A0A087XUD8_POEFO Loading...

Guanine deaminase

Catalyzes the hydrolytic deamination of guanine, producing xanthine and ammonia.

AlphaFold DB , UniProt , Accession A0A087XUD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low56.8Low239 Ų239130.6 Ų130.6100%1.17770%0.701SS**  088.10-74.1178.9-174.100106.8T3M1-T3 PolarHBondContact O-N 3.34Å
2E35.9Very low60Low196 Ų196130.3 Ų130.392%0.91668%0.682SS**  trans-78.2102.2170.6-80.7175.8152.400107.2S4E2-S4 PolarHBondContact O-N 2.97Å
3T37.3Very low62.8Low126 Ų126123.5 Ų123.577%0.77364%0.644SS**  trans-62.2101.7164.741.50000107.6M1 Q5M1-T3 PolarHBondContact O-N 3.34Å; T3-Q5 VanDerWaalsContact C-N 3.35Å; T3-Q5 PolarHBondContact O-N 3.39Å
4S40.2Very low65.3Low104 Ų104115 Ų11573%0.72760%0.6SS**  trans-49.5100.5161.2167.20000108.2E2 K6E2-S4 PolarHBondContact O-N 2.97Å; S4-K6 PolarHBondContact O-N 3.4Å
5Q40.3Very low67.4Low185 Ų185107.7 Ų107.786%0.86456%0.563SS**  trans-63.393.3163.7-82.1176-22.900105.8T3 S7T3-Q5 VanDerWaalsContact C-N 3.35Å; T3-Q5 PolarHBondContact O-N 3.39Å; Q5-S7 PolarHBondContact O-N 3.21Å
6K48.6Very low69.3Low181 Ų181104.5 Ų104.579%0.78754%0.541SS*.  trans-51.5113.1162.9-79.2-176.9175.6-1790105.6S4 V8S4-K6 PolarHBondContact O-N 3.4Å; K6-V8 PolarHBondContact O-N 3.25Å
7S51.3Low71Confident106 Ų10699.1 Ų99.174%0.74152%0.516SS*.  trans-58.3110173.667.80000106.3Q5 T9Q5-S7 PolarHBondContact O-N 3.21Å; S7-T9 PolarHBondContact O-N 2.61Å
8V67.1Low72.5Confident115 Ų11594.9 Ų94.970%0.69750%0.496SS*.  trans-64.6111.7177.5-179.10000105.7K6 D10K6-V8 PolarHBondContact O-N 3.25Å; V8-D10 PolarHBondContact O-N 3.32Å; V8-D10 VanDerWaalsContact O-N 3.11Å
9T80.3Confident73.9Confident54 Ų5490 Ų9033%0.33147%0.47SS..  trans-63.5113.4175.3-58.90000107.5S7 I11 D39 A45S7-T9 PolarHBondContact O-N 2.61Å; T9-I11 HydrophobicContact CG2-CD1 4.29Å; T9-I11 PolarHBondContact O-N 3.22Å; T9-D39 HydrophobicContact CG2-CB 3.64Å; T9-A45 HydrophobicContact CG2-CB 4.15Å
10D91.2Very high75.1Confident105 Ų10585.5 Ų85.556%0.56145%0.447SS*.  trans-69.7110.2180-18037.3000110.1V8 D39 S40V8-D10 PolarHBondContact O-N 3.32Å; V8-D10 VanDerWaalsContact O-N 3.11Å; D10-D39 CarbonylContact O-C 3.48Å; D10-D39 VanDerWaalsContact O-CA 3.27Å; D10-D39 WeakPolarHBondContact O-CA 3.42Å; D10-D39 WeakPolarHBondContact O-CB 3.44Å; D10-S40 PolarHBondContact O-N 3.11Å; D10-S40 VanDerWaalsContact OD2-CB 3.32Å; D10-S40 WeakPolarHBondContact OD2-CB 3.32Å; D10-S40 PolarHBondContact OD2-OG 3.48Å
11I95Very high76.3Confident26 Ų2681.8 Ų81.813%0.13343%0.427CS..EExtended strand (participates in β ladder)trans-85.2124.7-176.8-62.3-58.7000110.1T9 V14 A45 F46 F60T9-I11 HydrophobicContact CG2-CD1 4.29Å; T9-I11 PolarHBondContact O-N 3.22Å; I11-V14 HydrophobicContact CG2-CG2 3.57Å; I11-A45 HydrophobicContact CD1-CB 3.57Å; I11-F46 HydrophobicContact CD1-CD1 4.4Å; I11-F46 HydrophobicContact CD1-CE1 4.06Å; I11-F46 HydrophobicContact CG1-CE1 4.48Å; I11-F60 HydrophobicContact CD1-CB 4.29Å; I11-F60 HydrophobicContact CD1-CD1 4.01Å; I11-F60 HydrophobicContact CD1-CG 4.44Å; I11-F60 HydrophobicContact CG1-CB 3.85Å; I11-F60 HydrophobicContact CG1-CD1 4.43Å
12R95.1Very high79.2Confident127 Ų12770.4 Ų70.448%0.47937%0.371SS..EExtended strand (participates in β ladder)trans-77-49.8175.9-172-176.5-127.2137.115.8112.1V38R12-V38 WeakPolarHBondContact CB-O 3.48Å; R12-V38 PolarHBondContact N-O 3.25Å
13F96.7Very high82.1Confident41 Ų4161.6 Ų61.618%0.1833%0.331CS..EExtended strand (participates in β ladder)trans-156.1158.5178.363.6-96000110.9V38 F398 F440F13-V38 HydrophobicContact CD1-CB 4.29Å; F13-V38 HydrophobicContact CD2-CB 4.37Å; F13-V38 HydrophobicContact CD2-CG2 4.31Å; F13-V38 HydrophobicContact CE1-CB 3.85Å; F13-V38 HydrophobicContact CE1-CG1 4.01Å; F13-V38 HydrophobicContact CE1-CG2 4.21Å; F13-V38 HydrophobicContact CE2-CB 3.94Å; F13-V38 HydrophobicContact CE2-CG2 3.55Å; F13-V38 HydrophobicContact CZ-CB 3.66Å; F13-V38 HydrophobicContact CZ-CG1 4.05Å; F13-V38 HydrophobicContact CZ-CG2 3.49Å; F13-V38 VanDerWaalsContact CZ-CG2 3.49Å; F13-V38 PolarHBondContact N-O 2.65Å; F13-V38 PolarHBondContact O-N 3.35Å; F13-F398 HydrophobicContact CE2-CD1 4.27Å; F13-F398 AromaticContact CE2-CE1 3.9Å; F13-F398 HydrophobicContact CE2-CE1 3.9Å; F13-F398 HydrophobicContact CE2-CZ 4.33Å; F13-F398 AromaticContact CZ-CD1 3.67Å; F13-F398 HydrophobicContact CZ-CD1 3.67Å; F13-F398 AromaticContact CZ-CE1 3.67Å; F13-F398 HydrophobicContact CZ-CE1 3.67Å; F13-F398 HydrophobicContact CZ-CG 4.48Å; F13-F440 HydrophobicContact CE1-CE1 4.38Å; F13-F440 HydrophobicContact CZ-CD1 4.18Å; F13-F440 HydrophobicContact CZ-CE1 4.11Å
14V97.6Very high84.7Confident5 Ų558.9 Ų58.93%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-129.9133.2174.4-175.60000108.4I11 L35 L36 F46 F62 V67 T68I11-V14 HydrophobicContact CG2-CG2 3.57Å; V14-L35 HydrophobicContact CG1-CD2 3.96Å; V14-L36 WeakPolarHBondContact CA-O 3.32Å; V14-F46 HydrophobicContact CG1-CE2 4.3Å; V14-F46 HydrophobicContact CG1-CZ 3.99Å; V14-F46 HydrophobicContact CG2-CZ 3.94Å; V14-F62 HydrophobicContact CB-CD2 4.45Å; V14-F62 HydrophobicContact CB-CE2 4.42Å; V14-F62 HydrophobicContact CG1-CE2 4.21Å; V14-F62 HydrophobicContact CG1-CZ 4.27Å; V14-F62 HydrophobicContact CG2-CB 4.36Å; V14-F62 HydrophobicContact CG2-CD1 3.93Å; V14-F62 HydrophobicContact CG2-CD2 3.85Å; V14-F62 HydrophobicContact CG2-CE1 4.13Å; V14-F62 HydrophobicContact CG2-CE2 4.08Å; V14-F62 HydrophobicContact CG2-CG 3.79Å; V14-F62 HydrophobicContact CG2-CZ 4.21Å; V14-V67 HydrophobicContact CB-CG2 4.18Å; V14-V67 HydrophobicContact CG1-CG1 4.24Å; V14-V67 HydrophobicContact CG1-CG2 4.08Å; V14-V67 WeakPolarHBondContact O-CA 3.39Å; V14-T68 PolarHBondContact O-N 3.39Å
15C97.6Very high87.3Confident6 Ų661.4 Ų61.44%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-114.3143.7175.3-63.90000109.8F19 L35 L36 T68 L70 F76C15-F19 HydrophobicContact CB-CZ 4.01Å; C15-L35 WeakPolarHBondContact O-CA 3.49Å; C15-L36 PolarHBondContact N-O 2.88Å; C15-L36 PolarHBondContact O-N 3.41Å; C15-T68 CarbonylContact C-O 3.54Å; C15-T68 WeakPolarHBondContact CA-O 3.2Å; C15-L70 HydrophobicContact CB-CD1 4.11Å; C15-F76 HydrophobicContact CB-CD2 4.49Å; C15-F76 HydrophobicContact CB-CE2 3.99Å
16R98Very high89.9Confident56 Ų5656.9 Ų56.921%0.21130%0.3CS..EExtended strand (participates in β ladder)trans-123.1131.6171.7-176.9176.5176.8179.50.3110.7D33 A34 L35 V67 T68 L70R16-D33 IonicContact CZ-OD1 3.23Å; R16-D33 IonicContact CZ-OD2 3.97Å; R16-D33 IonicContact NE-OD1 3.11Å; R16-D33 PolarHBondContact NE-OD1 3.01Å; R16-D33 IonicContact NE-OD2 3.71Å; R16-D33 IonicContact NH2-OD1 2.63Å; R16-D33 PolarHBondContact NH2-OD1 3.46Å; R16-D33 IonicContact NH2-OD2 3.4Å; R16-D33 PolarHBondContact NH2-OD2 3.41Å; R16-A34 CarbonylContact C-O 3.5Å; R16-A34 WeakPolarHBondContact CA-O 3.43Å; R16-L35 HydrophobicContact CB-CD2 3.67Å; R16-L35 HydrophobicContact CB-CG 4.43Å; R16-L35 HydrophobicContact CG-CD2 4.02Å; R16-L35 HydrophobicContact CG-CG 4.33Å; R16-V67 HydrophobicContact CB-CG1 3.64Å; R16-T68 PolarHBondContact N-O 3.17Å; R16-L70 VanDerWaalsContact O-CD1 3.3Å; R16-L70 WeakPolarHBondContact O-CD1 3.4Å; R16-L70 PolarHBondContact O-N 2.86Å
17G97.6Very high92.2Very high12 Ų1249.5 Ų49.512%0.12427%0.272CS..EExtended strand (participates in β ladder)trans155.3-150.9178.700000112.3F19 D33 A34G17-F19 WeakPolarHBondContact O-CD2 3.5Å; G17-F19 WeakPolarHBondContact O-CE2 3.47Å; G17-D33 PolarHBondContact O-N 3.38Å; G17-A34 PolarHBondContact N-O 2.9Å; G17-A34 PolarHBondContact O-N 2.85Å
18T98.5Very high94.5Very high25 Ų2545.8 Ų45.815%0.15324%0.244CC..EExtended strand (participates in β ladder)trans-88.1130.1-178.9-57.20000111.3V20 I30 L31 F75 F76 P420T18-V20 HydrophobicContact CG2-CG2 4.04Å; T18-I30 HydrophobicContact CG2-CG2 4.05Å; T18-L31 WeakPolarHBondContact CA-O 3.37Å; T18-F75 HydrophobicContact CG2-CB 3.97Å; T18-F75 CarbonylContact O-C 3.39Å; T18-F75 VanDerWaalsContact O-CA 3.3Å; T18-F75 WeakPolarHBondContact O-CA 3.17Å; T18-F76 PolarHBondContact O-N 2.92Å; T18-P420 HydrophobicContact CG2-CB 3.88Å; T18-P420 HydrophobicContact CG2-CG 4.07Å
19F98.6Very high96Very high1 Ų143.1 Ų43.10%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-121.2133.5173.2-61.7-100.9000109.5C15 G17 L31 A34 L36 F76 F392C15-F19 HydrophobicContact CB-CZ 4.01Å; G17-F19 WeakPolarHBondContact O-CD2 3.5Å; G17-F19 WeakPolarHBondContact O-CE2 3.47Å; F19-L31 HydrophobicContact CB-CB 4.37Å; F19-L31 PolarHBondContact N-O 3.24Å; F19-L31 PolarHBondContact O-N 2.89Å; F19-A34 HydrophobicContact CD2-CB 3.86Å; F19-A34 HydrophobicContact CE2-CB 4.26Å; F19-A34 WeakPolarHBondContact CE2-O 3.37Å; F19-L36 HydrophobicContact CD1-CB 4.24Å; F19-L36 HydrophobicContact CD1-CD1 3.79Å; F19-L36 HydrophobicContact CE1-CB 3.49Å; F19-L36 VanDerWaalsContact CE1-CB 3.49Å; F19-L36 HydrophobicContact CE1-CD1 3.69Å; F19-L36 HydrophobicContact CE1-CG 4.13Å; F19-L36 HydrophobicContact CE2-CB 4.2Å; F19-L36 HydrophobicContact CZ-CB 3.46Å; F19-L36 VanDerWaalsContact CZ-CB 3.46Å; F19-L36 HydrophobicContact CZ-CD1 4.49Å; F19-F76 CarbonylContact C-O 3.58Å; F19-F76 WeakPolarHBondContact CA-O 3.31Å; F19-F76 HydrophobicContact CD1-CB 3.53Å; F19-F76 HydrophobicContact CD1-CD2 4.31Å; F19-F76 HydrophobicContact CD1-CG 4.25Å; F19-F76 HydrophobicContact CE1-CB 3.8Å; F19-F76 AromaticContact CE1-CD2 3.68Å; F19-F76 HydrophobicContact CE1-CD2 3.68Å; F19-F76 HydrophobicContact CE1-CG 4.01Å; F19-F76 HydrophobicContact CG-CB 4.31Å; F19-F76 HydrophobicContact CZ-CD2 4.14Å; F19-F392 HydrophobicContact CB-CD2 4.03Å; F19-F392 HydrophobicContact CB-CE2 4.05Å; F19-F392 HydrophobicContact CD1-CD2 4.22Å; F19-F392 HydrophobicContact CD1-CE2 4.06Å; F19-F392 HydrophobicContact CD1-CZ 4.41Å
20V98.6Very high96.8Very high0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-127.4119.5-173.9-177.50000108.3T18 L28 I30 F75 F76 M77 P78 F372 L424T18-V20 HydrophobicContact CG2-CG2 4.04Å; V20-L28 HydrophobicContact CG1-CD1 3.42Å; V20-L28 VanDerWaalsContact CG1-CD1 3.42Å; V20-I30 HydrophobicContact CG1-CG1 4.3Å; V20-I30 HydrophobicContact CG2-CG1 4.39Å; V20-I30 HydrophobicContact CG2-CG2 4.42Å; V20-F75 HydrophobicContact CB-CD2 4.37Å; V20-F75 HydrophobicContact CG2-CB 4.18Å; V20-F75 HydrophobicContact CG2-CD2 4Å; V20-F75 HydrophobicContact CG2-CG 4.23Å; V20-F76 PolarHBondContact N-O 2.92Å; V20-M77 VanDerWaalsContact O-CA 3.32Å; V20-M77 WeakPolarHBondContact O-CA 3.3Å; V20-P78 WeakPolarHBondContact O-CD 3.32Å; V20-F372 HydrophobicContact CG1-CE1 4.33Å; V20-F372 HydrophobicContact CG1-CZ 4.03Å; V20-L424 HydrophobicContact CG1-CD1 4.14Å; V20-L424 HydrophobicContact CG1-CD2 3.52Å; V20-L424 HydrophobicContact CG1-CG 4.29Å
21H98.8Very high97.1Very high7 Ų740 Ų403%0.03221%0.205CC..EExtended strand (participates in β ladder)trans-150.6-177.3177.969.9-161.5000112.6Q29 P78 N391 F392H21-Q29 PolarHBondContact N-O 2.77Å; H21-Q29 PolarHBondContact NE2-OE1 3.3Å; H21-Q29 VanDerWaalsContact NE2-OE1 3.1Å; H21-Q29 PolarHBondContact O-N 3.2Å; H21-P78 HydrophobicContact CB-CG 3.65Å; H21-N391 HydrophobicContact CB-CB 4.17Å; H21-F392 HydrophobicContact CB-CD2 3.8Å; H21-F392 HydrophobicContact CB-CE2 4.18Å; H21-F392 AromaticContact CG-CD2 3.91Å; H21-F392 VanDerWaalsContact ND1-CB 3.27Å; H21-F392 WeakPolarHBondContact ND1-CB 3.46Å; H21-F392 AromaticContact ND1-CD2 3.38Å; H21-F392 WeakPolarHBondContact ND1-CD2 3.47Å; H21-F392 AromaticContact ND1-CG 3.63Å; H21-F392 PolarHBondContact ND1-N 3.02Å
22S98.6Very high97.2Very high0 Ų045 Ų450%023%0.228CC..  trans-111.6153.4169.7-50.70000111.2A27 R373 N391S22-A27 WeakPolarHBondContact CB-O 3.24Å; S22-A27 PolarHBondContact OG-O 3.11Å; S22-R373 WeakPolarHBondContact OG-CA 3.32Å; S22-R373 WeakPolarHBondContact OG-CB 3.32Å; S22-N391 WeakPolarHBondContact O-CB 3.33Å; S22-N391 PolarHBondContact O-ND2 3.39Å
23T97.4Very high97.3Very high12 Ų1242.6 Ų42.67%0.07422%0.224CC..  trans-118.8-178.7172.669.20000110.3E25 E26 Q29 L377T23-E25 PolarHBondContact O-N 2.88Å; T23-E25 PolarHBondContact OG1-N 3.1Å; T23-E25 PolarHBondContact OG1-OE2 3.42Å; T23-E26 PolarHBondContact N-O 3.19Å; T23-E26 WeakPolarHBondContact OG1-CB 3.27Å; T23-E26 PolarHBondContact OG1-N 2.97Å; T23-Q29 HydrophobicContact CG2-CB 4.46Å; T23-L377 VanDerWaalsContact O-CD2 3.3Å; T23-L377 WeakPolarHBondContact O-CD2 3.49Å
24A92.4Very high97.4Very high68 Ų6840.9 Ų40.956%0.56222%0.218SC*.SBendtrans-67.9-30.417500000111.1
25E93.7Very high97.4Very high157 Ų15740.7 Ų40.773%0.73422%0.216SC*.SBendtrans-92.9-34.7-175.5-56.476.3-167.300112.6T23T23-E25 PolarHBondContact O-N 2.88Å; T23-E25 PolarHBondContact OG1-N 3.1Å; T23-E25 PolarHBondContact OG1-OE2 3.42Å
26E95.9Very high97.4Very high91 Ų9140.4 Ų40.443%0.42521%0.214SC..  trans-122129.9-171.5-61.1-179.915800111.3T23 L28 Q29T23-E26 PolarHBondContact N-O 3.19Å; T23-E26 WeakPolarHBondContact OG1-CB 3.27Å; T23-E26 PolarHBondContact OG1-N 2.97Å; E26-L28 PolarHBondContact O-N 3.02Å; E26-Q29 PolarHBondContact OE2-NE2 2.89Å
27A96.8Very high97.4Very high25 Ų2537.7 Ų37.721%0.20720%0.204CC..SBendtrans-66.5-29.5175.600000112.3S22 E369S22-A27 WeakPolarHBondContact CB-O 3.24Å; S22-A27 PolarHBondContact OG-O 3.11Å; A27-E369 HydrophobicContact CB-CB 3.86Å
28L98.4Very high97.5Very high29 Ų2937.1 Ų37.115%0.15220%0.198CC..  trans-145.6123.9177.2179.863.9000110.1V20 E26 I30 F368 E369 F372 Q421 L424V20-L28 HydrophobicContact CG1-CD1 3.42Å; V20-L28 VanDerWaalsContact CG1-CD1 3.42Å; E26-L28 PolarHBondContact O-N 3.02Å; L28-I30 HydrophobicContact CD1-CG1 4.29Å; L28-I30 HydrophobicContact CD2-CD1 4.21Å; L28-I30 HydrophobicContact CD2-CG1 4.44Å; L28-I30 HydrophobicContact CG-CD1 4.47Å; L28-I30 HydrophobicContact CG-CG1 4.16Å; L28-F368 HydrophobicContact CD2-CE2 3.98Å; L28-F368 HydrophobicContact CD2-CZ 4.28Å; L28-E369 HydrophobicContact CB-CB 3.79Å; L28-E369 HydrophobicContact CB-CG 3.62Å; L28-E369 HydrophobicContact CD2-CG 3.63Å; L28-E369 HydrophobicContact CG-CG 4.26Å; L28-F372 HydrophobicContact CD1-CD1 3.99Å; L28-F372 HydrophobicContact CD1-CE1 3.88Å; L28-Q421 HydrophobicContact CD2-CG 4.06Å; L28-L424 HydrophobicContact CD1-CD2 3.56Å; L28-L424 HydrophobicContact CD2-CD2 4.02Å; L28-L424 HydrophobicContact CG-CD2 4.48Å
29Q98.4Very high97.4Very high59 Ų5936.9 Ų36.928%0.27620%0.196SC..EExtended strand (participates in β ladder)trans-122.6131.9169.3177.7172.294.300108.6H21 T23 E26 L31H21-Q29 PolarHBondContact N-O 2.77Å; H21-Q29 PolarHBondContact NE2-OE1 3.3Å; H21-Q29 VanDerWaalsContact NE2-OE1 3.1Å; H21-Q29 PolarHBondContact O-N 3.2Å; T23-Q29 HydrophobicContact CG2-CB 4.46Å; E26-Q29 PolarHBondContact OE2-NE2 2.89Å; Q29-L31 HydrophobicContact CG-CD2 3.96Å; Q29-L31 HydrophobicContact CG-CG 4.34Å
30I98.4Very high97.3Very high45 Ų4539.4 Ų39.423%0.23121%0.214CC..EExtended strand (participates in β ladder)trans-118.7121.1-179.9-58.5179.9000107.8T18 V20 L28 E32 P420 Q421T18-I30 HydrophobicContact CG2-CG2 4.05Å; V20-I30 HydrophobicContact CG1-CG1 4.3Å; V20-I30 HydrophobicContact CG2-CG1 4.39Å; V20-I30 HydrophobicContact CG2-CG2 4.42Å; L28-I30 HydrophobicContact CD1-CG1 4.29Å; L28-I30 HydrophobicContact CD2-CD1 4.21Å; L28-I30 HydrophobicContact CD2-CG1 4.44Å; L28-I30 HydrophobicContact CG-CD1 4.47Å; L28-I30 HydrophobicContact CG-CG1 4.16Å; I30-E32 HydrophobicContact CG2-CG 4Å; I30-P420 HydrophobicContact CD1-CB 4.3Å; I30-P420 HydrophobicContact CG2-CB 3.78Å; I30-P420 HydrophobicContact CG2-CG 4.34Å; I30-Q421 HydrophobicContact CD1-CB 3.61Å; I30-Q421 HydrophobicContact CD1-CG 4.32Å
31L97.9Very high97.1Very high48 Ų4847.5 Ų47.525%0.25125%0.249SC..EExtended strand (participates in β ladder)trans-107.9100.2177.7-54.1175.5000107.7T18 F19 Q29 A34 I47T18-L31 WeakPolarHBondContact CA-O 3.37Å; F19-L31 HydrophobicContact CB-CB 4.37Å; F19-L31 PolarHBondContact N-O 3.24Å; F19-L31 PolarHBondContact O-N 2.89Å; Q29-L31 HydrophobicContact CG-CD2 3.96Å; Q29-L31 HydrophobicContact CG-CG 4.34Å; L31-A34 HydrophobicContact CB-CB 3.84Å; L31-I47 HydrophobicContact CD1-CD1 3.35Å; L31-I47 HydrophobicContact CD1-CG1 4.18Å
32E97.1Very high97.1Very high132 Ų13247.2 Ų47.262%0.61725%0.247SC*.EExtended strand (participates in β ladder)trans-82.7144.1176.8-61.7-172.9-119.300110.5I30 A34 P420I30-E32 HydrophobicContact CG2-CG 4Å; E32-A34 PolarHBondContact O-N 2.72Å; E32-A34 VanDerWaalsContact O-N 3.14Å; E32-P420 HydrophobicContact CG-CG 4.06Å
33D96.8Very high97.1Very high76 Ų7649.9 Ų49.941%0.40626%0.259SS..EExtended strand (participates in β ladder)trans49.836.4-178-16635.5000114R16 G17 G50R16-D33 IonicContact CZ-OD1 3.23Å; R16-D33 IonicContact CZ-OD2 3.97Å; R16-D33 IonicContact NE-OD1 3.11Å; R16-D33 PolarHBondContact NE-OD1 3.01Å; R16-D33 IonicContact NE-OD2 3.71Å; R16-D33 IonicContact NH2-OD1 2.63Å; R16-D33 PolarHBondContact NH2-OD1 3.46Å; R16-D33 IonicContact NH2-OD2 3.4Å; R16-D33 PolarHBondContact NH2-OD2 3.41Å; G17-D33 PolarHBondContact O-N 3.38Å; D33-G50 WeakPolarHBondContact O-CA 3.19Å; D33-G50 PolarHBondContact O-N 3.32Å
34A98.1Very high97.1Very high5 Ų549.4 Ų49.44%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-89.5159.3-178.600000112.1R16 G17 F19 L31 E32 G48R16-A34 CarbonylContact C-O 3.5Å; R16-A34 WeakPolarHBondContact CA-O 3.43Å; G17-A34 PolarHBondContact N-O 2.9Å; G17-A34 PolarHBondContact O-N 2.85Å; F19-A34 HydrophobicContact CD2-CB 3.86Å; F19-A34 HydrophobicContact CE2-CB 4.26Å; F19-A34 WeakPolarHBondContact CE2-O 3.37Å; L31-A34 HydrophobicContact CB-CB 3.84Å; E32-A34 PolarHBondContact O-N 2.72Å; E32-A34 VanDerWaalsContact O-N 3.14Å; A34-G48 CarbonylContact C-O 3.59Å; A34-G48 VanDerWaalsContact CA-O 3.3Å; A34-G48 WeakPolarHBondContact CA-O 3.28Å; A34-G48 WeakPolarHBondContact CB-O 3.14Å
35L98Very high97.4Very high0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-111.2128.5173.3-77.1162.6000109.6V14 C15 R16 F46 I47 G48 L53 L56 V67V14-L35 HydrophobicContact CG1-CD2 3.96Å; C15-L35 WeakPolarHBondContact O-CA 3.49Å; R16-L35 HydrophobicContact CB-CD2 3.67Å; R16-L35 HydrophobicContact CB-CG 4.43Å; R16-L35 HydrophobicContact CG-CD2 4.02Å; R16-L35 HydrophobicContact CG-CG 4.33Å; L35-F46 HydrophobicContact CB-CE2 4.29Å; L35-I47 CarbonylContact O-C 3.53Å; L35-I47 VanDerWaalsContact O-CA 3.29Å; L35-I47 WeakPolarHBondContact O-CA 3.4Å; L35-G48 PolarHBondContact N-O 2.97Å; L35-G48 PolarHBondContact O-N 2.89Å; L35-L53 VanDerWaalsContact CD1-CA 3.47Å; L35-L53 HydrophobicContact CD1-CB 3.79Å; L35-L53 HydrophobicContact CD1-CD1 3.91Å; L35-L53 HydrophobicContact CD1-CG 4.46Å; L35-L53 HydrophobicContact CD2-CD1 4Å; L35-L56 HydrophobicContact CB-CD1 4.19Å; L35-L56 HydrophobicContact CD1-CD1 4.04Å; L35-V67 HydrophobicContact CD2-CG1 3.92Å
36L98.4Very high97.6Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-126.8123.7174-170.7156000109.8V14 C15 F19 V38 I44 I47 F392 F398V14-L36 WeakPolarHBondContact CA-O 3.32Å; C15-L36 PolarHBondContact N-O 2.88Å; C15-L36 PolarHBondContact O-N 3.41Å; F19-L36 HydrophobicContact CD1-CB 4.24Å; F19-L36 HydrophobicContact CD1-CD1 3.79Å; F19-L36 HydrophobicContact CE1-CB 3.49Å; F19-L36 VanDerWaalsContact CE1-CB 3.49Å; F19-L36 HydrophobicContact CE1-CD1 3.69Å; F19-L36 HydrophobicContact CE1-CG 4.13Å; F19-L36 HydrophobicContact CE2-CB 4.2Å; F19-L36 HydrophobicContact CZ-CB 3.46Å; F19-L36 VanDerWaalsContact CZ-CB 3.46Å; F19-L36 HydrophobicContact CZ-CD1 4.49Å; L36-V38 HydrophobicContact CD2-CG2 3.56Å; L36-I44 HydrophobicContact CD1-CG2 4.36Å; L36-I44 HydrophobicContact CD2-CG1 4.48Å; L36-I44 HydrophobicContact CD2-CG2 4.29Å; L36-I44 HydrophobicContact CG-CG2 4.15Å; L36-I47 HydrophobicContact CD1-CD1 4.26Å; L36-F392 HydrophobicContact CD1-CB 3.92Å; L36-F392 HydrophobicContact CD1-CD1 4.05Å; L36-F392 HydrophobicContact CD1-CG 4Å; L36-F398 HydrophobicContact CD1-CD2 4.45Å; L36-F398 HydrophobicContact CD1-CE2 4.05Å; L36-F398 HydrophobicContact CD2-CD2 3.75Å; L36-F398 HydrophobicContact CD2-CE2 3.58Å; L36-F398 HydrophobicContact CD2-CZ 4.46Å; L36-F398 HydrophobicContact CG-CE2 4.49Å
37G97.9Very high97.6Very high0 Ų038.4 Ų38.40%020%0.197CC..EExtended strand (participates in β ladder)trans-105.6136175.900000112.1A45 F46G37-A45 PolarHBondContact O-N 2.99Å; G37-F46 PolarHBondContact N-O 2.89Å; G37-F46 VanDerWaalsContact N-O 3.12Å
38V98.3Very high97.6Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-114.9130.5175.9-178.10000109.3R12 F13 L36 K43 F398R12-V38 WeakPolarHBondContact CB-O 3.48Å; R12-V38 PolarHBondContact N-O 3.25Å; F13-V38 HydrophobicContact CD1-CB 4.29Å; F13-V38 HydrophobicContact CD2-CB 4.37Å; F13-V38 HydrophobicContact CD2-CG2 4.31Å; F13-V38 HydrophobicContact CE1-CB 3.85Å; F13-V38 HydrophobicContact CE1-CG1 4.01Å; F13-V38 HydrophobicContact CE1-CG2 4.21Å; F13-V38 HydrophobicContact CE2-CB 3.94Å; F13-V38 HydrophobicContact CE2-CG2 3.55Å; F13-V38 HydrophobicContact CZ-CB 3.66Å; F13-V38 HydrophobicContact CZ-CG1 4.05Å; F13-V38 HydrophobicContact CZ-CG2 3.49Å; F13-V38 VanDerWaalsContact CZ-CG2 3.49Å; F13-V38 PolarHBondContact N-O 2.65Å; F13-V38 PolarHBondContact O-N 3.35Å; L36-V38 HydrophobicContact CD2-CG2 3.56Å; V38-K43 CarbonylContact C-O 3.55Å; V38-K43 VanDerWaalsContact CA-O 3.3Å; V38-K43 WeakPolarHBondContact CA-O 3.45Å; V38-F398 HydrophobicContact CG1-CB 3.98Å; V38-F398 HydrophobicContact CG2-CB 3.75Å; V38-F398 HydrophobicContact CG2-CD1 3.97Å; V38-F398 HydrophobicContact CG2-CD2 3.74Å; V38-F398 HydrophobicContact CG2-CE1 4.48Å; V38-F398 HydrophobicContact CG2-CE2 4.29Å; V38-F398 HydrophobicContact CG2-CG 3.55Å
39D97Very high97.5Very high20 Ų2042.8 Ų42.811%0.10722%0.217CC..EExtended strand (participates in β ladder)trans-77.9172.2179.678.28.4000113.1T9 D10 K41 G42 K43 A45T9-D39 HydrophobicContact CG2-CB 3.64Å; D10-D39 CarbonylContact O-C 3.48Å; D10-D39 VanDerWaalsContact O-CA 3.27Å; D10-D39 WeakPolarHBondContact O-CA 3.42Å; D10-D39 WeakPolarHBondContact O-CB 3.44Å; D39-K41 PolarHBondContact O-N 3.46Å; D39-K41 VanDerWaalsContact OD1-C 3.28Å; D39-K41 VanDerWaalsContact OD1-CA 3.27Å; D39-K41 WeakPolarHBondContact OD1-CA 3.49Å; D39-K41 VanDerWaalsContact OD1-CB 3.32Å; D39-K41 WeakPolarHBondContact OD1-CB 3.29Å; D39-K41 PolarHBondContact OD1-N 2.71Å; D39-G42 PolarHBondContact O-N 2.9Å; D39-G42 PolarHBondContact OD1-N 3.24Å; D39-K43 PolarHBondContact N-O 3.02Å; D39-K43 PolarHBondContact OD1-N 3.45Å; D39-A45 HydrophobicContact CB-CB 4.34Å
40S95.7Very high97.3Very high53 Ų5340.3 Ų40.337%0.37121%0.207SC..THydrogen-bonded Turntrans-65-17.4178.658.60000114.3D10 G42D10-S40 PolarHBondContact O-N 3.11Å; D10-S40 VanDerWaalsContact OD2-CB 3.32Å; D10-S40 WeakPolarHBondContact OD2-CB 3.32Å; D10-S40 PolarHBondContact OD2-OG 3.48Å; S40-G42 VanDerWaalsContact C-N 3.33Å
41K96.1Very high97.1Very high171 Ų17143.7 Ų43.774%0.74323%0.23SC*.THydrogen-bonded Turntrans-86.1-5.1172.3-60.5176.8-177.4171.80112.7D39 K43D39-K41 PolarHBondContact O-N 3.46Å; D39-K41 VanDerWaalsContact OD1-C 3.28Å; D39-K41 VanDerWaalsContact OD1-CA 3.27Å; D39-K41 WeakPolarHBondContact OD1-CA 3.49Å; D39-K41 VanDerWaalsContact OD1-CB 3.32Å; D39-K41 WeakPolarHBondContact OD1-CB 3.29Å; D39-K41 PolarHBondContact OD1-N 2.71Å; K41-K43 HydrophobicContact CB-CG 4.41Å
42G97.4Very high97Very high0 Ų043.3 Ų43.30%023%0.228CC..SBendtrans84.116.5-179.600000114.5D39 S40 F398 A442D39-G42 PolarHBondContact O-N 2.9Å; D39-G42 PolarHBondContact OD1-N 3.24Å; S40-G42 VanDerWaalsContact C-N 3.33Å; G42-F398 PolarHBondContact O-N 3.44Å; G42-A442 VanDerWaalsContact CA-O 3.31Å; G42-A442 WeakPolarHBondContact CA-O 3.44Å; G42-A442 CarbonylContact O-C 3.46Å
43K98.3Very high96.8Very high56 Ų5638.8 Ų38.824%0.24321%0.208CC..BIsolated β-bridgetrans-90.8147176.1-59.5-57.1-153.1159.60111.2V38 D39 K41 A45 G395 K396 D397V38-K43 CarbonylContact C-O 3.55Å; V38-K43 VanDerWaalsContact CA-O 3.3Å; V38-K43 WeakPolarHBondContact CA-O 3.45Å; D39-K43 PolarHBondContact N-O 3.02Å; D39-K43 PolarHBondContact OD1-N 3.45Å; K41-K43 HydrophobicContact CB-CG 4.41Å; K43-A45 PolarHBondContact O-N 3.46Å; K43-A45 VanDerWaalsContact O-N 3.17Å; K43-G395 WeakPolarHBondContact CD-O 3.49Å; K43-G395 WeakPolarHBondContact CE-O 3.24Å; K43-G395 PolarHBondContact NZ-O 3.14Å; K43-K396 CarbonylContact C-O 3.55Å; K43-K396 VanDerWaalsContact CA-O 3.28Å; K43-K396 WeakPolarHBondContact CA-O 3.39Å; K43-D397 WeakPolarHBondContact CD-OD1 3.32Å; K43-D397 WeakPolarHBondContact CE-OD1 3.1Å; K43-D397 IonicContact NZ-OD1 3.96Å; K43-D397 PolarHBondContact NZ-OD1 3.07Å
44I98.6Very high96.6Very high2 Ų241.9 Ų41.91%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-68.2111.1169.1-58.7174.7000107.7L36 F392 V394 G395 K396 F398L36-I44 HydrophobicContact CD1-CG2 4.36Å; L36-I44 HydrophobicContact CD2-CG1 4.48Å; L36-I44 HydrophobicContact CD2-CG2 4.29Å; L36-I44 HydrophobicContact CG-CG2 4.15Å; I44-F392 HydrophobicContact CD1-CB 4.11Å; I44-F392 HydrophobicContact CD1-CD1 4.05Å; I44-V394 HydrophobicContact CG2-CG2 4.48Å; I44-G395 PolarHBondContact O-N 2.85Å; I44-K396 PolarHBondContact N-O 3.16Å; I44-F398 HydrophobicContact CD1-CD2 4.25Å; I44-F398 HydrophobicContact CG1-CB 4.16Å; I44-F398 HydrophobicContact CG1-CD2 4.04Å
45A98Very high96.5Very high18 Ų1847.7 Ų47.715%0.14924%0.241CC..EExtended strand (participates in β ladder)trans-85-36.7-176.800000112.1T9 I11 G37 D39 K43 F60 V394T9-A45 HydrophobicContact CG2-CB 4.15Å; I11-A45 HydrophobicContact CD1-CB 3.57Å; G37-A45 PolarHBondContact O-N 2.99Å; D39-A45 HydrophobicContact CB-CB 4.34Å; K43-A45 PolarHBondContact O-N 3.46Å; K43-A45 VanDerWaalsContact O-N 3.17Å; A45-F60 HydrophobicContact CB-CE1 4.34Å; A45-V394 WeakPolarHBondContact O-CG1 3.43Å
46F97.6Very high96.3Very high10 Ų1047.9 Ų47.94%0.04424%0.242CC..EExtended strand (participates in β ladder)trans-156.2157.6176.662.6-97.6000111.1I11 V14 L35 G37 L56 F60 F62I11-F46 HydrophobicContact CD1-CD1 4.4Å; I11-F46 HydrophobicContact CD1-CE1 4.06Å; I11-F46 HydrophobicContact CG1-CE1 4.48Å; V14-F46 HydrophobicContact CG1-CE2 4.3Å; V14-F46 HydrophobicContact CG1-CZ 3.99Å; V14-F46 HydrophobicContact CG2-CZ 3.94Å; L35-F46 HydrophobicContact CB-CE2 4.29Å; G37-F46 PolarHBondContact N-O 2.89Å; G37-F46 VanDerWaalsContact N-O 3.12Å; F46-L56 HydrophobicContact CB-CD2 4.4Å; F46-L56 HydrophobicContact CD2-CD1 3.86Å; F46-L56 HydrophobicContact CD2-CD2 3.99Å; F46-L56 HydrophobicContact CD2-CG 4.41Å; F46-L56 HydrophobicContact CE2-CB 4.37Å; F46-L56 HydrophobicContact CE2-CD1 3.86Å; F46-L56 HydrophobicContact CE2-CD2 4.45Å; F46-L56 HydrophobicContact CE2-CG 4.46Å; F46-L56 HydrophobicContact CG-CD2 4.13Å; F46-F60 HydrophobicContact CB-CE1 4.49Å; F46-F60 HydrophobicContact CB-CE2 3.76Å; F46-F60 HydrophobicContact CB-CZ 3.71Å; F46-F60 HydrophobicContact CD1-CB 4.4Å; F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CD2 3.4Å; F46-F60 HydrophobicContact CD1-CD2 3.4Å; F46-F60 AromaticContact CD1-CE1 3.84Å; F46-F60 HydrophobicContact CD1-CE1 3.84Å; F46-F60 AromaticContact CD1-CE2 3.42Å; F46-F60 HydrophobicContact CD1-CE2 3.42Å; F46-F60 VanDerWaalsContact CD1-CE2 3.42Å; F46-F60 AromaticContact CD1-CG 3.61Å; F46-F60 HydrophobicContact CD1-CG 3.61Å; F46-F60 AromaticContact CD1-CZ 3.65Å; F46-F60 HydrophobicContact CD1-CZ 3.65Å; F46-F60 HydrophobicContact CE1-CB 4.02Å; F46-F60 HydrophobicContact CE1-CD1 4.25Å; F46-F60 AromaticContact CE1-CD2 3.7Å; F46-F60 HydrophobicContact CE1-CD2 3.7Å; F46-F60 HydrophobicContact CE1-CE2 4.21Å; F46-F60 AromaticContact CE1-CG 3.73Å; F46-F60 HydrophobicContact CE1-CG 3.73Å; F46-F60 HydrophobicContact CG-CD2 4.1Å; F46-F60 AromaticContact CG-CE2 3.77Å; F46-F60 HydrophobicContact CG-CE2 3.77Å; F46-F60 HydrophobicContact CG-CZ 4.06Å; F46-F62 HydrophobicContact CE1-CD1 4.31Å; F46-F62 AromaticContact CE1-CE1 3.81Å; F46-F62 HydrophobicContact CE1-CE1 3.81Å; F46-F62 HydrophobicContact CE2-CE1 4.48Å; F46-F62 HydrophobicContact CZ-CD1 4.25Å; F46-F62 AromaticContact CZ-CE1 3.47Å; F46-F62 HydrophobicContact CZ-CE1 3.47Å; F46-F62 VanDerWaalsContact CZ-CE1 3.47Å; F46-F62 AromaticContact CZ-CZ 3.94Å; F46-F62 HydrophobicContact CZ-CZ 3.94Å
47I97.4Very high96.1Very high57 Ų5749.1 Ų49.129%0.29225%0.251SS..EExtended strand (participates in β ladder)trans-133.2137.8162.2-164.4164.8000107.7L31 L35 L36 F392 V394L31-I47 HydrophobicContact CD1-CD1 3.35Å; L31-I47 HydrophobicContact CD1-CG1 4.18Å; L35-I47 CarbonylContact O-C 3.53Å; L35-I47 VanDerWaalsContact O-CA 3.29Å; L35-I47 WeakPolarHBondContact O-CA 3.4Å; L36-I47 HydrophobicContact CD1-CD1 4.26Å; I47-F392 HydrophobicContact CD1-CB 4.22Å; I47-V394 HydrophobicContact CG2-CG2 4.35Å
48G96.1Very high95.9Very high15 Ų1555.6 Ų55.616%0.15528%0.281CS..EExtended strand (participates in β ladder)trans-158.9177.1-178.300000112.3A34 L35A34-G48 CarbonylContact C-O 3.59Å; A34-G48 VanDerWaalsContact CA-O 3.3Å; A34-G48 WeakPolarHBondContact CA-O 3.28Å; A34-G48 WeakPolarHBondContact CB-O 3.14Å; L35-G48 PolarHBondContact N-O 2.97Å; L35-G48 PolarHBondContact O-N 2.89Å
49E96.8Very high95.6Very high131 Ų13159.3 Ų59.361%0.61231%0.307SS*.EExtended strand (participates in β ladder)trans-82.4157.8179.1-64.7-178.2-176.300111.2T51 D52E49-T51 WeakPolarHBondContact CB-OG1 3.37Å; E49-T51 PolarHBondContact O-N 3.43Å; E49-T51 VanDerWaalsContact O-N 3.16Å; E49-D52 PolarHBondContact N-OD2 3.15Å; E49-D52 VanDerWaalsContact O-CB 3.26Å; E49-D52 WeakPolarHBondContact O-CB 3.5Å; E49-D52 PolarHBondContact O-N 3.1Å
50G92.8Very high95.4Very high7 Ų760.5 Ų60.57%0.07231%0.311CS..G310 helixtrans-60.7-26.9179.200000113.5D33 D52 L53D33-G50 WeakPolarHBondContact O-CA 3.19Å; D33-G50 PolarHBondContact O-N 3.32Å; G50-D52 PolarHBondContact O-N 2.82Å; G50-L53 WeakPolarHBondContact O-CB 3.39Å; G50-L53 PolarHBondContact O-N 3.36Å
51T95.7Very high95.2Very high117 Ų11761 Ų6172%0.71833%0.325SS*.G310 helixtrans-64.7-23.6172.552.50000112.8E49 L53E49-T51 WeakPolarHBondContact CB-OG1 3.37Å; E49-T51 PolarHBondContact O-N 3.43Å; E49-T51 VanDerWaalsContact O-N 3.16Å; T51-L53 VanDerWaalsContact C-N 3.29Å; T51-L53 PolarHBondContact O-N 3.09Å
52D94.1Very high95Very high40 Ų4054 Ų5421%0.21429%0.294CS..G310 helixtrans-82.21.2179.7-74.8-49.8000114E49 G50 Q54 R55 L56E49-D52 PolarHBondContact N-OD2 3.15Å; E49-D52 VanDerWaalsContact O-CB 3.26Å; E49-D52 WeakPolarHBondContact O-CB 3.5Å; E49-D52 PolarHBondContact O-N 3.1Å; G50-D52 PolarHBondContact O-N 2.82Å; D52-Q54 VanDerWaalsContact C-N 3.33Å; D52-Q54 PolarHBondContact O-N 2.9Å; D52-R55 PolarHBondContact O-N 2.94Å; D52-R55 VanDerWaalsContact O-N 3.1Å; D52-R55 IonicContact OD1-CZ 3.89Å; D52-R55 IonicContact OD1-NE 3.3Å; D52-R55 PolarHBondContact OD1-NE 2.91Å; D52-R55 IonicContact OD1-NH2 3.25Å; D52-R55 PolarHBondContact OD1-NH2 2.84Å; D52-R55 IonicContact OD2-CZ 2.92Å; D52-R55 IonicContact OD2-NH2 3.71Å; D52-R55 PolarHBondContact OD2-NH2 2.99Å; D52-L56 HydrophobicContact CB-CD1 3.69Å; D52-L56 HydrophobicContact CB-CG 3.98Å; D52-L56 WeakPolarHBondContact O-CB 3.36Å; D52-L56 WeakPolarHBondContact O-CG 3.43Å; D52-L56 PolarHBondContact O-N 2.94Å
53L93.7Very high94.6Very high36 Ų3657.2 Ų57.219%0.18832%0.317CS..Hα-helixtrans-49.2-50.4-171.8178.959.4000113.6L35 G50 T51 S57 F62 V67L35-L53 VanDerWaalsContact CD1-CA 3.47Å; L35-L53 HydrophobicContact CD1-CB 3.79Å; L35-L53 HydrophobicContact CD1-CD1 3.91Å; L35-L53 HydrophobicContact CD1-CG 4.46Å; L35-L53 HydrophobicContact CD2-CD1 4Å; G50-L53 WeakPolarHBondContact O-CB 3.39Å; G50-L53 PolarHBondContact O-N 3.36Å; T51-L53 VanDerWaalsContact C-N 3.29Å; T51-L53 PolarHBondContact O-N 3.09Å; L53-S57 WeakPolarHBondContact O-CB 3.29Å; L53-S57 PolarHBondContact O-N 2.9Å; L53-F62 HydrophobicContact CD1-CE2 4.02Å; L53-F62 HydrophobicContact CD1-CZ 4.4Å; L53-V67 HydrophobicContact CD1-CG2 3.91Å
54Q93.3Very high94.1Very high141 Ų14157.5 Ų57.566%0.65933%0.326SS*.Hα-helixtrans-66.1-46.1-177.7-174.8174.4-3.100111.3D52 L56 S57 E58D52-Q54 VanDerWaalsContact C-N 3.33Å; D52-Q54 PolarHBondContact O-N 2.9Å; Q54-L56 VanDerWaalsContact C-N 3.35Å; Q54-L56 PolarHBondContact O-N 2.97Å; Q54-S57 PolarHBondContact O-N 2.76Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.47Å; Q54-E58 PolarHBondContact NE2-OE1 3.21Å; Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 3.11Å
55R95.4Very high93.5Very high127 Ų12763.1 Ų63.148%0.47936%0.364SS..Hα-helixtrans-59.8-43.7178.4-176.9-176.366.778.9-6.3111.8D52 S59D52-R55 PolarHBondContact O-N 2.94Å; D52-R55 VanDerWaalsContact O-N 3.1Å; D52-R55 IonicContact OD1-CZ 3.89Å; D52-R55 IonicContact OD1-NE 3.3Å; D52-R55 PolarHBondContact OD1-NE 2.91Å; D52-R55 IonicContact OD1-NH2 3.25Å; D52-R55 PolarHBondContact OD1-NH2 2.84Å; D52-R55 IonicContact OD2-CZ 2.92Å; D52-R55 IonicContact OD2-NH2 3.71Å; D52-R55 PolarHBondContact OD2-NH2 2.99Å; R55-S59 VanDerWaalsContact O-CB 3.29Å; R55-S59 WeakPolarHBondContact O-CB 3.28Å; R55-S59 PolarHBondContact O-N 3.26Å; R55-S59 PolarHBondContact O-OG 2.84Å
56L94.2Very high93.1Very high5 Ų565.6 Ų65.63%0.02638%0.384CS..Hα-helixtrans-71.4-40.5179-69.4169.8000111.5L35 F46 D52 Q54 E58 S59 F60 F62L35-L56 HydrophobicContact CB-CD1 4.19Å; L35-L56 HydrophobicContact CD1-CD1 4.04Å; F46-L56 HydrophobicContact CB-CD2 4.4Å; F46-L56 HydrophobicContact CD2-CD1 3.86Å; F46-L56 HydrophobicContact CD2-CD2 3.99Å; F46-L56 HydrophobicContact CD2-CG 4.41Å; F46-L56 HydrophobicContact CE2-CB 4.37Å; F46-L56 HydrophobicContact CE2-CD1 3.86Å; F46-L56 HydrophobicContact CE2-CD2 4.45Å; F46-L56 HydrophobicContact CE2-CG 4.46Å; F46-L56 HydrophobicContact CG-CD2 4.13Å; D52-L56 HydrophobicContact CB-CD1 3.69Å; D52-L56 HydrophobicContact CB-CG 3.98Å; D52-L56 WeakPolarHBondContact O-CB 3.36Å; D52-L56 WeakPolarHBondContact O-CG 3.43Å; D52-L56 PolarHBondContact O-N 2.94Å; Q54-L56 VanDerWaalsContact C-N 3.35Å; Q54-L56 PolarHBondContact O-N 2.97Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 2.69Å; L56-S59 PolarHBondContact O-N 2.95Å; L56-F60 HydrophobicContact CD2-CD2 4.06Å; L56-F60 HydrophobicContact CD2-CE2 3.77Å; L56-F60 WeakPolarHBondContact O-CB 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.46Å; L56-F60 PolarHBondContact O-N 3.12Å; L56-F62 HydrophobicContact CB-CE1 4.01Å; L56-F62 HydrophobicContact CB-CZ 3.97Å; L56-F62 VanDerWaalsContact O-CE1 3.24Å; L56-F62 WeakPolarHBondContact O-CE1 3.48Å
57S93.5Very high92.9Very high26 Ų2665.7 Ų65.718%0.18239%0.386CS..Hα-helixtrans-57.9-45.3175.2172.20000111.5L53 Q54 G61 F62L53-S57 WeakPolarHBondContact O-CB 3.29Å; L53-S57 PolarHBondContact O-N 2.9Å; Q54-S57 PolarHBondContact O-N 2.76Å; S57-G61 VanDerWaalsContact O-CA 3.32Å; S57-G61 WeakPolarHBondContact O-CA 3.41Å; S57-G61 PolarHBondContact O-N 3.16Å; S57-F62 WeakPolarHBondContact CB-O 3.49Å; S57-F62 PolarHBondContact O-N 3.38Å; S57-F62 PolarHBondContact OG-O 3.34Å
58E93.2Very high92.9Very high135 Ų13565.9 Ų65.963%0.63139%0.39SS*.Hα-helixtrans-67.9-40.8175.5-70169.8-168.800112.4Q54 L56Q54-E58 WeakPolarHBondContact CG-OE1 3.47Å; Q54-E58 PolarHBondContact NE2-OE1 3.21Å; Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 3.11Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 2.69Å
59S93.3Very high92.9Very high78 Ų7870 Ų7055%0.54541%0.405SS..Hα-helixtrans-71.9-36.2-176.3-61.70000113.6R55 L56R55-S59 VanDerWaalsContact O-CB 3.29Å; R55-S59 WeakPolarHBondContact O-CB 3.28Å; R55-S59 PolarHBondContact O-N 3.26Å; R55-S59 PolarHBondContact O-OG 2.84Å; L56-S59 PolarHBondContact O-N 2.95Å
60F92.8Very high92.9Very high46 Ų4664.8 Ų64.820%0.20238%0.381CS..Hα-helixtrans-109.9-1.1-174.8-69.4-84.4000113.5I11 A45 F46 L56 F62I11-F60 HydrophobicContact CD1-CB 4.29Å; I11-F60 HydrophobicContact CD1-CD1 4.01Å; I11-F60 HydrophobicContact CD1-CG 4.44Å; I11-F60 HydrophobicContact CG1-CB 3.85Å; I11-F60 HydrophobicContact CG1-CD1 4.43Å; A45-F60 HydrophobicContact CB-CE1 4.34Å; F46-F60 HydrophobicContact CB-CE1 4.49Å; F46-F60 HydrophobicContact CB-CE2 3.76Å; F46-F60 HydrophobicContact CB-CZ 3.71Å; F46-F60 HydrophobicContact CD1-CB 4.4Å; F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CD2 3.4Å; F46-F60 HydrophobicContact CD1-CD2 3.4Å; F46-F60 AromaticContact CD1-CE1 3.84Å; F46-F60 HydrophobicContact CD1-CE1 3.84Å; F46-F60 AromaticContact CD1-CE2 3.42Å; F46-F60 HydrophobicContact CD1-CE2 3.42Å; F46-F60 VanDerWaalsContact CD1-CE2 3.42Å; F46-F60 AromaticContact CD1-CG 3.61Å; F46-F60 HydrophobicContact CD1-CG 3.61Å; F46-F60 AromaticContact CD1-CZ 3.65Å; F46-F60 HydrophobicContact CD1-CZ 3.65Å; F46-F60 HydrophobicContact CE1-CB 4.02Å; F46-F60 HydrophobicContact CE1-CD1 4.25Å; F46-F60 AromaticContact CE1-CD2 3.7Å; F46-F60 HydrophobicContact CE1-CD2 3.7Å; F46-F60 HydrophobicContact CE1-CE2 4.21Å; F46-F60 AromaticContact CE1-CG 3.73Å; F46-F60 HydrophobicContact CE1-CG 3.73Å; F46-F60 HydrophobicContact CG-CD2 4.1Å; F46-F60 AromaticContact CG-CE2 3.77Å; F46-F60 HydrophobicContact CG-CE2 3.77Å; F46-F60 HydrophobicContact CG-CZ 4.06Å; L56-F60 HydrophobicContact CD2-CD2 4.06Å; L56-F60 HydrophobicContact CD2-CE2 3.77Å; L56-F60 WeakPolarHBondContact O-CB 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.46Å; L56-F60 PolarHBondContact O-N 3.12Å; F60-F62 HydrophobicContact CB-CD1 3.87Å; F60-F62 HydrophobicContact CB-CE1 4.12Å; F60-F62 PolarHBondContact O-N 3.38Å
61G91Very high93Very high64 Ų6466.2 Ų66.266%0.6640%0.396SS*.THydrogen-bonded Turntrans70.629.3170.900000115.3S57S57-G61 VanDerWaalsContact O-CA 3.32Å; S57-G61 WeakPolarHBondContact O-CA 3.41Å; S57-G61 PolarHBondContact O-N 3.16Å
62F91.7Very high92.7Very high22 Ų2267.3 Ų67.310%0.09639%0.393CS..  trans-103.2150.9176.367.6-93.4000111.9V14 F46 L53 L56 S57 F60 V67V14-F62 HydrophobicContact CB-CD2 4.45Å; V14-F62 HydrophobicContact CB-CE2 4.42Å; V14-F62 HydrophobicContact CG1-CE2 4.21Å; V14-F62 HydrophobicContact CG1-CZ 4.27Å; V14-F62 HydrophobicContact CG2-CB 4.36Å; V14-F62 HydrophobicContact CG2-CD1 3.93Å; V14-F62 HydrophobicContact CG2-CD2 3.85Å; V14-F62 HydrophobicContact CG2-CE1 4.13Å; V14-F62 HydrophobicContact CG2-CE2 4.08Å; V14-F62 HydrophobicContact CG2-CG 3.79Å; V14-F62 HydrophobicContact CG2-CZ 4.21Å; F46-F62 HydrophobicContact CE1-CD1 4.31Å; F46-F62 AromaticContact CE1-CE1 3.81Å; F46-F62 HydrophobicContact CE1-CE1 3.81Å; F46-F62 HydrophobicContact CE2-CE1 4.48Å; F46-F62 HydrophobicContact CZ-CD1 4.25Å; F46-F62 AromaticContact CZ-CE1 3.47Å; F46-F62 HydrophobicContact CZ-CE1 3.47Å; F46-F62 VanDerWaalsContact CZ-CE1 3.47Å; F46-F62 AromaticContact CZ-CZ 3.94Å; F46-F62 HydrophobicContact CZ-CZ 3.94Å; L53-F62 HydrophobicContact CD1-CE2 4.02Å; L53-F62 HydrophobicContact CD1-CZ 4.4Å; L56-F62 HydrophobicContact CB-CE1 4.01Å; L56-F62 HydrophobicContact CB-CZ 3.97Å; L56-F62 VanDerWaalsContact O-CE1 3.24Å; L56-F62 WeakPolarHBondContact O-CE1 3.48Å; S57-F62 WeakPolarHBondContact CB-O 3.49Å; S57-F62 PolarHBondContact O-N 3.38Å; S57-F62 PolarHBondContact OG-O 3.34Å; F60-F62 HydrophobicContact CB-CD1 3.87Å; F60-F62 HydrophobicContact CB-CE1 4.12Å; F60-F62 PolarHBondContact O-N 3.38Å; F62-V67 HydrophobicContact CD2-CG2 4.13Å; F62-V67 HydrophobicContact CE2-CG2 3.77Å
63S90.3Very high92.8Very high69 Ų6968 Ų6848%0.48340%0.395SS..  trans-77.6132.6174.5-179.30000111.1C65 A66S63-C65 PolarHBondContact O-N 2.82Å; S63-C65 PolarHBondContact OG-N 2.89Å; S63-A66 WeakPolarHBondContact O-CB 3.34Å; S63-A66 PolarHBondContact O-N 2.95Å
64S85.8Confident93Very high61 Ų6167.3 Ų67.343%0.42739%0.39SS..G310 helixtrans-58.1-29.717454.30000113A66 V67S64-A66 VanDerWaalsContact C-N 3.25Å; S64-A66 PolarHBondContact O-N 2.89Å; S64-V67 WeakPolarHBondContact O-CG2 3.23Å; S64-V67 PolarHBondContact O-N 3.21Å
65C86.1Confident93.3Very high120 Ų12060.8 Ų60.881%0.81136%0.36SS*.G310 helixtrans-71.7-17.1175.9-60.90000113.6S63 V67S63-C65 PolarHBondContact O-N 2.82Å; S63-C65 PolarHBondContact OG-N 2.89Å; C65-V67 VanDerWaalsContact C-N 3.35Å
66A89.6Confident93.4Very high70 Ų7054.8 Ų54.858%0.57934%0.337SS*.G310 helixtrans-89.6-1.4179.100000113S63 S64 T68S63-A66 WeakPolarHBondContact O-CB 3.34Å; S63-A66 PolarHBondContact O-N 2.95Å; S64-A66 VanDerWaalsContact C-N 3.25Å; S64-A66 PolarHBondContact O-N 2.89Å; A66-T68 PolarHBondContact O-N 2.84Å
67V94.9Very high93.6Very high13 Ų1354.6 Ų54.68%0.07934%0.336CS..PPolyproline II helixtrans-73122.4179179.40000109.9V14 R16 L35 L53 F62 S64 C65 Q69V14-V67 HydrophobicContact CB-CG2 4.18Å; V14-V67 HydrophobicContact CG1-CG1 4.24Å; V14-V67 HydrophobicContact CG1-CG2 4.08Å; V14-V67 WeakPolarHBondContact O-CA 3.39Å; R16-V67 HydrophobicContact CB-CG1 3.64Å; L35-V67 HydrophobicContact CD2-CG1 3.92Å; L53-V67 HydrophobicContact CD1-CG2 3.91Å; F62-V67 HydrophobicContact CD2-CG2 4.13Å; F62-V67 HydrophobicContact CE2-CG2 3.77Å; S64-V67 WeakPolarHBondContact O-CG2 3.23Å; S64-V67 PolarHBondContact O-N 3.21Å; C65-V67 VanDerWaalsContact C-N 3.35Å; V67-Q69 PolarHBondContact O-N 2.82Å
68T96.1Very high93.9Very high60 Ų6053.3 Ų53.337%0.36833%0.327SS..EExtended strand (participates in β ladder)trans-76.1117.2174.9-60.70000109.5V14 C15 R16 A66V14-T68 PolarHBondContact O-N 3.39Å; C15-T68 CarbonylContact C-O 3.54Å; C15-T68 WeakPolarHBondContact CA-O 3.2Å; R16-T68 PolarHBondContact N-O 3.17Å; A66-T68 PolarHBondContact O-N 2.84Å
69Q97.1Very high94.2Very high102 Ų10246.9 Ų46.948%0.47730%0.297SS..EExtended strand (participates in β ladder)trans-86.6128.6176.2-59.5-63.2-22.700110.1V67V67-Q69 PolarHBondContact O-N 2.82Å
70L96.9Very high94.4Very high22 Ų2243.2 Ų43.212%0.11527%0.272CS..PPolyproline II helixtrans-77.1147.7170.3-8272.1000110.2C15 R16 E74 F76C15-L70 HydrophobicContact CB-CD1 4.11Å; R16-L70 VanDerWaalsContact O-CD1 3.3Å; R16-L70 WeakPolarHBondContact O-CD1 3.4Å; R16-L70 PolarHBondContact O-N 2.86Å; L70-E74 HydrophobicContact CB-CB 4.12Å; L70-E74 HydrophobicContact CD2-CB 4.27Å; L70-E74 HydrophobicContact CG-CB 4.36Å; L70-F76 HydrophobicContact CD1-CD2 3.98Å; L70-F76 HydrophobicContact CD1-CE2 3.82Å; L70-F76 HydrophobicContact CD2-CD2 3.68Å; L70-F76 HydrophobicContact CD2-CE2 4.15Å; L70-F76 HydrophobicContact CD2-CG 4.48Å; L70-F76 HydrophobicContact CG-CD2 4.36Å; L70-F76 HydrophobicContact CG-CE2 4.38Å
71G94.1Very high94.7Very high36 Ų3641 Ų4137%0.37126%0.262SS..PPolyproline II helixtrans-68.7163.2171.400000112.5H73 E74G71-H73 PolarHBondContact O-N 3.4Å; G71-H73 VanDerWaalsContact O-N 3.13Å; G71-E74 PolarHBondContact N-OE2 3.42Å; G71-E74 PolarHBondContact O-N 2.7Å
72Q90.4Very high95.1Very high140 Ų14038 Ų3865%0.65423%0.231SC*.THydrogen-bonded Turntrans-57.8-28.7179.9-174.4-178.3-3.100113.7
73H95.6Very high95.5Very high56 Ų5637 Ų3726%0.25923%0.226SC..THydrogen-bonded Turntrans-105.420.1-179.5-50.7-45.5000112.1G71 V405 A406 L414G71-H73 PolarHBondContact O-N 3.4Å; G71-H73 VanDerWaalsContact O-N 3.13Å; H73-V405 HydrophobicContact CB-CG2 3.92Å; H73-V405 WeakPolarHBondContact O-CG2 3.37Å; H73-V405 PolarHBondContact O-N 3.48Å; H73-V405 VanDerWaalsContact O-N 3.1Å; H73-A406 HydrophobicContact CB-CB 3.87Å; H73-L414 HydrophobicContact CB-CD1 4.12Å
74E97.8Very high95.9Very high21 Ų2133.8 Ų33.810%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-116.2145.1179.5-57.7-172.2144.300111L70 G71 R402 V403 N404L70-E74 HydrophobicContact CB-CB 4.12Å; L70-E74 HydrophobicContact CD2-CB 4.27Å; L70-E74 HydrophobicContact CG-CB 4.36Å; G71-E74 PolarHBondContact N-OE2 3.42Å; G71-E74 PolarHBondContact O-N 2.7Å; E74-R402 IonicContact OE1-CZ 3.36Å; E74-R402 IonicContact OE1-NE 2.99Å; E74-R402 IonicContact OE1-NH2 3.46Å; E74-R402 PolarHBondContact OE1-NH2 3.2Å; E74-R402 IonicContact OE2-CZ 2.92Å; E74-R402 IonicContact OE2-NE 2.7Å; E74-R402 PolarHBondContact OE2-NE 3.13Å; E74-R402 IonicContact OE2-NH2 2.71Å; E74-R402 PolarHBondContact OE2-NH2 2.91Å; E74-V403 WeakPolarHBondContact CA-O 3.29Å; E74-V403 WeakPolarHBondContact CB-O 3.28Å; E74-N404 HydrophobicContact CG-CB 3.85Å; E74-N404 PolarHBondContact OE1-ND2 2.93Å; E74-N404 VanDerWaalsContact OE1-ND2 3.11Å
75F98.7Very high96.5Very high3 Ų330.9 Ų30.91%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-146.1156.617159.6-92.8000110.3T18 V20 M77 V403 V405 L423 L424 F427T18-F75 HydrophobicContact CG2-CB 3.97Å; T18-F75 CarbonylContact O-C 3.39Å; T18-F75 VanDerWaalsContact O-CA 3.3Å; T18-F75 WeakPolarHBondContact O-CA 3.17Å; V20-F75 HydrophobicContact CB-CD2 4.37Å; V20-F75 HydrophobicContact CG2-CB 4.18Å; V20-F75 HydrophobicContact CG2-CD2 4Å; V20-F75 HydrophobicContact CG2-CG 4.23Å; F75-M77 HydrophobicContact CD2-CB 4.34Å; F75-M77 HydrophobicContact CE2-CB 4.24Å; F75-M77 HydrophobicContact CE2-CG 4.16Å; F75-M77 HydrophobicContact CE2-SD 4.14Å; F75-V403 HydrophobicContact CD1-CB 4.44Å; F75-V403 HydrophobicContact CD2-CB 4.16Å; F75-V403 HydrophobicContact CD2-CG2 4.47Å; F75-V403 HydrophobicContact CE1-CB 4.06Å; F75-V403 HydrophobicContact CE1-CG1 3.82Å; F75-V403 HydrophobicContact CE2-CB 3.74Å; F75-V403 HydrophobicContact CE2-CG1 4.14Å; F75-V403 HydrophobicContact CE2-CG2 3.86Å; F75-V403 HydrophobicContact CG-CB 4.49Å; F75-V403 HydrophobicContact CZ-CB 3.69Å; F75-V403 HydrophobicContact CZ-CG1 3.56Å; F75-V403 HydrophobicContact CZ-CG2 4.13Å; F75-V403 PolarHBondContact N-O 3.21Å; F75-V403 PolarHBondContact O-N 2.96Å; F75-V405 HydrophobicContact CE1-CG1 3.89Å; F75-L423 HydrophobicContact CE1-CB 4.4Å; F75-L424 HydrophobicContact CE2-CD1 3.82Å; F75-L424 HydrophobicContact CZ-CB 4.49Å; F75-L424 HydrophobicContact CZ-CD1 3.99Å; F75-F427 HydrophobicContact CZ-CB 4.09Å; F75-F427 HydrophobicContact CZ-CD1 4.01Å; F75-F427 HydrophobicContact CZ-CG 4.16Å
76F98.8Very high97.1Very high2 Ų225.3 Ų25.31%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-93.3137.1165.3-89.8-69.5000110.3C15 T18 F19 V20 L70 F392 F398 A400 L401 R402 F440C15-F76 HydrophobicContact CB-CD2 4.49Å; C15-F76 HydrophobicContact CB-CE2 3.99Å; T18-F76 PolarHBondContact O-N 2.92Å; F19-F76 CarbonylContact C-O 3.58Å; F19-F76 WeakPolarHBondContact CA-O 3.31Å; F19-F76 HydrophobicContact CD1-CB 3.53Å; F19-F76 HydrophobicContact CD1-CD2 4.31Å; F19-F76 HydrophobicContact CD1-CG 4.25Å; F19-F76 HydrophobicContact CE1-CB 3.8Å; F19-F76 AromaticContact CE1-CD2 3.68Å; F19-F76 HydrophobicContact CE1-CD2 3.68Å; F19-F76 HydrophobicContact CE1-CG 4.01Å; F19-F76 HydrophobicContact CG-CB 4.31Å; F19-F76 HydrophobicContact CZ-CD2 4.14Å; V20-F76 PolarHBondContact N-O 2.92Å; L70-F76 HydrophobicContact CD1-CD2 3.98Å; L70-F76 HydrophobicContact CD1-CE2 3.82Å; L70-F76 HydrophobicContact CD2-CD2 3.68Å; L70-F76 HydrophobicContact CD2-CE2 4.15Å; L70-F76 HydrophobicContact CD2-CG 4.48Å; L70-F76 HydrophobicContact CG-CD2 4.36Å; L70-F76 HydrophobicContact CG-CE2 4.38Å; F76-F392 HydrophobicContact CB-CE2 4.37Å; F76-F392 HydrophobicContact CB-CZ 4.01Å; F76-F398 HydrophobicContact CD1-CZ 4.03Å; F76-F398 HydrophobicContact CE1-CE1 4.27Å; F76-F398 AromaticContact CE1-CZ 3.9Å; F76-F398 HydrophobicContact CE1-CZ 3.9Å; F76-F398 HydrophobicContact CG-CZ 4.49Å; F76-F398 HydrophobicContact CZ-CZ 4.24Å; F76-A400 HydrophobicContact CD1-CB 3.96Å; F76-A400 HydrophobicContact CE1-CB 4.32Å; F76-L401 VanDerWaalsContact CA-O 3.32Å; F76-L401 WeakPolarHBondContact CA-O 3.48Å; F76-L401 VanDerWaalsContact CD1-O 3.25Å; F76-L401 WeakPolarHBondContact CD1-O 3.42Å; F76-R402 HydrophobicContact CD1-CB 4.15Å; F76-R402 HydrophobicContact CE1-CB 3.57Å; F76-R402 HydrophobicContact CE1-CG 4.3Å; F76-R402 HydrophobicContact CZ-CB 3.82Å; F76-R402 HydrophobicContact CZ-CG 4.13Å; F76-F440 HydrophobicContact CE1-CD2 4.01Å; F76-F440 AromaticContact CE1-CE2 3.79Å; F76-F440 HydrophobicContact CE1-CE2 3.79Å; F76-F440 AromaticContact CZ-CE2 3.95Å; F76-F440 HydrophobicContact CZ-CE2 3.95Å
77M98.9Very high97.5Very high0 Ų022 Ų220%012%0.118CC..EExtended strand (participates in β ladder)trans-130.3158.2165.262.7172.4-82.800110.8V20 F75 M80 F372 T376 A400 L401 V403 L424 F427V20-M77 VanDerWaalsContact O-CA 3.32Å; V20-M77 WeakPolarHBondContact O-CA 3.3Å; F75-M77 HydrophobicContact CD2-CB 4.34Å; F75-M77 HydrophobicContact CE2-CB 4.24Å; F75-M77 HydrophobicContact CE2-CG 4.16Å; F75-M77 HydrophobicContact CE2-SD 4.14Å; M77-M80 HydrophobicContact CE-CG 4Å; M77-F372 HydrophobicContact CB-CE2 4.26Å; M77-F372 HydrophobicContact CB-CZ 4.28Å; M77-F372 HydrophobicContact CE-CD2 4.23Å; M77-F372 HydrophobicContact CE-CE2 3.52Å; M77-F372 HydrophobicContact CE-CZ 4.46Å; M77-F372 HydrophobicContact SD-CE2 4.08Å; M77-T376 HydrophobicContact CE-CG2 4.25Å; M77-A400 CarbonylContact O-C 3.56Å; M77-A400 WeakPolarHBondContact O-CA 3.11Å; M77-L401 HydrophobicContact CE-CD1 4.19Å; M77-L401 HydrophobicContact CG-CB 3.98Å; M77-L401 HydrophobicContact CG-CD1 4.24Å; M77-L401 HydrophobicContact CG-CG 4.38Å; M77-L401 PolarHBondContact N-O 3.3Å; M77-L401 PolarHBondContact O-N 3.23Å; M77-L401 HydrophobicContact SD-CD1 4.35Å; M77-V403 HydrophobicContact CG-CG2 4.1Å; M77-V403 HydrophobicContact SD-CG2 4.21Å; M77-L424 HydrophobicContact SD-CD1 4.35Å; M77-F427 HydrophobicContact SD-CD1 4.14Å; M77-F427 HydrophobicContact SD-CE1 3.61Å
78P98.9Very high97.7Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-56147.3173.9-25.733.9000111V20 H21 M80 T376 G390 F392V20-P78 WeakPolarHBondContact O-CD 3.32Å; H21-P78 HydrophobicContact CB-CG 3.65Å; P78-M80 PolarHBondContact O-N 3.28Å; P78-T376 HydrophobicContact CB-CG2 3.97Å; P78-T376 HydrophobicContact CG-CG2 4.49Å; P78-G390 WeakPolarHBondContact CG-O 3.45Å; P78-F392 HydrophobicContact CG-CE1 4.49Å; P78-F392 HydrophobicContact CG-CE2 4.33Å; P78-F392 HydrophobicContact CG-CZ 4.25Å
79G98.9Very high97.8Very high0 Ų018.6 Ų18.60%010%0.097CC..PPolyproline II helixtrans-55.6137.3169.100000111.1T139 D399G79-T139 VanDerWaalsContact CA-OG1 3.3Å; G79-T139 WeakPolarHBondContact CA-OG1 3.27Å; G79-D399 PolarHBondContact N-O 2.63Å
80M98.9Very high97.8Very high1 Ų116.1 Ų16.11%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-72.6146.6178.9-70.3178.3-77.400110.3M77 P78 N136 G137 T138 T139 I342 L343 A375 L401 I436M77-M80 HydrophobicContact CE-CG 4Å; P78-M80 PolarHBondContact O-N 3.28Å; M80-N136 WeakPolarHBondContact CE-O 3.28Å; M80-G137 PolarHBondContact N-O 2.87Å; M80-T138 CarbonylContact O-C 3.58Å; M80-T138 WeakPolarHBondContact O-CA 2.99Å; M80-T139 PolarHBondContact O-N 2.62Å; M80-T139 PolarHBondContact O-OG1 2.95Å; M80-I342 HydrophobicContact CB-CB 3.94Å; M80-I342 HydrophobicContact CB-CG1 4.35Å; M80-I342 HydrophobicContact CB-CG2 3.87Å; M80-I342 HydrophobicContact CG-CB 4.38Å; M80-I342 HydrophobicContact CG-CG2 4.06Å; M80-I342 HydrophobicContact SD-CB 3.83Å; M80-I342 HydrophobicContact SD-CG2 3.77Å; M80-L343 HydrophobicContact CE-CD2 4.2Å; M80-L343 HydrophobicContact CE-CG 4Å; M80-L343 HydrophobicContact SD-CD2 3.85Å; M80-L343 HydrophobicContact SD-CG 4.03Å; M80-A375 WeakPolarHBondContact CA-O 3.48Å; M80-L401 HydrophobicContact CE-CD1 3.63Å; M80-L401 HydrophobicContact CG-CD1 4.25Å; M80-I436 HydrophobicContact CE-CD1 4.22Å
81I98.9Very high97.7Very high0 Ų017.7 Ų17.70%010%0.097CC..EExtended strand (participates in β ladder)trans-116.6114.8-175.6-58.7-173000109.1T83 T140 A375 T376 S380 L383 T389I81-T83 HydrophobicContact CG2-CG2 4.03Å; I81-T140 WeakPolarHBondContact CA-O 3.39Å; I81-T140 HydrophobicContact CG2-CG2 4.16Å; I81-A375 PolarHBondContact N-O 3.02Å; I81-T376 WeakPolarHBondContact CD1-O 3.33Å; I81-S380 VanDerWaalsContact CD1-CB 3.44Å; I81-L383 HydrophobicContact CG2-CD1 3.72Å; I81-T389 HydrophobicContact CD1-CG2 3.98Å
82D98.9Very high97.7Very high0 Ų017 Ų170%08%0.083CC..EExtended strand (participates in β ladder)trans-91.2105.6173-167.3-13.8000109.7H84 T138 T140 A141 C142 G331 T332 I342D82-H84 VanDerWaalsContact C-N 3.31Å; D82-H84 PolarHBondContact OD1-N 3.07Å; D82-H84 VanDerWaalsContact OD1-N 3.16Å; D82-T138 HydrophobicContact CB-CG2 3.58Å; D82-T140 PolarHBondContact N-O 3.41Å; D82-A141 CarbonylContact O-C 3.54Å; D82-A141 WeakPolarHBondContact O-CA 3.49Å; D82-C142 PolarHBondContact O-N 2.95Å; D82-G331 WeakPolarHBondContact OD1-CA 3.24Å; D82-T332 PolarHBondContact OD1-N 3.04Å; D82-T332 VanDerWaalsContact OD1-N 3.07Å; D82-T332 WeakPolarHBondContact OD2-CB 3.49Å; D82-T332 WeakPolarHBondContact OD2-CG2 3.46Å; D82-T332 PolarHBondContact OD2-OG1 3.27Å; D82-I342 HydrophobicContact CB-CD1 3.77Å; D82-I342 HydrophobicContact CB-CG1 3.99Å
83T98.9Very high97.8Very high0 Ų011.9 Ų11.90%06%0.061CC..EExtended strand (participates in β ladder)trans-82.3-7.8-17657.80000113.8I81 C142 S302 L330 A382 L383I81-T83 HydrophobicContact CG2-CG2 4.03Å; T83-C142 VanDerWaalsContact O-CB 3.29Å; T83-C142 WeakPolarHBondContact O-CB 3.24Å; T83-S302 VanDerWaalsContact OG1-CB 3.28Å; T83-S302 WeakPolarHBondContact OG1-CB 3.46Å; T83-S302 PolarHBondContact OG1-OG 3.07Å; T83-L330 PolarHBondContact N-O 3.25Å; T83-L330 PolarHBondContact OG1-O 2.87Å; T83-A382 HydrophobicContact CG2-CB 4.27Å; T83-L383 HydrophobicContact CG2-CD1 4.24Å; T83-L383 HydrophobicContact CG2-CD2 4.23Å; T83-L383 HydrophobicContact CG2-CG 3.95Å
84H98.9Very high97.7Very high3 Ų311.6 Ų11.61%0.0147%0.074CC..EExtended strand (participates in β ladder)trans-161.6118.2177.9-175.375.4000112.3D82 H86 F144 H243 A281 S302 T332 D333D82-H84 VanDerWaalsContact C-N 3.31Å; D82-H84 PolarHBondContact OD1-N 3.07Å; D82-H84 VanDerWaalsContact OD1-N 3.16Å; H84-H86 AromaticContact CE1-NE2 3.58Å; H84-H86 AromaticContact NE2-CD2 3.7Å; H84-H86 AromaticContact NE2-NE2 3.16Å; H84-H86 PolarHBondContact NE2-NE2 3.43Å; H84-H86 VanDerWaalsContact NE2-NE2 3.16Å; H84-F144 AromaticContact CE1-CD2 3.58Å; H84-F144 AromaticContact CE1-CE2 3.26Å; H84-F144 WeakPolarHBondContact CE1-CE2 3.31Å; H84-F144 AromaticContact CE1-CZ 3.82Å; H84-F144 AromaticContact ND1-CD2 3.72Å; H84-F144 AromaticContact ND1-CE2 3.34Å; H84-F144 VanDerWaalsContact ND1-CE2 3.34Å; H84-F144 WeakPolarHBondContact ND1-CE2 3.39Å; H84-H243 AromaticContact CE1-CE1 3.65Å; H84-H243 AromaticContact CE1-NE2 3.44Å; H84-H243 PolarHBondContact CE1-NE2 2.9Å; H84-H243 AromaticContact NE2-CD2 3.98Å; H84-H243 AromaticContact NE2-NE2 3.37Å; H84-H243 PolarHBondContact NE2-NE2 3.4Å; H84-A281 HydrophobicContact CB-CB 4.41Å; H84-S302 WeakPolarHBondContact CB-OG 3.28Å; H84-T332 PolarHBondContact O-N 3.29Å; H84-T332 VanDerWaalsContact O-N 3.17Å; H84-D333 IonicContact CD2-OD1 2.79Å; H84-D333 PolarHBondContact CD2-OD1 3.27Å; H84-D333 VanDerWaalsContact CD2-OD1 3.3Å; H84-D333 IonicContact NE2-OD1 3.95Å; H84-D333 PolarHBondContact NE2-OD1 3.43Å; H84-D333 VanDerWaalsContact NE2-OD1 3.09Å; H84-D333 PolarHBondContact O-N 2.92Å
85I98.9Very high97.3Very high0 Ų014 Ų140%09%0.09CC..EExtended strand (participates in β ladder)trans-153.8135.1177.6172.4162.6000111.4A87 V129 T133 A141 C142 Y143 F144 V334I85-A87 PolarHBondContact O-N 3.4Å; I85-V129 HydrophobicContact CD1-CG2 4.08Å; I85-T133 HydrophobicContact CD1-CG2 4.02Å; I85-A141 HydrophobicContact CG2-CB 4.29Å; I85-C142 WeakPolarHBondContact CG2-O 3.24Å; I85-C142 PolarHBondContact N-O 3.1Å; I85-C142 VanDerWaalsContact N-O 3.16Å; I85-Y143 HydrophobicContact CB-CD1 4.36Å; I85-Y143 HydrophobicContact CB-CE1 4.43Å; I85-Y143 HydrophobicContact CD1-CE1 4.05Å; I85-Y143 HydrophobicContact CG1-CD1 4.25Å; I85-Y143 HydrophobicContact CG1-CE1 4.1Å; I85-Y143 HydrophobicContact CG2-CD1 3.41Å; I85-Y143 VanDerWaalsContact CG2-CD1 3.41Å; I85-Y143 HydrophobicContact CG2-CE1 3.51Å; I85-Y143 HydrophobicContact CG2-CG 4.33Å; I85-Y143 WeakPolarHBondContact O-CA 3.4Å; I85-F144 PolarHBondContact O-N 3.41Å; I85-V334 HydrophobicContact CD1-CB 4.1Å; I85-V334 HydrophobicContact CD1-CG2 3.94Å; I85-V334 HydrophobicContact CG1-CB 3.98Å; I85-V334 HydrophobicContact CG1-CG2 4.3Å
86H98.8Very high96.4Very high3 Ų314.5 Ų14.51%0.01410%0.095CC..EExtended strand (participates in β ladder)trans-91.8100.6169.8-52.7-112.3000110.5H84 Q89 F144 H243 D333 V334H84-H86 AromaticContact CE1-NE2 3.58Å; H84-H86 AromaticContact NE2-CD2 3.7Å; H84-H86 AromaticContact NE2-NE2 3.16Å; H84-H86 PolarHBondContact NE2-NE2 3.43Å; H84-H86 VanDerWaalsContact NE2-NE2 3.16Å; H86-Q89 HydrophobicContact CB-CB 4.06Å; H86-Q89 HydrophobicContact CB-CG 3.7Å; H86-Q89 VanDerWaalsContact CG-NE2 3.31Å; H86-Q89 PolarHBondContact ND1-NE2 3.07Å; H86-Q89 PolarHBondContact O-N 3.23Å; H86-F144 HydrophobicContact CB-CB 4.21Å; H86-F144 AromaticContact CE1-CD1 3.69Å; H86-F144 AromaticContact CE1-CG 3.77Å; H86-F144 WeakPolarHBondContact ND1-CB 3.38Å; H86-F144 AromaticContact ND1-CD1 3.89Å; H86-F144 AromaticContact ND1-CG 3.76Å; H86-H243 AromaticContact CE1-CE1 3.43Å; H86-H243 PolarHBondContact CE1-CE1 3.21Å; H86-H243 VanDerWaalsContact CE1-CE1 3.43Å; H86-H243 AromaticContact CE1-NE2 3.35Å; H86-H243 PolarHBondContact CE1-NE2 3.35Å; H86-H243 VanDerWaalsContact CE1-NE2 3.35Å; H86-H243 AromaticContact NE2-CE1 3.64Å; H86-H243 AromaticContact NE2-NE2 3.12Å; H86-H243 PolarHBondContact NE2-NE2 3.33Å; H86-H243 VanDerWaalsContact NE2-NE2 3.12Å; H86-D333 IonicContact CD2-OD1 3.36Å; H86-D333 PolarHBondContact CD2-OD1 3.29Å; H86-D333 IonicContact NE2-OD1 2.91Å; H86-D333 PolarHBondContact NE2-OD1 3.1Å; H86-V334 WeakPolarHBondContact CA-O 3.21Å; H86-V334 WeakPolarHBondContact CB-O 3.3Å; H86-V334 PolarHBondContact N-O 2.89Å
87A98.7Very high95.6Very high0 Ų016.4 Ų16.40%011%0.105CC..G310 helixtrans-53.1-40.9175.100000114.6I85 Q89 Y90 Y126 V129 Y143 F144 L155I85-A87 PolarHBondContact O-N 3.4Å; A87-Q89 PolarHBondContact O-N 3.44Å; A87-Y90 WeakPolarHBondContact O-CB 3.43Å; A87-Y90 PolarHBondContact O-N 3.25Å; A87-Y126 HydrophobicContact CB-CD1 3.71Å; A87-Y126 HydrophobicContact CB-CE1 3.57Å; A87-V129 HydrophobicContact CB-CG1 4.1Å; A87-Y143 HydrophobicContact CB-CD1 3.72Å; A87-Y143 HydrophobicContact CB-CE1 4.22Å; A87-Y143 HydrophobicContact CB-CG 4.29Å; A87-F144 PolarHBondContact N-O 2.83Å; A87-L155 HydrophobicContact CB-CD1 4.24Å; A87-L155 HydrophobicContact CB-CD2 3.58Å
88P98.1Very high94.9Very high0 Ų023 Ų230%014%0.14CC..G310 helixtrans-71.1-23.5-176.328.5-36.7000113.3Y90 E113 F116 Y126 F144 A145 T146P88-Y90 PolarHBondContact O-N 3.44Å; P88-E113 HydrophobicContact CB-CG 4.21Å; P88-E113 HydrophobicContact CG-CG 3.99Å; P88-F116 HydrophobicContact CB-CD1 4.11Å; P88-F116 HydrophobicContact CB-CD2 3.79Å; P88-F116 HydrophobicContact CB-CE1 3.7Å; P88-F116 HydrophobicContact CB-CE2 3.33Å; P88-F116 HydrophobicContact CB-CG 4.18Å; P88-F116 HydrophobicContact CB-CZ 3.32Å; P88-F116 WeakPolarHBondContact O-CE2 3.45Å; P88-F116 WeakPolarHBondContact O-CZ 3.34Å; P88-Y126 HydrophobicContact CB-CE1 4.23Å; P88-F144 WeakPolarHBondContact CD-O 3.5Å; P88-A145 WeakPolarHBondContact CG-O 3.2Å; P88-T146 HydrophobicContact CB-CG2 3.52Å; P88-T146 HydrophobicContact CG-CG2 3.66Å
89Q97.7Very high94Very high2 Ų224.8 Ų24.81%0.00915%0.149CC..G310 helixtrans-79.9-9.3-177-59.117812.800112.5H86 A87 S91 Y92 T93 W104 T109 E113 V334 A335H86-Q89 HydrophobicContact CB-CB 4.06Å; H86-Q89 HydrophobicContact CB-CG 3.7Å; H86-Q89 VanDerWaalsContact CG-NE2 3.31Å; H86-Q89 PolarHBondContact ND1-NE2 3.07Å; H86-Q89 PolarHBondContact O-N 3.23Å; A87-Q89 PolarHBondContact O-N 3.44Å; Q89-S91 PolarHBondContact O-N 2.99Å; Q89-Y92 VanDerWaalsContact CA-CE1 3.47Å; Q89-Y92 HydrophobicContact CB-CE1 3.65Å; Q89-Y92 WeakPolarHBondContact CB-OH 3.3Å; Q89-Y92 HydrophobicContact CG-CE1 3.98Å; Q89-Y92 VanDerWaalsContact CG-OH 3.25Å; Q89-Y92 WeakPolarHBondContact CG-OH 3.47Å; Q89-Y92 VanDerWaalsContact O-CD1 3.27Å; Q89-Y92 WeakPolarHBondContact O-CD1 3.23Å; Q89-Y92 WeakPolarHBondContact O-CE1 3.26Å; Q89-Y92 PolarHBondContact O-N 3.39Å; Q89-Y92 PolarHBondContact OE1-OH 2.68Å; Q89-T93 PolarHBondContact O-OG1 2.99Å; Q89-W104 VanDerWaalsContact OE1-CH2 3.32Å; Q89-T109 HydrophobicContact CG-CG2 4.14Å; Q89-E113 HydrophobicContact CG-CG 4.49Å; Q89-E113 PolarHBondContact NE2-OE1 3.45Å; Q89-V334 PolarHBondContact OE1-O 3.25Å; Q89-A335 HydrophobicContact CB-CB 3.7Å; Q89-A335 WeakPolarHBondContact O-CB 3.25Å
90Y97.9Very high93.1Very high49 Ų4927.9 Ų27.919%0.19217%0.169CC..G310 helixtrans-54.9-26.2178.2-172.1-113.2000114.1A87 P88 Y92 T93 Q128 V129 R132 V334 P340A87-Y90 WeakPolarHBondContact O-CB 3.43Å; A87-Y90 PolarHBondContact O-N 3.25Å; P88-Y90 PolarHBondContact O-N 3.44Å; Y90-Y92 VanDerWaalsContact C-N 3.26Å; Y90-Y92 PolarHBondContact O-N 2.89Å; Y90-T93 WeakPolarHBondContact CA-OG1 3.34Å; Y90-T93 PolarHBondContact O-OG1 3.1Å; Y90-Q128 HydrophobicContact CD1-CB 4.25Å; Y90-Q128 HydrophobicContact CE1-CB 3.87Å; Y90-V129 HydrophobicContact CD1-CB 3.69Å; Y90-V129 HydrophobicContact CD1-CG2 4.27Å; Y90-V129 HydrophobicContact CD2-CB 4.17Å; Y90-V129 HydrophobicContact CD2-CG2 3.83Å; Y90-V129 HydrophobicContact CE1-CB 4.35Å; Y90-V129 HydrophobicContact CG-CB 3.6Å; Y90-V129 HydrophobicContact CG-CG2 3.71Å; Y90-R132 HydrophobicContact CE2-CG 4.41Å; Y90-R132 WeakPolarHBondContact OH-CG 3.43Å; Y90-V334 HydrophobicContact CD2-CG1 4.2Å; Y90-P340 HydrophobicContact CE2-CB 4.04Å; Y90-P340 HydrophobicContact CE2-CG 4.12Å
91S95.6Very high92.3Very high56 Ų5628.4 Ų28.439%0.39217%0.171SC..G310 helixtrans-67.9-19.2-176.763.50000115.2Q89 V112Q89-S91 PolarHBondContact O-N 2.99Å; S91-V112 VanDerWaalsContact OG-CG1 3.32Å; S91-V112 WeakPolarHBondContact OG-CG1 3.5Å
92Y93.2Very high91.4Very high21 Ų2130.5 Ų30.58%0.08218%0.183CC..G310 helixtrans-127.112.6179.467-87.7000113.1Q89 Y90 G94 T95 W104 T109 V112 A335Q89-Y92 VanDerWaalsContact CA-CE1 3.47Å; Q89-Y92 HydrophobicContact CB-CE1 3.65Å; Q89-Y92 WeakPolarHBondContact CB-OH 3.3Å; Q89-Y92 HydrophobicContact CG-CE1 3.98Å; Q89-Y92 VanDerWaalsContact CG-OH 3.25Å; Q89-Y92 WeakPolarHBondContact CG-OH 3.47Å; Q89-Y92 VanDerWaalsContact O-CD1 3.27Å; Q89-Y92 WeakPolarHBondContact O-CD1 3.23Å; Q89-Y92 WeakPolarHBondContact O-CE1 3.26Å; Q89-Y92 PolarHBondContact O-N 3.39Å; Q89-Y92 PolarHBondContact OE1-OH 2.68Å; Y90-Y92 VanDerWaalsContact C-N 3.26Å; Y90-Y92 PolarHBondContact O-N 2.89Å; Y92-G94 PolarHBondContact O-N 3.35Å; Y92-T95 PolarHBondContact O-N 2.84Å; Y92-T95 PolarHBondContact O-OG1 2.87Å; Y92-W104 AromaticContact CE2-CE2 3.98Å; Y92-W104 HydrophobicContact CE2-CH2 4.46Å; Y92-W104 AromaticContact CE2-CZ2 3.54Å; Y92-W104 HydrophobicContact CE2-CZ2 3.54Å; Y92-W104 AromaticContact CZ-CZ2 3.91Å; Y92-W104 WeakPolarHBondContact OH-CZ2 3.35Å; Y92-T109 WeakPolarHBondContact OH-CA 3.34Å; Y92-T109 PolarHBondContact OH-OG1 2.98Å; Y92-V112 HydrophobicContact CD1-CB 4.05Å; Y92-V112 HydrophobicContact CD1-CG1 3.83Å; Y92-V112 HydrophobicContact CD1-CG2 3.81Å; Y92-V112 HydrophobicContact CE1-CB 3.93Å; Y92-V112 HydrophobicContact CE1-CG1 3.89Å; Y92-V112 HydrophobicContact CE1-CG2 4.09Å; Y92-A335 HydrophobicContact CD2-CB 4.16Å; Y92-A335 HydrophobicContact CE2-CB 3.69Å
93T93.6Very high90.6Very high33 Ų3335.3 Ų35.320%0.20221%0.205CC..THydrogen-bonded Turntrans-51.3134.7176.1-56.20000112Q89 Y90 V334 Y338Q89-T93 PolarHBondContact O-OG1 2.99Å; Y90-T93 WeakPolarHBondContact CA-OG1 3.34Å; Y90-T93 PolarHBondContact O-OG1 3.1Å; T93-V334 HydrophobicContact CG2-CG1 3.99Å; T93-V334 WeakPolarHBondContact OG1-CG1 3.27Å; T93-Y338 WeakPolarHBondContact CG2-O 3.46Å
94G91.7Very high90Very high50 Ų5035.6 Ų35.652%0.51521%0.206SC..THydrogen-bonded Turntrans86.212.7-177.300000114.5Y92Y92-G94 PolarHBondContact O-N 3.35Å
95T89.4Confident89.2Confident71 Ų7136 Ų3644%0.43621%0.208SC..SBendtrans-128.2158.2176.371.10000111.3Y92 L97Y92-T95 PolarHBondContact O-N 2.84Å; Y92-T95 PolarHBondContact O-OG1 2.87Å; T95-L97 PolarHBondContact O-N 3.12Å
96A80.6Confident88.5Confident14 Ų1438.8 Ų38.812%0.11622%0.223CC..  trans61.332.5169.700000117.2D98 Y108A96-D98 VanDerWaalsContact C-N 3.29Å; A96-D98 PolarHBondContact O-N 3.43Å; A96-Y108 HydrophobicContact CB-CD1 3.93Å; A96-Y108 HydrophobicContact CB-CD2 3.48Å; A96-Y108 VanDerWaalsContact CB-CD2 3.48Å; A96-Y108 HydrophobicContact CB-CE1 3.68Å; A96-Y108 HydrophobicContact CB-CE2 3.21Å; A96-Y108 HydrophobicContact CB-CG 3.84Å
97L82.9Confident87.7Confident42 Ų4241.8 Ų41.822%0.2224%0.242CC..  trans-89.48.5179.9-61.9178.1000114T95 M99 S310 L311 G336 Y338T95-L97 PolarHBondContact O-N 3.12Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-S310 VanDerWaalsContact O-O 3.11Å; L97-L311 HydrophobicContact CD2-CD2 3.97Å; L97-G336 WeakPolarHBondContact CD2-O 3.22Å; L97-Y338 HydrophobicContact CD1-CD1 3.56Å; L97-Y338 HydrophobicContact CD1-CG 4.14Å
98D83.6Confident87Confident138 Ų13845.4 Ų45.474%0.73826%0.256SS*.SBendtrans-94.315.6-18058.5-38.4000112.9A96A96-D98 VanDerWaalsContact C-N 3.29Å; A96-D98 PolarHBondContact O-N 3.43Å
99M80.1Confident86.6Confident38 Ų3845.4 Ų45.419%0.18726%0.256CS..SBendtrans-124.7146.1-177.2-60.2-171.6-172.900112L97 Q103 W104 Y108L97-M99 VanDerWaalsContact C-N 3.33Å; M99-Q103 HydrophobicContact CB-CG 4.46Å; M99-Q103 HydrophobicContact SD-CG 4.1Å; M99-W104 HydrophobicContact CB-CB 4.39Å; M99-Y108 HydrophobicContact CE-CE2 3.92Å; M99-Y108 HydrophobicContact SD-CE2 3.79Å
100P79.4Confident86.2Confident65 Ų6545.9 Ų45.942%0.42226%0.258SS..  trans-58.4150.4169.9-22.333.1000112.3L102 Q103 W104P100-L102 PolarHBondContact O-N 3.27Å; P100-Q103 PolarHBondContact O-N 3.14Å; P100-W104 PolarHBondContact O-N 3.06Å
101L81.3Confident85.8Confident11 Ų1145.9 Ų45.96%0.05826%0.264CS..Hα-helixtrans-48-51.6-174.2177.868000113.7Q103 W104 L105 E246 N247 L311L101-Q103 VanDerWaalsContact C-N 3.31Å; L101-Q103 PolarHBondContact O-N 3.13Å; L101-W104 HydrophobicContact CD1-CE3 4.2Å; L101-W104 WeakPolarHBondContact O-CB 3.32Å; L101-W104 PolarHBondContact O-N 3.45Å; L101-L105 HydrophobicContact CD1-CD1 4.41Å; L101-L105 HydrophobicContact CD1-CG 4.28Å; L101-L105 HydrophobicContact CG-CD1 4.24Å; L101-L105 HydrophobicContact CG-CG 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.28Å; L101-L105 PolarHBondContact O-N 2.93Å; L101-E246 WeakPolarHBondContact CD2-OE2 3.31Å; L101-N247 VanDerWaalsContact CB-ND2 3.32Å; L101-N247 WeakPolarHBondContact CB-ND2 3.17Å; L101-N247 WeakPolarHBondContact CD2-ND2 3.14Å; L101-L311 HydrophobicContact CD1-CD1 3.69Å
102L81.3Confident85.7Confident45 Ų4544.1 Ų44.124%0.23625%0.251CS..Hα-helixtrans-64.9-36.5-175.7-64.7-178.9000111.9P100 L105 N106 E249 W253P100-L102 PolarHBondContact O-N 3.27Å; L102-L105 HydrophobicContact CD2-CD1 4.5Å; L102-N106 VanDerWaalsContact O-CG 3.24Å; L102-N106 PolarHBondContact O-N 3.31Å; L102-N106 PolarHBondContact O-ND2 3.34Å; L102-E249 HydrophobicContact CD1-CB 4.41Å; L102-W253 HydrophobicContact CD2-CE3 4.18Å; L102-W253 HydrophobicContact CD2-CZ3 3.98Å
103Q82.3Confident85.8Confident101 Ų10143.1 Ų43.147%0.47225%0.247SC..Hα-helixtrans-70-41.1174.8-176.3177.6-3.300111.3M99 P100 L101 N106 T107M99-Q103 HydrophobicContact CB-CG 4.46Å; M99-Q103 HydrophobicContact SD-CG 4.1Å; P100-Q103 PolarHBondContact O-N 3.14Å; L101-Q103 VanDerWaalsContact C-N 3.31Å; L101-Q103 PolarHBondContact O-N 3.13Å; Q103-N106 PolarHBondContact O-N 3.04Å; Q103-T107 WeakPolarHBondContact O-CB 3.42Å; Q103-T107 PolarHBondContact O-N 2.95Å; Q103-T107 PolarHBondContact O-OG1 3.05Å
104W85.2Confident85.8Confident6 Ų642.3 Ų42.32%0.02324%0.243CC..Hα-helixtrans-60.6-46177.5177.980.1000112Q89 Y92 M99 P100 L101 N106 T107 Y108 T109 L311 A335Q89-W104 VanDerWaalsContact OE1-CH2 3.32Å; Y92-W104 AromaticContact CE2-CE2 3.98Å; Y92-W104 HydrophobicContact CE2-CH2 4.46Å; Y92-W104 AromaticContact CE2-CZ2 3.54Å; Y92-W104 HydrophobicContact CE2-CZ2 3.54Å; Y92-W104 AromaticContact CZ-CZ2 3.91Å; Y92-W104 WeakPolarHBondContact OH-CZ2 3.35Å; M99-W104 HydrophobicContact CB-CB 4.39Å; P100-W104 PolarHBondContact O-N 3.06Å; L101-W104 HydrophobicContact CD1-CE3 4.2Å; L101-W104 WeakPolarHBondContact O-CB 3.32Å; L101-W104 PolarHBondContact O-N 3.45Å; W104-N106 VanDerWaalsContact C-N 3.31Å; W104-N106 PolarHBondContact O-N 3.37Å; W104-T107 PolarHBondContact O-N 2.83Å; W104-Y108 PolarHBondContact O-N 2.89Å; W104-T109 WeakPolarHBondContact CH2-OG1 3.33Å; W104-T109 HydrophobicContact CZ3-CG2 4.33Å; W104-T109 WeakPolarHBondContact CZ3-OG1 3.5Å; W104-T109 PolarHBondContact O-N 3.41Å; W104-L311 HydrophobicContact CG-CD2 4.48Å; W104-A335 HydrophobicContact CZ2-CB 4.13Å
105L83.8Confident86Confident11 Ų1146 Ų466%0.05824%0.241CC..Iπ-helixtrans-55.7-45.7177-75.1175000112.1L101 L102 T109 F110 R216L101-L105 HydrophobicContact CD1-CD1 4.41Å; L101-L105 HydrophobicContact CD1-CG 4.28Å; L101-L105 HydrophobicContact CG-CD1 4.24Å; L101-L105 HydrophobicContact CG-CG 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.28Å; L101-L105 PolarHBondContact O-N 2.93Å; L102-L105 HydrophobicContact CD2-CD1 4.5Å; L105-T109 HydrophobicContact CD2-CG2 3.88Å; L105-T109 PolarHBondContact O-N 3.13Å; L105-F110 HydrophobicContact CB-CD2 4.41Å; L105-F110 HydrophobicContact CB-CE2 3.86Å; L105-F110 HydrophobicContact CB-CZ 4.05Å; L105-F110 HydrophobicContact CD1-CZ 4.41Å; L105-F110 HydrophobicContact CD2-CZ 4.43Å; L105-F110 VanDerWaalsContact O-CD2 3.27Å; L105-F110 WeakPolarHBondContact O-CD2 3.35Å; L105-F110 WeakPolarHBondContact O-CG 3.15Å; L105-F110 PolarHBondContact O-N 2.77Å; L105-R216 VanDerWaalsContact CD2-NH2 3.35Å
106N82.6Confident86.4Confident59 Ų5942.7 Ų42.732%0.31622%0.22SC..Iπ-helixtrans-72.6-34.9-177.4-65.4-25.8000112.9L102 Q103 W104 S178L102-N106 VanDerWaalsContact O-CG 3.24Å; L102-N106 PolarHBondContact O-N 3.31Å; L102-N106 PolarHBondContact O-ND2 3.34Å; Q103-N106 PolarHBondContact O-N 3.04Å; W104-N106 VanDerWaalsContact C-N 3.31Å; W104-N106 PolarHBondContact O-N 3.37Å; N106-S178 PolarHBondContact ND2-OG 2.67Å; N106-S178 WeakPolarHBondContact OD1-CB 3.37Å; N106-S178 PolarHBondContact OD1-OG 3.49Å
107T81.8Confident87.1Confident66 Ų6649 Ų4941%0.40525%0.248SC..Iπ-helixtrans-85.7-37.3-172.4-51.60000112.3Q103 W104Q103-T107 WeakPolarHBondContact O-CB 3.42Å; Q103-T107 PolarHBondContact O-N 2.95Å; Q103-T107 PolarHBondContact O-OG1 3.05Å; W104-T107 PolarHBondContact O-N 2.83Å
108Y85.5Confident87.8Confident76 Ų7651.2 Ų51.230%0.29826%0.26SS..Iπ-helixtrans-121.2-52.9-172.4-63.5-83000112.6A96 M99 W104 P111 V112A96-Y108 HydrophobicContact CB-CD1 3.93Å; A96-Y108 HydrophobicContact CB-CD2 3.48Å; A96-Y108 VanDerWaalsContact CB-CD2 3.48Å; A96-Y108 HydrophobicContact CB-CE1 3.68Å; A96-Y108 HydrophobicContact CB-CE2 3.21Å; A96-Y108 HydrophobicContact CB-CG 3.84Å; M99-Y108 HydrophobicContact CE-CE2 3.92Å; M99-Y108 HydrophobicContact SD-CE2 3.79Å; W104-Y108 PolarHBondContact O-N 2.89Å; Y108-P111 WeakPolarHBondContact O-CD 3.36Å; Y108-V112 WeakPolarHBondContact O-CB 3.47Å; Y108-V112 VanDerWaalsContact O-CG2 3.29Å; Y108-V112 WeakPolarHBondContact O-CG2 3.39Å; Y108-V112 PolarHBondContact O-N 3.01Å
109T88.4Confident88.5Confident0 Ų048.2 Ų48.20%024%0.243CC..Iπ-helixtrans-65.2-57.1-166.4-51.20000112.8Q89 Y92 W104 L105 V112 E113 R216Q89-T109 HydrophobicContact CG-CG2 4.14Å; Y92-T109 WeakPolarHBondContact OH-CA 3.34Å; Y92-T109 PolarHBondContact OH-OG1 2.98Å; W104-T109 WeakPolarHBondContact CH2-OG1 3.33Å; W104-T109 HydrophobicContact CZ3-CG2 4.33Å; W104-T109 WeakPolarHBondContact CZ3-OG1 3.5Å; W104-T109 PolarHBondContact O-N 3.41Å; L105-T109 HydrophobicContact CD2-CG2 3.88Å; L105-T109 PolarHBondContact O-N 3.13Å; T109-V112 PolarHBondContact O-N 3.41Å; T109-E113 HydrophobicContact CG2-CG 4.37Å; T109-E113 VanDerWaalsContact CG2-OE1 3.25Å; T109-E113 WeakPolarHBondContact CG2-OE1 3.48Å; T109-E113 WeakPolarHBondContact O-CB 3.44Å; T109-E113 WeakPolarHBondContact O-CG 3.36Å; T109-E113 PolarHBondContact O-N 2.98Å; T109-R216 VanDerWaalsContact CG2-NH2 3.31Å
110F90.5Very high89.4Confident11 Ų1152.7 Ų52.75%0.04826%0.264CS..Hα-helixtrans-64.4-41.9-179.4-57.5-42.6000113.3L105 V112 E113 S114 M173 V179 Y182L105-F110 HydrophobicContact CB-CD2 4.41Å; L105-F110 HydrophobicContact CB-CE2 3.86Å; L105-F110 HydrophobicContact CB-CZ 4.05Å; L105-F110 HydrophobicContact CD1-CZ 4.41Å; L105-F110 HydrophobicContact CD2-CZ 4.43Å; L105-F110 VanDerWaalsContact O-CD2 3.27Å; L105-F110 WeakPolarHBondContact O-CD2 3.35Å; L105-F110 WeakPolarHBondContact O-CG 3.15Å; L105-F110 PolarHBondContact O-N 2.77Å; F110-V112 VanDerWaalsContact C-N 3.31Å; F110-V112 PolarHBondContact O-N 2.93Å; F110-E113 PolarHBondContact O-N 3.38Å; F110-S114 WeakPolarHBondContact O-CB 3.45Å; F110-S114 PolarHBondContact O-N 2.87Å; F110-S114 PolarHBondContact O-OG 2.9Å; F110-M173 HydrophobicContact CE1-CE 4.3Å; F110-V179 HydrophobicContact CB-CB 3.99Å; F110-V179 HydrophobicContact CB-CG1 4.2Å; F110-V179 HydrophobicContact CB-CG2 3.78Å; F110-V179 HydrophobicContact CD2-CB 4.29Å; F110-V179 HydrophobicContact CD2-CG2 3.86Å; F110-V179 HydrophobicContact CG-CB 4.48Å; F110-V179 HydrophobicContact CG-CG2 4.28Å; F110-Y182 HydrophobicContact CB-CD1 3.88Å; F110-Y182 AromaticContact CD1-CD1 3.6Å; F110-Y182 HydrophobicContact CD1-CD1 3.6Å; F110-Y182 AromaticContact CD1-CE1 3.78Å; F110-Y182 HydrophobicContact CD1-CE1 3.78Å; F110-Y182 HydrophobicContact CE1-CD1 4.48Å; F110-Y182 HydrophobicContact CG-CD1 4.04Å
111P89.5Confident90.3Very high49 Ų4951 Ų5132%0.31825%0.25SS..Hα-helixtrans-60.8-34.2173.6-27.436.8000114.7Y108 S114Y108-P111 WeakPolarHBondContact O-CD 3.36Å; P111-S114 PolarHBondContact O-OG 3.42Å
112V92.5Very high91.1Very high19 Ų1950.5 Ų50.512%0.11525%0.247CC..Hα-helixtrans-76.7-46.4176.9170.40000111S91 Y92 Y108 T109 F110 S114 R115 F116S91-V112 VanDerWaalsContact OG-CG1 3.32Å; S91-V112 WeakPolarHBondContact OG-CG1 3.5Å; Y92-V112 HydrophobicContact CD1-CB 4.05Å; Y92-V112 HydrophobicContact CD1-CG1 3.83Å; Y92-V112 HydrophobicContact CD1-CG2 3.81Å; Y92-V112 HydrophobicContact CE1-CB 3.93Å; Y92-V112 HydrophobicContact CE1-CG1 3.89Å; Y92-V112 HydrophobicContact CE1-CG2 4.09Å; Y108-V112 WeakPolarHBondContact O-CB 3.47Å; Y108-V112 VanDerWaalsContact O-CG2 3.29Å; Y108-V112 WeakPolarHBondContact O-CG2 3.39Å; Y108-V112 PolarHBondContact O-N 3.01Å; T109-V112 PolarHBondContact O-N 3.41Å; F110-V112 VanDerWaalsContact C-N 3.31Å; F110-V112 PolarHBondContact O-N 2.93Å; V112-S114 VanDerWaalsContact C-N 3.25Å; V112-S114 PolarHBondContact O-N 3.26Å; V112-R115 WeakPolarHBondContact O-CB 3.32Å; V112-R115 PolarHBondContact O-N 3.42Å; V112-R115 VanDerWaalsContact O-N 3.09Å; V112-F116 HydrophobicContact CG1-CE2 4.32Å; V112-F116 WeakPolarHBondContact O-CD2 3.28Å
113E95.7Very high91.9Very high0 Ų053.2 Ų53.20%026%0.257CS..Hα-helixtrans-62.6-33-179.6-70.1-176.1-162.800112P88 Q89 T109 F110 R115 F116 T146 H148 Y182 R216P88-E113 HydrophobicContact CB-CG 4.21Å; P88-E113 HydrophobicContact CG-CG 3.99Å; Q89-E113 HydrophobicContact CG-CG 4.49Å; Q89-E113 PolarHBondContact NE2-OE1 3.45Å; T109-E113 HydrophobicContact CG2-CG 4.37Å; T109-E113 VanDerWaalsContact CG2-OE1 3.25Å; T109-E113 WeakPolarHBondContact CG2-OE1 3.48Å; T109-E113 WeakPolarHBondContact O-CB 3.44Å; T109-E113 WeakPolarHBondContact O-CG 3.36Å; T109-E113 PolarHBondContact O-N 2.98Å; F110-E113 PolarHBondContact O-N 3.38Å; E113-R115 PolarHBondContact O-N 3.23Å; E113-F116 WeakPolarHBondContact O-CB 3.3Å; E113-F116 WeakPolarHBondContact O-CD2 3.16Å; E113-F116 PolarHBondContact O-N 2.81Å; E113-F116 VanDerWaalsContact O-N 3.1Å; E113-T146 HydrophobicContact CB-CG2 3.91Å; E113-T146 HydrophobicContact CG-CG2 4.15Å; E113-H148 PolarHBondContact O-CE1 3.33Å; E113-Y182 HydrophobicContact CB-CE1 3.84Å; E113-Y182 HydrophobicContact CB-CE2 3.98Å; E113-Y182 VanDerWaalsContact CB-CZ 3.42Å; E113-Y182 VanDerWaalsContact CB-OH 3.24Å; E113-Y182 WeakPolarHBondContact CB-OH 3.02Å; E113-Y182 VanDerWaalsContact OE2-CE1 3.27Å; E113-Y182 WeakPolarHBondContact OE2-CE1 3.27Å; E113-Y182 VanDerWaalsContact OE2-CZ 3.27Å; E113-Y182 PolarHBondContact OE2-OH 2.99Å; E113-R216 VanDerWaalsContact CD-NH1 3.31Å; E113-R216 IonicContact OE1-CZ 3.54Å; E113-R216 IonicContact OE1-NH1 3.96Å; E113-R216 PolarHBondContact OE1-NH1 2.8Å; E113-R216 IonicContact OE1-NH2 3.95Å; E113-R216 PolarHBondContact OE1-NH2 3.24Å; E113-R216 IonicContact OE2-NH1 2.66Å; E113-R216 PolarHBondContact OE2-NH1 2.98Å
114S93.8Very high92.7Very high17 Ų1755.7 Ų55.712%0.11927%0.266CS..G310 helixtrans-62.9-23.8175.973.90000113.5F110 P111 V112 F116 Q117F110-S114 WeakPolarHBondContact O-CB 3.45Å; F110-S114 PolarHBondContact O-N 2.87Å; F110-S114 PolarHBondContact O-OG 2.9Å; P111-S114 PolarHBondContact O-OG 3.42Å; V112-S114 VanDerWaalsContact C-N 3.25Å; V112-S114 PolarHBondContact O-N 3.26Å; S114-F116 PolarHBondContact O-N 2.9Å; S114-Q117 WeakPolarHBondContact O-CG 3.25Å
115R95.6Very high93.3Very high128 Ų12855.9 Ų55.948%0.48327%0.268SS..G310 helixtrans-71.3-13.9176.5-62.816959.7-167.4-1.4113.4V112 E113 Q117 D118 F121V112-R115 WeakPolarHBondContact O-CB 3.32Å; V112-R115 PolarHBondContact O-N 3.42Å; V112-R115 VanDerWaalsContact O-N 3.09Å; E113-R115 PolarHBondContact O-N 3.23Å; R115-Q117 PolarHBondContact O-N 3.27Å; R115-D118 WeakPolarHBondContact O-CB 3.31Å; R115-D118 PolarHBondContact O-N 3.45Å; R115-F121 HydrophobicContact CB-CD1 3.82Å; R115-F121 HydrophobicContact CB-CE1 3.79Å; R115-F121 VanDerWaalsContact NH2-CE2 3.28Å
116F97.6Very high94.1Very high0 Ų055.3 Ų55.30%027%0.265CS..G310 helixtrans-72.4-2.5179.3-77.2-104.3000113.9P88 V112 E113 S114 D118 F121 A122 V125 Y126 T146 A151P88-F116 HydrophobicContact CB-CD1 4.11Å; P88-F116 HydrophobicContact CB-CD2 3.79Å; P88-F116 HydrophobicContact CB-CE1 3.7Å; P88-F116 HydrophobicContact CB-CE2 3.33Å; P88-F116 HydrophobicContact CB-CG 4.18Å; P88-F116 HydrophobicContact CB-CZ 3.32Å; P88-F116 WeakPolarHBondContact O-CE2 3.45Å; P88-F116 WeakPolarHBondContact O-CZ 3.34Å; V112-F116 HydrophobicContact CG1-CE2 4.32Å; V112-F116 WeakPolarHBondContact O-CD2 3.28Å; E113-F116 WeakPolarHBondContact O-CB 3.3Å; E113-F116 WeakPolarHBondContact O-CD2 3.16Å; E113-F116 PolarHBondContact O-N 2.81Å; E113-F116 VanDerWaalsContact O-N 3.1Å; S114-F116 PolarHBondContact O-N 2.9Å; F116-D118 PolarHBondContact O-N 3.04Å; F116-F121 HydrophobicContact CD2-CD1 4.17Å; F116-F121 AromaticContact CD2-CE1 3.89Å; F116-F121 HydrophobicContact CD2-CE1 3.89Å; F116-F121 HydrophobicContact CE2-CD1 4.07Å; F116-F121 AromaticContact CE2-CE1 3.46Å; F116-F121 HydrophobicContact CE2-CE1 3.46Å; F116-F121 VanDerWaalsContact CE2-CE1 3.46Å; F116-F121 HydrophobicContact CE2-CZ 4.4Å; F116-F121 HydrophobicContact CZ-CD1 4.34Å; F116-F121 AromaticContact CZ-CE1 3.9Å; F116-F121 HydrophobicContact CZ-CE1 3.9Å; F116-A122 HydrophobicContact CD1-CB 3.56Å; F116-A122 HydrophobicContact CE1-CB 4.09Å; F116-A122 HydrophobicContact CG-CB 4.43Å; F116-V125 HydrophobicContact CE1-CB 4.17Å; F116-V125 HydrophobicContact CE1-CG1 4.47Å; F116-V125 HydrophobicContact CZ-CB 3.89Å; F116-V125 HydrophobicContact CZ-CG1 3.94Å; F116-V125 HydrophobicContact CZ-CG2 4.09Å; F116-Y126 HydrophobicContact CD1-CE1 4.03Å; F116-Y126 AromaticContact CD1-CE2 3.8Å; F116-Y126 HydrophobicContact CD1-CE2 3.8Å; F116-Y126 AromaticContact CD1-CZ 3.46Å; F116-Y126 VanDerWaalsContact CD1-CZ 3.46Å; F116-Y126 VanDerWaalsContact CD1-OH 3.31Å; F116-Y126 WeakPolarHBondContact CD1-OH 3.44Å; F116-Y126 HydrophobicContact CE1-CD1 4.03Å; F116-Y126 HydrophobicContact CE1-CD2 4.44Å; F116-Y126 AromaticContact CE1-CE1 3.47Å; F116-Y126 HydrophobicContact CE1-CE1 3.47Å; F116-Y126 VanDerWaalsContact CE1-CE1 3.47Å; F116-Y126 AromaticContact CE1-CE2 3.91Å; F116-Y126 HydrophobicContact CE1-CE2 3.91Å; F116-Y126 AromaticContact CE1-CZ 3.41Å; F116-Y126 VanDerWaalsContact CE1-CZ 3.41Å; F116-Y126 HydrophobicContact CZ-CE1 4.34Å; F116-T146 HydrophobicContact CB-CG2 3.72Å; F116-T146 HydrophobicContact CD1-CG2 4.25Å; F116-T146 HydrophobicContact CD2-CG2 3.93Å; F116-T146 HydrophobicContact CG-CG2 3.69Å; F116-A151 HydrophobicContact CB-CB 4.27Å; F116-A151 WeakPolarHBondContact O-CB 3.37Å
117Q95.7Very high94.8Very high148 Ų14853.9 Ų53.969%0.69226%0.259SS*.G310 helixtrans-58-27.5160.367.3-176.8-2000112.2S114 R115S114-Q117 WeakPolarHBondContact O-CG 3.25Å; R115-Q117 PolarHBondContact O-N 3.27Å
118D97.9Very high95.6Very high87 Ų8755.4 Ų55.447%0.46526%0.261SS..SBendtrans-84.3109.1171177.14000110.1R115 F116 E120 F121 A122R115-D118 WeakPolarHBondContact O-CB 3.31Å; R115-D118 PolarHBondContact O-N 3.45Å; F116-D118 PolarHBondContact O-N 3.04Å; D118-E120 VanDerWaalsContact C-N 3.28Å; D118-E120 PolarHBondContact O-N 2.66Å; D118-E120 PolarHBondContact OD1-N 2.8Å; D118-F121 HydrophobicContact CB-CB 4.07Å; D118-F121 PolarHBondContact O-N 3.18Å; D118-A122 PolarHBondContact O-N 2.89Å
119L98.4Very high96.3Very high76 Ų7651.8 Ų51.840%0.39825%0.247SC..Hα-helixtrans-66.5-25.9-178.4-64.5-178000113.5K123 D150 A151L119-K123 VanDerWaalsContact O-CB 3.22Å; L119-K123 WeakPolarHBondContact O-CB 3.46Å; L119-K123 PolarHBondContact O-N 2.88Å; L119-D150 HydrophobicContact CD1-CB 4.35Å; L119-D150 HydrophobicContact CD2-CB 3.93Å; L119-A151 HydrophobicContact CD2-CB 4.17Å
120E98.3Very high96.8Very high131 Ų13151.8 Ų51.861%0.61225%0.247SC*.Hα-helixtrans-73-39.6176-71.4-58.2131.200110.8D118 K124D118-E120 VanDerWaalsContact C-N 3.28Å; D118-E120 PolarHBondContact O-N 2.66Å; D118-E120 PolarHBondContact OD1-N 2.8Å; E120-K124 WeakPolarHBondContact O-CB 3.25Å; E120-K124 PolarHBondContact O-N 2.92Å
121F98.3Very high97.1Very high31 Ų3154.1 Ų54.114%0.13626%0.257CS..Hα-helixtrans-62-48.2170.4-179-111000111.2R115 F116 D118 K123 K124 V125R115-F121 HydrophobicContact CB-CD1 3.82Å; R115-F121 HydrophobicContact CB-CE1 3.79Å; R115-F121 VanDerWaalsContact NH2-CE2 3.28Å; F116-F121 HydrophobicContact CD2-CD1 4.17Å; F116-F121 AromaticContact CD2-CE1 3.89Å; F116-F121 HydrophobicContact CD2-CE1 3.89Å; F116-F121 HydrophobicContact CE2-CD1 4.07Å; F116-F121 AromaticContact CE2-CE1 3.46Å; F116-F121 HydrophobicContact CE2-CE1 3.46Å; F116-F121 VanDerWaalsContact CE2-CE1 3.46Å; F116-F121 HydrophobicContact CE2-CZ 4.4Å; F116-F121 HydrophobicContact CZ-CD1 4.34Å; F116-F121 AromaticContact CZ-CE1 3.9Å; F116-F121 HydrophobicContact CZ-CE1 3.9Å; D118-F121 HydrophobicContact CB-CB 4.07Å; D118-F121 PolarHBondContact O-N 3.18Å; F121-K123 PolarHBondContact O-N 3.13Å; F121-K124 PolarHBondContact O-N 3Å; F121-V125 HydrophobicContact CD2-CG2 4.32Å; F121-V125 HydrophobicContact CE1-CG2 4.18Å; F121-V125 HydrophobicContact CE2-CG2 3.85Å; F121-V125 HydrophobicContact CZ-CG2 3.77Å; F121-V125 PolarHBondContact O-N 2.89Å; F121-V125 VanDerWaalsContact O-N 3.07Å
122A98.5Very high97.6Very high0 Ų055.7 Ų55.70%026%0.257CS..Hα-helixtrans-57.2-48.1177.500000111.7F116 D118 K124 V125 Y126 A151 L154F116-A122 HydrophobicContact CD1-CB 3.56Å; F116-A122 HydrophobicContact CE1-CB 4.09Å; F116-A122 HydrophobicContact CG-CB 4.43Å; D118-A122 PolarHBondContact O-N 2.89Å; A122-K124 VanDerWaalsContact C-N 3.31Å; A122-K124 PolarHBondContact O-N 2.95Å; A122-V125 PolarHBondContact O-N 3.48Å; A122-Y126 HydrophobicContact CB-CD2 4.11Å; A122-Y126 HydrophobicContact CB-CE2 3.96Å; A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.41Å; A122-Y126 VanDerWaalsContact O-CD2 3.32Å; A122-Y126 WeakPolarHBondContact O-CD2 3.5Å; A122-Y126 VanDerWaalsContact O-CG 3.29Å; A122-Y126 PolarHBondContact O-N 3.01Å; A122-A151 HydrophobicContact CB-CB 4.05Å; A122-L154 HydrophobicContact CB-CD2 4.21Å
123K98.7Very high97.9Very high102 Ų10254.8 Ų54.844%0.44325%0.251SS..Hα-helixtrans-55.9-45.7177.3-171176180-179.90111.7L119 F121 T127 L154L119-K123 VanDerWaalsContact O-CB 3.22Å; L119-K123 WeakPolarHBondContact O-CB 3.46Å; L119-K123 PolarHBondContact O-N 2.88Å; F121-K123 PolarHBondContact O-N 3.13Å; K123-T127 WeakPolarHBondContact O-CB 3.35Å; K123-T127 PolarHBondContact O-N 2.97Å; K123-T127 PolarHBondContact O-OG1 3.44Å; K123-L154 HydrophobicContact CB-CD2 3.93Å
124K98.4Very high98Very high152 Ų15254.8 Ų54.866%0.66125%0.251SS*.Hα-helixtrans-61.7-50.1179.9-175.3179.3178.8-179.10111.3E120 F121 A122 Q128E120-K124 WeakPolarHBondContact O-CB 3.25Å; E120-K124 PolarHBondContact O-N 2.92Å; F121-K124 PolarHBondContact O-N 3Å; A122-K124 VanDerWaalsContact C-N 3.31Å; A122-K124 PolarHBondContact O-N 2.95Å; K124-Q128 VanDerWaalsContact O-CG 3.26Å; K124-Q128 WeakPolarHBondContact O-CG 3.39Å; K124-Q128 PolarHBondContact O-N 3.46Å
125V98.6Very high98.3Very high10 Ų1058.9 Ų58.96%0.06126%0.264CS..Hα-helixtrans-68.9-49-177.3-178.50000111.1F116 F121 A122 T127 Q128 V129F116-V125 HydrophobicContact CE1-CB 4.17Å; F116-V125 HydrophobicContact CE1-CG1 4.47Å; F116-V125 HydrophobicContact CZ-CB 3.89Å; F116-V125 HydrophobicContact CZ-CG1 3.94Å; F116-V125 HydrophobicContact CZ-CG2 4.09Å; F121-V125 HydrophobicContact CD2-CG2 4.32Å; F121-V125 HydrophobicContact CE1-CG2 4.18Å; F121-V125 HydrophobicContact CE2-CG2 3.85Å; F121-V125 HydrophobicContact CZ-CG2 3.77Å; F121-V125 PolarHBondContact O-N 2.89Å; F121-V125 VanDerWaalsContact O-N 3.07Å; A122-V125 PolarHBondContact O-N 3.48Å; V125-T127 PolarHBondContact O-N 3.14Å; V125-Q128 PolarHBondContact O-N 3.09Å; V125-Q128 VanDerWaalsContact O-N 3.1Å; V125-V129 PolarHBondContact O-N 3.28Å
126Y98.8Very high98.4Very high0 Ų053.4 Ų53.40%024%0.244CC..Hα-helixtrans-63.4-38.4-178.8-67.1-28.2000113.1A87 P88 F116 A122 Q128 V129 V130 A151 L155A87-Y126 HydrophobicContact CB-CD1 3.71Å; A87-Y126 HydrophobicContact CB-CE1 3.57Å; P88-Y126 HydrophobicContact CB-CE1 4.23Å; F116-Y126 HydrophobicContact CD1-CE1 4.03Å; F116-Y126 AromaticContact CD1-CE2 3.8Å; F116-Y126 HydrophobicContact CD1-CE2 3.8Å; F116-Y126 AromaticContact CD1-CZ 3.46Å; F116-Y126 VanDerWaalsContact CD1-CZ 3.46Å; F116-Y126 VanDerWaalsContact CD1-OH 3.31Å; F116-Y126 WeakPolarHBondContact CD1-OH 3.44Å; F116-Y126 HydrophobicContact CE1-CD1 4.03Å; F116-Y126 HydrophobicContact CE1-CD2 4.44Å; F116-Y126 AromaticContact CE1-CE1 3.47Å; F116-Y126 HydrophobicContact CE1-CE1 3.47Å; F116-Y126 VanDerWaalsContact CE1-CE1 3.47Å; F116-Y126 AromaticContact CE1-CE2 3.91Å; F116-Y126 HydrophobicContact CE1-CE2 3.91Å; F116-Y126 AromaticContact CE1-CZ 3.41Å; F116-Y126 VanDerWaalsContact CE1-CZ 3.41Å; F116-Y126 HydrophobicContact CZ-CE1 4.34Å; A122-Y126 HydrophobicContact CB-CD2 4.11Å; A122-Y126 HydrophobicContact CB-CE2 3.96Å; A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.41Å; A122-Y126 VanDerWaalsContact O-CD2 3.32Å; A122-Y126 WeakPolarHBondContact O-CD2 3.5Å; A122-Y126 VanDerWaalsContact O-CG 3.29Å; A122-Y126 PolarHBondContact O-N 3.01Å; Y126-Q128 VanDerWaalsContact C-N 3.3Å; Y126-Q128 PolarHBondContact O-N 3.14Å; Y126-V129 WeakPolarHBondContact O-CG1 3.14Å; Y126-V130 WeakPolarHBondContact O-CB 3.32Å; Y126-V130 WeakPolarHBondContact O-CG2 3.25Å; Y126-V130 PolarHBondContact O-N 3.49Å; Y126-V130 VanDerWaalsContact O-N 3.12Å; Y126-A151 HydrophobicContact CE2-CB 4.25Å; Y126-A151 WeakPolarHBondContact CE2-O 3.46Å; Y126-L155 HydrophobicContact CD1-CB 4.43Å; Y126-L155 HydrophobicContact CD1-CD1 3.89Å; Y126-L155 HydrophobicContact CD1-CD2 4.28Å; Y126-L155 HydrophobicContact CD1-CG 4.43Å; Y126-L155 HydrophobicContact CD2-CB 3.72Å; Y126-L155 HydrophobicContact CD2-CD1 4.4Å; Y126-L155 HydrophobicContact CE1-CD2 4.09Å; Y126-L155 HydrophobicContact CE2-CB 3.85Å; Y126-L155 HydrophobicContact CG-CB 4.03Å; Y126-L155 HydrophobicContact CG-CD1 3.81Å; Y126-L155 HydrophobicContact CG-CG 4.38Å
127T98.8Very high98.5Very high29 Ų2953.4 Ų53.418%0.17824%0.244CC..Hα-helixtrans-61.2-40.7173.9-61.10000111.4K123 V125 K131 F162K123-T127 WeakPolarHBondContact O-CB 3.35Å; K123-T127 PolarHBondContact O-N 2.97Å; K123-T127 PolarHBondContact O-OG1 3.44Å; V125-T127 PolarHBondContact O-N 3.14Å; T127-K131 HydrophobicContact CG2-CD 4.22Å; T127-K131 WeakPolarHBondContact O-CB 3.49Å; T127-K131 VanDerWaalsContact O-CG 3.28Å; T127-K131 WeakPolarHBondContact O-CG 3.3Å; T127-K131 PolarHBondContact O-N 2.92Å; T127-K131 VanDerWaalsContact O-N 3.14Å; T127-F162 HydrophobicContact CG2-CE2 3.95Å; T127-F162 HydrophobicContact CG2-CZ 4.06Å
128Q98.6Very high98.6Very high97 Ų9746.3 Ų46.345%0.45321%0.211SC..Hα-helixtrans-72.2-42.9-178-66.4-64.2-17.600112.4Y90 K124 V125 Y126 K131 R132Y90-Q128 HydrophobicContact CD1-CB 4.25Å; Y90-Q128 HydrophobicContact CE1-CB 3.87Å; K124-Q128 VanDerWaalsContact O-CG 3.26Å; K124-Q128 WeakPolarHBondContact O-CG 3.39Å; K124-Q128 PolarHBondContact O-N 3.46Å; V125-Q128 PolarHBondContact O-N 3.09Å; V125-Q128 VanDerWaalsContact O-N 3.1Å; Y126-Q128 VanDerWaalsContact C-N 3.3Å; Y126-Q128 PolarHBondContact O-N 3.14Å; Q128-K131 PolarHBondContact O-N 3.4Å; Q128-R132 VanDerWaalsContact O-CB 3.25Å; Q128-R132 WeakPolarHBondContact O-CB 3.47Å; Q128-R132 PolarHBondContact O-N 2.72Å
129V98.8Very high98.7Very high0 Ų042.2 Ų42.20%019%0.189CC..Hα-helixtrans-67.1-42-18071.10000111.9I85 A87 Y90 V125 Y126 R132 T133I85-V129 HydrophobicContact CD1-CG2 4.08Å; A87-V129 HydrophobicContact CB-CG1 4.1Å; Y90-V129 HydrophobicContact CD1-CB 3.69Å; Y90-V129 HydrophobicContact CD1-CG2 4.27Å; Y90-V129 HydrophobicContact CD2-CB 4.17Å; Y90-V129 HydrophobicContact CD2-CG2 3.83Å; Y90-V129 HydrophobicContact CE1-CB 4.35Å; Y90-V129 HydrophobicContact CG-CB 3.6Å; Y90-V129 HydrophobicContact CG-CG2 3.71Å; V125-V129 PolarHBondContact O-N 3.28Å; Y126-V129 WeakPolarHBondContact O-CG1 3.14Å; V129-R132 PolarHBondContact O-N 2.94Å; V129-T133 HydrophobicContact CG2-CG2 4.19Å; V129-T133 WeakPolarHBondContact O-CB 3.29Å; V129-T133 VanDerWaalsContact O-CG2 3.32Å; V129-T133 WeakPolarHBondContact O-CG2 3.11Å; V129-T133 PolarHBondContact O-N 3.07Å; V129-T133 PolarHBondContact O-OG1 3.09Å
130V98.9Very high98.7Very high0 Ų038.6 Ų38.60%017%0.17CC..Hα-helixtrans-63.3-45.8176.4170.50000110.4Y126 R132 T133 L134 Y143 L155 I158 F162 Q164Y126-V130 WeakPolarHBondContact O-CB 3.32Å; Y126-V130 WeakPolarHBondContact O-CG2 3.25Å; Y126-V130 PolarHBondContact O-N 3.49Å; Y126-V130 VanDerWaalsContact O-N 3.12Å; V130-R132 PolarHBondContact O-N 2.92Å; V130-T133 PolarHBondContact O-OG1 2.72Å; V130-T133 VanDerWaalsContact O-OG1 3.13Å; V130-L134 HydrophobicContact CG1-CD1 4.1Å; V130-L134 WeakPolarHBondContact O-CB 3.43Å; V130-L134 WeakPolarHBondContact O-CG 3.26Å; V130-L134 PolarHBondContact O-N 3Å; V130-Y143 HydrophobicContact CG2-CE2 4.4Å; V130-L155 HydrophobicContact CG2-CD1 4.05Å; V130-I158 HydrophobicContact CB-CG2 4.11Å; V130-I158 HydrophobicContact CG1-CG2 4.41Å; V130-I158 HydrophobicContact CG2-CG2 3.98Å; V130-F162 HydrophobicContact CB-CD2 4.5Å; V130-F162 HydrophobicContact CG1-CB 3.72Å; V130-F162 HydrophobicContact CG1-CD2 3.84Å; V130-F162 HydrophobicContact CG1-CG 4.04Å; V130-Q164 HydrophobicContact CG1-CB 4.46Å
131K98.7Very high98.7Very high61 Ų6132.3 Ų32.327%0.26514%0.141SC..Hα-helixtrans-61.1-42.6174.9-78.2-174.5177.4-1740112.5T127 Q128 R135 F162 F449T127-K131 HydrophobicContact CG2-CD 4.22Å; T127-K131 WeakPolarHBondContact O-CB 3.49Å; T127-K131 VanDerWaalsContact O-CG 3.28Å; T127-K131 WeakPolarHBondContact O-CG 3.3Å; T127-K131 PolarHBondContact O-N 2.92Å; T127-K131 VanDerWaalsContact O-N 3.14Å; Q128-K131 PolarHBondContact O-N 3.4Å; K131-R135 WeakPolarHBondContact O-CB 3.44Å; K131-R135 WeakPolarHBondContact O-CG 3.35Å; K131-R135 PolarHBondContact O-N 2.83Å; K131-F162 HydrophobicContact CD-CE1 4.2Å; K131-F162 HydrophobicContact CD-CZ 4.17Å; K131-F162 HydrophobicContact CG-CD1 4.23Å; K131-F162 HydrophobicContact CG-CE1 3.92Å; K131-F162 HydrophobicContact CG-CE2 4.35Å; K131-F162 HydrophobicContact CG-CZ 4.02Å; K131-F449 HydrophobicContact CB-CE2 3.76Å; K131-F449 HydrophobicContact CB-CZ 3.83Å; K131-F449 HydrophobicContact CD-CD2 4.43Å; K131-F449 HydrophobicContact CD-CE2 4.19Å; K131-F449 HydrophobicContact CG-CD2 4.36Å; K131-F449 HydrophobicContact CG-CE1 4.4Å; K131-F449 HydrophobicContact CG-CE2 3.75Å; K131-F449 HydrophobicContact CG-CZ 3.82Å; K131-F449 WeakPolarHBondContact O-CZ 3.23Å
132R98.8Very high98.7Very high82 Ų8230.9 Ų30.931%0.30913%0.134SC..Hα-helixtrans-68-46.3-177.1179.360.263.2-178.15.8111.6Y90 Q128 V129 V130 R135 N136 P340Y90-R132 HydrophobicContact CE2-CG 4.41Å; Y90-R132 WeakPolarHBondContact OH-CG 3.43Å; Q128-R132 VanDerWaalsContact O-CB 3.25Å; Q128-R132 WeakPolarHBondContact O-CB 3.47Å; Q128-R132 PolarHBondContact O-N 2.72Å; V129-R132 PolarHBondContact O-N 2.94Å; V130-R132 PolarHBondContact O-N 2.92Å; R132-R135 PolarHBondContact O-N 2.82Å; R132-N136 VanDerWaalsContact CD-ND2 3.29Å; R132-N136 WeakPolarHBondContact CD-ND2 3.49Å; R132-N136 PolarHBondContact O-N 2.77Å; R132-N136 PolarHBondContact O-ND2 2.91Å; R132-P340 HydrophobicContact CG-CB 4.23Å; R132-P340 HydrophobicContact CG-CG 3.76Å
133T98.9Very high98.8Very high0 Ų030.9 Ų30.90%013%0.134CC..Hα-helixtrans-65.9-43.8-179.752.20000111.1I85 V129 V130 R135 N136 G137 T138 Y143 Q164 P340I85-T133 HydrophobicContact CD1-CG2 4.02Å; V129-T133 HydrophobicContact CG2-CG2 4.19Å; V129-T133 WeakPolarHBondContact O-CB 3.29Å; V129-T133 VanDerWaalsContact O-CG2 3.32Å; V129-T133 WeakPolarHBondContact O-CG2 3.11Å; V129-T133 PolarHBondContact O-N 3.07Å; V129-T133 PolarHBondContact O-OG1 3.09Å; V130-T133 PolarHBondContact O-OG1 2.72Å; V130-T133 VanDerWaalsContact O-OG1 3.13Å; T133-R135 PolarHBondContact O-N 3.46Å; T133-N136 CarbonylContact O-C 3.56Å; T133-N136 PolarHBondContact O-N 2.72Å; T133-N136 VanDerWaalsContact O-N 3.11Å; T133-G137 PolarHBondContact O-N 2.9Å; T133-T138 WeakPolarHBondContact O-CB 3.34Å; T133-T138 PolarHBondContact O-N 3.19Å; T133-Y143 PolarHBondContact OG1-OH 3.34Å; T133-Q164 PolarHBondContact OG1-NE2 2.97Å; T133-Q164 VanDerWaalsContact OG1-NE2 3.13Å; T133-P340 HydrophobicContact CG2-CB 4.39Å
134L98.9Very high98.8Very high0 Ų026 Ų260%011%0.113CC..Hα-helixtrans-57.8-46.8172.1-81.1174.3000112.6V130 N136 G137 F162 Q164 V439 V441 V446 V447 F449V130-L134 HydrophobicContact CG1-CD1 4.1Å; V130-L134 WeakPolarHBondContact O-CB 3.43Å; V130-L134 WeakPolarHBondContact O-CG 3.26Å; V130-L134 PolarHBondContact O-N 3Å; L134-N136 PolarHBondContact O-N 2.66Å; L134-G137 PolarHBondContact O-N 3.06Å; L134-F162 HydrophobicContact CD1-CB 3.71Å; L134-Q164 HydrophobicContact CD1-CB 4.16Å; L134-Q164 HydrophobicContact CD2-CB 3.97Å; L134-Q164 HydrophobicContact CD2-CG 3.82Å; L134-Q164 HydrophobicContact CG-CB 4.16Å; L134-Q164 HydrophobicContact CG-CG 4.13Å; L134-V439 WeakPolarHBondContact O-CG2 3.15Å; L134-V441 HydrophobicContact CD2-CG2 4.41Å; L134-V446 HydrophobicContact CD2-CG2 3.91Å; L134-V447 HydrophobicContact CB-CG2 4.05Å; L134-F449 HydrophobicContact CB-CE1 4.24Å; L134-F449 HydrophobicContact CB-CZ 4.1Å; L134-F449 HydrophobicContact CD1-CE1 3.96Å; L134-F449 HydrophobicContact CD1-CZ 4.47Å
135R98.4Very high98.8Very high103 Ų10318.8 Ų18.839%0.3898%0.082SC..Hα-helixtrans-61-31.8176-79.1178.1175167.71.4113K131 R132 T133 G137 D433 V447 F449K131-R135 WeakPolarHBondContact O-CB 3.44Å; K131-R135 WeakPolarHBondContact O-CG 3.35Å; K131-R135 PolarHBondContact O-N 2.83Å; R132-R135 PolarHBondContact O-N 2.82Å; T133-R135 PolarHBondContact O-N 3.46Å; R135-G137 PolarHBondContact O-N 3.46Å; R135-D433 WeakPolarHBondContact O-CB 3.39Å; R135-V447 HydrophobicContact CG-CG1 4.4Å; R135-F449 HydrophobicContact CG-CE2 3.63Å; R135-F449 HydrophobicContact CG-CZ 3.93Å
136N98.7Very high98.8Very high12 Ų1218.3 Ų18.36%0.0648%0.079CC..THydrogen-bonded Turntrans-82.67.9174.2-80.6-91.5000113.1M80 R132 T133 L134 S341 I436M80-N136 WeakPolarHBondContact CE-O 3.28Å; R132-N136 VanDerWaalsContact CD-ND2 3.29Å; R132-N136 WeakPolarHBondContact CD-ND2 3.49Å; R132-N136 PolarHBondContact O-N 2.77Å; R132-N136 PolarHBondContact O-ND2 2.91Å; T133-N136 CarbonylContact O-C 3.56Å; T133-N136 PolarHBondContact O-N 2.72Å; T133-N136 VanDerWaalsContact O-N 3.11Å; L134-N136 PolarHBondContact O-N 2.66Å; N136-S341 WeakPolarHBondContact OD1-CB 3.29Å; N136-S341 PolarHBondContact OD1-OG 3.01Å; N136-I436 VanDerWaalsContact C-CD1 3.42Å; N136-I436 WeakPolarHBondContact O-CD1 3.46Å
137G98.7Very high98.7Very high0 Ų019 Ų190%08%0.083CC..THydrogen-bonded Turntrans83.511.2175.400000115.7M80 T133 L134 R135 T139 L401M80-G137 PolarHBondContact N-O 2.87Å; T133-G137 PolarHBondContact O-N 2.9Å; L134-G137 PolarHBondContact O-N 3.06Å; R135-G137 PolarHBondContact O-N 3.46Å; G137-T139 PolarHBondContact O-N 2.91Å; G137-L401 VanDerWaalsContact CA-CD2 3.41Å; G137-L401 WeakPolarHBondContact O-CD2 3.49Å
138T98.9Very high98.7Very high0 Ų019.6 Ų19.60%08%0.083CC..EExtended strand (participates in β ladder)trans-78.497.6172.6-56.50000109.9M80 D82 T133 T140 A141 Q164M80-T138 CarbonylContact O-C 3.58Å; M80-T138 WeakPolarHBondContact O-CA 2.99Å; D82-T138 HydrophobicContact CB-CG2 3.58Å; T133-T138 WeakPolarHBondContact O-CB 3.34Å; T133-T138 PolarHBondContact O-N 3.19Å; T138-T140 VanDerWaalsContact CG2-O 3.25Å; T138-T140 WeakPolarHBondContact CG2-O 3.45Å; T138-A141 HydrophobicContact CG2-CB 4.22Å; T138-Q164 PolarHBondContact O-NE2 2.82Å
139T98.9Very high98.7Very high0 Ų015.2 Ų15.20%06%0.063CC..EExtended strand (participates in β ladder)trans-81.5-27.4179.2560000112.6G79 M80 G137 R165 D399 L401 V439 F440 V441G79-T139 VanDerWaalsContact CA-OG1 3.3Å; G79-T139 WeakPolarHBondContact CA-OG1 3.27Å; M80-T139 PolarHBondContact O-N 2.62Å; M80-T139 PolarHBondContact O-OG1 2.95Å; G137-T139 PolarHBondContact O-N 2.91Å; T139-R165 WeakPolarHBondContact O-CB 3.29Å; T139-R165 PolarHBondContact O-N 3.35Å; T139-D399 HydrophobicContact CG2-CB 4.38Å; T139-L401 HydrophobicContact CG2-CD2 4.27Å; T139-V439 HydrophobicContact CG2-CG1 3.69Å; T139-F440 WeakPolarHBondContact CG2-O 3.34Å; T139-V441 HydrophobicContact CG2-CG2 3.87Å
140T98.9Very high98.6Very high0 Ų018.7 Ų18.70%08%0.082CC..EExtended strand (participates in β ladder)trans-126.9129.5178-54.40000110.7I81 D82 T138 R165 L383 L385I81-T140 WeakPolarHBondContact CA-O 3.39Å; I81-T140 HydrophobicContact CG2-CG2 4.16Å; D82-T140 PolarHBondContact N-O 3.41Å; T138-T140 VanDerWaalsContact CG2-O 3.25Å; T138-T140 WeakPolarHBondContact CG2-O 3.45Å; T140-R165 VanDerWaalsContact CA-O 3.23Å; T140-R165 WeakPolarHBondContact CA-O 3.25Å; T140-R165 HydrophobicContact CG2-CB 4.29Å; T140-R165 HydrophobicContact CG2-CG 4.08Å; T140-R165 WeakPolarHBondContact OG1-CD 3.29Å; T140-L383 HydrophobicContact CG2-CD1 4.02Å; T140-L385 HydrophobicContact CG2-CD1 4Å
141A98.9Very high98.6Very high0 Ų018.7 Ų18.70%08%0.082CC..EExtended strand (participates in β ladder)trans-131.9137.7177.400000112.5D82 I85 T138 Y143 R165 A166 L167D82-A141 CarbonylContact O-C 3.54Å; D82-A141 WeakPolarHBondContact O-CA 3.49Å; I85-A141 HydrophobicContact CG2-CB 4.29Å; T138-A141 HydrophobicContact CG2-CB 4.22Å; A141-Y143 HydrophobicContact CB-CD1 4.46Å; A141-Y143 HydrophobicContact CB-CD2 4Å; A141-Y143 HydrophobicContact CB-CE1 3.96Å; A141-Y143 HydrophobicContact CB-CE2 3.45Å; A141-Y143 VanDerWaalsContact CB-CE2 3.45Å; A141-Y143 HydrophobicContact CB-CG 4.46Å; A141-Y143 VanDerWaalsContact CB-CZ 3.41Å; A141-R165 PolarHBondContact N-O 2.99Å; A141-A166 VanDerWaalsContact O-CA 3.25Å; A141-A166 WeakPolarHBondContact O-CA 3.23Å; A141-L167 PolarHBondContact O-N 3.46Å
142C98.9Very high98.6Very high0 Ų015.8 Ų15.80%07%0.069CC..EExtended strand (participates in β ladder)trans-101.998.1171-160.20000109.4D82 T83 I85 L167 Q241 L383D82-C142 PolarHBondContact O-N 2.95Å; T83-C142 VanDerWaalsContact O-CB 3.29Å; T83-C142 WeakPolarHBondContact O-CB 3.24Å; I85-C142 WeakPolarHBondContact CG2-O 3.24Å; I85-C142 PolarHBondContact N-O 3.1Å; I85-C142 VanDerWaalsContact N-O 3.16Å; C142-L167 HydrophobicContact CB-CB 4.43Å; C142-Q241 PolarHBondContact SG-OE1 2.93Å; C142-L383 HydrophobicContact CB-CD1 4.28Å; C142-L383 HydrophobicContact CB-CD2 3.98Å
143Y98.9Very high98.6Very high0 Ų012.7 Ų12.70%06%0.059CC..EExtended strand (participates in β ladder)trans-91.7128.7-171.2-72.5-60.5000112.7I85 A87 V130 T133 A141 L155 Q164 A166 L167 V168 G169 Q241I85-Y143 HydrophobicContact CB-CD1 4.36Å; I85-Y143 HydrophobicContact CB-CE1 4.43Å; I85-Y143 HydrophobicContact CD1-CE1 4.05Å; I85-Y143 HydrophobicContact CG1-CD1 4.25Å; I85-Y143 HydrophobicContact CG1-CE1 4.1Å; I85-Y143 HydrophobicContact CG2-CD1 3.41Å; I85-Y143 VanDerWaalsContact CG2-CD1 3.41Å; I85-Y143 HydrophobicContact CG2-CE1 3.51Å; I85-Y143 HydrophobicContact CG2-CG 4.33Å; I85-Y143 WeakPolarHBondContact O-CA 3.4Å; A87-Y143 HydrophobicContact CB-CD1 3.72Å; A87-Y143 HydrophobicContact CB-CE1 4.22Å; A87-Y143 HydrophobicContact CB-CG 4.29Å; V130-Y143 HydrophobicContact CG2-CE2 4.4Å; T133-Y143 PolarHBondContact OG1-OH 3.34Å; A141-Y143 HydrophobicContact CB-CD1 4.46Å; A141-Y143 HydrophobicContact CB-CD2 4Å; A141-Y143 HydrophobicContact CB-CE1 3.96Å; A141-Y143 HydrophobicContact CB-CE2 3.45Å; A141-Y143 VanDerWaalsContact CB-CE2 3.45Å; A141-Y143 HydrophobicContact CB-CG 4.46Å; A141-Y143 VanDerWaalsContact CB-CZ 3.41Å; Y143-L155 HydrophobicContact CD2-CD1 4.49Å; Y143-L155 HydrophobicContact CD2-CD2 4.37Å; Y143-L155 HydrophobicContact CG-CD2 4.09Å; Y143-Q164 PolarHBondContact OH-OE1 3.43Å; Y143-A166 HydrophobicContact CD2-CB 4.18Å; Y143-A166 HydrophobicContact CE2-CB 4.35Å; Y143-L167 PolarHBondContact N-O 3.3Å; Y143-V168 HydrophobicContact CD2-CG2 4.46Å; Y143-G169 PolarHBondContact O-N 3.01Å; Y143-Q241 PolarHBondContact O-NE2 3.19Å
144F98.9Very high98.6Very high0 Ų014.2 Ų14.20%07%0.066CC..EExtended strand (participates in β ladder)trans-80126.2151.1-80.5-116.7000108.6H84 I85 H86 A87 P88 V171 T214 Q241 H243H84-F144 AromaticContact CE1-CD2 3.58Å; H84-F144 AromaticContact CE1-CE2 3.26Å; H84-F144 WeakPolarHBondContact CE1-CE2 3.31Å; H84-F144 AromaticContact CE1-CZ 3.82Å; H84-F144 AromaticContact ND1-CD2 3.72Å; H84-F144 AromaticContact ND1-CE2 3.34Å; H84-F144 VanDerWaalsContact ND1-CE2 3.34Å; H84-F144 WeakPolarHBondContact ND1-CE2 3.39Å; I85-F144 PolarHBondContact O-N 3.41Å; H86-F144 HydrophobicContact CB-CB 4.21Å; H86-F144 AromaticContact CE1-CD1 3.69Å; H86-F144 AromaticContact CE1-CG 3.77Å; H86-F144 WeakPolarHBondContact ND1-CB 3.38Å; H86-F144 AromaticContact ND1-CD1 3.89Å; H86-F144 AromaticContact ND1-CG 3.76Å; A87-F144 PolarHBondContact N-O 2.83Å; P88-F144 WeakPolarHBondContact CD-O 3.5Å; F144-V171 HydrophobicContact CB-CG2 4.42Å; F144-V171 HydrophobicContact CD1-CG2 3.95Å; F144-T214 HydrophobicContact CD1-CG2 3.39Å; F144-T214 HydrophobicContact CD2-CG2 4.34Å; F144-T214 HydrophobicContact CE1-CG2 3.21Å; F144-T214 HydrophobicContact CE2-CG2 4.19Å; F144-T214 HydrophobicContact CG-CG2 3.97Å; F144-T214 HydrophobicContact CZ-CG2 3.65Å; F144-Q241 HydrophobicContact CD2-CG 4.11Å; F144-Q241 VanDerWaalsContact CD2-OE1 3.29Å; F144-Q241 HydrophobicContact CE2-CB 3.91Å; F144-Q241 HydrophobicContact CE2-CG 3.38Å; F144-Q241 HydrophobicContact CZ-CB 4.21Å; F144-Q241 HydrophobicContact CZ-CG 3.65Å; F144-H243 AromaticContact CE1-CE1 3.45Å; F144-H243 VanDerWaalsContact CE1-CE1 3.45Å; F144-H243 WeakPolarHBondContact CE1-CE1 3.42Å; F144-H243 AromaticContact CE1-ND1 3.89Å; F144-H243 AromaticContact CZ-CE1 3.64Å; F144-H243 AromaticContact CZ-ND1 3.93Å
145A98.6Very high98.6Very high0 Ų014.2 Ų14.20%07%0.066CC..  trans-95.5-137.7169.500000109.6P88 S152 L155 G169 V171P88-A145 WeakPolarHBondContact CG-O 3.2Å; A145-S152 VanDerWaalsContact CB-OG 3.27Å; A145-S152 WeakPolarHBondContact CB-OG 3.25Å; A145-L155 HydrophobicContact CB-CD2 4.12Å; A145-G169 VanDerWaalsContact CB-O 3.3Å; A145-G169 WeakPolarHBondContact CB-O 3.3Å; A145-G169 PolarHBondContact N-O 3.2Å; A145-V171 WeakPolarHBondContact O-CG2 3.2Å
146T98.4Very high98.6Very high0 Ų09.3 Ų9.30%05%0.048CC..  trans-121-175.7173.8640000110.1P88 E113 F116 H148 S152 V171 Y182P88-T146 HydrophobicContact CB-CG2 3.52Å; P88-T146 HydrophobicContact CG-CG2 3.66Å; E113-T146 HydrophobicContact CB-CG2 3.91Å; E113-T146 HydrophobicContact CG-CG2 4.15Å; F116-T146 HydrophobicContact CB-CG2 3.72Å; F116-T146 HydrophobicContact CD1-CG2 4.25Å; F116-T146 HydrophobicContact CD2-CG2 3.93Å; F116-T146 HydrophobicContact CG-CG2 3.69Å; T146-H148 PolarHBondContact O-N 3.33Å; T146-H148 PolarHBondContact OG1-N 2.87Å; T146-H148 PolarHBondContact OG1-ND1 3.3Å; T146-S152 PolarHBondContact O-OG 3.11Å; T146-V171 PolarHBondContact O-N 3.01Å; T146-Y182 WeakPolarHBondContact CB-OH 3.32Å
147I97.4Very high98.6Very high15 Ų1512.6 Ų12.68%0.0776%0.063CC..SBendtrans-66.8-17.1171.169.9-179.7000112.9T149 K170 V171 M173 Y182 E184I147-T149 PolarHBondContact O-N 2.79Å; I147-K170 WeakPolarHBondContact O-CE 3.37Å; I147-V171 WeakPolarHBondContact CA-O 3.41Å; I147-V171 HydrophobicContact CG2-CB 4.41Å; I147-V171 HydrophobicContact CG2-CG1 4.41Å; I147-M173 HydrophobicContact CG2-CE 4.09Å; I147-M173 HydrophobicContact CG2-CG 3.5Å; I147-M173 HydrophobicContact CG2-SD 3.93Å; I147-Y182 HydrophobicContact CD1-CD2 3.67Å; I147-Y182 HydrophobicContact CD1-CE2 3.66Å; I147-Y182 HydrophobicContact CD1-CG 4.38Å; I147-Y182 HydrophobicContact CG1-CD2 4.16Å; I147-Y182 HydrophobicContact CG1-CE2 3.61Å; I147-Y182 HydrophobicContact CG2-CE2 4.35Å; I147-Y182 PolarHBondContact N-OH 3.46Å; I147-E184 HydrophobicContact CB-CG 4.16Å; I147-E184 HydrophobicContact CD1-CG 4.25Å
148H97.9Very high98.6Very high42 Ų4213 Ų1319%0.1947%0.065CC..  trans-79.9117.6-175.7-4698.9000111.2E113 T146 A151 S152 Y182E113-H148 PolarHBondContact O-CE1 3.33Å; T146-H148 PolarHBondContact O-N 3.33Å; T146-H148 PolarHBondContact OG1-N 2.87Å; T146-H148 PolarHBondContact OG1-ND1 3.3Å; H148-A151 HydrophobicContact CB-CB 4.04Å; H148-S152 WeakPolarHBondContact O-CB 2.95Å; H148-S152 PolarHBondContact O-N 3.01Å; H148-S152 PolarHBondContact O-OG 3.15Å; H148-Y182 AromaticContact CE1-CE2 3.88Å
149T98.3Very high98.6Very high5 Ų513 Ų133%0.0317%0.065CC..Hα-helixtrans-60.3-48.3-178.2-60.20000113I147 A151 S152 L153 E192 R196 F197I147-T149 PolarHBondContact O-N 2.79Å; T149-A151 PolarHBondContact O-N 3.11Å; T149-S152 WeakPolarHBondContact O-CB 3.45Å; T149-S152 PolarHBondContact O-N 3.05Å; T149-S152 VanDerWaalsContact O-N 3.11Å; T149-L153 HydrophobicContact CG2-CD1 3.92Å; T149-L153 HydrophobicContact CG2-CG 4.31Å; T149-L153 WeakPolarHBondContact O-CG 3.37Å; T149-L153 PolarHBondContact O-N 3.16Å; T149-E192 WeakPolarHBondContact CB-OE2 3.34Å; T149-E192 PolarHBondContact OG1-OE2 3.4Å; T149-R196 HydrophobicContact CG2-CB 4.23Å; T149-R196 HydrophobicContact CG2-CG 3.84Å; T149-F197 HydrophobicContact CG2-CB 3.86Å
150D98.3Very high98.6Very high72 Ų7215.2 Ų15.239%0.3858%0.077SC..Hα-helixtrans-65.1-39.4-176.4-69.9-35.3000112.4L119 S152 L153 L154 R196L119-D150 HydrophobicContact CD1-CB 4.35Å; L119-D150 HydrophobicContact CD2-CB 3.93Å; D150-S152 VanDerWaalsContact C-N 3.33Å; D150-L153 PolarHBondContact O-N 3.13Å; D150-L154 WeakPolarHBondContact O-CB 3.45Å; D150-L154 PolarHBondContact O-N 2.89Å; D150-R196 IonicContact OD1-CZ 2.86Å; D150-R196 IonicContact OD1-NE 3.4Å; D150-R196 IonicContact OD1-NH2 3.61Å; D150-R196 PolarHBondContact OD1-NH2 2.93Å; D150-R196 IonicContact OD2-CZ 3.3Å; D150-R196 IonicContact OD2-NH2 2.96Å; D150-R196 PolarHBondContact OD2-NH2 3.21Å
151A98.5Very high98.6Very high0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-64-40.6173.300000111.3F116 L119 A122 Y126 H148 T149 L154 L155F116-A151 HydrophobicContact CB-CB 4.27Å; F116-A151 WeakPolarHBondContact O-CB 3.37Å; L119-A151 HydrophobicContact CD2-CB 4.17Å; A122-A151 HydrophobicContact CB-CB 4.05Å; Y126-A151 HydrophobicContact CE2-CB 4.25Å; Y126-A151 WeakPolarHBondContact CE2-O 3.46Å; H148-A151 HydrophobicContact CB-CB 4.04Å; T149-A151 PolarHBondContact O-N 3.11Å; A151-L154 WeakPolarHBondContact O-CB 3.42Å; A151-L154 PolarHBondContact O-N 3.38Å; A151-L155 PolarHBondContact O-N 3.02Å
152S98.6Very high98.6Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-66.5-39.3177.9-55.40000112.2A145 T146 H148 T149 D150 L154 L155 G156 V168A145-S152 VanDerWaalsContact CB-OG 3.27Å; A145-S152 WeakPolarHBondContact CB-OG 3.25Å; T146-S152 PolarHBondContact O-OG 3.11Å; H148-S152 WeakPolarHBondContact O-CB 2.95Å; H148-S152 PolarHBondContact O-N 3.01Å; H148-S152 PolarHBondContact O-OG 3.15Å; T149-S152 WeakPolarHBondContact O-CB 3.45Å; T149-S152 PolarHBondContact O-N 3.05Å; T149-S152 VanDerWaalsContact O-N 3.11Å; D150-S152 VanDerWaalsContact C-N 3.33Å; S152-L154 VanDerWaalsContact C-N 3.34Å; S152-L155 PolarHBondContact O-N 3.18Å; S152-G156 PolarHBondContact O-N 3.47Å; S152-V168 WeakPolarHBondContact O-CG1 3.06Å
153L98.8Very high98.5Very high18 Ų1823.1 Ų23.19%0.09412%0.122CC..Hα-helixtrans-64.8-39172.6-70.9170.1000111.7T149 D150 G156 Q157 F197 E200 L201T149-L153 HydrophobicContact CG2-CD1 3.92Å; T149-L153 HydrophobicContact CG2-CG 4.31Å; T149-L153 WeakPolarHBondContact O-CG 3.37Å; T149-L153 PolarHBondContact O-N 3.16Å; D150-L153 PolarHBondContact O-N 3.13Å; L153-G156 PolarHBondContact O-N 3.43Å; L153-Q157 PolarHBondContact O-N 2.81Å; L153-F197 HydrophobicContact CD2-CD2 3.92Å; L153-F197 HydrophobicContact CD2-CE2 4.25Å; L153-F197 HydrophobicContact CG-CD2 4.08Å; L153-E200 HydrophobicContact CD1-CB 4.14Å; L153-E200 WeakPolarHBondContact CD1-OE2 3.43Å; L153-E200 HydrophobicContact CD2-CB 3.99Å; L153-L201 HydrophobicContact CD2-CB 3.89Å; L153-L201 HydrophobicContact CD2-CD1 4.25Å
154L98.8Very high98.5Very high31 Ų3123.1 Ų23.116%0.16212%0.122CC..Hα-helixtrans-62.5-40.9175.4176.662.9000111.8A122 K123 D150 A151 S152 G156 Q157 I158A122-L154 HydrophobicContact CB-CD2 4.21Å; K123-L154 HydrophobicContact CB-CD2 3.93Å; D150-L154 WeakPolarHBondContact O-CB 3.45Å; D150-L154 PolarHBondContact O-N 2.89Å; A151-L154 WeakPolarHBondContact O-CB 3.42Å; A151-L154 PolarHBondContact O-N 3.38Å; S152-L154 VanDerWaalsContact C-N 3.34Å; L154-G156 VanDerWaalsContact C-N 3.31Å; L154-G156 PolarHBondContact O-N 2.79Å; L154-Q157 PolarHBondContact O-N 3.03Å; L154-I158 HydrophobicContact CD1-CD1 4.02Å; L154-I158 HydrophobicContact CD1-CG1 4.21Å; L154-I158 HydrophobicContact CG-CD1 3.87Å; L154-I158 HydrophobicContact CG-CG1 4.48Å; L154-I158 WeakPolarHBondContact O-CB 3.3Å; L154-I158 VanDerWaalsContact O-CG1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.37Å; L154-I158 PolarHBondContact O-N 3.02Å
155L98.9Very high98.5Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-59.1-43.8172.117757.3000111.4A87 Y126 V130 Y143 A145 A151 S152 Q157 I158 A159 V168A87-L155 HydrophobicContact CB-CD1 4.24Å; A87-L155 HydrophobicContact CB-CD2 3.58Å; Y126-L155 HydrophobicContact CD1-CB 4.43Å; Y126-L155 HydrophobicContact CD1-CD1 3.89Å; Y126-L155 HydrophobicContact CD1-CD2 4.28Å; Y126-L155 HydrophobicContact CD1-CG 4.43Å; Y126-L155 HydrophobicContact CD2-CB 3.72Å; Y126-L155 HydrophobicContact CD2-CD1 4.4Å; Y126-L155 HydrophobicContact CE1-CD2 4.09Å; Y126-L155 HydrophobicContact CE2-CB 3.85Å; Y126-L155 HydrophobicContact CG-CB 4.03Å; Y126-L155 HydrophobicContact CG-CD1 3.81Å; Y126-L155 HydrophobicContact CG-CG 4.38Å; V130-L155 HydrophobicContact CG2-CD1 4.05Å; Y143-L155 HydrophobicContact CD2-CD1 4.49Å; Y143-L155 HydrophobicContact CD2-CD2 4.37Å; Y143-L155 HydrophobicContact CG-CD2 4.09Å; A145-L155 HydrophobicContact CB-CD2 4.12Å; A151-L155 PolarHBondContact O-N 3.02Å; S152-L155 PolarHBondContact O-N 3.18Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 2.96Å; L155-I158 PolarHBondContact O-N 3.4Å; L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 2.95Å; L155-V168 HydrophobicContact CB-CG1 4.29Å; L155-V168 HydrophobicContact CD2-CG1 4.03Å; L155-V168 HydrophobicContact CG-CG1 4.15Å; L155-V168 HydrophobicContact CG-CG2 4.33Å
156G98.8Very high98.5Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-61.1-39.8175.500000113.4S152 L153 L154 N160S152-G156 PolarHBondContact O-N 3.47Å; L153-G156 PolarHBondContact O-N 3.43Å; L154-G156 VanDerWaalsContact C-N 3.31Å; L154-G156 PolarHBondContact O-N 2.79Å; G156-N160 WeakPolarHBondContact O-CB 3.37Å; G156-N160 PolarHBondContact O-N 3.03Å; G156-N160 VanDerWaalsContact O-N 3.13Å
157Q98.8Very high98.5Very high82 Ų8223.9 Ų23.938%0.38313%0.125SC..Hα-helixtrans-63.9-48.7172.7179.8179.3-11.500111.6L153 L154 L155 A159 N160 D161L153-Q157 PolarHBondContact O-N 2.81Å; L154-Q157 PolarHBondContact O-N 3.03Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 2.96Å; Q157-A159 PolarHBondContact O-N 3.01Å; Q157-N160 WeakPolarHBondContact O-CB 3.32Å; Q157-N160 PolarHBondContact O-N 3.03Å; Q157-N160 VanDerWaalsContact O-N 3.15Å; Q157-D161 WeakPolarHBondContact CG-OD2 3.4Å; Q157-D161 WeakPolarHBondContact O-CB 3.45Å; Q157-D161 PolarHBondContact O-N 2.88Å
158I98.8Very high98.6Very high9 Ų923.1 Ų23.15%0.04612%0.121CC..Hα-helixtrans-60.2-45.1-179.6-70.7167.6000110.9V130 L154 L155 N160 D161 F162V130-I158 HydrophobicContact CB-CG2 4.11Å; V130-I158 HydrophobicContact CG1-CG2 4.41Å; V130-I158 HydrophobicContact CG2-CG2 3.98Å; L154-I158 HydrophobicContact CD1-CD1 4.02Å; L154-I158 HydrophobicContact CD1-CG1 4.21Å; L154-I158 HydrophobicContact CG-CD1 3.87Å; L154-I158 HydrophobicContact CG-CG1 4.48Å; L154-I158 WeakPolarHBondContact O-CB 3.3Å; L154-I158 VanDerWaalsContact O-CG1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.37Å; L154-I158 PolarHBondContact O-N 3.02Å; L155-I158 PolarHBondContact O-N 3.4Å; I158-N160 VanDerWaalsContact C-N 3.31Å; I158-N160 PolarHBondContact O-N 2.85Å; I158-D161 PolarHBondContact O-N 3.19Å; I158-F162 HydrophobicContact CG2-CD2 3.77Å; I158-F162 HydrophobicContact CG2-CE2 3.91Å; I158-F162 VanDerWaalsContact O-CD2 3.28Å; I158-F162 WeakPolarHBondContact O-CD2 3.21Å; I158-F162 PolarHBondContact O-N 2.92Å
159A98.8Very high98.7Very high0 Ų021.1 Ų21.10%011%0.112CC..Hα-helixtrans-59.2-4317600000111.7L155 Q157 G163 Q164 A166 V209L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 2.95Å; Q157-A159 PolarHBondContact O-N 3.01Å; A159-G163 PolarHBondContact O-N 2.82Å; A159-G163 VanDerWaalsContact O-N 3.09Å; A159-Q164 PolarHBondContact O-N 2.96Å; A159-A166 HydrophobicContact CB-CB 3.94Å; A159-V209 HydrophobicContact CB-CG2 4.03Å
160N98.6Very high98.7Very high45 Ų4521 Ų2124%0.24111%0.111CC..Hα-helixtrans-62.7-45174.6172.184.4000112.4G156 Q157 I158 F162 G163 Y206 V209G156-N160 WeakPolarHBondContact O-CB 3.37Å; G156-N160 PolarHBondContact O-N 3.03Å; G156-N160 VanDerWaalsContact O-N 3.13Å; Q157-N160 WeakPolarHBondContact O-CB 3.32Å; Q157-N160 PolarHBondContact O-N 3.03Å; Q157-N160 VanDerWaalsContact O-N 3.15Å; I158-N160 VanDerWaalsContact C-N 3.31Å; I158-N160 PolarHBondContact O-N 2.85Å; N160-F162 VanDerWaalsContact C-N 3.33Å; N160-F162 PolarHBondContact O-N 2.81Å; N160-G163 WeakPolarHBondContact O-CA 3.47Å; N160-G163 PolarHBondContact O-N 3.45Å; N160-Y206 HydrophobicContact CB-CD1 3.75Å; N160-Y206 HydrophobicContact CB-CD2 4.09Å; N160-Y206 HydrophobicContact CB-CE1 3.98Å; N160-Y206 HydrophobicContact CB-CE2 4.29Å; N160-Y206 HydrophobicContact CB-CG 3.82Å; N160-Y206 WeakPolarHBondContact OD1-CD1 3.33Å; N160-V209 HydrophobicContact CB-CG2 4.01Å
161D98.3Very high98.7Very high99 Ų9917.5 Ų17.553%0.5299%0.093SC..Hα-helixtrans-66.4-35.6-175.8-67.4-8.4000111.7Q157 I158 G163Q157-D161 WeakPolarHBondContact CG-OD2 3.4Å; Q157-D161 WeakPolarHBondContact O-CB 3.45Å; Q157-D161 PolarHBondContact O-N 2.88Å; I158-D161 PolarHBondContact O-N 3.19Å; D161-G163 VanDerWaalsContact C-N 3.31Å
162F98.4Very high98.6Very high48 Ų4817.5 Ų17.521%0.2119%0.093CC..THydrogen-bonded Turntrans-84-1.9171.5-71.9-68.3000114T127 V130 K131 L134 I158 N160 Q164 F449T127-F162 HydrophobicContact CG2-CE2 3.95Å; T127-F162 HydrophobicContact CG2-CZ 4.06Å; V130-F162 HydrophobicContact CB-CD2 4.5Å; V130-F162 HydrophobicContact CG1-CB 3.72Å; V130-F162 HydrophobicContact CG1-CD2 3.84Å; V130-F162 HydrophobicContact CG1-CG 4.04Å; K131-F162 HydrophobicContact CD-CE1 4.2Å; K131-F162 HydrophobicContact CD-CZ 4.17Å; K131-F162 HydrophobicContact CG-CD1 4.23Å; K131-F162 HydrophobicContact CG-CE1 3.92Å; K131-F162 HydrophobicContact CG-CE2 4.35Å; K131-F162 HydrophobicContact CG-CZ 4.02Å; L134-F162 HydrophobicContact CD1-CB 3.71Å; I158-F162 HydrophobicContact CG2-CD2 3.77Å; I158-F162 HydrophobicContact CG2-CE2 3.91Å; I158-F162 VanDerWaalsContact O-CD2 3.28Å; I158-F162 WeakPolarHBondContact O-CD2 3.21Å; I158-F162 PolarHBondContact O-N 2.92Å; N160-F162 VanDerWaalsContact C-N 3.33Å; N160-F162 PolarHBondContact O-N 2.81Å; F162-Q164 VanDerWaalsContact C-N 3.34Å; F162-Q164 PolarHBondContact O-N 3.35Å; F162-F449 HydrophobicContact CD1-CD1 4.07Å; F162-F449 HydrophobicContact CD1-CE1 4.13Å
163G98.3Very high98.5Very high20 Ų2017.6 Ų17.621%0.2069%0.093CC..THydrogen-bonded Turntrans72.220.3177.200000115A159 N160 D161 V441A159-G163 PolarHBondContact O-N 2.82Å; A159-G163 VanDerWaalsContact O-N 3.09Å; N160-G163 WeakPolarHBondContact O-CA 3.47Å; N160-G163 PolarHBondContact O-N 3.45Å; D161-G163 VanDerWaalsContact C-N 3.31Å; G163-V441 VanDerWaalsContact O-CB 3.31Å; G163-V441 WeakPolarHBondContact O-CB 3.46Å; G163-V441 WeakPolarHBondContact O-CG1 3.39Å
164Q98.9Very high98.3Very high0 Ų017.5 Ų17.50%09%0.093CC..  trans-78.2140.6175.6-163.2176.837.700110.6V130 T133 L134 T138 Y143 A159 F162V130-Q164 HydrophobicContact CG1-CB 4.46Å; T133-Q164 PolarHBondContact OG1-NE2 2.97Å; T133-Q164 VanDerWaalsContact OG1-NE2 3.13Å; L134-Q164 HydrophobicContact CD1-CB 4.16Å; L134-Q164 HydrophobicContact CD2-CB 3.97Å; L134-Q164 HydrophobicContact CD2-CG 3.82Å; L134-Q164 HydrophobicContact CG-CB 4.16Å; L134-Q164 HydrophobicContact CG-CG 4.13Å; T138-Q164 PolarHBondContact O-NE2 2.82Å; Y143-Q164 PolarHBondContact OH-OE1 3.43Å; A159-Q164 PolarHBondContact O-N 2.96Å; F162-Q164 VanDerWaalsContact C-N 3.34Å; F162-Q164 PolarHBondContact O-N 3.35Å
165R98.9Very high98Very high10 Ų1019 Ų194%0.03810%0.096CC..EExtended strand (participates in β ladder)trans-76129167.7-171.9-175.2-52.1-82.8-4.4108.6T139 T140 A141 L208 D397 D399 V441T139-R165 WeakPolarHBondContact O-CB 3.29Å; T139-R165 PolarHBondContact O-N 3.35Å; T140-R165 VanDerWaalsContact CA-O 3.23Å; T140-R165 WeakPolarHBondContact CA-O 3.25Å; T140-R165 HydrophobicContact CG2-CB 4.29Å; T140-R165 HydrophobicContact CG2-CG 4.08Å; T140-R165 WeakPolarHBondContact OG1-CD 3.29Å; A141-R165 PolarHBondContact N-O 2.99Å; R165-L208 HydrophobicContact CB-CB 4.34Å; R165-L208 HydrophobicContact CG-CB 4.41Å; R165-D397 IonicContact CZ-OD2 3.29Å; R165-D397 VanDerWaalsContact CZ-OD2 3.31Å; R165-D397 IonicContact NH1-OD2 2.78Å; R165-D397 PolarHBondContact NH1-OD2 3.22Å; R165-D397 VanDerWaalsContact NH1-OD2 3.07Å; R165-D397 VanDerWaalsContact NH2-CB 3.34Å; R165-D397 IonicContact NH2-OD2 3.18Å; R165-D397 PolarHBondContact NH2-OD2 3.5Å; R165-D399 IonicContact CZ-OD2 2.77Å; R165-D399 IonicContact NE-OD2 2.66Å; R165-D399 PolarHBondContact NE-OD2 2.92Å; R165-D399 IonicContact NH2-OD1 2.63Å; R165-D399 PolarHBondContact NH2-OD1 3.41Å; R165-D399 IonicContact NH2-OD2 3.54Å; R165-D399 PolarHBondContact NH2-OD2 2.78Å; R165-V441 HydrophobicContact CB-CG1 4.2Å
166A98.8Very high97.4Very high1 Ų119.5 Ų19.51%0.00810%0.099CC..EExtended strand (participates in β ladder)trans-146.1142-175.300000113.7A141 Y143 A159 V168 L208 V209 K210A141-A166 VanDerWaalsContact O-CA 3.25Å; A141-A166 WeakPolarHBondContact O-CA 3.23Å; Y143-A166 HydrophobicContact CD2-CB 4.18Å; Y143-A166 HydrophobicContact CE2-CB 4.35Å; A159-A166 HydrophobicContact CB-CB 3.94Å; A166-V168 HydrophobicContact CB-CG2 4.09Å; A166-L208 PolarHBondContact N-O 3.01Å; A166-V209 HydrophobicContact CB-CG2 4.37Å; A166-V209 CarbonylContact O-C 3.52Å; A166-V209 VanDerWaalsContact O-CA 3.29Å; A166-V209 WeakPolarHBondContact O-CA 3.43Å; A166-K210 PolarHBondContact O-N 2.77Å
167L98.9Very high96.4Very high4 Ų425.1 Ų25.12%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-98123.4155.6-60.6-178.2000106.7A141 C142 Y143 K210 V212 H239 L383A141-L167 PolarHBondContact O-N 3.46Å; C142-L167 HydrophobicContact CB-CB 4.43Å; Y143-L167 PolarHBondContact N-O 3.3Å; L167-K210 WeakPolarHBondContact CA-O 3.38Å; L167-K210 HydrophobicContact CD2-CB 3.87Å; L167-V212 HydrophobicContact CB-CB 4.12Å; L167-V212 HydrophobicContact CB-CG1 3.87Å; L167-H239 HydrophobicContact CD1-CB 4.19Å; L167-L383 HydrophobicContact CD1-CD2 4.21Å
168V98.9Very high95.4Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-114.6126.4-179.5179.50000109.4Y143 S152 L155 A166 F197 L201 V209 K210 P211 V212Y143-V168 HydrophobicContact CD2-CG2 4.46Å; S152-V168 WeakPolarHBondContact O-CG1 3.06Å; L155-V168 HydrophobicContact CB-CG1 4.29Å; L155-V168 HydrophobicContact CD2-CG1 4.03Å; L155-V168 HydrophobicContact CG-CG1 4.15Å; L155-V168 HydrophobicContact CG-CG2 4.33Å; A166-V168 HydrophobicContact CB-CG2 4.09Å; V168-F197 HydrophobicContact CB-CZ 4.49Å; V168-F197 HydrophobicContact CG1-CE2 4.44Å; V168-F197 HydrophobicContact CG1-CZ 4.14Å; V168-F197 WeakPolarHBondContact O-CE1 3.15Å; V168-F197 VanDerWaalsContact O-CZ 3.23Å; V168-F197 WeakPolarHBondContact O-CZ 3.39Å; V168-L201 HydrophobicContact CB-CD2 4.42Å; V168-V209 HydrophobicContact CG2-CG1 4Å; V168-K210 PolarHBondContact N-O 3.07Å; V168-P211 WeakPolarHBondContact O-CA 3.28Å; V168-V212 VanDerWaalsContact C-CG1 3.46Å; V168-V212 WeakPolarHBondContact O-CG1 3.5Å; V168-V212 PolarHBondContact O-N 3.03Å
169G98.6Very high94.4Very high0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-118.7111.9-175.600000113Y143 A145 V171 V212 T214Y143-G169 PolarHBondContact O-N 3.01Å; A145-G169 VanDerWaalsContact CB-O 3.3Å; A145-G169 WeakPolarHBondContact CB-O 3.3Å; A145-G169 PolarHBondContact N-O 3.2Å; G169-V171 PolarHBondContact O-N 3.21Å; G169-V212 WeakPolarHBondContact CA-O 3.38Å; G169-T214 WeakPolarHBondContact CA-OG1 3.38Å
170K98.5Very high93.5Very high1 Ų132.6 Ų32.60%0.00417%0.17CC..  trans-66.9122.1162.6178.9-99178-176.80108.3I147 E184 T193 F197 T214I147-K170 WeakPolarHBondContact O-CE 3.37Å; K170-E184 WeakPolarHBondContact CE-OE1 3.4Å; K170-E184 IonicContact NZ-OE1 2.8Å; K170-E184 PolarHBondContact NZ-OE1 3.39Å; K170-E184 IonicContact NZ-OE2 3.97Å; K170-E184 PolarHBondContact NZ-OE2 2.99Å; K170-T193 WeakPolarHBondContact CD-OG1 3.38Å; K170-T193 PolarHBondContact NZ-OG1 3.03Å; K170-F197 HydrophobicContact CB-CB 4.24Å; K170-F197 HydrophobicContact CB-CD1 3.64Å; K170-F197 HydrophobicContact CB-CD2 3.87Å; K170-F197 HydrophobicContact CB-CE1 3.91Å; K170-F197 HydrophobicContact CB-CE2 4.14Å; K170-F197 HydrophobicContact CB-CG 3.62Å; K170-F197 HydrophobicContact CB-CZ 4.16Å; K170-F197 HydrophobicContact CG-CG 4.45Å; K170-T214 WeakPolarHBondContact O-CB 3.35Å
171V98.3Very high92.9Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-71.3139.3-176.2177.40000109.6F144 A145 T146 I147 G169 M173 T214 R216F144-V171 HydrophobicContact CB-CG2 4.42Å; F144-V171 HydrophobicContact CD1-CG2 3.95Å; A145-V171 WeakPolarHBondContact O-CG2 3.2Å; T146-V171 PolarHBondContact O-N 3.01Å; I147-V171 WeakPolarHBondContact CA-O 3.41Å; I147-V171 HydrophobicContact CG2-CB 4.41Å; I147-V171 HydrophobicContact CG2-CG1 4.41Å; G169-V171 PolarHBondContact O-N 3.21Å; V171-M173 HydrophobicContact CG1-CE 3.76Å; V171-T214 CarbonylContact C-O 3.59Å; V171-T214 WeakPolarHBondContact CA-O 3.27Å; V171-T214 HydrophobicContact CG2-CG2 4.16Å; V171-R216 HydrophobicContact CG1-CB 3.68Å; V171-R216 HydrophobicContact CG1-CG 4.22Å
172C97.9Very high92.5Very high0 Ų032.6 Ų32.60%017%0.165CC..EExtended strand (participates in β ladder)trans-112128.9174-56.60000109.3S189 T193 T214 R216 C221 L225 L229C172-S189 WeakPolarHBondContact CB-OG 3.41Å; C172-T193 PolarHBondContact SG-OG1 3.46Å; C172-T214 PolarHBondContact N-O 3.42Å; C172-R216 PolarHBondContact O-N 2.96Å; C172-R216 VanDerWaalsContact O-N 3.17Å; C172-C221 PolarHBondContact O-SG 3.31Å; C172-L225 HydrophobicContact CB-CD2 4.42Å; C172-L229 HydrophobicContact CB-CD1 3.74Å; C172-L229 HydrophobicContact CB-CD2 4.48Å
173M95.6Very high92.2Very high1 Ų133.9 Ų33.91%0.00517%0.171CC..  trans-155124.1172.653.1173.477.300110.7F110 I147 V171 Y182 E184 R216 S220F110-M173 HydrophobicContact CE1-CE 4.3Å; I147-M173 HydrophobicContact CG2-CE 4.09Å; I147-M173 HydrophobicContact CG2-CG 3.5Å; I147-M173 HydrophobicContact CG2-SD 3.93Å; V171-M173 HydrophobicContact CG1-CE 3.76Å; M173-Y182 HydrophobicContact CE-CD1 4.27Å; M173-Y182 HydrophobicContact CE-CE1 3.69Å; M173-Y182 HydrophobicContact SD-CD1 3.82Å; M173-Y182 HydrophobicContact SD-CE1 3.79Å; M173-E184 PolarHBondContact O-N 2.9Å; M173-R216 HydrophobicContact CE-CB 4.4Å; M173-R216 VanDerWaalsContact CE-CD 3.48Å; M173-S220 CarbonylContact C-O 3.35Å; M173-S220 WeakPolarHBondContact CA-O 3.44Å
174D94.8Very high92Very high17 Ų1733.6 Ų33.69%0.09116%0.164CC..SBendtrans-114.9-2.9174.264.7-7.1000113E184 S186 S220 C221 T222 L225D174-E184 VanDerWaalsContact CA-O 3.3Å; D174-E184 WeakPolarHBondContact CA-O 3.28Å; D174-S186 WeakPolarHBondContact OD2-CB 3.41Å; D174-S186 PolarHBondContact OD2-OG 3.21Å; D174-S220 PolarHBondContact N-O 3.28Å; D174-C221 VanDerWaalsContact OD1-CA 3.25Å; D174-C221 WeakPolarHBondContact OD1-CA 3.43Å; D174-T222 PolarHBondContact OD1-N 2.81Å; D174-T222 WeakPolarHBondContact OD2-CB 3.47Å; D174-T222 WeakPolarHBondContact OD2-CG2 3.24Å; D174-T222 PolarHBondContact OD2-OG1 2.64Å; D174-L225 HydrophobicContact CB-CD2 3.9Å; D174-L225 VanDerWaalsContact CG-CD2 3.46Å; D174-L225 WeakPolarHBondContact OD2-CB 3.23Å
175R92.3Very high91.7Very high61 Ų6136 Ų3623%0.2318%0.181CC..  trans-119118.3170.1-165.7179.9-58.4155.3-6.8110.2P219 S220 L257R175-P219 WeakPolarHBondContact CD-O 3.49Å; R175-S220 PolarHBondContact N-O 3.21Å; R175-S220 WeakPolarHBondContact O-CA 3.39Å; R175-L257 VanDerWaalsContact NH1-CD1 3.35Å
176N85.9Confident91.3Very high11 Ų1137 Ų376%0.05919%0.189CC..  trans-158.2102168.6-169.1-13.5000108.2S178 V179 Y182 K183N176-S178 PolarHBondContact OD1-N 2.7Å; N176-V179 PolarHBondContact OD1-N 3Å; N176-Y182 PolarHBondContact ND2-O 3.33Å; N176-K183 HydrophobicContact CB-CB 3.95Å; N176-K183 HydrophobicContact CB-CD 4.22Å
177D79Confident90.9Very high118 Ų11843.4 Ų43.463%0.63122%0.219SC*.SBendtrans-87.3-25.6-178.6-67-32.6000112.2
178S76.2Confident90.5Very high73 Ų7347.9 Ų47.951%0.5124%0.24SC..SBendtrans-72-45.4-179.8-51.20000112.7N106 N176N106-S178 PolarHBondContact ND2-OG 2.67Å; N106-S178 WeakPolarHBondContact OD1-CB 3.37Å; N106-S178 PolarHBondContact OD1-OG 3.49Å; N176-S178 PolarHBondContact OD1-N 2.7Å
179V77.8Confident90.2Very high14 Ų1447.9 Ų47.99%0.08524%0.24CC..SBendtrans-125.781.3-177.5-172.20000109.4F110 N176 H181 Y182F110-V179 HydrophobicContact CB-CB 3.99Å; F110-V179 HydrophobicContact CB-CG1 4.2Å; F110-V179 HydrophobicContact CB-CG2 3.78Å; F110-V179 HydrophobicContact CD2-CB 4.29Å; F110-V179 HydrophobicContact CD2-CG2 3.86Å; F110-V179 HydrophobicContact CG-CB 4.48Å; F110-V179 HydrophobicContact CG-CG2 4.28Å; N176-V179 PolarHBondContact OD1-N 3Å; V179-H181 WeakPolarHBondContact CG1-CE1 3.29Å; V179-H181 PolarHBondContact O-N 3.09Å; V179-Y182 PolarHBondContact O-N 3.21Å
180K80.6Confident89.7Confident161 Ų16150.8 Ų50.870%0.725%0.253SS*.THydrogen-bonded Turntrans-56.9-24.9-170.5-65.4-175.5179.4-179.10115.6
181H85.4Confident89.3Confident143 Ų14354.4 Ų54.466%0.66227%0.27SS*.THydrogen-bonded Turntrans-88.3-5.1179.863.8-91.8000113.4V179V179-H181 WeakPolarHBondContact CG1-CE1 3.29Å; V179-H181 PolarHBondContact O-N 3.09Å
182Y91.3Very high89Confident1 Ų156.5 Ų56.50%0.00428%0.28CS..SBendtrans-116.469.3178-168.8-111.7000109.9F110 E113 T146 I147 H148 M173 N176 V179F110-Y182 HydrophobicContact CB-CD1 3.88Å; F110-Y182 AromaticContact CD1-CD1 3.6Å; F110-Y182 HydrophobicContact CD1-CD1 3.6Å; F110-Y182 AromaticContact CD1-CE1 3.78Å; F110-Y182 HydrophobicContact CD1-CE1 3.78Å; F110-Y182 HydrophobicContact CE1-CD1 4.48Å; F110-Y182 HydrophobicContact CG-CD1 4.04Å; E113-Y182 HydrophobicContact CB-CE1 3.84Å; E113-Y182 HydrophobicContact CB-CE2 3.98Å; E113-Y182 VanDerWaalsContact CB-CZ 3.42Å; E113-Y182 VanDerWaalsContact CB-OH 3.24Å; E113-Y182 WeakPolarHBondContact CB-OH 3.02Å; E113-Y182 VanDerWaalsContact OE2-CE1 3.27Å; E113-Y182 WeakPolarHBondContact OE2-CE1 3.27Å; E113-Y182 VanDerWaalsContact OE2-CZ 3.27Å; E113-Y182 PolarHBondContact OE2-OH 2.99Å; T146-Y182 WeakPolarHBondContact CB-OH 3.32Å; I147-Y182 HydrophobicContact CD1-CD2 3.67Å; I147-Y182 HydrophobicContact CD1-CE2 3.66Å; I147-Y182 HydrophobicContact CD1-CG 4.38Å; I147-Y182 HydrophobicContact CG1-CD2 4.16Å; I147-Y182 HydrophobicContact CG1-CE2 3.61Å; I147-Y182 HydrophobicContact CG2-CE2 4.35Å; I147-Y182 PolarHBondContact N-OH 3.46Å; H148-Y182 AromaticContact CE1-CE2 3.88Å; M173-Y182 HydrophobicContact CE-CD1 4.27Å; M173-Y182 HydrophobicContact CE-CE1 3.69Å; M173-Y182 HydrophobicContact SD-CD1 3.82Å; M173-Y182 HydrophobicContact SD-CE1 3.79Å; N176-Y182 PolarHBondContact ND2-O 3.33Å; V179-Y182 PolarHBondContact O-N 3.21Å
183K92.4Very high88.4Confident76 Ų7656.6 Ų56.633%0.3328%0.281SS..  trans-161.7164.8170.662.6178.6-179.4-176.40109.4N176N176-K183 HydrophobicContact CB-CB 3.95Å; N176-K183 HydrophobicContact CB-CD 4.22Å
184E93.4Very high87.6Confident13 Ų1359 Ų596%0.06130%0.297CS..  trans-108.8166.1175.8-57.6176.4104.700110.2I147 K170 M173 D174 E188 S189I147-E184 HydrophobicContact CB-CG 4.16Å; I147-E184 HydrophobicContact CD1-CG 4.25Å; K170-E184 WeakPolarHBondContact CE-OE1 3.4Å; K170-E184 IonicContact NZ-OE1 2.8Å; K170-E184 PolarHBondContact NZ-OE1 3.39Å; K170-E184 IonicContact NZ-OE2 3.97Å; K170-E184 PolarHBondContact NZ-OE2 2.99Å; M173-E184 PolarHBondContact O-N 2.9Å; D174-E184 VanDerWaalsContact CA-O 3.3Å; D174-E184 WeakPolarHBondContact CA-O 3.28Å; E184-E188 WeakPolarHBondContact CA-OE2 3.42Å; E184-E188 HydrophobicContact CB-CB 4.35Å; E184-E188 HydrophobicContact CB-CG 4.27Å; E184-S189 VanDerWaalsContact OE2-CB 3.24Å; E184-S189 WeakPolarHBondContact OE2-CB 3.34Å; E184-S189 PolarHBondContact OE2-OG 3.09Å
185S93.4Very high86.9Confident52 Ų5266.2 Ų66.236%0.36432%0.323SS..  trans-73.4158.9157.9100.90000110.3E187 E188 S189S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 PolarHBondContact O-N 3.18Å; S185-E187 PolarHBondContact OG-N 3.37Å; S185-E187 PolarHBondContact OG-OE2 3.34Å; S185-E188 PolarHBondContact N-OE2 3.41Å; S185-E188 PolarHBondContact O-N 3.34Å; S185-E188 PolarHBondContact OG-N 2.7Å; S185-S189 WeakPolarHBondContact O-CB 3.48Å; S185-S189 PolarHBondContact O-N 3.38Å
186S89.3Confident86.9Confident29 Ų2966.8 Ų66.820%0.20333%0.325CS..Hα-helixtrans-60.4-38.2176.1-49.10000111.6D174 Q190D174-S186 WeakPolarHBondContact OD2-CB 3.41Å; D174-S186 PolarHBondContact OD2-OG 3.21Å; S186-Q190 WeakPolarHBondContact O-CB 3.32Å; S186-Q190 WeakPolarHBondContact O-CG 3.19Å; S186-Q190 PolarHBondContact O-N 2.93Å; S186-Q190 VanDerWaalsContact O-N 3.16Å; S186-Q190 PolarHBondContact O-NE2 3.39Å
187E90Very high87.5Confident136 Ų13666.3 Ų66.364%0.63632%0.323SS*.Hα-helixtrans-67.9-44.2175.5-58.977.5-167.400112.1S185 Q190 E191S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 PolarHBondContact O-N 3.18Å; S185-E187 PolarHBondContact OG-N 3.37Å; S185-E187 PolarHBondContact OG-OE2 3.34Å; E187-Q190 PolarHBondContact O-N 3.33Å; E187-E191 WeakPolarHBondContact O-CB 3.47Å; E187-E191 PolarHBondContact O-N 3.26Å
188E91.7Very high88.3Confident98 Ų9860.9 Ų60.946%0.45829%0.294SS..Hα-helixtrans-61.1-49.3177.1178.8179.8-150.500110.9E184 S185 Q190 E191 E192E184-E188 WeakPolarHBondContact CA-OE2 3.42Å; E184-E188 HydrophobicContact CB-CB 4.35Å; E184-E188 HydrophobicContact CB-CG 4.27Å; S185-E188 PolarHBondContact N-OE2 3.41Å; S185-E188 PolarHBondContact O-N 3.34Å; S185-E188 PolarHBondContact OG-N 2.7Å; E188-Q190 VanDerWaalsContact C-N 3.29Å; E188-Q190 PolarHBondContact O-N 3.07Å; E188-E191 PolarHBondContact O-N 2.83Å; E188-E191 VanDerWaalsContact O-N 3.15Å; E188-E192 HydrophobicContact CG-CG 4.22Å; E188-E192 VanDerWaalsContact O-CB 3.32Å; E188-E192 WeakPolarHBondContact O-CB 3.3Å; E188-E192 PolarHBondContact O-N 2.8Å
189S91.7Very high89.2Confident0 Ų063.3 Ų63.30%030%0.295CS..Hα-helixtrans-60.1-40.4179.4-161.70000111.8C172 E184 S185 T193C172-S189 WeakPolarHBondContact CB-OG 3.41Å; E184-S189 VanDerWaalsContact OE2-CB 3.24Å; E184-S189 WeakPolarHBondContact OE2-CB 3.34Å; E184-S189 PolarHBondContact OE2-OG 3.09Å; S185-S189 WeakPolarHBondContact O-CB 3.48Å; S185-S189 PolarHBondContact O-N 3.38Å; S189-T193 WeakPolarHBondContact O-CB 3.48Å; S189-T193 PolarHBondContact O-N 2.97Å; S189-T193 PolarHBondContact O-OG1 2.62Å
190Q88.8Confident90.1Very high61 Ų6166.1 Ų66.129%0.28531%0.307SS..Hα-helixtrans-65-46.2174.5-73.6170.842.600112.4S186 E187 E188 C194 L225 K228S186-Q190 WeakPolarHBondContact O-CB 3.32Å; S186-Q190 WeakPolarHBondContact O-CG 3.19Å; S186-Q190 PolarHBondContact O-N 2.93Å; S186-Q190 VanDerWaalsContact O-N 3.16Å; S186-Q190 PolarHBondContact O-NE2 3.39Å; E187-Q190 PolarHBondContact O-N 3.33Å; E188-Q190 VanDerWaalsContact C-N 3.29Å; E188-Q190 PolarHBondContact O-N 3.07Å; Q190-C194 WeakPolarHBondContact O-CB 3.42Å; Q190-C194 PolarHBondContact O-N 3.32Å; Q190-L225 HydrophobicContact CG-CD1 3.9Å; Q190-K228 HydrophobicContact CG-CB 4.01Å
191E88.8Confident90.9Very high77 Ų7758.7 Ų58.736%0.3628%0.275SS..Iπ-helixtrans-65.1-52.7-178.7-17663.6-171.700111.6E187 E188 T193 R195 R196E187-E191 WeakPolarHBondContact O-CB 3.47Å; E187-E191 PolarHBondContact O-N 3.26Å; E188-E191 PolarHBondContact O-N 2.83Å; E188-E191 VanDerWaalsContact O-N 3.15Å; E191-T193 VanDerWaalsContact C-N 3.34Å; E191-T193 PolarHBondContact O-N 3.28Å; E191-R195 VanDerWaalsContact CD-NH1 3.29Å; E191-R195 WeakPolarHBondContact O-CB 3.45Å; E191-R195 PolarHBondContact O-N 2.87Å; E191-R195 VanDerWaalsContact OE1-CD 3.24Å; E191-R195 WeakPolarHBondContact OE1-CD 3.01Å; E191-R195 IonicContact OE1-NH1 3.09Å; E191-R195 PolarHBondContact OE1-NH1 3.4Å; E191-R195 WeakPolarHBondContact OE2-CD 3.07Å; E191-R195 VanDerWaalsContact OE2-CG 3.31Å; E191-R195 WeakPolarHBondContact OE2-CG 3.19Å; E191-R195 IonicContact OE2-CZ 2.72Å; E191-R195 IonicContact OE2-NE 3Å; E191-R195 PolarHBondContact OE2-NE 3.26Å; E191-R195 IonicContact OE2-NH1 3.07Å; E191-R195 PolarHBondContact OE2-NH1 2.84Å; E191-R196 PolarHBondContact O-N 3.31Å
192E92.1Very high91.4Very high44 Ų4455.8 Ų55.821%0.20626%0.264CS..Iπ-helixtrans-63.6-38.7-178.5-77.3-65.1117.100111.6T149 E188 R196 F197T149-E192 WeakPolarHBondContact CB-OE2 3.34Å; T149-E192 PolarHBondContact OG1-OE2 3.4Å; E188-E192 HydrophobicContact CG-CG 4.22Å; E188-E192 VanDerWaalsContact O-CB 3.32Å; E188-E192 WeakPolarHBondContact O-CB 3.3Å; E188-E192 PolarHBondContact O-N 2.8Å; E192-R196 WeakPolarHBondContact O-CB 3.42Å; E192-R196 WeakPolarHBondContact OE1-CD 3.5Å; E192-R196 IonicContact OE1-NH1 3.13Å; E192-R196 PolarHBondContact OE1-NH1 3.43Å; E192-R196 WeakPolarHBondContact OE2-CD 3.12Å; E192-R196 IonicContact OE2-CZ 3.9Å; E192-R196 IonicContact OE2-NE 2.92Å; E192-R196 IonicContact OE2-NH1 2.76Å; E192-R196 PolarHBondContact OE2-NH1 2.89Å; E192-F197 WeakPolarHBondContact O-CB 3.29Å; E192-F197 PolarHBondContact O-N 3.25Å
193T86.8Confident91.7Very high2 Ų260.9 Ų60.91%0.01229%0.292CS..Iπ-helixtrans-74.8-51.5178.2-58.20000111.9K170 C172 S189 E191 V198 L229 M232K170-T193 WeakPolarHBondContact CD-OG1 3.38Å; K170-T193 PolarHBondContact NZ-OG1 3.03Å; C172-T193 PolarHBondContact SG-OG1 3.46Å; S189-T193 WeakPolarHBondContact O-CB 3.48Å; S189-T193 PolarHBondContact O-N 2.97Å; S189-T193 PolarHBondContact O-OG1 2.62Å; E191-T193 VanDerWaalsContact C-N 3.34Å; E191-T193 PolarHBondContact O-N 3.28Å; T193-V198 WeakPolarHBondContact O-CB 3.35Å; T193-V198 WeakPolarHBondContact O-CG2 3.47Å; T193-V198 PolarHBondContact O-N 2.94Å; T193-L229 HydrophobicContact CG2-CD2 4.26Å; T193-M232 HydrophobicContact CG2-CE 3.71Å; T193-M232 HydrophobicContact CG2-SD 3.99Å
194C77.3Confident91.9Very high53 Ų5362.5 Ų62.536%0.35830%0.298SS..Iπ-helixtrans-80.5-53.4-170.6-174.70000112.6Q190 M232Q190-C194 WeakPolarHBondContact O-CB 3.42Å; Q190-C194 PolarHBondContact O-N 3.32Å; C194-M232 VanDerWaalsContact CA-SD 3.59Å; C194-M232 HydrophobicContact CB-CG 4.26Å; C194-M232 HydrophobicContact CB-SD 3.55Å; C194-M232 VanDerWaalsContact CB-SD 3.55Å
195R80.5Confident92Very high168 Ų16870.4 Ų70.463%0.63433%0.333SS*.Iπ-helixtrans-82.9-25.8-171.5-59.4-147.2-170.9124.3-3.2112.5E191 K199E191-R195 VanDerWaalsContact CD-NH1 3.29Å; E191-R195 WeakPolarHBondContact O-CB 3.45Å; E191-R195 PolarHBondContact O-N 2.87Å; E191-R195 VanDerWaalsContact OE1-CD 3.24Å; E191-R195 WeakPolarHBondContact OE1-CD 3.01Å; E191-R195 IonicContact OE1-NH1 3.09Å; E191-R195 PolarHBondContact OE1-NH1 3.4Å; E191-R195 WeakPolarHBondContact OE2-CD 3.07Å; E191-R195 VanDerWaalsContact OE2-CG 3.31Å; E191-R195 WeakPolarHBondContact OE2-CG 3.19Å; E191-R195 IonicContact OE2-CZ 2.72Å; E191-R195 IonicContact OE2-NE 3Å; E191-R195 PolarHBondContact OE2-NE 3.26Å; E191-R195 IonicContact OE2-NH1 3.07Å; E191-R195 PolarHBondContact OE2-NH1 2.84Å; R195-K199 WeakPolarHBondContact O-CB 3.45Å; R195-K199 WeakPolarHBondContact O-CD 3.45Å
196R93.6Very high92.2Very high72 Ų7270.1 Ų70.127%0.27232%0.324SS..Iπ-helixtrans-105.6-76.5-178.5-159.2-175.8169.9-179.20.2112.3T149 D150 E191 E192 V198 K199 E200T149-R196 HydrophobicContact CG2-CB 4.23Å; T149-R196 HydrophobicContact CG2-CG 3.84Å; D150-R196 IonicContact OD1-CZ 2.86Å; D150-R196 IonicContact OD1-NE 3.4Å; D150-R196 IonicContact OD1-NH2 3.61Å; D150-R196 PolarHBondContact OD1-NH2 2.93Å; D150-R196 IonicContact OD2-CZ 3.3Å; D150-R196 IonicContact OD2-NH2 2.96Å; D150-R196 PolarHBondContact OD2-NH2 3.21Å; E191-R196 PolarHBondContact O-N 3.31Å; E192-R196 WeakPolarHBondContact O-CB 3.42Å; E192-R196 WeakPolarHBondContact OE1-CD 3.5Å; E192-R196 IonicContact OE1-NH1 3.13Å; E192-R196 PolarHBondContact OE1-NH1 3.43Å; E192-R196 WeakPolarHBondContact OE2-CD 3.12Å; E192-R196 IonicContact OE2-CZ 3.9Å; E192-R196 IonicContact OE2-NE 2.92Å; E192-R196 IonicContact OE2-NH1 2.76Å; E192-R196 PolarHBondContact OE2-NH1 2.89Å; R196-V198 PolarHBondContact O-N 2.97Å; R196-K199 PolarHBondContact O-N 3.5Å; R196-E200 WeakPolarHBondContact CG-OE1 2.92Å; R196-E200 IonicContact NE-OE1 3.79Å; R196-E200 VanDerWaalsContact O-CB 3.25Å; R196-E200 WeakPolarHBondContact O-CB 3.42Å; R196-E200 VanDerWaalsContact O-CG 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.27Å; R196-E200 PolarHBondContact O-N 3.09Å
197F97.8Very high92.5Very high1 Ų173.1 Ų73.10%0.00434%0.343CS..Iπ-helixtrans-53.9-59.2-170.8175.4-109.7000113.8T149 L153 V168 K170 E192 K199 L201 P211T149-F197 HydrophobicContact CG2-CB 3.86Å; L153-F197 HydrophobicContact CD2-CD2 3.92Å; L153-F197 HydrophobicContact CD2-CE2 4.25Å; L153-F197 HydrophobicContact CG-CD2 4.08Å; V168-F197 HydrophobicContact CB-CZ 4.49Å; V168-F197 HydrophobicContact CG1-CE2 4.44Å; V168-F197 HydrophobicContact CG1-CZ 4.14Å; V168-F197 WeakPolarHBondContact O-CE1 3.15Å; V168-F197 VanDerWaalsContact O-CZ 3.23Å; V168-F197 WeakPolarHBondContact O-CZ 3.39Å; K170-F197 HydrophobicContact CB-CB 4.24Å; K170-F197 HydrophobicContact CB-CD1 3.64Å; K170-F197 HydrophobicContact CB-CD2 3.87Å; K170-F197 HydrophobicContact CB-CE1 3.91Å; K170-F197 HydrophobicContact CB-CE2 4.14Å; K170-F197 HydrophobicContact CB-CG 3.62Å; K170-F197 HydrophobicContact CB-CZ 4.16Å; K170-F197 HydrophobicContact CG-CG 4.45Å; E192-F197 WeakPolarHBondContact O-CB 3.29Å; E192-F197 PolarHBondContact O-N 3.25Å; F197-K199 PolarHBondContact O-N 3.12Å; F197-L201 HydrophobicContact CE2-CD2 4.1Å; F197-L201 HydrophobicContact CZ-CD2 3.81Å; F197-L201 VanDerWaalsContact O-CB 3.3Å; F197-L201 WeakPolarHBondContact O-CB 3.36Å; F197-L201 PolarHBondContact O-N 3.43Å; F197-P211 HydrophobicContact CE1-CB 3.88Å; F197-P211 HydrophobicContact CZ-CB 4.44Å
198V95.9Very high92.9Very high4 Ų468 Ų682%0.02432%0.32CS..Iπ-helixtrans-60.4-48.7-177.2167.70000110.6T193 R196 L202 P211 M232 L238T193-V198 WeakPolarHBondContact O-CB 3.35Å; T193-V198 WeakPolarHBondContact O-CG2 3.47Å; T193-V198 PolarHBondContact O-N 2.94Å; R196-V198 PolarHBondContact O-N 2.97Å; V198-L202 HydrophobicContact CG1-CD1 3.83Å; V198-L202 WeakPolarHBondContact O-CB 3.43Å; V198-L202 VanDerWaalsContact O-CG 3.23Å; V198-L202 WeakPolarHBondContact O-CG 3.3Å; V198-L202 PolarHBondContact O-N 2.88Å; V198-P211 HydrophobicContact CG1-CG 4.29Å; V198-P211 HydrophobicContact CG2-CB 4.18Å; V198-M232 HydrophobicContact CG2-SD 4.29Å; V198-L238 HydrophobicContact CG1-CD1 3.74Å; V198-L238 HydrophobicContact CG2-CD1 3.95Å
199K95.2Very high93.3Very high125 Ų12563.6 Ų63.654%0.54330%0.3SS..Hα-helixtrans-63.7-47.7-177.3-174.3-179178.8-176.10111.7R195 R196 F197 N203R195-K199 WeakPolarHBondContact O-CB 3.45Å; R195-K199 WeakPolarHBondContact O-CD 3.45Å; R196-K199 PolarHBondContact O-N 3.5Å; F197-K199 PolarHBondContact O-N 3.12Å; K199-N203 WeakPolarHBondContact O-CB 3.32Å; K199-N203 PolarHBondContact O-N 2.95Å; K199-N203 PolarHBondContact O-ND2 2.79Å
200E96.8Very high93.6Very high73 Ų7367.3 Ų67.334%0.34132%0.316SS..Hα-helixtrans-65.1-45-179.9-73.5-171.5-154.200111.8L153 R196 L202 N203 K204L153-E200 HydrophobicContact CD1-CB 4.14Å; L153-E200 WeakPolarHBondContact CD1-OE2 3.43Å; L153-E200 HydrophobicContact CD2-CB 3.99Å; R196-E200 WeakPolarHBondContact CG-OE1 2.92Å; R196-E200 IonicContact NE-OE1 3.79Å; R196-E200 VanDerWaalsContact O-CB 3.25Å; R196-E200 WeakPolarHBondContact O-CB 3.42Å; R196-E200 VanDerWaalsContact O-CG 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.27Å; R196-E200 PolarHBondContact O-N 3.09Å; E200-L202 PolarHBondContact O-N 3.32Å; E200-N203 WeakPolarHBondContact O-CB 3.38Å; E200-N203 PolarHBondContact O-N 3.33Å; E200-N203 VanDerWaalsContact O-N 3.14Å; E200-K204 WeakPolarHBondContact O-CG 3.47Å; E200-K204 PolarHBondContact O-N 2.94Å; E200-K204 VanDerWaalsContact O-N 3.09Å
201L96.8Very high94Very high4 Ų464.5 Ų64.52%0.02130%0.303CS..Hα-helixtrans-64.5-40.8179.8-167.463.4000111.7L153 V168 F197 N203 K204 Y206 V209 P211L153-L201 HydrophobicContact CD2-CB 3.89Å; L153-L201 HydrophobicContact CD2-CD1 4.25Å; V168-L201 HydrophobicContact CB-CD2 4.42Å; F197-L201 HydrophobicContact CE2-CD2 4.1Å; F197-L201 HydrophobicContact CZ-CD2 3.81Å; F197-L201 VanDerWaalsContact O-CB 3.3Å; F197-L201 WeakPolarHBondContact O-CB 3.36Å; F197-L201 PolarHBondContact O-N 3.43Å; L201-N203 VanDerWaalsContact C-N 3.33Å; L201-N203 PolarHBondContact O-N 2.87Å; L201-K204 WeakPolarHBondContact O-CB 3.37Å; L201-K204 PolarHBondContact O-N 3.39Å; L201-Y206 HydrophobicContact CD1-CD2 4.03Å; L201-Y206 HydrophobicContact CD1-CE2 3.99Å; L201-V209 HydrophobicContact CD1-CG1 4.46Å; L201-P211 HydrophobicContact CD2-CB 3.94Å; L201-P211 HydrophobicContact CD2-CG 4.43Å
202L95.9Very high94.5Very high83 Ų8361 Ų6144%0.43529%0.286SS..Hα-helixtrans-63.7-38.3173.1-70.6173.1000112V198 E200 K204 K205 P211V198-L202 HydrophobicContact CG1-CD1 3.83Å; V198-L202 WeakPolarHBondContact O-CB 3.43Å; V198-L202 VanDerWaalsContact O-CG 3.23Å; V198-L202 WeakPolarHBondContact O-CG 3.3Å; V198-L202 PolarHBondContact O-N 2.88Å; E200-L202 PolarHBondContact O-N 3.32Å; L202-K204 PolarHBondContact O-N 3.16Å; L202-K205 PolarHBondContact O-N 2.86Å; L202-K205 VanDerWaalsContact O-N 3.09Å; L202-P211 HydrophobicContact CD2-CG 3.97Å; L202-P211 HydrophobicContact CG-CG 3.94Å
203N96.4Very high94.8Very high108 Ų10858.9 Ų58.958%0.57828%0.276SS*.Hα-helixtrans-67.1-22.8177.9-75-22.1000113.5K199 E200 L201 K205K199-N203 WeakPolarHBondContact O-CB 3.32Å; K199-N203 PolarHBondContact O-N 2.95Å; K199-N203 PolarHBondContact O-ND2 2.79Å; E200-N203 WeakPolarHBondContact O-CB 3.38Å; E200-N203 PolarHBondContact O-N 3.33Å; E200-N203 VanDerWaalsContact O-N 3.14Å; L201-N203 VanDerWaalsContact C-N 3.33Å; L201-N203 PolarHBondContact O-N 2.87Å; N203-K205 PolarHBondContact O-N 2.92Å
204K96.8Very high95.4Very high109 Ų10958.8 Ų58.847%0.47428%0.276SS..THydrogen-bonded Turntrans-65.3-21.7171.8-62.9-64.3-178.91740112.9E200 L201 L202 Y206E200-K204 WeakPolarHBondContact O-CG 3.47Å; E200-K204 PolarHBondContact O-N 2.94Å; E200-K204 VanDerWaalsContact O-N 3.09Å; L201-K204 WeakPolarHBondContact O-CB 3.37Å; L201-K204 PolarHBondContact O-N 3.39Å; L202-K204 PolarHBondContact O-N 3.16Å; K204-Y206 HydrophobicContact CB-CD1 4.07Å; K204-Y206 HydrophobicContact CB-CD2 3.78Å; K204-Y206 HydrophobicContact CB-CE1 3.84Å; K204-Y206 HydrophobicContact CB-CE2 3.54Å; K204-Y206 HydrophobicContact CB-CG 4.04Å; K204-Y206 HydrophobicContact CG-CD2 4.44Å; K204-Y206 HydrophobicContact CG-CE1 4.48Å; K204-Y206 HydrophobicContact CG-CE2 3.77Å; K204-Y206 PolarHBondContact O-N 2.87Å
205K96Very high96.4Very high180 Ų18056.2 Ų56.278%0.78326%0.259SS*.THydrogen-bonded Turntrans54.535.7-179.9-58.9177.8-178178.70113.4L202 N203L202-K205 PolarHBondContact O-N 2.86Å; L202-K205 VanDerWaalsContact O-N 3.09Å; N203-K205 PolarHBondContact O-N 2.92Å
206Y97.9Very high97.2Very high45 Ų4548.6 Ų48.618%0.17623%0.23CC..  trans-62132.3173.4-61.6-39.9000110.1N160 L201 K204 L208 V209N160-Y206 HydrophobicContact CB-CD1 3.75Å; N160-Y206 HydrophobicContact CB-CD2 4.09Å; N160-Y206 HydrophobicContact CB-CE1 3.98Å; N160-Y206 HydrophobicContact CB-CE2 4.29Å; N160-Y206 HydrophobicContact CB-CG 3.82Å; N160-Y206 WeakPolarHBondContact OD1-CD1 3.33Å; L201-Y206 HydrophobicContact CD1-CD2 4.03Å; L201-Y206 HydrophobicContact CD1-CE2 3.99Å; K204-Y206 HydrophobicContact CB-CD1 4.07Å; K204-Y206 HydrophobicContact CB-CD2 3.78Å; K204-Y206 HydrophobicContact CB-CE1 3.84Å; K204-Y206 HydrophobicContact CB-CE2 3.54Å; K204-Y206 HydrophobicContact CB-CG 4.04Å; K204-Y206 HydrophobicContact CG-CD2 4.44Å; K204-Y206 HydrophobicContact CG-CE1 4.48Å; K204-Y206 HydrophobicContact CG-CE2 3.77Å; K204-Y206 PolarHBondContact O-N 2.87Å; Y206-L208 VanDerWaalsContact C-N 3.31Å; Y206-L208 PolarHBondContact O-N 2.94Å; Y206-V209 HydrophobicContact CD2-CB 4.1Å; Y206-V209 HydrophobicContact CD2-CG1 4.4Å; Y206-V209 HydrophobicContact CG-CB 4.41Å
207P96.6Very high97.4Very high92 Ų9245.8 Ų45.860%0.59722%0.22SC*.SBendtrans-70.4-28.8-173.725.2-33000113.2
208L98.3Very high97.3Very high29 Ų2945.8 Ų45.815%0.15222%0.22CC..SBendtrans-120.9-6.5-169.9-56.1177000114R165 A166 Y206 V441 A442R165-L208 HydrophobicContact CB-CB 4.34Å; R165-L208 HydrophobicContact CG-CB 4.41Å; A166-L208 PolarHBondContact N-O 3.01Å; Y206-L208 VanDerWaalsContact C-N 3.31Å; Y206-L208 PolarHBondContact O-N 2.94Å; L208-V441 HydrophobicContact CD1-CG1 3.82Å; L208-A442 HydrophobicContact CD1-CB 4.2Å; L208-A442 HydrophobicContact CD2-CB 4.05Å
209V98.8Very high97.3Very high6 Ų645.6 Ų45.64%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-111128.9-178-177.80000109.7A159 N160 A166 V168 L201 Y206A159-V209 HydrophobicContact CB-CG2 4.03Å; N160-V209 HydrophobicContact CB-CG2 4.01Å; A166-V209 HydrophobicContact CB-CG2 4.37Å; A166-V209 CarbonylContact O-C 3.52Å; A166-V209 VanDerWaalsContact O-CA 3.29Å; A166-V209 WeakPolarHBondContact O-CA 3.43Å; V168-V209 HydrophobicContact CG2-CG1 4Å; L201-V209 HydrophobicContact CD1-CG1 4.46Å; Y206-V209 HydrophobicContact CD2-CB 4.1Å; Y206-V209 HydrophobicContact CD2-CG1 4.4Å; Y206-V209 HydrophobicContact CG-CB 4.41Å
210K98.4Very high97.3Very high78 Ų7839.9 Ų39.934%0.33920%0.195SC..EExtended strand (participates in β ladder)trans-133151.4179.1-62.7-177.8-179.9178.10111.5A166 L167 V168A166-K210 PolarHBondContact O-N 2.77Å; L167-K210 WeakPolarHBondContact CA-O 3.38Å; L167-K210 HydrophobicContact CD2-CB 3.87Å; V168-K210 PolarHBondContact N-O 3.07Å
211P98.4Very high97.3Very high2 Ų236.4 Ų36.41%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-70.5147.9169.926.2-30.1000111.6V168 F197 V198 L201 L202 L238V168-P211 WeakPolarHBondContact O-CA 3.28Å; F197-P211 HydrophobicContact CE1-CB 3.88Å; F197-P211 HydrophobicContact CZ-CB 4.44Å; V198-P211 HydrophobicContact CG1-CG 4.29Å; V198-P211 HydrophobicContact CG2-CB 4.18Å; L201-P211 HydrophobicContact CD2-CB 3.94Å; L201-P211 HydrophobicContact CD2-CG 4.43Å; L202-P211 HydrophobicContact CD2-CG 3.97Å; L202-P211 HydrophobicContact CG-CG 3.94Å; P211-L238 HydrophobicContact CG-CD2 4.01Å
212V98.6Very high97.2Very high2 Ų238 Ų381%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-128.2134.9168.353.90000109.4L167 V168 G169 T214 H239 Q241L167-V212 HydrophobicContact CB-CB 4.12Å; L167-V212 HydrophobicContact CB-CG1 3.87Å; V168-V212 VanDerWaalsContact C-CG1 3.46Å; V168-V212 WeakPolarHBondContact O-CG1 3.5Å; V168-V212 PolarHBondContact O-N 3.03Å; G169-V212 WeakPolarHBondContact CA-O 3.38Å; V212-T214 PolarHBondContact O-N 2.65Å; V212-T214 PolarHBondContact O-OG1 3.01Å; V212-H239 HydrophobicContact CB-CB 4.16Å; V212-H239 HydrophobicContact CG2-CB 3.76Å; V212-H239 WeakPolarHBondContact CG2-O 3.43Å; V212-Q241 HydrophobicContact CG1-CG 4.22Å; V212-Q241 VanDerWaalsContact CG1-NE2 3.29Å; V212-Q241 HydrophobicContact CG2-CB 3.92Å; V212-Q241 HydrophobicContact CG2-CG 3.7Å
213V98.6Very high97.2Very high0 Ų039.2 Ų39.20%019%0.191CC..EExtended strand (participates in β ladder)trans-73.7124.3179.2-179.60000108.7L229 M232 A233 L238 H239 I240 Q241V213-L229 HydrophobicContact CG1-CB 3.89Å; V213-L229 HydrophobicContact CG1-CD2 4.18Å; V213-L229 HydrophobicContact CG1-CG 4.49Å; V213-M232 HydrophobicContact CB-CE 4.02Å; V213-M232 HydrophobicContact CG1-CE 3.46Å; V213-M232 VanDerWaalsContact CG1-CE 3.46Å; V213-M232 HydrophobicContact CG2-CE 3.41Å; V213-M232 VanDerWaalsContact CG2-CE 3.41Å; V213-A233 HydrophobicContact CB-CB 4.33Å; V213-A233 HydrophobicContact CG2-CB 3.87Å; V213-L238 HydrophobicContact CG2-CB 3.94Å; V213-L238 HydrophobicContact CG2-CD1 3.78Å; V213-H239 PolarHBondContact N-O 3.46Å; V213-I240 HydrophobicContact CB-CG1 4.1Å; V213-I240 CarbonylContact O-C 3.51Å; V213-I240 VanDerWaalsContact O-CA 3.31Å; V213-I240 WeakPolarHBondContact O-CA 3.46Å; V213-Q241 PolarHBondContact O-N 3.38Å
214T98.7Very high97.1Very high0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-132.171.6-164.6-50.90000111.8F144 G169 K170 V171 C172 V212 R216 Q241F144-T214 HydrophobicContact CD1-CG2 3.39Å; F144-T214 HydrophobicContact CD2-CG2 4.34Å; F144-T214 HydrophobicContact CE1-CG2 3.21Å; F144-T214 HydrophobicContact CE2-CG2 4.19Å; F144-T214 HydrophobicContact CG-CG2 3.97Å; F144-T214 HydrophobicContact CZ-CG2 3.65Å; G169-T214 WeakPolarHBondContact CA-OG1 3.38Å; K170-T214 WeakPolarHBondContact O-CB 3.35Å; V171-T214 CarbonylContact C-O 3.59Å; V171-T214 WeakPolarHBondContact CA-O 3.27Å; V171-T214 HydrophobicContact CG2-CG2 4.16Å; C172-T214 PolarHBondContact N-O 3.42Å; V212-T214 PolarHBondContact O-N 2.65Å; V212-T214 PolarHBondContact O-OG1 3.01Å; T214-R216 PolarHBondContact O-N 2.99Å; T214-Q241 WeakPolarHBondContact CA-O 3.32Å; T214-Q241 HydrophobicContact CG2-CG 3.73Å; T214-Q241 WeakPolarHBondContact OG1-CG 3.19Å; T214-Q241 PolarHBondContact OG1-NE2 2.91Å
215P98.2Very high97.1Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-56.4131.4156.328-32.3000107.4L226 L229 Q241 S242 L273P215-L226 HydrophobicContact CB-CD2 3.74Å; P215-L226 HydrophobicContact CG-CD2 4.4Å; P215-L229 HydrophobicContact CB-CD1 3.89Å; P215-L229 HydrophobicContact CG-CD1 4.46Å; P215-Q241 WeakPolarHBondContact CD-O 3.23Å; P215-S242 PolarHBondContact O-OG 2.6Å; P215-S242 VanDerWaalsContact O-OG 3.12Å; P215-L273 HydrophobicContact CG-CD1 4.27Å
216R97.4Very high97.1Very high8 Ų823.3 Ų23.33%0.0313%0.129CC..  trans-60-57-177.3-173.9-179.1-177.697.22.7110L105 T109 E113 V171 C172 M173 T214 S220 S242 H243L105-R216 VanDerWaalsContact CD2-NH2 3.35Å; T109-R216 VanDerWaalsContact CG2-NH2 3.31Å; E113-R216 VanDerWaalsContact CD-NH1 3.31Å; E113-R216 IonicContact OE1-CZ 3.54Å; E113-R216 IonicContact OE1-NH1 3.96Å; E113-R216 PolarHBondContact OE1-NH1 2.8Å; E113-R216 IonicContact OE1-NH2 3.95Å; E113-R216 PolarHBondContact OE1-NH2 3.24Å; E113-R216 IonicContact OE2-NH1 2.66Å; E113-R216 PolarHBondContact OE2-NH1 2.98Å; V171-R216 HydrophobicContact CG1-CB 3.68Å; V171-R216 HydrophobicContact CG1-CG 4.22Å; C172-R216 PolarHBondContact O-N 2.96Å; C172-R216 VanDerWaalsContact O-N 3.17Å; M173-R216 HydrophobicContact CE-CB 4.4Å; M173-R216 VanDerWaalsContact CE-CD 3.48Å; T214-R216 PolarHBondContact O-N 2.99Å; R216-S220 WeakPolarHBondContact CB-OG 3.39Å; R216-S242 PolarHBondContact O-OG 3.24Å; R216-H243 PolarHBondContact O-N 3.37Å; R216-H243 PolarHBondContact O-ND1 3.38Å
217F97.1Very high97.1Very high13 Ų1323.2 Ų23.26%0.05714%0.138CC..  trans-169.9158.7178.267.8-46.3000108.3P219 S220 H243 E250 W253 Y268F217-P219 VanDerWaalsContact C-N 3.34Å; F217-P219 HydrophobicContact CD2-CB 3.98Å; F217-P219 HydrophobicContact CD2-CG 3.56Å; F217-P219 HydrophobicContact CE2-CB 3.58Å; F217-P219 HydrophobicContact CE2-CG 3.53Å; F217-P219 HydrophobicContact CG-CG 4.35Å; F217-P219 HydrophobicContact CZ-CB 3.89Å; F217-P219 HydrophobicContact CZ-CG 4.34Å; F217-S220 VanDerWaalsContact CD1-OG 3.3Å; F217-S220 WeakPolarHBondContact CD1-OG 3.37Å; F217-S220 VanDerWaalsContact CE1-CB 3.48Å; F217-S220 PolarHBondContact N-OG 2.9Å; F217-S220 PolarHBondContact O-N 3.42Å; F217-S220 PolarHBondContact O-OG 3.02Å; F217-H243 HydrophobicContact CB-CB 4.03Å; F217-E250 HydrophobicContact CD2-CG 4.45Å; F217-W253 HydrophobicContact CE2-CZ3 4.18Å; F217-W253 HydrophobicContact CZ-CZ3 4.2Å; F217-Y268 WeakPolarHBondContact CA-OH 3.48Å
218A96.8Very high97Very high0 Ų023.3 Ų23.30%013%0.129CC..G310 helixtrans-55.1-40.1-173.500000113.9S220 C221 L226 F258 Y264 I267 Y268A218-S220 PolarHBondContact O-N 3.04Å; A218-S220 VanDerWaalsContact O-N 3.11Å; A218-C221 PolarHBondContact O-N 2.93Å; A218-C221 VanDerWaalsContact O-N 3.11Å; A218-L226 HydrophobicContact CB-CD1 4.48Å; A218-F258 HydrophobicContact CB-CE2 3.88Å; A218-F258 HydrophobicContact CB-CZ 4.21Å; A218-F258 WeakPolarHBondContact O-CE2 3.14Å; A218-F258 WeakPolarHBondContact O-CZ 3.39Å; A218-Y264 HydrophobicContact CB-CD2 4.27Å; A218-Y264 HydrophobicContact CB-CE2 3.49Å; A218-Y264 VanDerWaalsContact CB-CE2 3.49Å; A218-I267 HydrophobicContact CB-CD1 4.36Å; A218-I267 HydrophobicContact CB-CG2 4.39Å; A218-Y268 PolarHBondContact N-OH 3.23Å
219P95.3Very high97Very high1 Ų122 Ų221%0.00612%0.122CC..G310 helixtrans-57.8-25.8176.4-28.134.9000115.7R175 F217 E250 W253 V254 L257 Y264R175-P219 WeakPolarHBondContact CD-O 3.49Å; F217-P219 VanDerWaalsContact C-N 3.34Å; F217-P219 HydrophobicContact CD2-CB 3.98Å; F217-P219 HydrophobicContact CD2-CG 3.56Å; F217-P219 HydrophobicContact CE2-CB 3.58Å; F217-P219 HydrophobicContact CE2-CG 3.53Å; F217-P219 HydrophobicContact CG-CG 4.35Å; F217-P219 HydrophobicContact CZ-CB 3.89Å; F217-P219 HydrophobicContact CZ-CG 4.34Å; P219-E250 HydrophobicContact CG-CG 4.48Å; P219-W253 HydrophobicContact CB-CD2 4.05Å; P219-W253 HydrophobicContact CB-CE3 3.6Å; P219-W253 HydrophobicContact CB-CH2 3.69Å; P219-W253 HydrophobicContact CB-CZ2 4.12Å; P219-W253 HydrophobicContact CB-CZ3 3.41Å; P219-W253 VanDerWaalsContact CB-CZ3 3.41Å; P219-W253 HydrophobicContact CG-CD2 4.41Å; P219-W253 HydrophobicContact CG-CE3 3.91Å; P219-W253 HydrophobicContact CG-CZ3 4.13Å; P219-V254 HydrophobicContact CG-CG2 3.54Å; P219-L257 HydrophobicContact CB-CD1 3.94Å; P219-Y264 WeakPolarHBondContact CD-OH 3.38Å
220S95.2Very high96.9Very high5 Ų521.7 Ų21.74%0.03512%0.12CC..G310 helixtrans-91.6-5.1179.566.40000115.4M173 D174 R175 R216 F217 A218M173-S220 CarbonylContact C-O 3.35Å; M173-S220 WeakPolarHBondContact CA-O 3.44Å; D174-S220 PolarHBondContact N-O 3.28Å; R175-S220 PolarHBondContact N-O 3.21Å; R175-S220 WeakPolarHBondContact O-CA 3.39Å; R216-S220 WeakPolarHBondContact CB-OG 3.39Å; F217-S220 VanDerWaalsContact CD1-OG 3.3Å; F217-S220 WeakPolarHBondContact CD1-OG 3.37Å; F217-S220 VanDerWaalsContact CE1-CB 3.48Å; F217-S220 PolarHBondContact N-OG 2.9Å; F217-S220 PolarHBondContact O-N 3.42Å; F217-S220 PolarHBondContact O-OG 3.02Å; A218-S220 PolarHBondContact O-N 3.04Å; A218-S220 VanDerWaalsContact O-N 3.11Å
221C96.3Very high96.8Very high0 Ų022.3 Ų22.30%012%0.124CC..SBendtrans-127.5126.7-171.9-67.50000109.9C172 D174 A218 L225 L226 F258C172-C221 PolarHBondContact O-SG 3.31Å; D174-C221 VanDerWaalsContact OD1-CA 3.25Å; D174-C221 WeakPolarHBondContact OD1-CA 3.43Å; A218-C221 PolarHBondContact O-N 2.93Å; A218-C221 VanDerWaalsContact O-N 3.11Å; C221-L225 HydrophobicContact CB-CD2 4.34Å; C221-L226 HydrophobicContact CB-CD1 4.37Å; C221-L226 HydrophobicContact CB-CD2 3.5Å; C221-L226 HydrophobicContact CB-CG 3.7Å; C221-F258 WeakPolarHBondContact O-CZ 3.29Å
222T95.7Very high96.5Very high37 Ų3722.8 Ų22.823%0.22713%0.126CC..  trans-62.6152.9168.864.90000110.7D174 A224 L225 L226D174-T222 PolarHBondContact OD1-N 2.81Å; D174-T222 WeakPolarHBondContact OD2-CB 3.47Å; D174-T222 WeakPolarHBondContact OD2-CG2 3.24Å; D174-T222 PolarHBondContact OD2-OG1 2.64Å; T222-A224 PolarHBondContact O-N 3.46Å; T222-L225 PolarHBondContact O-N 2.85Å; T222-L225 PolarHBondContact OG1-N 2.79Å; T222-L226 WeakPolarHBondContact O-CG 3.5Å; T222-L226 PolarHBondContact O-N 3.3Å
223E94.9Very high96.4Very high108 Ų10822.9 Ų22.951%0.50513%0.127SC..Hα-helixtrans-55.2-37.6175.7-171179.6175.900111.8L225 L226 A227 F258E223-L225 PolarHBondContact O-N 3.04Å; E223-L226 PolarHBondContact O-N 2.63Å; E223-A227 WeakPolarHBondContact O-CB 3.4Å; E223-A227 PolarHBondContact O-N 3.19Å; E223-F258 HydrophobicContact CB-CE1 4.15Å
224A95.3Very high96.3Very high64 Ų6429.7 Ų29.753%0.52916%0.157SC..Hα-helixtrans-61.6-43.3175.800000112.5T222 K228T222-A224 PolarHBondContact O-N 3.46Å; A224-K228 VanDerWaalsContact O-CG 3.26Å; A224-K228 WeakPolarHBondContact O-CG 3.39Å; A224-K228 PolarHBondContact O-N 3.4Å
225L96.1Very high96Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-66.3-45.3175.1178.260.2000111.1C172 D174 Q190 C221 T222 E223 A227 K228 L229C172-L225 HydrophobicContact CB-CD2 4.42Å; D174-L225 HydrophobicContact CB-CD2 3.9Å; D174-L225 VanDerWaalsContact CG-CD2 3.46Å; D174-L225 WeakPolarHBondContact OD2-CB 3.23Å; Q190-L225 HydrophobicContact CG-CD1 3.9Å; C221-L225 HydrophobicContact CB-CD2 4.34Å; T222-L225 PolarHBondContact O-N 2.85Å; T222-L225 PolarHBondContact OG1-N 2.79Å; E223-L225 PolarHBondContact O-N 3.04Å; L225-A227 PolarHBondContact O-N 3.1Å; L225-K228 PolarHBondContact O-N 3Å; L225-L229 HydrophobicContact CD1-CD1 4.18Å; L225-L229 HydrophobicContact CD1-CD2 4.44Å; L225-L229 HydrophobicContact CD1-CG 4.06Å; L225-L229 HydrophobicContact CG-CD1 4.01Å; L225-L229 HydrophobicContact CG-CG 4.33Å; L225-L229 WeakPolarHBondContact O-CG 3.5Å; L225-L229 PolarHBondContact O-N 3.03Å
226L97.4Very high95.7Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-57-48.2177.9-68.6176.3000111.8P215 A218 C221 T222 E223 K228 L229 G230 F258 I267 Y268 C271 L273P215-L226 HydrophobicContact CB-CD2 3.74Å; P215-L226 HydrophobicContact CG-CD2 4.4Å; A218-L226 HydrophobicContact CB-CD1 4.48Å; C221-L226 HydrophobicContact CB-CD1 4.37Å; C221-L226 HydrophobicContact CB-CD2 3.5Å; C221-L226 HydrophobicContact CB-CG 3.7Å; T222-L226 WeakPolarHBondContact O-CG 3.5Å; T222-L226 PolarHBondContact O-N 3.3Å; E223-L226 PolarHBondContact O-N 2.63Å; L226-K228 VanDerWaalsContact C-N 3.3Å; L226-K228 PolarHBondContact O-N 3.3Å; L226-L229 PolarHBondContact O-N 3.13Å; L226-G230 PolarHBondContact O-N 2.89Å; L226-F258 HydrophobicContact CD1-CE1 4.24Å; L226-F258 HydrophobicContact CD1-CZ 4.21Å; L226-I267 HydrophobicContact CD1-CG2 3.79Å; L226-Y268 HydrophobicContact CD2-CE1 4.43Å; L226-C271 HydrophobicContact CB-CB 4.03Å; L226-L273 HydrophobicContact CB-CD1 3.88Å; L226-L273 HydrophobicContact CD2-CD1 3.69Å; L226-L273 HydrophobicContact CG-CD1 4.36Å; L226-L273 WeakPolarHBondContact O-CD1 3.42Å
227A96.5Very high95.6Very high43 Ų4346.2 Ų46.236%0.35524%0.238SC..Hα-helixtrans-60.3-39.317800000112.3E223 L225 G230 E231E223-A227 WeakPolarHBondContact O-CB 3.4Å; E223-A227 PolarHBondContact O-N 3.19Å; L225-A227 PolarHBondContact O-N 3.1Å; A227-G230 PolarHBondContact O-N 2.66Å; A227-E231 PolarHBondContact O-N 3.48Å
228K95.9Very high95.6Very high93 Ų9346.4 Ų46.440%0.40424%0.239SC..Hα-helixtrans-69.5-39178.1-73.2-77.2160.2-155.50112.7Q190 A224 L225 L226 E231 M232Q190-K228 HydrophobicContact CG-CB 4.01Å; A224-K228 VanDerWaalsContact O-CG 3.26Å; A224-K228 WeakPolarHBondContact O-CG 3.39Å; A224-K228 PolarHBondContact O-N 3.4Å; L225-K228 PolarHBondContact O-N 3Å; L226-K228 VanDerWaalsContact C-N 3.3Å; L226-K228 PolarHBondContact O-N 3.3Å; K228-E231 IonicContact NZ-OE2 3.84Å; K228-E231 PolarHBondContact NZ-OE2 2.69Å; K228-E231 PolarHBondContact O-N 3.39Å; K228-M232 WeakPolarHBondContact O-CB 3.44Å; K228-M232 PolarHBondContact O-N 3.26Å
229L97Very high95.7Very high2 Ų247 Ų471%0.0124%0.242CC..Hα-helixtrans-65.2-39.4174-67.7175.1000111.5C172 T193 V213 P215 L225 L226 M232 A233 L273C172-L229 HydrophobicContact CB-CD1 3.74Å; C172-L229 HydrophobicContact CB-CD2 4.48Å; T193-L229 HydrophobicContact CG2-CD2 4.26Å; V213-L229 HydrophobicContact CG1-CB 3.89Å; V213-L229 HydrophobicContact CG1-CD2 4.18Å; V213-L229 HydrophobicContact CG1-CG 4.49Å; P215-L229 HydrophobicContact CB-CD1 3.89Å; P215-L229 HydrophobicContact CG-CD1 4.46Å; L225-L229 HydrophobicContact CD1-CD1 4.18Å; L225-L229 HydrophobicContact CD1-CD2 4.44Å; L225-L229 HydrophobicContact CD1-CG 4.06Å; L225-L229 HydrophobicContact CG-CD1 4.01Å; L225-L229 HydrophobicContact CG-CG 4.33Å; L225-L229 WeakPolarHBondContact O-CG 3.5Å; L225-L229 PolarHBondContact O-N 3.03Å; L226-L229 PolarHBondContact O-N 3.13Å; L229-M232 HydrophobicContact CD2-CE 3.72Å; L229-M232 PolarHBondContact O-N 2.96Å; L229-A233 WeakPolarHBondContact O-CB 3.37Å; L229-A233 PolarHBondContact O-N 2.92Å; L229-L273 HydrophobicContact CB-CD2 4.26Å
230G97.3Very high95.9Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-65.5-43174.400000113.1L226 A227 M232 A233 K234 C271L226-G230 PolarHBondContact O-N 2.89Å; A227-G230 PolarHBondContact O-N 2.66Å; G230-M232 VanDerWaalsContact C-N 3.32Å; G230-M232 PolarHBondContact O-N 3.33Å; G230-A233 PolarHBondContact O-N 3.23Å; G230-K234 WeakPolarHBondContact O-CB 3.49Å; G230-K234 PolarHBondContact O-N 3.47Å; G230-C271 WeakPolarHBondContact CA-O 3.33Å
231E95.9Very high96.1Very high90 Ų9046.8 Ų46.842%0.42124%0.24SC..Hα-helixtrans-56.8-46.3172.4-173.9-175.6174.700111.1A227 K228 K234 N235A227-E231 PolarHBondContact O-N 3.48Å; K228-E231 IonicContact NZ-OE2 3.84Å; K228-E231 PolarHBondContact NZ-OE2 2.69Å; K228-E231 PolarHBondContact O-N 3.39Å; E231-K234 PolarHBondContact O-N 2.69Å; E231-N235 WeakPolarHBondContact O-CB 3.3Å; E231-N235 PolarHBondContact O-N 3.05Å; E231-N235 PolarHBondContact O-ND2 3.37Å
232M93.2Very high96.2Very high12 Ų1246.8 Ų46.86%0.05924%0.24CC..Hα-helixtrans-62-47.2177177.3-168.659.700112.1T193 C194 V198 V213 K228 L229 G230 K234 N235 N236T193-M232 HydrophobicContact CG2-CE 3.71Å; T193-M232 HydrophobicContact CG2-SD 3.99Å; C194-M232 VanDerWaalsContact CA-SD 3.59Å; C194-M232 HydrophobicContact CB-CG 4.26Å; C194-M232 HydrophobicContact CB-SD 3.55Å; C194-M232 VanDerWaalsContact CB-SD 3.55Å; V198-M232 HydrophobicContact CG2-SD 4.29Å; V213-M232 HydrophobicContact CB-CE 4.02Å; V213-M232 HydrophobicContact CG1-CE 3.46Å; V213-M232 VanDerWaalsContact CG1-CE 3.46Å; V213-M232 HydrophobicContact CG2-CE 3.41Å; V213-M232 VanDerWaalsContact CG2-CE 3.41Å; K228-M232 WeakPolarHBondContact O-CB 3.44Å; K228-M232 PolarHBondContact O-N 3.26Å; L229-M232 HydrophobicContact CD2-CE 3.72Å; L229-M232 PolarHBondContact O-N 2.96Å; G230-M232 VanDerWaalsContact C-N 3.32Å; G230-M232 PolarHBondContact O-N 3.33Å; M232-K234 VanDerWaalsContact C-N 3.32Å; M232-K234 PolarHBondContact O-N 2.84Å; M232-N235 PolarHBondContact O-N 3.01Å; M232-N236 WeakPolarHBondContact O-CB 3.42Å; M232-N236 PolarHBondContact O-N 3.45Å; M232-N236 VanDerWaalsContact O-N 3.12Å; M232-N236 PolarHBondContact O-ND2 2.82Å
233A96.4Very high96.3Very high4 Ų445.6 Ų45.63%0.03323%0.232CC..Hα-helixtrans-59.1-45.9179.900000111V213 L229 G230 N236 K237 L238 I240V213-A233 HydrophobicContact CB-CB 4.33Å; V213-A233 HydrophobicContact CG2-CB 3.87Å; L229-A233 WeakPolarHBondContact O-CB 3.37Å; L229-A233 PolarHBondContact O-N 2.92Å; G230-A233 PolarHBondContact O-N 3.23Å; A233-N236 PolarHBondContact O-N 3.45Å; A233-K237 WeakPolarHBondContact O-CA 3.38Å; A233-K237 PolarHBondContact O-N 3.13Å; A233-L238 PolarHBondContact O-N 3.4Å; A233-I240 HydrophobicContact CB-CD1 3.62Å; A233-I240 HydrophobicContact CB-CG1 3.6Å
234K95.3Very high96.5Very high143 Ų14340.5 Ų40.562%0.62221%0.208SC*.Hα-helixtrans-61.9-50.1177.4-174.7175.8-176.6172.40112.2G230 E231 M232 N236 K237G230-K234 WeakPolarHBondContact O-CB 3.49Å; G230-K234 PolarHBondContact O-N 3.47Å; E231-K234 PolarHBondContact O-N 2.69Å; M232-K234 VanDerWaalsContact C-N 3.32Å; M232-K234 PolarHBondContact O-N 2.84Å; K234-N236 PolarHBondContact O-N 3.06Å; K234-K237 PolarHBondContact O-N 3.26Å
235N93.3Very high96.6Very high110 Ų11037.5 Ų37.559%0.58818%0.184SC*.Hα-helixtrans-62.8-30.1-177.4-72.2-16.3000112.8E231 M232E231-N235 WeakPolarHBondContact O-CB 3.3Å; E231-N235 PolarHBondContact O-N 3.05Å; E231-N235 PolarHBondContact O-ND2 3.37Å; M232-N235 PolarHBondContact O-N 3.01Å
236N92.3Very high96.7Very high77 Ų7737.9 Ų37.941%0.41219%0.185SC..Hα-helixtrans-105.41.8-178.2-64-80.5000113.6M232 A233 K234 L238M232-N236 WeakPolarHBondContact O-CB 3.42Å; M232-N236 PolarHBondContact O-N 3.45Å; M232-N236 VanDerWaalsContact O-N 3.12Å; M232-N236 PolarHBondContact O-ND2 2.82Å; A233-N236 PolarHBondContact O-N 3.45Å; K234-N236 PolarHBondContact O-N 3.06Å; N236-L238 HydrophobicContact CB-CD1 3.71Å; N236-L238 HydrophobicContact CB-CD2 4.24Å; N236-L238 HydrophobicContact CB-CG 3.58Å; N236-L238 PolarHBondContact O-N 3.15Å
237K94.7Very high96.5Very high169 Ų16938.4 Ų38.474%0.73519%0.189SC*.THydrogen-bonded Turntrans5237.7-176.3-56.1-177.4179.7-176.40113.8A233 K234 K277A233-K237 WeakPolarHBondContact O-CA 3.38Å; A233-K237 PolarHBondContact O-N 3.13Å; K234-K237 PolarHBondContact O-N 3.26Å; K237-K277 PolarHBondContact O-NZ 3.45Å
238L97.4Very high96.4Very high16 Ų1641.7 Ų41.78%0.08420%0.2CC..  trans-82.2160.7-176-61.8174.4000111.7V198 P211 V213 A233 N236V198-L238 HydrophobicContact CG1-CD1 3.74Å; V198-L238 HydrophobicContact CG2-CD1 3.95Å; P211-L238 HydrophobicContact CG-CD2 4.01Å; V213-L238 HydrophobicContact CG2-CB 3.94Å; V213-L238 HydrophobicContact CG2-CD1 3.78Å; A233-L238 PolarHBondContact O-N 3.4Å; N236-L238 HydrophobicContact CB-CD1 3.71Å; N236-L238 HydrophobicContact CB-CD2 4.24Å; N236-L238 HydrophobicContact CB-CG 3.58Å; N236-L238 PolarHBondContact O-N 3.15Å
239H98.7Very high96.3Very high12 Ų1242.9 Ų42.96%0.05621%0.207CC..EExtended strand (participates in β ladder)trans-73.3158.5165.5-61.685.4000110L167 V212 V213 K277 L383L167-H239 HydrophobicContact CD1-CB 4.19Å; V212-H239 HydrophobicContact CB-CB 4.16Å; V212-H239 HydrophobicContact CG2-CB 3.76Å; V212-H239 WeakPolarHBondContact CG2-O 3.43Å; V213-H239 PolarHBondContact N-O 3.46Å; H239-K277 VanDerWaalsContact CA-O 3.3Å; H239-K277 WeakPolarHBondContact CA-O 3.29Å; H239-K277 HydrophobicContact CB-CB 4.45Å; H239-L383 PolarHBondContact CD2-O 3.5Å; H239-L383 PolarHBondContact NE2-O 3.47Å; H239-L383 VanDerWaalsContact NE2-O 3.12Å
240I98.9Very high96.1Very high1 Ų142.9 Ų42.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-126.2139.2173.3-64145.7000108.2V213 A233 L273 T275 K277 T278 I279V213-I240 HydrophobicContact CB-CG1 4.1Å; V213-I240 CarbonylContact O-C 3.51Å; V213-I240 VanDerWaalsContact O-CA 3.31Å; V213-I240 WeakPolarHBondContact O-CA 3.46Å; A233-I240 HydrophobicContact CB-CD1 3.62Å; A233-I240 HydrophobicContact CB-CG1 3.6Å; I240-L273 HydrophobicContact CD1-CD2 4.18Å; I240-L273 HydrophobicContact CG1-CD2 4.18Å; I240-L273 HydrophobicContact CG2-CB 4.46Å; I240-L273 HydrophobicContact CG2-CD2 3.9Å; I240-T275 HydrophobicContact CD1-CG2 3.97Å; I240-K277 PolarHBondContact N-O 2.85Å; I240-T278 HydrophobicContact CB-CG2 4.39Å; I240-T278 HydrophobicContact CG2-CG2 4.25Å; I240-T278 CarbonylContact O-C 3.59Å; I240-T278 WeakPolarHBondContact O-CA 3.11Å; I240-I279 PolarHBondContact O-N 3.01Å
241Q98.9Very high96.1Very high1 Ų143.9 Ų43.91%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-132.3142.7169.168.9-179.6-14.600110.7C142 Y143 F144 V212 V213 T214 P215 I279C142-Q241 PolarHBondContact SG-OE1 2.93Å; Y143-Q241 PolarHBondContact O-NE2 3.19Å; F144-Q241 HydrophobicContact CD2-CG 4.11Å; F144-Q241 VanDerWaalsContact CD2-OE1 3.29Å; F144-Q241 HydrophobicContact CE2-CB 3.91Å; F144-Q241 HydrophobicContact CE2-CG 3.38Å; F144-Q241 HydrophobicContact CZ-CB 4.21Å; F144-Q241 HydrophobicContact CZ-CG 3.65Å; V212-Q241 HydrophobicContact CG1-CG 4.22Å; V212-Q241 VanDerWaalsContact CG1-NE2 3.29Å; V212-Q241 HydrophobicContact CG2-CB 3.92Å; V212-Q241 HydrophobicContact CG2-CG 3.7Å; V213-Q241 PolarHBondContact O-N 3.38Å; T214-Q241 WeakPolarHBondContact CA-O 3.32Å; T214-Q241 HydrophobicContact CG2-CG 3.73Å; T214-Q241 WeakPolarHBondContact OG1-CG 3.19Å; T214-Q241 PolarHBondContact OG1-NE2 2.91Å; P215-Q241 WeakPolarHBondContact CD-O 3.23Å; Q241-I279 VanDerWaalsContact CA-O 3.26Å; Q241-I279 WeakPolarHBondContact CA-O 3.19Å; Q241-I279 HydrophobicContact CB-CG2 3.58Å
242S98.9Very high96.1Very high0 Ų044.3 Ų44.30%022%0.215CC..EExtended strand (participates in β ladder)trans-157.9-178.6174.5-1610000110.1P215 R216 Y268 I279 M280 A281P215-S242 PolarHBondContact O-OG 2.6Å; P215-S242 VanDerWaalsContact O-OG 3.12Å; R216-S242 PolarHBondContact O-OG 3.24Å; S242-Y268 PolarHBondContact OG-OH 2.96Å; S242-I279 PolarHBondContact N-O 3.42Å; S242-M280 VanDerWaalsContact CB-SD 3.53Å; S242-M280 WeakPolarHBondContact O-CA 3.31Å; S242-A281 PolarHBondContact O-N 2.65Å
243H98.8Very high96.1Very high13 Ų1347.7 Ų47.76%0.0623%0.227CC..EExtended strand (participates in β ladder)trans-102.2150.2169.6-52.262.7000109.8H84 H86 F144 R216 F217 Y268 H282H84-H243 AromaticContact CE1-CE1 3.65Å; H84-H243 AromaticContact CE1-NE2 3.44Å; H84-H243 PolarHBondContact CE1-NE2 2.9Å; H84-H243 AromaticContact NE2-CD2 3.98Å; H84-H243 AromaticContact NE2-NE2 3.37Å; H84-H243 PolarHBondContact NE2-NE2 3.4Å; H86-H243 AromaticContact CE1-CE1 3.43Å; H86-H243 PolarHBondContact CE1-CE1 3.21Å; H86-H243 VanDerWaalsContact CE1-CE1 3.43Å; H86-H243 AromaticContact CE1-NE2 3.35Å; H86-H243 PolarHBondContact CE1-NE2 3.35Å; H86-H243 VanDerWaalsContact CE1-NE2 3.35Å; H86-H243 AromaticContact NE2-CE1 3.64Å; H86-H243 AromaticContact NE2-NE2 3.12Å; H86-H243 PolarHBondContact NE2-NE2 3.33Å; H86-H243 VanDerWaalsContact NE2-NE2 3.12Å; F144-H243 AromaticContact CE1-CE1 3.45Å; F144-H243 VanDerWaalsContact CE1-CE1 3.45Å; F144-H243 WeakPolarHBondContact CE1-CE1 3.42Å; F144-H243 AromaticContact CE1-ND1 3.89Å; F144-H243 AromaticContact CZ-CE1 3.64Å; F144-H243 AromaticContact CZ-ND1 3.93Å; R216-H243 PolarHBondContact O-N 3.37Å; R216-H243 PolarHBondContact O-ND1 3.38Å; F217-H243 HydrophobicContact CB-CB 4.03Å; H243-Y268 PolarHBondContact O-OH 2.86Å; H243-H282 AromaticContact CD2-CD2 3.78Å; H243-H282 AromaticContact CD2-NE2 3.35Å; H243-H282 PolarHBondContact CD2-NE2 2.94Å; H243-H282 VanDerWaalsContact CD2-NE2 3.35Å
244I98.6Very high96.1Very high0 Ų047.7 Ų47.70%023%0.226CC..EExtended strand (participates in β ladder)trans-147.4137.5175.6-157.2168.4000111.9E246 Y264 T265 Y268 M280 A281 G283 L286 F294 L301I244-E246 PolarHBondContact O-N 3.01Å; I244-E246 VanDerWaalsContact O-N 3.08Å; I244-Y264 HydrophobicContact CG1-CD1 4.01Å; I244-Y264 HydrophobicContact CG1-CD2 3.96Å; I244-Y264 HydrophobicContact CG1-CE1 4.37Å; I244-Y264 HydrophobicContact CG1-CE2 4.31Å; I244-Y264 HydrophobicContact CG1-CG 3.79Å; I244-T265 WeakPolarHBondContact CD1-OG1 3.42Å; I244-Y268 HydrophobicContact CB-CE2 4.38Å; I244-Y268 HydrophobicContact CD1-CD2 3.88Å; I244-Y268 HydrophobicContact CD1-CE2 4.02Å; I244-Y268 HydrophobicContact CG1-CD2 4.41Å; I244-Y268 HydrophobicContact CG1-CE2 4.06Å; I244-M280 HydrophobicContact CB-CB 4.1Å; I244-M280 HydrophobicContact CB-CG 4.45Å; I244-M280 HydrophobicContact CG2-CB 3.53Å; I244-M280 HydrophobicContact CG2-CG 4.25Å; I244-A281 PolarHBondContact N-O 3.24Å; I244-A281 VanDerWaalsContact N-O 3.13Å; I244-G283 WeakPolarHBondContact O-CA 2.93Å; I244-G283 PolarHBondContact O-N 3.4Å; I244-L286 HydrophobicContact CD1-CD2 4.08Å; I244-L286 HydrophobicContact CG1-CD2 4.21Å; I244-L286 HydrophobicContact CG2-CD1 4.32Å; I244-L286 HydrophobicContact CG2-CD2 4.33Å; I244-F294 HydrophobicContact CD1-CE2 4.07Å; I244-F294 HydrophobicContact CD1-CZ 4.02Å; I244-F294 HydrophobicContact CG2-CZ 4.23Å; I244-L301 HydrophobicContact CG2-CD2 4.26Å
245S97.9Very high96.1Very high2 Ų246.4 Ų46.41%0.01422%0.221CC..SBendtrans4249.2169.9-56.20000113.5Y264 C284 H285S245-Y264 VanDerWaalsContact N-CD1 3.28Å; S245-Y264 WeakPolarHBondContact OG-CD1 3.18Å; S245-C284 PolarHBondContact O-N 2.84Å; S245-H285 PolarHBondContact O-CD2 3.14Å; S245-H285 PolarHBondContact O-N 3.44Å
246E97.1Very high96.2Very high7 Ų748.3 Ų48.33%0.03323%0.226CC..  trans-76.9-51.4-174.3-179.3-172.616100110.8L101 I244 E250 H282 C284 H285 S313L101-E246 WeakPolarHBondContact CD2-OE2 3.31Å; I244-E246 PolarHBondContact O-N 3.01Å; I244-E246 VanDerWaalsContact O-N 3.08Å; E246-E250 WeakPolarHBondContact CB-OE2 3.42Å; E246-E250 PolarHBondContact N-OE2 3.07Å; E246-H282 HydrophobicContact CB-CB 3.84Å; E246-H282 HydrophobicContact CG-CB 3.86Å; E246-H282 VanDerWaalsContact CG-CG 3.49Å; E246-H282 IonicContact OE1-CE1 3.92Å; E246-H282 IonicContact OE2-CD2 3.34Å; E246-H282 IonicContact OE2-CE1 2.62Å; E246-H282 IonicContact OE2-NE2 3.83Å; E246-C284 WeakPolarHBondContact O-CB 3.4Å; E246-C284 PolarHBondContact O-SG 2.94Å; E246-H285 PolarHBondContact O-CD2 3.12Å; E246-H285 VanDerWaalsContact O-CD2 3.25Å; E246-H285 PolarHBondContact O-NE2 3.36Å; E246-S313 WeakPolarHBondContact O-CB 3.11Å; E246-S313 PolarHBondContact OE1-OG 3.25Å
247N93.8Very high96.3Very high12 Ų1247.1 Ų47.16%0.06422%0.219CC..SBendtrans-133.7164.617977.844.5000112L101 E249 E250 V251L101-N247 VanDerWaalsContact CB-ND2 3.32Å; L101-N247 WeakPolarHBondContact CB-ND2 3.17Å; L101-N247 WeakPolarHBondContact CD2-ND2 3.14Å; N247-E249 PolarHBondContact OD1-N 3.16Å; N247-E249 VanDerWaalsContact OD1-N 3.08Å; N247-E250 PolarHBondContact O-N 3.29Å; N247-E250 VanDerWaalsContact OD1-CB 3.28Å; N247-E250 WeakPolarHBondContact OD1-CB 3.46Å; N247-E250 PolarHBondContact OD1-N 3.35Å; N247-V251 WeakPolarHBondContact O-CG2 3.49Å; N247-V251 PolarHBondContact O-N 3.12Å; N247-V251 VanDerWaalsContact O-N 3.13Å
248L94.3Very high96.4Very high112 Ų11239.7 Ų39.759%0.58619%0.187SC*.Hα-helixtrans-68.3-37.5-175-66.6173.4000113.4E250 V251 E252L248-E250 VanDerWaalsContact C-N 3.33Å; L248-E250 PolarHBondContact O-N 3.43Å; L248-V251 PolarHBondContact O-N 3.17Å; L248-E252 WeakPolarHBondContact O-CG 3.26Å; L248-E252 PolarHBondContact O-N 2.82Å
249E93.3Very high96.3Very high118 Ų11843.5 Ų43.555%0.55121%0.213SC*.Hα-helixtrans-65-38.8178.7-65.2-179.9179.800111.6L102 N247 W253L102-E249 HydrophobicContact CD1-CB 4.41Å; N247-E249 PolarHBondContact OD1-N 3.16Å; N247-E249 VanDerWaalsContact OD1-N 3.08Å; E249-W253 WeakPolarHBondContact O-CB 3.39Å; E249-W253 PolarHBondContact O-N 3.17Å
250E94.1Very high96.1Very high1 Ų149.5 Ų49.51%0.00525%0.245CC..Hα-helixtrans-62.5-47.2173.2-174.7-154.3-173.500110.6F217 P219 E246 N247 L248 E252 W253 V254 Y264F217-E250 HydrophobicContact CD2-CG 4.45Å; P219-E250 HydrophobicContact CG-CG 4.48Å; E246-E250 WeakPolarHBondContact CB-OE2 3.42Å; E246-E250 PolarHBondContact N-OE2 3.07Å; N247-E250 PolarHBondContact O-N 3.29Å; N247-E250 VanDerWaalsContact OD1-CB 3.28Å; N247-E250 WeakPolarHBondContact OD1-CB 3.46Å; N247-E250 PolarHBondContact OD1-N 3.35Å; L248-E250 VanDerWaalsContact C-N 3.33Å; L248-E250 PolarHBondContact O-N 3.43Å; E250-E252 VanDerWaalsContact C-N 3.34Å; E250-E252 PolarHBondContact O-N 3.18Å; E250-W253 PolarHBondContact O-N 3.3Å; E250-V254 VanDerWaalsContact O-CG2 3.29Å; E250-V254 WeakPolarHBondContact O-CG2 3.37Å; E250-V254 PolarHBondContact O-N 2.89Å; E250-Y264 HydrophobicContact CG-CE1 4.22Å; E250-Y264 VanDerWaalsContact OE1-CE1 3.27Å; E250-Y264 WeakPolarHBondContact OE1-CE1 3.25Å; E250-Y264 PolarHBondContact OE1-OH 3.42Å
251V95.6Very high95.9Very high22 Ų2250.8 Ų50.813%0.13326%0.255CS..Hα-helixtrans-60-44179.4169.60000111.3N247 L248 V254 K255 H285N247-V251 WeakPolarHBondContact O-CG2 3.49Å; N247-V251 PolarHBondContact O-N 3.12Å; N247-V251 VanDerWaalsContact O-N 3.13Å; L248-V251 PolarHBondContact O-N 3.17Å; V251-V254 PolarHBondContact O-N 3.16Å; V251-K255 WeakPolarHBondContact O-CG 3.48Å; V251-K255 PolarHBondContact O-N 2.7Å; V251-H285 HydrophobicContact CG2-CB 4.32Å
252E95.8Very high95.7Very high99 Ų9959.3 Ų59.346%0.46329%0.294SS..Hα-helixtrans-66.8-42.3176.3-66.2-52.4119.600111.8L248 E250 V254 K255 E256L248-E252 WeakPolarHBondContact O-CG 3.26Å; L248-E252 PolarHBondContact O-N 2.82Å; E250-E252 VanDerWaalsContact C-N 3.34Å; E250-E252 PolarHBondContact O-N 3.18Å; E252-V254 VanDerWaalsContact C-N 3.29Å; E252-V254 PolarHBondContact O-N 2.87Å; E252-K255 WeakPolarHBondContact O-CB 3.25Å; E252-K255 PolarHBondContact O-N 2.92Å; E252-K255 VanDerWaalsContact O-N 3.12Å; E252-K255 IonicContact OE1-NZ 2.71Å; E252-K255 PolarHBondContact OE1-NZ 3.15Å; E252-K255 IonicContact OE2-NZ 3.86Å; E252-E256 PolarHBondContact O-N 2.65Å; E252-E256 VanDerWaalsContact O-N 3.13Å
253W94.3Very high95.6Very high83 Ų8361.2 Ų61.231%0.31431%0.308SS..Hα-helixtrans-62-37.3176.8-174.630.3000112.5L102 F217 P219 E249 E250 K255 E256 L257L102-W253 HydrophobicContact CD2-CE3 4.18Å; L102-W253 HydrophobicContact CD2-CZ3 3.98Å; F217-W253 HydrophobicContact CE2-CZ3 4.18Å; F217-W253 HydrophobicContact CZ-CZ3 4.2Å; P219-W253 HydrophobicContact CB-CD2 4.05Å; P219-W253 HydrophobicContact CB-CE3 3.6Å; P219-W253 HydrophobicContact CB-CH2 3.69Å; P219-W253 HydrophobicContact CB-CZ2 4.12Å; P219-W253 HydrophobicContact CB-CZ3 3.41Å; P219-W253 VanDerWaalsContact CB-CZ3 3.41Å; P219-W253 HydrophobicContact CG-CD2 4.41Å; P219-W253 HydrophobicContact CG-CE3 3.91Å; P219-W253 HydrophobicContact CG-CZ3 4.13Å; E249-W253 WeakPolarHBondContact O-CB 3.39Å; E249-W253 PolarHBondContact O-N 3.17Å; E250-W253 PolarHBondContact O-N 3.3Å; W253-K255 PolarHBondContact O-N 2.89Å; W253-E256 PolarHBondContact O-N 3.35Å; W253-L257 HydrophobicContact CD2-CD1 4.06Å; W253-L257 HydrophobicContact CG-CD1 4.18Å; W253-L257 HydrophobicContact CZ2-CD1 4.03Å; W253-L257 WeakPolarHBondContact O-CG 3.47Å; W253-L257 PolarHBondContact O-N 2.96Å
254V96Very high95.6Very high3 Ų361 Ų612%0.01831%0.306CS..Hα-helixtrans-62.1-42.2174.1168.20000111.5P219 E250 V251 E252 E256 L257 F258 Y264 I267P219-V254 HydrophobicContact CG-CG2 3.54Å; E250-V254 VanDerWaalsContact O-CG2 3.29Å; E250-V254 WeakPolarHBondContact O-CG2 3.37Å; E250-V254 PolarHBondContact O-N 2.89Å; V251-V254 PolarHBondContact O-N 3.16Å; E252-V254 VanDerWaalsContact C-N 3.29Å; E252-V254 PolarHBondContact O-N 2.87Å; V254-E256 VanDerWaalsContact C-N 3.3Å; V254-E256 PolarHBondContact O-N 3.31Å; V254-L257 PolarHBondContact O-N 3.44Å; V254-F258 HydrophobicContact CG1-CD2 4.33Å; V254-F258 PolarHBondContact O-N 3.5Å; V254-Y264 HydrophobicContact CB-CD1 4.43Å; V254-Y264 HydrophobicContact CG1-CD1 4.31Å; V254-Y264 HydrophobicContact CG1-CD2 3.92Å; V254-Y264 HydrophobicContact CG1-CE2 4.31Å; V254-Y264 HydrophobicContact CG1-CG 3.92Å; V254-Y264 HydrophobicContact CG2-CD1 4.05Å; V254-Y264 HydrophobicContact CG2-CD2 4.33Å; V254-Y264 HydrophobicContact CG2-CE1 3.69Å; V254-Y264 HydrophobicContact CG2-CE2 4Å; V254-Y264 HydrophobicContact CG2-CG 4.37Å; V254-I267 HydrophobicContact CG1-CD1 3.28Å
255K95.2Very high95.6Very high117 Ų11761 Ų6151%0.50931%0.306SS..Hα-helixtrans-61.5-39176.5-68.7171.2-175.2168.10112V251 E252 W253V251-K255 WeakPolarHBondContact O-CG 3.48Å; V251-K255 PolarHBondContact O-N 2.7Å; E252-K255 WeakPolarHBondContact O-CB 3.25Å; E252-K255 PolarHBondContact O-N 2.92Å; E252-K255 VanDerWaalsContact O-N 3.12Å; E252-K255 IonicContact OE1-NZ 2.71Å; E252-K255 PolarHBondContact OE1-NZ 3.15Å; E252-K255 IonicContact OE2-NZ 3.86Å; W253-K255 PolarHBondContact O-N 2.89Å
256E95.3Very high95.6Very high150 Ų15061.7 Ų61.770%0.70131%0.31SS*.Hα-helixtrans-65.5-41.1176-66.6179.7174.700112.3E252 W253 V254E252-E256 PolarHBondContact O-N 2.65Å; E252-E256 VanDerWaalsContact O-N 3.13Å; W253-E256 PolarHBondContact O-N 3.35Å; V254-E256 VanDerWaalsContact C-N 3.3Å; V254-E256 PolarHBondContact O-N 3.31Å
257L95Very high95.7Very high52 Ų5261.5 Ų61.527%0.27231%0.309SS..Hα-helixtrans-78.6-26.7-176.6-70.5176.6000113.8R175 P219 W253 V254 P259R175-L257 VanDerWaalsContact NH1-CD1 3.35Å; P219-L257 HydrophobicContact CB-CD1 3.94Å; W253-L257 HydrophobicContact CD2-CD1 4.06Å; W253-L257 HydrophobicContact CG-CD1 4.18Å; W253-L257 HydrophobicContact CZ2-CD1 4.03Å; W253-L257 WeakPolarHBondContact O-CG 3.47Å; W253-L257 PolarHBondContact O-N 2.96Å; V254-L257 PolarHBondContact O-N 3.44Å; L257-P259 VanDerWaalsContact C-CD 3.48Å
258F96.2Very high95.9Very high12 Ų1261 Ų615%0.05331%0.306CS..  trans-130.262.8-176.5-60.7-90.7000111.5A218 C221 E223 L226 V254 N260 S261 I267A218-F258 HydrophobicContact CB-CE2 3.88Å; A218-F258 HydrophobicContact CB-CZ 4.21Å; A218-F258 WeakPolarHBondContact O-CE2 3.14Å; A218-F258 WeakPolarHBondContact O-CZ 3.39Å; C221-F258 WeakPolarHBondContact O-CZ 3.29Å; E223-F258 HydrophobicContact CB-CE1 4.15Å; L226-F258 HydrophobicContact CD1-CE1 4.24Å; L226-F258 HydrophobicContact CD1-CZ 4.21Å; V254-F258 HydrophobicContact CG1-CD2 4.33Å; V254-F258 PolarHBondContact O-N 3.5Å; F258-N260 PolarHBondContact O-N 3.27Å; F258-S261 PolarHBondContact O-N 2.99Å; F258-S261 VanDerWaalsContact O-N 3.11Å; F258-I267 HydrophobicContact CB-CD1 3.64Å; F258-I267 HydrophobicContact CB-CG1 3.98Å; F258-I267 HydrophobicContact CD1-CD1 4.31Å; F258-I267 HydrophobicContact CD1-CG1 4.4Å; F258-I267 HydrophobicContact CD1-CG2 4.09Å; F258-I267 HydrophobicContact CD2-CD1 3.74Å; F258-I267 HydrophobicContact CE1-CG2 4.13Å; F258-I267 HydrophobicContact CE2-CD1 4.47Å; F258-I267 HydrophobicContact CG-CD1 3.65Å; F258-I267 HydrophobicContact CG-CG1 4.12Å; F258-I267 HydrophobicContact CG-CG2 4.47Å
259P95.3Very high96.1Very high97 Ų9759.3 Ų59.363%0.6330%0.295SS*.THydrogen-bonded Turntrans-67.3-12.3-173.528.7-37.3000114.2L257L257-P259 VanDerWaalsContact C-CD 3.48Å
260N94.3Very high96.3Very high138 Ų13858.5 Ų58.574%0.73829%0.29SS*.THydrogen-bonded Turntrans-92.83.1179-60.7-38.6000113.2F258 K270F258-N260 PolarHBondContact O-N 3.27Å; N260-K270 PolarHBondContact O-NZ 3.3Å
261S95.5Very high96.4Very high28 Ų2858.7 Ų58.720%0.19629%0.291CS..  trans-104.7143.6176.9-72.90000111.1F258 D266 I267F258-S261 PolarHBondContact O-N 2.99Å; F258-S261 VanDerWaalsContact O-N 3.11Å; S261-D266 VanDerWaalsContact CA-OD2 3.31Å; S261-D266 WeakPolarHBondContact CA-OD2 3.45Å; S261-I267 VanDerWaalsContact CB-CG1 3.47Å; S261-I267 VanDerWaalsContact OG-CG1 3.31Å; S261-I267 WeakPolarHBondContact OG-CG1 3.49Å
262E95.3Very high96.6Very high180 Ų18061.3 Ų61.384%0.84130%0.304SS*.SBendtrans-76.4-30-177.2-63-176.2172.500112D266E262-D266 HydrophobicContact CB-CB 4.34Å; E262-D266 PolarHBondContact N-OD2 2.7Å
263S97.2Very high96.7Very high40 Ų4056.6 Ų56.628%0.2828%0.282SS..SBendtrans-155.4174.3179.6700000111.1T265 D266 I267 E290S263-T265 VanDerWaalsContact C-N 3.3Å; S263-T265 PolarHBondContact O-N 3.18Å; S263-T265 PolarHBondContact OG-N 3.03Å; S263-D266 PolarHBondContact O-N 2.85Å; S263-D266 PolarHBondContact OG-N 3.29Å; S263-D266 VanDerWaalsContact OG-N 3.13Å; S263-I267 PolarHBondContact O-N 3.45Å; S263-E290 WeakPolarHBondContact CB-OE1 3.48Å; S263-E290 PolarHBondContact OG-OE1 3.45Å
264Y98.2Very high96.9Very high9 Ų953 Ų534%0.03527%0.269CS..Hα-helixtrans-61.7-43.6173.4-159.1161000110A218 P219 I244 S245 E250 V254 D266 I267 Y268A218-Y264 HydrophobicContact CB-CD2 4.27Å; A218-Y264 HydrophobicContact CB-CE2 3.49Å; A218-Y264 VanDerWaalsContact CB-CE2 3.49Å; P219-Y264 WeakPolarHBondContact CD-OH 3.38Å; I244-Y264 HydrophobicContact CG1-CD1 4.01Å; I244-Y264 HydrophobicContact CG1-CD2 3.96Å; I244-Y264 HydrophobicContact CG1-CE1 4.37Å; I244-Y264 HydrophobicContact CG1-CE2 4.31Å; I244-Y264 HydrophobicContact CG1-CG 3.79Å; S245-Y264 VanDerWaalsContact N-CD1 3.28Å; S245-Y264 WeakPolarHBondContact OG-CD1 3.18Å; E250-Y264 HydrophobicContact CG-CE1 4.22Å; E250-Y264 VanDerWaalsContact OE1-CE1 3.27Å; E250-Y264 WeakPolarHBondContact OE1-CE1 3.25Å; E250-Y264 PolarHBondContact OE1-OH 3.42Å; V254-Y264 HydrophobicContact CB-CD1 4.43Å; V254-Y264 HydrophobicContact CG1-CD1 4.31Å; V254-Y264 HydrophobicContact CG1-CD2 3.92Å; V254-Y264 HydrophobicContact CG1-CE2 4.31Å; V254-Y264 HydrophobicContact CG1-CG 3.92Å; V254-Y264 HydrophobicContact CG2-CD1 4.05Å; V254-Y264 HydrophobicContact CG2-CD2 4.33Å; V254-Y264 HydrophobicContact CG2-CE1 3.69Å; V254-Y264 HydrophobicContact CG2-CE2 4Å; V254-Y264 HydrophobicContact CG2-CG 4.37Å; Y264-D266 VanDerWaalsContact C-N 3.3Å; Y264-D266 PolarHBondContact O-N 2.81Å; Y264-I267 HydrophobicContact CD2-CD1 4.25Å; Y264-I267 WeakPolarHBondContact O-CB 3.4Å; Y264-I267 PolarHBondContact O-N 3.14Å; Y264-Y268 HydrophobicContact CD2-CD2 4.21Å; Y264-Y268 AromaticContact CD2-CE2 3.66Å; Y264-Y268 HydrophobicContact CD2-CE2 3.66Å; Y264-Y268 HydrophobicContact CE2-CD2 4.34Å; Y264-Y268 AromaticContact CE2-CE2 3.38Å; Y264-Y268 HydrophobicContact CE2-CE2 3.38Å; Y264-Y268 AromaticContact CE2-CZ 3.81Å
265T98.4Very high97Very high0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-61.4-38177.8-55.50000112.5I244 S263 I267 Y268 H269 L274 L286 E290 L293 F294I244-T265 WeakPolarHBondContact CD1-OG1 3.42Å; S263-T265 VanDerWaalsContact C-N 3.3Å; S263-T265 PolarHBondContact O-N 3.18Å; S263-T265 PolarHBondContact OG-N 3.03Å; T265-I267 VanDerWaalsContact C-N 3.29Å; T265-I267 PolarHBondContact O-N 3.33Å; T265-Y268 PolarHBondContact O-N 2.78Å; T265-H269 PolarHBondContact O-N 2.96Å; T265-L274 HydrophobicContact CG2-CD2 3.51Å; T265-L286 WeakPolarHBondContact OG1-CD2 3.48Å; T265-E290 VanDerWaalsContact CB-OE1 3.22Å; T265-E290 WeakPolarHBondContact CB-OE1 3.45Å; T265-E290 PolarHBondContact N-OE1 3.27Å; T265-E290 WeakPolarHBondContact OG1-CB 3.34Å; T265-E290 VanDerWaalsContact OG1-CD 3.26Å; T265-E290 WeakPolarHBondContact OG1-CG 3.31Å; T265-E290 PolarHBondContact OG1-OE1 2.91Å; T265-L293 HydrophobicContact CG2-CB 4.43Å; T265-L293 HydrophobicContact CG2-CD2 3.83Å; T265-L293 HydrophobicContact CG2-CG 4.29Å; T265-F294 HydrophobicContact CG2-CD2 3.93Å; T265-F294 HydrophobicContact CG2-CE2 3.68Å
266D98.1Very high97.1Very high15 Ų1553.8 Ų53.88%0.0828%0.28CS..Hα-helixtrans-61.5-34179.4178.350.1000112.9S261 E262 S263 Y264 Y268 H269 K270S261-D266 VanDerWaalsContact CA-OD2 3.31Å; S261-D266 WeakPolarHBondContact CA-OD2 3.45Å; E262-D266 HydrophobicContact CB-CB 4.34Å; E262-D266 PolarHBondContact N-OD2 2.7Å; S263-D266 PolarHBondContact O-N 2.85Å; S263-D266 PolarHBondContact OG-N 3.29Å; S263-D266 VanDerWaalsContact OG-N 3.13Å; Y264-D266 VanDerWaalsContact C-N 3.3Å; Y264-D266 PolarHBondContact O-N 2.81Å; D266-Y268 PolarHBondContact O-N 2.63Å; D266-H269 PolarHBondContact O-N 3.36Å; D266-K270 WeakPolarHBondContact O-CB 3.48Å; D266-K270 WeakPolarHBondContact O-CG 3.43Å; D266-K270 PolarHBondContact O-N 2.87Å; D266-K270 VanDerWaalsContact OD1-CE 3.23Å; D266-K270 WeakPolarHBondContact OD1-CE 3.24Å; D266-K270 IonicContact OD1-NZ 3.85Å; D266-K270 WeakPolarHBondContact OD2-CD 3.29Å; D266-K270 WeakPolarHBondContact OD2-CE 3.49Å; D266-K270 IonicContact OD2-NZ 3.73Å; D266-K270 PolarHBondContact OD2-NZ 3.15Å
267I98.2Very high97.3Very high4 Ų449.7 Ų49.72%0.02126%0.26CS..Hα-helixtrans-57.5-52.3174.9-59.6163.9000110.5A218 L226 V254 F258 S261 S263 Y264 T265 H269 C271A218-I267 HydrophobicContact CB-CD1 4.36Å; A218-I267 HydrophobicContact CB-CG2 4.39Å; L226-I267 HydrophobicContact CD1-CG2 3.79Å; V254-I267 HydrophobicContact CG1-CD1 3.28Å; F258-I267 HydrophobicContact CB-CD1 3.64Å; F258-I267 HydrophobicContact CB-CG1 3.98Å; F258-I267 HydrophobicContact CD1-CD1 4.31Å; F258-I267 HydrophobicContact CD1-CG1 4.4Å; F258-I267 HydrophobicContact CD1-CG2 4.09Å; F258-I267 HydrophobicContact CD2-CD1 3.74Å; F258-I267 HydrophobicContact CE1-CG2 4.13Å; F258-I267 HydrophobicContact CE2-CD1 4.47Å; F258-I267 HydrophobicContact CG-CD1 3.65Å; F258-I267 HydrophobicContact CG-CG1 4.12Å; F258-I267 HydrophobicContact CG-CG2 4.47Å; S261-I267 VanDerWaalsContact CB-CG1 3.47Å; S261-I267 VanDerWaalsContact OG-CG1 3.31Å; S261-I267 WeakPolarHBondContact OG-CG1 3.49Å; S263-I267 PolarHBondContact O-N 3.45Å; Y264-I267 HydrophobicContact CD2-CD1 4.25Å; Y264-I267 WeakPolarHBondContact O-CB 3.4Å; Y264-I267 PolarHBondContact O-N 3.14Å; T265-I267 VanDerWaalsContact C-N 3.29Å; T265-I267 PolarHBondContact O-N 3.33Å; I267-H269 VanDerWaalsContact C-N 3.35Å; I267-C271 WeakPolarHBondContact O-CB 3.27Å; I267-C271 PolarHBondContact O-N 2.83Å; I267-C271 PolarHBondContact O-SG 3.47Å
268Y98.6Very high97.5Very high0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-67.8-37.4-179.4-66.4-64.8000111.6F217 A218 L226 S242 H243 I244 Y264 T265 D266 C271 N272 L273 L274 M280F217-Y268 WeakPolarHBondContact CA-OH 3.48Å; A218-Y268 PolarHBondContact N-OH 3.23Å; L226-Y268 HydrophobicContact CD2-CE1 4.43Å; S242-Y268 PolarHBondContact OG-OH 2.96Å; H243-Y268 PolarHBondContact O-OH 2.86Å; I244-Y268 HydrophobicContact CB-CE2 4.38Å; I244-Y268 HydrophobicContact CD1-CD2 3.88Å; I244-Y268 HydrophobicContact CD1-CE2 4.02Å; I244-Y268 HydrophobicContact CG1-CD2 4.41Å; I244-Y268 HydrophobicContact CG1-CE2 4.06Å; Y264-Y268 HydrophobicContact CD2-CD2 4.21Å; Y264-Y268 AromaticContact CD2-CE2 3.66Å; Y264-Y268 HydrophobicContact CD2-CE2 3.66Å; Y264-Y268 HydrophobicContact CE2-CD2 4.34Å; Y264-Y268 AromaticContact CE2-CE2 3.38Å; Y264-Y268 HydrophobicContact CE2-CE2 3.38Å; Y264-Y268 AromaticContact CE2-CZ 3.81Å; T265-Y268 PolarHBondContact O-N 2.78Å; D266-Y268 PolarHBondContact O-N 2.63Å; Y268-C271 PolarHBondContact O-N 3.11Å; Y268-N272 PolarHBondContact O-N 2.96Å; Y268-L273 HydrophobicContact CD1-CB 4.05Å; Y268-L273 HydrophobicContact CD1-CD1 4.03Å; Y268-L273 WeakPolarHBondContact O-CA 3.46Å; Y268-L273 WeakPolarHBondContact O-CB 3.11Å; Y268-L273 PolarHBondContact O-N 2.82Å; Y268-L274 PolarHBondContact O-N 2.84Å; Y268-M280 HydrophobicContact CD1-CE 3.73Å; Y268-M280 HydrophobicContact CD2-CE 3.45Å; Y268-M280 VanDerWaalsContact CD2-CE 3.45Å; Y268-M280 HydrophobicContact CE1-CE 4.12Å; Y268-M280 HydrophobicContact CE2-CE 3.83Å; Y268-M280 HydrophobicContact CE2-SD 4.44Å; Y268-M280 HydrophobicContact CG-CE 3.37Å
269H98.2Very high97.6Very high77 Ų7747 Ų4736%0.35625%0.247SC..Hα-helixtrans-63-51177.3-178.5-117.5000112.1T265 D266 I267 C271 N272 L274 L293T265-H269 PolarHBondContact O-N 2.96Å; D266-H269 PolarHBondContact O-N 3.36Å; I267-H269 VanDerWaalsContact C-N 3.35Å; H269-C271 PolarHBondContact O-N 2.93Å; H269-N272 PolarHBondContact O-N 3.03Å; H269-L274 HydrophobicContact CB-CB 4.27Å; H269-L274 HydrophobicContact CB-CD2 4.18Å; H269-L293 HydrophobicContact CB-CD2 3.95Å
270K97.3Very high97.8Very high102 Ų10242.4 Ų42.444%0.44322%0.217SC..Hα-helixtrans-56.9-33.2176-76.5171.5171.8163.90112.7N260 D266 N272N260-K270 PolarHBondContact O-NZ 3.3Å; D266-K270 WeakPolarHBondContact O-CB 3.48Å; D266-K270 WeakPolarHBondContact O-CG 3.43Å; D266-K270 PolarHBondContact O-N 2.87Å; D266-K270 VanDerWaalsContact OD1-CE 3.23Å; D266-K270 WeakPolarHBondContact OD1-CE 3.24Å; D266-K270 IonicContact OD1-NZ 3.85Å; D266-K270 WeakPolarHBondContact OD2-CD 3.29Å; D266-K270 WeakPolarHBondContact OD2-CE 3.49Å; D266-K270 IonicContact OD2-NZ 3.73Å; D266-K270 PolarHBondContact OD2-NZ 3.15Å; K270-N272 VanDerWaalsContact C-N 3.33Å; K270-N272 PolarHBondContact O-N 2.89Å
271C97.6Very high98Very high4 Ų435.9 Ų35.93%0.02718%0.182CC..THydrogen-bonded Turntrans-85.26.2179.3-65.20000114.6L226 G230 I267 Y268 H269 L273L226-C271 HydrophobicContact CB-CB 4.03Å; G230-C271 WeakPolarHBondContact CA-O 3.33Å; I267-C271 WeakPolarHBondContact O-CB 3.27Å; I267-C271 PolarHBondContact O-N 2.83Å; I267-C271 PolarHBondContact O-SG 3.47Å; Y268-C271 PolarHBondContact O-N 3.11Å; H269-C271 PolarHBondContact O-N 2.93Å; C271-L273 HydrophobicContact CB-CD1 4.04Å; C271-L273 HydrophobicContact CB-CG 4.25Å; C271-L273 PolarHBondContact O-N 3.09Å
272N97.8Very high98.1Very high77 Ų7734.6 Ų34.641%0.41217%0.173SC..THydrogen-bonded Turntrans58.629.5-172.6-54.7-86.1000114Y268 H269 K270Y268-N272 PolarHBondContact O-N 2.96Å; H269-N272 PolarHBondContact O-N 3.03Å; K270-N272 VanDerWaalsContact C-N 3.33Å; K270-N272 PolarHBondContact O-N 2.89Å
273L98.6Very high98.3Very high0 Ų026.1 Ų26.10%013%0.134CC..  trans-100.4-4177.5-71.6170.1000113.2P215 L226 L229 I240 Y268 C271 T278P215-L273 HydrophobicContact CG-CD1 4.27Å; L226-L273 HydrophobicContact CB-CD1 3.88Å; L226-L273 HydrophobicContact CD2-CD1 3.69Å; L226-L273 HydrophobicContact CG-CD1 4.36Å; L226-L273 WeakPolarHBondContact O-CD1 3.42Å; L229-L273 HydrophobicContact CB-CD2 4.26Å; I240-L273 HydrophobicContact CD1-CD2 4.18Å; I240-L273 HydrophobicContact CG1-CD2 4.18Å; I240-L273 HydrophobicContact CG2-CB 4.46Å; I240-L273 HydrophobicContact CG2-CD2 3.9Å; Y268-L273 HydrophobicContact CD1-CB 4.05Å; Y268-L273 HydrophobicContact CD1-CD1 4.03Å; Y268-L273 WeakPolarHBondContact O-CA 3.46Å; Y268-L273 WeakPolarHBondContact O-CB 3.11Å; Y268-L273 PolarHBondContact O-N 2.82Å; C271-L273 HydrophobicContact CB-CD1 4.04Å; C271-L273 HydrophobicContact CB-CG 4.25Å; C271-L273 PolarHBondContact O-N 3.09Å; L273-T278 WeakPolarHBondContact O-CG2 3.5Å; L273-T278 PolarHBondContact O-OG1 2.77Å
274L98.3Very high98.3Very high9 Ų925 Ų255%0.04713%0.126CC..  trans-107.7100.6173.1-16173.2000109.9T265 Y268 H269 T278 M280 L293 F294 T297 A299T265-L274 HydrophobicContact CG2-CD2 3.51Å; Y268-L274 PolarHBondContact O-N 2.84Å; H269-L274 HydrophobicContact CB-CB 4.27Å; H269-L274 HydrophobicContact CB-CD2 4.18Å; L274-T278 HydrophobicContact CD1-CG2 4.23Å; L274-M280 HydrophobicContact CD1-CE 4.23Å; L274-L293 HydrophobicContact CD2-CD2 4.14Å; L274-L293 HydrophobicContact CD2-CG 3.82Å; L274-F294 HydrophobicContact CD1-CD1 4.44Å; L274-F294 HydrophobicContact CD1-CE1 4.1Å; L274-F294 HydrophobicContact CD1-CE2 4.27Å; L274-F294 HydrophobicContact CD1-CZ 4.02Å; L274-T297 HydrophobicContact CD2-CG2 4.02Å; L274-T297 HydrophobicContact CG-CG2 4.21Å; L274-A299 HydrophobicContact CD1-CB 3.55Å; L274-A299 HydrophobicContact CG-CB 3.88Å
275T98.4Very high98.3Very high38 Ų3827.5 Ų27.523%0.23314%0.138CC..SBendtrans-138.3174.3-17071.20000111.2I240 K277 T278 T297 A299I240-T275 HydrophobicContact CD1-CG2 3.97Å; T275-K277 PolarHBondContact O-N 3.02Å; T275-K277 PolarHBondContact OG1-N 3.49Å; T275-T278 PolarHBondContact N-OG1 3.38Å; T275-T278 WeakPolarHBondContact O-CB 3.36Å; T275-T278 PolarHBondContact O-N 3.49Å; T275-T278 PolarHBondContact OG1-N 3.23Å; T275-T278 PolarHBondContact OG1-OG1 3.11Å; T275-T297 CarbonylContact C-O 3.22Å; T275-A299 VanDerWaalsContact O-CA 3.24Å; T275-A299 WeakPolarHBondContact O-CA 3.37Å; T275-A299 WeakPolarHBondContact O-CB 3.49Å; T275-A299 PolarHBondContact O-N 3.35Å
276D98.1Very high98.3Very high97 Ų9728.6 Ų28.652%0.51914%0.144SC..THydrogen-bonded Turntrans-65.2-5.6175.169.9-34.7000114.3T297 K327 S384D276-T297 WeakPolarHBondContact CA-O 3.35Å; D276-T297 PolarHBondContact N-O 3.42Å; D276-T297 VanDerWaalsContact N-O 3.09Å; D276-K327 PolarHBondContact O-NZ 3.12Å; D276-S384 PolarHBondContact O-OG 3.13Å
277K98.4Very high98.3Very high64 Ų6430 Ų3028%0.27815%0.154SC..THydrogen-bonded Turntrans-122.219.8174.9-63-170.3179.1-170.60113.2K237 H239 I240 T275K237-K277 PolarHBondContact O-NZ 3.45Å; H239-K277 VanDerWaalsContact CA-O 3.3Å; H239-K277 WeakPolarHBondContact CA-O 3.29Å; H239-K277 HydrophobicContact CB-CB 4.45Å; I240-K277 PolarHBondContact N-O 2.85Å; T275-K277 PolarHBondContact O-N 3.02Å; T275-K277 PolarHBondContact OG1-N 3.49Å
278T98.9Very high98.3Very high2 Ų233.4 Ų33.41%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-94.8130.5175.5-62.20000110.4I240 L273 L274 T275 M280 A299 A300I240-T278 HydrophobicContact CB-CG2 4.39Å; I240-T278 HydrophobicContact CG2-CG2 4.25Å; I240-T278 CarbonylContact O-C 3.59Å; I240-T278 WeakPolarHBondContact O-CA 3.11Å; L273-T278 WeakPolarHBondContact O-CG2 3.5Å; L273-T278 PolarHBondContact O-OG1 2.77Å; L274-T278 HydrophobicContact CD1-CG2 4.23Å; T275-T278 PolarHBondContact N-OG1 3.38Å; T275-T278 WeakPolarHBondContact O-CB 3.36Å; T275-T278 PolarHBondContact O-N 3.49Å; T275-T278 PolarHBondContact OG1-N 3.23Å; T275-T278 PolarHBondContact OG1-OG1 3.11Å; T278-M280 HydrophobicContact CG2-CE 3.69Å; T278-M280 HydrophobicContact CG2-CG 3.96Å; T278-M280 HydrophobicContact CG2-SD 3.97Å; T278-A299 HydrophobicContact CG2-CB 4.48Å; T278-A300 PolarHBondContact O-N 2.87Å
279I98.8Very high98.3Very high7 Ų740.1 Ų40.14%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-116123.6168.9-176.171.4000109.4I240 Q241 S242 A300 L301 A382 L383I240-I279 PolarHBondContact O-N 3.01Å; Q241-I279 VanDerWaalsContact CA-O 3.26Å; Q241-I279 WeakPolarHBondContact CA-O 3.19Å; Q241-I279 HydrophobicContact CB-CG2 3.58Å; S242-I279 PolarHBondContact N-O 3.42Å; I279-A300 WeakPolarHBondContact CA-O 3.5Å; I279-A300 HydrophobicContact CD1-CB 3.64Å; I279-L301 VanDerWaalsContact CD1-C 3.42Å; I279-L301 WeakPolarHBondContact CD1-O 3.34Å; I279-A382 HydrophobicContact CD1-CB 3.84Å; I279-L383 HydrophobicContact CB-CD2 4.32Å; I279-L383 HydrophobicContact CG1-CD2 4.29Å; I279-L383 HydrophobicContact CG2-CD2 4.13Å
280M98.9Very high98.3Very high0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-111.7126.4177.5-61.7-61.7-161.400110.5S242 I244 Y268 L274 T278 F294 A300 L301 S302S242-M280 VanDerWaalsContact CB-SD 3.53Å; S242-M280 WeakPolarHBondContact O-CA 3.31Å; I244-M280 HydrophobicContact CB-CB 4.1Å; I244-M280 HydrophobicContact CB-CG 4.45Å; I244-M280 HydrophobicContact CG2-CB 3.53Å; I244-M280 HydrophobicContact CG2-CG 4.25Å; Y268-M280 HydrophobicContact CD1-CE 3.73Å; Y268-M280 HydrophobicContact CD2-CE 3.45Å; Y268-M280 VanDerWaalsContact CD2-CE 3.45Å; Y268-M280 HydrophobicContact CE1-CE 4.12Å; Y268-M280 HydrophobicContact CE2-CE 3.83Å; Y268-M280 HydrophobicContact CE2-SD 4.44Å; Y268-M280 HydrophobicContact CG-CE 3.37Å; L274-M280 HydrophobicContact CD1-CE 4.23Å; T278-M280 HydrophobicContact CG2-CE 3.69Å; T278-M280 HydrophobicContact CG2-CG 3.96Å; T278-M280 HydrophobicContact CG2-SD 3.97Å; M280-F294 HydrophobicContact CB-CE1 3.96Å; M280-F294 HydrophobicContact CB-CZ 3.92Å; M280-F294 HydrophobicContact CG-CE1 3.84Å; M280-F294 HydrophobicContact CG-CZ 3.73Å; M280-A300 PolarHBondContact N-O 2.96Å; M280-L301 HydrophobicContact CB-CD2 4.13Å; M280-L301 CarbonylContact O-C 3.52Å; M280-L301 VanDerWaalsContact O-CA 3.32Å; M280-L301 WeakPolarHBondContact O-CA 3.33Å; M280-S302 PolarHBondContact O-N 3.12Å
281A98.9Very high98.4Very high1 Ų132.6 Ų32.61%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-74.5147.1178.100000111.9H84 S242 I244 G283H84-A281 HydrophobicContact CB-CB 4.41Å; S242-A281 PolarHBondContact O-N 2.65Å; I244-A281 PolarHBondContact N-O 3.24Å; I244-A281 VanDerWaalsContact N-O 3.13Å; A281-G283 PolarHBondContact O-N 3.16Å
282H98.6Very high98.4Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans75.1-89.9175.3-41.8-78000114.6H243 E246 C284 S302 N308 D333H243-H282 AromaticContact CD2-CD2 3.78Å; H243-H282 AromaticContact CD2-NE2 3.35Å; H243-H282 PolarHBondContact CD2-NE2 2.94Å; H243-H282 VanDerWaalsContact CD2-NE2 3.35Å; E246-H282 HydrophobicContact CB-CB 3.84Å; E246-H282 HydrophobicContact CG-CB 3.86Å; E246-H282 VanDerWaalsContact CG-CG 3.49Å; E246-H282 IonicContact OE1-CE1 3.92Å; E246-H282 IonicContact OE2-CD2 3.34Å; E246-H282 IonicContact OE2-CE1 2.62Å; E246-H282 IonicContact OE2-NE2 3.83Å; H282-C284 VanDerWaalsContact C-N 3.3Å; H282-C284 PolarHBondContact O-N 3.41Å; H282-S302 PolarHBondContact N-O 3.34Å; H282-N308 PolarHBondContact ND1-OD1 2.86Å; H282-D333 IonicContact CE1-OD2 3.79Å; H282-D333 PolarHBondContact CE1-OD2 3.18Å; H282-D333 VanDerWaalsContact CE1-OD2 3.25Å; H282-D333 IonicContact NE2-OD2 3.64Å
283G98.3Very high98.5Very high2 Ų233 Ų332%0.02118%0.175CC..  trans67.723.6-174.800000114.9I244 A281 H285 L286 L316I244-G283 WeakPolarHBondContact O-CA 2.93Å; I244-G283 PolarHBondContact O-N 3.4Å; A281-G283 PolarHBondContact O-N 3.16Å; G283-H285 PolarHBondContact O-N 3.03Å; G283-L286 PolarHBondContact O-N 3.43Å; G283-L316 WeakPolarHBondContact O-CD1 3.49Å
284C98.1Very high98.5Very high18 Ų1833 Ų3312%0.12218%0.175CC..THydrogen-bonded Turntrans-55.2-36.4-175.9-64.30000113.4S245 E246 H282 N308S245-C284 PolarHBondContact O-N 2.84Å; E246-C284 WeakPolarHBondContact O-CB 3.4Å; E246-C284 PolarHBondContact O-SG 2.94Å; H282-C284 VanDerWaalsContact C-N 3.3Å; H282-C284 PolarHBondContact O-N 3.41Å; C284-N308 VanDerWaalsContact SG-CG 3.54Å; C284-N308 PolarHBondContact SG-ND2 3.15Å
285H98.1Very high98.5Very high60 Ų6039.3 Ų39.328%0.27820%0.198SC..THydrogen-bonded Turntrans-116.627.7-172.2-54.5-76.6000112.7S245 E246 V251 G283 S313S245-H285 PolarHBondContact O-CD2 3.14Å; S245-H285 PolarHBondContact O-N 3.44Å; E246-H285 PolarHBondContact O-CD2 3.12Å; E246-H285 VanDerWaalsContact O-CD2 3.25Å; E246-H285 PolarHBondContact O-NE2 3.36Å; V251-H285 HydrophobicContact CG2-CB 4.32Å; G283-H285 PolarHBondContact O-N 3.03Å; H285-S313 PolarHBondContact NE2-O 2.94Å
286L98.3Very high98.5Very high24 Ų2444.5 Ų44.513%0.12622%0.219CC..  trans-71.9138.4173.7-69171.6000111.1I244 T265 G283 E290 L291 F294 L301I244-L286 HydrophobicContact CD1-CD2 4.08Å; I244-L286 HydrophobicContact CG1-CD2 4.21Å; I244-L286 HydrophobicContact CG2-CD1 4.32Å; I244-L286 HydrophobicContact CG2-CD2 4.33Å; T265-L286 WeakPolarHBondContact OG1-CD2 3.48Å; G283-L286 PolarHBondContact O-N 3.43Å; L286-E290 WeakPolarHBondContact CA-OE2 3.18Å; L286-E290 HydrophobicContact CB-CB 4.4Å; L286-E290 HydrophobicContact CD2-CB 4.02Å; L286-E290 HydrophobicContact CD2-CG 4.5Å; L286-L291 HydrophobicContact CB-CD2 4.4Å; L286-L291 HydrophobicContact CB-CG 4.5Å; L286-L291 HydrophobicContact CD1-CD2 4.16Å; L286-F294 HydrophobicContact CD1-CE2 4Å; L286-F294 HydrophobicContact CD1-CZ 4.29Å; L286-F294 HydrophobicContact CD2-CE2 4.23Å; L286-L301 HydrophobicContact CD1-CD1 3.89Å; L286-L301 HydrophobicContact CD1-CD2 3.74Å; L286-L301 HydrophobicContact CD1-CG 4.43Å
287S98.4Very high98.5Very high43 Ų4341.2 Ų41.230%0.30120%0.203SC..  trans-78.5166.1170.789.50000112.3E289 E290 L291S287-E289 VanDerWaalsContact C-N 3.28Å; S287-E289 VanDerWaalsContact CB-OE2 3.3Å; S287-E289 WeakPolarHBondContact CB-OE2 3.26Å; S287-E289 PolarHBondContact O-N 3.23Å; S287-E289 PolarHBondContact OG-N 2.93Å; S287-E289 PolarHBondContact OG-OE2 3.31Å; S287-E290 PolarHBondContact N-OE2 2.88Å; S287-E290 PolarHBondContact O-N 2.91Å; S287-E290 PolarHBondContact OG-N 3.38Å; S287-L291 WeakPolarHBondContact O-CG 3.38Å; S287-L291 PolarHBondContact O-N 2.9Å
288D98.4Very high98.5Very high77 Ų7739.1 Ų39.141%0.41220%0.199SC..Hα-helixtrans-62.1-37.3174.9-76.1-7.7000111.5E290 L291 V292 N320 H324D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.45Å; D288-L291 PolarHBondContact O-N 2.99Å; D288-V292 WeakPolarHBondContact O-CG2 3.45Å; D288-V292 PolarHBondContact O-N 2.88Å; D288-N320 PolarHBondContact OD1-ND2 3.38Å; D288-H324 IonicContact OD1-CE1 3.98Å; D288-H324 PolarHBondContact OD1-CE1 3.26Å; D288-H324 IonicContact OD1-NE2 2.66Å
289E98.3Very high98.5Very high141 Ų14139 Ų3966%0.65920%0.199SC*.Hα-helixtrans-63.4-39.4175.3-59.275-162.200111.8S287 V292 L293S287-E289 VanDerWaalsContact C-N 3.28Å; S287-E289 VanDerWaalsContact CB-OE2 3.3Å; S287-E289 WeakPolarHBondContact CB-OE2 3.26Å; S287-E289 PolarHBondContact O-N 3.23Å; S287-E289 PolarHBondContact OG-N 2.93Å; S287-E289 PolarHBondContact OG-OE2 3.31Å; E289-V292 WeakPolarHBondContact O-CB 3.34Å; E289-V292 PolarHBondContact O-N 3.49Å; E289-L293 PolarHBondContact O-N 3.12Å
290E98.6Very high98.5Very high16 Ų1638.7 Ų38.78%0.07520%0.197CC..Hα-helixtrans-65-42.4173.6-67.5-175.2105.500111S263 T265 L286 S287 D288 V292 L293 F294S263-E290 WeakPolarHBondContact CB-OE1 3.48Å; S263-E290 PolarHBondContact OG-OE1 3.45Å; T265-E290 VanDerWaalsContact CB-OE1 3.22Å; T265-E290 WeakPolarHBondContact CB-OE1 3.45Å; T265-E290 PolarHBondContact N-OE1 3.27Å; T265-E290 WeakPolarHBondContact OG1-CB 3.34Å; T265-E290 VanDerWaalsContact OG1-CD 3.26Å; T265-E290 WeakPolarHBondContact OG1-CG 3.31Å; T265-E290 PolarHBondContact OG1-OE1 2.91Å; L286-E290 WeakPolarHBondContact CA-OE2 3.18Å; L286-E290 HydrophobicContact CB-CB 4.4Å; L286-E290 HydrophobicContact CD2-CB 4.02Å; L286-E290 HydrophobicContact CD2-CG 4.5Å; S287-E290 PolarHBondContact N-OE2 2.88Å; S287-E290 PolarHBondContact O-N 2.91Å; S287-E290 PolarHBondContact OG-N 3.38Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.45Å; E290-V292 VanDerWaalsContact C-N 3.3Å; E290-V292 PolarHBondContact O-N 2.98Å; E290-L293 WeakPolarHBondContact O-CB 3.28Å; E290-L293 PolarHBondContact O-N 3.46Å; E290-F294 WeakPolarHBondContact O-CD2 3.49Å; E290-F294 PolarHBondContact O-N 3Å
291L98.8Very high98.5Very high4 Ų438.7 Ų38.72%0.02120%0.197CC..Hα-helixtrans-62.4-35.1175.7-68.3176.4000112.8L286 S287 D288 L293 F294 R295 L301 N320 V321 H324 V326L286-L291 HydrophobicContact CB-CD2 4.4Å; L286-L291 HydrophobicContact CB-CG 4.5Å; L286-L291 HydrophobicContact CD1-CD2 4.16Å; S287-L291 WeakPolarHBondContact O-CG 3.38Å; S287-L291 PolarHBondContact O-N 2.9Å; D288-L291 PolarHBondContact O-N 2.99Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-F294 PolarHBondContact O-N 2.76Å; L291-R295 PolarHBondContact O-N 3.3Å; L291-L301 HydrophobicContact CD2-CD1 4.08Å; L291-N320 WeakPolarHBondContact CD1-ND2 3.49Å; L291-V321 HydrophobicContact CD1-CG2 4.44Å; L291-V321 HydrophobicContact CD2-CG2 4.04Å; L291-H324 HydrophobicContact CB-CB 4.06Å; L291-V326 HydrophobicContact CB-CG2 4.33Å; L291-V326 HydrophobicContact CD2-CG2 4.25Å; L291-V326 VanDerWaalsContact O-CG2 3.27Å; L291-V326 WeakPolarHBondContact O-CG2 3.5Å
292V98.6Very high98.5Very high59 Ų5938.7 Ų38.736%0.35820%0.197SC..Hα-helixtrans-59.2-45.7171.3170.40000110.4D288 E289 E290 F294 R295 E296D288-V292 WeakPolarHBondContact O-CG2 3.45Å; D288-V292 PolarHBondContact O-N 2.88Å; E289-V292 WeakPolarHBondContact O-CB 3.34Å; E289-V292 PolarHBondContact O-N 3.49Å; E290-V292 VanDerWaalsContact C-N 3.3Å; E290-V292 PolarHBondContact O-N 2.98Å; V292-F294 PolarHBondContact O-N 3.32Å; V292-R295 WeakPolarHBondContact O-CB 3.23Å; V292-R295 PolarHBondContact O-N 3.25Å; V292-R295 VanDerWaalsContact O-N 3.17Å; V292-E296 HydrophobicContact CG1-CG 4.35Å; V292-E296 WeakPolarHBondContact O-CG 3.39Å; V292-E296 PolarHBondContact O-N 2.96Å
293L98.3Very high98.5Very high31 Ų3138.7 Ų38.716%0.16220%0.197CC..Hα-helixtrans-66.1-37.2179.1-172.857000112.6T265 H269 L274 E289 E290 L291 R295 E296 T297T265-L293 HydrophobicContact CG2-CB 4.43Å; T265-L293 HydrophobicContact CG2-CD2 3.83Å; T265-L293 HydrophobicContact CG2-CG 4.29Å; H269-L293 HydrophobicContact CB-CD2 3.95Å; L274-L293 HydrophobicContact CD2-CD2 4.14Å; L274-L293 HydrophobicContact CD2-CG 3.82Å; E289-L293 PolarHBondContact O-N 3.12Å; E290-L293 WeakPolarHBondContact O-CB 3.28Å; E290-L293 PolarHBondContact O-N 3.46Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.4Å; L293-E296 PolarHBondContact O-N 3.27Å; L293-T297 HydrophobicContact CD1-CG2 4.05Å; L293-T297 HydrophobicContact CG-CG2 4.48Å; L293-T297 WeakPolarHBondContact O-CB 3.38Å; L293-T297 WeakPolarHBondContact O-CG2 3.24Å; L293-T297 PolarHBondContact O-N 3.27Å; L293-T297 PolarHBondContact O-OG1 3.5Å
294F98.8Very high98.6Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-58.1-45.3170.7-92.3-100.2000111.8I244 T265 L274 M280 L286 E290 L291 V292 T297 G298 A299 L301 V326I244-F294 HydrophobicContact CD1-CE2 4.07Å; I244-F294 HydrophobicContact CD1-CZ 4.02Å; I244-F294 HydrophobicContact CG2-CZ 4.23Å; T265-F294 HydrophobicContact CG2-CD2 3.93Å; T265-F294 HydrophobicContact CG2-CE2 3.68Å; L274-F294 HydrophobicContact CD1-CD1 4.44Å; L274-F294 HydrophobicContact CD1-CE1 4.1Å; L274-F294 HydrophobicContact CD1-CE2 4.27Å; L274-F294 HydrophobicContact CD1-CZ 4.02Å; M280-F294 HydrophobicContact CB-CE1 3.96Å; M280-F294 HydrophobicContact CB-CZ 3.92Å; M280-F294 HydrophobicContact CG-CE1 3.84Å; M280-F294 HydrophobicContact CG-CZ 3.73Å; L286-F294 HydrophobicContact CD1-CE2 4Å; L286-F294 HydrophobicContact CD1-CZ 4.29Å; L286-F294 HydrophobicContact CD2-CE2 4.23Å; E290-F294 WeakPolarHBondContact O-CD2 3.49Å; E290-F294 PolarHBondContact O-N 3Å; L291-F294 PolarHBondContact O-N 2.76Å; V292-F294 PolarHBondContact O-N 3.32Å; F294-T297 PolarHBondContact O-OG1 3.36Å; F294-G298 PolarHBondContact O-N 2.75Å; F294-A299 HydrophobicContact CD1-CB 3.71Å; F294-A299 HydrophobicContact CE1-CB 4.13Å; F294-A299 HydrophobicContact CG-CB 4.4Å; F294-A299 PolarHBondContact O-N 3.27Å; F294-L301 HydrophobicContact CD1-CD2 4.23Å; F294-L301 HydrophobicContact CD1-CG 4.22Å; F294-L301 HydrophobicContact CE1-CD2 3.55Å; F294-L301 HydrophobicContact CE1-CG 4.01Å; F294-L301 HydrophobicContact CZ-CD2 3.78Å; F294-V326 HydrophobicContact CB-CG1 3.93Å; F294-V326 HydrophobicContact CB-CG2 3.82Å; F294-V326 HydrophobicContact CD1-CG1 4.23Å; F294-V326 HydrophobicContact CG-CG1 4.41Å
295R98.5Very high98.6Very high142 Ų14237.8 Ų37.854%0.53619%0.191SC..Hα-helixtrans-63.2-46177.3179.8-160.1168.6-180-11.2111.6L291 V292 L293 G298 H324 V326L291-R295 PolarHBondContact O-N 3.3Å; V292-R295 WeakPolarHBondContact O-CB 3.23Å; V292-R295 PolarHBondContact O-N 3.25Å; V292-R295 VanDerWaalsContact O-N 3.17Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.4Å; R295-G298 PolarHBondContact O-N 3Å; R295-H324 VanDerWaalsContact CD-O 3.28Å; R295-H324 WeakPolarHBondContact CD-O 3.37Å; R295-V326 HydrophobicContact CB-CG2 4.21Å
296E98.4Very high98.6Very high146 Ų14635.1 Ų35.168%0.68218%0.178SC*.Hα-helixtrans-65.7-40.5-177.1-73.4-178.2167.300112.7V292 L293 G298V292-E296 HydrophobicContact CG1-CG 4.35Å; V292-E296 WeakPolarHBondContact O-CG 3.39Å; V292-E296 PolarHBondContact O-N 2.96Å; L293-E296 PolarHBondContact O-N 3.27Å; E296-G298 VanDerWaalsContact C-N 3.31Å
297T98.4Very high98.6Very high29 Ų2934 Ų3418%0.17817%0.172CC..Hα-helixtrans-78.1-17.5176.8560000113.1L274 T275 D276 L293 F294 A299L274-T297 HydrophobicContact CD2-CG2 4.02Å; L274-T297 HydrophobicContact CG-CG2 4.21Å; T275-T297 CarbonylContact C-O 3.22Å; D276-T297 WeakPolarHBondContact CA-O 3.35Å; D276-T297 PolarHBondContact N-O 3.42Å; D276-T297 VanDerWaalsContact N-O 3.09Å; L293-T297 HydrophobicContact CD1-CG2 4.05Å; L293-T297 HydrophobicContact CG-CG2 4.48Å; L293-T297 WeakPolarHBondContact O-CB 3.38Å; L293-T297 WeakPolarHBondContact O-CG2 3.24Å; L293-T297 PolarHBondContact O-N 3.27Å; L293-T297 PolarHBondContact O-OG1 3.5Å; F294-T297 PolarHBondContact O-OG1 3.36Å; T297-A299 VanDerWaalsContact C-N 3.27Å
298G98.5Very high98.5Very high19 Ų1932 Ų3220%0.19616%0.159CC..THydrogen-bonded Turntrans75.814.2-17500000113.9F294 R295 E296 K327F294-G298 PolarHBondContact O-N 2.75Å; R295-G298 PolarHBondContact O-N 3Å; E296-G298 VanDerWaalsContact C-N 3.31Å; G298-K327 WeakPolarHBondContact O-CD 3.34Å; G298-K327 WeakPolarHBondContact O-CE 3.45Å; G298-K327 PolarHBondContact O-NZ 3.12Å
299A98.8Very high98.4Very high0 Ų032.2 Ų32.20%016%0.158CC..  trans-66.8160.2174.100000111.4L274 T275 T278 F294 T297L274-A299 HydrophobicContact CD1-CB 3.55Å; L274-A299 HydrophobicContact CG-CB 3.88Å; T275-A299 VanDerWaalsContact O-CA 3.24Å; T275-A299 WeakPolarHBondContact O-CA 3.37Å; T275-A299 WeakPolarHBondContact O-CB 3.49Å; T275-A299 PolarHBondContact O-N 3.35Å; T278-A299 HydrophobicContact CG2-CB 4.48Å; F294-A299 HydrophobicContact CD1-CB 3.71Å; F294-A299 HydrophobicContact CE1-CB 4.13Å; F294-A299 HydrophobicContact CG-CB 4.4Å; F294-A299 PolarHBondContact O-N 3.27Å; T297-A299 VanDerWaalsContact C-N 3.27Å
300A98.9Very high98.2Very high1 Ų126.6 Ų26.61%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-124159-174.500000112.2T278 I279 M280 K327 A382T278-A300 PolarHBondContact O-N 2.87Å; I279-A300 WeakPolarHBondContact CA-O 3.5Å; I279-A300 HydrophobicContact CD1-CB 3.64Å; M280-A300 PolarHBondContact N-O 2.96Å; A300-K327 CarbonylContact C-O 3.44Å; A300-K327 VanDerWaalsContact CA-O 3.3Å; A300-K327 WeakPolarHBondContact CA-O 3.36Å; A300-K327 HydrophobicContact CB-CB 3.63Å; A300-K327 HydrophobicContact CB-CD 4.41Å; A300-A382 HydrophobicContact CB-CB 3.77Å; A300-A382 WeakPolarHBondContact CB-O 3.46Å
301L98.9Very high97.9Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-108.3145.4170.7-69.3174.5000111.4I244 I279 M280 L286 L291 F294 V321 V326 K327 L328 G329I244-L301 HydrophobicContact CG2-CD2 4.26Å; I279-L301 VanDerWaalsContact CD1-C 3.42Å; I279-L301 WeakPolarHBondContact CD1-O 3.34Å; M280-L301 HydrophobicContact CB-CD2 4.13Å; M280-L301 CarbonylContact O-C 3.52Å; M280-L301 VanDerWaalsContact O-CA 3.32Å; M280-L301 WeakPolarHBondContact O-CA 3.33Å; L286-L301 HydrophobicContact CD1-CD1 3.89Å; L286-L301 HydrophobicContact CD1-CD2 3.74Å; L286-L301 HydrophobicContact CD1-CG 4.43Å; L291-L301 HydrophobicContact CD2-CD1 4.08Å; F294-L301 HydrophobicContact CD1-CD2 4.23Å; F294-L301 HydrophobicContact CD1-CG 4.22Å; F294-L301 HydrophobicContact CE1-CD2 3.55Å; F294-L301 HydrophobicContact CE1-CG 4.01Å; F294-L301 HydrophobicContact CZ-CD2 3.78Å; L301-V321 HydrophobicContact CD1-CG1 3.96Å; L301-V321 HydrophobicContact CD1-CG2 3.95Å; L301-V326 HydrophobicContact CD1-CG1 4.25Å; L301-V326 HydrophobicContact CG-CG1 4.22Å; L301-K327 PolarHBondContact N-O 3.28Å; L301-L328 HydrophobicContact CB-CD1 3.57Å; L301-L328 WeakPolarHBondContact O-CA 3.44Å; L301-G329 PolarHBondContact O-N 3.46Å
302S98.9Very high97.7Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-106.4105.5166.1-176.90000109.3T83 H84 M280 H282 C304 G331T83-S302 VanDerWaalsContact OG1-CB 3.28Å; T83-S302 WeakPolarHBondContact OG1-CB 3.46Å; T83-S302 PolarHBondContact OG1-OG 3.07Å; H84-S302 WeakPolarHBondContact CB-OG 3.28Å; M280-S302 PolarHBondContact O-N 3.12Å; H282-S302 PolarHBondContact N-O 3.34Å; S302-C304 PolarHBondContact O-N 2.84Å; S302-C304 PolarHBondContact O-SG 3.1Å; S302-C304 VanDerWaalsContact O-SG 3.41Å; S302-G331 WeakPolarHBondContact OG-CA 3.38Å; S302-G331 PolarHBondContact OG-N 2.84Å
303H98.9Very high97.4Very high1 Ų129.2 Ų29.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-74.9115.7176-178.135.1000109.9P305 L316 L328 G329 L330 G331 S352H303-P305 WeakPolarHBondContact O-CD 3.35Å; H303-L316 HydrophobicContact CB-CD2 3.77Å; H303-L316 WeakPolarHBondContact ND1-CD2 3.5Å; H303-L328 HydrophobicContact CB-CD1 4.04Å; H303-G329 PolarHBondContact N-O 2.81Å; H303-L330 HydrophobicContact CB-CD2 4.15Å; H303-L330 WeakPolarHBondContact O-CA 3.44Å; H303-G331 PolarHBondContact O-N 2.89Å; H303-S352 PolarHBondContact NE2-OG 2.96Å
304C98.9Very high97.3Very high0 Ų028.8 Ų28.80%016%0.159CC..  trans-111.664.4-177.6-59.10000111.5S302 N306 S307 N308 D333S302-C304 PolarHBondContact O-N 2.84Å; S302-C304 PolarHBondContact O-SG 3.1Å; S302-C304 VanDerWaalsContact O-SG 3.41Å; C304-N306 VanDerWaalsContact C-N 3.34Å; C304-N306 PolarHBondContact O-N 2.92Å; C304-S307 PolarHBondContact O-N 2.9Å; C304-N308 PolarHBondContact O-N 3.23Å; C304-N308 PolarHBondContact O-OD1 3.45Å; C304-N308 VanDerWaalsContact O-OD1 3.05Å; C304-D333 HydrophobicContact CB-CB 3.72Å
305P98.7Very high97.2Very high1 Ų130.9 Ų30.91%0.00617%0.172CC..Hα-helixtrans-62.8-35.2-166.623.9-34.6000114.3H303 I309 A345 R348 A349H303-P305 WeakPolarHBondContact O-CD 3.35Å; P305-I309 WeakPolarHBondContact O-CG1 3.43Å; P305-I309 PolarHBondContact O-N 2.76Å; P305-I309 VanDerWaalsContact O-N 3.15Å; P305-A345 WeakPolarHBondContact CG-O 3.1Å; P305-R348 HydrophobicContact CB-CB 3.68Å; P305-R348 HydrophobicContact CG-CB 3.71Å; P305-A349 HydrophobicContact CG-CB 4.12Å
306N98.4Very high97.2Very high4 Ų424.4 Ų24.42%0.02115%0.148CC..Hα-helixtrans-62.1-49.6177.6-175.6-54000110.6C304 I309 S310 G337 Y338 D344 R348C304-N306 VanDerWaalsContact C-N 3.34Å; C304-N306 PolarHBondContact O-N 2.92Å; N306-I309 PolarHBondContact O-N 3.06Å; N306-S310 VanDerWaalsContact O-CB 3.24Å; N306-S310 WeakPolarHBondContact O-CB 3.11Å; N306-S310 PolarHBondContact O-N 3.23Å; N306-S310 PolarHBondContact O-OG 3.47Å; N306-S310 PolarHBondContact OD1-OG 3.43Å; N306-S310 VanDerWaalsContact OD1-OG 3.1Å; N306-G337 WeakPolarHBondContact OD1-CA 3.33Å; N306-Y338 VanDerWaalsContact ND2-CE1 3.3Å; N306-Y338 WeakPolarHBondContact ND2-CE1 3.25Å; N306-Y338 VanDerWaalsContact ND2-CE2 3.31Å; N306-Y338 WeakPolarHBondContact ND2-CE2 3.31Å; N306-Y338 WeakPolarHBondContact OD1-CD1 3.01Å; N306-Y338 WeakPolarHBondContact OD1-CE1 3.45Å; N306-Y338 PolarHBondContact OD1-N 2.8Å; N306-Y338 VanDerWaalsContact OD1-N 3.13Å; N306-D344 PolarHBondContact ND2-OD2 3.4Å; N306-R348 HydrophobicContact CB-CB 4.47Å; N306-R348 HydrophobicContact CB-CG 4.04Å
307S97.6Very high97.2Very high0 Ų020.4 Ų20.40%013%0.131CC..Hα-helixtrans-62.6-48.5178.4-174.70000111.9C304 I309 S310 L311 D333 G336 G337C304-S307 PolarHBondContact O-N 2.9Å; S307-I309 PolarHBondContact O-N 2.79Å; S307-I309 VanDerWaalsContact O-N 3.16Å; S307-S310 PolarHBondContact O-N 3.48Å; S307-L311 PolarHBondContact O-N 2.91Å; S307-D333 WeakPolarHBondContact CB-OD2 3.33Å; S307-D333 PolarHBondContact OG-OD2 2.55Å; S307-G336 VanDerWaalsContact OG-C 3.31Å; S307-G336 WeakPolarHBondContact OG-CA 3.09Å; S307-G337 VanDerWaalsContact CB-N 3.32Å
308N97.5Very high97.2Very high2 Ų219 Ų191%0.01112%0.123CC..Hα-helixtrans-55.4-39.7-178.8-65.30.9000112.5H282 C284 C304 S313 G314H282-N308 PolarHBondContact ND1-OD1 2.86Å; C284-N308 VanDerWaalsContact SG-CG 3.54Å; C284-N308 PolarHBondContact SG-ND2 3.15Å; C304-N308 PolarHBondContact O-N 3.23Å; C304-N308 PolarHBondContact O-OD1 3.45Å; C304-N308 VanDerWaalsContact O-OD1 3.05Å; N308-S313 PolarHBondContact O-N 3.46Å; N308-G314 WeakPolarHBondContact CB-O 3.31Å; N308-G314 PolarHBondContact O-N 3.27Å
309I95.6Very high97.2Very high80 Ų8019.3 Ų19.341%0.4112%0.118SC..Hα-helixtrans-75.9-46.7176.1-66.5169.1000110.6P305 N306 S307 L311 C312P305-I309 WeakPolarHBondContact O-CG1 3.43Å; P305-I309 PolarHBondContact O-N 2.76Å; P305-I309 VanDerWaalsContact O-N 3.15Å; N306-I309 PolarHBondContact O-N 3.06Å; S307-I309 PolarHBondContact O-N 2.79Å; S307-I309 VanDerWaalsContact O-N 3.16Å; I309-L311 VanDerWaalsContact C-N 3.31Å; I309-L311 PolarHBondContact O-N 3.22Å; I309-C312 PolarHBondContact O-N 3.02Å
310S95.1Very high97.2Very high23 Ų2321 Ų2116%0.16113%0.127CC..Hα-helixtrans-60.8-39.7-175.2-63.90000112.5L97 N306 S307 G336 Y338L97-S310 VanDerWaalsContact O-O 3.11Å; N306-S310 VanDerWaalsContact O-CB 3.24Å; N306-S310 WeakPolarHBondContact O-CB 3.11Å; N306-S310 PolarHBondContact O-N 3.23Å; N306-S310 PolarHBondContact O-OG 3.47Å; N306-S310 PolarHBondContact OD1-OG 3.43Å; N306-S310 VanDerWaalsContact OD1-OG 3.1Å; S307-S310 PolarHBondContact O-N 3.48Å; S310-G336 WeakPolarHBondContact CB-O 3.48Å; S310-Y338 WeakPolarHBondContact OG-CD1 3.34Å; S310-Y338 WeakPolarHBondContact OG-CE1 3.03Å
311L92.4Very high97.2Very high9 Ų921 Ų215%0.04713%0.127CC..THydrogen-bonded Turntrans-94.37.7-179.4-59.9-177.2000113.6L97 L101 W104 S307 I309 S313L97-L311 HydrophobicContact CD2-CD2 3.97Å; L101-L311 HydrophobicContact CD1-CD1 3.69Å; W104-L311 HydrophobicContact CG-CD2 4.48Å; S307-L311 PolarHBondContact O-N 2.91Å; I309-L311 VanDerWaalsContact C-N 3.31Å; I309-L311 PolarHBondContact O-N 3.22Å; L311-S313 PolarHBondContact O-N 3.5Å
312C92.9Very high97.2Very high118 Ų11822.7 Ų22.780%0.79714%0.136SC*.THydrogen-bonded Turntrans54.431.8-175.8-60.30000113.6I309I309-C312 PolarHBondContact O-N 3.02Å
313S93.3Very high97.1Very high7 Ų728 Ų285%0.04916%0.164CC..  trans-71.5-42.1-174.9-56.10000112.4E246 H285 N308 L311E246-S313 WeakPolarHBondContact O-CB 3.11Å; E246-S313 PolarHBondContact OE1-OG 3.25Å; H285-S313 PolarHBondContact NE2-O 2.94Å; N308-S313 PolarHBondContact O-N 3.46Å; L311-S313 PolarHBondContact O-N 3.5Å
314G95.1Very high97.1Very high22 Ų2229.6 Ų29.623%0.22717%0.171CC..  trans154.1-171.8-178.600000113.1N308N308-G314 WeakPolarHBondContact CB-O 3.31Å; N308-G314 PolarHBondContact O-N 3.27Å
315V97.7Very high97.1Very high45 Ų4536.8 Ų36.827%0.27320%0.202SC..  trans-125.5113.8176.7-176.30000109N317 V355 L356V315-N317 PolarHBondContact O-N 3.3Å; V315-V355 HydrophobicContact CG2-CG1 4.46Å; V315-L356 HydrophobicContact CB-CD2 4.24Å; V315-L356 HydrophobicContact CG1-CD1 3.96Å; V315-L356 HydrophobicContact CG1-CD2 3.86Å; V315-L356 HydrophobicContact CG1-CG 3.71Å
316L98.6Very high97.1Very high6 Ų637 Ų373%0.03120%0.204CC..  trans-65.3125176.1178.267.9000110.1G283 H303 V318 V321 L328G283-L316 WeakPolarHBondContact O-CD1 3.49Å; H303-L316 HydrophobicContact CB-CD2 3.77Å; H303-L316 WeakPolarHBondContact ND1-CD2 3.5Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CD2-CG2 4.02Å; L316-V318 HydrophobicContact CG-CG2 4.18Å; L316-V318 PolarHBondContact O-N 3.09Å; L316-V321 HydrophobicContact CD1-CG2 3.98Å; L316-V321 HydrophobicContact CG-CG2 4.38Å; L316-L328 HydrophobicContact CD2-CD1 4.23Å
317N98.4Very high97.1Very high61 Ų6140 Ų4033%0.32622%0.217SC..  trans-75.579.9171.8-172.7-29.7000110.8V315 R319 N320 V321 L356 Y363V315-N317 PolarHBondContact O-N 3.3Å; N317-R319 VanDerWaalsContact C-N 3.29Å; N317-R319 PolarHBondContact O-N 3.35Å; N317-N320 HydrophobicContact CB-CB 4.05Å; N317-N320 VanDerWaalsContact CG-CB 3.41Å; N317-N320 WeakPolarHBondContact O-CB 3.3Å; N317-N320 PolarHBondContact O-N 3.05Å; N317-N320 VanDerWaalsContact O-N 3.14Å; N317-N320 WeakPolarHBondContact OD1-CB 3.35Å; N317-N320 PolarHBondContact OD1-N 2.87Å; N317-V321 WeakPolarHBondContact O-CG2 3.33Å; N317-V321 PolarHBondContact O-N 3.32Å; N317-V321 VanDerWaalsContact O-N 3.13Å; N317-L356 HydrophobicContact CB-CD1 4.28Å; N317-Y363 VanDerWaalsContact OD1-CE2 3.27Å; N317-Y363 WeakPolarHBondContact OD1-CE2 3.3Å
318V98.6Very high97.2Very high1 Ų140.3 Ų40.31%0.00622%0.218CC..Hα-helixtrans-59.7-38.1-177.8173.60000112.1L316 N320 V321 L322 L328 L366 L374L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CD2-CG2 4.02Å; L316-V318 HydrophobicContact CG-CG2 4.18Å; L316-V318 PolarHBondContact O-N 3.09Å; V318-N320 VanDerWaalsContact C-N 3.28Å; V318-N320 PolarHBondContact O-N 3.31Å; V318-V321 PolarHBondContact O-N 3.09Å; V318-L322 HydrophobicContact CG1-CD1 4Å; V318-L322 HydrophobicContact CG1-CG 4.16Å; V318-L322 WeakPolarHBondContact O-CG 3.49Å; V318-L322 PolarHBondContact O-N 3.01Å; V318-L328 HydrophobicContact CB-CD2 4.33Å; V318-L328 HydrophobicContact CG1-CD2 3.48Å; V318-L328 VanDerWaalsContact CG1-CD2 3.48Å; V318-L328 HydrophobicContact CG2-CD2 4.24Å; V318-L366 HydrophobicContact CB-CD1 3.86Å; V318-L366 HydrophobicContact CB-CD2 4.4Å; V318-L366 HydrophobicContact CG1-CD1 3.6Å; V318-L366 HydrophobicContact CG1-CD2 3.84Å; V318-L366 HydrophobicContact CG1-CG 4.3Å; V318-L366 HydrophobicContact CG2-CD1 4.3Å; V318-L374 HydrophobicContact CG1-CD1 4.14Å
319R98.3Very high97.2Very high24 Ų2440.2 Ų40.29%0.09122%0.218CC..Hα-helixtrans-60.5-41.4177.6-179.158.263.9-1640.7111.1N317 L322 N323 Y363 K364 T365 E370N317-R319 VanDerWaalsContact C-N 3.29Å; N317-R319 PolarHBondContact O-N 3.35Å; R319-L322 PolarHBondContact O-N 3.41Å; R319-N323 WeakPolarHBondContact O-CB 3.45Å; R319-N323 PolarHBondContact O-N 2.88Å; R319-N323 PolarHBondContact O-ND2 2.95Å; R319-N323 PolarHBondContact O-OD1 3.13Å; R319-Y363 HydrophobicContact CB-CD2 4.4Å; R319-Y363 HydrophobicContact CB-CE1 4.5Å; R319-Y363 HydrophobicContact CB-CE2 3.47Å; R319-Y363 VanDerWaalsContact CB-CE2 3.47Å; R319-Y363 WeakPolarHBondContact CB-OH 3.45Å; R319-Y363 HydrophobicContact CG-CE2 4.36Å; R319-Y363 PolarHBondContact N-OH 2.96Å; R319-Y363 VanDerWaalsContact N-OH 3.16Å; R319-K364 HydrophobicContact CG-CB 4.45Å; R319-K364 PolarHBondContact NE-O 3.24Å; R319-K364 VanDerWaalsContact NE-O 3.07Å; R319-K364 PolarHBondContact NH2-O 2.72Å; R319-T365 PolarHBondContact NH2-O 3.02Å; R319-E370 IonicContact CZ-OE1 3.03Å; R319-E370 IonicContact CZ-OE2 3.02Å; R319-E370 IonicContact NH1-OE1 3.95Å; R319-E370 PolarHBondContact NH1-OE1 3.38Å; R319-E370 IonicContact NH1-OE2 3.38Å; R319-E370 VanDerWaalsContact NH2-CD 3.32Å; R319-E370 IonicContact NH2-OE1 3.4Å; R319-E370 PolarHBondContact NH2-OE1 3.41Å; R319-E370 IonicContact NH2-OE2 2.76Å; R319-E370 PolarHBondContact NH2-OE2 2.76Å
320N98.4Very high97.4Very high36 Ų3636.4 Ų36.419%0.19320%0.198CC..Hα-helixtrans-64.8-44177.4-168.435.5000111.9D288 L291 N317 V318 L322 N323 H324D288-N320 PolarHBondContact OD1-ND2 3.38Å; L291-N320 WeakPolarHBondContact CD1-ND2 3.49Å; N317-N320 HydrophobicContact CB-CB 4.05Å; N317-N320 VanDerWaalsContact CG-CB 3.41Å; N317-N320 WeakPolarHBondContact O-CB 3.3Å; N317-N320 PolarHBondContact O-N 3.05Å; N317-N320 VanDerWaalsContact O-N 3.14Å; N317-N320 WeakPolarHBondContact OD1-CB 3.35Å; N317-N320 PolarHBondContact OD1-N 2.87Å; V318-N320 VanDerWaalsContact C-N 3.28Å; V318-N320 PolarHBondContact O-N 3.31Å; N320-L322 VanDerWaalsContact C-N 3.33Å; N320-L322 PolarHBondContact O-N 2.88Å; N320-N323 PolarHBondContact O-N 3.3Å; N320-H324 PolarHBondContact O-N 2.7Å; N320-H324 PolarHBondContact O-ND1 3.35Å; N320-H324 PolarHBondContact OD1-CE1 3.36Å; N320-H324 PolarHBondContact OD1-ND1 3.22Å; N320-H324 VanDerWaalsContact OD1-ND1 3.09Å
321V98.8Very high97.6Very high2 Ų235.3 Ų35.31%0.01219%0.191CC..Hα-helixtrans-56.8-46.3174.7176.30000111.3L291 L301 L316 N317 V318 H324 K325 V326 L328L291-V321 HydrophobicContact CD1-CG2 4.44Å; L291-V321 HydrophobicContact CD2-CG2 4.04Å; L301-V321 HydrophobicContact CD1-CG1 3.96Å; L301-V321 HydrophobicContact CD1-CG2 3.95Å; L316-V321 HydrophobicContact CD1-CG2 3.98Å; L316-V321 HydrophobicContact CG-CG2 4.38Å; N317-V321 WeakPolarHBondContact O-CG2 3.33Å; N317-V321 PolarHBondContact O-N 3.32Å; N317-V321 VanDerWaalsContact O-N 3.13Å; V318-V321 PolarHBondContact O-N 3.09Å; V321-H324 PolarHBondContact O-N 3.17Å; V321-K325 PolarHBondContact O-N 3.37Å; V321-V326 HydrophobicContact CG1-CB 3.77Å; V321-V326 HydrophobicContact CG1-CG1 4.01Å; V321-V326 PolarHBondContact O-N 3.44Å; V321-L328 HydrophobicContact CG1-CB 4.34Å; V321-L328 HydrophobicContact CG1-CD1 4.25Å; V321-L328 HydrophobicContact CG1-CD2 4.19Å
322L98.3Very high97.9Very high35 Ų3535 Ų3518%0.18319%0.189CC..Hα-helixtrans-66-38.7178.1-67.4178.3000112.3V318 R319 N320 H324 K325 L328 L366 L374V318-L322 HydrophobicContact CG1-CD1 4Å; V318-L322 HydrophobicContact CG1-CG 4.16Å; V318-L322 WeakPolarHBondContact O-CG 3.49Å; V318-L322 PolarHBondContact O-N 3.01Å; R319-L322 PolarHBondContact O-N 3.41Å; N320-L322 VanDerWaalsContact C-N 3.33Å; N320-L322 PolarHBondContact O-N 2.88Å; L322-H324 VanDerWaalsContact C-N 3.29Å; L322-H324 PolarHBondContact O-N 3.05Å; L322-K325 WeakPolarHBondContact O-CA 3.43Å; L322-K325 PolarHBondContact O-N 3.38Å; L322-L328 HydrophobicContact CD2-CD2 4.41Å; L322-L366 HydrophobicContact CD1-CD2 4.18Å; L322-L374 HydrophobicContact CD2-CD2 4.44Å
323N98.3Very high98.2Very high110 Ų11029.7 Ų29.759%0.58815%0.153SC*.Hα-helixtrans-64.2-35.7175.7-70.9-13.5000111.9R319 N320 K325R319-N323 WeakPolarHBondContact O-CB 3.45Å; R319-N323 PolarHBondContact O-N 2.88Å; R319-N323 PolarHBondContact O-ND2 2.95Å; R319-N323 PolarHBondContact O-OD1 3.13Å; N320-N323 PolarHBondContact O-N 3.3Å; N323-K325 PolarHBondContact O-N 2.62Å
324H98.7Very high98.4Very high36 Ų3629.3 Ų29.317%0.16715%0.15CC..THydrogen-bonded Turntrans-74.1-4.2172-75.886.1000113.6D288 L291 R295 N320 V321 L322 V326D288-H324 IonicContact OD1-CE1 3.98Å; D288-H324 PolarHBondContact OD1-CE1 3.26Å; D288-H324 IonicContact OD1-NE2 2.66Å; L291-H324 HydrophobicContact CB-CB 4.06Å; R295-H324 VanDerWaalsContact CD-O 3.28Å; R295-H324 WeakPolarHBondContact CD-O 3.37Å; N320-H324 PolarHBondContact O-N 2.7Å; N320-H324 PolarHBondContact O-ND1 3.35Å; N320-H324 PolarHBondContact OD1-CE1 3.36Å; N320-H324 PolarHBondContact OD1-ND1 3.22Å; N320-H324 VanDerWaalsContact OD1-ND1 3.09Å; V321-H324 PolarHBondContact O-N 3.17Å; L322-H324 VanDerWaalsContact C-N 3.29Å; L322-H324 PolarHBondContact O-N 3.05Å; H324-V326 HydrophobicContact CB-CG2 4.12Å; H324-V326 PolarHBondContact O-N 2.6Å
325K98.3Very high98.4Very high150 Ų15028.3 Ų28.365%0.65214%0.14SC*.THydrogen-bonded Turntrans59.731.5-179.3-50.9-180179.8-178.30113.2V321 L322 N323V321-K325 PolarHBondContact O-N 3.37Å; L322-K325 WeakPolarHBondContact O-CA 3.43Å; L322-K325 PolarHBondContact O-N 3.38Å; N323-K325 PolarHBondContact O-N 2.62Å
326V98.8Very high98.3Very high6 Ų626.2 Ų26.24%0.03613%0.127CC..  trans-78.8137.5172.2173.70000108.9L291 F294 R295 L301 V321 H324L291-V326 HydrophobicContact CB-CG2 4.33Å; L291-V326 HydrophobicContact CD2-CG2 4.25Å; L291-V326 VanDerWaalsContact O-CG2 3.27Å; L291-V326 WeakPolarHBondContact O-CG2 3.5Å; F294-V326 HydrophobicContact CB-CG1 3.93Å; F294-V326 HydrophobicContact CB-CG2 3.82Å; F294-V326 HydrophobicContact CD1-CG1 4.23Å; F294-V326 HydrophobicContact CG-CG1 4.41Å; R295-V326 HydrophobicContact CB-CG2 4.21Å; L301-V326 HydrophobicContact CD1-CG1 4.25Å; L301-V326 HydrophobicContact CG-CG1 4.22Å; V321-V326 HydrophobicContact CG1-CB 3.77Å; V321-V326 HydrophobicContact CG1-CG1 4.01Å; V321-V326 PolarHBondContact O-N 3.44Å; H324-V326 HydrophobicContact CB-CG2 4.12Å; H324-V326 PolarHBondContact O-N 2.6Å
327K98.8Very high98.2Very high67 Ų6725.9 Ų25.929%0.29113%0.125SC..EExtended strand (participates in β ladder)trans-64.7135.7176.4-65.4170.7-176.8169.90109.4D276 G298 A300 L301D276-K327 PolarHBondContact O-NZ 3.12Å; G298-K327 WeakPolarHBondContact O-CD 3.34Å; G298-K327 WeakPolarHBondContact O-CE 3.45Å; G298-K327 PolarHBondContact O-NZ 3.12Å; A300-K327 CarbonylContact C-O 3.44Å; A300-K327 VanDerWaalsContact CA-O 3.3Å; A300-K327 WeakPolarHBondContact CA-O 3.36Å; A300-K327 HydrophobicContact CB-CB 3.63Å; A300-K327 HydrophobicContact CB-CD 4.41Å; L301-K327 PolarHBondContact N-O 3.28Å
328L98.8Very high98.2Very high6 Ų626.9 Ų26.93%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-142.6131.2-173.8-173.968.5000111.3L301 H303 L316 V318 V321 L322 L374 G378L301-L328 HydrophobicContact CB-CD1 3.57Å; L301-L328 WeakPolarHBondContact O-CA 3.44Å; H303-L328 HydrophobicContact CB-CD1 4.04Å; L316-L328 HydrophobicContact CD2-CD1 4.23Å; V318-L328 HydrophobicContact CB-CD2 4.33Å; V318-L328 HydrophobicContact CG1-CD2 3.48Å; V318-L328 VanDerWaalsContact CG1-CD2 3.48Å; V318-L328 HydrophobicContact CG2-CD2 4.24Å; V321-L328 HydrophobicContact CG1-CB 4.34Å; V321-L328 HydrophobicContact CG1-CD1 4.25Å; V321-L328 HydrophobicContact CG1-CD2 4.19Å; L322-L328 HydrophobicContact CD2-CD2 4.41Å; L328-L374 HydrophobicContact CB-CD2 4.02Å; L328-L374 HydrophobicContact CD2-CD1 4.05Å; L328-L374 HydrophobicContact CD2-CD2 4Å; L328-L374 HydrophobicContact CG-CD2 4.05Å; L328-L374 WeakPolarHBondContact O-CD2 3.32Å; L328-G378 CarbonylContact O-C 3.58Å; L328-G378 WeakPolarHBondContact O-CA 3.45Å
329G98.9Very high98.2Very high0 Ų027.8 Ų27.80%013%0.132CC..EExtended strand (participates in β ladder)trans-125179.3168.700000112.1L301 H303L301-G329 PolarHBondContact O-N 3.46Å; H303-G329 PolarHBondContact N-O 2.81Å
330L98.9Very high98.2Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-102.5143.2173.4-57.4-176.5000110.8T83 H303 I342 A345 V346 A349 V371 L374 A375T83-L330 PolarHBondContact N-O 3.25Å; T83-L330 PolarHBondContact OG1-O 2.87Å; H303-L330 HydrophobicContact CB-CD2 4.15Å; H303-L330 WeakPolarHBondContact O-CA 3.44Å; L330-I342 HydrophobicContact CB-CD1 4.43Å; L330-A345 HydrophobicContact CB-CB 4.26Å; L330-A345 HydrophobicContact CD1-CB 4.4Å; L330-V346 HydrophobicContact CD1-CG2 3.81Å; L330-A349 HydrophobicContact CD2-CB 4.09Å; L330-V371 HydrophobicContact CD1-CG1 3.99Å; L330-L374 HydrophobicContact CD1-CB 4.4Å; L330-L374 HydrophobicContact CD2-CB 4.02Å; L330-L374 HydrophobicContact CD2-CD1 4.28Å; L330-L374 HydrophobicContact CG-CB 3.89Å; L330-A375 HydrophobicContact CD1-CB 3.93Å
331G98.9Very high98.2Very high0 Ų026.5 Ų26.50%013%0.128CC..  trans-123.6145.3173.200000110.6D82 S302 H303D82-G331 WeakPolarHBondContact OD1-CA 3.24Å; S302-G331 WeakPolarHBondContact OG-CA 3.38Å; S302-G331 PolarHBondContact OG-N 2.84Å; H303-G331 PolarHBondContact O-N 2.89Å
332T98.9Very high98.2Very high2 Ų226.4 Ų26.41%0.01213%0.128CC..  trans-80.5-30.9172.257.20000112D82 H84 V334 S339 I342D82-T332 PolarHBondContact OD1-N 3.04Å; D82-T332 VanDerWaalsContact OD1-N 3.07Å; D82-T332 WeakPolarHBondContact OD2-CB 3.49Å; D82-T332 WeakPolarHBondContact OD2-CG2 3.46Å; D82-T332 PolarHBondContact OD2-OG1 3.27Å; H84-T332 PolarHBondContact O-N 3.29Å; H84-T332 VanDerWaalsContact O-N 3.17Å; T332-V334 PolarHBondContact O-N 2.72Å; T332-S339 WeakPolarHBondContact CB-O 3.39Å; T332-I342 HydrophobicContact CG2-CD1 3.81Å; T332-I342 HydrophobicContact CG2-CG1 4.23Å
333D98.6Very high98.2Very high7 Ų724.7 Ų24.74%0.03712%0.119CC..  trans48.343.9-174.5-171.732.5000113.2H84 H86 H282 C304 S307 A335 G336 G337H84-D333 IonicContact CD2-OD1 2.79Å; H84-D333 PolarHBondContact CD2-OD1 3.27Å; H84-D333 VanDerWaalsContact CD2-OD1 3.3Å; H84-D333 IonicContact NE2-OD1 3.95Å; H84-D333 PolarHBondContact NE2-OD1 3.43Å; H84-D333 VanDerWaalsContact NE2-OD1 3.09Å; H84-D333 PolarHBondContact O-N 2.92Å; H86-D333 IonicContact CD2-OD1 3.36Å; H86-D333 PolarHBondContact CD2-OD1 3.29Å; H86-D333 IonicContact NE2-OD1 2.91Å; H86-D333 PolarHBondContact NE2-OD1 3.1Å; H282-D333 IonicContact CE1-OD2 3.79Å; H282-D333 PolarHBondContact CE1-OD2 3.18Å; H282-D333 VanDerWaalsContact CE1-OD2 3.25Å; H282-D333 IonicContact NE2-OD2 3.64Å; C304-D333 HydrophobicContact CB-CB 3.72Å; S307-D333 WeakPolarHBondContact CB-OD2 3.33Å; S307-D333 PolarHBondContact OG-OD2 2.55Å; D333-A335 CarbonylContact O-C 3.55Å; D333-A335 PolarHBondContact O-N 2.94Å; D333-G336 PolarHBondContact O-N 2.85Å; D333-G337 PolarHBondContact O-N 3.02Å
334V98.3Very high98.2Very high0 Ų020.3 Ų20.30%010%0.096CC..THydrogen-bonded Turntrans-57129171.8176.10000108.5I85 H86 Q89 Y90 T93 T332 G337 P340I85-V334 HydrophobicContact CD1-CB 4.1Å; I85-V334 HydrophobicContact CD1-CG2 3.94Å; I85-V334 HydrophobicContact CG1-CB 3.98Å; I85-V334 HydrophobicContact CG1-CG2 4.3Å; H86-V334 WeakPolarHBondContact CA-O 3.21Å; H86-V334 WeakPolarHBondContact CB-O 3.3Å; H86-V334 PolarHBondContact N-O 2.89Å; Q89-V334 PolarHBondContact OE1-O 3.25Å; Y90-V334 HydrophobicContact CD2-CG1 4.2Å; T93-V334 HydrophobicContact CG2-CG1 3.99Å; T93-V334 WeakPolarHBondContact OG1-CG1 3.27Å; T332-V334 PolarHBondContact O-N 2.72Å; V334-G337 WeakPolarHBondContact CA-O 3.38Å; V334-P340 HydrophobicContact CG2-CB 4.15Å
335A95.6Very high98.2Very high1 Ų118.7 Ų18.71%0.0089%0.088CC..THydrogen-bonded Turncis-106.93.98.300000115.6Q89 Y92 W104 D333 G337Q89-A335 HydrophobicContact CB-CB 3.7Å; Q89-A335 WeakPolarHBondContact O-CB 3.25Å; Y92-A335 HydrophobicContact CD2-CB 4.16Å; Y92-A335 HydrophobicContact CE2-CB 3.69Å; W104-A335 HydrophobicContact CZ2-CB 4.13Å; D333-A335 CarbonylContact O-C 3.55Å; D333-A335 PolarHBondContact O-N 2.94Å; A335-G337 CarbonylContact C-O 3.58Å; A335-G337 WeakPolarHBondContact CA-O 3.47Å; A335-G337 PolarHBondContact O-N 2.9Å
336G95.3Very high98.3Very high0 Ų011.5 Ų11.50%06%0.057CC..THydrogen-bonded Turntrans-58.9-41.817000000110.2L97 S307 S310 D333L97-G336 WeakPolarHBondContact CD2-O 3.22Å; S307-G336 VanDerWaalsContact OG-C 3.31Å; S307-G336 WeakPolarHBondContact OG-CA 3.09Å; S310-G336 WeakPolarHBondContact CB-O 3.48Å; D333-G336 PolarHBondContact O-N 2.85Å
337G97.6Very high98.3Very high0 Ų014.2 Ų14.20%07%0.066CC..SBendtrans-84129.715900000111.8N306 S307 D333 V334 A335 S339N306-G337 WeakPolarHBondContact OD1-CA 3.33Å; S307-G337 VanDerWaalsContact CB-N 3.32Å; D333-G337 PolarHBondContact O-N 3.02Å; V334-G337 WeakPolarHBondContact CA-O 3.38Å; A335-G337 CarbonylContact C-O 3.58Å; A335-G337 WeakPolarHBondContact CA-O 3.47Å; A335-G337 PolarHBondContact O-N 2.9Å; G337-S339 VanDerWaalsContact C-N 3.31Å; G337-S339 PolarHBondContact O-N 3.44Å
338Y97.2Very high98.3Very high82 Ų8214.6 Ų14.632%0.3227%0.066SC..SBendtrans-79.9-7.6-177.953.1-96.6000114.8T93 L97 N306 S310 R348T93-Y338 WeakPolarHBondContact CG2-O 3.46Å; L97-Y338 HydrophobicContact CD1-CD1 3.56Å; L97-Y338 HydrophobicContact CD1-CG 4.14Å; N306-Y338 VanDerWaalsContact ND2-CE1 3.3Å; N306-Y338 WeakPolarHBondContact ND2-CE1 3.25Å; N306-Y338 VanDerWaalsContact ND2-CE2 3.31Å; N306-Y338 WeakPolarHBondContact ND2-CE2 3.31Å; N306-Y338 WeakPolarHBondContact OD1-CD1 3.01Å; N306-Y338 WeakPolarHBondContact OD1-CE1 3.45Å; N306-Y338 PolarHBondContact OD1-N 2.8Å; N306-Y338 VanDerWaalsContact OD1-N 3.13Å; S310-Y338 WeakPolarHBondContact OG-CD1 3.34Å; S310-Y338 WeakPolarHBondContact OG-CE1 3.03Å; Y338-R348 PolarHBondContact OH-NE 2.99Å; Y338-R348 PolarHBondContact OH-NH2 3.42Å
339S98.3Very high98.3Very high20 Ų2014.3 Ų14.314%0.146%0.064CC..  trans-110.5125.8-175.1-174.90000111.3T332 G337 S341 D344T332-S339 WeakPolarHBondContact CB-O 3.39Å; G337-S339 VanDerWaalsContact C-N 3.31Å; G337-S339 PolarHBondContact O-N 3.44Å; S339-S341 PolarHBondContact O-N 3.37Å; S339-S341 PolarHBondContact OG-N 3.44Å; S339-D344 WeakPolarHBondContact CB-OD2 3.46Å; S339-D344 WeakPolarHBondContact OG-CB 3.3Å
340P97.9Very high98.3Very high21 Ų2114.9 Ų14.914%0.1367%0.067CC..  trans-81.212.8172.836.8-38000112.9Y90 R132 T133 V334Y90-P340 HydrophobicContact CE2-CB 4.04Å; Y90-P340 HydrophobicContact CE2-CG 4.12Å; R132-P340 HydrophobicContact CG-CB 4.23Å; R132-P340 HydrophobicContact CG-CG 3.76Å; T133-P340 HydrophobicContact CG2-CB 4.39Å; V334-P340 HydrophobicContact CG2-CB 4.15Å
341S98.8Very high98.2Very high11 Ų1117.5 Ų17.58%0.0778%0.082CC..  trans-110.6127.4-173.4-174.80000111.5N136 S339 L343 D344 A345N136-S341 WeakPolarHBondContact OD1-CB 3.29Å; N136-S341 PolarHBondContact OD1-OG 3.01Å; S339-S341 PolarHBondContact O-N 3.37Å; S339-S341 PolarHBondContact OG-N 3.44Å; S341-L343 PolarHBondContact O-N 3.26Å; S341-L343 PolarHBondContact OG-N 3.42Å; S341-D344 WeakPolarHBondContact O-CB 3.35Å; S341-D344 PolarHBondContact O-N 3.49Å; S341-A345 PolarHBondContact O-N 2.96Å
342I98.9Very high98.2Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-66.4-23.2172.9-68.1-69.8000111.8M80 D82 L330 T332 D344 A345 V346 A375M80-I342 HydrophobicContact CB-CB 3.94Å; M80-I342 HydrophobicContact CB-CG1 4.35Å; M80-I342 HydrophobicContact CB-CG2 3.87Å; M80-I342 HydrophobicContact CG-CB 4.38Å; M80-I342 HydrophobicContact CG-CG2 4.06Å; M80-I342 HydrophobicContact SD-CB 3.83Å; M80-I342 HydrophobicContact SD-CG2 3.77Å; D82-I342 HydrophobicContact CB-CD1 3.77Å; D82-I342 HydrophobicContact CB-CG1 3.99Å; L330-I342 HydrophobicContact CB-CD1 4.43Å; T332-I342 HydrophobicContact CG2-CD1 3.81Å; T332-I342 HydrophobicContact CG2-CG1 4.23Å; I342-D344 PolarHBondContact O-N 3.09Å; I342-A345 HydrophobicContact CD1-CB 4.26Å; I342-A345 CarbonylContact O-C 3.54Å; I342-A345 WeakPolarHBondContact O-CB 3.39Å; I342-A345 PolarHBondContact O-N 3.19Å; I342-A345 VanDerWaalsContact O-N 3.15Å; I342-V346 HydrophobicContact CG2-CG2 4.39Å; I342-V346 WeakPolarHBondContact O-CG2 3.3Å; I342-V346 PolarHBondContact O-N 3.36Å; I342-A375 HydrophobicContact CG2-CB 3.75Å
343L98.8Very high98.2Very high0 Ų017.6 Ų17.60%08%0.082CC..Hα-helixtrans-60.9-36.8170.6-65.3174.8000111.7M80 S341 V346 R347 F427 L428M80-L343 HydrophobicContact CE-CD2 4.2Å; M80-L343 HydrophobicContact CE-CG 4Å; M80-L343 HydrophobicContact SD-CD2 3.85Å; M80-L343 HydrophobicContact SD-CG 4.03Å; S341-L343 PolarHBondContact O-N 3.26Å; S341-L343 PolarHBondContact OG-N 3.42Å; L343-V346 WeakPolarHBondContact O-CB 3.46Å; L343-V346 PolarHBondContact O-N 3.02Å; L343-R347 WeakPolarHBondContact O-CD 3.43Å; L343-R347 VanDerWaalsContact O-CG 3.29Å; L343-R347 WeakPolarHBondContact O-CG 3.5Å; L343-R347 PolarHBondContact O-N 3.06Å; L343-R347 VanDerWaalsContact O-N 3.15Å; L343-R347 PolarHBondContact O-NE 2.89Å; L343-F427 HydrophobicContact CD1-CE2 4.07Å; L343-F427 HydrophobicContact CD1-CZ 3.84Å; L343-F427 HydrophobicContact CD2-CD1 4.41Å; L343-F427 HydrophobicContact CD2-CE1 3.78Å; L343-F427 HydrophobicContact CD2-CZ 3.95Å; L343-F427 HydrophobicContact CG-CZ 4.48Å; L343-L428 HydrophobicContact CD2-CD2 3.91Å
344D98.9Very high98.2Very high18 Ų1822.1 Ų22.110%0.09610%0.102CC..Hα-helixtrans-69.6-43.2172.6-179.383000111.2N306 S339 S341 I342 V346 R347 R348N306-D344 PolarHBondContact ND2-OD2 3.4Å; S339-D344 WeakPolarHBondContact CB-OD2 3.46Å; S339-D344 WeakPolarHBondContact OG-CB 3.3Å; S341-D344 WeakPolarHBondContact O-CB 3.35Å; S341-D344 PolarHBondContact O-N 3.49Å; I342-D344 PolarHBondContact O-N 3.09Å; D344-V346 PolarHBondContact O-N 3.39Å; D344-R347 WeakPolarHBondContact O-CB 3.42Å; D344-R347 PolarHBondContact O-N 2.93Å; D344-R348 VanDerWaalsContact O-CG 3.31Å; D344-R348 WeakPolarHBondContact O-CG 3.49Å; D344-R348 PolarHBondContact O-N 2.9Å; D344-R348 IonicContact OD1-NE 3.25Å
345A98.9Very high98.2Very high1 Ų124.8 Ų24.81%0.00812%0.118CC..Hα-helixtrans-57.5-37.4174.400000112.5P305 L330 S341 I342 R348 A349P305-A345 WeakPolarHBondContact CG-O 3.1Å; L330-A345 HydrophobicContact CB-CB 4.26Å; L330-A345 HydrophobicContact CD1-CB 4.4Å; S341-A345 PolarHBondContact O-N 2.96Å; I342-A345 HydrophobicContact CD1-CB 4.26Å; I342-A345 CarbonylContact O-C 3.54Å; I342-A345 WeakPolarHBondContact O-CB 3.39Å; I342-A345 PolarHBondContact O-N 3.19Å; I342-A345 VanDerWaalsContact O-N 3.15Å; A345-R348 PolarHBondContact O-N 2.89Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.32Å; A345-A349 PolarHBondContact O-N 2.96Å
346V98.9Very high98.3Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-59.8-51172.2165.10000110.8L330 I342 L343 D344 R348 A349 L350 V371 A375 L428L330-V346 HydrophobicContact CD1-CG2 3.81Å; I342-V346 HydrophobicContact CG2-CG2 4.39Å; I342-V346 WeakPolarHBondContact O-CG2 3.3Å; I342-V346 PolarHBondContact O-N 3.36Å; L343-V346 WeakPolarHBondContact O-CB 3.46Å; L343-V346 PolarHBondContact O-N 3.02Å; D344-V346 PolarHBondContact O-N 3.39Å; V346-R348 VanDerWaalsContact C-N 3.33Å; V346-R348 PolarHBondContact O-N 3.05Å; V346-A349 PolarHBondContact O-N 3.21Å; V346-L350 HydrophobicContact CG1-CD1 4.48Å; V346-L350 PolarHBondContact O-N 3.5Å; V346-L350 VanDerWaalsContact O-N 3.09Å; V346-V371 HydrophobicContact CB-CG1 4Å; V346-V371 HydrophobicContact CG1-CG1 3.78Å; V346-V371 HydrophobicContact CG2-CG1 4.07Å; V346-A375 HydrophobicContact CG2-CB 3.64Å; V346-L428 HydrophobicContact CG1-CB 4.31Å; V346-L428 HydrophobicContact CG1-CD2 4.46Å
347R98.9Very high98.5Very high62 Ų6227.5 Ų27.523%0.23413%0.133CC..Hα-helixtrans-60.4-44.6179.2-66.2161.2-162.6175.3-0.7111.1L343 D344 A349 L350 D351 L428 N429 G431L343-R347 WeakPolarHBondContact O-CD 3.43Å; L343-R347 VanDerWaalsContact O-CG 3.29Å; L343-R347 WeakPolarHBondContact O-CG 3.5Å; L343-R347 PolarHBondContact O-N 3.06Å; L343-R347 VanDerWaalsContact O-N 3.15Å; L343-R347 PolarHBondContact O-NE 2.89Å; D344-R347 WeakPolarHBondContact O-CB 3.42Å; D344-R347 PolarHBondContact O-N 2.93Å; R347-A349 PolarHBondContact O-N 3.38Å; R347-L350 WeakPolarHBondContact O-CB 3.47Å; R347-L350 PolarHBondContact O-N 3.22Å; R347-D351 PolarHBondContact O-N 3.17Å; R347-L428 PolarHBondContact NE-O 2.93Å; R347-L428 PolarHBondContact NH2-O 3.36Å; R347-L428 VanDerWaalsContact NH2-O 3.07Å; R347-N429 VanDerWaalsContact CZ-O 3.27Å; R347-N429 PolarHBondContact NE-O 3.09Å; R347-N429 VanDerWaalsContact NE-O 3.13Å; R347-N429 PolarHBondContact NH2-O 3.05Å; R347-G431 PolarHBondContact NH2-O 3.13Å
348R98.8Very high98.5Very high75 Ų7534.2 Ų34.228%0.28317%0.168SC..Hα-helixtrans-70.1-31-179.4-61.1-53.7177.6-165.65.2113.1P305 N306 Y338 D344 A345 V346 D351 S352P305-R348 HydrophobicContact CB-CB 3.68Å; P305-R348 HydrophobicContact CG-CB 3.71Å; N306-R348 HydrophobicContact CB-CB 4.47Å; N306-R348 HydrophobicContact CB-CG 4.04Å; Y338-R348 PolarHBondContact OH-NE 2.99Å; Y338-R348 PolarHBondContact OH-NH2 3.42Å; D344-R348 VanDerWaalsContact O-CG 3.31Å; D344-R348 WeakPolarHBondContact O-CG 3.49Å; D344-R348 PolarHBondContact O-N 2.9Å; D344-R348 IonicContact OD1-NE 3.25Å; A345-R348 PolarHBondContact O-N 2.89Å; V346-R348 VanDerWaalsContact C-N 3.33Å; V346-R348 PolarHBondContact O-N 3.05Å; R348-D351 IonicContact CZ-OD2 3.01Å; R348-D351 IonicContact NH1-OD2 2.87Å; R348-D351 PolarHBondContact NH1-OD2 3.04Å; R348-D351 PolarHBondContact O-N 2.9Å; R348-S352 VanDerWaalsContact O-CB 3.25Å; R348-S352 WeakPolarHBondContact O-CB 3.26Å; R348-S352 PolarHBondContact O-N 3.27Å; R348-S352 PolarHBondContact O-OG 3.34Å
349A98.8Very high98.5Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-67.8-36.6171.200000112.1P305 L330 A345 V346 R347 S352 S353 V371P305-A349 HydrophobicContact CG-CB 4.12Å; L330-A349 HydrophobicContact CD2-CB 4.09Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.32Å; A345-A349 PolarHBondContact O-N 2.96Å; V346-A349 PolarHBondContact O-N 3.21Å; R347-A349 PolarHBondContact O-N 3.38Å; A349-S352 WeakPolarHBondContact CA-OG 3.5Å; A349-S352 PolarHBondContact O-OG 3.37Å; A349-S353 WeakPolarHBondContact O-CB 3.46Å; A349-S353 PolarHBondContact O-N 2.83Å; A349-V371 HydrophobicContact CB-CG1 3.8Å; A349-V371 HydrophobicContact CB-CG2 4.34Å
350L98.6Very high98.4Very high12 Ų1240 Ų406%0.06320%0.198CC..Hα-helixtrans-66.2-48.1172.4-70.7168.8000110.8V346 R347 S352 S353 K354 F368 V371V346-L350 HydrophobicContact CG1-CD1 4.48Å; V346-L350 PolarHBondContact O-N 3.5Å; V346-L350 VanDerWaalsContact O-N 3.09Å; R347-L350 WeakPolarHBondContact O-CB 3.47Å; R347-L350 PolarHBondContact O-N 3.22Å; L350-S352 PolarHBondContact O-N 3.11Å; L350-S353 PolarHBondContact O-N 2.88Å; L350-S353 PolarHBondContact O-OG 2.98Å; L350-K354 WeakPolarHBondContact O-CG 3.3Å; L350-K354 PolarHBondContact O-N 3.16Å; L350-K354 VanDerWaalsContact O-N 3.09Å; L350-F368 HydrophobicContact CD1-CB 4.36Å; L350-V371 HydrophobicContact CD2-CB 4.33Å; L350-V371 HydrophobicContact CD2-CG2 3.67Å; L350-V371 HydrophobicContact CG-CB 4.38Å; L350-V371 HydrophobicContact CG-CG2 3.98Å
351D98.6Very high98.3Very high56 Ų5643.9 Ų43.930%0.29922%0.224SC..Hα-helixtrans-58.4-47.7177.6-69.8-16.7000111.7R347 R348 S353 K354 V355R347-D351 PolarHBondContact O-N 3.17Å; R348-D351 IonicContact CZ-OD2 3.01Å; R348-D351 IonicContact NH1-OD2 2.87Å; R348-D351 PolarHBondContact NH1-OD2 3.04Å; R348-D351 PolarHBondContact O-N 2.9Å; D351-S353 VanDerWaalsContact C-N 3.31Å; D351-S353 PolarHBondContact O-N 3.16Å; D351-K354 WeakPolarHBondContact O-CB 3.2Å; D351-K354 PolarHBondContact O-N 3.38Å; D351-K354 VanDerWaalsContact O-N 3.11Å; D351-V355 WeakPolarHBondContact O-CG2 3.46Å; D351-V355 PolarHBondContact O-N 3.49Å
352S98.2Very high98.2Very high3 Ų351.5 Ų51.52%0.02126%0.258CS..Hα-helixtrans-60.4-40.7179.871.40000111.8H303 R348 A349 L350 K354 V355 L356H303-S352 PolarHBondContact NE2-OG 2.96Å; R348-S352 VanDerWaalsContact O-CB 3.25Å; R348-S352 WeakPolarHBondContact O-CB 3.26Å; R348-S352 PolarHBondContact O-N 3.27Å; R348-S352 PolarHBondContact O-OG 3.34Å; A349-S352 WeakPolarHBondContact CA-OG 3.5Å; A349-S352 PolarHBondContact O-OG 3.37Å; L350-S352 PolarHBondContact O-N 3.11Å; S352-K354 VanDerWaalsContact C-N 3.35Å; S352-K354 PolarHBondContact O-N 2.96Å; S352-V355 PolarHBondContact O-N 3.09Å; S352-L356 PolarHBondContact O-N 3.47Å
353S98.5Very high98.1Very high1 Ų152.5 Ų52.51%0.00726%0.262CS..Hα-helixtrans-67.4-33.1176.1800000113.3A349 L350 D351 L356 T357 Y363 T365 L366A349-S353 WeakPolarHBondContact O-CB 3.46Å; A349-S353 PolarHBondContact O-N 2.83Å; L350-S353 PolarHBondContact O-N 2.88Å; L350-S353 PolarHBondContact O-OG 2.98Å; D351-S353 VanDerWaalsContact C-N 3.31Å; D351-S353 PolarHBondContact O-N 3.16Å; S353-L356 PolarHBondContact O-N 3.11Å; S353-T357 PolarHBondContact O-N 2.63Å; S353-T357 VanDerWaalsContact O-N 3.15Å; S353-T357 PolarHBondContact O-OG1 3.32Å; S353-Y363 WeakPolarHBondContact O-CE1 3.47Å; S353-T365 WeakPolarHBondContact OG-CG2 3.36Å; S353-L366 PolarHBondContact OG-N 2.84Å
354K98.5Very high98.1Very high102 Ų10259.2 Ų59.244%0.44329%0.291SS..Hα-helixtrans-71.7-36.3175.4-69.3167-173168.80111.4L350 D351 S352 L356 T357 I358 T365L350-K354 WeakPolarHBondContact O-CG 3.3Å; L350-K354 PolarHBondContact O-N 3.16Å; L350-K354 VanDerWaalsContact O-N 3.09Å; D351-K354 WeakPolarHBondContact O-CB 3.2Å; D351-K354 PolarHBondContact O-N 3.38Å; D351-K354 VanDerWaalsContact O-N 3.11Å; S352-K354 VanDerWaalsContact C-N 3.35Å; S352-K354 PolarHBondContact O-N 2.96Å; K354-L356 VanDerWaalsContact C-N 3.26Å; K354-L356 PolarHBondContact O-N 3.01Å; K354-T357 WeakPolarHBondContact O-CB 3.32Å; K354-T357 PolarHBondContact O-N 3.32Å; K354-T357 VanDerWaalsContact O-N 3.15Å; K354-I358 WeakPolarHBondContact O-CG1 3.48Å; K354-I358 PolarHBondContact O-N 3.17Å; K354-T365 HydrophobicContact CG-CG2 3.73Å
355V98.3Very high98Very high56 Ų5660.7 Ų60.734%0.33930%0.301SS..Hα-helixtrans-57.6-42.9172.5170.90000110.4V315 D351 S352 I358 Q359V315-V355 HydrophobicContact CG2-CG1 4.46Å; D351-V355 WeakPolarHBondContact O-CG2 3.46Å; D351-V355 PolarHBondContact O-N 3.49Å; S352-V355 PolarHBondContact O-N 3.09Å; V355-I358 WeakPolarHBondContact O-CB 3.14Å; V355-I358 PolarHBondContact O-N 2.91Å; V355-Q359 WeakPolarHBondContact O-CG 3.33Å; V355-Q359 PolarHBondContact O-N 3.11Å; V355-Q359 VanDerWaalsContact O-N 3.08Å
356L98.1Very high98Very high21 Ų2161 Ų6111%0.1130%0.302CS..Hα-helixtrans-63.7-41174.6-65.6174.6000112.3V315 N317 S352 S353 K354 I358 Q359 D360 Y363V315-L356 HydrophobicContact CB-CD2 4.24Å; V315-L356 HydrophobicContact CG1-CD1 3.96Å; V315-L356 HydrophobicContact CG1-CD2 3.86Å; V315-L356 HydrophobicContact CG1-CG 3.71Å; N317-L356 HydrophobicContact CB-CD1 4.28Å; S352-L356 PolarHBondContact O-N 3.47Å; S353-L356 PolarHBondContact O-N 3.11Å; K354-L356 VanDerWaalsContact C-N 3.26Å; K354-L356 PolarHBondContact O-N 3.01Å; L356-I358 VanDerWaalsContact C-N 3.3Å; L356-I358 PolarHBondContact O-N 3.06Å; L356-Q359 PolarHBondContact O-N 3.13Å; L356-Q359 VanDerWaalsContact O-N 3.16Å; L356-D360 PolarHBondContact O-N 2.77Å; L356-Y363 HydrophobicContact CB-CD1 3.72Å; L356-Y363 HydrophobicContact CB-CD2 4.15Å; L356-Y363 HydrophobicContact CB-CE1 3.76Å; L356-Y363 HydrophobicContact CB-CE2 4.17Å; L356-Y363 HydrophobicContact CB-CG 3.92Å; L356-Y363 HydrophobicContact CD1-CE1 4.15Å; L356-Y363 HydrophobicContact CD1-CE2 3.83Å
357T98.3Very high98Very high36 Ų3663 Ų6322%0.22132%0.317CS..Hα-helixtrans-62.3-34172.7-60.60000113.4S353 K354 Q359 D360 Y363 T365S353-T357 PolarHBondContact O-N 2.63Å; S353-T357 VanDerWaalsContact O-N 3.15Å; S353-T357 PolarHBondContact O-OG1 3.32Å; K354-T357 WeakPolarHBondContact O-CB 3.32Å; K354-T357 PolarHBondContact O-N 3.32Å; K354-T357 VanDerWaalsContact O-N 3.15Å; T357-Q359 VanDerWaalsContact C-N 3.32Å; T357-D360 CarbonylContact C-O 3.59Å; T357-D360 WeakPolarHBondContact CA-O 3.38Å; T357-D360 CarbonylContact O-C 3.59Å; T357-D360 VanDerWaalsContact O-C 3.22Å; T357-Y363 WeakPolarHBondContact OG1-CD1 3.42Å; T357-Y363 PolarHBondContact OG1-O 3.46Å; T357-Y363 VanDerWaalsContact OG1-O 3.09Å; T357-T365 PolarHBondContact OG1-OG1 2.64Å
358I98.3Very high98Very high141 Ų14161 Ų6172%0.72331%0.31SS*.Hα-helixtrans-67.3-37175.3-68.9164.9000110.7K354 V355 L356K354-I358 WeakPolarHBondContact O-CG1 3.48Å; K354-I358 PolarHBondContact O-N 3.17Å; V355-I358 WeakPolarHBondContact O-CB 3.14Å; V355-I358 PolarHBondContact O-N 2.91Å; L356-I358 VanDerWaalsContact C-N 3.3Å; L356-I358 PolarHBondContact O-N 3.06Å
359Q97.4Very high98Very high141 Ų14159.3 Ų59.366%0.65931%0.305SS*.Hα-helixtrans-76.6-36.8178.5-68.9175.1-1100112.6V355 L356 T357V355-Q359 WeakPolarHBondContact O-CG 3.33Å; V355-Q359 PolarHBondContact O-N 3.11Å; V355-Q359 VanDerWaalsContact O-N 3.08Å; L356-Q359 PolarHBondContact O-N 3.13Å; L356-Q359 VanDerWaalsContact O-N 3.16Å; T357-Q359 VanDerWaalsContact C-N 3.32Å
360D97.3Very high97.9Very high82 Ų8260.9 Ų60.944%0.43931%0.312SS..  trans-135.6103.1178.8176.911000109.9L356 T357 E362 Y363L356-D360 PolarHBondContact O-N 2.77Å; T357-D360 CarbonylContact C-O 3.59Å; T357-D360 WeakPolarHBondContact CA-O 3.38Å; T357-D360 CarbonylContact O-C 3.59Å; T357-D360 VanDerWaalsContact O-C 3.22Å; D360-E362 PolarHBondContact O-N 3.24Å; D360-E362 VanDerWaalsContact O-N 3.11Å; D360-E362 PolarHBondContact OD1-N 2.95Å; D360-E362 VanDerWaalsContact OD1-N 3.09Å; D360-Y363 WeakPolarHBondContact O-CB 3.38Å; D360-Y363 PolarHBondContact O-N 3.08Å
361P95.7Very high97.9Very high104 Ų10460.3 Ų60.368%0.67531%0.309SS*.THydrogen-bonded Turntrans-59.5-20.5-179.6-26.936.1000115.2Y363P361-Y363 VanDerWaalsContact C-N 3.29Å
362E96.3Very high98Very high171 Ų17157.7 Ų57.780%0.79930%0.295SS*.THydrogen-bonded Turntrans-82.2-11176.4-60.9-60.4128.900112.2D360 K364D360-E362 PolarHBondContact O-N 3.24Å; D360-E362 VanDerWaalsContact O-N 3.11Å; D360-E362 PolarHBondContact OD1-N 2.95Å; D360-E362 VanDerWaalsContact OD1-N 3.09Å; E362-K364 PolarHBondContact O-N 2.79Å
363Y97.1Very high98Very high20 Ų2060.6 Ų60.68%0.07831%0.306CS..SBendtrans-65.4118.9175.9-178.6-92.5000111.3N317 R319 S353 L356 T357 D360 P361 T365N317-Y363 VanDerWaalsContact OD1-CE2 3.27Å; N317-Y363 WeakPolarHBondContact OD1-CE2 3.3Å; R319-Y363 HydrophobicContact CB-CD2 4.4Å; R319-Y363 HydrophobicContact CB-CE1 4.5Å; R319-Y363 HydrophobicContact CB-CE2 3.47Å; R319-Y363 VanDerWaalsContact CB-CE2 3.47Å; R319-Y363 WeakPolarHBondContact CB-OH 3.45Å; R319-Y363 HydrophobicContact CG-CE2 4.36Å; R319-Y363 PolarHBondContact N-OH 2.96Å; R319-Y363 VanDerWaalsContact N-OH 3.16Å; S353-Y363 WeakPolarHBondContact O-CE1 3.47Å; L356-Y363 HydrophobicContact CB-CD1 3.72Å; L356-Y363 HydrophobicContact CB-CD2 4.15Å; L356-Y363 HydrophobicContact CB-CE1 3.76Å; L356-Y363 HydrophobicContact CB-CE2 4.17Å; L356-Y363 HydrophobicContact CB-CG 3.92Å; L356-Y363 HydrophobicContact CD1-CE1 4.15Å; L356-Y363 HydrophobicContact CD1-CE2 3.83Å; T357-Y363 WeakPolarHBondContact OG1-CD1 3.42Å; T357-Y363 PolarHBondContact OG1-O 3.46Å; T357-Y363 VanDerWaalsContact OG1-O 3.09Å; D360-Y363 WeakPolarHBondContact O-CB 3.38Å; D360-Y363 PolarHBondContact O-N 3.08Å; P361-Y363 VanDerWaalsContact C-N 3.29Å; Y363-T365 PolarHBondContact O-N 3.5Å
364K97.6Very high98Very high141 Ų14160.7 Ų60.761%0.61331%0.306SS*.  trans-73.498.6174.9-173.2-179177.7-176.90111.3R319 E362R319-K364 HydrophobicContact CG-CB 4.45Å; R319-K364 PolarHBondContact NE-O 3.24Å; R319-K364 VanDerWaalsContact NE-O 3.07Å; R319-K364 PolarHBondContact NH2-O 2.72Å; E362-K364 PolarHBondContact O-N 2.79Å
365T97.9Very high98Very high49 Ų4955.9 Ų55.930%0.30129%0.285SS..PPolyproline II helixtrans-48150173-36.80000111.6R319 S353 K354 T357 Y363R319-T365 PolarHBondContact NH2-O 3.02Å; S353-T365 WeakPolarHBondContact OG-CG2 3.36Å; K354-T365 HydrophobicContact CG-CG2 3.73Å; T357-T365 PolarHBondContact OG1-OG1 2.64Å; Y363-T365 PolarHBondContact O-N 3.5Å
366L98.4Very high98.1Very high8 Ų853.2 Ų53.24%0.04227%0.269CS..PPolyproline II helixtrans-75.4140.9173.4-59.7177.1000110.4V318 L322 S353 E370 V371V318-L366 HydrophobicContact CB-CD1 3.86Å; V318-L366 HydrophobicContact CB-CD2 4.4Å; V318-L366 HydrophobicContact CG1-CD1 3.6Å; V318-L366 HydrophobicContact CG1-CD2 3.84Å; V318-L366 HydrophobicContact CG1-CG 4.3Å; V318-L366 HydrophobicContact CG2-CD1 4.3Å; L322-L366 HydrophobicContact CD1-CD2 4.18Å; S353-L366 PolarHBondContact OG-N 2.84Å; L366-E370 WeakPolarHBondContact CA-OE2 3.38Å; L366-V371 HydrophobicContact CB-CG2 3.82Å; L366-V371 HydrophobicContact CD1-CG2 3.86Å; L366-V371 HydrophobicContact CG-CG2 4.5Å
367S98.5Very high98.1Very high43 Ų4352.5 Ų52.530%0.30127%0.266SS..PPolyproline II helixtrans-83.1161.1168.390.40000111.2E369 E370 V371S367-E369 WeakPolarHBondContact CB-OE2 2.87Å; S367-E369 PolarHBondContact O-N 2.95Å; S367-E369 PolarHBondContact OG-N 3.04Å; S367-E369 PolarHBondContact OG-OE2 3.27Å; S367-E370 PolarHBondContact N-OE2 3.49Å; S367-E370 PolarHBondContact O-N 3.22Å; S367-E370 PolarHBondContact OG-N 2.95Å; S367-V371 WeakPolarHBondContact O-CG2 3.45Å; S367-V371 PolarHBondContact O-N 3.2Å; S367-V371 VanDerWaalsContact O-N 3.13Å
368F98.2Very high98.1Very high20 Ų2050.9 Ų50.99%0.08826%0.256CS..Hα-helixtrans-66.5-29.417778.7-93.7000111.7L28 L350 V371 F372 Q421 L424 E425 L428L28-F368 HydrophobicContact CD2-CE2 3.98Å; L28-F368 HydrophobicContact CD2-CZ 4.28Å; L350-F368 HydrophobicContact CD1-CB 4.36Å; F368-V371 PolarHBondContact O-N 2.76Å; F368-F372 VanDerWaalsContact O-CB 3.23Å; F368-F372 WeakPolarHBondContact O-CB 3.37Å; F368-F372 PolarHBondContact O-N 2.92Å; F368-Q421 HydrophobicContact CE2-CG 4.47Å; F368-Q421 HydrophobicContact CZ-CG 3.76Å; F368-L424 HydrophobicContact CE2-CD2 4.27Å; F368-E425 HydrophobicContact CD1-CG 4.07Å; F368-E425 HydrophobicContact CD2-CB 4.33Å; F368-E425 HydrophobicContact CD2-CG 4.39Å; F368-E425 HydrophobicContact CE1-CB 4.42Å; F368-E425 HydrophobicContact CE1-CG 4.26Å; F368-E425 HydrophobicContact CE2-CB 4.15Å; F368-E425 HydrophobicContact CG-CG 4.14Å; F368-E425 HydrophobicContact CZ-CB 4.2Å; F368-L428 HydrophobicContact CD2-CD1 4.12Å
369E98.6Very high98.2Very high39 Ų3944.2 Ų44.218%0.18222%0.222CC..Hα-helixtrans-64.5-43.3173.9-5790162.300111.3A27 L28 S367 F372 R373 Q421A27-E369 HydrophobicContact CB-CB 3.86Å; L28-E369 HydrophobicContact CB-CB 3.79Å; L28-E369 HydrophobicContact CB-CG 3.62Å; L28-E369 HydrophobicContact CD2-CG 3.63Å; L28-E369 HydrophobicContact CG-CG 4.26Å; S367-E369 WeakPolarHBondContact CB-OE2 2.87Å; S367-E369 PolarHBondContact O-N 2.95Å; S367-E369 PolarHBondContact OG-N 3.04Å; S367-E369 PolarHBondContact OG-OE2 3.27Å; E369-F372 PolarHBondContact O-N 3.36Å; E369-R373 PolarHBondContact O-N 3.36Å; E369-Q421 PolarHBondContact OE1-NE2 3.38Å
370E98.6Very high98.2Very high32 Ų3237.5 Ų37.515%0.1519%0.19CC..Hα-helixtrans-61.5-45.3175.8-71.3178.3126.200110.8R319 L366 S367 R373 L374R319-E370 IonicContact CZ-OE1 3.03Å; R319-E370 IonicContact CZ-OE2 3.02Å; R319-E370 IonicContact NH1-OE1 3.95Å; R319-E370 PolarHBondContact NH1-OE1 3.38Å; R319-E370 IonicContact NH1-OE2 3.38Å; R319-E370 VanDerWaalsContact NH2-CD 3.32Å; R319-E370 IonicContact NH2-OE1 3.4Å; R319-E370 PolarHBondContact NH2-OE1 3.41Å; R319-E370 IonicContact NH2-OE2 2.76Å; R319-E370 PolarHBondContact NH2-OE2 2.76Å; L366-E370 WeakPolarHBondContact CA-OE2 3.38Å; S367-E370 PolarHBondContact N-OE2 3.49Å; S367-E370 PolarHBondContact O-N 3.22Å; S367-E370 PolarHBondContact OG-N 2.95Å; E370-R373 WeakPolarHBondContact O-CB 3.32Å; E370-R373 PolarHBondContact O-N 2.81Å; E370-L374 WeakPolarHBondContact O-CG 3.46Å; E370-L374 PolarHBondContact O-N 3.27Å
371V98.6Very high98.3Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-71.8-34.9-179.7-176.60000112.1L330 V346 A349 L350 L366 S367 F368 R373 L374 A375L330-V371 HydrophobicContact CD1-CG1 3.99Å; V346-V371 HydrophobicContact CB-CG1 4Å; V346-V371 HydrophobicContact CG1-CG1 3.78Å; V346-V371 HydrophobicContact CG2-CG1 4.07Å; A349-V371 HydrophobicContact CB-CG1 3.8Å; A349-V371 HydrophobicContact CB-CG2 4.34Å; L350-V371 HydrophobicContact CD2-CB 4.33Å; L350-V371 HydrophobicContact CD2-CG2 3.67Å; L350-V371 HydrophobicContact CG-CB 4.38Å; L350-V371 HydrophobicContact CG-CG2 3.98Å; L366-V371 HydrophobicContact CB-CG2 3.82Å; L366-V371 HydrophobicContact CD1-CG2 3.86Å; L366-V371 HydrophobicContact CG-CG2 4.5Å; S367-V371 WeakPolarHBondContact O-CG2 3.45Å; S367-V371 PolarHBondContact O-N 3.2Å; S367-V371 VanDerWaalsContact O-N 3.13Å; F368-V371 PolarHBondContact O-N 2.76Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-R373 PolarHBondContact O-N 3.37Å; V371-L374 WeakPolarHBondContact O-CB 3.49Å; V371-L374 PolarHBondContact O-N 3.27Å; V371-L374 VanDerWaalsContact O-N 3.14Å; V371-A375 PolarHBondContact O-N 3.34Å
372F98.9Very high98.5Very high1 Ų131.5 Ų31.50%0.00415%0.151CC..Hα-helixtrans-58.8-41.6170171.8-101.9000111.5V20 L28 M77 F368 E369 A375 T376 L424 L428V20-F372 HydrophobicContact CG1-CE1 4.33Å; V20-F372 HydrophobicContact CG1-CZ 4.03Å; L28-F372 HydrophobicContact CD1-CD1 3.99Å; L28-F372 HydrophobicContact CD1-CE1 3.88Å; M77-F372 HydrophobicContact CB-CE2 4.26Å; M77-F372 HydrophobicContact CB-CZ 4.28Å; M77-F372 HydrophobicContact CE-CD2 4.23Å; M77-F372 HydrophobicContact CE-CE2 3.52Å; M77-F372 HydrophobicContact CE-CZ 4.46Å; M77-F372 HydrophobicContact SD-CE2 4.08Å; F368-F372 VanDerWaalsContact O-CB 3.23Å; F368-F372 WeakPolarHBondContact O-CB 3.37Å; F368-F372 PolarHBondContact O-N 2.92Å; E369-F372 PolarHBondContact O-N 3.36Å; F372-A375 PolarHBondContact O-N 3.35Å; F372-T376 HydrophobicContact CE2-CG2 4.41Å; F372-T376 PolarHBondContact O-N 2.96Å; F372-T376 PolarHBondContact O-OG1 3.32Å; F372-L424 HydrophobicContact CD2-CD1 4.2Å; F372-L424 HydrophobicContact CD2-CD2 4.33Å; F372-L424 HydrophobicContact CE2-CD1 3.92Å; F372-L424 HydrophobicContact CE2-CD2 4.39Å; F372-L424 HydrophobicContact CG-CD2 4.45Å; F372-L428 HydrophobicContact CB-CD1 4.05Å; F372-L428 HydrophobicContact CD2-CD1 4.15Å; F372-L428 HydrophobicContact CD2-CD2 4.27Å; F372-L428 HydrophobicContact CG-CD1 4.49Å
373R98.9Very high98.6Very high64 Ų6423.5 Ų23.524%0.24211%0.114CC..Hα-helixtrans-60.7-46.2172.2-173.8175.973.8173.34.2111.2S22 E369 E370 V371 A375 T376 L377 G378S22-R373 WeakPolarHBondContact OG-CA 3.32Å; S22-R373 WeakPolarHBondContact OG-CB 3.32Å; E369-R373 PolarHBondContact O-N 3.36Å; E370-R373 WeakPolarHBondContact O-CB 3.32Å; E370-R373 PolarHBondContact O-N 2.81Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-R373 PolarHBondContact O-N 3.37Å; R373-A375 VanDerWaalsContact C-N 3.27Å; R373-A375 PolarHBondContact O-N 3.46Å; R373-T376 CarbonylContact O-C 3.21Å; R373-T376 PolarHBondContact O-N 3.06Å; R373-T376 VanDerWaalsContact O-N 3.12Å; R373-L377 HydrophobicContact CG-CB 4.22Å; R373-L377 PolarHBondContact O-N 3.29Å; R373-L377 VanDerWaalsContact O-N 3.11Å; R373-G378 PolarHBondContact O-N 3Å
374L98.9Very high98.6Very high4 Ų424.3 Ų24.32%0.02112%0.122CC..Iπ-helixtrans-60-36.6178.3-63.6178.3000112.6V318 L322 L328 L330 E370 V371 T376 G379V318-L374 HydrophobicContact CG1-CD1 4.14Å; L322-L374 HydrophobicContact CD2-CD2 4.44Å; L328-L374 HydrophobicContact CB-CD2 4.02Å; L328-L374 HydrophobicContact CD2-CD1 4.05Å; L328-L374 HydrophobicContact CD2-CD2 4Å; L328-L374 HydrophobicContact CG-CD2 4.05Å; L328-L374 WeakPolarHBondContact O-CD2 3.32Å; L330-L374 HydrophobicContact CD1-CB 4.4Å; L330-L374 HydrophobicContact CD2-CB 4.02Å; L330-L374 HydrophobicContact CD2-CD1 4.28Å; L330-L374 HydrophobicContact CG-CB 3.89Å; E370-L374 WeakPolarHBondContact O-CG 3.46Å; E370-L374 PolarHBondContact O-N 3.27Å; V371-L374 WeakPolarHBondContact O-CB 3.49Å; V371-L374 PolarHBondContact O-N 3.27Å; V371-L374 VanDerWaalsContact O-N 3.14Å; L374-T376 VanDerWaalsContact C-N 3.25Å; L374-T376 PolarHBondContact O-N 3.39Å; L374-G379 PolarHBondContact O-N 3.34Å
375A98.9Very high98.7Very high1 Ų118.1 Ų18.11%0.00810%0.096CC..Iπ-helixtrans-71.7-15.317800000114.4M80 I81 L330 I342 V346 V371 F372 R373M80-A375 WeakPolarHBondContact CA-O 3.48Å; I81-A375 PolarHBondContact N-O 3.02Å; L330-A375 HydrophobicContact CD1-CB 3.93Å; I342-A375 HydrophobicContact CG2-CB 3.75Å; V346-A375 HydrophobicContact CG2-CB 3.64Å; V371-A375 PolarHBondContact O-N 3.34Å; F372-A375 PolarHBondContact O-N 3.35Å; R373-A375 VanDerWaalsContact C-N 3.27Å; R373-A375 PolarHBondContact O-N 3.46Å
376T98.9Very high98.7Very high0 Ų017.9 Ų17.90%09%0.093CC..Iπ-helixtrans-127.1-94.6-174.856.20000110.9M77 P78 I81 F372 R373 L374 G378 G379 S380M77-T376 HydrophobicContact CE-CG2 4.25Å; P78-T376 HydrophobicContact CB-CG2 3.97Å; P78-T376 HydrophobicContact CG-CG2 4.49Å; I81-T376 WeakPolarHBondContact CD1-O 3.33Å; F372-T376 HydrophobicContact CE2-CG2 4.41Å; F372-T376 PolarHBondContact O-N 2.96Å; F372-T376 PolarHBondContact O-OG1 3.32Å; R373-T376 CarbonylContact O-C 3.21Å; R373-T376 PolarHBondContact O-N 3.06Å; R373-T376 VanDerWaalsContact O-N 3.12Å; L374-T376 VanDerWaalsContact C-N 3.25Å; L374-T376 PolarHBondContact O-N 3.39Å; T376-G378 PolarHBondContact O-N 2.77Å; T376-G379 PolarHBondContact O-N 3.24Å; T376-S380 PolarHBondContact O-N 2.99Å
377L98.9Very high98.7Very high6 Ų625 Ų253%0.03113%0.126CC..Iπ-helixtrans-59.8-42.6-176.3-177.863.3000112.5T23 R373 G379 S380 Q381 D386 G390T23-L377 VanDerWaalsContact O-CD2 3.3Å; T23-L377 WeakPolarHBondContact O-CD2 3.49Å; R373-L377 HydrophobicContact CG-CB 4.22Å; R373-L377 PolarHBondContact O-N 3.29Å; R373-L377 VanDerWaalsContact O-N 3.11Å; L377-G379 PolarHBondContact O-N 3.42Å; L377-S380 WeakPolarHBondContact CA-OG 3.33Å; L377-S380 PolarHBondContact O-N 2.89Å; L377-S380 VanDerWaalsContact O-N 3.12Å; L377-S380 PolarHBondContact O-OG 3.43Å; L377-Q381 WeakPolarHBondContact O-CG 3.38Å; L377-Q381 PolarHBondContact O-N 2.86Å; L377-D386 HydrophobicContact CD1-CB 4.42Å; L377-G390 PolarHBondContact N-O 3.04Å
378G98.8Very high98.6Very high2 Ų228.5 Ų28.52%0.02113%0.132CC..Iπ-helixtrans-60.7-44.7177.100000112.3L328 R373 T376 S380 Q381 A382L328-G378 CarbonylContact O-C 3.58Å; L328-G378 WeakPolarHBondContact O-CA 3.45Å; R373-G378 PolarHBondContact O-N 3Å; T376-G378 PolarHBondContact O-N 2.77Å; G378-S380 VanDerWaalsContact C-N 3.33Å; G378-S380 PolarHBondContact O-N 3.15Å; G378-Q381 PolarHBondContact O-N 2.86Å; G378-A382 WeakPolarHBondContact O-CB 3.27Å; G378-A382 PolarHBondContact O-N 3.24Å
379G98.9Very high98.6Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-59.8-40.2171.600000113L374 T376 L377 Q381 A382 L383L374-G379 PolarHBondContact O-N 3.34Å; T376-G379 PolarHBondContact O-N 3.24Å; L377-G379 PolarHBondContact O-N 3.42Å; G379-Q381 VanDerWaalsContact C-N 3.35Å; G379-Q381 PolarHBondContact O-N 3.41Å; G379-A382 PolarHBondContact O-N 3.08Å; G379-L383 PolarHBondContact O-N 3.2Å; G379-L383 VanDerWaalsContact O-N 3.09Å
380S98.9Very high98.6Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-65.7-38.5176.673.50000112.1I81 T376 L377 G378 L383 S384 L385 D386 T389I81-S380 VanDerWaalsContact CD1-CB 3.44Å; T376-S380 PolarHBondContact O-N 2.99Å; L377-S380 WeakPolarHBondContact CA-OG 3.33Å; L377-S380 PolarHBondContact O-N 2.89Å; L377-S380 VanDerWaalsContact O-N 3.12Å; L377-S380 PolarHBondContact O-OG 3.43Å; G378-S380 VanDerWaalsContact C-N 3.33Å; G378-S380 PolarHBondContact O-N 3.15Å; S380-L383 PolarHBondContact O-N 3.49Å; S380-S384 PolarHBondContact O-N 2.84Å; S380-S384 VanDerWaalsContact O-N 3.14Å; S380-L385 PolarHBondContact O-N 3.3Å; S380-D386 PolarHBondContact O-N 3.23Å; S380-D386 WeakPolarHBondContact OG-CA 3.43Å; S380-D386 WeakPolarHBondContact OG-CB 3.41Å; S380-T389 PolarHBondContact OG-O 2.65Å
381Q98.8Very high98.6Very high59 Ų5924.4 Ų24.428%0.27611%0.114SC..Hα-helixtrans-67.4-41.6176.2-71.5173-32.400111L377 G378 G379 L383 S384 D386L377-Q381 WeakPolarHBondContact O-CG 3.38Å; L377-Q381 PolarHBondContact O-N 2.86Å; G378-Q381 PolarHBondContact O-N 2.86Å; G379-Q381 VanDerWaalsContact C-N 3.35Å; G379-Q381 PolarHBondContact O-N 3.41Å; Q381-L383 VanDerWaalsContact C-N 3.25Å; Q381-L383 PolarHBondContact O-N 2.74Å; Q381-S384 PolarHBondContact O-N 3.08Å; Q381-D386 HydrophobicContact CB-CB 4.37Å; Q381-D386 HydrophobicContact CG-CB 3.59Å
382A98.8Very high98.6Very high2 Ų224.5 Ų24.52%0.01712%0.115CC..Hα-helixtrans-62.5-33.1178.300000112.4T83 I279 A300 G378 G379T83-A382 HydrophobicContact CG2-CB 4.27Å; I279-A382 HydrophobicContact CD1-CB 3.84Å; A300-A382 HydrophobicContact CB-CB 3.77Å; A300-A382 WeakPolarHBondContact CB-O 3.46Å; G378-A382 WeakPolarHBondContact O-CB 3.27Å; G378-A382 PolarHBondContact O-N 3.24Å; G379-A382 PolarHBondContact O-N 3.08Å
383L98.8Very high98.6Very high2 Ų228.6 Ų28.61%0.0113%0.134CC..THydrogen-bonded Turntrans-91.44.2173.9-59.7-176.8000113.9I81 T83 T140 C142 L167 H239 I279 G379 S380 Q381 L385I81-L383 HydrophobicContact CG2-CD1 3.72Å; T83-L383 HydrophobicContact CG2-CD1 4.24Å; T83-L383 HydrophobicContact CG2-CD2 4.23Å; T83-L383 HydrophobicContact CG2-CG 3.95Å; T140-L383 HydrophobicContact CG2-CD1 4.02Å; C142-L383 HydrophobicContact CB-CD1 4.28Å; C142-L383 HydrophobicContact CB-CD2 3.98Å; L167-L383 HydrophobicContact CD1-CD2 4.21Å; H239-L383 PolarHBondContact CD2-O 3.5Å; H239-L383 PolarHBondContact NE2-O 3.47Å; H239-L383 VanDerWaalsContact NE2-O 3.12Å; I279-L383 HydrophobicContact CB-CD2 4.32Å; I279-L383 HydrophobicContact CG1-CD2 4.29Å; I279-L383 HydrophobicContact CG2-CD2 4.13Å; G379-L383 PolarHBondContact O-N 3.2Å; G379-L383 VanDerWaalsContact O-N 3.09Å; S380-L383 PolarHBondContact O-N 3.49Å; Q381-L383 VanDerWaalsContact C-N 3.25Å; Q381-L383 PolarHBondContact O-N 2.74Å; L383-L385 HydrophobicContact CB-CD1 4.05Å; L383-L385 HydrophobicContact CB-CG 4.09Å; L383-L385 HydrophobicContact CD1-CD1 4.45Å; L383-L385 WeakPolarHBondContact O-CG 3.49Å; L383-L385 PolarHBondContact O-N 3.25Å
384S98.5Very high98.6Very high37 Ų3729.8 Ų29.826%0.25915%0.148SC..THydrogen-bonded Turntrans53.642-175.7-64.10000113D276 S380 Q381D276-S384 PolarHBondContact O-OG 3.13Å; S380-S384 PolarHBondContact O-N 2.84Å; S380-S384 VanDerWaalsContact O-N 3.14Å; Q381-S384 PolarHBondContact O-N 3.08Å
385L98.5Very high98.6Very high12 Ų1231.5 Ų31.56%0.06317%0.167CC..  trans-120.36.1178.5-64179.3000112.8T140 S380 L383 E387 R388 T389T140-L385 HydrophobicContact CG2-CD1 4Å; S380-L385 PolarHBondContact O-N 3.3Å; L383-L385 HydrophobicContact CB-CD1 4.05Å; L383-L385 HydrophobicContact CB-CG 4.09Å; L383-L385 HydrophobicContact CD1-CD1 4.45Å; L383-L385 WeakPolarHBondContact O-CG 3.49Å; L383-L385 PolarHBondContact O-N 3.25Å; L385-E387 VanDerWaalsContact C-N 3.27Å; L385-E387 PolarHBondContact O-N 3.47Å; L385-R388 WeakPolarHBondContact O-CA 3.37Å; L385-R388 WeakPolarHBondContact O-CB 3.25Å; L385-R388 PolarHBondContact O-N 3.5Å; L385-T389 HydrophobicContact CB-CG2 4.23Å; L385-T389 PolarHBondContact O-N 3.37Å
386D98.2Very high98.5Very high44 Ų4432 Ų3224%0.23517%0.169CC..THydrogen-bonded Turntrans-63.4-28.2-176.256.1-52.8000113.3L377 S380 Q381 R388 K396L377-D386 HydrophobicContact CD1-CB 4.42Å; S380-D386 PolarHBondContact O-N 3.23Å; S380-D386 WeakPolarHBondContact OG-CA 3.43Å; S380-D386 WeakPolarHBondContact OG-CB 3.41Å; Q381-D386 HydrophobicContact CB-CB 4.37Å; Q381-D386 HydrophobicContact CG-CB 3.59Å; D386-R388 PolarHBondContact O-N 2.91Å; D386-K396 WeakPolarHBondContact O-CE 3.45Å; D386-K396 PolarHBondContact O-NZ 3.33Å
387E97.7Very high98.5Very high158 Ų15832.6 Ų32.674%0.73817%0.172SC*.THydrogen-bonded Turntrans-66.4-14.1169.4-67.6-60.7149.900113.6L385L385-E387 VanDerWaalsContact C-N 3.27Å; L385-E387 PolarHBondContact O-N 3.47Å
388R97.9Very high98.5Very high115 Ų11532.3 Ų32.343%0.43417%0.17SC..THydrogen-bonded Turntrans-111.5-32.9-177.2-65.6-172.2175.5-117.7-2.5113.9L385 D386 K396 D397L385-R388 WeakPolarHBondContact O-CA 3.37Å; L385-R388 WeakPolarHBondContact O-CB 3.25Å; L385-R388 PolarHBondContact O-N 3.5Å; D386-R388 PolarHBondContact O-N 2.91Å; R388-K396 WeakPolarHBondContact O-CB 3.42Å; R388-D397 WeakPolarHBondContact O-CB 3.46Å; R388-D397 PolarHBondContact O-N 3.15Å
389T98.6Very high98.5Very high0 Ų032.5 Ų32.50%017%0.171CC..SBendtrans-151.5-175.1-171.2-168.90000111.2I81 S380 L385 D399I81-T389 HydrophobicContact CD1-CG2 3.98Å; S380-T389 PolarHBondContact OG-O 2.65Å; L385-T389 HydrophobicContact CB-CG2 4.23Å; L385-T389 PolarHBondContact O-N 3.37Å; T389-D399 WeakPolarHBondContact CB-OD2 3.4Å; T389-D399 VanDerWaalsContact OG1-CB 3.28Å; T389-D399 WeakPolarHBondContact OG1-CB 3.4Å; T389-D399 VanDerWaalsContact OG1-CG 3.29Å; T389-D399 PolarHBondContact OG1-OD2 3.39Å
390G98.3Very high98.5Very high1 Ų132.5 Ų32.51%0.0117%0.171CC..SBendtrans98.5-18174.100000115.5P78 L377P78-G390 WeakPolarHBondContact CG-O 3.45Å; L377-G390 PolarHBondContact N-O 3.04Å
391N98.8Very high98.5Very high5 Ų532.5 Ų32.53%0.02717%0.171CC..SBendtrans-155.6-176.8170.668.29.3000112.1H21 S22 Q393 K396H21-N391 HydrophobicContact CB-CB 4.17Å; S22-N391 WeakPolarHBondContact O-CB 3.33Å; S22-N391 PolarHBondContact O-ND2 3.39Å; N391-Q393 PolarHBondContact O-N 3.09Å; N391-Q393 WeakPolarHBondContact OD1-CG 3.26Å; N391-Q393 PolarHBondContact OD1-N 3.05Å; N391-K396 VanDerWaalsContact OD1-CD 3.29Å; N391-K396 WeakPolarHBondContact OD1-CD 3.46Å; N391-K396 VanDerWaalsContact OD1-CE 3.3Å; N391-K396 WeakPolarHBondContact OD1-CE 3.43Å; N391-K396 PolarHBondContact OD1-NZ 3.2Å
392F98.7Very high98.5Very high2 Ų231.5 Ų31.51%0.00917%0.165CC..  trans-96.534.6-176.4-54.6-54.5000114.6F19 H21 L36 I44 I47 F76 P78 F398 A400F19-F392 HydrophobicContact CB-CD2 4.03Å; F19-F392 HydrophobicContact CB-CE2 4.05Å; F19-F392 HydrophobicContact CD1-CD2 4.22Å; F19-F392 HydrophobicContact CD1-CE2 4.06Å; F19-F392 HydrophobicContact CD1-CZ 4.41Å; H21-F392 HydrophobicContact CB-CD2 3.8Å; H21-F392 HydrophobicContact CB-CE2 4.18Å; H21-F392 AromaticContact CG-CD2 3.91Å; H21-F392 VanDerWaalsContact ND1-CB 3.27Å; H21-F392 WeakPolarHBondContact ND1-CB 3.46Å; H21-F392 AromaticContact ND1-CD2 3.38Å; H21-F392 WeakPolarHBondContact ND1-CD2 3.47Å; H21-F392 AromaticContact ND1-CG 3.63Å; H21-F392 PolarHBondContact ND1-N 3.02Å; L36-F392 HydrophobicContact CD1-CB 3.92Å; L36-F392 HydrophobicContact CD1-CD1 4.05Å; L36-F392 HydrophobicContact CD1-CG 4Å; I44-F392 HydrophobicContact CD1-CB 4.11Å; I44-F392 HydrophobicContact CD1-CD1 4.05Å; I47-F392 HydrophobicContact CD1-CB 4.22Å; F76-F392 HydrophobicContact CB-CE2 4.37Å; F76-F392 HydrophobicContact CB-CZ 4.01Å; P78-F392 HydrophobicContact CG-CE1 4.49Å; P78-F392 HydrophobicContact CG-CE2 4.33Å; P78-F392 HydrophobicContact CG-CZ 4.25Å; F392-F398 HydrophobicContact CD1-CD2 4.46Å; F392-F398 HydrophobicContact CD1-CE2 4.32Å; F392-F398 HydrophobicContact CE1-CD2 4.41Å; F392-F398 HydrophobicContact CE1-CE2 4.01Å; F392-A400 HydrophobicContact CE1-CB 3.87Å; F392-A400 HydrophobicContact CZ-CB 4.33Å
393Q98.3Very high98.5Very high87 Ų8731.4 Ų31.441%0.40716%0.164SC..  trans-70.9140.9174-74.5177.5-19.200111.6N391 G395 K396N391-Q393 PolarHBondContact O-N 3.09Å; N391-Q393 WeakPolarHBondContact OD1-CG 3.26Å; N391-Q393 PolarHBondContact OD1-N 3.05Å; Q393-G395 PolarHBondContact O-N 3.13Å; Q393-K396 HydrophobicContact CB-CD 4.09Å; Q393-K396 HydrophobicContact CB-CG 4.27Å; Q393-K396 WeakPolarHBondContact O-CB 3.49Å; Q393-K396 PolarHBondContact O-N 3.33Å
394V98.3Very high98.5Very high88 Ų8832.7 Ų32.753%0.53317%0.171SC..THydrogen-bonded Turntrans-56.9135.8176.4175.50000110.4I44 A45 I47I44-V394 HydrophobicContact CG2-CG2 4.48Å; A45-V394 WeakPolarHBondContact O-CG1 3.43Å; I47-V394 HydrophobicContact CG2-CG2 4.35Å
395G98.1Very high98.4Very high41 Ų4131 Ų3142%0.42316%0.159SC..THydrogen-bonded Turntrans91.6-15.8-177.200000115.1K43 I44 Q393K43-G395 WeakPolarHBondContact CD-O 3.49Å; K43-G395 WeakPolarHBondContact CE-O 3.24Å; K43-G395 PolarHBondContact NZ-O 3.14Å; I44-G395 PolarHBondContact O-N 2.85Å; Q393-G395 PolarHBondContact O-N 3.13Å
396K98.8Very high98.3Very high12 Ų1232.6 Ų32.65%0.05217%0.173CC..SBendtrans-74.7157.2173-66.1-165.5-175.5-176.60111.9K43 I44 D386 R388 N391 Q393K43-K396 CarbonylContact C-O 3.55Å; K43-K396 VanDerWaalsContact CA-O 3.28Å; K43-K396 WeakPolarHBondContact CA-O 3.39Å; I44-K396 PolarHBondContact N-O 3.16Å; D386-K396 WeakPolarHBondContact O-CE 3.45Å; D386-K396 PolarHBondContact O-NZ 3.33Å; R388-K396 WeakPolarHBondContact O-CB 3.42Å; N391-K396 VanDerWaalsContact OD1-CD 3.29Å; N391-K396 WeakPolarHBondContact OD1-CD 3.46Å; N391-K396 VanDerWaalsContact OD1-CE 3.3Å; N391-K396 WeakPolarHBondContact OD1-CE 3.43Å; N391-K396 PolarHBondContact OD1-NZ 3.2Å; Q393-K396 HydrophobicContact CB-CD 4.09Å; Q393-K396 HydrophobicContact CB-CG 4.27Å; Q393-K396 WeakPolarHBondContact O-CB 3.49Å; Q393-K396 PolarHBondContact O-N 3.33Å
397D98.8Very high98.2Very high12 Ų1231 Ų316%0.06417%0.166CC..BIsolated β-bridgetrans-65.4136.9170.7-68.2-12.8000108.9K43 R165 R388 D399 A442K43-D397 WeakPolarHBondContact CD-OD1 3.32Å; K43-D397 WeakPolarHBondContact CE-OD1 3.1Å; K43-D397 IonicContact NZ-OD1 3.96Å; K43-D397 PolarHBondContact NZ-OD1 3.07Å; R165-D397 IonicContact CZ-OD2 3.29Å; R165-D397 VanDerWaalsContact CZ-OD2 3.31Å; R165-D397 IonicContact NH1-OD2 2.78Å; R165-D397 PolarHBondContact NH1-OD2 3.22Å; R165-D397 VanDerWaalsContact NH1-OD2 3.07Å; R165-D397 VanDerWaalsContact NH2-CB 3.34Å; R165-D397 IonicContact NH2-OD2 3.18Å; R165-D397 PolarHBondContact NH2-OD2 3.5Å; R388-D397 WeakPolarHBondContact O-CB 3.46Å; R388-D397 PolarHBondContact O-N 3.15Å; D397-D399 VanDerWaalsContact C-N 3.25Å; D397-D399 PolarHBondContact O-N 3.26Å; D397-A442 HydrophobicContact CB-CB 4.29Å
398F98.8Very high98Very high0 Ų029.6 Ų29.60%017%0.171CC..  trans-78.379174.6-171.6-105.3000110.3F13 L36 V38 G42 I44 F76 F392 A400 F440 A442 G443F13-F398 HydrophobicContact CE2-CD1 4.27Å; F13-F398 AromaticContact CE2-CE1 3.9Å; F13-F398 HydrophobicContact CE2-CE1 3.9Å; F13-F398 HydrophobicContact CE2-CZ 4.33Å; F13-F398 AromaticContact CZ-CD1 3.67Å; F13-F398 HydrophobicContact CZ-CD1 3.67Å; F13-F398 AromaticContact CZ-CE1 3.67Å; F13-F398 HydrophobicContact CZ-CE1 3.67Å; F13-F398 HydrophobicContact CZ-CG 4.48Å; L36-F398 HydrophobicContact CD1-CD2 4.45Å; L36-F398 HydrophobicContact CD1-CE2 4.05Å; L36-F398 HydrophobicContact CD2-CD2 3.75Å; L36-F398 HydrophobicContact CD2-CE2 3.58Å; L36-F398 HydrophobicContact CD2-CZ 4.46Å; L36-F398 HydrophobicContact CG-CE2 4.49Å; V38-F398 HydrophobicContact CG1-CB 3.98Å; V38-F398 HydrophobicContact CG2-CB 3.75Å; V38-F398 HydrophobicContact CG2-CD1 3.97Å; V38-F398 HydrophobicContact CG2-CD2 3.74Å; V38-F398 HydrophobicContact CG2-CE1 4.48Å; V38-F398 HydrophobicContact CG2-CE2 4.29Å; V38-F398 HydrophobicContact CG2-CG 3.55Å; G42-F398 PolarHBondContact O-N 3.44Å; I44-F398 HydrophobicContact CD1-CD2 4.25Å; I44-F398 HydrophobicContact CG1-CB 4.16Å; I44-F398 HydrophobicContact CG1-CD2 4.04Å; F76-F398 HydrophobicContact CD1-CZ 4.03Å; F76-F398 HydrophobicContact CE1-CE1 4.27Å; F76-F398 AromaticContact CE1-CZ 3.9Å; F76-F398 HydrophobicContact CE1-CZ 3.9Å; F76-F398 HydrophobicContact CG-CZ 4.49Å; F76-F398 HydrophobicContact CZ-CZ 4.24Å; F392-F398 HydrophobicContact CD1-CD2 4.46Å; F392-F398 HydrophobicContact CD1-CE2 4.32Å; F392-F398 HydrophobicContact CE1-CD2 4.41Å; F392-F398 HydrophobicContact CE1-CE2 4.01Å; F398-A400 HydrophobicContact CD1-CB 4Å; F398-A400 HydrophobicContact CD2-CB 4.13Å; F398-A400 HydrophobicContact CE1-CB 3.58Å; F398-A400 HydrophobicContact CE2-CB 3.7Å; F398-A400 HydrophobicContact CG-CB 4.28Å; F398-A400 HydrophobicContact CZ-CB 3.42Å; F398-A400 VanDerWaalsContact CZ-CB 3.42Å; F398-F440 HydrophobicContact CD1-CB 3.72Å; F398-F440 HydrophobicContact CD1-CD1 4.23Å; F398-F440 AromaticContact CD1-CG 3.96Å; F398-F440 HydrophobicContact CD1-CG 3.96Å; F398-F440 HydrophobicContact CE1-CB 3.87Å; F398-F440 HydrophobicContact CE1-CD1 4.07Å; F398-F440 AromaticContact CE1-CD2 3.92Å; F398-F440 HydrophobicContact CE1-CD2 3.92Å; F398-F440 HydrophobicContact CE1-CE2 4.48Å; F398-F440 AromaticContact CE1-CG 3.69Å; F398-F440 HydrophobicContact CE1-CG 3.69Å; F398-A442 PolarHBondContact O-N 2.98Å; F398-G443 PolarHBondContact O-N 3.35Å
399D98.8Very high97.8Very high5 Ų526.8 Ų26.83%0.02718%0.178CC..  trans-93.1104167.1-62.2-3.8000107.8G79 T139 R165 T389 D397 F440 V441 A442G79-D399 PolarHBondContact N-O 2.63Å; T139-D399 HydrophobicContact CG2-CB 4.38Å; R165-D399 IonicContact CZ-OD2 2.77Å; R165-D399 IonicContact NE-OD2 2.66Å; R165-D399 PolarHBondContact NE-OD2 2.92Å; R165-D399 IonicContact NH2-OD1 2.63Å; R165-D399 PolarHBondContact NH2-OD1 3.41Å; R165-D399 IonicContact NH2-OD2 3.54Å; R165-D399 PolarHBondContact NH2-OD2 2.78Å; T389-D399 WeakPolarHBondContact CB-OD2 3.4Å; T389-D399 VanDerWaalsContact OG1-CB 3.28Å; T389-D399 WeakPolarHBondContact OG1-CB 3.4Å; T389-D399 VanDerWaalsContact OG1-CG 3.29Å; T389-D399 PolarHBondContact OG1-OD2 3.39Å; D397-D399 VanDerWaalsContact C-N 3.25Å; D397-D399 PolarHBondContact O-N 3.26Å; D399-F440 CarbonylContact C-O 3.55Å; D399-F440 VanDerWaalsContact CA-O 3.25Å; D399-F440 WeakPolarHBondContact CA-O 3.16Å; D399-V441 WeakPolarHBondContact OD1-CA 3.43Å; D399-A442 PolarHBondContact OD1-N 3.38Å
400A98.9Very high97.7Very high0 Ų027.7 Ų27.70%019%0.187CC..EExtended strand (participates in β ladder)trans-147.3153-166.400000113.1F76 M77 F392 F398 F440F76-A400 HydrophobicContact CD1-CB 3.96Å; F76-A400 HydrophobicContact CE1-CB 4.32Å; M77-A400 CarbonylContact O-C 3.56Å; M77-A400 WeakPolarHBondContact O-CA 3.11Å; F392-A400 HydrophobicContact CE1-CB 3.87Å; F392-A400 HydrophobicContact CZ-CB 4.33Å; F398-A400 HydrophobicContact CD1-CB 4Å; F398-A400 HydrophobicContact CD2-CB 4.13Å; F398-A400 HydrophobicContact CE1-CB 3.58Å; F398-A400 HydrophobicContact CE2-CB 3.7Å; F398-A400 HydrophobicContact CG-CB 4.28Å; F398-A400 HydrophobicContact CZ-CB 3.42Å; F398-A400 VanDerWaalsContact CZ-CB 3.42Å; A400-F440 HydrophobicContact CB-CB 4.45Å; A400-F440 PolarHBondContact N-O 3.21Å; A400-F440 PolarHBondContact O-N 3Å
401L98.9Very high97.6Very high0 Ų030 Ų300%020%0.202CC..EExtended strand (participates in β ladder)trans-113.4126.3173.3-48.4-178000108.9F76 M77 M80 G137 T139 V403 I436 V439F76-L401 VanDerWaalsContact CA-O 3.32Å; F76-L401 WeakPolarHBondContact CA-O 3.48Å; F76-L401 VanDerWaalsContact CD1-O 3.25Å; F76-L401 WeakPolarHBondContact CD1-O 3.42Å; M77-L401 HydrophobicContact CE-CD1 4.19Å; M77-L401 HydrophobicContact CG-CB 3.98Å; M77-L401 HydrophobicContact CG-CD1 4.24Å; M77-L401 HydrophobicContact CG-CG 4.38Å; M77-L401 PolarHBondContact N-O 3.3Å; M77-L401 PolarHBondContact O-N 3.23Å; M77-L401 HydrophobicContact SD-CD1 4.35Å; M80-L401 HydrophobicContact CE-CD1 3.63Å; M80-L401 HydrophobicContact CG-CD1 4.25Å; G137-L401 VanDerWaalsContact CA-CD2 3.41Å; G137-L401 WeakPolarHBondContact O-CD2 3.49Å; T139-L401 HydrophobicContact CG2-CD2 4.27Å; L401-V403 HydrophobicContact CB-CG2 4.19Å; L401-I436 HydrophobicContact CB-CG2 4.44Å; L401-I436 HydrophobicContact CD1-CD1 4.49Å; L401-I436 HydrophobicContact CD2-CG2 4.29Å; L401-V439 HydrophobicContact CD2-CB 4.25Å; L401-V439 HydrophobicContact CD2-CG1 3.83Å; L401-V439 HydrophobicContact CD2-CG2 3.8Å
402R98.6Very high97.6Very high39 Ų3930.3 Ų30.315%0.14720%0.204CC..EExtended strand (participates in β ladder)trans-87.6108.5163.6-172.3178.9171.2176.3-1.6107.9E74 F76 V437 E438E74-R402 IonicContact OE1-CZ 3.36Å; E74-R402 IonicContact OE1-NE 2.99Å; E74-R402 IonicContact OE1-NH2 3.46Å; E74-R402 PolarHBondContact OE1-NH2 3.2Å; E74-R402 IonicContact OE2-CZ 2.92Å; E74-R402 IonicContact OE2-NE 2.7Å; E74-R402 PolarHBondContact OE2-NE 3.13Å; E74-R402 IonicContact OE2-NH2 2.71Å; E74-R402 PolarHBondContact OE2-NH2 2.91Å; F76-R402 HydrophobicContact CD1-CB 4.15Å; F76-R402 HydrophobicContact CE1-CB 3.57Å; F76-R402 HydrophobicContact CE1-CG 4.3Å; F76-R402 HydrophobicContact CZ-CB 3.82Å; F76-R402 HydrophobicContact CZ-CG 4.13Å; R402-V437 PolarHBondContact O-N 3.27Å; R402-E438 HydrophobicContact CB-CB 3.92Å; R402-E438 HydrophobicContact CB-CG 4.42Å; R402-E438 VanDerWaalsContact CD-OE2 3.29Å; R402-E438 WeakPolarHBondContact CD-OE2 3.32Å; R402-E438 PolarHBondContact N-O 3.31Å; R402-E438 IonicContact NH1-OE2 2.67Å; R402-E438 PolarHBondContact NH1-OE2 3.42Å
403V98.7Very high97.4Very high0 Ų036.6 Ų36.60%024%0.237CC..EExtended strand (participates in β ladder)trans-97.5134.3179.81800000109E74 F75 M77 L401 V405 F427 N435E74-V403 WeakPolarHBondContact CA-O 3.29Å; E74-V403 WeakPolarHBondContact CB-O 3.28Å; F75-V403 HydrophobicContact CD1-CB 4.44Å; F75-V403 HydrophobicContact CD2-CB 4.16Å; F75-V403 HydrophobicContact CD2-CG2 4.47Å; F75-V403 HydrophobicContact CE1-CB 4.06Å; F75-V403 HydrophobicContact CE1-CG1 3.82Å; F75-V403 HydrophobicContact CE2-CB 3.74Å; F75-V403 HydrophobicContact CE2-CG1 4.14Å; F75-V403 HydrophobicContact CE2-CG2 3.86Å; F75-V403 HydrophobicContact CG-CB 4.49Å; F75-V403 HydrophobicContact CZ-CB 3.69Å; F75-V403 HydrophobicContact CZ-CG1 3.56Å; F75-V403 HydrophobicContact CZ-CG2 4.13Å; F75-V403 PolarHBondContact N-O 3.21Å; F75-V403 PolarHBondContact O-N 2.96Å; M77-V403 HydrophobicContact CG-CG2 4.1Å; M77-V403 HydrophobicContact SD-CG2 4.21Å; L401-V403 HydrophobicContact CB-CG2 4.19Å; V403-V405 HydrophobicContact CG1-CG1 4.13Å; V403-F427 HydrophobicContact CG1-CB 4.43Å; V403-F427 HydrophobicContact CG1-CD1 4.15Å; V403-F427 HydrophobicContact CG1-CD2 3.53Å; V403-F427 HydrophobicContact CG1-CE1 4.31Å; V403-F427 HydrophobicContact CG1-CE2 3.74Å; V403-F427 HydrophobicContact CG1-CG 3.75Å; V403-F427 HydrophobicContact CG1-CZ 4.11Å; V403-F427 HydrophobicContact CG2-CD1 4.35Å; V403-F427 HydrophobicContact CG2-CE1 3.87Å; V403-F427 HydrophobicContact CG2-CE2 4.26Å; V403-F427 HydrophobicContact CG2-CZ 3.82Å; V403-N435 CarbonylContact C-O 3.56Å; V403-N435 WeakPolarHBondContact CA-O 3.4Å; V403-N435 HydrophobicContact CG1-CB 4.38Å
404N98.2Very high97.1Very high29 Ų2935 Ų3516%0.15523%0.232CC..EExtended strand (participates in β ladder)trans-122.1108168.4-175.4-16000108.8E74 A406 A407 N435 V437E74-N404 HydrophobicContact CG-CB 3.85Å; E74-N404 PolarHBondContact OE1-ND2 2.93Å; E74-N404 VanDerWaalsContact OE1-ND2 3.11Å; N404-A406 PolarHBondContact O-N 3.41Å; N404-A406 WeakPolarHBondContact OD1-CA 3.33Å; N404-A406 WeakPolarHBondContact OD1-CB 3.35Å; N404-A406 PolarHBondContact OD1-N 3.23Å; N404-A407 HydrophobicContact CB-CB 4.27Å; N404-A407 VanDerWaalsContact O-CB 3.3Å; N404-A407 WeakPolarHBondContact O-CB 3.39Å; N404-A407 PolarHBondContact O-N 3.21Å; N404-A407 PolarHBondContact OD1-N 3.34Å; N404-N435 PolarHBondContact N-O 3.03Å; N404-N435 PolarHBondContact O-ND2 3.42Å; N404-V437 HydrophobicContact CB-CG2 3.47Å; N404-V437 VanDerWaalsContact CB-CG2 3.47Å
405V97.4Very high96.7Very high1 Ų138.2 Ų38.21%0.00624%0.244CC..THydrogen-bonded Turntrans-75.5-14.2-179.6-61.70000112.7H73 F75 V403 I412 L414 L423 F427H73-V405 HydrophobicContact CB-CG2 3.92Å; H73-V405 WeakPolarHBondContact O-CG2 3.37Å; H73-V405 PolarHBondContact O-N 3.48Å; H73-V405 VanDerWaalsContact O-N 3.1Å; F75-V405 HydrophobicContact CE1-CG1 3.89Å; V403-V405 HydrophobicContact CG1-CG1 4.13Å; V405-I412 HydrophobicContact CB-CD1 4.06Å; V405-I412 HydrophobicContact CG1-CD1 4.03Å; V405-L414 HydrophobicContact CG2-CD1 4.2Å; V405-L414 HydrophobicContact CG2-CD2 4.12Å; V405-L423 HydrophobicContact CG2-CB 4.37Å; V405-L423 HydrophobicContact CG2-CD1 4.3Å; V405-L423 HydrophobicContact CG2-CD2 4.1Å; V405-L423 HydrophobicContact CG2-CG 4.48Å; V405-F427 HydrophobicContact CG1-CB 4.01Å
406A96.3Very high96.2Very high45 Ų4542.6 Ų42.637%0.37225%0.254SS..THydrogen-bonded Turntrans-98.116.4172.700000112.7H73 N404 L414H73-A406 HydrophobicContact CB-CB 3.87Å; N404-A406 PolarHBondContact O-N 3.41Å; N404-A406 WeakPolarHBondContact OD1-CA 3.33Å; N404-A406 WeakPolarHBondContact OD1-CB 3.35Å; N404-A406 PolarHBondContact OD1-N 3.23Å; A406-L414 HydrophobicContact CB-CD1 3.7Å
407A96.1Very high95.6Very high11 Ų1148.1 Ų48.19%0.09128%0.284CS..  trans-57.2132.9-178.200000111.3N404 G409 G410 R434N404-A407 HydrophobicContact CB-CB 4.27Å; N404-A407 VanDerWaalsContact O-CB 3.3Å; N404-A407 WeakPolarHBondContact O-CB 3.39Å; N404-A407 PolarHBondContact O-N 3.21Å; N404-A407 PolarHBondContact OD1-N 3.34Å; A407-G409 PolarHBondContact O-N 3.32Å; A407-G410 PolarHBondContact O-N 2.98Å; A407-R434 VanDerWaalsContact CB-O 3.23Å; A407-R434 WeakPolarHBondContact CB-O 3.45Å
408P93.9Very high95.3Very high128 Ų12849.8 Ų49.883%0.83129%0.291SS*.THydrogen-bonded Turntrans-55.2128.3179.1-27.134.8000112.4G410P408-G410 PolarHBondContact O-N 2.89Å
409G93.5Very high95.2Very high56 Ų5657.4 Ų57.458%0.57732%0.324SS*.THydrogen-bonded Turntrans73.86.5-177.900000114.5A407 R434A407-G409 PolarHBondContact O-N 3.32Å; G409-R434 VanDerWaalsContact O-CD 3.28Å; G409-R434 WeakPolarHBondContact O-CD 3.28Å; G409-R434 VanDerWaalsContact O-CZ 3.27Å; G409-R434 PolarHBondContact O-NE 2.91Å; G409-R434 PolarHBondContact O-NH1 3.05Å
410G95.4Very high95Very high20 Ų2058 Ų5821%0.20633%0.328CS..  trans-69.4161.3170.700000112.7A407 P408 I412A407-G410 PolarHBondContact O-N 2.98Å; P408-G410 PolarHBondContact O-N 2.89Å; G410-I412 VanDerWaalsContact C-N 3.31Å; G410-I412 PolarHBondContact O-N 3.13Å
411P97.4Very high94.9Very high49 Ų4961.9 Ų61.932%0.31835%0.346SS..SBendtrans-82.12.4-175.634.2-38.6000115L430 D432 N435P411-L430 WeakPolarHBondContact CG-O 3.33Å; P411-D432 WeakPolarHBondContact CG-OD2 3.39Å; P411-N435 VanDerWaalsContact CD-OD1 3.29Å; P411-N435 WeakPolarHBondContact CD-OD1 3.48Å
412I97.4Very high94.8Very high12 Ų1264.9 Ų64.96%0.06236%0.362CS..  trans-106.7118.3-171.8-53177.2000110.1V405 G410 L414 K426 F427 L430V405-I412 HydrophobicContact CB-CD1 4.06Å; V405-I412 HydrophobicContact CG1-CD1 4.03Å; G410-I412 VanDerWaalsContact C-N 3.31Å; G410-I412 PolarHBondContact O-N 3.13Å; I412-L414 HydrophobicContact CG2-CD2 4.22Å; I412-K426 HydrophobicContact CG2-CB 4.3Å; I412-K426 HydrophobicContact CG2-CD 4.2Å; I412-F427 HydrophobicContact CD1-CB 4.33Å; I412-L430 HydrophobicContact CG1-CB 4Å
413D94.9Very high94.8Very high133 Ų13363.5 Ų63.571%0.71136%0.357SS*.  trans-89.7123.4172.2-64.7-51.1000111.2
414L91.6Very high94.8Very high55 Ų5563.5 Ų63.529%0.28836%0.357SS..  trans-97104.4174.7-60.6-179.4000109.9H73 V405 A406 I412 L423H73-L414 HydrophobicContact CB-CD1 4.12Å; V405-L414 HydrophobicContact CG2-CD1 4.2Å; V405-L414 HydrophobicContact CG2-CD2 4.12Å; A406-L414 HydrophobicContact CB-CD1 3.7Å; I412-L414 HydrophobicContact CG2-CD2 4.22Å; L414-L423 HydrophobicContact CD2-CD2 4.11Å
415I89.8Confident94.7Very high155 Ų15565.3 Ų65.380%0.79537%0.365SS*.  trans-88.7-35.5-179.3-57.4175.6000111.3
416Q88.4Confident94.8Very high133 Ų13367.5 Ų67.562%0.62137%0.374SS*.SBendtrans-142.2167.2-176.866-1742.700110.4E418Q416-E418 HydrophobicContact CG-CG 4.01Å; Q416-E418 PolarHBondContact O-N 2.98Å
417N86.5Confident94.9Very high128 Ų12865.4 Ų65.468%0.68436%0.357SS*.  trans-70120172-73.9-14.6000109.8
418E92.8Very high95Very high46 Ų4665 Ų6522%0.21535%0.353CS..  trans-115.5152-178.1-72.6177.6165.700111.1Q416 I422 L423 K426Q416-E418 HydrophobicContact CG-CG 4.01Å; Q416-E418 PolarHBondContact O-N 2.98Å; E418-I422 HydrophobicContact CB-CB 4.18Å; E418-I422 HydrophobicContact CB-CG2 4.09Å; E418-I422 HydrophobicContact CG-CG2 4.11Å; E418-I422 WeakPolarHBondContact OE2-CG2 3.1Å; E418-L423 HydrophobicContact CB-CD2 3.71Å; E418-L423 HydrophobicContact CB-CG 4.38Å; E418-K426 VanDerWaalsContact OE1-CE 3.3Å; E418-K426 WeakPolarHBondContact OE1-CE 3.48Å; E418-K426 IonicContact OE1-NZ 3.31Å; E418-K426 PolarHBondContact OE1-NZ 2.82Å; E418-K426 VanDerWaalsContact OE2-CD 3.29Å; E418-K426 WeakPolarHBondContact OE2-CD 3.45Å; E418-K426 WeakPolarHBondContact OE2-CE 3.34Å; E418-K426 IonicContact OE2-NZ 3.95Å; E418-K426 PolarHBondContact OE2-NZ 3.16Å
419K94.9Very high95.2Very high161 Ų16161.9 Ų61.970%0.733%0.329SS*.  trans-69.5153176.5-64.7-175.6179-176.90110.5Q421 I422 L423K419-Q421 PolarHBondContact O-N 3.47Å; K419-Q421 VanDerWaalsContact O-N 3.09Å; K419-I422 PolarHBondContact O-N 3.07Å; K419-L423 PolarHBondContact O-N 3.21Å; K419-L423 VanDerWaalsContact O-N 3.12Å
420P95.9Very high95.4Very high17 Ų1763.6 Ų63.611%0.1133%0.325CS..Hα-helixtrans-51.4-36.1179.5-32.338000115.6T18 I30 E32 I422 L423 L424T18-P420 HydrophobicContact CG2-CB 3.88Å; T18-P420 HydrophobicContact CG2-CG 4.07Å; I30-P420 HydrophobicContact CD1-CB 4.3Å; I30-P420 HydrophobicContact CG2-CB 3.78Å; I30-P420 HydrophobicContact CG2-CG 4.34Å; E32-P420 HydrophobicContact CG-CG 4.06Å; P420-I422 VanDerWaalsContact C-N 3.33Å; P420-I422 PolarHBondContact O-N 3.37Å; P420-L423 PolarHBondContact O-N 3.03Å; P420-L424 PolarHBondContact O-N 3.21Å
421Q96.9Very high95.6Very high82 Ų8262.7 Ų62.738%0.38332%0.316SS..Hα-helixtrans-59.8-42.9176.6-174.1176.2300112.1L28 I30 F368 E369 K419 L424 E425L28-Q421 HydrophobicContact CD2-CG 4.06Å; I30-Q421 HydrophobicContact CD1-CB 3.61Å; I30-Q421 HydrophobicContact CD1-CG 4.32Å; F368-Q421 HydrophobicContact CE2-CG 4.47Å; F368-Q421 HydrophobicContact CZ-CG 3.76Å; E369-Q421 PolarHBondContact OE1-NE2 3.38Å; K419-Q421 PolarHBondContact O-N 3.47Å; K419-Q421 VanDerWaalsContact O-N 3.09Å; Q421-L424 PolarHBondContact O-N 3.33Å; Q421-E425 PolarHBondContact O-N 3.46Å
422I96.8Very high95.6Very high63 Ų6362 Ų6232%0.32331%0.309SS..Hα-helixtrans-71.4-37178.4-57.6-60.1000110.5E418 K419 P420 L424 E425 K426E418-I422 HydrophobicContact CB-CB 4.18Å; E418-I422 HydrophobicContact CB-CG2 4.09Å; E418-I422 HydrophobicContact CG-CG2 4.11Å; E418-I422 WeakPolarHBondContact OE2-CG2 3.1Å; K419-I422 PolarHBondContact O-N 3.07Å; P420-I422 VanDerWaalsContact C-N 3.33Å; P420-I422 PolarHBondContact O-N 3.37Å; I422-L424 VanDerWaalsContact C-N 3.33Å; I422-L424 PolarHBondContact O-N 2.99Å; I422-E425 PolarHBondContact O-N 3.19Å; I422-K426 WeakPolarHBondContact O-CB 3.17Å; I422-K426 WeakPolarHBondContact O-CG 3.27Å; I422-K426 PolarHBondContact O-N 3.47Å
423L97.4Very high95.7Very high10 Ų1064.1 Ų64.15%0.05232%0.32CS..Hα-helixtrans-62.4-42.3174.7-58.7-174.2000111.3F75 V405 L414 E418 K419 P420 F427F75-L423 HydrophobicContact CE1-CB 4.4Å; V405-L423 HydrophobicContact CG2-CB 4.37Å; V405-L423 HydrophobicContact CG2-CD1 4.3Å; V405-L423 HydrophobicContact CG2-CD2 4.1Å; V405-L423 HydrophobicContact CG2-CG 4.48Å; L414-L423 HydrophobicContact CD2-CD2 4.11Å; E418-L423 HydrophobicContact CB-CD2 3.71Å; E418-L423 HydrophobicContact CB-CG 4.38Å; K419-L423 PolarHBondContact O-N 3.21Å; K419-L423 VanDerWaalsContact O-N 3.12Å; P420-L423 PolarHBondContact O-N 3.03Å; L423-F427 WeakPolarHBondContact O-CB 3.31Å; L423-F427 PolarHBondContact O-N 3.4Å
424L98.3Very high95.8Very high0 Ų064 Ų640%031%0.31CS..Hα-helixtrans-60.9-50.3173.1177.870.8000110.8V20 L28 F75 M77 F368 F372 P420 Q421 I422 K426 F427 L428V20-L424 HydrophobicContact CG1-CD1 4.14Å; V20-L424 HydrophobicContact CG1-CD2 3.52Å; V20-L424 HydrophobicContact CG1-CG 4.29Å; L28-L424 HydrophobicContact CD1-CD2 3.56Å; L28-L424 HydrophobicContact CD2-CD2 4.02Å; L28-L424 HydrophobicContact CG-CD2 4.48Å; F75-L424 HydrophobicContact CE2-CD1 3.82Å; F75-L424 HydrophobicContact CZ-CB 4.49Å; F75-L424 HydrophobicContact CZ-CD1 3.99Å; M77-L424 HydrophobicContact SD-CD1 4.35Å; F368-L424 HydrophobicContact CE2-CD2 4.27Å; F372-L424 HydrophobicContact CD2-CD1 4.2Å; F372-L424 HydrophobicContact CD2-CD2 4.33Å; F372-L424 HydrophobicContact CE2-CD1 3.92Å; F372-L424 HydrophobicContact CE2-CD2 4.39Å; F372-L424 HydrophobicContact CG-CD2 4.45Å; P420-L424 PolarHBondContact O-N 3.21Å; Q421-L424 PolarHBondContact O-N 3.33Å; I422-L424 VanDerWaalsContact C-N 3.33Å; I422-L424 PolarHBondContact O-N 2.99Å; L424-K426 VanDerWaalsContact C-N 3.33Å; L424-K426 PolarHBondContact O-N 2.92Å; L424-F427 WeakPolarHBondContact O-CB 3.45Å; L424-F427 PolarHBondContact O-N 2.95Å; L424-F427 VanDerWaalsContact O-N 3.09Å; L424-L428 HydrophobicContact CD1-CD1 4.34Å; L424-L428 HydrophobicContact CD1-CG 4.26Å; L424-L428 HydrophobicContact CD2-CD1 4.47Å; L424-L428 HydrophobicContact CG-CD1 4.04Å; L424-L428 HydrophobicContact CG-CG 4.31Å; L424-L428 WeakPolarHBondContact O-CG 3.39Å; L424-L428 PolarHBondContact O-N 3.29Å
425E98.1Very high96.2Very high67 Ų6761.3 Ų61.331%0.31330%0.296SS..Hα-helixtrans-60.7-42.2-178.6-173.5175.7-165.100111.9F368 Q421 I422 L428 N429F368-E425 HydrophobicContact CD1-CG 4.07Å; F368-E425 HydrophobicContact CD2-CB 4.33Å; F368-E425 HydrophobicContact CD2-CG 4.39Å; F368-E425 HydrophobicContact CE1-CB 4.42Å; F368-E425 HydrophobicContact CE1-CG 4.26Å; F368-E425 HydrophobicContact CE2-CB 4.15Å; F368-E425 HydrophobicContact CG-CG 4.14Å; F368-E425 HydrophobicContact CZ-CB 4.2Å; Q421-E425 PolarHBondContact O-N 3.46Å; I422-E425 PolarHBondContact O-N 3.19Å; E425-L428 PolarHBondContact O-N 3.36Å; E425-N429 WeakPolarHBondContact CG-ND2 3.47Å; E425-N429 WeakPolarHBondContact O-CB 3.48Å; E425-N429 PolarHBondContact O-N 3.11Å; E425-N429 PolarHBondContact O-ND2 3.24Å
426K98.1Very high96.6Very high47 Ų4754.3 Ų54.320%0.20426%0.26CS..Hα-helixtrans-61.8-42.9172.1-78.2-172.4175.3178.10112.1I412 E418 I422 L424 N429 L430I412-K426 HydrophobicContact CG2-CB 4.3Å; I412-K426 HydrophobicContact CG2-CD 4.2Å; E418-K426 VanDerWaalsContact OE1-CE 3.3Å; E418-K426 WeakPolarHBondContact OE1-CE 3.48Å; E418-K426 IonicContact OE1-NZ 3.31Å; E418-K426 PolarHBondContact OE1-NZ 2.82Å; E418-K426 VanDerWaalsContact OE2-CD 3.29Å; E418-K426 WeakPolarHBondContact OE2-CD 3.45Å; E418-K426 WeakPolarHBondContact OE2-CE 3.34Å; E418-K426 IonicContact OE2-NZ 3.95Å; E418-K426 PolarHBondContact OE2-NZ 3.16Å; I422-K426 WeakPolarHBondContact O-CB 3.17Å; I422-K426 WeakPolarHBondContact O-CG 3.27Å; I422-K426 PolarHBondContact O-N 3.47Å; L424-K426 VanDerWaalsContact C-N 3.33Å; L424-K426 PolarHBondContact O-N 2.92Å; K426-N429 PolarHBondContact O-N 3.17Å; K426-L430 WeakPolarHBondContact O-CA 3.47Å; K426-L430 VanDerWaalsContact O-CB 3.28Å; K426-L430 WeakPolarHBondContact O-CB 3.49Å; K426-L430 PolarHBondContact O-N 3.3Å
427F98.6Very high97Very high0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-60.8-46.2175.9170.9-110.1000112F75 M77 L343 V403 V405 I412 L423 L424 N429 G431 N435 I436F75-F427 HydrophobicContact CZ-CB 4.09Å; F75-F427 HydrophobicContact CZ-CD1 4.01Å; F75-F427 HydrophobicContact CZ-CG 4.16Å; M77-F427 HydrophobicContact SD-CD1 4.14Å; M77-F427 HydrophobicContact SD-CE1 3.61Å; L343-F427 HydrophobicContact CD1-CE2 4.07Å; L343-F427 HydrophobicContact CD1-CZ 3.84Å; L343-F427 HydrophobicContact CD2-CD1 4.41Å; L343-F427 HydrophobicContact CD2-CE1 3.78Å; L343-F427 HydrophobicContact CD2-CZ 3.95Å; L343-F427 HydrophobicContact CG-CZ 4.48Å; V403-F427 HydrophobicContact CG1-CB 4.43Å; V403-F427 HydrophobicContact CG1-CD1 4.15Å; V403-F427 HydrophobicContact CG1-CD2 3.53Å; V403-F427 HydrophobicContact CG1-CE1 4.31Å; V403-F427 HydrophobicContact CG1-CE2 3.74Å; V403-F427 HydrophobicContact CG1-CG 3.75Å; V403-F427 HydrophobicContact CG1-CZ 4.11Å; V403-F427 HydrophobicContact CG2-CD1 4.35Å; V403-F427 HydrophobicContact CG2-CE1 3.87Å; V403-F427 HydrophobicContact CG2-CE2 4.26Å; V403-F427 HydrophobicContact CG2-CZ 3.82Å; V405-F427 HydrophobicContact CG1-CB 4.01Å; I412-F427 HydrophobicContact CD1-CB 4.33Å; L423-F427 WeakPolarHBondContact O-CB 3.31Å; L423-F427 PolarHBondContact O-N 3.4Å; L424-F427 WeakPolarHBondContact O-CB 3.45Å; L424-F427 PolarHBondContact O-N 2.95Å; L424-F427 VanDerWaalsContact O-N 3.09Å; F427-N429 VanDerWaalsContact C-N 3.34Å; F427-N429 PolarHBondContact O-N 3.03Å; F427-G431 VanDerWaalsContact O-CA 3.24Å; F427-G431 WeakPolarHBondContact O-CA 3.46Å; F427-G431 PolarHBondContact O-N 3.42Å; F427-N435 HydrophobicContact CD2-CB 3.92Å; F427-N435 HydrophobicContact CE2-CB 3.79Å; F427-I436 HydrophobicContact CE2-CG1 4.13Å; F427-I436 HydrophobicContact CZ-CD1 4.21Å; F427-I436 HydrophobicContact CZ-CG1 3.94Å
428L98.5Very high97.6Very high2 Ų246 Ų461%0.0122%0.221CC..Hα-helixtrans-61.7-42178.4-66.2176.8000111.6L343 V346 R347 F368 F372 L424 E425L343-L428 HydrophobicContact CD2-CD2 3.91Å; V346-L428 HydrophobicContact CG1-CB 4.31Å; V346-L428 HydrophobicContact CG1-CD2 4.46Å; R347-L428 PolarHBondContact NE-O 2.93Å; R347-L428 PolarHBondContact NH2-O 3.36Å; R347-L428 VanDerWaalsContact NH2-O 3.07Å; F368-L428 HydrophobicContact CD2-CD1 4.12Å; F372-L428 HydrophobicContact CB-CD1 4.05Å; F372-L428 HydrophobicContact CD2-CD1 4.15Å; F372-L428 HydrophobicContact CD2-CD2 4.27Å; F372-L428 HydrophobicContact CG-CD1 4.49Å; L424-L428 HydrophobicContact CD1-CD1 4.34Å; L424-L428 HydrophobicContact CD1-CG 4.26Å; L424-L428 HydrophobicContact CD2-CD1 4.47Å; L424-L428 HydrophobicContact CG-CD1 4.04Å; L424-L428 HydrophobicContact CG-CG 4.31Å; L424-L428 WeakPolarHBondContact O-CG 3.39Å; L424-L428 PolarHBondContact O-N 3.29Å; E425-L428 PolarHBondContact O-N 3.36Å
429N98.1Very high97.9Very high63 Ų6343.8 Ų43.834%0.33721%0.211SC..Hα-helixtrans-81.5-34.5-177-74-65.1000114.6R347 E425 K426 F427R347-N429 VanDerWaalsContact CZ-O 3.27Å; R347-N429 PolarHBondContact NE-O 3.09Å; R347-N429 VanDerWaalsContact NE-O 3.13Å; R347-N429 PolarHBondContact NH2-O 3.05Å; E425-N429 WeakPolarHBondContact CG-ND2 3.47Å; E425-N429 WeakPolarHBondContact O-CB 3.48Å; E425-N429 PolarHBondContact O-N 3.11Å; E425-N429 PolarHBondContact O-ND2 3.24Å; K426-N429 PolarHBondContact O-N 3.17Å; F427-N429 VanDerWaalsContact C-N 3.34Å; F427-N429 PolarHBondContact O-N 3.03Å
430L98.3Very high98.1Very high93 Ų9336.7 Ų36.749%0.48718%0.18SC..Hα-helixtrans-118.8-28.4-170-58.1175.6000113.6P411 I412 K426P411-L430 WeakPolarHBondContact CG-O 3.33Å; I412-L430 HydrophobicContact CG1-CB 4Å; K426-L430 WeakPolarHBondContact O-CA 3.47Å; K426-L430 VanDerWaalsContact O-CB 3.28Å; K426-L430 WeakPolarHBondContact O-CB 3.49Å; K426-L430 PolarHBondContact O-N 3.3Å
431G98.3Very high98.2Very high1 Ų135.9 Ų35.91%0.0118%0.175CC..  trans-66162.7-171.100000114.8R347 F427 N435R347-G431 PolarHBondContact NH2-O 3.13Å; F427-G431 VanDerWaalsContact O-CA 3.24Å; F427-G431 WeakPolarHBondContact O-CA 3.46Å; F427-G431 PolarHBondContact O-N 3.42Å; G431-N435 VanDerWaalsContact CA-OD1 3.24Å; G431-N435 WeakPolarHBondContact CA-OD1 3.45Å
432D98.6Very high98.3Very high33 Ų3332.7 Ų32.718%0.17616%0.162CC..  trans-148.1-166.8173.960.942.6000111.8P411 R434 N435P411-D432 WeakPolarHBondContact CG-OD2 3.39Å; D432-R434 PolarHBondContact O-N 3.21Å; D432-R434 WeakPolarHBondContact OD1-CB 3.36Å; D432-R434 WeakPolarHBondContact OD1-CG 3.27Å; D432-R434 IonicContact OD1-CZ 2.69Å; D432-R434 PolarHBondContact OD1-N 3.12Å; D432-R434 IonicContact OD1-NE 3.43Å; D432-R434 PolarHBondContact OD1-NE 3.35Å; D432-R434 IonicContact OD1-NH2 3.74Å; D432-R434 IonicContact OD2-CZ 3.19Å; D432-R434 VanDerWaalsContact OD2-CZ 3.25Å; D432-R434 IonicContact OD2-NE 3.24Å; D432-R434 PolarHBondContact OD2-NE 3.45Å; D432-R434 VanDerWaalsContact OD2-NE 3.13Å; D432-R434 IonicContact OD2-NH2 2.9Å; D432-R434 PolarHBondContact OD2-NH2 3.11Å; D432-N435 PolarHBondContact N-OD1 3.5Å; D432-N435 VanDerWaalsContact N-OD1 3.15Å; D432-N435 PolarHBondContact O-N 3.32Å
433D98.1Very high98.3Very high57 Ų5729.8 Ų29.831%0.30515%0.148SC..G310 helixtrans-58.2-21.8-177.362.8-79.5000113.8R135 N435 I436R135-D433 WeakPolarHBondContact O-CB 3.39Å; D433-N435 VanDerWaalsContact C-N 3.29Å; D433-N435 PolarHBondContact O-N 3.47Å; D433-I436 PolarHBondContact O-N 3.33Å
434R98.3Very high98.3Very high130 Ų13035.6 Ų35.649%0.49117%0.173SC..G310 helixtrans-69.8-27.5176-60.9171.1-77.1-172.3-11.5112.6A407 G409 D432 I436A407-R434 VanDerWaalsContact CB-O 3.23Å; A407-R434 WeakPolarHBondContact CB-O 3.45Å; G409-R434 VanDerWaalsContact O-CD 3.28Å; G409-R434 WeakPolarHBondContact O-CD 3.28Å; G409-R434 VanDerWaalsContact O-CZ 3.27Å; G409-R434 PolarHBondContact O-NE 2.91Å; G409-R434 PolarHBondContact O-NH1 3.05Å; D432-R434 PolarHBondContact O-N 3.21Å; D432-R434 WeakPolarHBondContact OD1-CB 3.36Å; D432-R434 WeakPolarHBondContact OD1-CG 3.27Å; D432-R434 IonicContact OD1-CZ 2.69Å; D432-R434 PolarHBondContact OD1-N 3.12Å; D432-R434 IonicContact OD1-NE 3.43Å; D432-R434 PolarHBondContact OD1-NE 3.35Å; D432-R434 IonicContact OD1-NH2 3.74Å; D432-R434 IonicContact OD2-CZ 3.19Å; D432-R434 VanDerWaalsContact OD2-CZ 3.25Å; D432-R434 IonicContact OD2-NE 3.24Å; D432-R434 PolarHBondContact OD2-NE 3.45Å; D432-R434 VanDerWaalsContact OD2-NE 3.13Å; D432-R434 IonicContact OD2-NH2 2.9Å; D432-R434 PolarHBondContact OD2-NH2 3.11Å; R434-I436 VanDerWaalsContact C-N 3.34Å
435N98.6Very high98.3Very high0 Ų040.8 Ų40.80%020%0.195CC..G310 helixtrans-81.2-16.1175.7-62.1112.4000112.7V403 N404 P411 F427 G431 D432 D433 V437V403-N435 CarbonylContact C-O 3.56Å; V403-N435 WeakPolarHBondContact CA-O 3.4Å; V403-N435 HydrophobicContact CG1-CB 4.38Å; N404-N435 PolarHBondContact N-O 3.03Å; N404-N435 PolarHBondContact O-ND2 3.42Å; P411-N435 VanDerWaalsContact CD-OD1 3.29Å; P411-N435 WeakPolarHBondContact CD-OD1 3.48Å; F427-N435 HydrophobicContact CD2-CB 3.92Å; F427-N435 HydrophobicContact CE2-CB 3.79Å; G431-N435 VanDerWaalsContact CA-OD1 3.24Å; G431-N435 WeakPolarHBondContact CA-OD1 3.45Å; D432-N435 PolarHBondContact N-OD1 3.5Å; D432-N435 VanDerWaalsContact N-OD1 3.15Å; D432-N435 PolarHBondContact O-N 3.32Å; D433-N435 VanDerWaalsContact C-N 3.29Å; D433-N435 PolarHBondContact O-N 3.47Å; N435-V437 PolarHBondContact O-N 2.7Å
436I98.6Very high98.3Very high8 Ų838.5 Ų38.54%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-9291.4-179.2-56.5174.9000108.1M80 N136 L401 F427 D433 R434 V439M80-I436 HydrophobicContact CE-CD1 4.22Å; N136-I436 VanDerWaalsContact C-CD1 3.42Å; N136-I436 WeakPolarHBondContact O-CD1 3.46Å; L401-I436 HydrophobicContact CB-CG2 4.44Å; L401-I436 HydrophobicContact CD1-CD1 4.49Å; L401-I436 HydrophobicContact CD2-CG2 4.29Å; F427-I436 HydrophobicContact CE2-CG1 4.13Å; F427-I436 HydrophobicContact CZ-CD1 4.21Å; F427-I436 HydrophobicContact CZ-CG1 3.94Å; D433-I436 PolarHBondContact O-N 3.33Å; R434-I436 VanDerWaalsContact C-N 3.34Å; I436-V439 HydrophobicContact CG2-CG2 3.49Å; I436-V439 VanDerWaalsContact CG2-CG2 3.49Å
437V97.6Very high98.3Very high56 Ų5636.9 Ų36.934%0.33918%0.18SC..EExtended strand (participates in β ladder)trans-76.3-38.2-171.5-171.30000111.5R402 N404 N435R402-V437 PolarHBondContact O-N 3.27Å; N404-V437 HydrophobicContact CB-CG2 3.47Å; N404-V437 VanDerWaalsContact CB-CG2 3.47Å; N435-V437 PolarHBondContact O-N 2.7Å
438E98.4Very high98.2Very high30 Ų3041 Ų4114%0.1421%0.207CC..EExtended strand (participates in β ladder)trans-139.8141179.7-54-178.6139.300110.6R402 F440 K445 V447R402-E438 HydrophobicContact CB-CB 3.92Å; R402-E438 HydrophobicContact CB-CG 4.42Å; R402-E438 VanDerWaalsContact CD-OE2 3.29Å; R402-E438 WeakPolarHBondContact CD-OE2 3.32Å; R402-E438 PolarHBondContact N-O 3.31Å; R402-E438 IonicContact NH1-OE2 2.67Å; R402-E438 PolarHBondContact NH1-OE2 3.42Å; E438-F440 HydrophobicContact CB-CD2 4.36Å; E438-F440 HydrophobicContact CB-CE2 3.61Å; E438-F440 HydrophobicContact CB-CZ 4.22Å; E438-K445 HydrophobicContact CG-CD 4.47Å; E438-K445 WeakPolarHBondContact OE1-CE 3.11Å; E438-K445 IonicContact OE1-NZ 2.65Å; E438-K445 PolarHBondContact OE1-NZ 2.66Å; E438-K445 IonicContact OE2-NZ 3.9Å; E438-V447 WeakPolarHBondContact CA-O 3.41Å
439V98.9Very high97.9Very high0 Ų042.8 Ų42.80%021%0.214CC..EExtended strand (participates in β ladder)trans-122.3129.9173.3-178.10000108.8L134 T139 L401 I436 K445 V446 V447L134-V439 WeakPolarHBondContact O-CG2 3.15Å; T139-V439 HydrophobicContact CG2-CG1 3.69Å; L401-V439 HydrophobicContact CD2-CB 4.25Å; L401-V439 HydrophobicContact CD2-CG1 3.83Å; L401-V439 HydrophobicContact CD2-CG2 3.8Å; I436-V439 HydrophobicContact CG2-CG2 3.49Å; I436-V439 VanDerWaalsContact CG2-CG2 3.49Å; V439-K445 CarbonylContact O-C 3.59Å; V439-K445 WeakPolarHBondContact O-CA 3.31Å; V439-V446 HydrophobicContact CB-CG2 4.14Å; V439-V446 HydrophobicContact CG1-CG2 3.88Å; V439-V446 WeakPolarHBondContact O-CG2 3.5Å; V439-V446 PolarHBondContact O-N 3.06Å; V439-V447 HydrophobicContact CB-CB 3.72Å; V439-V447 HydrophobicContact CB-CG2 3.85Å; V439-V447 HydrophobicContact CG2-CB 3.79Å; V439-V447 HydrophobicContact CG2-CG1 4.42Å; V439-V447 HydrophobicContact CG2-CG2 3.96Å; V439-V447 PolarHBondContact N-O 2.93Å; V439-V447 VanDerWaalsContact N-O 3.1Å; V439-V447 PolarHBondContact O-N 3.37Å
440F98.8Very high97.1Very high11 Ų1145.3 Ų45.35%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-114.8138.1177.6-61.7-99.1000110F13 F76 T139 F398 D399 A400 E438 K444 K445F13-F440 HydrophobicContact CE1-CE1 4.38Å; F13-F440 HydrophobicContact CZ-CD1 4.18Å; F13-F440 HydrophobicContact CZ-CE1 4.11Å; F76-F440 HydrophobicContact CE1-CD2 4.01Å; F76-F440 AromaticContact CE1-CE2 3.79Å; F76-F440 HydrophobicContact CE1-CE2 3.79Å; F76-F440 AromaticContact CZ-CE2 3.95Å; F76-F440 HydrophobicContact CZ-CE2 3.95Å; T139-F440 WeakPolarHBondContact CG2-O 3.34Å; F398-F440 HydrophobicContact CD1-CB 3.72Å; F398-F440 HydrophobicContact CD1-CD1 4.23Å; F398-F440 AromaticContact CD1-CG 3.96Å; F398-F440 HydrophobicContact CD1-CG 3.96Å; F398-F440 HydrophobicContact CE1-CB 3.87Å; F398-F440 HydrophobicContact CE1-CD1 4.07Å; F398-F440 AromaticContact CE1-CD2 3.92Å; F398-F440 HydrophobicContact CE1-CD2 3.92Å; F398-F440 HydrophobicContact CE1-CE2 4.48Å; F398-F440 AromaticContact CE1-CG 3.69Å; F398-F440 HydrophobicContact CE1-CG 3.69Å; D399-F440 CarbonylContact C-O 3.55Å; D399-F440 VanDerWaalsContact CA-O 3.25Å; D399-F440 WeakPolarHBondContact CA-O 3.16Å; A400-F440 HydrophobicContact CB-CB 4.45Å; A400-F440 PolarHBondContact N-O 3.21Å; A400-F440 PolarHBondContact O-N 3Å; E438-F440 HydrophobicContact CB-CD2 4.36Å; E438-F440 HydrophobicContact CB-CE2 3.61Å; E438-F440 HydrophobicContact CB-CZ 4.22Å; F440-K444 CarbonylContact C-O 3.59Å; F440-K444 VanDerWaalsContact CA-O 3.23Å; F440-K444 WeakPolarHBondContact CA-O 3.3Å; F440-K445 HydrophobicContact CD1-CB 4.02Å; F440-K445 HydrophobicContact CE1-CB 3.81Å; F440-K445 HydrophobicContact CE1-CG 4.2Å; F440-K445 HydrophobicContact CZ-CB 4.43Å; F440-K445 HydrophobicContact CZ-CG 4.33Å
441V98.8Very high95.2Very high1 Ų149.5 Ų49.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-132.4124.7170-173.50000108L134 T139 G163 R165 L208 D399 G443 K444 V446L134-V441 HydrophobicContact CD2-CG2 4.41Å; T139-V441 HydrophobicContact CG2-CG2 3.87Å; G163-V441 VanDerWaalsContact O-CB 3.31Å; G163-V441 WeakPolarHBondContact O-CB 3.46Å; G163-V441 WeakPolarHBondContact O-CG1 3.39Å; R165-V441 HydrophobicContact CB-CG1 4.2Å; L208-V441 HydrophobicContact CD1-CG1 3.82Å; D399-V441 WeakPolarHBondContact OD1-CA 3.43Å; V441-G443 PolarHBondContact O-N 3.09Å; V441-K444 PolarHBondContact N-O 2.89Å; V441-K444 WeakPolarHBondContact O-CB 3.22Å; V441-K444 PolarHBondContact O-N 3.09Å; V441-V446 HydrophobicContact CB-CG1 4.39Å; V441-V446 HydrophobicContact CG2-CG1 4.42Å; V441-V446 HydrophobicContact CG2-CG2 3.74Å
442A98.3Very high92.8Very high15 Ų1559.2 Ų59.212%0.12432%0.317CS..THydrogen-bonded Turntrans46.346.9-173.400000112.2G42 L208 D397 F398 D399 K444G42-A442 VanDerWaalsContact CA-O 3.31Å; G42-A442 WeakPolarHBondContact CA-O 3.44Å; G42-A442 CarbonylContact O-C 3.46Å; L208-A442 HydrophobicContact CD1-CB 4.2Å; L208-A442 HydrophobicContact CD2-CB 4.05Å; D397-A442 HydrophobicContact CB-CB 4.29Å; F398-A442 PolarHBondContact O-N 2.98Å; D399-A442 PolarHBondContact OD1-N 3.38Å; A442-K444 PolarHBondContact O-N 2.75Å; A442-K444 VanDerWaalsContact O-N 3.11Å
443G97.6Very high92.5Very high2 Ų260.5 Ų60.52%0.02132%0.324CS..THydrogen-bonded Turntrans66.210.1178.900000115.4F398 V441F398-G443 PolarHBondContact O-N 3.35Å; V441-G443 PolarHBondContact O-N 3.09Å
444K97.8Very high92.2Very high131 Ų13160.7 Ų60.757%0.5733%0.325SS*.EExtended strand (participates in β ladder)trans-101.7130.8170.7-64.2-177.3-179.9-1790109.4F440 V441 A442 V446F440-K444 CarbonylContact C-O 3.59Å; F440-K444 VanDerWaalsContact CA-O 3.23Å; F440-K444 WeakPolarHBondContact CA-O 3.3Å; V441-K444 PolarHBondContact N-O 2.89Å; V441-K444 WeakPolarHBondContact O-CB 3.22Å; V441-K444 PolarHBondContact O-N 3.09Å; A442-K444 PolarHBondContact O-N 2.75Å; A442-K444 VanDerWaalsContact O-N 3.11Å; K444-V446 PolarHBondContact O-N 3.47Å
445K97.9Very high91.9Very high110 Ų11056.8 Ų56.848%0.47832%0.316SS..EExtended strand (participates in β ladder)trans-71.2118.2171.1-168.7-179.9-58.4-173.40108.8E438 V439 F440 V447E438-K445 HydrophobicContact CG-CD 4.47Å; E438-K445 WeakPolarHBondContact OE1-CE 3.11Å; E438-K445 IonicContact OE1-NZ 2.65Å; E438-K445 PolarHBondContact OE1-NZ 2.66Å; E438-K445 IonicContact OE2-NZ 3.9Å; V439-K445 CarbonylContact O-C 3.59Å; V439-K445 WeakPolarHBondContact O-CA 3.31Å; F440-K445 HydrophobicContact CD1-CB 4.02Å; F440-K445 HydrophobicContact CE1-CB 3.81Å; F440-K445 HydrophobicContact CE1-CG 4.2Å; F440-K445 HydrophobicContact CZ-CB 4.43Å; F440-K445 HydrophobicContact CZ-CG 4.33Å; K445-V447 WeakPolarHBondContact CG-O 3.49Å
446V98.1Very high91.5Very high18 Ų1860.2 Ų60.211%0.10933%0.334CS..EExtended strand (participates in β ladder)trans-111.9-17.8-178.6-63.70000112.9L134 V439 V441 K444 F449L134-V446 HydrophobicContact CD2-CG2 3.91Å; V439-V446 HydrophobicContact CB-CG2 4.14Å; V439-V446 HydrophobicContact CG1-CG2 3.88Å; V439-V446 WeakPolarHBondContact O-CG2 3.5Å; V439-V446 PolarHBondContact O-N 3.06Å; V441-V446 HydrophobicContact CB-CG1 4.39Å; V441-V446 HydrophobicContact CG2-CG1 4.42Å; V441-V446 HydrophobicContact CG2-CG2 3.74Å; K444-V446 PolarHBondContact O-N 3.47Å; V446-F449 WeakPolarHBondContact O-CD1 3.48Å; V446-F449 WeakPolarHBondContact O-CE1 3.4Å
447V97.8Very high91.1Very high13 Ų1363.4 Ų63.48%0.07935%0.353CS..EExtended strand (participates in β ladder)trans-129133.7168-178.40000108.2L134 R135 E438 V439 K445 F449L134-V447 HydrophobicContact CB-CG2 4.05Å; R135-V447 HydrophobicContact CG-CG1 4.4Å; E438-V447 WeakPolarHBondContact CA-O 3.41Å; V439-V447 HydrophobicContact CB-CB 3.72Å; V439-V447 HydrophobicContact CB-CG2 3.85Å; V439-V447 HydrophobicContact CG2-CB 3.79Å; V439-V447 HydrophobicContact CG2-CG1 4.42Å; V439-V447 HydrophobicContact CG2-CG2 3.96Å; V439-V447 PolarHBondContact N-O 2.93Å; V439-V447 VanDerWaalsContact N-O 3.1Å; V439-V447 PolarHBondContact O-N 3.37Å; K445-V447 WeakPolarHBondContact CG-O 3.49Å; V447-F449 HydrophobicContact CG2-CE1 3.91Å; V447-F449 HydrophobicContact CG2-CZ 4.07Å
448P96.7Very high90.6Very high88 Ų8863.9 Ų63.957%0.57135%0.353SS*.SBendcis-60148.4-1-23.234.5000113.8
449F91.9Very high90.1Very high38 Ų3866.4 Ų66.417%0.16737%0.369CS..PPolyproline II helixtrans-67.2135.2176-60.5-54.9000109.3K131 L134 R135 F162 V446 V447 E451K131-F449 HydrophobicContact CB-CE2 3.76Å; K131-F449 HydrophobicContact CB-CZ 3.83Å; K131-F449 HydrophobicContact CD-CD2 4.43Å; K131-F449 HydrophobicContact CD-CE2 4.19Å; K131-F449 HydrophobicContact CG-CD2 4.36Å; K131-F449 HydrophobicContact CG-CE1 4.4Å; K131-F449 HydrophobicContact CG-CE2 3.75Å; K131-F449 HydrophobicContact CG-CZ 3.82Å; K131-F449 WeakPolarHBondContact O-CZ 3.23Å; L134-F449 HydrophobicContact CB-CE1 4.24Å; L134-F449 HydrophobicContact CB-CZ 4.1Å; L134-F449 HydrophobicContact CD1-CE1 3.96Å; L134-F449 HydrophobicContact CD1-CZ 4.47Å; R135-F449 HydrophobicContact CG-CE2 3.63Å; R135-F449 HydrophobicContact CG-CZ 3.93Å; F162-F449 HydrophobicContact CD1-CD1 4.07Å; F162-F449 HydrophobicContact CD1-CE1 4.13Å; V446-F449 WeakPolarHBondContact O-CD1 3.48Å; V446-F449 WeakPolarHBondContact O-CE1 3.4Å; V447-F449 HydrophobicContact CG2-CE1 3.91Å; V447-F449 HydrophobicContact CG2-CZ 4.07Å; F449-E451 PolarHBondContact O-N 2.71Å
450S81.2Confident89.4Confident117 Ų11771.5 Ų71.582%0.81840%0.397SS*.PPolyproline II helixtrans-53.3132.9169.2-53.20000109.4
451E58.6Low88.6Confident181 Ų18176.5 Ų76.585%0.84643%0.426SS*.PPolyproline II helixtrans-61.5141169.8-66.5-168.5166.500109.1F449F449-E451 PolarHBondContact O-N 2.71Å
452P48.6Very low87.7Confident204 Ų20483.4 Ų83.4100%1.32546%0.464SS*.  trans-56.30-179.8-22.632.1000114.7

Retrieved 452 of 452 residues in 185.6 ms (Link to these results)

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