A0A077ZHQ5_TRITR Loading...

Uronate isomerase

AlphaFold DB , UniProt , Accession A0A077ZHQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 942 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
1M63Low87.4Confident239 Ų23971.5 Ų71.5100%1.17738%0.377SS*.  0123.10-173.1177.5-172.200107
2T74.7Confident87.9Confident112 Ų11271.4 Ų71.469%0.68738%0.378SS*.PPolyproline II helixtrans-78.6126.7176.3-48.80000108.4T6T2-T6 HydrophobicContact CG2-CG2 4.17Å
3P85.3Confident88.5Confident92 Ų9266.2 Ų66.260%0.59735%0.35SS*.PPolyproline II helixtrans-57.7154.6173.4-23.233.2000111.7T6P3-T6 HydrophobicContact CB-CG2 3.83Å; P3-T6 HydrophobicContact CG-CG2 4.14Å; P3-T6 WeakPolarHBondContact O-CG2 3.24Å
4F91.2Very high88.6Confident81 Ų8169.4 Ų69.436%0.35536%0.362SS..THydrogen-bonded Turntrans-69.1142.4173.3176.9-110.1000110.5T6 F9 Y101 H102 H105 L118F4-T6 PolarHBondContact O-N 3.04Å; F4-F9 HydrophobicContact CD2-CE2 4.3Å; F4-F9 AromaticContact CE2-CE2 3.97Å; F4-F9 HydrophobicContact CE2-CE2 3.97Å; F4-F9 HydrophobicContact CE2-CZ 4.45Å; F4-Y101 HydrophobicContact CE1-CD1 4.28Å; F4-Y101 AromaticContact CE1-CE1 3.83Å; F4-Y101 HydrophobicContact CE1-CE1 3.83Å; F4-Y101 HydrophobicContact CE2-CD1 4.29Å; F4-Y101 HydrophobicContact CE2-CE1 4.32Å; F4-Y101 AromaticContact CZ-CD1 3.71Å; F4-Y101 HydrophobicContact CZ-CD1 3.71Å; F4-Y101 AromaticContact CZ-CE1 3.69Å; F4-Y101 HydrophobicContact CZ-CE1 3.69Å; F4-H102 AromaticContact CE2-CD2 3.68Å; F4-H102 AromaticContact CE2-NE2 3.97Å; F4-H102 AromaticContact CZ-CD2 3.98Å; F4-H105 HydrophobicContact CE1-CB 4.07Å; F4-H105 AromaticContact CE1-CG 3.86Å; F4-H105 AromaticContact CE1-ND1 3.92Å; F4-H105 HydrophobicContact CZ-CB 4.43Å; F4-L118 HydrophobicContact CD1-CD2 3.62Å; F4-L118 HydrophobicContact CE1-CD2 3.76Å
5M89.3Confident88.7Confident25 Ų2566.2 Ų66.212%0.12334%0.344CS..THydrogen-bonded Turntrans57.242.6174.4-151.554.463.800114.6F9 H105 L106 R109M5-F9 HydrophobicContact CE-CD1 3.87Å; M5-F9 HydrophobicContact CE-CD2 4.2Å; M5-F9 HydrophobicContact CE-CE1 3.65Å; M5-F9 HydrophobicContact CE-CE2 4.01Å; M5-F9 HydrophobicContact CE-CG 4.14Å; M5-F9 HydrophobicContact CE-CZ 3.73Å; M5-F9 HydrophobicContact SD-CB 4.21Å; M5-F9 HydrophobicContact SD-CD1 3.6Å; M5-F9 HydrophobicContact SD-CD2 4.32Å; M5-F9 HydrophobicContact SD-CE1 4.01Å; M5-F9 HydrophobicContact SD-CG 3.78Å; M5-H105 HydrophobicContact CE-CB 4.18Å; M5-L106 HydrophobicContact CE-CG 4.26Å; M5-L106 HydrophobicContact SD-CD2 3.64Å; M5-L106 HydrophobicContact SD-CG 3.97Å; M5-R109 PolarHBondContact O-NH1 3.05Å
6T91.3Very high89.1Confident35 Ų3562.1 Ų62.122%0.21532%0.323CS..  trans-69.5176.7169.155.60000111.8T2 P3 F4 D8 F9 R109T2-T6 HydrophobicContact CG2-CG2 4.17Å; P3-T6 HydrophobicContact CB-CG2 3.83Å; P3-T6 HydrophobicContact CG-CG2 4.14Å; P3-T6 WeakPolarHBondContact O-CG2 3.24Å; F4-T6 PolarHBondContact O-N 3.04Å; T6-D8 PolarHBondContact O-N 3.14Å; T6-D8 PolarHBondContact OG1-N 3.08Å; T6-F9 WeakPolarHBondContact O-CB 3.31Å; T6-F9 PolarHBondContact O-N 3.14Å; T6-F9 PolarHBondContact OG1-N 2.99Å; T6-R109 PolarHBondContact O-NH1 3.03Å; T6-R109 PolarHBondContact O-NH2 3.46Å
7E88.6Confident89.3Confident93 Ų9362.7 Ų62.744%0.43532%0.32SS..THydrogen-bonded Turntrans-60-31.3167.7-68.2-56.8145.900112.3F9 R109 R427E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 2.88Å; E7-R109 IonicContact OE1-CZ 3.31Å; E7-R109 IonicContact OE1-NH2 3Å; E7-R109 PolarHBondContact OE1-NH2 3.11Å; E7-R109 IonicContact OE2-NH2 2.81Å; E7-R109 PolarHBondContact OE2-NH2 3.15Å; E7-R427 PolarHBondContact O-NH1 3.37Å; E7-R427 PolarHBondContact O-NH2 3.32Å
8D93.4Very high89.1Confident58 Ų5865.4 Ų65.431%0.3133%0.326SS..THydrogen-bonded Turntrans-94.622.4177.5-56.8-39.4000113.3T6 L10 L11 R17 H21T6-D8 PolarHBondContact O-N 3.14Å; T6-D8 PolarHBondContact OG1-N 3.08Å; D8-L10 PolarHBondContact O-N 3.35Å; D8-L10 VanDerWaalsContact O-N 3.17Å; D8-L11 HydrophobicContact CB-CB 4.34Å; D8-L11 PolarHBondContact O-N 3.34Å; D8-R17 HydrophobicContact CB-CG 4.44Å; D8-H21 IonicContact OD1-CD2 3.11Å; D8-H21 IonicContact OD1-CE1 2.95Å; D8-H21 IonicContact OD1-NE2 3.39Å; D8-H21 PolarHBondContact OD1-NE2 3.49Å
9F94.6Very high89Confident19 Ų1962 Ų628%0.08331%0.309CS..THydrogen-bonded Turntrans-52.4126.4176.2174.6-114.2000110.5F4 M5 T6 E7 L11 H102 Y424 R427F4-F9 HydrophobicContact CD2-CE2 4.3Å; F4-F9 AromaticContact CE2-CE2 3.97Å; F4-F9 HydrophobicContact CE2-CE2 3.97Å; F4-F9 HydrophobicContact CE2-CZ 4.45Å; M5-F9 HydrophobicContact CE-CD1 3.87Å; M5-F9 HydrophobicContact CE-CD2 4.2Å; M5-F9 HydrophobicContact CE-CE1 3.65Å; M5-F9 HydrophobicContact CE-CE2 4.01Å; M5-F9 HydrophobicContact CE-CG 4.14Å; M5-F9 HydrophobicContact CE-CZ 3.73Å; M5-F9 HydrophobicContact SD-CB 4.21Å; M5-F9 HydrophobicContact SD-CD1 3.6Å; M5-F9 HydrophobicContact SD-CD2 4.32Å; M5-F9 HydrophobicContact SD-CE1 4.01Å; M5-F9 HydrophobicContact SD-CG 3.78Å; T6-F9 WeakPolarHBondContact O-CB 3.31Å; T6-F9 PolarHBondContact O-N 3.14Å; T6-F9 PolarHBondContact OG1-N 2.99Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 2.88Å; F9-L11 PolarHBondContact O-N 3.11Å; F9-H102 HydrophobicContact CE1-CB 4.46Å; F9-H102 HydrophobicContact CZ-CB 4.2Å; F9-H102 AromaticContact CZ-CD2 3.75Å; F9-H102 AromaticContact CZ-CE1 3.81Å; F9-H102 AromaticContact CZ-CG 3.65Å; F9-H102 AromaticContact CZ-ND1 3.69Å; F9-H102 AromaticContact CZ-NE2 3.85Å; F9-Y424 HydrophobicContact CE1-CD2 4.24Å; F9-Y424 AromaticContact CE1-CE2 3.96Å; F9-Y424 HydrophobicContact CE1-CE2 3.96Å; F9-Y424 HydrophobicContact CZ-CE2 4.35Å; F9-R427 WeakPolarHBondContact O-CD 3.22Å; F9-R427 PolarHBondContact O-NH1 3.41Å
10L94.2Very high89.2Confident27 Ų2759.2 Ų59.214%0.14129%0.294CS..THydrogen-bonded Turntrans69.1-13.2-170.5-55.2173.2000116.8D8 D12 K387 Y424 R427 I428 Q431D8-L10 PolarHBondContact O-N 3.35Å; D8-L10 VanDerWaalsContact O-N 3.17Å; L10-D12 PolarHBondContact O-N 3.31Å; L10-K387 HydrophobicContact CD2-CD 4.13Å; L10-Y424 HydrophobicContact CD1-CD2 4.01Å; L10-Y424 HydrophobicContact CD1-CE2 3.66Å; L10-R427 HydrophobicContact CB-CB 4.32Å; L10-R427 HydrophobicContact CD1-CB 4.25Å; L10-I428 HydrophobicContact CD1-CG1 3.9Å; L10-Q431 PolarHBondContact O-NE2 2.82Å; L10-Q431 PolarHBondContact O-OE1 3.27Å
11L96.3Very high89.1Confident5 Ų558.7 Ų58.73%0.02629%0.291CS..  trans-89.994-174.9-53.3174000110.9D8 F9 A16 R17 Y20 R427 C430D8-L11 HydrophobicContact CB-CB 4.34Å; D8-L11 PolarHBondContact O-N 3.34Å; F9-L11 PolarHBondContact O-N 3.11Å; L11-A16 HydrophobicContact CB-CB 4.49Å; L11-A16 HydrophobicContact CD2-CB 4.38Å; L11-R17 HydrophobicContact CB-CG 3.88Å; L11-R17 PolarHBondContact O-NE 3.22Å; L11-Y20 HydrophobicContact CD1-CD1 3.5Å; L11-Y20 VanDerWaalsContact CD1-CD1 3.5Å; L11-Y20 HydrophobicContact CD1-CE1 4.33Å; L11-Y20 HydrophobicContact CD1-CG 3.65Å; L11-Y20 HydrophobicContact CD2-CG 4.24Å; L11-R427 HydrophobicContact CD2-CB 4.25Å; L11-R427 HydrophobicContact CD2-CG 4.48Å; L11-C430 HydrophobicContact CD2-CB 4.09Å
12D93.5Very high90Very high71 Ų7152.2 Ų52.238%0.3826%0.261SS..  trans-94.1-16.8-170.458-19.5000115.6L10 R17 Q431 R435L10-D12 PolarHBondContact O-N 3.31Å; D12-R17 PolarHBondContact O-NH2 3.48Å; D12-Q431 WeakPolarHBondContact OD1-CG 3.45Å; D12-Q431 PolarHBondContact OD1-NE2 3.36Å; D12-Q431 PolarHBondContact OD2-NE2 2.88Å; D12-R435 IonicContact OD1-NE 2.8Å; D12-R435 PolarHBondContact OD1-NE 3.48Å; D12-R435 IonicContact OD2-CZ 2.75Å; D12-R435 IonicContact OD2-NE 3.96Å; D12-R435 PolarHBondContact OD2-NE 2.81Å; D12-R435 IonicContact OD2-NH2 3.08Å; D12-R435 PolarHBondContact OD2-NH2 2.94Å
13T94.6Very high90.4Very high4 Ų448.4 Ų48.43%0.02523%0.234CC..SBendtrans-108.6156.6174.477.80000112F15 A16 R17 G434 R435 E438T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 2.82Å; T13-A16 PolarHBondContact O-N 3.32Å; T13-A16 WeakPolarHBondContact OG1-CB 3.05Å; T13-A16 PolarHBondContact OG1-N 3.25Å; T13-R17 WeakPolarHBondContact O-CG 3.49Å; T13-R17 PolarHBondContact O-N 3.4Å; T13-R17 VanDerWaalsContact O-N 3.12Å; T13-G434 WeakPolarHBondContact OG1-CA 3.45Å; T13-G434 PolarHBondContact OG1-O 2.86Å; T13-R435 HydrophobicContact CG2-CG 4.11Å; T13-E438 VanDerWaalsContact CB-CD 3.48Å; T13-E438 WeakPolarHBondContact CB-OE1 3.4Å; T13-E438 HydrophobicContact CG2-CB 4.36Å; T13-E438 HydrophobicContact CG2-CG 3.79Å; T13-E438 VanDerWaalsContact CG2-OE2 3.32Å; T13-E438 WeakPolarHBondContact CG2-OE2 3.33Å
14E90.2Very high90.6Very high110 Ų11044 Ų4451%0.51421%0.206SC..Hα-helixtrans-64.2-37.4176.8-175.159.6-167.700111.7R17 R18E14-R17 PolarHBondContact O-N 2.77Å; E14-R17 IonicContact OE2-CZ 2.84Å; E14-R17 IonicContact OE2-NH1 2.85Å; E14-R17 PolarHBondContact OE2-NH1 2.8Å; E14-R18 PolarHBondContact O-N 3.23Å; E14-R18 VanDerWaalsContact O-N 3.1Å
15F91Very high90.4Very high22 Ų2244.4 Ų44.410%0.09621%0.208CC..Hα-helixtrans-63.6-43.1175.4-159.5-82.9000111.6T13 R17 R18 L19 I433 V437 A444 I446 L449T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 2.82Å; F15-R17 VanDerWaalsContact C-N 3.32Å; F15-R17 PolarHBondContact O-N 3.43Å; F15-R18 PolarHBondContact O-N 3.05Å; F15-L19 HydrophobicContact CD1-CB 4.43Å; F15-L19 HydrophobicContact CD1-CD2 4.48Å; F15-L19 HydrophobicContact CE1-CD2 4.25Å; F15-L19 WeakPolarHBondContact O-CB 3.45Å; F15-L19 PolarHBondContact O-N 2.98Å; F15-I433 HydrophobicContact CE1-CG2 4.41Å; F15-V437 HydrophobicContact CB-CG1 4.39Å; F15-V437 HydrophobicContact CD1-CB 4.36Å; F15-V437 HydrophobicContact CD1-CG2 3.93Å; F15-V437 HydrophobicContact CD2-CB 4.47Å; F15-V437 HydrophobicContact CD2-CG1 3.84Å; F15-V437 HydrophobicContact CD2-CG2 4.43Å; F15-V437 HydrophobicContact CE1-CG2 3.9Å; F15-V437 HydrophobicContact CE2-CG1 4.24Å; F15-V437 HydrophobicContact CE2-CG2 4.39Å; F15-V437 HydrophobicContact CG-CB 4.2Å; F15-V437 HydrophobicContact CG-CG1 4.02Å; F15-V437 HydrophobicContact CG-CG2 4.19Å; F15-V437 HydrophobicContact CZ-CG2 4.13Å; F15-A444 HydrophobicContact CE2-CB 4.5Å; F15-I446 HydrophobicContact CD1-CD1 4.35Å; F15-I446 HydrophobicContact CD2-CD1 4.49Å; F15-I446 HydrophobicContact CE1-CD1 3.79Å; F15-I446 HydrophobicContact CE2-CB 4.16Å; F15-I446 HydrophobicContact CE2-CD1 3.95Å; F15-I446 HydrophobicContact CZ-CB 4.12Å; F15-I446 HydrophobicContact CZ-CD1 3.57Å; F15-I446 HydrophobicContact CZ-CG1 4.44Å; F15-L449 HydrophobicContact CE1-CB 4.12Å; F15-L449 HydrophobicContact CE1-CD1 3.54Å; F15-L449 HydrophobicContact CE1-CG 4.47Å; F15-L449 HydrophobicContact CZ-CB 4.23Å; F15-L449 HydrophobicContact CZ-CD1 3.55Å; F15-L449 HydrophobicContact CZ-CG 4.43Å
16A94Very high90.2Very high0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-61.1-39.1176.300000112.5L11 T13 Y20 C430L11-A16 HydrophobicContact CB-CB 4.49Å; L11-A16 HydrophobicContact CD2-CB 4.38Å; T13-A16 PolarHBondContact O-N 3.32Å; T13-A16 WeakPolarHBondContact OG1-CB 3.05Å; T13-A16 PolarHBondContact OG1-N 3.25Å; A16-Y20 WeakPolarHBondContact O-CB 3.41Å; A16-Y20 PolarHBondContact O-N 3.14Å; A16-C430 VanDerWaalsContact CB-O 3.28Å; A16-C430 WeakPolarHBondContact CB-O 3.41Å
17R93.1Very high89.8Confident73 Ų7348.8 Ų48.828%0.27523%0.229SC..Hα-helixtrans-62.8-51.2176.7-69.5178-155.9116.612.3111.3D8 L11 D12 T13 E14 F15 Y20 H21D8-R17 HydrophobicContact CB-CG 4.44Å; L11-R17 HydrophobicContact CB-CG 3.88Å; L11-R17 PolarHBondContact O-NE 3.22Å; D12-R17 PolarHBondContact O-NH2 3.48Å; T13-R17 WeakPolarHBondContact O-CG 3.49Å; T13-R17 PolarHBondContact O-N 3.4Å; T13-R17 VanDerWaalsContact O-N 3.12Å; E14-R17 PolarHBondContact O-N 2.77Å; E14-R17 IonicContact OE2-CZ 2.84Å; E14-R17 IonicContact OE2-NH1 2.85Å; E14-R17 PolarHBondContact OE2-NH1 2.8Å; F15-R17 VanDerWaalsContact C-N 3.32Å; F15-R17 PolarHBondContact O-N 3.43Å; R17-Y20 PolarHBondContact O-N 2.97Å; R17-H21 WeakPolarHBondContact O-CB 3.48Å; R17-H21 PolarHBondContact O-CD2 3.25Å; R17-H21 PolarHBondContact O-N 3.09Å
18R85.4Confident89.6Confident112 Ų11246.4 Ų46.442%0.42322%0.222SC..Hα-helixtrans-60.3-50.2177.6-69.8-179.462.6-163.3-3.5111.3E14 F15 Y20 H21 D22 I446E14-R18 PolarHBondContact O-N 3.23Å; E14-R18 VanDerWaalsContact O-N 3.1Å; F15-R18 PolarHBondContact O-N 3.05Å; R18-Y20 VanDerWaalsContact C-N 3.29Å; R18-Y20 PolarHBondContact O-N 2.7Å; R18-H21 PolarHBondContact O-N 3.43Å; R18-D22 WeakPolarHBondContact O-CA 3.47Å; R18-D22 WeakPolarHBondContact O-CB 3.34Å; R18-D22 VanDerWaalsContact O-CG 3.23Å; R18-D22 PolarHBondContact O-N 3.27Å; R18-I446 HydrophobicContact CB-CD1 4.38Å
19L88.4Confident89.5Confident0 Ų044 Ų440%021%0.209CC..Iπ-helixtrans-57.8-41.3179.7-171.662.6000112.1F15 Y23 A24 C430 I433 I446 I453F15-L19 HydrophobicContact CD1-CB 4.43Å; F15-L19 HydrophobicContact CD1-CD2 4.48Å; F15-L19 HydrophobicContact CE1-CD2 4.25Å; F15-L19 WeakPolarHBondContact O-CB 3.45Å; F15-L19 PolarHBondContact O-N 2.98Å; L19-Y23 HydrophobicContact CD1-CD2 4.12Å; L19-Y23 HydrophobicContact CD1-CG 4.37Å; L19-Y23 VanDerWaalsContact O-CB 3.3Å; L19-Y23 WeakPolarHBondContact O-CB 3.25Å; L19-Y23 PolarHBondContact O-N 3.4Å; L19-A24 PolarHBondContact O-N 3.49Å; L19-C430 HydrophobicContact CD2-CB 4.41Å; L19-C430 HydrophobicContact CG-CB 4.48Å; L19-I433 HydrophobicContact CD2-CB 3.82Å; L19-I433 HydrophobicContact CD2-CD1 4.05Å; L19-I433 HydrophobicContact CD2-CG2 3.6Å; L19-I446 HydrophobicContact CB-CD1 4.23Å; L19-I446 HydrophobicContact CD1-CD1 4.15Å; L19-I453 HydrophobicContact CD1-CD1 3.51Å; L19-I453 HydrophobicContact CD1-CG1 4.45Å; L19-I453 HydrophobicContact CD2-CD1 3.81Å; L19-I453 HydrophobicContact CG-CD1 3.41Å; L19-I453 VanDerWaalsContact CG-CD1 3.41Å
20Y92.7Very high89.4Confident5 Ų546.4 Ų46.42%0.0222%0.219CC..Iπ-helixtrans-70.9-54.6176.2176.4-96.9000112.8L11 A16 R17 R18 A24 K25 E423 R426 R427 C430L11-Y20 HydrophobicContact CD1-CD1 3.5Å; L11-Y20 VanDerWaalsContact CD1-CD1 3.5Å; L11-Y20 HydrophobicContact CD1-CE1 4.33Å; L11-Y20 HydrophobicContact CD1-CG 3.65Å; L11-Y20 HydrophobicContact CD2-CG 4.24Å; A16-Y20 WeakPolarHBondContact O-CB 3.41Å; A16-Y20 PolarHBondContact O-N 3.14Å; R17-Y20 PolarHBondContact O-N 2.97Å; R18-Y20 VanDerWaalsContact C-N 3.29Å; R18-Y20 PolarHBondContact O-N 2.7Å; Y20-A24 HydrophobicContact CD2-CB 4.01Å; Y20-A24 PolarHBondContact O-N 2.86Å; Y20-K25 HydrophobicContact CD1-CB 4.28Å; Y20-K25 HydrophobicContact CE1-CB 3.88Å; Y20-K25 HydrophobicContact CE1-CD 4.29Å; Y20-K25 HydrophobicContact CE1-CG 4Å; Y20-K25 HydrophobicContact CE2-CB 4.4Å; Y20-K25 VanDerWaalsContact O-CB 3.31Å; Y20-K25 WeakPolarHBondContact O-CB 3.39Å; Y20-K25 PolarHBondContact O-N 3.44Å; Y20-E423 VanDerWaalsContact OH-CG 3.28Å; Y20-E423 WeakPolarHBondContact OH-CG 3.49Å; Y20-E423 PolarHBondContact OH-OE1 2.91Å; Y20-R426 HydrophobicContact CD2-CB 4.28Å; Y20-R426 HydrophobicContact CE2-CB 4.06Å; Y20-R427 HydrophobicContact CD2-CG 3.82Å; Y20-R427 HydrophobicContact CE1-CG 4.5Å; Y20-R427 HydrophobicContact CE2-CG 3.44Å; Y20-R427 VanDerWaalsContact CE2-CG 3.44Å; Y20-R427 HydrophobicContact CG-CG 4.5Å; Y20-R427 PolarHBondContact OH-NH2 3.16Å; Y20-C430 VanDerWaalsContact CA-SG 3.59Å
21H86.7Confident89.4Confident50 Ų5045.1 Ų45.123%0.23121%0.213CC..Iπ-helixtrans-70.9-33.1-172.3-68.7-61.6000112.6D8 R17 R18D8-H21 IonicContact OD1-CD2 3.11Å; D8-H21 IonicContact OD1-CE1 2.95Å; D8-H21 IonicContact OD1-NE2 3.39Å; D8-H21 PolarHBondContact OD1-NE2 3.49Å; R17-H21 WeakPolarHBondContact O-CB 3.48Å; R17-H21 PolarHBondContact O-CD2 3.25Å; R17-H21 PolarHBondContact O-N 3.09Å; R18-H21 PolarHBondContact O-N 3.43Å
22D81.4Confident89.3Confident102 Ų10246.1 Ų46.155%0.54522%0.216SC..Iπ-helixtrans-90.3-27.3-176-53.9-22.4000112.4R18R18-D22 WeakPolarHBondContact O-CA 3.47Å; R18-D22 WeakPolarHBondContact O-CB 3.34Å; R18-D22 VanDerWaalsContact O-CG 3.23Å; R18-D22 PolarHBondContact O-N 3.27Å
23Y82.7Confident89.4Confident32 Ų3242.8 Ų42.813%0.12520%0.198CC..Iπ-helixtrans-121.9-48.2-174.9-58.2-101.1000114L19 Q27 I446 G450 L456L19-Y23 HydrophobicContact CD1-CD2 4.12Å; L19-Y23 HydrophobicContact CD1-CG 4.37Å; L19-Y23 VanDerWaalsContact O-CB 3.3Å; L19-Y23 WeakPolarHBondContact O-CB 3.25Å; L19-Y23 PolarHBondContact O-N 3.4Å; Y23-Q27 WeakPolarHBondContact O-CG 3.47Å; Y23-Q27 PolarHBondContact O-NE2 3.47Å; Y23-I446 HydrophobicContact CE2-CD1 4.04Å; Y23-I446 HydrophobicContact CE2-CG1 3.64Å; Y23-G450 VanDerWaalsContact CD1-CA 3.46Å; Y23-L456 HydrophobicContact CD1-CD2 4.28Å; Y23-L456 HydrophobicContact CE1-CD2 3.48Å; Y23-L456 VanDerWaalsContact CE1-CD2 3.48Å
24A89.2Confident89.4Confident1 Ų142.6 Ų42.61%0.00820%0.197CC..Iπ-helixtrans-87.5-36.9-166.500000114.8L19 Y20 D26 Q27 R426 C430 I453L19-A24 PolarHBondContact O-N 3.49Å; Y20-A24 HydrophobicContact CD2-CB 4.01Å; Y20-A24 PolarHBondContact O-N 2.86Å; A24-D26 PolarHBondContact O-N 3.38Å; A24-Q27 WeakPolarHBondContact O-CB 3.38Å; A24-Q27 WeakPolarHBondContact O-CG 3.44Å; A24-Q27 PolarHBondContact O-N 3.46Å; A24-R426 HydrophobicContact CB-CB 4.15Å; A24-R426 HydrophobicContact CB-CG 4.41Å; A24-R426 WeakPolarHBondContact O-CD 3.45Å; A24-R426 PolarHBondContact O-NH1 2.94Å; A24-C430 VanDerWaalsContact CB-SG 3.58Å; A24-I453 VanDerWaalsContact CA-CG2 3.49Å; A24-I453 HydrophobicContact CB-CD1 4.31Å; A24-I453 HydrophobicContact CB-CG2 3.64Å
25K88.2Confident89.7Confident88 Ų8839.6 Ų39.638%0.38318%0.183SC..THydrogen-bonded Turntrans-54.7-51.1-167.6178.9-174.5177.2-1760112.1Y20 Q27 R426Y20-K25 HydrophobicContact CD1-CB 4.28Å; Y20-K25 HydrophobicContact CE1-CB 3.88Å; Y20-K25 HydrophobicContact CE1-CD 4.29Å; Y20-K25 HydrophobicContact CE1-CG 4Å; Y20-K25 HydrophobicContact CE2-CB 4.4Å; Y20-K25 VanDerWaalsContact O-CB 3.31Å; Y20-K25 WeakPolarHBondContact O-CB 3.39Å; Y20-K25 PolarHBondContact O-N 3.44Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 2.85Å; K25-R426 PolarHBondContact O-NH1 3.5Å; K25-R426 VanDerWaalsContact O-NH1 3.13Å
26D84.7Confident89.9Confident117 Ų11738.7 Ų38.763%0.62618%0.179SC*.THydrogen-bonded Turntrans-90.54.7-170.6-61.6-37.7000113.6A24 N150A24-D26 PolarHBondContact O-N 3.38Å; D26-N150 PolarHBondContact O-ND2 3.33Å
27Q82.4Confident90Very high36 Ų3640.8 Ų40.817%0.16819%0.193CC..PPolyproline II helixtrans-56.2138178.3-69.2-51.1-55.200111.6Y23 A24 K25 R426 I453 H454Y23-Q27 WeakPolarHBondContact O-CG 3.47Å; Y23-Q27 PolarHBondContact O-NE2 3.47Å; A24-Q27 WeakPolarHBondContact O-CB 3.38Å; A24-Q27 WeakPolarHBondContact O-CG 3.44Å; A24-Q27 PolarHBondContact O-N 3.46Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 2.85Å; Q27-R426 PolarHBondContact O-NH1 3.29Å; Q27-R426 PolarHBondContact O-NH2 3.28Å; Q27-I453 HydrophobicContact CG-CG2 4.31Å; Q27-H454 PolarHBondContact NE2-CD2 3.18Å; Q27-H454 PolarHBondContact OE1-CD2 2.92Å
28P85.9Confident90.2Very high42 Ų4238.4 Ų38.427%0.27319%0.187SC..PPolyproline II helixtrans-60.8153.2173.925.8-35000112F30 K152 R426P28-F30 HydrophobicContact CB-CD2 4.4Å; P28-F30 HydrophobicContact CB-CE2 3.9Å; P28-F30 HydrophobicContact CG-CD2 4.28Å; P28-F30 HydrophobicContact CG-CE2 3.6Å; P28-F30 HydrophobicContact CG-CZ 4.47Å; P28-K152 HydrophobicContact CB-CB 4.48Å; P28-K152 HydrophobicContact CB-CD 4.43Å; P28-K152 HydrophobicContact CB-CG 3.43Å; P28-K152 VanDerWaalsContact CB-CG 3.43Å; P28-R426 PolarHBondContact O-NH2 3.04Å
29I90.7Very high90.8Very high7 Ų737.4 Ų37.44%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-94.4117.5173.2-66.1178.2000109.5D31 M149 N150 V151 K152 Y419 H422I29-D31 HydrophobicContact CG2-CB 3.99Å; I29-M149 WeakPolarHBondContact CD1-O 3.34Å; I29-N150 PolarHBondContact N-O 2.94Å; I29-V151 HydrophobicContact CB-CB 4.48Å; I29-V151 HydrophobicContact CB-CG2 4.1Å; I29-V151 HydrophobicContact CD1-CG2 4.49Å; I29-V151 HydrophobicContact CG2-CG1 4.44Å; I29-V151 HydrophobicContact CG2-CG2 4.11Å; I29-K152 PolarHBondContact O-N 3.37Å; I29-Y419 HydrophobicContact CD1-CD1 4.36Å; I29-Y419 HydrophobicContact CD1-CG 4.38Å; I29-Y419 HydrophobicContact CG2-CD1 4.1Å; I29-H422 HydrophobicContact CD1-CB 3.99Å; I29-H422 HydrophobicContact CG1-CB 4.12Å; I29-H422 WeakPolarHBondContact CG2-NE2 2.99Å
30F91.7Very high91.2Very high71 Ų7139.7 Ų39.731%0.31120%0.198SC..EExtended strand (participates in β ladder)trans-107.490.3164.4-66.5-91.2000107.1P28 Y32 K152 M153 N476P28-F30 HydrophobicContact CB-CD2 4.4Å; P28-F30 HydrophobicContact CB-CE2 3.9Å; P28-F30 HydrophobicContact CG-CD2 4.28Å; P28-F30 HydrophobicContact CG-CE2 3.6Å; P28-F30 HydrophobicContact CG-CZ 4.47Å; F30-Y32 VanDerWaalsContact C-N 3.32Å; F30-Y32 WeakPolarHBondContact O-CD1 3.49Å; F30-Y32 PolarHBondContact O-N 3Å; F30-Y32 VanDerWaalsContact O-N 3.11Å; F30-K152 HydrophobicContact CD1-CB 4.34Å; F30-K152 HydrophobicContact CE1-CB 3.84Å; F30-K152 HydrophobicContact CE2-CB 4.44Å; F30-K152 HydrophobicContact CZ-CB 3.89Å; F30-K152 HydrophobicContact CZ-CG 4.29Å; F30-M153 HydrophobicContact CD1-CB 3.84Å; F30-M153 HydrophobicContact CE1-CB 4.38Å; F30-N476 HydrophobicContact CE1-CB 4.17Å; F30-N476 HydrophobicContact CZ-CB 3.82Å
31D95Very high91.5Very high0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-86.978.6-179.5-17111.3000109.4I29 H33 M153 V154 G155 L410 T411 Y419 H422I29-D31 HydrophobicContact CG2-CB 3.99Å; D31-H33 PolarHBondContact O-N 3.38Å; D31-H33 VanDerWaalsContact O-N 3.08Å; D31-M153 PolarHBondContact N-O 3.17Å; D31-V154 HydrophobicContact CB-CG1 4.25Å; D31-V154 CarbonylContact O-C 3.38Å; D31-V154 VanDerWaalsContact O-CA 3.26Å; D31-V154 WeakPolarHBondContact O-CA 3.45Å; D31-G155 PolarHBondContact O-N 3.35Å; D31-L410 WeakPolarHBondContact OD1-CA 3.45Å; D31-T411 PolarHBondContact OD1-N 3.26Å; D31-T411 PolarHBondContact OD1-OG1 3.03Å; D31-T411 WeakPolarHBondContact OD2-CB 3.31Å; D31-T411 VanDerWaalsContact OD2-CG2 3.23Å; D31-T411 WeakPolarHBondContact OD2-CG2 3.32Å; D31-T411 PolarHBondContact OD2-OG1 3.06Å; D31-Y419 HydrophobicContact CB-CE1 4.27Å; D31-H422 IonicContact OD1-NE2 3.91Å
32Y93.6Very high92Very high26 Ų2637.9 Ų37.910%0.10219%0.192CC..  trans-71.5-1.7-16956.7-96.1000114.2F30 I347 Y349 G408 L410F30-Y32 VanDerWaalsContact C-N 3.32Å; F30-Y32 WeakPolarHBondContact O-CD1 3.49Å; F30-Y32 PolarHBondContact O-N 3Å; F30-Y32 VanDerWaalsContact O-N 3.11Å; Y32-I347 HydrophobicContact CE2-CD1 4.07Å; Y32-Y349 WeakPolarHBondContact CE2-OH 3.5Å; Y32-G408 PolarHBondContact OH-O 3.3Å; Y32-L410 HydrophobicContact CD1-CB 4.47Å; Y32-L410 HydrophobicContact CD2-CB 4.22Å; Y32-L410 HydrophobicContact CD2-CD2 3.98Å; Y32-L410 HydrophobicContact CE1-CB 4.12Å; Y32-L410 HydrophobicContact CE2-CB 3.88Å; Y32-L410 HydrophobicContact CE2-CD2 3.22Å; Y32-L410 HydrophobicContact CE2-CG 4.13Å
33H95.5Very high92.8Very high1 Ų138.3 Ų38.31%0.00519%0.191CC..SBendtrans-153.1118170.3-178.757.1000112.1D31 G155 T157 D238 H297 L410 D412D31-H33 PolarHBondContact O-N 3.38Å; D31-H33 VanDerWaalsContact O-N 3.08Å; H33-G155 CarbonylContact C-O 3.56Å; H33-G155 WeakPolarHBondContact CA-O 3.17Å; H33-T157 PolarHBondContact CE1-OG1 3Å; H33-T157 PolarHBondContact ND1-OG1 3.02Å; H33-D238 IonicContact CE1-OD1 3.65Å; H33-D238 IonicContact CE1-OD2 3.77Å; H33-D238 PolarHBondContact CE1-OD2 2.72Å; H33-D238 IonicContact ND1-OD2 3.8Å; H33-D238 IonicContact NE2-OD2 2.82Å; H33-H297 AromaticContact CD2-CE1 3.47Å; H33-H297 PolarHBondContact CD2-CE1 2.89Å; H33-H297 VanDerWaalsContact CD2-CE1 3.47Å; H33-H297 AromaticContact CD2-NE2 3.91Å; H33-H297 AromaticContact NE2-CE1 3.46Å; H33-H297 PolarHBondContact NE2-CE1 3.45Å; H33-L410 HydrophobicContact CB-CB 4.23Å; H33-L410 HydrophobicContact CB-CD1 4.06Å; H33-L410 HydrophobicContact CB-CD2 3.85Å; H33-L410 HydrophobicContact CB-CG 4.25Å; H33-D412 IonicContact CD2-OD1 3.2Å; H33-D412 IonicContact NE2-OD1 3.17Å; H33-D412 PolarHBondContact NE2-OD1 3.4Å; H33-D412 PolarHBondContact O-N 3.42Å; H33-D412 VanDerWaalsContact O-N 3.09Å
34C95.5Very high93.5Very high0 Ų039.3 Ų39.30%020%0.199CC..  trans-148.1173.117572.20000111.9L36 G155 T156 T157C34-L36 HydrophobicContact CB-CG 4.34Å; C34-G155 PolarHBondContact N-O 2.67Å; C34-G155 PolarHBondContact SG-O 2.89Å; C34-T156 CarbonylContact O-C 3.49Å; C34-T157 PolarHBondContact O-N 3.37Å; C34-T157 PolarHBondContact O-OG1 3.34Å
35H95.2Very high93.9Very high46 Ų4641.7 Ų41.721%0.21321%0.207CC..  trans-117.127.7176.1-72.1-74.8000111.9D412 S413 R414H35-D412 IonicContact CD2-OD1 2.65Å; H35-D412 PolarHBondContact CD2-OD1 2.85Å; H35-D412 IonicContact NE2-OD1 2.84Å; H35-D412 PolarHBondContact NE2-OD1 3.46Å; H35-S413 CarbonylContact C-O 3.51Å; H35-S413 WeakPolarHBondContact CA-O 3.4Å; H35-S413 PolarHBondContact N-O 2.84Å; H35-R414 HydrophobicContact CB-CG 3.53Å
36L95.8Very high94.3Very high4 Ų444.2 Ų44.22%0.02122%0.215CC..  trans-65.4135.2173.7-63.2179.8000110C34 P38 I41 S413 F416 Y419C34-L36 HydrophobicContact CB-CG 4.34Å; L36-P38 VanDerWaalsContact O-CD 3.24Å; L36-P38 WeakPolarHBondContact O-CD 3.5Å; L36-I41 HydrophobicContact CB-CD1 4.33Å; L36-S413 PolarHBondContact N-O 2.94Å; L36-F416 HydrophobicContact CB-CZ 4.41Å; L36-F416 HydrophobicContact CD1-CD1 4.15Å; L36-F416 HydrophobicContact CD1-CE1 4.02Å; L36-F416 HydrophobicContact CD1-CZ 4.43Å; L36-F416 HydrophobicContact CD2-CD1 4.36Å; L36-F416 HydrophobicContact CD2-CD2 3.92Å; L36-F416 HydrophobicContact CD2-CE1 4.44Å; L36-F416 HydrophobicContact CD2-CE2 4.01Å; L36-F416 HydrophobicContact CD2-CG 4.11Å; L36-F416 HydrophobicContact CD2-CZ 4.27Å; L36-Y419 WeakPolarHBondContact CD1-OH 3.48Å
37P95.8Very high94.9Very high43 Ų4339.3 Ų39.328%0.27919%0.188SC..  trans-70.8116.5179.525.5-31.3000110.5Q39 Q40P37-Q39 PolarHBondContact O-N 3.29Å; P37-Q39 VanDerWaalsContact O-N 3.15Å; P37-Q40 HydrophobicContact CB-CG 4.24Å; P37-Q40 HydrophobicContact CG-CB 3.94Å; P37-Q40 HydrophobicContact CG-CG 3.66Å; P37-Q40 PolarHBondContact O-N 3.07Å
38P97.4Very high95.5Very high24 Ų2445 Ų4516%0.15621%0.212CC..Hα-helixtrans-56.3-35.1-178.6-23.531.7000112.8L36 Q40 I41 A42 T156 H166 H167L36-P38 VanDerWaalsContact O-CD 3.24Å; L36-P38 WeakPolarHBondContact O-CD 3.5Å; P38-Q40 VanDerWaalsContact C-N 3.35Å; P38-Q40 PolarHBondContact O-N 2.84Å; P38-I41 PolarHBondContact O-N 3.21Å; P38-I41 VanDerWaalsContact O-N 3.13Å; P38-A42 PolarHBondContact O-N 3.22Å; P38-T156 HydrophobicContact CG-CG2 4.08Å; P38-H166 HydrophobicContact CB-CB 3.91Å; P38-H167 VanDerWaalsContact CG-CE1 3.46Å; P38-H167 WeakPolarHBondContact CG-CE1 3.41Å
39Q98.1Very high96Very high91 Ų9144 Ų4443%0.42521%0.205SC..Hα-helixtrans-54.7-45.9175.7-175.4-179.58.200112.7P37 I41 A42 E43P37-Q39 PolarHBondContact O-N 3.29Å; P37-Q39 VanDerWaalsContact O-N 3.15Å; Q39-I41 PolarHBondContact O-N 3.23Å; Q39-A42 PolarHBondContact O-N 3.06Å; Q39-E43 HydrophobicContact CG-CG 4.28Å; Q39-E43 VanDerWaalsContact CG-OE1 3.32Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.26Å; Q39-E43 PolarHBondContact NE2-OE1 3.42Å; Q39-E43 WeakPolarHBondContact O-CB 3.45Å; Q39-E43 WeakPolarHBondContact O-CG 3.22Å; Q39-E43 PolarHBondContact O-N 3.04Å
40Q97.6Very high96.3Very high48 Ų4843.7 Ų43.722%0.22420%0.203CC..Hα-helixtrans-68.4-28.5-178.6-68.4-176.9-1.400111.9P37 P38 D44 Y45 A142 F416P37-Q40 HydrophobicContact CB-CG 4.24Å; P37-Q40 HydrophobicContact CG-CB 3.94Å; P37-Q40 HydrophobicContact CG-CG 3.66Å; P37-Q40 PolarHBondContact O-N 3.07Å; P38-Q40 VanDerWaalsContact C-N 3.35Å; P38-Q40 PolarHBondContact O-N 2.84Å; Q40-D44 WeakPolarHBondContact O-CA 3.29Å; Q40-D44 PolarHBondContact O-N 3.04Å; Q40-Y45 HydrophobicContact CB-CG 4.38Å; Q40-Y45 HydrophobicContact CG-CG 4.15Å; Q40-Y45 PolarHBondContact O-N 3.23Å; Q40-A142 WeakPolarHBondContact O-CB 3.38Å; Q40-F416 HydrophobicContact CB-CE2 4.49Å; Q40-F416 HydrophobicContact CB-CZ 4.37Å
41I98.1Very high96.5Very high0 Ų041.1 Ų41.10%019%0.191CC..Hα-helixtrans-73.8-44173.5-51.9173000109.4L36 P38 Q39 E43 D44 R143 M146 I170 F176 V180 F416L36-I41 HydrophobicContact CB-CD1 4.33Å; P38-I41 PolarHBondContact O-N 3.21Å; P38-I41 VanDerWaalsContact O-N 3.13Å; Q39-I41 PolarHBondContact O-N 3.23Å; I41-E43 PolarHBondContact O-N 2.96Å; I41-D44 PolarHBondContact O-N 2.96Å; I41-R143 HydrophobicContact CG2-CG 4.2Å; I41-R143 PolarHBondContact O-NE 2.82Å; I41-R143 PolarHBondContact O-NH2 3.22Å; I41-M146 HydrophobicContact CD1-CE 4.37Å; I41-M146 HydrophobicContact CD1-SD 4.14Å; I41-M146 HydrophobicContact CG1-SD 4.2Å; I41-M146 HydrophobicContact CG2-SD 4.07Å; I41-I170 HydrophobicContact CB-CD1 3.88Å; I41-I170 HydrophobicContact CG2-CD1 3.87Å; I41-I170 HydrophobicContact CG2-CG1 4.44Å; I41-F176 HydrophobicContact CG2-CE1 3.98Å; I41-F176 HydrophobicContact CG2-CZ 4.2Å; I41-V180 HydrophobicContact CD1-CG1 4.14Å; I41-V180 HydrophobicContact CD1-CG2 4.34Å; I41-V180 HydrophobicContact CG2-CG2 3.98Å; I41-F416 HydrophobicContact CD1-CE1 4.45Å; I41-F416 HydrophobicContact CG1-CE1 3.9Å; I41-F416 HydrophobicContact CG1-CZ 3.81Å
42A98.1Very high96.5Very high16 Ų1641.7 Ų41.713%0.13219%0.194CC..Hα-helixtrans-59.1-46.9177.500000111.9P38 Q39 D44 R143 H166 E169 I170P38-A42 PolarHBondContact O-N 3.22Å; Q39-A42 PolarHBondContact O-N 3.06Å; A42-D44 VanDerWaalsContact C-N 3.26Å; A42-D44 PolarHBondContact O-N 3.02Å; A42-R143 PolarHBondContact O-NH2 3.22Å; A42-H166 HydrophobicContact CB-CB 3.96Å; A42-E169 HydrophobicContact CB-CB 4.41Å; A42-I170 HydrophobicContact CB-CD1 4.12Å; A42-I170 HydrophobicContact CB-CG1 3.85Å
43E97.5Very high96.6Very high112 Ų11240.7 Ų40.752%0.52319%0.191SC..THydrogen-bonded Turntrans-79.8-2.8-179.3-65.3175.4-179.700114.2Q39 I41 Y45Q39-E43 HydrophobicContact CG-CG 4.28Å; Q39-E43 VanDerWaalsContact CG-OE1 3.32Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.26Å; Q39-E43 PolarHBondContact NE2-OE1 3.42Å; Q39-E43 WeakPolarHBondContact O-CB 3.45Å; Q39-E43 WeakPolarHBondContact O-CG 3.22Å; Q39-E43 PolarHBondContact O-N 3.04Å; I41-E43 PolarHBondContact O-N 2.96Å; E43-Y45 PolarHBondContact O-N 3.39Å
44D97.1Very high96.5Very high53 Ų5340.7 Ų40.728%0.28319%0.19SC..THydrogen-bonded Turntrans45.956.2-170.9-165.827.5000113.2Q40 I41 A42 R46 S141 R143Q40-D44 WeakPolarHBondContact O-CA 3.29Å; Q40-D44 PolarHBondContact O-N 3.04Å; I41-D44 PolarHBondContact O-N 2.96Å; A42-D44 VanDerWaalsContact C-N 3.26Å; A42-D44 PolarHBondContact O-N 3.02Å; D44-R46 PolarHBondContact O-N 3.37Å; D44-S141 WeakPolarHBondContact OD1-CB 3.43Å; D44-S141 PolarHBondContact OD1-OG 3.48Å; D44-S141 PolarHBondContact OD2-OG 2.88Å; D44-R143 HydrophobicContact CB-CG 4.1Å; D44-R143 WeakPolarHBondContact OD1-CB 3.45Å; D44-R143 VanDerWaalsContact OD1-CG 3.23Å; D44-R143 WeakPolarHBondContact OD1-CG 3.28Å; D44-R143 PolarHBondContact OD1-N 3.47Å
45Y97.4Very high96.4Very high50 Ų5040.8 Ų40.820%0.19619%0.191CC..  trans-52.9131.6-169.2-173-102.6000112.7Q40 E43 F47 D52 S141 A142Q40-Y45 HydrophobicContact CB-CG 4.38Å; Q40-Y45 HydrophobicContact CG-CG 4.15Å; Q40-Y45 PolarHBondContact O-N 3.23Å; E43-Y45 PolarHBondContact O-N 3.39Å; Y45-F47 AromaticContact CD1-CD1 3.71Å; Y45-F47 HydrophobicContact CD1-CD1 3.71Å; Y45-F47 AromaticContact CD1-CE1 3.78Å; Y45-F47 HydrophobicContact CD1-CE1 3.78Å; Y45-F47 HydrophobicContact CD1-CG 4.21Å; Y45-F47 HydrophobicContact CD1-CZ 4.32Å; Y45-F47 AromaticContact CE1-CD1 3.8Å; Y45-F47 HydrophobicContact CE1-CD1 3.8Å; Y45-F47 HydrophobicContact CE1-CE1 4.23Å; Y45-F47 HydrophobicContact CE1-CG 4.38Å; Y45-D52 WeakPolarHBondContact CE1-OD2 3.36Å; Y45-D52 PolarHBondContact OH-OD2 3.02Å; Y45-S141 CarbonylContact O-C 3.58Å; Y45-S141 WeakPolarHBondContact O-CA 3.49Å; Y45-A142 PolarHBondContact O-N 3.16Å
46R97.1Very high96.2Very high142 Ų14243.3 Ų43.354%0.53620%0.201SC..  trans-96.3115.2172.9-66.2-171.1-178.2-136.9-2.1110.3D44 D138D44-R46 PolarHBondContact O-N 3.37Å; R46-D138 IonicContact CZ-OD1 3.04Å; R46-D138 IonicContact NH1-OD1 2.94Å; R46-D138 PolarHBondContact NH1-OD1 3.23Å; R46-D138 IonicContact NH2-OD1 2.85Å; R46-D138 PolarHBondContact NH2-OD1 3.32Å
47F96.6Very high95.7Very high13 Ų1344.3 Ų44.36%0.05721%0.213CC..  trans-69.6132.2-179.5-55.8-81.9000111.1Y45 N49 I53 L135 F140 A142 F416Y45-F47 AromaticContact CD1-CD1 3.71Å; Y45-F47 HydrophobicContact CD1-CD1 3.71Å; Y45-F47 AromaticContact CD1-CE1 3.78Å; Y45-F47 HydrophobicContact CD1-CE1 3.78Å; Y45-F47 HydrophobicContact CD1-CG 4.21Å; Y45-F47 HydrophobicContact CD1-CZ 4.32Å; Y45-F47 AromaticContact CE1-CD1 3.8Å; Y45-F47 HydrophobicContact CE1-CD1 3.8Å; Y45-F47 HydrophobicContact CE1-CE1 4.23Å; Y45-F47 HydrophobicContact CE1-CG 4.38Å; F47-N49 VanDerWaalsContact C-N 3.34Å; F47-N49 PolarHBondContact O-N 3.4Å; F47-I53 HydrophobicContact CB-CB 3.86Å; F47-I53 HydrophobicContact CD1-CB 3.63Å; F47-I53 HydrophobicContact CD1-CD1 4.46Å; F47-I53 HydrophobicContact CD1-CG1 3.85Å; F47-I53 HydrophobicContact CD2-CB 4.12Å; F47-I53 HydrophobicContact CD2-CD1 3.54Å; F47-I53 HydrophobicContact CD2-CG1 3.85Å; F47-I53 HydrophobicContact CE1-CB 4.21Å; F47-I53 HydrophobicContact CE1-CG1 3.94Å; F47-I53 HydrophobicContact CE2-CD1 3.68Å; F47-I53 HydrophobicContact CE2-CG1 3.94Å; F47-I53 HydrophobicContact CG-CB 3.59Å; F47-I53 HydrophobicContact CG-CD1 3.96Å; F47-I53 HydrophobicContact CG-CG1 3.8Å; F47-I53 HydrophobicContact CZ-CD1 4.23Å; F47-I53 HydrophobicContact CZ-CG1 4Å; F47-L135 HydrophobicContact CB-CD2 4.43Å; F47-F140 WeakPolarHBondContact CD2-O 3.32Å; F47-A142 HydrophobicContact CE2-CB 4.42Å; F47-A142 HydrophobicContact CZ-CB 4.32Å; F47-F416 HydrophobicContact CE1-CD2 4.09Å; F47-F416 HydrophobicContact CE1-CE2 4.46Å; F47-F416 HydrophobicContact CZ-CB 4.36Å; F47-F416 AromaticContact CZ-CD2 3.54Å; F47-F416 HydrophobicContact CZ-CD2 3.54Å; F47-F416 AromaticContact CZ-CE2 3.98Å; F47-F416 HydrophobicContact CZ-CE2 3.98Å; F47-F416 AromaticContact CZ-CG 3.98Å; F47-F416 HydrophobicContact CZ-CG 3.98Å
48K95.7Very high95.4Very high156 Ų15642.7 Ų42.768%0.67820%0.202SC*.SBendtrans-67.9-35.6-172.8-63.6178.6-174.9179.40113.2D52K48-D52 HydrophobicContact CB-CB 4.33Å; K48-D52 PolarHBondContact N-OD2 2.91Å
49N97.2Very high95.1Very high22 Ų2242.6 Ų42.612%0.11820%0.199CC..SBendtrans-168178.7-176.357.652.6000109.8F47 Y51 D52 I53 D81 W128 N132F47-N49 VanDerWaalsContact C-N 3.34Å; F47-N49 PolarHBondContact O-N 3.4Å; N49-Y51 VanDerWaalsContact C-N 3.3Å; N49-Y51 PolarHBondContact O-N 3.38Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.48Å; N49-Y51 PolarHBondContact OD1-N 3.49Å; N49-D52 WeakPolarHBondContact O-CB 3.39Å; N49-D52 PolarHBondContact O-N 2.95Å; N49-D52 VanDerWaalsContact O-N 3.11Å; N49-D52 PolarHBondContact OD1-N 3.48Å; N49-D52 VanDerWaalsContact OD1-N 3.09Å; N49-I53 PolarHBondContact O-N 2.87Å; N49-D81 PolarHBondContact ND2-OD2 3.15Å; N49-W128 HydrophobicContact CB-CH2 4.01Å; N49-W128 HydrophobicContact CB-CZ2 4.17Å; N49-N132 WeakPolarHBondContact CA-OD1 3.48Å; N49-N132 WeakPolarHBondContact CB-OD1 3.45Å
50L96Very high94.8Very high0 Ų039.6 Ų39.60%018%0.184CC..Hα-helixtrans-61.1-33.2-177.5-173.957.7000113.5I53 W54 F85 F112 I127 W128 C131 N132 L135L50-I53 HydrophobicContact CD1-CG2 4.34Å; L50-W54 HydrophobicContact CD1-CB 4.11Å; L50-W54 HydrophobicContact CD1-CD2 4.13Å; L50-W54 HydrophobicContact CD1-CE3 3.58Å; L50-W54 HydrophobicContact CD1-CG 4.42Å; L50-W54 HydrophobicContact CD1-CZ3 4.24Å; L50-W54 HydrophobicContact CD2-CE3 3.85Å; L50-W54 HydrophobicContact CD2-CZ3 3.92Å; L50-W54 HydrophobicContact CG-CE3 3.64Å; L50-W54 HydrophobicContact CG-CZ3 4.24Å; L50-W54 WeakPolarHBondContact O-CB 3.34Å; L50-W54 PolarHBondContact O-N 2.93Å; L50-F85 HydrophobicContact CD2-CD2 4.03Å; L50-F85 HydrophobicContact CD2-CE2 3.38Å; L50-F85 HydrophobicContact CD2-CZ 3.84Å; L50-F85 HydrophobicContact CG-CD2 4.37Å; L50-F85 HydrophobicContact CG-CE2 4.14Å; L50-F112 HydrophobicContact CD1-CE2 4.41Å; L50-F112 HydrophobicContact CD1-CZ 4.2Å; L50-I127 HydrophobicContact CD2-CG2 4.08Å; L50-W128 HydrophobicContact CB-CE3 3.99Å; L50-W128 HydrophobicContact CB-CZ3 4.05Å; L50-W128 HydrophobicContact CD2-CE3 4.46Å; L50-C131 HydrophobicContact CB-CB 4.41Å; L50-C131 HydrophobicContact CD1-CB 3.89Å; L50-C131 HydrophobicContact CD2-CB 3.87Å; L50-C131 HydrophobicContact CG-CB 4.27Å; L50-N132 PolarHBondContact N-OD1 3.01Å; L50-L135 HydrophobicContact CB-CD1 4.43Å
51Y96.3Very high94.7Very high17 Ų1737.3 Ų37.37%0.06717%0.173CC..Hα-helixtrans-65.1-42.1174.3166.2-90.1000111.7N49 I53 W54 L55 K56 D81 K84N49-Y51 VanDerWaalsContact C-N 3.3Å; N49-Y51 PolarHBondContact O-N 3.38Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.48Å; N49-Y51 PolarHBondContact OD1-N 3.49Å; Y51-I53 PolarHBondContact O-N 3.33Å; Y51-W54 PolarHBondContact O-N 3.06Å; Y51-L55 HydrophobicContact CD2-CB 3.51Å; Y51-L55 HydrophobicContact CD2-CD1 3.84Å; Y51-L55 HydrophobicContact CD2-CG 4.25Å; Y51-L55 HydrophobicContact CE2-CB 3.84Å; Y51-L55 HydrophobicContact CG-CB 4.29Å; Y51-L55 PolarHBondContact O-N 3.03Å; Y51-K56 HydrophobicContact CE1-CB 4.1Å; Y51-K56 HydrophobicContact CE1-CG 4.41Å; Y51-K56 PolarHBondContact O-N 2.97Å; Y51-D81 HydrophobicContact CD1-CB 3.83Å; Y51-D81 VanDerWaalsContact CD1-OD1 3.26Å; Y51-D81 WeakPolarHBondContact CD1-OD1 3.34Å; Y51-D81 WeakPolarHBondContact CE1-OD1 3.44Å; Y51-D81 HydrophobicContact CG-CB 3.97Å; Y51-K84 HydrophobicContact CD2-CB 3.71Å; Y51-K84 HydrophobicContact CD2-CD 4.07Å; Y51-K84 HydrophobicContact CE1-CD 4.39Å; Y51-K84 HydrophobicContact CE2-CB 3.67Å; Y51-K84 HydrophobicContact CE2-CD 3.3Å; Y51-K84 HydrophobicContact CE2-CG 4.13Å; Y51-K84 VanDerWaalsContact CZ-CD 3.48Å; Y51-K84 WeakPolarHBondContact OH-CD 3.47Å; Y51-K84 PolarHBondContact OH-NZ 3.49Å; Y51-K84 VanDerWaalsContact OH-NZ 3.16Å
52D96Very high94.6Very high11 Ų1138.7 Ų38.76%0.05918%0.179CC..Hα-helixtrans-62.4-37.7-175.6-166.136.4000113.1Y45 K48 N49 K56Y45-D52 WeakPolarHBondContact CE1-OD2 3.36Å; Y45-D52 PolarHBondContact OH-OD2 3.02Å; K48-D52 HydrophobicContact CB-CB 4.33Å; K48-D52 PolarHBondContact N-OD2 2.91Å; N49-D52 WeakPolarHBondContact O-CB 3.39Å; N49-D52 PolarHBondContact O-N 2.95Å; N49-D52 VanDerWaalsContact O-N 3.11Å; N49-D52 PolarHBondContact OD1-N 3.48Å; N49-D52 VanDerWaalsContact OD1-N 3.09Å; D52-K56 WeakPolarHBondContact O-CB 3.42Å; D52-K56 WeakPolarHBondContact OD1-CD 3.3Å; D52-K56 IonicContact OD1-NZ 3.73Å; D52-K56 PolarHBondContact OD1-NZ 2.88Å
53I95.2Very high94.4Very high6 Ų642.4 Ų42.43%0.03119%0.189CC..Hα-helixtrans-87.5-31.5177-166.4174.9000113.4F47 N49 L50 Y51 L135 I145 S415 L417F47-I53 HydrophobicContact CB-CB 3.86Å; F47-I53 HydrophobicContact CD1-CB 3.63Å; F47-I53 HydrophobicContact CD1-CD1 4.46Å; F47-I53 HydrophobicContact CD1-CG1 3.85Å; F47-I53 HydrophobicContact CD2-CB 4.12Å; F47-I53 HydrophobicContact CD2-CD1 3.54Å; F47-I53 HydrophobicContact CD2-CG1 3.85Å; F47-I53 HydrophobicContact CE1-CB 4.21Å; F47-I53 HydrophobicContact CE1-CG1 3.94Å; F47-I53 HydrophobicContact CE2-CD1 3.68Å; F47-I53 HydrophobicContact CE2-CG1 3.94Å; F47-I53 HydrophobicContact CG-CB 3.59Å; F47-I53 HydrophobicContact CG-CD1 3.96Å; F47-I53 HydrophobicContact CG-CG1 3.8Å; F47-I53 HydrophobicContact CZ-CD1 4.23Å; F47-I53 HydrophobicContact CZ-CG1 4Å; N49-I53 PolarHBondContact O-N 2.87Å; L50-I53 HydrophobicContact CD1-CG2 4.34Å; Y51-I53 PolarHBondContact O-N 3.33Å; I53-L135 HydrophobicContact CD1-CD2 3.98Å; I53-L135 HydrophobicContact CG2-CD1 4.07Å; I53-L135 HydrophobicContact CG2-CD2 4.14Å; I53-I145 HydrophobicContact CD1-CG1 4.29Å; I53-S415 PolarHBondContact O-OG 2.66Å; I53-L417 HydrophobicContact CD1-CD1 4.35Å; I53-L417 HydrophobicContact CD1-CD2 3.91Å; I53-L417 HydrophobicContact CD1-CG 4.08Å; I53-L417 HydrophobicContact CG1-CD1 4.09Å; I53-L417 HydrophobicContact CG1-CD2 4.4Å; I53-L417 HydrophobicContact CG1-CG 4.01Å; I53-L417 HydrophobicContact CG2-CD1 4.11Å
54W93.7Very high94.4Very high0 Ų037.7 Ų37.70%017%0.169CC..Hα-helixtrans-107.4-30.9-162.7-160.521.4000115.3L50 Y51 K61 F85 T104 E107 L108 L119 L417L50-W54 HydrophobicContact CD1-CB 4.11Å; L50-W54 HydrophobicContact CD1-CD2 4.13Å; L50-W54 HydrophobicContact CD1-CE3 3.58Å; L50-W54 HydrophobicContact CD1-CG 4.42Å; L50-W54 HydrophobicContact CD1-CZ3 4.24Å; L50-W54 HydrophobicContact CD2-CE3 3.85Å; L50-W54 HydrophobicContact CD2-CZ3 3.92Å; L50-W54 HydrophobicContact CG-CE3 3.64Å; L50-W54 HydrophobicContact CG-CZ3 4.24Å; L50-W54 WeakPolarHBondContact O-CB 3.34Å; L50-W54 PolarHBondContact O-N 2.93Å; Y51-W54 PolarHBondContact O-N 3.06Å; W54-K61 PolarHBondContact O-NZ 3.39Å; W54-F85 HydrophobicContact CE3-CE2 4.22Å; W54-F85 AromaticContact CZ3-CE2 3.97Å; W54-F85 HydrophobicContact CZ3-CE2 3.97Å; W54-T104 HydrophobicContact CH2-CG2 3.56Å; W54-T104 HydrophobicContact CZ2-CG2 3.46Å; W54-T104 VanDerWaalsContact CZ2-CG2 3.46Å; W54-T104 WeakPolarHBondContact CZ2-O 3.47Å; W54-E107 HydrophobicContact CZ2-CB 4.24Å; W54-E107 PolarHBondContact NE1-OE2 2.83Å; W54-L108 HydrophobicContact CH2-CD1 3.95Å; W54-L108 HydrophobicContact CH2-CD2 3.59Å; W54-L108 HydrophobicContact CH2-CG 3.59Å; W54-L108 HydrophobicContact CZ2-CD2 4.3Å; W54-L108 HydrophobicContact CZ2-CG 4.04Å; W54-L108 HydrophobicContact CZ3-CD2 3.97Å; W54-L108 HydrophobicContact CZ3-CG 4.46Å; W54-L119 HydrophobicContact CH2-CD2 3.62Å; W54-L119 HydrophobicContact CZ3-CD2 3.74Å; W54-L417 HydrophobicContact CB-CD1 3.85Å; W54-L417 VanDerWaalsContact CD1-CD1 3.42Å; W54-L417 HydrophobicContact CG-CD1 3.74Å
55L92.9Very high94.4Very high2 Ų235.3 Ų35.31%0.0116%0.157CC..THydrogen-bonded Turntrans-118-28.8-172.1-62.6-179.6000112.9Y51 G57 D58 K61 W62 F85 W88Y51-L55 HydrophobicContact CD2-CB 3.51Å; Y51-L55 HydrophobicContact CD2-CD1 3.84Å; Y51-L55 HydrophobicContact CD2-CG 4.25Å; Y51-L55 HydrophobicContact CE2-CB 3.84Å; Y51-L55 HydrophobicContact CG-CB 4.29Å; Y51-L55 PolarHBondContact O-N 3.03Å; L55-G57 PolarHBondContact O-N 3.2Å; L55-D58 PolarHBondContact O-N 3.28Å; L55-K61 HydrophobicContact CD2-CB 4.3Å; L55-K61 HydrophobicContact CD2-CD 3.46Å; L55-K61 VanDerWaalsContact CD2-CD 3.46Å; L55-K61 HydrophobicContact CD2-CG 4.48Å; L55-W62 PolarHBondContact O-NE1 3.5Å; L55-F85 HydrophobicContact CD1-CB 4.28Å; L55-F85 HydrophobicContact CD1-CD2 4.26Å; L55-W88 HydrophobicContact CD1-CB 3.74Å; L55-W88 HydrophobicContact CD1-CG 4.11Å; L55-W88 HydrophobicContact CD2-CB 4.05Å; L55-W88 HydrophobicContact CD2-CD2 4.03Å; L55-W88 HydrophobicContact CD2-CG 3.6Å
56K89.9Confident94.4Very high99 Ų9935 Ų3543%0.4316%0.155SC..THydrogen-bonded Turntrans-68117.7178.4-169.4-177.5-178.8-1690110.1Y51 D52 D58Y51-K56 HydrophobicContact CE1-CB 4.1Å; Y51-K56 HydrophobicContact CE1-CG 4.41Å; Y51-K56 PolarHBondContact O-N 2.97Å; D52-K56 WeakPolarHBondContact O-CB 3.42Å; D52-K56 WeakPolarHBondContact OD1-CD 3.3Å; D52-K56 IonicContact OD1-NZ 3.73Å; D52-K56 PolarHBondContact OD1-NZ 2.88Å; K56-D58 VanDerWaalsContact C-N 3.35Å
57G85.7Confident94.4Very high25 Ų2534 Ų3426%0.25817%0.165SC..THydrogen-bonded Turntrans85-0.8-178.800000115.1L55 H59 W62L55-G57 PolarHBondContact O-N 3.2Å; G57-H59 PolarHBondContact O-N 2.7Å; G57-W62 VanDerWaalsContact CA-CH2 3.45Å
58D90.6Very high94.4Very high9 Ų936.4 Ų36.45%0.04818%0.178CC..  trans-90.590.4-179.2-166.3-37.8000111.6L55 K56 Y60 K61 W62L55-D58 PolarHBondContact O-N 3.28Å; K56-D58 VanDerWaalsContact C-N 3.35Å; D58-Y60 PolarHBondContact O-N 3.34Å; D58-Y60 WeakPolarHBondContact OD1-CA 3.22Å; D58-Y60 VanDerWaalsContact OD1-CB 3.32Å; D58-Y60 WeakPolarHBondContact OD1-CB 3.44Å; D58-Y60 PolarHBondContact OD1-N 2.9Å; D58-K61 HydrophobicContact CB-CB 4.24Å; D58-K61 HydrophobicContact CB-CD 4.16Å; D58-K61 HydrophobicContact CB-CG 4.24Å; D58-K61 PolarHBondContact O-N 3.26Å; D58-K61 PolarHBondContact OD1-N 3.46Å; D58-K61 WeakPolarHBondContact OD2-CD 3.45Å; D58-K61 WeakPolarHBondContact OD2-CE 3.36Å; D58-K61 IonicContact OD2-NZ 3.19Å; D58-K61 PolarHBondContact OD2-NZ 3.05Å; D58-W62 VanDerWaalsContact O-CG 3.28Å; D58-W62 PolarHBondContact O-N 3.14Å
59H90.6Very high94.5Very high22 Ų2232.1 Ų32.110%0.10218%0.179CC..Hα-helixtrans-66.7-20.2179.759.167.2000113.9G57 W62 R63 R414G57-H59 PolarHBondContact O-N 2.7Å; H59-W62 HydrophobicContact CB-CE3 4.08Å; H59-R63 WeakPolarHBondContact O-CB 3.26Å; H59-R63 PolarHBondContact O-N 3.46Å; H59-R414 PolarHBondContact NE2-NH1 2.81Å
60Y92.4Very high94.6Very high28 Ų2832.3 Ų32.311%0.1118%0.18CC..Hα-helixtrans-68.5-47.6174.2-62-91000109.9D58 R63 A64 W382D58-Y60 PolarHBondContact O-N 3.34Å; D58-Y60 WeakPolarHBondContact OD1-CA 3.22Å; D58-Y60 VanDerWaalsContact OD1-CB 3.32Å; D58-Y60 WeakPolarHBondContact OD1-CB 3.44Å; D58-Y60 PolarHBondContact OD1-N 2.9Å; Y60-R63 PolarHBondContact O-N 3.45Å; Y60-A64 PolarHBondContact O-N 3.34Å; Y60-W382 AromaticContact CE1-CD1 3.7Å; Y60-W382 AromaticContact CZ-CD1 3.74Å
61K95Very high94.6Very high1 Ų134.8 Ų34.80%0.00420%0.201CC..Hα-helixtrans-64.8-43.6177.4-64-177.7-178.1109.40111.2W54 L55 D58 R63 A64 M65 W88 L100 E107W54-K61 PolarHBondContact O-NZ 3.39Å; L55-K61 HydrophobicContact CD2-CB 4.3Å; L55-K61 HydrophobicContact CD2-CD 3.46Å; L55-K61 VanDerWaalsContact CD2-CD 3.46Å; L55-K61 HydrophobicContact CD2-CG 4.48Å; D58-K61 HydrophobicContact CB-CB 4.24Å; D58-K61 HydrophobicContact CB-CD 4.16Å; D58-K61 HydrophobicContact CB-CG 4.24Å; D58-K61 PolarHBondContact O-N 3.26Å; D58-K61 PolarHBondContact OD1-N 3.46Å; D58-K61 WeakPolarHBondContact OD2-CD 3.45Å; D58-K61 WeakPolarHBondContact OD2-CE 3.36Å; D58-K61 IonicContact OD2-NZ 3.19Å; D58-K61 PolarHBondContact OD2-NZ 3.05Å; K61-R63 VanDerWaalsContact C-N 3.33Å; K61-R63 PolarHBondContact O-N 3.43Å; K61-A64 PolarHBondContact O-N 2.85Å; K61-M65 VanDerWaalsContact O-CG 3.32Å; K61-M65 WeakPolarHBondContact O-CG 3.36Å; K61-M65 PolarHBondContact O-N 3.43Å; K61-W88 HydrophobicContact CB-CE3 4.25Å; K61-W88 HydrophobicContact CB-CH2 4.08Å; K61-W88 HydrophobicContact CB-CZ2 4.36Å; K61-W88 HydrophobicContact CB-CZ3 4.01Å; K61-W88 HydrophobicContact CD-CH2 4.38Å; K61-W88 HydrophobicContact CD-CZ2 3.85Å; K61-W88 HydrophobicContact CG-CH2 3.79Å; K61-W88 HydrophobicContact CG-CZ2 3.77Å; K61-W88 HydrophobicContact CG-CZ3 4.26Å; K61-L100 HydrophobicContact CG-CD2 3.94Å; K61-E107 IonicContact NZ-OE1 2.74Å; K61-E107 IonicContact NZ-OE2 2.72Å; K61-E107 PolarHBondContact NZ-OE2 3.26Å
62W95.1Very high94.6Very high28 Ų2836.1 Ų36.111%0.10621%0.208CC..Hα-helixtrans-60.2-41.2174.5-59.7-21.5000112.8L55 G57 D58 H59 A64 M65 R66 T76 V316L55-W62 PolarHBondContact O-NE1 3.5Å; G57-W62 VanDerWaalsContact CA-CH2 3.45Å; D58-W62 VanDerWaalsContact O-CG 3.28Å; D58-W62 PolarHBondContact O-N 3.14Å; H59-W62 HydrophobicContact CB-CE3 4.08Å; W62-A64 VanDerWaalsContact C-N 3.35Å; W62-M65 PolarHBondContact O-N 3.05Å; W62-R66 WeakPolarHBondContact O-CG 3.47Å; W62-R66 PolarHBondContact O-N 2.75Å; W62-T76 HydrophobicContact CD2-CG2 3.62Å; W62-T76 HydrophobicContact CE3-CG2 3.57Å; W62-T76 HydrophobicContact CG-CG2 4.19Å; W62-T76 HydrophobicContact CH2-CG2 4.05Å; W62-T76 HydrophobicContact CZ2-CG2 4.09Å; W62-T76 HydrophobicContact CZ3-CG2 3.82Å; W62-V316 HydrophobicContact CZ3-CG1 4.29Å
63R94.9Very high94.6Very high95 Ų9541.2 Ų41.236%0.35823%0.226SC..Hα-helixtrans-63.2-41.2176.5-174.7177.3-176134.8-9.7111.7H59 Y60 K61 R66 T67 G317 D319H59-R63 WeakPolarHBondContact O-CB 3.26Å; H59-R63 PolarHBondContact O-N 3.46Å; Y60-R63 PolarHBondContact O-N 3.45Å; K61-R63 VanDerWaalsContact C-N 3.33Å; K61-R63 PolarHBondContact O-N 3.43Å; R63-R66 PolarHBondContact O-N 2.87Å; R63-T67 WeakPolarHBondContact O-CB 3.28Å; R63-T67 PolarHBondContact O-N 3.43Å; R63-T67 PolarHBondContact O-OG1 3.42Å; R63-G317 PolarHBondContact NH1-O 2.9Å; R63-G317 VanDerWaalsContact NH1-O 3.15Å; R63-D319 PolarHBondContact NH1-O 3.08Å
64A96.5Very high94.7Very high13 Ų1342.5 Ų42.511%0.10723%0.233CC..Hα-helixtrans-65-42.4174.600000112.1Y60 K61 W62 R66 T67 N68 W88 T95 L100Y60-A64 PolarHBondContact O-N 3.34Å; K61-A64 PolarHBondContact O-N 2.85Å; W62-A64 VanDerWaalsContact C-N 3.35Å; A64-R66 PolarHBondContact O-N 3.32Å; A64-T67 WeakPolarHBondContact O-CB 3.46Å; A64-T67 PolarHBondContact O-N 3.34Å; A64-N68 PolarHBondContact O-N 3.15Å; A64-W88 HydrophobicContact CB-CZ3 4.15Å; A64-T95 HydrophobicContact CB-CG2 4.43Å; A64-L100 HydrophobicContact CB-CD1 3.48Å; A64-L100 VanDerWaalsContact CB-CD1 3.48Å
65M98.2Very high94.7Very high3 Ų342.6 Ų42.62%0.01523%0.234CC..Hα-helixtrans-59.9-46.2174.7-69.4173.871.300111.9K61 W62 T67 N68 G69 V70 L74 A87 W88 T91K61-M65 VanDerWaalsContact O-CG 3.32Å; K61-M65 WeakPolarHBondContact O-CG 3.36Å; K61-M65 PolarHBondContact O-N 3.43Å; W62-M65 PolarHBondContact O-N 3.05Å; M65-T67 VanDerWaalsContact C-N 3.31Å; M65-T67 PolarHBondContact O-N 3.37Å; M65-N68 CarbonylContact O-C 3.5Å; M65-N68 WeakPolarHBondContact O-CA 3.37Å; M65-N68 PolarHBondContact O-N 2.84Å; M65-N68 VanDerWaalsContact O-N 3.1Å; M65-G69 PolarHBondContact O-N 3.11Å; M65-V70 HydrophobicContact CB-CB 4Å; M65-V70 HydrophobicContact CB-CG1 4.43Å; M65-V70 HydrophobicContact CB-CG2 4.1Å; M65-V70 HydrophobicContact CE-CG1 3.87Å; M65-V70 VanDerWaalsContact O-CB 3.25Å; M65-V70 WeakPolarHBondContact O-CB 3.3Å; M65-V70 WeakPolarHBondContact O-CG2 3.35Å; M65-V70 PolarHBondContact O-N 3.23Å; M65-L74 WeakPolarHBondContact CE-O 3.28Å; M65-A87 HydrophobicContact CE-CB 3.64Å; M65-W88 HydrophobicContact CG-CE3 3.72Å; M65-W88 HydrophobicContact CG-CZ3 4.25Å; M65-W88 HydrophobicContact SD-CB 4.23Å; M65-W88 HydrophobicContact SD-CE3 4.08Å; M65-T91 HydrophobicContact CG-CG2 4.26Å
66R96.8Very high94.7Very high44 Ų4444.1 Ų44.117%0.16624%0.243CC..Hα-helixtrans-62-38.5174.5-69.4-180-167.6123-3.6112.3W62 R63 A64 N68 G69 E72 V316W62-R66 WeakPolarHBondContact O-CG 3.47Å; W62-R66 PolarHBondContact O-N 2.75Å; R63-R66 PolarHBondContact O-N 2.87Å; A64-R66 PolarHBondContact O-N 3.32Å; R66-N68 PolarHBondContact O-N 3.18Å; R66-G69 PolarHBondContact O-N 3.34Å; R66-E72 IonicContact CZ-OE1 3.67Å; R66-E72 IonicContact CZ-OE2 3.59Å; R66-E72 IonicContact NE-OE1 3.37Å; R66-E72 PolarHBondContact NE-OE1 3.47Å; R66-E72 IonicContact NE-OE2 3.65Å; R66-E72 PolarHBondContact NE-OE2 3.13Å; R66-E72 IonicContact NH2-OE1 3.13Å; R66-E72 PolarHBondContact NH2-OE1 2.98Å; R66-E72 IonicContact NH2-OE2 2.96Å; R66-V316 PolarHBondContact NH1-O 3.25Å; R66-V316 PolarHBondContact NH2-O 3.33Å
67T96.5Very high94.7Very high119 Ų11940.8 Ų40.873%0.7324%0.237SC*.Hα-helixtrans-63.2-34.6175-56.90000111.2R63 A64 M65 G69R63-T67 WeakPolarHBondContact O-CB 3.28Å; R63-T67 PolarHBondContact O-N 3.43Å; R63-T67 PolarHBondContact O-OG1 3.42Å; A64-T67 WeakPolarHBondContact O-CB 3.46Å; A64-T67 PolarHBondContact O-N 3.34Å; M65-T67 VanDerWaalsContact C-N 3.31Å; M65-T67 PolarHBondContact O-N 3.37Å; T67-G69 PolarHBondContact O-N 2.89Å
68N97.7Very high95.1Very high64 Ų6446.4 Ų46.434%0.34226%0.261SS..THydrogen-bonded Turntrans-81.111173.8-161.839.1000113.7A64 M65 R66 V70 T91A64-N68 PolarHBondContact O-N 3.15Å; M65-N68 CarbonylContact O-C 3.5Å; M65-N68 WeakPolarHBondContact O-CA 3.37Å; M65-N68 PolarHBondContact O-N 2.84Å; M65-N68 VanDerWaalsContact O-N 3.1Å; R66-N68 PolarHBondContact O-N 3.18Å; N68-V70 VanDerWaalsContact C-N 3.28Å; N68-V70 PolarHBondContact O-N 2.91Å; N68-T91 HydrophobicContact CB-CG2 3.89Å; N68-T91 PolarHBondContact ND2-OG1 3.11Å
69G97.7Very high95.4Very high67 Ų6746.3 Ų46.369%0.69126%0.262SS*.THydrogen-bonded Turntrans72.814.417700000115M65 R66 T67 A71M65-G69 PolarHBondContact O-N 3.11Å; R66-G69 PolarHBondContact O-N 3.34Å; T67-G69 PolarHBondContact O-N 2.89Å; G69-A71 PolarHBondContact O-N 3.32Å
70V98Very high95.8Very high25 Ų2548 Ų4815%0.15228%0.276CS..  trans-66.2132.7176.6178.60000109.8M65 N68 L74 A87M65-V70 HydrophobicContact CB-CB 4Å; M65-V70 HydrophobicContact CB-CG1 4.43Å; M65-V70 HydrophobicContact CB-CG2 4.1Å; M65-V70 HydrophobicContact CE-CG1 3.87Å; M65-V70 VanDerWaalsContact O-CB 3.25Å; M65-V70 WeakPolarHBondContact O-CB 3.3Å; M65-V70 WeakPolarHBondContact O-CG2 3.35Å; M65-V70 PolarHBondContact O-N 3.23Å; N68-V70 VanDerWaalsContact C-N 3.28Å; N68-V70 PolarHBondContact O-N 2.91Å; V70-L74 HydrophobicContact CG1-CB 3.59Å; V70-L74 HydrophobicContact CG1-CD1 4.05Å; V70-L74 HydrophobicContact CG1-CG 4.47Å; V70-A87 HydrophobicContact CG1-CB 3.99Å
71A97Very high96.1Very high53 Ų5349.2 Ų49.244%0.43828%0.284SS..  trans-63.1141.4179.500000111.6G69 R73 L74G69-A71 PolarHBondContact O-N 3.32Å; A71-R73 HydrophobicContact CB-CG 4.43Å; A71-R73 PolarHBondContact O-N 2.88Å; A71-L74 WeakPolarHBondContact O-CB 3.5Å; A71-L74 PolarHBondContact O-N 3.11Å
72E95.3Very high96.2Very high45 Ų4552.7 Ų52.721%0.2130%0.297CS..G310 helixtrans-55.7-30.6-175.6-166.960.8-145.600113.5R66 L74 C75 T76 G77 L312R66-E72 IonicContact CZ-OE1 3.67Å; R66-E72 IonicContact CZ-OE2 3.59Å; R66-E72 IonicContact NE-OE1 3.37Å; R66-E72 PolarHBondContact NE-OE1 3.47Å; R66-E72 IonicContact NE-OE2 3.65Å; R66-E72 PolarHBondContact NE-OE2 3.13Å; R66-E72 IonicContact NH2-OE1 3.13Å; R66-E72 PolarHBondContact NH2-OE1 2.98Å; R66-E72 IonicContact NH2-OE2 2.96Å; E72-L74 PolarHBondContact O-N 2.82Å; E72-C75 PolarHBondContact O-N 3.34Å; E72-T76 PolarHBondContact O-N 3.16Å; E72-T76 VanDerWaalsContact O-N 3.13Å; E72-T76 PolarHBondContact OE1-OG1 3.01Å; E72-G77 PolarHBondContact O-N 2.92Å; E72-L312 HydrophobicContact CG-CD1 4.3Å; E72-L312 WeakPolarHBondContact OE1-CD1 3.47Å
73R96.2Very high96.4Very high117 Ų11754.8 Ų54.844%0.44231%0.309SS..G310 helixtrans-56.7-30.6175.283.4175.7-161.190.77.2113.3A71 G77 D78 A79 E83A71-R73 HydrophobicContact CB-CG 4.43Å; A71-R73 PolarHBondContact O-N 2.88Å; R73-G77 CarbonylContact O-C 3.57Å; R73-D78 PolarHBondContact O-N 3.04Å; R73-A79 WeakPolarHBondContact O-CB 3.34Å; R73-A79 PolarHBondContact O-N 3.44Å; R73-A79 VanDerWaalsContact O-N 3.14Å; R73-E83 IonicContact CZ-OE1 3.75Å; R73-E83 IonicContact NH1-OE1 3.96Å; R73-E83 PolarHBondContact NH1-OE1 2.84Å; R73-E83 IonicContact NH2-OE1 2.73Å; R73-E83 PolarHBondContact NH2-OE1 3.47Å
74L97.2Very high96.5Very high34 Ų3451 Ų5118%0.17830%0.295CS..G310 helixtrans-93-6.4179-64.1168.6000112.9M65 V70 A71 E72 A79 E83 K84 A87M65-L74 WeakPolarHBondContact CE-O 3.28Å; V70-L74 HydrophobicContact CG1-CB 3.59Å; V70-L74 HydrophobicContact CG1-CD1 4.05Å; V70-L74 HydrophobicContact CG1-CG 4.47Å; A71-L74 WeakPolarHBondContact O-CB 3.5Å; A71-L74 PolarHBondContact O-N 3.11Å; E72-L74 PolarHBondContact O-N 2.82Å; L74-A79 HydrophobicContact CD2-CB 3.68Å; L74-E83 HydrophobicContact CD2-CB 3.81Å; L74-K84 WeakPolarHBondContact O-CG 3.49Å; L74-A87 HydrophobicContact CB-CB 4.06Å; L74-A87 HydrophobicContact CD1-CB 4.25Å
75C94.8Very high96.6Very high1 Ų150.4 Ų50.41%0.00729%0.29CS..THydrogen-bonded Turntrans-96.4-83.3173.6-60.40000109.1E72E72-C75 PolarHBondContact O-N 3.34Å
76T91.8Very high96.6Very high34 Ų3452.9 Ų52.921%0.20930%0.303CS..THydrogen-bonded Turntrans-103.7-11.5-176.5640000113.7W62 E72W62-T76 HydrophobicContact CD2-CG2 3.62Å; W62-T76 HydrophobicContact CE3-CG2 3.57Å; W62-T76 HydrophobicContact CG-CG2 4.19Å; W62-T76 HydrophobicContact CH2-CG2 4.05Å; W62-T76 HydrophobicContact CZ2-CG2 4.09Å; W62-T76 HydrophobicContact CZ3-CG2 3.82Å; E72-T76 PolarHBondContact O-N 3.16Å; E72-T76 VanDerWaalsContact O-N 3.13Å; E72-T76 PolarHBondContact OE1-OG1 3.01Å
77G91.4Very high96.7Very high30 Ų3051.4 Ų51.431%0.30930%0.3SS..SBendtrans-80.5-147.6-172.600000115.4E72 R73 K84E72-G77 PolarHBondContact O-N 2.92Å; R73-G77 CarbonylContact O-C 3.57Å; G77-K84 WeakPolarHBondContact O-CE 3.36Å; G77-K84 PolarHBondContact O-NZ 3.39Å
78D93.9Very high96.8Very high143 Ų14345.8 Ų45.877%0.76527%0.266SS*.SBendtrans-985.6-162.865.6-18.3000115.5R73R73-D78 PolarHBondContact O-N 3.04Å
79A97.3Very high96.8Very high7 Ų742.7 Ų42.76%0.05825%0.249CC..SBendtrans-63.7157174.500000111.9R73 L74 E83 K84R73-A79 WeakPolarHBondContact O-CB 3.34Å; R73-A79 PolarHBondContact O-N 3.44Å; R73-A79 VanDerWaalsContact O-N 3.14Å; L74-A79 HydrophobicContact CD2-CB 3.68Å; A79-E83 HydrophobicContact CB-CB 4.14Å; A79-K84 HydrophobicContact CB-CG 4.07Å; A79-K84 WeakPolarHBondContact O-CE 3.4Å
80S98Very high96.9Very high58 Ų5841.4 Ų41.441%0.40623%0.232SC..  trans-63.7151.9176.663.50000111.9R82 E83 K84S80-R82 PolarHBondContact O-N 2.89Å; S80-R82 VanDerWaalsContact O-N 3.13Å; S80-E83 WeakPolarHBondContact CB-OE2 3.46Å; S80-E83 PolarHBondContact N-OE2 3.17Å; S80-E83 PolarHBondContact O-N 3.08Å; S80-E83 WeakPolarHBondContact OG-CB 3.46Å; S80-E83 VanDerWaalsContact OG-CG 3.28Å; S80-E83 WeakPolarHBondContact OG-CG 3.39Å; S80-E83 PolarHBondContact OG-N 2.83Å; S80-E83 PolarHBondContact OG-OE2 2.7Å; S80-K84 WeakPolarHBondContact O-CG 3.47Å; S80-K84 PolarHBondContact O-N 3.02Å
81D97.9Very high96.9Very high52 Ų5240.3 Ų40.328%0.27823%0.225SC..Hα-helixtrans-51-38.7177.1-69.8-0.9000112.2N49 Y51 F85 W128N49-D81 PolarHBondContact ND2-OD2 3.15Å; Y51-D81 HydrophobicContact CD1-CB 3.83Å; Y51-D81 VanDerWaalsContact CD1-OD1 3.26Å; Y51-D81 WeakPolarHBondContact CD1-OD1 3.34Å; Y51-D81 WeakPolarHBondContact CE1-OD1 3.44Å; Y51-D81 HydrophobicContact CG-CB 3.97Å; D81-F85 WeakPolarHBondContact O-CB 3.12Å; D81-F85 PolarHBondContact O-N 3.11Å; D81-W128 HydrophobicContact CB-CH2 4.33Å
82R98Very high97Very high74 Ų7437.8 Ų37.828%0.27921%0.205SC..Hα-helixtrans-67.8-47.4177.2177.960.6-158.9-109.3-4.2112.6S80 K84 F85 D86 D125 W128S80-R82 PolarHBondContact O-N 2.89Å; S80-R82 VanDerWaalsContact O-N 3.13Å; R82-K84 VanDerWaalsContact C-N 3.27Å; R82-K84 PolarHBondContact O-N 2.97Å; R82-F85 PolarHBondContact O-N 3.34Å; R82-D86 IonicContact CZ-OD1 3.45Å; R82-D86 VanDerWaalsContact CZ-OD1 3.3Å; R82-D86 IonicContact CZ-OD2 3.58Å; R82-D86 VanDerWaalsContact NE-CG 3.28Å; R82-D86 IonicContact NE-OD1 2.81Å; R82-D86 PolarHBondContact NE-OD1 3.46Å; R82-D86 IonicContact NE-OD2 3.51Å; R82-D86 PolarHBondContact NE-OD2 3.4Å; R82-D86 IonicContact NH2-OD1 3.9Å; R82-D86 PolarHBondContact NH2-OD1 2.78Å; R82-D86 IonicContact NH2-OD2 3.24Å; R82-D86 PolarHBondContact NH2-OD2 3.44Å; R82-D86 PolarHBondContact O-N 3.21Å; R82-D125 IonicContact CZ-OD1 3.39Å; R82-D125 IonicContact NH1-OD1 3.63Å; R82-D125 PolarHBondContact NH1-OD1 3.19Å; R82-D125 IonicContact NH2-OD1 2.75Å; R82-D125 PolarHBondContact NH2-OD1 2.85Å; R82-W128 HydrophobicContact CB-CH2 4.39Å; R82-W128 HydrophobicContact CB-CZ2 4.15Å
83E98.5Very high97.1Very high73 Ų7338 Ų3834%0.34121%0.209SC..Hα-helixtrans-59.4-39.8176.3-78.2170.798.700111.8R73 L74 A79 S80 D86 A87R73-E83 IonicContact CZ-OE1 3.75Å; R73-E83 IonicContact NH1-OE1 3.96Å; R73-E83 PolarHBondContact NH1-OE1 2.84Å; R73-E83 IonicContact NH2-OE1 2.73Å; R73-E83 PolarHBondContact NH2-OE1 3.47Å; L74-E83 HydrophobicContact CD2-CB 3.81Å; A79-E83 HydrophobicContact CB-CB 4.14Å; S80-E83 WeakPolarHBondContact CB-OE2 3.46Å; S80-E83 PolarHBondContact N-OE2 3.17Å; S80-E83 PolarHBondContact O-N 3.08Å; S80-E83 WeakPolarHBondContact OG-CB 3.46Å; S80-E83 VanDerWaalsContact OG-CG 3.28Å; S80-E83 WeakPolarHBondContact OG-CG 3.39Å; S80-E83 PolarHBondContact OG-N 2.83Å; S80-E83 PolarHBondContact OG-OE2 2.7Å; E83-D86 PolarHBondContact O-N 3.14Å; E83-A87 WeakPolarHBondContact O-CB 3.48Å; E83-A87 PolarHBondContact O-N 2.99Å
84K98.3Very high97.2Very high15 Ų1538.9 Ų38.97%0.06522%0.218CC..Hα-helixtrans-65.8-41.3177.1-65.7-178.4176.1167.30111.5Y51 L74 G77 A79 S80 R82 A87 W88Y51-K84 HydrophobicContact CD2-CB 3.71Å; Y51-K84 HydrophobicContact CD2-CD 4.07Å; Y51-K84 HydrophobicContact CE1-CD 4.39Å; Y51-K84 HydrophobicContact CE2-CB 3.67Å; Y51-K84 HydrophobicContact CE2-CD 3.3Å; Y51-K84 HydrophobicContact CE2-CG 4.13Å; Y51-K84 VanDerWaalsContact CZ-CD 3.48Å; Y51-K84 WeakPolarHBondContact OH-CD 3.47Å; Y51-K84 PolarHBondContact OH-NZ 3.49Å; Y51-K84 VanDerWaalsContact OH-NZ 3.16Å; L74-K84 WeakPolarHBondContact O-CG 3.49Å; G77-K84 WeakPolarHBondContact O-CE 3.36Å; G77-K84 PolarHBondContact O-NZ 3.39Å; A79-K84 HydrophobicContact CB-CG 4.07Å; A79-K84 WeakPolarHBondContact O-CE 3.4Å; S80-K84 WeakPolarHBondContact O-CG 3.47Å; S80-K84 PolarHBondContact O-N 3.02Å; R82-K84 VanDerWaalsContact C-N 3.27Å; R82-K84 PolarHBondContact O-N 2.97Å; K84-A87 PolarHBondContact O-N 2.87Å; K84-W88 PolarHBondContact O-N 2.81Å
85F98.2Very high97.3Very high0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-63.4-44.6173.6173.4-98.3000112.5L50 W54 L55 D81 R82 A87 W88 A89 L119 A124 I127 W128L50-F85 HydrophobicContact CD2-CD2 4.03Å; L50-F85 HydrophobicContact CD2-CE2 3.38Å; L50-F85 HydrophobicContact CD2-CZ 3.84Å; L50-F85 HydrophobicContact CG-CD2 4.37Å; L50-F85 HydrophobicContact CG-CE2 4.14Å; W54-F85 HydrophobicContact CE3-CE2 4.22Å; W54-F85 AromaticContact CZ3-CE2 3.97Å; W54-F85 HydrophobicContact CZ3-CE2 3.97Å; L55-F85 HydrophobicContact CD1-CB 4.28Å; L55-F85 HydrophobicContact CD1-CD2 4.26Å; D81-F85 WeakPolarHBondContact O-CB 3.12Å; D81-F85 PolarHBondContact O-N 3.11Å; R82-F85 PolarHBondContact O-N 3.34Å; F85-A87 VanDerWaalsContact C-N 3.26Å; F85-A87 PolarHBondContact O-N 3.24Å; F85-W88 CarbonylContact O-C 3.42Å; F85-W88 WeakPolarHBondContact O-CA 3.16Å; F85-W88 WeakPolarHBondContact O-CB 3.38Å; F85-W88 PolarHBondContact O-N 3.15Å; F85-A89 HydrophobicContact CE1-CB 4.46Å; F85-A89 PolarHBondContact O-N 3.2Å; F85-L119 HydrophobicContact CE2-CD1 4.45Å; F85-L119 HydrophobicContact CE2-CD2 4.46Å; F85-L119 HydrophobicContact CZ-CD1 3.92Å; F85-A124 HydrophobicContact CE1-CB 3.97Å; F85-A124 WeakPolarHBondContact CE1-O 3.33Å; F85-I127 HydrophobicContact CZ-CG2 4.32Å; F85-W128 HydrophobicContact CB-CE3 3.75Å; F85-W128 HydrophobicContact CB-CH2 4.41Å; F85-W128 HydrophobicContact CB-CZ3 3.44Å; F85-W128 VanDerWaalsContact CB-CZ3 3.44Å; F85-W128 HydrophobicContact CD1-CB 4.31Å; F85-W128 HydrophobicContact CD1-CD2 4.11Å; F85-W128 AromaticContact CD1-CE3 3.36Å; F85-W128 HydrophobicContact CD1-CE3 3.36Å; F85-W128 HydrophobicContact CD1-CZ3 4.02Å; F85-W128 AromaticContact CD2-CE3 3.87Å; F85-W128 HydrophobicContact CD2-CE3 3.87Å; F85-W128 HydrophobicContact CD2-CZ3 4.11Å; F85-W128 HydrophobicContact CE1-CB 3.79Å; F85-W128 HydrophobicContact CE1-CD2 4.43Å; F85-W128 AromaticContact CE1-CE3 3.88Å; F85-W128 HydrophobicContact CE1-CE3 3.88Å; F85-W128 HydrophobicContact CE1-CG 4.46Å; F85-W128 HydrophobicContact CE2-CE3 4.34Å; F85-W128 HydrophobicContact CG-CD2 4.47Å; F85-W128 AromaticContact CG-CE3 3.35Å; F85-W128 HydrophobicContact CG-CE3 3.35Å; F85-W128 AromaticContact CG-CZ3 3.58Å; F85-W128 HydrophobicContact CG-CZ3 3.58Å; F85-W128 HydrophobicContact CZ-CB 4.31Å; F85-W128 HydrophobicContact CZ-CE3 4.33Å
86D98.6Very high97.3Very high56 Ų5643.6 Ų43.630%0.29924%0.243SC..Hα-helixtrans-61-38.2177.1-70.3-32.8000111.2R82 E83 W88 A89 A90R82-D86 IonicContact CZ-OD1 3.45Å; R82-D86 VanDerWaalsContact CZ-OD1 3.3Å; R82-D86 IonicContact CZ-OD2 3.58Å; R82-D86 VanDerWaalsContact NE-CG 3.28Å; R82-D86 IonicContact NE-OD1 2.81Å; R82-D86 PolarHBondContact NE-OD1 3.46Å; R82-D86 IonicContact NE-OD2 3.51Å; R82-D86 PolarHBondContact NE-OD2 3.4Å; R82-D86 IonicContact NH2-OD1 3.9Å; R82-D86 PolarHBondContact NH2-OD1 2.78Å; R82-D86 IonicContact NH2-OD2 3.24Å; R82-D86 PolarHBondContact NH2-OD2 3.44Å; R82-D86 PolarHBondContact O-N 3.21Å; E83-D86 PolarHBondContact O-N 3.14Å; D86-W88 VanDerWaalsContact C-N 3.34Å; D86-W88 PolarHBondContact O-N 3.23Å; D86-A89 PolarHBondContact O-N 2.83Å; D86-A90 WeakPolarHBondContact O-CB 3.44Å; D86-A90 PolarHBondContact O-N 3.18Å
87A98.5Very high97.3Very high13 Ų1345.9 Ų45.911%0.10727%0.273CS..Hα-helixtrans-64.9-36.6173.800000112.5M65 V70 L74 E83 K84 F85 T91M65-A87 HydrophobicContact CE-CB 3.64Å; V70-A87 HydrophobicContact CG1-CB 3.99Å; L74-A87 HydrophobicContact CB-CB 4.06Å; L74-A87 HydrophobicContact CD1-CB 4.25Å; E83-A87 WeakPolarHBondContact O-CB 3.48Å; E83-A87 PolarHBondContact O-N 2.99Å; K84-A87 PolarHBondContact O-N 2.87Å; F85-A87 VanDerWaalsContact C-N 3.26Å; F85-A87 PolarHBondContact O-N 3.24Å; A87-T91 WeakPolarHBondContact O-CB 3.31Å; A87-T91 PolarHBondContact O-N 3.5Å; A87-T91 VanDerWaalsContact O-N 3.12Å; A87-T91 PolarHBondContact O-OG1 2.97Å
88W98.4Very high97.4Very high0 Ų047.6 Ų47.60%028%0.275CS..Hα-helixtrans-67.2-47.3171.4177.3-120.4000111.9L55 K61 A64 M65 K84 F85 D86 A90 T91 V92 T95 L100 T104L55-W88 HydrophobicContact CD1-CB 3.74Å; L55-W88 HydrophobicContact CD1-CG 4.11Å; L55-W88 HydrophobicContact CD2-CB 4.05Å; L55-W88 HydrophobicContact CD2-CD2 4.03Å; L55-W88 HydrophobicContact CD2-CG 3.6Å; K61-W88 HydrophobicContact CB-CE3 4.25Å; K61-W88 HydrophobicContact CB-CH2 4.08Å; K61-W88 HydrophobicContact CB-CZ2 4.36Å; K61-W88 HydrophobicContact CB-CZ3 4.01Å; K61-W88 HydrophobicContact CD-CH2 4.38Å; K61-W88 HydrophobicContact CD-CZ2 3.85Å; K61-W88 HydrophobicContact CG-CH2 3.79Å; K61-W88 HydrophobicContact CG-CZ2 3.77Å; K61-W88 HydrophobicContact CG-CZ3 4.26Å; A64-W88 HydrophobicContact CB-CZ3 4.15Å; M65-W88 HydrophobicContact CG-CE3 3.72Å; M65-W88 HydrophobicContact CG-CZ3 4.25Å; M65-W88 HydrophobicContact SD-CB 4.23Å; M65-W88 HydrophobicContact SD-CE3 4.08Å; K84-W88 PolarHBondContact O-N 2.81Å; F85-W88 CarbonylContact O-C 3.42Å; F85-W88 WeakPolarHBondContact O-CA 3.16Å; F85-W88 WeakPolarHBondContact O-CB 3.38Å; F85-W88 PolarHBondContact O-N 3.15Å; D86-W88 VanDerWaalsContact C-N 3.34Å; D86-W88 PolarHBondContact O-N 3.23Å; W88-A90 PolarHBondContact O-N 3.26Å; W88-T91 HydrophobicContact CE3-CG2 4.15Å; W88-T91 HydrophobicContact CZ3-CG2 3.94Å; W88-T91 CarbonylContact O-C 3.57Å; W88-T91 WeakPolarHBondContact O-CA 3.43Å; W88-T91 WeakPolarHBondContact O-CB 3.4Å; W88-T91 PolarHBondContact O-N 3.21Å; W88-V92 HydrophobicContact CD2-CG2 3.84Å; W88-V92 HydrophobicContact CE3-CG2 4.37Å; W88-V92 HydrophobicContact CG-CG2 4.33Å; W88-V92 HydrophobicContact CH2-CG2 4.06Å; W88-V92 HydrophobicContact CZ2-CG2 3.5Å; W88-V92 VanDerWaalsContact CZ2-CG2 3.5Å; W88-V92 HydrophobicContact CZ3-CG2 4.46Å; W88-V92 WeakPolarHBondContact O-CG2 3.06Å; W88-V92 PolarHBondContact O-N 3.07Å; W88-T95 HydrophobicContact CH2-CG2 4.49Å; W88-L100 HydrophobicContact CH2-CB 4.23Å; W88-L100 HydrophobicContact CH2-CD1 4.18Å; W88-T104 WeakPolarHBondContact CZ2-OG1 3.36Å
89A98.6Very high97.4Very high0 Ų042.1 Ų42.10%025%0.247CC..Hα-helixtrans-59.7-35.117800000112.3F85 D86 T91 P93 L119 S120 P121 A124F85-A89 HydrophobicContact CE1-CB 4.46Å; F85-A89 PolarHBondContact O-N 3.2Å; D86-A89 PolarHBondContact O-N 2.83Å; A89-T91 VanDerWaalsContact C-N 3.33Å; A89-P93 WeakPolarHBondContact O-CD 3.25Å; A89-L119 HydrophobicContact CB-CD1 3.74Å; A89-L119 HydrophobicContact CB-CG 4.13Å; A89-S120 WeakPolarHBondContact O-CA 3.31Å; A89-P121 WeakPolarHBondContact O-CD 3.31Å; A89-A124 HydrophobicContact CB-CB 3.75Å
90A98.6Very high97.4Very high40 Ų4042 Ų4233%0.33125%0.246SC..Hα-helixtrans-70.7-26.517100000113.5D86 W88 H94 P121D86-A90 WeakPolarHBondContact O-CB 3.44Å; D86-A90 PolarHBondContact O-N 3.18Å; W88-A90 PolarHBondContact O-N 3.26Å; A90-H94 PolarHBondContact O-CD2 2.93Å; A90-H94 VanDerWaalsContact O-CD2 3.28Å; A90-P121 HydrophobicContact CB-CG 4.08Å
91T98.7Very high97.3Very high2 Ų240.6 Ų40.61%0.01223%0.232CC..Hα-helixtrans-81.9-36.8179.2-61.40000112.7M65 N68 A87 W88 A89 H94 T95M65-T91 HydrophobicContact CG-CG2 4.26Å; N68-T91 HydrophobicContact CB-CG2 3.89Å; N68-T91 PolarHBondContact ND2-OG1 3.11Å; A87-T91 WeakPolarHBondContact O-CB 3.31Å; A87-T91 PolarHBondContact O-N 3.5Å; A87-T91 VanDerWaalsContact O-N 3.12Å; A87-T91 PolarHBondContact O-OG1 2.97Å; W88-T91 HydrophobicContact CE3-CG2 4.15Å; W88-T91 HydrophobicContact CZ3-CG2 3.94Å; W88-T91 CarbonylContact O-C 3.57Å; W88-T91 WeakPolarHBondContact O-CA 3.43Å; W88-T91 WeakPolarHBondContact O-CB 3.4Å; W88-T91 PolarHBondContact O-N 3.21Å; A89-T91 VanDerWaalsContact C-N 3.33Å; T91-H94 WeakPolarHBondContact O-CA 3.37Å; T91-H94 WeakPolarHBondContact O-CB 3.45Å; T91-H94 PolarHBondContact O-N 3.27Å; T91-T95 HydrophobicContact CG2-CG2 4.26Å
92V98.6Very high97.3Very high0 Ų040.1 Ų40.10%023%0.228CC..G310 helixtrans-54-43.4-174.7170.40000114.2W88 H94 T95 Y101 T104 L119W88-V92 HydrophobicContact CD2-CG2 3.84Å; W88-V92 HydrophobicContact CE3-CG2 4.37Å; W88-V92 HydrophobicContact CG-CG2 4.33Å; W88-V92 HydrophobicContact CH2-CG2 4.06Å; W88-V92 HydrophobicContact CZ2-CG2 3.5Å; W88-V92 VanDerWaalsContact CZ2-CG2 3.5Å; W88-V92 HydrophobicContact CZ3-CG2 4.46Å; W88-V92 WeakPolarHBondContact O-CG2 3.06Å; W88-V92 PolarHBondContact O-N 3.07Å; V92-H94 PolarHBondContact O-N 2.94Å; V92-T95 PolarHBondContact O-N 3.1Å; V92-T95 PolarHBondContact O-OG1 2.76Å; V92-Y101 HydrophobicContact CG1-CD2 3.83Å; V92-Y101 HydrophobicContact CG1-CE2 3.84Å; V92-Y101 VanDerWaalsContact O-CD2 3.26Å; V92-Y101 WeakPolarHBondContact O-CD2 3.46Å; V92-Y101 WeakPolarHBondContact O-CE2 3.49Å; V92-T104 HydrophobicContact CG1-CG2 4.23Å; V92-T104 HydrophobicContact CG2-CG2 4.11Å; V92-L119 HydrophobicContact CB-CG 4.43Å; V92-L119 HydrophobicContact CG1-CB 4.2Å; V92-L119 WeakPolarHBondContact CG1-O 3.49Å; V92-L119 HydrophobicContact CG2-CD2 3.92Å; V92-L119 HydrophobicContact CG2-CG 4.31Å
93P98.4Very high97.1Very high48 Ų4836.8 Ų36.831%0.31222%0.215SC..G310 helixtrans-56.9-25.7175.5-28.236.6000114.3A89 T95A89-P93 WeakPolarHBondContact O-CD 3.25Å; P93-T95 VanDerWaalsContact C-N 3.34Å
94H98.3Very high97.1Very high136 Ų13633.3 Ų33.363%0.6320%0.199SC*.G310 helixtrans-86-2177.2-59.3-75.3000113.6A90 T91 V92A90-H94 PolarHBondContact O-CD2 2.93Å; A90-H94 VanDerWaalsContact O-CD2 3.28Å; T91-H94 WeakPolarHBondContact O-CA 3.37Å; T91-H94 WeakPolarHBondContact O-CB 3.45Å; T91-H94 PolarHBondContact O-N 3.27Å; V92-H94 PolarHBondContact O-N 2.94Å
95T97.7Very high97.1Very high9 Ų932.9 Ų32.96%0.05520%0.197CC..G310 helixtrans-96.110.8178.668.90000113.4A64 W88 T91 V92 P93 G97 N98 Y101A64-T95 HydrophobicContact CB-CG2 4.43Å; W88-T95 HydrophobicContact CH2-CG2 4.49Å; T91-T95 HydrophobicContact CG2-CG2 4.26Å; V92-T95 PolarHBondContact O-N 3.1Å; V92-T95 PolarHBondContact O-OG1 2.76Å; P93-T95 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 2.99Å; T95-N98 WeakPolarHBondContact O-CA 3.36Å; T95-N98 WeakPolarHBondContact O-CB 3.42Å; T95-N98 PolarHBondContact O-N 3.49Å; T95-Y101 WeakPolarHBondContact O-CB 3.43Å
96I95.8Very high97Very high126 Ų12632.9 Ų32.965%0.64620%0.197SC*.THydrogen-bonded Turntrans-55.4127.4172.4-67171.2000110.1N98 Y101I96-N98 VanDerWaalsContact C-N 3.3Å; I96-Y101 HydrophobicContact CG1-CD2 4.08Å; I96-Y101 HydrophobicContact CG1-CE1 4.42Å; I96-Y101 HydrophobicContact CG1-CE2 3.88Å; I96-Y101 HydrophobicContact CG1-CG 4.43Å
97G91.1Very high96.9Very high82 Ų8230.3 Ų30.385%0.84518%0.183SC*.THydrogen-bonded Turntrans88.4-12.3-173.400000114.4T95T95-G97 PolarHBondContact O-N 2.99Å
98N94.2Very high96.8Very high66 Ų6629.8 Ų29.835%0.35318%0.179SC..SBendtrans-92.5142.4169.2-173.7-66.8000109.8T95 I96 L100 Y101T95-N98 WeakPolarHBondContact O-CA 3.36Å; T95-N98 WeakPolarHBondContact O-CB 3.42Å; T95-N98 PolarHBondContact O-N 3.49Å; I96-N98 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 2.9Å; N98-L100 VanDerWaalsContact O-N 3.11Å; N98-L100 WeakPolarHBondContact OD1-CB 3.19Å; N98-L100 WeakPolarHBondContact OD1-CD1 3.14Å; N98-L100 WeakPolarHBondContact OD1-CG 3.22Å; N98-L100 PolarHBondContact OD1-N 3.34Å; N98-Y101 PolarHBondContact O-N 2.86Å
99P94.2Very high96.7Very high27 Ų2730.6 Ų30.618%0.17518%0.182CC..Hα-helixtrans-54.1-30.5177.226.6-41.5000113.7Y101 H102 W103 Q386P99-Y101 PolarHBondContact O-N 3.13Å; P99-Y101 VanDerWaalsContact O-N 3.11Å; P99-H102 PolarHBondContact O-N 2.84Å; P99-W103 HydrophobicContact CB-CD2 4.16Å; P99-W103 HydrophobicContact CB-CH2 4.13Å; P99-W103 HydrophobicContact CB-CZ2 3.66Å; P99-W103 HydrophobicContact CG-CH2 4.23Å; P99-W103 HydrophobicContact CG-CZ2 4.23Å; P99-W103 PolarHBondContact O-N 3.39Å; P99-Q386 HydrophobicContact CB-CB 3.83Å; P99-Q386 HydrophobicContact CG-CB 3.71Å
100L95.8Very high96.3Very high6 Ų633.9 Ų33.93%0.03119%0.194CC..Hα-helixtrans-55.8-30.4178.2-70.3170.6000112.4K61 A64 W88 N98 W103 T104K61-L100 HydrophobicContact CG-CD2 3.94Å; A64-L100 HydrophobicContact CB-CD1 3.48Å; A64-L100 VanDerWaalsContact CB-CD1 3.48Å; W88-L100 HydrophobicContact CH2-CB 4.23Å; W88-L100 HydrophobicContact CH2-CD1 4.18Å; N98-L100 PolarHBondContact O-N 2.9Å; N98-L100 VanDerWaalsContact O-N 3.11Å; N98-L100 WeakPolarHBondContact OD1-CB 3.19Å; N98-L100 WeakPolarHBondContact OD1-CD1 3.14Å; N98-L100 WeakPolarHBondContact OD1-CG 3.22Å; N98-L100 PolarHBondContact OD1-N 3.34Å; L100-W103 HydrophobicContact CD2-CE3 3.86Å; L100-W103 HydrophobicContact CD2-CZ3 4.11Å; L100-T104 WeakPolarHBondContact O-CB 3.41Å; L100-T104 PolarHBondContact O-N 2.79Å; L100-T104 PolarHBondContact O-OG1 3.35Å
101Y97.4Very high96Very high27 Ų2732.3 Ų32.311%0.10618%0.181CC..Hα-helixtrans-66.2-46.4174.8-160.8-97.9000111F4 V92 T95 I96 N98 P99 H105F4-Y101 HydrophobicContact CE1-CD1 4.28Å; F4-Y101 AromaticContact CE1-CE1 3.83Å; F4-Y101 HydrophobicContact CE1-CE1 3.83Å; F4-Y101 HydrophobicContact CE2-CD1 4.29Å; F4-Y101 HydrophobicContact CE2-CE1 4.32Å; F4-Y101 AromaticContact CZ-CD1 3.71Å; F4-Y101 HydrophobicContact CZ-CD1 3.71Å; F4-Y101 AromaticContact CZ-CE1 3.69Å; F4-Y101 HydrophobicContact CZ-CE1 3.69Å; V92-Y101 HydrophobicContact CG1-CD2 3.83Å; V92-Y101 HydrophobicContact CG1-CE2 3.84Å; V92-Y101 VanDerWaalsContact O-CD2 3.26Å; V92-Y101 WeakPolarHBondContact O-CD2 3.46Å; V92-Y101 WeakPolarHBondContact O-CE2 3.49Å; T95-Y101 WeakPolarHBondContact O-CB 3.43Å; I96-Y101 HydrophobicContact CG1-CD2 4.08Å; I96-Y101 HydrophobicContact CG1-CE1 4.42Å; I96-Y101 HydrophobicContact CG1-CE2 3.88Å; I96-Y101 HydrophobicContact CG1-CG 4.43Å; N98-Y101 PolarHBondContact O-N 2.86Å; P99-Y101 PolarHBondContact O-N 3.13Å; P99-Y101 VanDerWaalsContact O-N 3.11Å; Y101-H105 AromaticContact CD1-ND1 3.92Å; Y101-H105 AromaticContact CE1-CE1 3.7Å; Y101-H105 AromaticContact CE1-ND1 3.92Å; Y101-H105 AromaticContact CE2-CE1 3.7Å; Y101-H105 AromaticContact CZ-CE1 3.53Å; Y101-H105 PolarHBondContact O-N 3.16Å; Y101-H105 PolarHBondContact O-ND1 3.36Å
102H96.6Very high95.9Very high43 Ų4332.8 Ų32.820%0.19918%0.183CC..Hα-helixtrans-66.4-46.8177.7-63.2168.4000111.5F4 F9 P99 T104 H105 L106 Y424F4-H102 AromaticContact CE2-CD2 3.68Å; F4-H102 AromaticContact CE2-NE2 3.97Å; F4-H102 AromaticContact CZ-CD2 3.98Å; F9-H102 HydrophobicContact CE1-CB 4.46Å; F9-H102 HydrophobicContact CZ-CB 4.2Å; F9-H102 AromaticContact CZ-CD2 3.75Å; F9-H102 AromaticContact CZ-CE1 3.81Å; F9-H102 AromaticContact CZ-CG 3.65Å; F9-H102 AromaticContact CZ-ND1 3.69Å; F9-H102 AromaticContact CZ-NE2 3.85Å; P99-H102 PolarHBondContact O-N 2.84Å; H102-T104 PolarHBondContact O-N 3.43Å; H102-H105 PolarHBondContact O-N 3.15Å; H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.03Å; H102-Y424 HydrophobicContact CB-CD2 4.45Å; H102-Y424 HydrophobicContact CB-CE2 3.72Å; H102-Y424 AromaticContact ND1-CE2 3.57Å; H102-Y424 AromaticContact ND1-CZ 3.64Å; H102-Y424 PolarHBondContact ND1-OH 3.44Å
103W95.7Very high95.6Very high3 Ų335.2 Ų35.21%0.01121%0.208CC..Hα-helixtrans-61.3-46.7180-59.5-14.3000111.4P99 L100 H105 L106 E107 D385 Y424P99-W103 HydrophobicContact CB-CD2 4.16Å; P99-W103 HydrophobicContact CB-CH2 4.13Å; P99-W103 HydrophobicContact CB-CZ2 3.66Å; P99-W103 HydrophobicContact CG-CH2 4.23Å; P99-W103 HydrophobicContact CG-CZ2 4.23Å; P99-W103 PolarHBondContact O-N 3.39Å; L100-W103 HydrophobicContact CD2-CE3 3.86Å; L100-W103 HydrophobicContact CD2-CZ3 4.11Å; W103-H105 VanDerWaalsContact C-N 3.25Å; W103-H105 PolarHBondContact O-N 3Å; W103-L106 PolarHBondContact O-N 3.22Å; W103-L106 VanDerWaalsContact O-N 3.1Å; W103-E107 VanDerWaalsContact O-CB 3.28Å; W103-E107 WeakPolarHBondContact O-CB 3.34Å; W103-E107 WeakPolarHBondContact O-CG 3.43Å; W103-E107 PolarHBondContact O-N 3.42Å; W103-D385 VanDerWaalsContact CH2-OD1 3.29Å; W103-D385 WeakPolarHBondContact CH2-OD1 3.34Å; W103-D385 VanDerWaalsContact CH2-OD2 3.28Å; W103-D385 WeakPolarHBondContact CH2-OD2 3.27Å; W103-D385 WeakPolarHBondContact CZ2-O 3.46Å; W103-Y424 AromaticContact NE1-CD1 3.81Å
104T97.4Very high95.4Very high0 Ų033.3 Ų33.30%020%0.195CC..Hα-helixtrans-52-45.9177.6-63.90000111.5W54 W88 V92 L100 H102 E107 L108 L119W54-T104 HydrophobicContact CH2-CG2 3.56Å; W54-T104 HydrophobicContact CZ2-CG2 3.46Å; W54-T104 VanDerWaalsContact CZ2-CG2 3.46Å; W54-T104 WeakPolarHBondContact CZ2-O 3.47Å; W88-T104 WeakPolarHBondContact CZ2-OG1 3.36Å; V92-T104 HydrophobicContact CG1-CG2 4.23Å; V92-T104 HydrophobicContact CG2-CG2 4.11Å; L100-T104 WeakPolarHBondContact O-CB 3.41Å; L100-T104 PolarHBondContact O-N 2.79Å; L100-T104 PolarHBondContact O-OG1 3.35Å; H102-T104 PolarHBondContact O-N 3.43Å; T104-E107 PolarHBondContact O-N 3.11Å; T104-L108 WeakPolarHBondContact O-CG 3.29Å; T104-L108 PolarHBondContact O-N 3.15Å; T104-L119 HydrophobicContact CG2-CB 4.18Å; T104-L119 HydrophobicContact CG2-CD2 3.88Å
105H97.9Very high95.2Very high7 Ų731.2 Ų31.23%0.03219%0.192CC..Hα-helixtrans-79.4-28-177.1-63.494.6000113F4 M5 Y101 H102 W103 R109 L118 L119F4-H105 HydrophobicContact CE1-CB 4.07Å; F4-H105 AromaticContact CE1-CG 3.86Å; F4-H105 AromaticContact CE1-ND1 3.92Å; F4-H105 HydrophobicContact CZ-CB 4.43Å; M5-H105 HydrophobicContact CE-CB 4.18Å; Y101-H105 AromaticContact CD1-ND1 3.92Å; Y101-H105 AromaticContact CE1-CE1 3.7Å; Y101-H105 AromaticContact CE1-ND1 3.92Å; Y101-H105 AromaticContact CE2-CE1 3.7Å; Y101-H105 AromaticContact CZ-CE1 3.53Å; Y101-H105 PolarHBondContact O-N 3.16Å; Y101-H105 PolarHBondContact O-ND1 3.36Å; H102-H105 PolarHBondContact O-N 3.15Å; W103-H105 VanDerWaalsContact C-N 3.25Å; W103-H105 PolarHBondContact O-N 3Å; H105-R109 WeakPolarHBondContact O-CB 3.29Å; H105-R109 PolarHBondContact O-N 2.92Å; H105-L118 VanDerWaalsContact NE2-CA 3.32Å; H105-L118 WeakPolarHBondContact NE2-CA 3.45Å; H105-L119 PolarHBondContact NE2-N 2.95Å
106L96.4Very high94.8Very high0 Ų035.1 Ų35.10%023%0.234CC..Hα-helixtrans-68.7-40.4168.5-74.3170.9000111.4M5 H102 W103 L108 R109 R110 T420 Y424M5-L106 HydrophobicContact CE-CG 4.26Å; M5-L106 HydrophobicContact SD-CD2 3.64Å; M5-L106 HydrophobicContact SD-CG 3.97Å; H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.03Å; W103-L106 PolarHBondContact O-N 3.22Å; W103-L106 VanDerWaalsContact O-N 3.1Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 3.12Å; L106-R109 PolarHBondContact O-N 2.84Å; L106-R109 VanDerWaalsContact O-N 3.14Å; L106-R110 WeakPolarHBondContact O-CG 3.37Å; L106-R110 PolarHBondContact O-N 3.06Å; L106-T420 HydrophobicContact CB-CG2 4.23Å; L106-Y424 HydrophobicContact CD1-CD2 3.81Å; L106-Y424 HydrophobicContact CD1-CG 4.45Å
107E96.4Very high94.7Very high1 Ų131.8 Ų31.81%0.00522%0.215CC..Hα-helixtrans-64.9-32.3176.6-70.3169.6146.400111.7W54 K61 W103 T104 P111 F112 L417 T420W54-E107 HydrophobicContact CZ2-CB 4.24Å; W54-E107 PolarHBondContact NE1-OE2 2.83Å; K61-E107 IonicContact NZ-OE1 2.74Å; K61-E107 IonicContact NZ-OE2 2.72Å; K61-E107 PolarHBondContact NZ-OE2 3.26Å; W103-E107 VanDerWaalsContact O-CB 3.28Å; W103-E107 WeakPolarHBondContact O-CB 3.34Å; W103-E107 WeakPolarHBondContact O-CG 3.43Å; W103-E107 PolarHBondContact O-N 3.42Å; T104-E107 PolarHBondContact O-N 3.11Å; E107-P111 WeakPolarHBondContact O-CD 3.28Å; E107-P111 WeakPolarHBondContact O-CG 3.39Å; E107-F112 VanDerWaalsContact O-CD2 3.32Å; E107-F112 WeakPolarHBondContact O-CD2 3.44Å; E107-L417 HydrophobicContact CB-CB 4.42Å; E107-L417 HydrophobicContact CG-CB 4.05Å; E107-T420 HydrophobicContact CG-CG2 4.32Å; E107-T420 WeakPolarHBondContact CG-OG1 3.5Å
108L97.4Very high95Very high2 Ų231.5 Ų31.51%0.0119%0.193CC..Hα-helixtrans-73.2-40.9168.7-72.3174.1000112.1W54 T104 L106 F112 G113 I114 L119 I127W54-L108 HydrophobicContact CH2-CD1 3.95Å; W54-L108 HydrophobicContact CH2-CD2 3.59Å; W54-L108 HydrophobicContact CH2-CG 3.59Å; W54-L108 HydrophobicContact CZ2-CD2 4.3Å; W54-L108 HydrophobicContact CZ2-CG 4.04Å; W54-L108 HydrophobicContact CZ3-CD2 3.97Å; W54-L108 HydrophobicContact CZ3-CG 4.46Å; T104-L108 WeakPolarHBondContact O-CG 3.29Å; T104-L108 PolarHBondContact O-N 3.15Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 3.12Å; L108-F112 VanDerWaalsContact O-CB 3.31Å; L108-F112 WeakPolarHBondContact O-CB 3.48Å; L108-G113 PolarHBondContact O-N 2.75Å; L108-I114 HydrophobicContact CB-CB 4.21Å; L108-I114 HydrophobicContact CB-CG2 4.46Å; L108-I114 HydrophobicContact CD2-CD1 4.21Å; L108-I114 PolarHBondContact O-N 2.84Å; L108-I114 VanDerWaalsContact O-N 3.13Å; L108-L119 HydrophobicContact CD1-CB 4.22Å; L108-I127 HydrophobicContact CD1-CD1 4.1Å; L108-I127 HydrophobicContact CD1-CG2 4.46Å; L108-I127 HydrophobicContact CD2-CG2 3.61Å
109R94.9Very high95.2Very high17 Ų1728.4 Ų28.46%0.06418%0.177CC..Hα-helixtrans-72.9-40.5-172.9-177.2175-176.4-171.44.2113.7M5 T6 E7 H105 L106 G113 I114 T115M5-R109 PolarHBondContact O-NH1 3.05Å; T6-R109 PolarHBondContact O-NH1 3.03Å; T6-R109 PolarHBondContact O-NH2 3.46Å; E7-R109 IonicContact OE1-CZ 3.31Å; E7-R109 IonicContact OE1-NH2 3Å; E7-R109 PolarHBondContact OE1-NH2 3.11Å; E7-R109 IonicContact OE2-NH2 2.81Å; E7-R109 PolarHBondContact OE2-NH2 3.15Å; H105-R109 WeakPolarHBondContact O-CB 3.29Å; H105-R109 PolarHBondContact O-N 2.92Å; L106-R109 PolarHBondContact O-N 2.84Å; L106-R109 VanDerWaalsContact O-N 3.14Å; R109-G113 WeakPolarHBondContact O-CA 3.42Å; R109-G113 PolarHBondContact O-N 2.87Å; R109-G113 VanDerWaalsContact O-N 3.12Å; R109-I114 VanDerWaalsContact CA-O 3.31Å; R109-I114 WeakPolarHBondContact CA-O 3.37Å; R109-T115 HydrophobicContact CG-CG2 3.82Å
110R92Very high95.4Very high70 Ų7028 Ų2826%0.26418%0.175SC..THydrogen-bonded Turntrans-82.2-63.4-167.4-64.1-62171.7-131.70113.3L106 M149 T420 E423L106-R110 WeakPolarHBondContact O-CG 3.37Å; L106-R110 PolarHBondContact O-N 3.06Å; R110-M149 HydrophobicContact CB-CE 4.17Å; R110-M149 HydrophobicContact CB-SD 4.18Å; R110-T420 HydrophobicContact CB-CG2 3.93Å; R110-T420 HydrophobicContact CG-CG2 4.03Å; R110-E423 WeakPolarHBondContact CD-OE2 3.43Å; R110-E423 WeakPolarHBondContact CG-OE2 3.25Å; R110-E423 IonicContact CZ-OE1 3.35Å; R110-E423 IonicContact CZ-OE2 3.82Å; R110-E423 VanDerWaalsContact NE-CD 3.32Å; R110-E423 IonicContact NE-OE1 3.65Å; R110-E423 PolarHBondContact NE-OE1 3.28Å; R110-E423 IonicContact NE-OE2 2.58Å; R110-E423 PolarHBondContact NE-OE2 2.72Å; R110-E423 IonicContact NH2-OE1 2.63Å; R110-E423 PolarHBondContact NH2-OE1 2.96Å; R110-E423 IonicContact NH2-OE2 3.04Å
111P91.4Very high95.5Very high7 Ų731.7 Ų31.75%0.04520%0.199CC..THydrogen-bonded Turntrans-70.9-37.2177.323.2-29000111.9E107 F140 I145 L417E107-P111 WeakPolarHBondContact O-CD 3.28Å; E107-P111 WeakPolarHBondContact O-CG 3.39Å; P111-F140 HydrophobicContact CB-CE1 4.24Å; P111-F140 VanDerWaalsContact O-CE1 3.24Å; P111-F140 WeakPolarHBondContact O-CE1 3.48Å; P111-F140 WeakPolarHBondContact O-CZ 3.42Å; P111-I145 HydrophobicContact CB-CD1 3.97Å; P111-L417 HydrophobicContact CB-CD2 4.15Å; P111-L417 HydrophobicContact CG-CD2 3.53Å
112F95.8Very high95.6Very high12 Ų1235.8 Ų35.85%0.05323%0.231CC..THydrogen-bonded Turntrans-97.2-8.1-173.5-52.7-81.6000115.2L50 E107 L108 I114 C131 L134 L135 F140 L417L50-F112 HydrophobicContact CD1-CE2 4.41Å; L50-F112 HydrophobicContact CD1-CZ 4.2Å; E107-F112 VanDerWaalsContact O-CD2 3.32Å; E107-F112 WeakPolarHBondContact O-CD2 3.44Å; L108-F112 VanDerWaalsContact O-CB 3.31Å; L108-F112 WeakPolarHBondContact O-CB 3.48Å; F112-I114 HydrophobicContact CB-CD1 4.02Å; F112-I114 HydrophobicContact CB-CG1 4.02Å; F112-I114 PolarHBondContact O-N 2.94Å; F112-I114 VanDerWaalsContact O-N 3.17Å; F112-C131 HydrophobicContact CD1-CB 4.03Å; F112-C131 HydrophobicContact CE1-CB 4.04Å; F112-L134 HydrophobicContact CB-CD1 3.75Å; F112-L134 HydrophobicContact CD1-CB 4.03Å; F112-L134 HydrophobicContact CD1-CD1 3.87Å; F112-L134 HydrophobicContact CG-CD1 4.33Å; F112-L134 VanDerWaalsContact O-CD1 3.31Å; F112-L134 WeakPolarHBondContact O-CD1 3.36Å; F112-L135 HydrophobicContact CE1-CD2 3.87Å; F112-L135 HydrophobicContact CE1-CG 3.93Å; F112-L135 HydrophobicContact CZ-CD2 4.1Å; F112-L135 HydrophobicContact CZ-CG 4.43Å; F112-F140 HydrophobicContact CD1-CD1 4.06Å; F112-F140 AromaticContact CD1-CE1 3.38Å; F112-F140 HydrophobicContact CD1-CE1 3.38Å; F112-F140 HydrophobicContact CD1-CZ 4.11Å; F112-F140 AromaticContact CE1-CD1 3.69Å; F112-F140 HydrophobicContact CE1-CD1 3.69Å; F112-F140 AromaticContact CE1-CE1 3.49Å; F112-F140 HydrophobicContact CE1-CE1 3.49Å; F112-F140 VanDerWaalsContact CE1-CE1 3.49Å; F112-F140 HydrophobicContact CG-CE1 4.14Å; F112-F140 HydrophobicContact CZ-CD1 4.43Å; F112-F140 HydrophobicContact CZ-CE1 4.34Å; F112-L417 HydrophobicContact CE2-CD1 4.27Å; F112-L417 HydrophobicContact CE2-CD2 4.04Å; F112-L417 HydrophobicContact CZ-CD2 4.37Å
113G93.2Very high95.6Very high51 Ų5135 Ų3553%0.52623%0.229SC..  trans69.17.3-177.900000114.9L108 R109 T115L108-G113 PolarHBondContact O-N 2.75Å; R109-G113 WeakPolarHBondContact O-CA 3.42Å; R109-G113 PolarHBondContact O-N 2.87Å; R109-G113 VanDerWaalsContact O-N 3.12Å; G113-T115 PolarHBondContact O-N 3.08Å
114I94.7Very high95.8Very high7 Ų735 Ų354%0.03623%0.23CC..  trans-74.3112-175.5-65174.4000109.4L108 R109 F112 K117 E130 C131L108-I114 HydrophobicContact CB-CB 4.21Å; L108-I114 HydrophobicContact CB-CG2 4.46Å; L108-I114 HydrophobicContact CD2-CD1 4.21Å; L108-I114 PolarHBondContact O-N 2.84Å; L108-I114 VanDerWaalsContact O-N 3.13Å; R109-I114 VanDerWaalsContact CA-O 3.31Å; R109-I114 WeakPolarHBondContact CA-O 3.37Å; F112-I114 HydrophobicContact CB-CD1 4.02Å; F112-I114 HydrophobicContact CB-CG1 4.02Å; F112-I114 PolarHBondContact O-N 2.94Å; F112-I114 VanDerWaalsContact O-N 3.17Å; I114-K117 HydrophobicContact CG2-CB 4.03Å; I114-K117 HydrophobicContact CG2-CD 4.05Å; I114-K117 HydrophobicContact CG2-CG 4.43Å; I114-E130 HydrophobicContact CD1-CB 4.48Å; I114-E130 HydrophobicContact CD1-CG 4.22Å; I114-E130 HydrophobicContact CG1-CG 4.44Å; I114-C131 WeakPolarHBondContact CD1-SG 3.41Å
115T92.8Very high95.8Very high93 Ų9339.4 Ų39.457%0.57125%0.254SS*.  trans-121.3154.7179.3540000110.9R109 G113 K117R109-T115 HydrophobicContact CG-CG2 3.82Å; G113-T115 PolarHBondContact O-N 3.08Å; T115-K117 PolarHBondContact O-N 3.08Å; T115-K117 VanDerWaalsContact O-N 3.07Å
116G89.1Confident95.8Very high91 Ų9143.8 Ų43.894%0.93827%0.274SS*.SBendtrans70.8-0.5176.800000116
117K94.3Very high95.9Very high55 Ų5543.8 Ų43.824%0.23927%0.274CS..  trans-109.8134.6176.2-63.2177.5-173.9164.60110.4I114 T115 E126 E130I114-K117 HydrophobicContact CG2-CB 4.03Å; I114-K117 HydrophobicContact CG2-CD 4.05Å; I114-K117 HydrophobicContact CG2-CG 4.43Å; T115-K117 PolarHBondContact O-N 3.08Å; T115-K117 VanDerWaalsContact O-N 3.07Å; K117-E126 VanDerWaalsContact CE-CD 3.42Å; K117-E126 WeakPolarHBondContact CE-OE1 3.38Å; K117-E126 IonicContact NZ-OE1 3.3Å; K117-E126 PolarHBondContact NZ-OE1 2.99Å; K117-E126 IonicContact NZ-OE2 3.22Å; K117-E130 IonicContact NZ-OE2 3.12Å; K117-E130 PolarHBondContact NZ-OE2 2.92Å
118L97.2Very high96.1Very high77 Ų7745.1 Ų45.140%0.40328%0.279SS..  trans-102.2135.7172.1-59.2177.5000109.4F4 H105 S120 T123F4-L118 HydrophobicContact CD1-CD2 3.62Å; F4-L118 HydrophobicContact CE1-CD2 3.76Å; H105-L118 VanDerWaalsContact NE2-CA 3.32Å; H105-L118 WeakPolarHBondContact NE2-CA 3.45Å; L118-S120 PolarHBondContact O-N 2.92Å; L118-T123 WeakPolarHBondContact O-CB 3.46Å; L118-T123 WeakPolarHBondContact O-CG2 3.36Å; L118-T123 PolarHBondContact O-OG1 2.65Å
119L98.5Very high96.1Very high1 Ų149 Ų491%0.00530%0.3CS..  trans-72.3123.3177.3-179.559.6000110.5W54 F85 A89 V92 T104 H105 L108 I127W54-L119 HydrophobicContact CH2-CD2 3.62Å; W54-L119 HydrophobicContact CZ3-CD2 3.74Å; F85-L119 HydrophobicContact CE2-CD1 4.45Å; F85-L119 HydrophobicContact CE2-CD2 4.46Å; F85-L119 HydrophobicContact CZ-CD1 3.92Å; A89-L119 HydrophobicContact CB-CD1 3.74Å; A89-L119 HydrophobicContact CB-CG 4.13Å; V92-L119 HydrophobicContact CB-CG 4.43Å; V92-L119 HydrophobicContact CG1-CB 4.2Å; V92-L119 WeakPolarHBondContact CG1-O 3.49Å; V92-L119 HydrophobicContact CG2-CD2 3.92Å; V92-L119 HydrophobicContact CG2-CG 4.31Å; T104-L119 HydrophobicContact CG2-CB 4.18Å; T104-L119 HydrophobicContact CG2-CD2 3.88Å; H105-L119 PolarHBondContact NE2-N 2.95Å; L108-L119 HydrophobicContact CD1-CB 4.22Å; L119-I127 HydrophobicContact CB-CD1 4.07Å; L119-I127 HydrophobicContact CD1-CB 4.48Å; L119-I127 HydrophobicContact CD1-CD1 3.72Å; L119-I127 HydrophobicContact CD1-CG2 4.38Å
120S98.3Very high96.2Very high18 Ų1851.2 Ų51.213%0.12631%0.311CS..SBendtrans-159169.4-177.5670000109.1A89 L118 S122 T123 A124A89-S120 WeakPolarHBondContact O-CA 3.31Å; L118-S120 PolarHBondContact O-N 2.92Å; S120-S122 PolarHBondContact O-N 2.94Å; S120-S122 VanDerWaalsContact O-N 3.16Å; S120-S122 PolarHBondContact OG-N 3.34Å; S120-S122 PolarHBondContact OG-OG 2.75Å; S120-T123 PolarHBondContact N-OG1 3.49Å; S120-T123 PolarHBondContact O-N 2.9Å; S120-T123 VanDerWaalsContact O-N 3.09Å; S120-T123 PolarHBondContact O-OG1 3.22Å; S120-T123 PolarHBondContact OG-N 2.97Å; S120-T123 PolarHBondContact OG-OG1 3.2Å; S120-A124 WeakPolarHBondContact O-CB 3.3Å; S120-A124 PolarHBondContact O-N 2.81Å
121P98.6Very high96.5Very high83 Ų8347.9 Ų47.954%0.53930%0.298SS..THydrogen-bonded Turntrans-53.8-34.3171.6-28.337.3000113.8A89 A90 T123A89-P121 WeakPolarHBondContact O-CD 3.31Å; A90-P121 HydrophobicContact CB-CG 4.08Å; P121-T123 VanDerWaalsContact C-N 3.33Å; P121-T123 PolarHBondContact O-N 3.5Å
122S98.3Very high96.9Very high113 Ų11349.2 Ų49.279%0.7931%0.305SS*.THydrogen-bonded Turntrans-73.9-19.2-179.542.30000115S120S120-S122 PolarHBondContact O-N 2.94Å; S120-S122 VanDerWaalsContact O-N 3.16Å; S120-S122 PolarHBondContact OG-N 3.34Å; S120-S122 PolarHBondContact OG-OG 2.75Å
123T98.5Very high96.9Very high26 Ų2655.5 Ų55.516%0.1634%0.335CS..THydrogen-bonded Turntrans-113.8-3.3-179.250.70000112.3L118 S120 P121 D125 E126 I127L118-T123 WeakPolarHBondContact O-CB 3.46Å; L118-T123 WeakPolarHBondContact O-CG2 3.36Å; L118-T123 PolarHBondContact O-OG1 2.65Å; S120-T123 PolarHBondContact N-OG1 3.49Å; S120-T123 PolarHBondContact O-N 2.9Å; S120-T123 VanDerWaalsContact O-N 3.09Å; S120-T123 PolarHBondContact O-OG1 3.22Å; S120-T123 PolarHBondContact OG-N 2.97Å; S120-T123 PolarHBondContact OG-OG1 3.2Å; P121-T123 VanDerWaalsContact C-N 3.33Å; P121-T123 PolarHBondContact O-N 3.5Å; T123-D125 PolarHBondContact O-N 3.08Å; T123-E126 PolarHBondContact O-N 3.16Å; T123-I127 WeakPolarHBondContact O-CB 3.4Å; T123-I127 WeakPolarHBondContact O-CG1 3.25Å; T123-I127 PolarHBondContact O-N 2.81Å
124A98.5Very high97.1Very high3 Ų354.8 Ų54.83%0.02532%0.319CS..Hα-helixtrans-58.1-47.3-175.200000112.4F85 A89 S120 E126 W128F85-A124 HydrophobicContact CE1-CB 3.97Å; F85-A124 WeakPolarHBondContact CE1-O 3.33Å; A89-A124 HydrophobicContact CB-CB 3.75Å; S120-A124 WeakPolarHBondContact O-CB 3.3Å; S120-A124 PolarHBondContact O-N 2.81Å; A124-E126 PolarHBondContact O-N 3.19Å; A124-W128 WeakPolarHBondContact O-CB 3.35Å; A124-W128 PolarHBondContact O-N 3.08Å
125D98.5Very high97.2Very high93 Ų9355 Ų5550%0.49732%0.32SS..Hα-helixtrans-60.7-46179.3-79.1-37.2000112.3R82 T123 N129R82-D125 IonicContact CZ-OD1 3.39Å; R82-D125 IonicContact NH1-OD1 3.63Å; R82-D125 PolarHBondContact NH1-OD1 3.19Å; R82-D125 IonicContact NH2-OD1 2.75Å; R82-D125 PolarHBondContact NH2-OD1 2.85Å; T123-D125 PolarHBondContact O-N 3.08Å; D125-N129 WeakPolarHBondContact O-CB 3.19Å; D125-N129 PolarHBondContact O-N 3.02Å; D125-N129 PolarHBondContact O-ND2 3.35Å; D125-N129 VanDerWaalsContact O-ND2 3.1Å
126E98.1Very high97.3Very high99 Ų9954 Ų5446%0.46332%0.322SS..Hα-helixtrans-65-50.7-178.9-173.5-179.5-169.800111K117 T123 A124 W128 N129 E130K117-E126 VanDerWaalsContact CE-CD 3.42Å; K117-E126 WeakPolarHBondContact CE-OE1 3.38Å; K117-E126 IonicContact NZ-OE1 3.3Å; K117-E126 PolarHBondContact NZ-OE1 2.99Å; K117-E126 IonicContact NZ-OE2 3.22Å; T123-E126 PolarHBondContact O-N 3.16Å; A124-E126 PolarHBondContact O-N 3.19Å; E126-W128 VanDerWaalsContact C-N 3.34Å; E126-W128 PolarHBondContact O-N 2.98Å; E126-N129 PolarHBondContact O-N 2.95Å; E126-E130 WeakPolarHBondContact O-CB 3.23Å; E126-E130 PolarHBondContact O-N 2.71Å
127I98.5Very high97.6Very high0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-62-42.7178.9-70.3168.9000110.8L50 F85 L108 L119 T123 N129 C131L50-I127 HydrophobicContact CD2-CG2 4.08Å; F85-I127 HydrophobicContact CZ-CG2 4.32Å; L108-I127 HydrophobicContact CD1-CD1 4.1Å; L108-I127 HydrophobicContact CD1-CG2 4.46Å; L108-I127 HydrophobicContact CD2-CG2 3.61Å; L119-I127 HydrophobicContact CB-CD1 4.07Å; L119-I127 HydrophobicContact CD1-CB 4.48Å; L119-I127 HydrophobicContact CD1-CD1 3.72Å; L119-I127 HydrophobicContact CD1-CG2 4.38Å; T123-I127 WeakPolarHBondContact O-CB 3.4Å; T123-I127 WeakPolarHBondContact O-CG1 3.25Å; T123-I127 PolarHBondContact O-N 2.81Å; I127-N129 PolarHBondContact O-N 3.34Å; I127-C131 WeakPolarHBondContact O-CB 3.08Å; I127-C131 PolarHBondContact O-N 3.41Å; I127-C131 PolarHBondContact O-SG 3.26Å; I127-C131 VanDerWaalsContact O-SG 3.37Å
128W98.6Very high97.3Very high29 Ų2956.7 Ų56.711%0.1131%0.314CS..Hα-helixtrans-58.2-49.3177177.7-93.9000111.4N49 L50 D81 R82 F85 A124 E126 N132N49-W128 HydrophobicContact CB-CH2 4.01Å; N49-W128 HydrophobicContact CB-CZ2 4.17Å; L50-W128 HydrophobicContact CB-CE3 3.99Å; L50-W128 HydrophobicContact CB-CZ3 4.05Å; L50-W128 HydrophobicContact CD2-CE3 4.46Å; D81-W128 HydrophobicContact CB-CH2 4.33Å; R82-W128 HydrophobicContact CB-CH2 4.39Å; R82-W128 HydrophobicContact CB-CZ2 4.15Å; F85-W128 HydrophobicContact CB-CE3 3.75Å; F85-W128 HydrophobicContact CB-CH2 4.41Å; F85-W128 HydrophobicContact CB-CZ3 3.44Å; F85-W128 VanDerWaalsContact CB-CZ3 3.44Å; F85-W128 HydrophobicContact CD1-CB 4.31Å; F85-W128 HydrophobicContact CD1-CD2 4.11Å; F85-W128 AromaticContact CD1-CE3 3.36Å; F85-W128 HydrophobicContact CD1-CE3 3.36Å; F85-W128 HydrophobicContact CD1-CZ3 4.02Å; F85-W128 AromaticContact CD2-CE3 3.87Å; F85-W128 HydrophobicContact CD2-CE3 3.87Å; F85-W128 HydrophobicContact CD2-CZ3 4.11Å; F85-W128 HydrophobicContact CE1-CB 3.79Å; F85-W128 HydrophobicContact CE1-CD2 4.43Å; F85-W128 AromaticContact CE1-CE3 3.88Å; F85-W128 HydrophobicContact CE1-CE3 3.88Å; F85-W128 HydrophobicContact CE1-CG 4.46Å; F85-W128 HydrophobicContact CE2-CE3 4.34Å; F85-W128 HydrophobicContact CG-CD2 4.47Å; F85-W128 AromaticContact CG-CE3 3.35Å; F85-W128 HydrophobicContact CG-CE3 3.35Å; F85-W128 AromaticContact CG-CZ3 3.58Å; F85-W128 HydrophobicContact CG-CZ3 3.58Å; F85-W128 HydrophobicContact CZ-CB 4.31Å; F85-W128 HydrophobicContact CZ-CE3 4.33Å; A124-W128 WeakPolarHBondContact O-CB 3.35Å; A124-W128 PolarHBondContact O-N 3.08Å; E126-W128 VanDerWaalsContact C-N 3.34Å; E126-W128 PolarHBondContact O-N 2.98Å; W128-N132 VanDerWaalsContact CD1-ND2 3.34Å; W128-N132 PolarHBondContact NE1-ND2 2.86Å; W128-N132 VanDerWaalsContact O-CB 3.23Å; W128-N132 WeakPolarHBondContact O-CB 3.3Å; W128-N132 PolarHBondContact O-N 2.77Å; W128-N132 PolarHBondContact O-ND2 2.75Å
129N98.4Very high97Very high83 Ų8356 Ų5644%0.44431%0.31SS..Hα-helixtrans-67.4-49.4-177.9-66.6-25.2000111.5D125 E126 I127 N132 E133D125-N129 WeakPolarHBondContact O-CB 3.19Å; D125-N129 PolarHBondContact O-N 3.02Å; D125-N129 PolarHBondContact O-ND2 3.35Å; D125-N129 VanDerWaalsContact O-ND2 3.1Å; E126-N129 PolarHBondContact O-N 2.95Å; I127-N129 PolarHBondContact O-N 3.34Å; N129-N132 PolarHBondContact O-N 3.25Å; N129-E133 WeakPolarHBondContact O-CG 3.49Å; N129-E133 PolarHBondContact O-N 3.25Å
130E98Very high96.9Very high64 Ų6456.2 Ų56.230%0.29931%0.311SS..Hα-helixtrans-61.9-46.9-178.3-173173.9-17900111.8I114 K117 E126 N132 E133 L134I114-E130 HydrophobicContact CD1-CB 4.48Å; I114-E130 HydrophobicContact CD1-CG 4.22Å; I114-E130 HydrophobicContact CG1-CG 4.44Å; K117-E130 IonicContact NZ-OE2 3.12Å; K117-E130 PolarHBondContact NZ-OE2 2.92Å; E126-E130 WeakPolarHBondContact O-CB 3.23Å; E126-E130 PolarHBondContact O-N 2.71Å; E130-N132 PolarHBondContact O-N 2.84Å; E130-E133 PolarHBondContact O-N 3.45Å; E130-L134 WeakPolarHBondContact O-CG 3.42Å; E130-L134 PolarHBondContact O-N 3.38Å; E130-L134 VanDerWaalsContact O-N 3.11Å
131C98.1Very high96.8Very high0 Ų055.4 Ų55.40%031%0.306CS..Hα-helixtrans-63.5-40.9175.6-73.20000112.1L50 F112 I114 I127 E133 L134 L135L50-C131 HydrophobicContact CB-CB 4.41Å; L50-C131 HydrophobicContact CD1-CB 3.89Å; L50-C131 HydrophobicContact CD2-CB 3.87Å; L50-C131 HydrophobicContact CG-CB 4.27Å; F112-C131 HydrophobicContact CD1-CB 4.03Å; F112-C131 HydrophobicContact CE1-CB 4.04Å; I114-C131 WeakPolarHBondContact CD1-SG 3.41Å; I127-C131 WeakPolarHBondContact O-CB 3.08Å; I127-C131 PolarHBondContact O-N 3.41Å; I127-C131 PolarHBondContact O-SG 3.26Å; I127-C131 VanDerWaalsContact O-SG 3.37Å; C131-E133 VanDerWaalsContact C-N 3.35Å; C131-L134 PolarHBondContact O-N 3.22Å; C131-L135 WeakPolarHBondContact O-CB 3.21Å; C131-L135 VanDerWaalsContact O-CG 3.26Å; C131-L135 WeakPolarHBondContact O-CG 3.49Å; C131-L135 PolarHBondContact O-N 3.48Å
132N98.2Very high96.8Very high36 Ų3651.5 Ų51.519%0.19328%0.28CS..Hα-helixtrans-68.5-33.6180-72.9-27.9000112.6N49 L50 W128 N129 E130 L134 L135 A136N49-N132 WeakPolarHBondContact CA-OD1 3.48Å; N49-N132 WeakPolarHBondContact CB-OD1 3.45Å; L50-N132 PolarHBondContact N-OD1 3.01Å; W128-N132 VanDerWaalsContact CD1-ND2 3.34Å; W128-N132 PolarHBondContact NE1-ND2 2.86Å; W128-N132 VanDerWaalsContact O-CB 3.23Å; W128-N132 WeakPolarHBondContact O-CB 3.3Å; W128-N132 PolarHBondContact O-N 2.77Å; W128-N132 PolarHBondContact O-ND2 2.75Å; N129-N132 PolarHBondContact O-N 3.25Å; E130-N132 PolarHBondContact O-N 2.84Å; N132-L134 VanDerWaalsContact C-N 3.34Å; N132-L135 PolarHBondContact O-N 2.9Å; N132-A136 PolarHBondContact O-N 2.83Å
133E97.6Very high96.7Very high144 Ų14447.3 Ų47.367%0.67325%0.247SC*.Hα-helixtrans-63.7-40171.5-75.3177-171.500111.6N129 E130 C131N129-E133 WeakPolarHBondContact O-CG 3.49Å; N129-E133 PolarHBondContact O-N 3.25Å; E130-E133 PolarHBondContact O-N 3.45Å; C131-E133 VanDerWaalsContact C-N 3.35Å
134L97.2Very high96.6Very high35 Ų3546.2 Ų46.218%0.18324%0.241CC..Hα-helixtrans-68.3-43.1174.2-70.1170.2000112.2F112 E130 C131 N132 A136 Q137 F140F112-L134 HydrophobicContact CB-CD1 3.75Å; F112-L134 HydrophobicContact CD1-CB 4.03Å; F112-L134 HydrophobicContact CD1-CD1 3.87Å; F112-L134 HydrophobicContact CG-CD1 4.33Å; F112-L134 VanDerWaalsContact O-CD1 3.31Å; F112-L134 WeakPolarHBondContact O-CD1 3.36Å; E130-L134 WeakPolarHBondContact O-CG 3.42Å; E130-L134 PolarHBondContact O-N 3.38Å; E130-L134 VanDerWaalsContact O-N 3.11Å; C131-L134 PolarHBondContact O-N 3.22Å; N132-L134 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.81Å; L134-A136 VanDerWaalsContact O-N 3.12Å; L134-Q137 VanDerWaalsContact O-CB 3.26Å; L134-Q137 WeakPolarHBondContact O-CB 3.46Å; L134-Q137 WeakPolarHBondContact O-CG 3.41Å; L134-Q137 PolarHBondContact O-N 3.37Å; L134-F140 HydrophobicContact CB-CD2 4.34Å; L134-F140 HydrophobicContact CB-CE1 4.12Å; L134-F140 HydrophobicContact CB-CE2 3.85Å; L134-F140 HydrophobicContact CB-CZ 3.74Å; L134-F140 HydrophobicContact CD1-CZ 4.31Å; L134-F140 HydrophobicContact CD2-CE2 4.17Å; L134-F140 HydrophobicContact CD2-CZ 4.27Å; L134-F140 HydrophobicContact CG-CZ 4.34Å; L134-F140 WeakPolarHBondContact O-CD2 3.39Å; L134-F140 WeakPolarHBondContact O-CG 3.36Å
135L96.9Very high96.4Very high11 Ų1146.1 Ų46.16%0.05824%0.24CC..Hα-helixtrans-60.2-22.1177.7-73.3173.5000113.6F47 L50 I53 F112 C131 N132 Q137 F140F47-L135 HydrophobicContact CB-CD2 4.43Å; L50-L135 HydrophobicContact CB-CD1 4.43Å; I53-L135 HydrophobicContact CD1-CD2 3.98Å; I53-L135 HydrophobicContact CG2-CD1 4.07Å; I53-L135 HydrophobicContact CG2-CD2 4.14Å; F112-L135 HydrophobicContact CE1-CD2 3.87Å; F112-L135 HydrophobicContact CE1-CG 3.93Å; F112-L135 HydrophobicContact CZ-CD2 4.1Å; F112-L135 HydrophobicContact CZ-CG 4.43Å; C131-L135 WeakPolarHBondContact O-CB 3.21Å; C131-L135 VanDerWaalsContact O-CG 3.26Å; C131-L135 WeakPolarHBondContact O-CG 3.49Å; C131-L135 PolarHBondContact O-N 3.48Å; N132-L135 PolarHBondContact O-N 2.9Å; L135-Q137 PolarHBondContact O-N 2.83Å; L135-F140 HydrophobicContact CD2-CB 4.08Å; L135-F140 HydrophobicContact CD2-CD1 4.06Å; L135-F140 HydrophobicContact CD2-CG 4.46Å
136A94.4Very high96.3Very high74 Ų7441.7 Ų41.761%0.61222%0.217SC*.THydrogen-bonded Turntrans-72.1-14.3174.600000113.3N132 L134N132-A136 PolarHBondContact O-N 2.83Å; L134-A136 PolarHBondContact O-N 2.81Å; L134-A136 VanDerWaalsContact O-N 3.12Å
137Q94.5Very high96.1Very high92 Ų9242 Ų4243%0.4322%0.218SC..SBendtrans-84149.9-179.1-54.8177.314.200111.7L134 L135 N139 F140L134-Q137 VanDerWaalsContact O-CB 3.26Å; L134-Q137 WeakPolarHBondContact O-CB 3.46Å; L134-Q137 WeakPolarHBondContact O-CG 3.41Å; L134-Q137 PolarHBondContact O-N 3.37Å; L135-Q137 PolarHBondContact O-N 2.83Å; Q137-N139 VanDerWaalsContact C-N 3.26Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.42Å; Q137-N139 PolarHBondContact O-N 3.38Å; Q137-N139 PolarHBondContact OE1-OD1 3.41Å; Q137-F140 HydrophobicContact CB-CD2 4.22Å; Q137-F140 PolarHBondContact O-N 3.02Å
138D87.9Confident95.7Very high109 Ų10945.8 Ų45.858%0.58324%0.236SC*.G310 helixtrans-62.5-31-174.2-66.9-18.3000113.3R46 F140 S141R46-D138 IonicContact CZ-OD1 3.04Å; R46-D138 IonicContact NH1-OD1 2.94Å; R46-D138 PolarHBondContact NH1-OD1 3.23Å; R46-D138 IonicContact NH2-OD1 2.85Å; R46-D138 PolarHBondContact NH2-OD1 3.32Å; D138-F140 PolarHBondContact O-N 3.22Å; D138-S141 PolarHBondContact O-N 2.83Å; D138-S141 PolarHBondContact O-OG 3.48Å
139N91.5Very high95.3Very high62 Ų6245.8 Ų45.833%0.33224%0.238SC..G310 helixtrans-70.3-10.1177.560.8-43.8000113.6Q137 G144 I145 Q148Q137-N139 VanDerWaalsContact C-N 3.26Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.42Å; Q137-N139 PolarHBondContact O-N 3.38Å; Q137-N139 PolarHBondContact OE1-OD1 3.41Å; N139-G144 CarbonylContact O-C 3.57Å; N139-G144 WeakPolarHBondContact O-CA 3.5Å; N139-I145 PolarHBondContact O-N 3.4Å; N139-Q148 PolarHBondContact ND2-NE2 3.26Å; N139-Q148 PolarHBondContact O-NE2 3.4Å
140F96.5Very high95Very high6 Ų644.6 Ų44.63%0.02623%0.231CC..G310 helixtrans-99.311.6177.9-76-97.9000113.9F47 P111 F112 L134 L135 Q137 D138 I145F47-F140 WeakPolarHBondContact CD2-O 3.32Å; P111-F140 HydrophobicContact CB-CE1 4.24Å; P111-F140 VanDerWaalsContact O-CE1 3.24Å; P111-F140 WeakPolarHBondContact O-CE1 3.48Å; P111-F140 WeakPolarHBondContact O-CZ 3.42Å; F112-F140 HydrophobicContact CD1-CD1 4.06Å; F112-F140 AromaticContact CD1-CE1 3.38Å; F112-F140 HydrophobicContact CD1-CE1 3.38Å; F112-F140 HydrophobicContact CD1-CZ 4.11Å; F112-F140 AromaticContact CE1-CD1 3.69Å; F112-F140 HydrophobicContact CE1-CD1 3.69Å; F112-F140 AromaticContact CE1-CE1 3.49Å; F112-F140 HydrophobicContact CE1-CE1 3.49Å; F112-F140 VanDerWaalsContact CE1-CE1 3.49Å; F112-F140 HydrophobicContact CG-CE1 4.14Å; F112-F140 HydrophobicContact CZ-CD1 4.43Å; F112-F140 HydrophobicContact CZ-CE1 4.34Å; L134-F140 HydrophobicContact CB-CD2 4.34Å; L134-F140 HydrophobicContact CB-CE1 4.12Å; L134-F140 HydrophobicContact CB-CE2 3.85Å; L134-F140 HydrophobicContact CB-CZ 3.74Å; L134-F140 HydrophobicContact CD1-CZ 4.31Å; L134-F140 HydrophobicContact CD2-CE2 4.17Å; L134-F140 HydrophobicContact CD2-CZ 4.27Å; L134-F140 HydrophobicContact CG-CZ 4.34Å; L134-F140 WeakPolarHBondContact O-CD2 3.39Å; L134-F140 WeakPolarHBondContact O-CG 3.36Å; L135-F140 HydrophobicContact CD2-CB 4.08Å; L135-F140 HydrophobicContact CD2-CD1 4.06Å; L135-F140 HydrophobicContact CD2-CG 4.46Å; Q137-F140 HydrophobicContact CB-CD2 4.22Å; Q137-F140 PolarHBondContact O-N 3.02Å; D138-F140 PolarHBondContact O-N 3.22Å; F140-I145 HydrophobicContact CB-CD1 4.4Å; F140-I145 HydrophobicContact CD1-CD1 3.61Å; F140-I145 HydrophobicContact CE1-CD1 4.18Å; F140-I145 HydrophobicContact CG-CD1 4.21Å
141S97Very high94.8Very high2 Ų241.7 Ų41.71%0.01422%0.218CC..SBendtrans-66.4170.3165.768.10000111.9D44 Y45 D138 R143 G144 I145D44-S141 WeakPolarHBondContact OD1-CB 3.43Å; D44-S141 PolarHBondContact OD1-OG 3.48Å; D44-S141 PolarHBondContact OD2-OG 2.88Å; Y45-S141 CarbonylContact O-C 3.58Å; Y45-S141 WeakPolarHBondContact O-CA 3.49Å; D138-S141 PolarHBondContact O-N 2.83Å; D138-S141 PolarHBondContact O-OG 3.48Å; S141-R143 VanDerWaalsContact C-N 3.31Å; S141-R143 PolarHBondContact O-N 2.99Å; S141-G144 PolarHBondContact O-N 3.38Å; S141-G144 VanDerWaalsContact O-N 3.14Å; S141-G144 PolarHBondContact OG-N 2.83Å; S141-G144 VanDerWaalsContact OG-N 3.11Å; S141-I145 WeakPolarHBondContact O-CG1 3.37Å; S141-I145 PolarHBondContact O-N 3.04Å
142A96.8Very high94.4Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-50.9-48.8176.300000112.3Q40 Y45 F47 M146 F416Q40-A142 WeakPolarHBondContact O-CB 3.38Å; Y45-A142 PolarHBondContact O-N 3.16Å; F47-A142 HydrophobicContact CE2-CB 4.42Å; F47-A142 HydrophobicContact CZ-CB 4.32Å; A142-M146 VanDerWaalsContact O-CG 3.28Å; A142-M146 WeakPolarHBondContact O-CG 3.09Å; A142-M146 PolarHBondContact O-N 3.41Å; A142-F416 HydrophobicContact CB-CD1 4.35Å; A142-F416 HydrophobicContact CB-CE1 3.75Å; A142-F416 HydrophobicContact CB-CE2 4.43Å; A142-F416 HydrophobicContact CB-CZ 3.79Å
143R97Very high94.2Very high25 Ų2545.4 Ų45.49%0.09423%0.233CC..Hα-helixtrans-72.5-38177.2-62.9-179.5-178.1-167.53.6111.9I41 A42 D44 S141 I145 M146 Q147 D173 F176I41-R143 HydrophobicContact CG2-CG 4.2Å; I41-R143 PolarHBondContact O-NE 2.82Å; I41-R143 PolarHBondContact O-NH2 3.22Å; A42-R143 PolarHBondContact O-NH2 3.22Å; D44-R143 HydrophobicContact CB-CG 4.1Å; D44-R143 WeakPolarHBondContact OD1-CB 3.45Å; D44-R143 VanDerWaalsContact OD1-CG 3.23Å; D44-R143 WeakPolarHBondContact OD1-CG 3.28Å; D44-R143 PolarHBondContact OD1-N 3.47Å; S141-R143 VanDerWaalsContact C-N 3.31Å; S141-R143 PolarHBondContact O-N 2.99Å; R143-I145 PolarHBondContact O-N 3.24Å; R143-M146 WeakPolarHBondContact O-CB 3.4Å; R143-M146 PolarHBondContact O-N 3.3Å; R143-Q147 WeakPolarHBondContact O-CG 3.38Å; R143-Q147 PolarHBondContact O-N 3.05Å; R143-D173 IonicContact CZ-OD2 2.68Å; R143-D173 IonicContact NH1-OD2 2.87Å; R143-D173 PolarHBondContact NH1-OD2 3.39Å; R143-D173 IonicContact NH2-OD2 3.29Å; R143-F176 HydrophobicContact CB-CD2 3.91Å; R143-F176 HydrophobicContact CB-CE2 3.47Å; R143-F176 VanDerWaalsContact CB-CE2 3.47Å; R143-F176 HydrophobicContact CB-CZ 4.09Å; R143-F176 HydrophobicContact CG-CD2 3.92Å; R143-F176 HydrophobicContact CG-CE1 4.4Å; R143-F176 HydrophobicContact CG-CE2 3.61Å; R143-F176 HydrophobicContact CG-CG 4.45Å; R143-F176 HydrophobicContact CG-CZ 3.84Å
144G95.8Very high94.2Very high3 Ų338.6 Ų38.63%0.03120%0.201CC..Hα-helixtrans-58.6-46.1178.600000112.2N139 S141 M146 Q147 Q148N139-G144 CarbonylContact O-C 3.57Å; N139-G144 WeakPolarHBondContact O-CA 3.5Å; S141-G144 PolarHBondContact O-N 3.38Å; S141-G144 VanDerWaalsContact O-N 3.14Å; S141-G144 PolarHBondContact OG-N 2.83Å; S141-G144 VanDerWaalsContact OG-N 3.11Å; G144-M146 PolarHBondContact O-N 2.94Å; G144-Q147 PolarHBondContact O-N 3.21Å; G144-Q148 WeakPolarHBondContact O-CG 3.24Å; G144-Q148 PolarHBondContact O-N 2.81Å
145I95.6Very high94.2Very high1 Ų136.9 Ų36.91%0.00519%0.192CC..Hα-helixtrans-61.8-43.5176.1-66.4-66.5000111.3I53 P111 N139 F140 S141 R143 Q147 Q148 M149 F416I53-I145 HydrophobicContact CD1-CG1 4.29Å; P111-I145 HydrophobicContact CB-CD1 3.97Å; N139-I145 PolarHBondContact O-N 3.4Å; F140-I145 HydrophobicContact CB-CD1 4.4Å; F140-I145 HydrophobicContact CD1-CD1 3.61Å; F140-I145 HydrophobicContact CE1-CD1 4.18Å; F140-I145 HydrophobicContact CG-CD1 4.21Å; S141-I145 WeakPolarHBondContact O-CG1 3.37Å; S141-I145 PolarHBondContact O-N 3.04Å; R143-I145 PolarHBondContact O-N 3.24Å; I145-Q147 VanDerWaalsContact C-N 3.29Å; I145-Q147 PolarHBondContact O-N 3.12Å; I145-Q148 PolarHBondContact O-N 2.81Å; I145-M149 HydrophobicContact CG2-CG 4.32Å; I145-M149 WeakPolarHBondContact O-CB 3.44Å; I145-M149 VanDerWaalsContact O-CG 3.28Å; I145-M149 WeakPolarHBondContact O-CG 3.28Å; I145-M149 PolarHBondContact O-N 2.83Å; I145-F416 HydrophobicContact CG2-CB 4.2Å; I145-F416 WeakPolarHBondContact CG2-O 3.42Å
146M95.3Very high94.2Very high0 Ų036.4 Ų36.40%019%0.189CC..Hα-helixtrans-59.7-41.2177.7-65.7172.769.500111.9I41 A142 R143 G144 M149 N150 V151 V154 F176 I178 V180 F416 Y419I41-M146 HydrophobicContact CD1-CE 4.37Å; I41-M146 HydrophobicContact CD1-SD 4.14Å; I41-M146 HydrophobicContact CG1-SD 4.2Å; I41-M146 HydrophobicContact CG2-SD 4.07Å; A142-M146 VanDerWaalsContact O-CG 3.28Å; A142-M146 WeakPolarHBondContact O-CG 3.09Å; A142-M146 PolarHBondContact O-N 3.41Å; R143-M146 WeakPolarHBondContact O-CB 3.4Å; R143-M146 PolarHBondContact O-N 3.3Å; G144-M146 PolarHBondContact O-N 2.94Å; M146-M149 PolarHBondContact O-N 3.39Å; M146-N150 PolarHBondContact O-N 2.79Å; M146-V151 HydrophobicContact CB-CB 4.34Å; M146-V151 HydrophobicContact CB-CG2 4.42Å; M146-V151 HydrophobicContact CE-CG1 4.38Å; M146-V151 WeakPolarHBondContact O-CB 3.47Å; M146-V151 WeakPolarHBondContact O-CG2 3.34Å; M146-V151 PolarHBondContact O-N 3.2Å; M146-V151 VanDerWaalsContact O-N 3.11Å; M146-V154 HydrophobicContact CE-CG1 3.74Å; M146-V154 HydrophobicContact CE-CG2 3.93Å; M146-F176 HydrophobicContact CE-CZ 4.14Å; M146-F176 HydrophobicContact SD-CZ 4.15Å; M146-I178 HydrophobicContact CB-CD1 3.61Å; M146-I178 HydrophobicContact CE-CG2 3.92Å; M146-V180 HydrophobicContact CE-CG2 4.43Å; M146-F416 HydrophobicContact CG-CD1 4.15Å; M146-F416 HydrophobicContact CG-CE1 4.31Å; M146-F416 HydrophobicContact SD-CD1 4.4Å; M146-F416 HydrophobicContact SD-CE1 3.96Å; M146-Y419 HydrophobicContact CG-CE2 3.95Å
147Q93.5Very high94.4Very high105 Ų10534.2 Ų34.249%0.49117%0.168SC..Hα-helixtrans-67-45.4176.6-70.4172.4-24.500111.9R143 G144 I145 M149 N150 F176 I178R143-Q147 WeakPolarHBondContact O-CG 3.38Å; R143-Q147 PolarHBondContact O-N 3.05Å; G144-Q147 PolarHBondContact O-N 3.21Å; I145-Q147 VanDerWaalsContact C-N 3.29Å; I145-Q147 PolarHBondContact O-N 3.12Å; Q147-M149 PolarHBondContact O-N 3.14Å; Q147-N150 PolarHBondContact O-N 3.16Å; Q147-N150 VanDerWaalsContact O-N 3.12Å; Q147-F176 HydrophobicContact CG-CE2 4.41Å; Q147-I178 HydrophobicContact CG-CD1 3.92Å
148Q90.7Very high94.6Very high80 Ų8030.4 Ų30.437%0.37415%0.151SC..Hα-helixtrans-58.2-35.2176.7-73.3-169.379.100112.2N139 G144 I145 N150N139-Q148 PolarHBondContact ND2-NE2 3.26Å; N139-Q148 PolarHBondContact O-NE2 3.4Å; G144-Q148 WeakPolarHBondContact O-CG 3.24Å; G144-Q148 PolarHBondContact O-N 2.81Å; I145-Q148 PolarHBondContact O-N 2.81Å; Q148-N150 VanDerWaalsContact C-N 3.29Å; Q148-N150 PolarHBondContact O-N 3.27Å
149M91.6Very high95.1Very high30 Ų3025.9 Ų25.915%0.14813%0.127CC..THydrogen-bonded Turntrans-86.810-179-62.8-58.1-6500114I29 R110 I145 M146 Q147 V151 Y419 T420I29-M149 WeakPolarHBondContact CD1-O 3.34Å; R110-M149 HydrophobicContact CB-CE 4.17Å; R110-M149 HydrophobicContact CB-SD 4.18Å; I145-M149 HydrophobicContact CG2-CG 4.32Å; I145-M149 WeakPolarHBondContact O-CB 3.44Å; I145-M149 VanDerWaalsContact O-CG 3.28Å; I145-M149 WeakPolarHBondContact O-CG 3.28Å; I145-M149 PolarHBondContact O-N 2.83Å; M146-M149 PolarHBondContact O-N 3.39Å; Q147-M149 PolarHBondContact O-N 3.14Å; M149-V151 VanDerWaalsContact C-N 3.28Å; M149-V151 HydrophobicContact CB-CG2 4.17Å; M149-V151 PolarHBondContact O-N 3.48Å; M149-Y419 HydrophobicContact CB-CD2 3.93Å; M149-Y419 HydrophobicContact CB-CG 4.14Å; M149-Y419 HydrophobicContact CG-CD2 3.97Å; M149-Y419 HydrophobicContact CG-CG 4.41Å; M149-T420 HydrophobicContact CE-CG2 4Å
150N91.6Very high95.4Very high57 Ų5723 Ų2331%0.30511%0.111SC..THydrogen-bonded Turntrans55.638.4-179.7-166.326000113.9D26 I29 M146 Q147 Q148 K152D26-N150 PolarHBondContact O-ND2 3.33Å; I29-N150 PolarHBondContact N-O 2.94Å; M146-N150 PolarHBondContact O-N 2.79Å; Q147-N150 PolarHBondContact O-N 3.16Å; Q147-N150 VanDerWaalsContact O-N 3.12Å; Q148-N150 VanDerWaalsContact C-N 3.29Å; Q148-N150 PolarHBondContact O-N 3.27Å; N150-K152 WeakPolarHBondContact OD1-CE 3.39Å; N150-K152 PolarHBondContact OD1-NZ 2.71Å
151V94.3Very high95.5Very high3 Ų324.4 Ų24.42%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-74.3135.6174.6-175.90000109.8I29 M146 M149 V154 I178 Y419I29-V151 HydrophobicContact CB-CB 4.48Å; I29-V151 HydrophobicContact CB-CG2 4.1Å; I29-V151 HydrophobicContact CD1-CG2 4.49Å; I29-V151 HydrophobicContact CG2-CG1 4.44Å; I29-V151 HydrophobicContact CG2-CG2 4.11Å; M146-V151 HydrophobicContact CB-CB 4.34Å; M146-V151 HydrophobicContact CB-CG2 4.42Å; M146-V151 HydrophobicContact CE-CG1 4.38Å; M146-V151 WeakPolarHBondContact O-CB 3.47Å; M146-V151 WeakPolarHBondContact O-CG2 3.34Å; M146-V151 PolarHBondContact O-N 3.2Å; M146-V151 VanDerWaalsContact O-N 3.11Å; M149-V151 VanDerWaalsContact C-N 3.28Å; M149-V151 HydrophobicContact CB-CG2 4.17Å; M149-V151 PolarHBondContact O-N 3.48Å; V151-V154 HydrophobicContact CG1-CG1 3.55Å; V151-I178 HydrophobicContact CB-CD1 4.24Å; V151-I178 HydrophobicContact CB-CG2 4.37Å; V151-I178 HydrophobicContact CG1-CG2 3.86Å; V151-I178 WeakPolarHBondContact O-CD1 3.35Å; V151-I178 WeakPolarHBondContact O-CG1 3.39Å; V151-Y419 HydrophobicContact CG1-CE1 4.45Å; V151-Y419 HydrophobicContact CG2-CD1 3.82Å; V151-Y419 HydrophobicContact CG2-CD2 4.05Å; V151-Y419 HydrophobicContact CG2-CE1 3.67Å; V151-Y419 HydrophobicContact CG2-CE2 3.91Å; V151-Y419 HydrophobicContact CG2-CG 4.02Å
152K89.5Confident95.6Very high87 Ų8727.3 Ų27.338%0.37813%0.134SC..EExtended strand (participates in β ladder)trans-112.4-30.9177.2-60.2-56.4-179.5-162.10112.7P28 I29 F30 N150 K179P28-K152 HydrophobicContact CB-CB 4.48Å; P28-K152 HydrophobicContact CB-CD 4.43Å; P28-K152 HydrophobicContact CB-CG 3.43Å; P28-K152 VanDerWaalsContact CB-CG 3.43Å; I29-K152 PolarHBondContact O-N 3.37Å; F30-K152 HydrophobicContact CD1-CB 4.34Å; F30-K152 HydrophobicContact CE1-CB 3.84Å; F30-K152 HydrophobicContact CE2-CB 4.44Å; F30-K152 HydrophobicContact CZ-CB 3.89Å; F30-K152 HydrophobicContact CZ-CG 4.29Å; N150-K152 WeakPolarHBondContact OD1-CE 3.39Å; N150-K152 PolarHBondContact OD1-NZ 2.71Å; K152-K179 PolarHBondContact O-N 3.16Å
153M93.3Very high95.7Very high28 Ų2830.5 Ų30.514%0.13816%0.157CC..EExtended strand (participates in β ladder)trans-151.8143.2176.8178.4-89.7-163.700110.3F30 D31 K179 L181F30-M153 HydrophobicContact CD1-CB 3.84Å; F30-M153 HydrophobicContact CE1-CB 4.38Å; D31-M153 PolarHBondContact N-O 3.17Å; M153-K179 CarbonylContact C-O 3.58Å; M153-K179 WeakPolarHBondContact CA-O 3.5Å; M153-K179 HydrophobicContact CB-CB 4.19Å; M153-K179 HydrophobicContact CG-CB 4.07Å; M153-L181 HydrophobicContact CE-CB 4.27Å; M153-L181 HydrophobicContact CE-CD1 3.89Å; M153-L181 HydrophobicContact CE-CG 4.41Å; M153-L181 HydrophobicContact CG-CD1 4.31Å
154V97.1Very high95.7Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-125.6134.8167.1-58.40000110.1D31 M146 V151 K179 V180 L181 Y419D31-V154 HydrophobicContact CB-CG1 4.25Å; D31-V154 CarbonylContact O-C 3.38Å; D31-V154 VanDerWaalsContact O-CA 3.26Å; D31-V154 WeakPolarHBondContact O-CA 3.45Å; M146-V154 HydrophobicContact CE-CG1 3.74Å; M146-V154 HydrophobicContact CE-CG2 3.93Å; V151-V154 HydrophobicContact CG1-CG1 3.55Å; V154-K179 PolarHBondContact N-O 3.24Å; V154-V180 HydrophobicContact CG2-CB 4.06Å; V154-V180 HydrophobicContact CG2-CG1 3.9Å; V154-V180 HydrophobicContact CG2-CG2 3.79Å; V154-L181 PolarHBondContact O-N 3.43Å; V154-Y419 HydrophobicContact CG1-CE1 4.47Å
155G97.2Very high95.9Very high0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-95.7106.2167.200000109.3D31 H33 C34 L181D31-G155 PolarHBondContact O-N 3.35Å; H33-G155 CarbonylContact C-O 3.56Å; H33-G155 WeakPolarHBondContact CA-O 3.17Å; C34-G155 PolarHBondContact N-O 2.67Å; C34-G155 PolarHBondContact SG-O 2.89Å; G155-L181 CarbonylContact C-O 3.59Å; G155-L181 WeakPolarHBondContact CA-O 3.44Å
156T98.1Very high96Very high0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-77.1169172.955.40000110.1C34 P38 D158 H167 V180 L181 S183C34-T156 CarbonylContact O-C 3.49Å; P38-T156 HydrophobicContact CG-CG2 4.08Å; T156-D158 WeakPolarHBondContact CB-OD2 3.45Å; T156-D158 PolarHBondContact OG1-OD2 3.2Å; T156-H167 PolarHBondContact OG1-NE2 3.33Å; T156-V180 HydrophobicContact CG2-CG1 4.02Å; T156-L181 PolarHBondContact N-O 3.37Å; T156-L181 PolarHBondContact OG1-O 3.1Å; T156-S183 WeakPolarHBondContact O-CA 3.29Å; T156-S183 WeakPolarHBondContact O-CB 3.4Å; T156-S183 PolarHBondContact O-N 3.37Å; T156-S183 PolarHBondContact O-OG 3.08Å
157T97.5Very high96.2Very high28 Ų2836.7 Ų36.717%0.17219%0.186CC..EExtended strand (participates in β ladder)trans-111.8110.6-179.4-59.50000109.9H33 C34 R185H33-T157 PolarHBondContact CE1-OG1 3Å; H33-T157 PolarHBondContact ND1-OG1 3.02Å; C34-T157 PolarHBondContact O-N 3.37Å; C34-T157 PolarHBondContact O-OG1 3.34Å; T157-R185 HydrophobicContact CG2-CB 3.84Å; T157-R185 HydrophobicContact CG2-CG 4.12Å
158D98.6Very high96.4Very high12 Ų1232.8 Ų32.86%0.06417%0.172CC..EExtended strand (participates in β ladder)trans-130.1140.3-166.5-55.7-86.7000111.3T156 L164 H167 P182 S183 R185 F229T156-D158 WeakPolarHBondContact CB-OD2 3.45Å; T156-D158 PolarHBondContact OG1-OD2 3.2Å; D158-L164 HydrophobicContact CB-CD2 3.92Å; D158-H167 IonicContact OD1-CE1 3Å; D158-H167 PolarHBondContact OD1-CE1 3.27Å; D158-H167 VanDerWaalsContact OD1-CE1 3.22Å; D158-H167 IonicContact OD1-NE2 3.67Å; D158-H167 IonicContact OD2-CE1 3.09Å; D158-H167 IonicContact OD2-NE2 2.75Å; D158-P182 HydrophobicContact CB-CB 4.21Å; D158-P182 VanDerWaalsContact OD2-CA 3.25Å; D158-P182 WeakPolarHBondContact OD2-CA 3.44Å; D158-P182 WeakPolarHBondContact OD2-CB 3.32Å; D158-S183 PolarHBondContact N-O 3.04Å; D158-R185 PolarHBondContact O-N 3.41Å; D158-F229 HydrophobicContact CB-CE1 3.88Å; D158-F229 HydrophobicContact CB-CZ 3.96Å
159D98.5Very high96.7Very high15 Ų1533.7 Ų33.78%0.0818%0.176CC..  trans-83.3144.8-177.6-169.8-64.3000110.5I161 D162 K188 Y200 F229D159-I161 HydrophobicContact CB-CG1 4.48Å; D159-I161 PolarHBondContact O-N 2.79Å; D159-I161 WeakPolarHBondContact OD1-CG1 3.4Å; D159-I161 PolarHBondContact OD1-N 3.14Å; D159-D162 PolarHBondContact N-OD2 3.47Å; D159-D162 WeakPolarHBondContact O-CB 3.29Å; D159-D162 PolarHBondContact O-N 3.46Å; D159-K188 WeakPolarHBondContact OD2-CD 3.32Å; D159-K188 IonicContact OD2-NZ 2.86Å; D159-K188 PolarHBondContact OD2-NZ 3.03Å; D159-Y200 WeakPolarHBondContact OD1-CE2 3.47Å; D159-Y200 VanDerWaalsContact OD1-CZ 3.29Å; D159-Y200 PolarHBondContact OD1-OH 2.88Å; D159-F229 WeakPolarHBondContact O-CZ 3.4Å
160P98.7Very high97Very high0 Ų032.6 Ų32.60%017%0.17CC..THydrogen-bonded Turntrans-45.6-30.1173.9-32.834000115.6W184 R185 P186 L204 R225P160-W184 HydrophobicContact CB-CH2 3.55Å; P160-W184 HydrophobicContact CB-CZ2 3.94Å; P160-W184 HydrophobicContact CB-CZ3 3.86Å; P160-W184 HydrophobicContact CG-CD2 4.26Å; P160-W184 HydrophobicContact CG-CE3 4.33Å; P160-W184 HydrophobicContact CG-CH2 3.72Å; P160-W184 HydrophobicContact CG-CZ2 3.58Å; P160-W184 HydrophobicContact CG-CZ3 4.08Å; P160-R185 WeakPolarHBondContact CD-O 3.47Å; P160-P186 HydrophobicContact CG-CB 3.84Å; P160-L204 HydrophobicContact CB-CD1 4.38Å; P160-R225 PolarHBondContact O-NE 2.96Å; P160-R225 PolarHBondContact O-NH2 3.04Å; P160-R225 VanDerWaalsContact O-NH2 3.1Å
161I98.6Very high97.1Very high36 Ų3634 Ų3419%0.18519%0.191CC..THydrogen-bonded Turntrans-83.4-8.2-179.873.5178.6000114.9D159 Y200 K203 L204 V207D159-I161 HydrophobicContact CB-CG1 4.48Å; D159-I161 PolarHBondContact O-N 2.79Å; D159-I161 WeakPolarHBondContact OD1-CG1 3.4Å; D159-I161 PolarHBondContact OD1-N 3.14Å; I161-Y200 HydrophobicContact CD1-CD2 4.12Å; I161-Y200 HydrophobicContact CD1-CE2 3.85Å; I161-Y200 HydrophobicContact CG1-CE2 4.18Å; I161-Y200 HydrophobicContact CG2-CD2 4.42Å; I161-Y200 HydrophobicContact CG2-CE2 3.67Å; I161-K203 HydrophobicContact CD1-CB 4.31Å; I161-K203 HydrophobicContact CD1-CD 4.13Å; I161-L204 HydrophobicContact CG2-CB 4.09Å; I161-L204 HydrophobicContact CG2-CD1 4.15Å; I161-V207 HydrophobicContact CB-CG2 4.04Å; I161-V207 HydrophobicContact CG2-CG2 4Å
162D98.5Very high97.1Very high63 Ų6342 Ų4234%0.33723%0.225SC..  trans-69.7145.3-175.6-67.1-22.9000111.7D159 L164 R225D159-D162 PolarHBondContact N-OD2 3.47Å; D159-D162 WeakPolarHBondContact O-CB 3.29Å; D159-D162 PolarHBondContact O-N 3.46Å; D162-L164 VanDerWaalsContact C-N 3.28Å; D162-L164 HydrophobicContact CB-CD2 4.27Å; D162-L164 PolarHBondContact O-N 3.4Å; D162-R225 PolarHBondContact O-NH2 3.46Å
163S98.2Very high97.2Very high68 Ų6840.4 Ų40.448%0.47622%0.22SC..  trans-69.2-28.6-179.663.70000112.5E165 H228S163-E165 PolarHBondContact O-N 3.34Å; S163-E165 WeakPolarHBondContact OG-CG 3.39Å; S163-E165 PolarHBondContact OG-N 3.16Å; S163-H228 PolarHBondContact O-NE2 3.09Å
164L98.6Very high96.9Very high5 Ų542.7 Ų42.73%0.02625%0.252CS..  trans60.824.1-170.6-51.7178.6000113.6D158 D162 H166 H167 A168 P182 F229 H232D158-L164 HydrophobicContact CB-CD2 3.92Å; D162-L164 VanDerWaalsContact C-N 3.28Å; D162-L164 HydrophobicContact CB-CD2 4.27Å; D162-L164 PolarHBondContact O-N 3.4Å; L164-H166 VanDerWaalsContact C-N 3.33Å; L164-H166 PolarHBondContact O-N 3.14Å; L164-H167 HydrophobicContact CB-CB 4.48Å; L164-H167 PolarHBondContact O-N 3.45Å; L164-A168 PolarHBondContact O-N 3.11Å; L164-P182 HydrophobicContact CD1-CB 4.27Å; L164-P182 HydrophobicContact CD1-CG 3.97Å; L164-P182 HydrophobicContact CD2-CB 3.81Å; L164-P182 HydrophobicContact CD2-CG 4.34Å; L164-F229 HydrophobicContact CD1-CD1 4.06Å; L164-F229 HydrophobicContact CD1-CD2 3.67Å; L164-F229 HydrophobicContact CD1-CE1 4.19Å; L164-F229 HydrophobicContact CD1-CE2 3.8Å; L164-F229 HydrophobicContact CD1-CG 3.81Å; L164-F229 HydrophobicContact CD1-CZ 4.06Å; L164-F229 HydrophobicContact CD2-CE1 4.2Å; L164-F229 HydrophobicContact CD2-CE2 4.34Å; L164-F229 HydrophobicContact CD2-CZ 3.94Å; L164-F229 HydrophobicContact CG-CE2 4.26Å; L164-F229 HydrophobicContact CG-CZ 4.35Å; L164-H232 HydrophobicContact CD1-CB 3.84Å
165E98.4Very high96.5Very high109 Ų10947.1 Ų47.151%0.50928%0.282SS..Hα-helixtrans-61.7-39.7-176.669.2-167.7161.300112.7S163 H167 A168 E169S163-E165 PolarHBondContact O-N 3.34Å; S163-E165 WeakPolarHBondContact OG-CG 3.39Å; S163-E165 PolarHBondContact OG-N 3.16Å; E165-H167 PolarHBondContact O-N 3.4Å; E165-A168 CarbonylContact O-C 3.43Å; E165-A168 WeakPolarHBondContact O-CB 3.4Å; E165-A168 PolarHBondContact O-N 2.95Å; E165-A168 VanDerWaalsContact O-N 3.14Å; E165-E169 WeakPolarHBondContact O-CG 3.07Å; E165-E169 PolarHBondContact O-N 3.21Å
166H98.6Very high96.1Very high39 Ų3947.8 Ų47.818%0.18129%0.285CS..Hα-helixtrans-67.3-35.7177.7-62.3-46.3000112.6P38 A42 L164 A168 E169 I170P38-H166 HydrophobicContact CB-CB 3.91Å; A42-H166 HydrophobicContact CB-CB 3.96Å; L164-H166 VanDerWaalsContact C-N 3.33Å; L164-H166 PolarHBondContact O-N 3.14Å; H166-A168 VanDerWaalsContact C-N 3.32Å; H166-E169 IonicContact ND1-OE2 2.63Å; H166-E169 PolarHBondContact ND1-OE2 3.37Å; H166-E169 VanDerWaalsContact ND1-OE2 3.09Å; H166-E169 PolarHBondContact O-N 2.88Å; H166-I170 WeakPolarHBondContact O-CD1 3.44Å; H166-I170 WeakPolarHBondContact O-CG1 3.34Å; H166-I170 PolarHBondContact O-N 3.13Å
167H98.6Very high95.6Very high6 Ų653.4 Ų53.43%0.02832%0.32CS..Hα-helixtrans-63.1-41.9170.7-61.179.5000111.1P38 T156 D158 L164 E165 E169 I170 A171P38-H167 VanDerWaalsContact CG-CE1 3.46Å; P38-H167 WeakPolarHBondContact CG-CE1 3.41Å; T156-H167 PolarHBondContact OG1-NE2 3.33Å; D158-H167 IonicContact OD1-CE1 3Å; D158-H167 PolarHBondContact OD1-CE1 3.27Å; D158-H167 VanDerWaalsContact OD1-CE1 3.22Å; D158-H167 IonicContact OD1-NE2 3.67Å; D158-H167 IonicContact OD2-CE1 3.09Å; D158-H167 IonicContact OD2-NE2 2.75Å; L164-H167 HydrophobicContact CB-CB 4.48Å; L164-H167 PolarHBondContact O-N 3.45Å; E165-H167 PolarHBondContact O-N 3.4Å; H167-E169 VanDerWaalsContact C-N 3.33Å; H167-E169 PolarHBondContact O-N 2.93Å; H167-I170 PolarHBondContact O-N 2.87Å; H167-A171 VanDerWaalsContact O-CB 3.26Å; H167-A171 WeakPolarHBondContact O-CB 3.43Å; H167-A171 PolarHBondContact O-N 3.27Å
168A97.9Very high95.3Very high23 Ų2352.5 Ų52.519%0.1931%0.314CS..Hα-helixtrans-65.4-35.9176.500000112.3L164 E165 H166 K172L164-A168 PolarHBondContact O-N 3.11Å; E165-A168 CarbonylContact O-C 3.43Å; E165-A168 WeakPolarHBondContact O-CB 3.4Å; E165-A168 PolarHBondContact O-N 2.95Å; E165-A168 VanDerWaalsContact O-N 3.14Å; H166-A168 VanDerWaalsContact C-N 3.32Å; A168-K172 VanDerWaalsContact O-CD 3.3Å; A168-K172 WeakPolarHBondContact O-CD 3.38Å; A168-K172 WeakPolarHBondContact O-CG 3.32Å; A168-K172 PolarHBondContact O-N 2.86Å
169E97.9Very high95Very high99 Ų9957.9 Ų57.946%0.46334%0.337SS..Hα-helixtrans-64.5-49.7173.3-73.7173.2162.900111.5A42 E165 H166 H167 A171 K172 D173A42-E169 HydrophobicContact CB-CB 4.41Å; E165-E169 WeakPolarHBondContact O-CG 3.07Å; E165-E169 PolarHBondContact O-N 3.21Å; H166-E169 IonicContact ND1-OE2 2.63Å; H166-E169 PolarHBondContact ND1-OE2 3.37Å; H166-E169 VanDerWaalsContact ND1-OE2 3.09Å; H166-E169 PolarHBondContact O-N 2.88Å; H167-E169 VanDerWaalsContact C-N 3.33Å; H167-E169 PolarHBondContact O-N 2.93Å; E169-A171 PolarHBondContact O-N 3.41Å; E169-K172 PolarHBondContact O-N 2.85Å; E169-D173 PolarHBondContact O-N 3.45Å
170I97.8Very high94.9Very high6 Ų657.6 Ų57.63%0.03134%0.336CS..Hα-helixtrans-60.7-46.4178.4-65.2160.3000110.5I41 A42 H166 H167 K172 D173 F176 V180I41-I170 HydrophobicContact CB-CD1 3.88Å; I41-I170 HydrophobicContact CG2-CD1 3.87Å; I41-I170 HydrophobicContact CG2-CG1 4.44Å; A42-I170 HydrophobicContact CB-CD1 4.12Å; A42-I170 HydrophobicContact CB-CG1 3.85Å; H166-I170 WeakPolarHBondContact O-CD1 3.44Å; H166-I170 WeakPolarHBondContact O-CG1 3.34Å; H166-I170 PolarHBondContact O-N 3.13Å; H167-I170 PolarHBondContact O-N 2.87Å; I170-K172 PolarHBondContact O-N 3.08Å; I170-D173 PolarHBondContact O-N 2.92Å; I170-F176 HydrophobicContact CG2-CD1 3.79Å; I170-F176 HydrophobicContact CG2-CE1 4.11Å; I170-V180 HydrophobicContact CD1-CB 4.07Å; I170-V180 HydrophobicContact CD1-CG1 3.94Å; I170-V180 HydrophobicContact CD1-CG2 4.19Å; I170-V180 HydrophobicContact CG2-CB 4.09Å; I170-V180 HydrophobicContact CG2-CG2 3.91Å
171A93.3Very high94.9Very high88 Ų8859.3 Ų59.373%0.72735%0.345SS*.Hα-helixtrans-64.5-24.1-179.300000113.6H167 E169H167-A171 VanDerWaalsContact O-CB 3.26Å; H167-A171 WeakPolarHBondContact O-CB 3.43Å; H167-A171 PolarHBondContact O-N 3.27Å; E169-A171 PolarHBondContact O-N 3.41Å
172K94.4Very high94.9Very high170 Ų17057.7 Ų57.774%0.73934%0.336SS*.Hα-helixtrans-80-20.7174.7-74.3166.3-170.8168.50112.7A168 E169 I170 G174A168-K172 VanDerWaalsContact O-CD 3.3Å; A168-K172 WeakPolarHBondContact O-CD 3.38Å; A168-K172 WeakPolarHBondContact O-CG 3.32Å; A168-K172 PolarHBondContact O-N 2.86Å; E169-K172 PolarHBondContact O-N 2.85Å; I170-K172 PolarHBondContact O-N 3.08Å; K172-G174 PolarHBondContact O-N 2.92Å
173D92.4Very high94.9Very high53 Ų5354.8 Ų54.828%0.28332%0.321SS..  trans-84.790.3-179.7-172.3-8.1000111.3R143 E169 I170 S175 F176R143-D173 IonicContact CZ-OD2 2.68Å; R143-D173 IonicContact NH1-OD2 2.87Å; R143-D173 PolarHBondContact NH1-OD2 3.39Å; R143-D173 IonicContact NH2-OD2 3.29Å; E169-D173 PolarHBondContact O-N 3.45Å; I170-D173 PolarHBondContact O-N 2.92Å; D173-S175 PolarHBondContact O-N 2.96Å; D173-S175 WeakPolarHBondContact OD1-CB 3.5Å; D173-S175 PolarHBondContact OD1-N 3.45Å; D173-S175 PolarHBondContact OD1-OG 3.08Å; D173-S175 PolarHBondContact OD2-OG 2.88Å; D173-F176 PolarHBondContact O-N 2.96Å; D173-F176 VanDerWaalsContact O-N 3.12Å
174G85.8Confident94.9Very high77 Ų7751.6 Ų51.679%0.79430%0.298SS*.THydrogen-bonded Turntrans-63.3-9.8178.200000115.3K172 F176K172-G174 PolarHBondContact O-N 2.92Å; G174-F176 VanDerWaalsContact C-N 3.35Å
175S88.1Confident94.9Very high92 Ų9253.2 Ų53.264%0.64330%0.304SS*.THydrogen-bonded Turntrans-78.4-20.9174.875.90000112.9D173D173-S175 PolarHBondContact O-N 2.96Å; D173-S175 WeakPolarHBondContact OD1-CB 3.5Å; D173-S175 PolarHBondContact OD1-N 3.45Å; D173-S175 PolarHBondContact OD1-OG 3.08Å; D173-S175 PolarHBondContact OD2-OG 2.88Å
176F90Very high94.9Very high14 Ų1448 Ų486%0.06128%0.28CS..  trans-104.7106.6179.1-173.8-114000110.8I41 R143 M146 Q147 I170 D173 G174 I178 V180I41-F176 HydrophobicContact CG2-CE1 3.98Å; I41-F176 HydrophobicContact CG2-CZ 4.2Å; R143-F176 HydrophobicContact CB-CD2 3.91Å; R143-F176 HydrophobicContact CB-CE2 3.47Å; R143-F176 VanDerWaalsContact CB-CE2 3.47Å; R143-F176 HydrophobicContact CB-CZ 4.09Å; R143-F176 HydrophobicContact CG-CD2 3.92Å; R143-F176 HydrophobicContact CG-CE1 4.4Å; R143-F176 HydrophobicContact CG-CE2 3.61Å; R143-F176 HydrophobicContact CG-CG 4.45Å; R143-F176 HydrophobicContact CG-CZ 3.84Å; M146-F176 HydrophobicContact CE-CZ 4.14Å; M146-F176 HydrophobicContact SD-CZ 4.15Å; Q147-F176 HydrophobicContact CG-CE2 4.41Å; I170-F176 HydrophobicContact CG2-CD1 3.79Å; I170-F176 HydrophobicContact CG2-CE1 4.11Å; D173-F176 PolarHBondContact O-N 2.96Å; D173-F176 VanDerWaalsContact O-N 3.12Å; G174-F176 VanDerWaalsContact C-N 3.35Å; F176-I178 HydrophobicContact CD1-CB 4.49Å; F176-I178 HydrophobicContact CE1-CB 3.82Å; F176-I178 WeakPolarHBondContact CE1-O 3.41Å; F176-I178 HydrophobicContact CE2-CB 4.11Å; F176-I178 HydrophobicContact CE2-CD1 3.81Å; F176-I178 HydrophobicContact CE2-CG1 3.98Å; F176-I178 HydrophobicContact CZ-CB 3.62Å; F176-I178 HydrophobicContact CZ-CD1 3.87Å; F176-I178 HydrophobicContact CZ-CG1 3.98Å; F176-I178 HydrophobicContact CZ-CG2 4.44Å; F176-V180 HydrophobicContact CE1-CG2 3.96Å
177T86.5Confident94.9Very high119 Ų11947.2 Ų47.273%0.7328%0.277SS*.  trans-87.5-8.3-169.7550000114.7
178I91.1Very high94.8Very high8 Ų851.8 Ų51.84%0.04130%0.297CS..SBendtrans-78.4127.1179.6-52.2-179.6000109M146 Q147 V151 F176 V180M146-I178 HydrophobicContact CB-CD1 3.61Å; M146-I178 HydrophobicContact CE-CG2 3.92Å; Q147-I178 HydrophobicContact CG-CD1 3.92Å; V151-I178 HydrophobicContact CB-CD1 4.24Å; V151-I178 HydrophobicContact CB-CG2 4.37Å; V151-I178 HydrophobicContact CG1-CG2 3.86Å; V151-I178 WeakPolarHBondContact O-CD1 3.35Å; V151-I178 WeakPolarHBondContact O-CG1 3.39Å; F176-I178 HydrophobicContact CD1-CB 4.49Å; F176-I178 HydrophobicContact CE1-CB 3.82Å; F176-I178 WeakPolarHBondContact CE1-O 3.41Å; F176-I178 HydrophobicContact CE2-CB 4.11Å; F176-I178 HydrophobicContact CE2-CD1 3.81Å; F176-I178 HydrophobicContact CE2-CG1 3.98Å; F176-I178 HydrophobicContact CZ-CB 3.62Å; F176-I178 HydrophobicContact CZ-CD1 3.87Å; F176-I178 HydrophobicContact CZ-CG1 3.98Å; F176-I178 HydrophobicContact CZ-CG2 4.44Å; I178-V180 PolarHBondContact O-N 2.85Å
179K92.7Very high94.9Very high125 Ų12550.7 Ų50.754%0.54329%0.288SS..EExtended strand (participates in β ladder)trans-76.2120.2179.8-67.2-178.7-179.9173.20110.5K152 M153 V154 L181K152-K179 PolarHBondContact O-N 3.16Å; M153-K179 CarbonylContact C-O 3.58Å; M153-K179 WeakPolarHBondContact CA-O 3.5Å; M153-K179 HydrophobicContact CB-CB 4.19Å; M153-K179 HydrophobicContact CG-CB 4.07Å; V154-K179 PolarHBondContact N-O 3.24Å; K179-L181 HydrophobicContact CB-CD2 4.47Å; K179-L181 HydrophobicContact CB-CG 4.24Å
180V97.6Very high94.9Very high10 Ų1046 Ų466%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-108104.3172.3-177.20000107.1I41 M146 V154 T156 I170 F176 I178I41-V180 HydrophobicContact CD1-CG1 4.14Å; I41-V180 HydrophobicContact CD1-CG2 4.34Å; I41-V180 HydrophobicContact CG2-CG2 3.98Å; M146-V180 HydrophobicContact CE-CG2 4.43Å; V154-V180 HydrophobicContact CG2-CB 4.06Å; V154-V180 HydrophobicContact CG2-CG1 3.9Å; V154-V180 HydrophobicContact CG2-CG2 3.79Å; T156-V180 HydrophobicContact CG2-CG1 4.02Å; I170-V180 HydrophobicContact CD1-CB 4.07Å; I170-V180 HydrophobicContact CD1-CG1 3.94Å; I170-V180 HydrophobicContact CD1-CG2 4.19Å; I170-V180 HydrophobicContact CG2-CB 4.09Å; I170-V180 HydrophobicContact CG2-CG2 3.91Å; F176-V180 HydrophobicContact CE1-CG2 3.96Å; I178-V180 PolarHBondContact O-N 2.85Å
181L98Very high94.9Very high36 Ų3647.1 Ų47.119%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-114.6140-173.1-56.3-178.9000110.1M153 V154 G155 T156 K179M153-L181 HydrophobicContact CE-CB 4.27Å; M153-L181 HydrophobicContact CE-CD1 3.89Å; M153-L181 HydrophobicContact CE-CG 4.41Å; M153-L181 HydrophobicContact CG-CD1 4.31Å; V154-L181 PolarHBondContact O-N 3.43Å; G155-L181 CarbonylContact C-O 3.59Å; G155-L181 WeakPolarHBondContact CA-O 3.44Å; T156-L181 PolarHBondContact N-O 3.37Å; T156-L181 PolarHBondContact OG1-O 3.1Å; K179-L181 HydrophobicContact CB-CD2 4.47Å; K179-L181 HydrophobicContact CB-CG 4.24Å
182P98.4Very high95.1Very high1 Ų142.9 Ų42.91%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-75.8136.1177.230.1-31.5000110.6D158 L164 F229 H232 C234D158-P182 HydrophobicContact CB-CB 4.21Å; D158-P182 VanDerWaalsContact OD2-CA 3.25Å; D158-P182 WeakPolarHBondContact OD2-CA 3.44Å; D158-P182 WeakPolarHBondContact OD2-CB 3.32Å; L164-P182 HydrophobicContact CD1-CB 4.27Å; L164-P182 HydrophobicContact CD1-CG 3.97Å; L164-P182 HydrophobicContact CD2-CB 3.81Å; L164-P182 HydrophobicContact CD2-CG 4.34Å; P182-F229 HydrophobicContact CB-CD1 4Å; P182-F229 HydrophobicContact CB-CE1 3.92Å; P182-F229 HydrophobicContact CG-CD1 4.16Å; P182-H232 WeakPolarHBondContact CD-O 3.49Å; P182-H232 HydrophobicContact CG-CB 4.08Å; P182-C234 HydrophobicContact CG-CB 4.24Å; P182-C234 WeakPolarHBondContact O-CB 3.48Å; P182-C234 PolarHBondContact O-SG 3.2Å
183S98.2Very high95.2Very high3 Ų338.4 Ų38.42%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-101.6127.6167.7-43.50000109.1T156 D158 R185 V236T156-S183 WeakPolarHBondContact O-CA 3.29Å; T156-S183 WeakPolarHBondContact O-CB 3.4Å; T156-S183 PolarHBondContact O-N 3.37Å; T156-S183 PolarHBondContact O-OG 3.08Å; D158-S183 PolarHBondContact N-O 3.04Å; S183-R185 PolarHBondContact O-N 3.08Å; S183-V236 VanDerWaalsContact CA-O 3.32Å; S183-V236 WeakPolarHBondContact CA-O 3.38Å
184W98.6Very high95.3Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-72.7114.3-173.8171.5-84.4000111.9P160 P186 L222 R225 L226 F229 V236 S237 D238 Y287 W292P160-W184 HydrophobicContact CB-CH2 3.55Å; P160-W184 HydrophobicContact CB-CZ2 3.94Å; P160-W184 HydrophobicContact CB-CZ3 3.86Å; P160-W184 HydrophobicContact CG-CD2 4.26Å; P160-W184 HydrophobicContact CG-CE3 4.33Å; P160-W184 HydrophobicContact CG-CH2 3.72Å; P160-W184 HydrophobicContact CG-CZ2 3.58Å; P160-W184 HydrophobicContact CG-CZ3 4.08Å; W184-P186 HydrophobicContact CZ2-CB 4.41Å; W184-P186 VanDerWaalsContact NE1-CG 3.34Å; W184-P186 WeakPolarHBondContact O-CD 3.47Å; W184-L222 HydrophobicContact CH2-CD2 4.43Å; W184-L222 HydrophobicContact CZ2-CD2 4.04Å; W184-R225 HydrophobicContact CH2-CB 3.53Å; W184-R225 HydrophobicContact CZ3-CB 3.74Å; W184-R225 WeakPolarHBondContact CZ3-O 2.86Å; W184-L226 HydrophobicContact CD2-CD2 3.65Å; W184-L226 HydrophobicContact CE3-CD2 3.97Å; W184-L226 HydrophobicContact CG-CD2 4.17Å; W184-L226 HydrophobicContact CH2-CD2 4.01Å; W184-L226 HydrophobicContact CH2-CG 3.84Å; W184-L226 HydrophobicContact CZ2-CD2 3.72Å; W184-L226 HydrophobicContact CZ2-CG 3.81Å; W184-L226 HydrophobicContact CZ3-CD2 4.15Å; W184-L226 HydrophobicContact CZ3-CG 4.26Å; W184-F229 HydrophobicContact CB-CD1 4.11Å; W184-F229 HydrophobicContact CB-CE1 4.27Å; W184-F229 HydrophobicContact CE3-CB 4.04Å; W184-F229 AromaticContact CE3-CD1 3.76Å; W184-F229 HydrophobicContact CE3-CD1 3.76Å; W184-F229 AromaticContact CE3-CD2 3.47Å; W184-F229 HydrophobicContact CE3-CD2 3.47Å; W184-F229 VanDerWaalsContact CE3-CD2 3.47Å; W184-F229 AromaticContact CE3-CE1 3.97Å; W184-F229 HydrophobicContact CE3-CE1 3.97Å; W184-F229 AromaticContact CE3-CE2 3.71Å; W184-F229 HydrophobicContact CE3-CE2 3.71Å; W184-F229 AromaticContact CE3-CG 3.49Å; W184-F229 HydrophobicContact CE3-CG 3.49Å; W184-F229 VanDerWaalsContact CE3-CG 3.49Å; W184-F229 AromaticContact CE3-CZ 3.96Å; W184-F229 HydrophobicContact CE3-CZ 3.96Å; W184-F229 HydrophobicContact CZ3-CB 4.48Å; W184-F229 AromaticContact CZ3-CD2 3.53Å; W184-F229 HydrophobicContact CZ3-CD2 3.53Å; W184-F229 AromaticContact CZ3-CE2 3.79Å; W184-F229 HydrophobicContact CZ3-CE2 3.79Å; W184-F229 AromaticContact CZ3-CG 4Å; W184-F229 HydrophobicContact CZ3-CG 4Å; W184-F229 HydrophobicContact CZ3-CZ 4.44Å; W184-V236 PolarHBondContact N-O 3.26Å; W184-S237 CarbonylContact O-C 3.59Å; W184-S237 VanDerWaalsContact O-CA 3.23Å; W184-S237 WeakPolarHBondContact O-CA 2.96Å; W184-S237 WeakPolarHBondContact O-CB 3.32Å; W184-D238 PolarHBondContact O-N 3.39Å; W184-Y287 AromaticContact CD1-CZ 3.91Å; W184-Y287 PolarHBondContact NE1-OH 3.23Å; W184-Y287 VanDerWaalsContact NE1-OH 3.09Å; W184-W292 HydrophobicContact CB-CZ3 4.04Å; W184-W292 HydrophobicContact CG-CZ3 4.33Å
185R98.5Very high95.7Very high40 Ų4040.9 Ų40.915%0.15122%0.224CC..  trans-11892.6179-174161.4-171.3149.7-4.2114.5T157 D158 P160 S183 D187 D238T157-R185 HydrophobicContact CG2-CB 3.84Å; T157-R185 HydrophobicContact CG2-CG 4.12Å; D158-R185 PolarHBondContact O-N 3.41Å; P160-R185 WeakPolarHBondContact CD-O 3.47Å; S183-R185 PolarHBondContact O-N 3.08Å; R185-D187 IonicContact CZ-OD2 3.85Å; R185-D187 IonicContact NE-OD2 3.18Å; R185-D187 PolarHBondContact NE-OD2 3.08Å; R185-D187 IonicContact NH2-OD2 3.36Å; R185-D187 PolarHBondContact NH2-OD2 2.91Å; R185-D187 VanDerWaalsContact NH2-OD2 3.12Å; R185-D187 PolarHBondContact O-N 3.24Å; R185-D238 VanDerWaalsContact CA-O 3.24Å; R185-D238 WeakPolarHBondContact CA-O 3.27Å; R185-D238 WeakPolarHBondContact CD-OD2 3.37Å; R185-D238 WeakPolarHBondContact CG-O 3.44Å; R185-D238 IonicContact CZ-OD2 2.75Å; R185-D238 IonicContact NE-OD2 3.48Å; R185-D238 IonicContact NH1-OD2 3.61Å; R185-D238 PolarHBondContact NH1-OD2 3.2Å
186P98.2Very high96Very high0 Ų040.4 Ų40.40%022%0.217CC..  trans-93.923.6-170.638.8-34.9000113.9P160 W184 K188 A189 F190 H239 L283P160-P186 HydrophobicContact CG-CB 3.84Å; W184-P186 HydrophobicContact CZ2-CB 4.41Å; W184-P186 VanDerWaalsContact NE1-CG 3.34Å; W184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-K188 PolarHBondContact O-N 3.01Å; P186-K188 VanDerWaalsContact O-N 3.09Å; P186-A189 HydrophobicContact CB-CB 4.28Å; P186-A189 WeakPolarHBondContact O-CA 3.49Å; P186-A189 VanDerWaalsContact O-CB 3.27Å; P186-A189 WeakPolarHBondContact O-CB 3.45Å; P186-A189 PolarHBondContact O-N 2.89Å; P186-F190 HydrophobicContact CG-CD1 4.4Å; P186-F190 HydrophobicContact CG-CE1 4.31Å; P186-F190 VanDerWaalsContact O-CD1 3.3Å; P186-F190 WeakPolarHBondContact O-CD1 3.48Å; P186-F190 PolarHBondContact O-N 3.1Å; P186-H239 VanDerWaalsContact CG-CE1 3.41Å; P186-H239 WeakPolarHBondContact CG-CE1 3.36Å; P186-L283 HydrophobicContact CB-CD1 4.14Å; P186-L283 HydrophobicContact CG-CD1 3.73Å
187D98.4Very high96.4Very high22 Ų2239.8 Ų39.812%0.11821%0.214CC..Hα-helixtrans-49.2-43.2-174.5-69-7.6000112.8R185 A189 F190 N191 H239 A240R185-D187 IonicContact CZ-OD2 3.85Å; R185-D187 IonicContact NE-OD2 3.18Å; R185-D187 PolarHBondContact NE-OD2 3.08Å; R185-D187 IonicContact NH2-OD2 3.36Å; R185-D187 PolarHBondContact NH2-OD2 2.91Å; R185-D187 VanDerWaalsContact NH2-OD2 3.12Å; R185-D187 PolarHBondContact O-N 3.24Å; D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 2.91Å; D187-F190 VanDerWaalsContact CA-CE1 3.4Å; D187-F190 HydrophobicContact CB-CE1 4.39Å; D187-F190 HydrophobicContact CB-CZ 4.24Å; D187-F190 PolarHBondContact O-N 3.28Å; D187-F190 WeakPolarHBondContact OD1-CZ 3.31Å; D187-N191 VanDerWaalsContact O-CB 3.22Å; D187-N191 WeakPolarHBondContact O-CB 3.37Å; D187-N191 PolarHBondContact O-N 3.11Å; D187-N191 PolarHBondContact O-ND2 2.75Å; D187-H239 VanDerWaalsContact OD1-CA 3.3Å; D187-H239 WeakPolarHBondContact OD1-CA 3.37Å; D187-A240 PolarHBondContact OD1-N 3.5Å; D187-A240 WeakPolarHBondContact OD2-CB 3.41Å; D187-A240 PolarHBondContact OD2-N 3.17Å
188K98.2Very high96.9Very high102 Ų10236.1 Ų36.144%0.44319%0.19SC..Hα-helixtrans-70.7-19.7-179.7-60-178.3-163.3127.90113.6D159 P186 Y200D159-K188 WeakPolarHBondContact OD2-CD 3.32Å; D159-K188 IonicContact OD2-NZ 2.86Å; D159-K188 PolarHBondContact OD2-NZ 3.03Å; P186-K188 PolarHBondContact O-N 3.01Å; P186-K188 VanDerWaalsContact O-N 3.09Å; K188-Y200 HydrophobicContact CB-CD1 3.65Å; K188-Y200 HydrophobicContact CB-CD2 3.68Å; K188-Y200 HydrophobicContact CB-CE1 3.67Å; K188-Y200 HydrophobicContact CB-CE2 3.66Å; K188-Y200 HydrophobicContact CB-CG 3.67Å; K188-Y200 HydrophobicContact CD-CD2 3.66Å; K188-Y200 HydrophobicContact CD-CE2 3.78Å; K188-Y200 HydrophobicContact CD-CG 4.34Å; K188-Y200 HydrophobicContact CG-CD2 4.34Å; K188-Y200 HydrophobicContact CG-CE2 4.34Å; K188-Y200 VanDerWaalsContact O-CD1 3.31Å; K188-Y200 WeakPolarHBondContact O-CD1 3.32Å
189A98.3Very high97.2Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-79.6-27.9178.700000112.8P186 D187 Y200 L222P186-A189 HydrophobicContact CB-CB 4.28Å; P186-A189 WeakPolarHBondContact O-CA 3.49Å; P186-A189 VanDerWaalsContact O-CB 3.27Å; P186-A189 WeakPolarHBondContact O-CB 3.45Å; P186-A189 PolarHBondContact O-N 2.89Å; D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 2.91Å; A189-Y200 HydrophobicContact CB-CE1 3.89Å; A189-L222 HydrophobicContact CB-CD2 3.98Å
190F97.9Very high97.5Very high1 Ų135.6 Ų35.60%0.00419%0.192CC..Hα-helixtrans-106.2-21.4178.565.8-106.4000113.9P186 D187 I192 H239 L241 K276 V279 L280P186-F190 HydrophobicContact CG-CD1 4.4Å; P186-F190 HydrophobicContact CG-CE1 4.31Å; P186-F190 VanDerWaalsContact O-CD1 3.3Å; P186-F190 WeakPolarHBondContact O-CD1 3.48Å; P186-F190 PolarHBondContact O-N 3.1Å; D187-F190 VanDerWaalsContact CA-CE1 3.4Å; D187-F190 HydrophobicContact CB-CE1 4.39Å; D187-F190 HydrophobicContact CB-CZ 4.24Å; D187-F190 PolarHBondContact O-N 3.28Å; D187-F190 WeakPolarHBondContact OD1-CZ 3.31Å; F190-I192 PolarHBondContact O-N 3.37Å; F190-H239 HydrophobicContact CE1-CB 4.12Å; F190-H239 AromaticContact CE1-ND1 3.63Å; F190-H239 HydrophobicContact CZ-CB 4.22Å; F190-L241 HydrophobicContact CE2-CD2 4.02Å; F190-L241 HydrophobicContact CZ-CD2 3.9Å; F190-K276 HydrophobicContact CD2-CD 4.3Å; F190-K276 HydrophobicContact CD2-CG 4.13Å; F190-K276 WeakPolarHBondContact O-CG 3.21Å; F190-V279 HydrophobicContact CB-CB 3.96Å; F190-V279 HydrophobicContact CB-CG1 3.88Å; F190-V279 HydrophobicContact CB-CG2 4.41Å; F190-L280 HydrophobicContact CD1-CD2 4.14Å; F190-L280 HydrophobicContact CE1-CD2 4.15Å
191N97.6Very high97.6Very high28 Ų2835.4 Ų35.415%0.1519%0.191CC..  trans-76.465.3177.1-69.3-39.5000112.6D187 E193 Q194 K276D187-N191 VanDerWaalsContact O-CB 3.22Å; D187-N191 WeakPolarHBondContact O-CB 3.37Å; D187-N191 PolarHBondContact O-N 3.11Å; D187-N191 PolarHBondContact O-ND2 2.75Å; N191-E193 WeakPolarHBondContact CA-OE2 3.38Å; N191-E193 PolarHBondContact O-N 2.81Å; N191-E193 VanDerWaalsContact O-N 3.17Å; N191-Q194 HydrophobicContact CB-CG 3.68Å; N191-Q194 WeakPolarHBondContact O-CB 2.99Å; N191-Q194 WeakPolarHBondContact O-CG 3.32Å; N191-Q194 PolarHBondContact O-N 3.17Å; N191-K276 VanDerWaalsContact OD1-CE 3.24Å; N191-K276 WeakPolarHBondContact OD1-CE 3.17Å; N191-K276 PolarHBondContact OD1-NZ 3.02Å
192I98.3Very high97.6Very high0 Ų036.9 Ų36.90%021%0.209CC..THydrogen-bonded Turntrans-58.3-27.1-175.9-167.5166.2000113.8F190 Q194 F197 I257 R261 L267 V272 F275F190-I192 PolarHBondContact O-N 3.37Å; I192-Q194 VanDerWaalsContact C-N 3.26Å; I192-Q194 PolarHBondContact O-N 3.08Å; I192-F197 VanDerWaalsContact CA-CD2 3.5Å; I192-F197 HydrophobicContact CB-CD2 4.3Å; I192-F197 HydrophobicContact CB-CE2 4.07Å; I192-F197 HydrophobicContact CB-CZ 4.19Å; I192-F197 HydrophobicContact CD1-CE1 4.18Å; I192-F197 HydrophobicContact CD1-CZ 4.18Å; I192-F197 HydrophobicContact CG1-CD1 4Å; I192-F197 HydrophobicContact CG1-CD2 4.43Å; I192-F197 HydrophobicContact CG1-CE1 3.73Å; I192-F197 HydrophobicContact CG1-CE2 4.15Å; I192-F197 HydrophobicContact CG1-CG 4.33Å; I192-F197 HydrophobicContact CG1-CZ 3.8Å; I192-I257 HydrophobicContact CD1-CG2 3.89Å; I192-R261 HydrophobicContact CD1-CB 3.95Å; I192-R261 HydrophobicContact CD1-CG 4.12Å; I192-R261 HydrophobicContact CG1-CB 4Å; I192-R261 HydrophobicContact CG1-CG 3.59Å; I192-R261 VanDerWaalsContact O-CD 3.31Å; I192-R261 WeakPolarHBondContact O-CD 3.44Å; I192-R261 PolarHBondContact O-NE 3.25Å; I192-L267 HydrophobicContact CB-CD1 4.48Å; I192-L267 HydrophobicContact CD1-CD1 3.58Å; I192-L267 HydrophobicContact CG1-CD1 3.73Å; I192-L267 HydrophobicContact CG2-CD1 3.95Å; I192-V272 HydrophobicContact CG2-CB 4.3Å; I192-V272 HydrophobicContact CG2-CG1 4.13Å; I192-V272 HydrophobicContact CG2-CG2 4.08Å; I192-F275 HydrophobicContact CB-CD1 3.62Å; I192-F275 HydrophobicContact CB-CE1 3.91Å; I192-F275 HydrophobicContact CB-CG 4.25Å; I192-F275 HydrophobicContact CD1-CB 4.21Å; I192-F275 HydrophobicContact CD1-CD1 3.76Å; I192-F275 HydrophobicContact CD1-CD2 3.73Å; I192-F275 HydrophobicContact CD1-CE1 3.96Å; I192-F275 HydrophobicContact CD1-CE2 3.94Å; I192-F275 HydrophobicContact CD1-CG 3.62Å; I192-F275 HydrophobicContact CD1-CZ 4.04Å; I192-F275 HydrophobicContact CG1-CD1 4.22Å; I192-F275 HydrophobicContact CG1-CE1 4.33Å; I192-F275 HydrophobicContact CG2-CB 4.16Å; I192-F275 HydrophobicContact CG2-CD1 3.86Å; I192-F275 HydrophobicContact CG2-CG 4.23Å
193E96.8Very high97.6Very high75 Ų7542.4 Ų42.435%0.3523%0.232SC..THydrogen-bonded Turntrans-71.7-17.517876.7-71.6176.600113.7N191 V272 K276N191-E193 WeakPolarHBondContact CA-OE2 3.38Å; N191-E193 PolarHBondContact O-N 2.81Å; N191-E193 VanDerWaalsContact O-N 3.17Å; E193-V272 HydrophobicContact CB-CG1 4.33Å; E193-V272 HydrophobicContact CB-CG2 3.97Å; E193-V272 WeakPolarHBondContact OE2-CG1 3.26Å; E193-K276 VanDerWaalsContact CD-NZ 3.25Å; E193-K276 IonicContact OE1-NZ 3.27Å; E193-K276 PolarHBondContact OE1-NZ 3.09Å; E193-K276 WeakPolarHBondContact OE2-CE 3.38Å; E193-K276 IonicContact OE2-NZ 2.69Å; E193-K276 PolarHBondContact OE2-NZ 2.88Å
194Q95.1Very high97.6Very high92 Ų9242.2 Ų42.243%0.4323%0.231SC..SBendtrans-69.1140-175.8-64.2-63.7-33.100110.9N191 I192 T196 F197 R261N191-Q194 HydrophobicContact CB-CG 3.68Å; N191-Q194 WeakPolarHBondContact O-CB 2.99Å; N191-Q194 WeakPolarHBondContact O-CG 3.32Å; N191-Q194 PolarHBondContact O-N 3.17Å; I192-Q194 VanDerWaalsContact C-N 3.26Å; I192-Q194 PolarHBondContact O-N 3.08Å; Q194-T196 PolarHBondContact O-N 2.87Å; Q194-T196 VanDerWaalsContact O-N 3.13Å; Q194-F197 VanDerWaalsContact O-CB 3.23Å; Q194-F197 WeakPolarHBondContact O-CB 3.48Å; Q194-F197 PolarHBondContact O-N 2.74Å; Q194-R261 PolarHBondContact O-NH2 3.27Å
195A92.5Very high97.6Very high91 Ų9142.7 Ų42.775%0.75224%0.236SC*.THydrogen-bonded Turntrans-57.2-32.5-179.700000112.4F197A195-F197 VanDerWaalsContact C-N 3.3Å; A195-F197 PolarHBondContact O-N 2.77Å
196T94.9Very high97.6Very high81 Ų8148.2 Ų48.250%0.49726%0.263SS..THydrogen-bonded Turntrans-80.5-1.4-179.452.10000114.5Q194 N198 D199 Y200Q194-T196 PolarHBondContact O-N 2.87Å; Q194-T196 VanDerWaalsContact O-N 3.13Å; T196-N198 PolarHBondContact O-N 3.13Å; T196-D199 PolarHBondContact O-N 2.66Å; T196-Y200 WeakPolarHBondContact O-CB 3.29Å; T196-Y200 PolarHBondContact O-N 3.02Å
197F98.1Very high97.7Very high2 Ų251 Ų511%0.00928%0.28CS..Hα-helixtrans-59.1-45.9-174-179.3-98.4000113.1I192 Q194 A195 D199 Y200 M201 L258 R261 F275I192-F197 VanDerWaalsContact CA-CD2 3.5Å; I192-F197 HydrophobicContact CB-CD2 4.3Å; I192-F197 HydrophobicContact CB-CE2 4.07Å; I192-F197 HydrophobicContact CB-CZ 4.19Å; I192-F197 HydrophobicContact CD1-CE1 4.18Å; I192-F197 HydrophobicContact CD1-CZ 4.18Å; I192-F197 HydrophobicContact CG1-CD1 4Å; I192-F197 HydrophobicContact CG1-CD2 4.43Å; I192-F197 HydrophobicContact CG1-CE1 3.73Å; I192-F197 HydrophobicContact CG1-CE2 4.15Å; I192-F197 HydrophobicContact CG1-CG 4.33Å; I192-F197 HydrophobicContact CG1-CZ 3.8Å; Q194-F197 VanDerWaalsContact O-CB 3.23Å; Q194-F197 WeakPolarHBondContact O-CB 3.48Å; Q194-F197 PolarHBondContact O-N 2.74Å; A195-F197 VanDerWaalsContact C-N 3.3Å; A195-F197 PolarHBondContact O-N 2.77Å; F197-D199 PolarHBondContact O-N 3.4Å; F197-Y200 WeakPolarHBondContact O-CB 3.2Å; F197-Y200 PolarHBondContact O-N 3Å; F197-Y200 VanDerWaalsContact O-N 3.14Å; F197-M201 HydrophobicContact CD1-CG 3.91Å; F197-M201 HydrophobicContact CD2-CE 4.3Å; F197-M201 HydrophobicContact CD2-CG 4.46Å; F197-M201 HydrophobicContact CE1-CG 3.44Å; F197-M201 VanDerWaalsContact CE1-CG 3.44Å; F197-M201 HydrophobicContact CE1-SD 4.11Å; F197-M201 HydrophobicContact CE2-CE 3.68Å; F197-M201 HydrophobicContact CE2-CG 4.08Å; F197-M201 HydrophobicContact CE2-SD 4.03Å; F197-M201 HydrophobicContact CG-CG 4.4Å; F197-M201 HydrophobicContact CZ-CE 3.91Å; F197-M201 HydrophobicContact CZ-CG 3.55Å; F197-M201 HydrophobicContact CZ-SD 3.6Å; F197-M201 VanDerWaalsContact CZ-SD 3.6Å; F197-M201 WeakPolarHBondContact O-CG 3.35Å; F197-M201 PolarHBondContact O-N 2.94Å; F197-L258 HydrophobicContact CE1-CD1 3.89Å; F197-L258 HydrophobicContact CZ-CD1 4.05Å; F197-R261 HydrophobicContact CD1-CG 3.67Å; F197-R261 HydrophobicContact CE1-CG 4.02Å; F197-F275 HydrophobicContact CE2-CE1 4.13Å; F197-F275 HydrophobicContact CE2-CZ 4.41Å; F197-F275 HydrophobicContact CZ-CE1 4.01Å; F197-F275 AromaticContact CZ-CZ 3.88Å; F197-F275 HydrophobicContact CZ-CZ 3.88Å
198N97.9Very high97.7Very high41 Ų4150.3 Ų50.322%0.21928%0.277CS..Hα-helixtrans-64.8-41.6-177.6-66.317.6000111.6T196 Y200 M201 A202 R261 L262T196-N198 PolarHBondContact O-N 3.13Å; N198-Y200 VanDerWaalsContact C-N 3.27Å; N198-Y200 PolarHBondContact O-N 3.39Å; N198-M201 PolarHBondContact O-N 3.41Å; N198-A202 PolarHBondContact O-N 2.95Å; N198-R261 PolarHBondContact ND2-O 2.91Å; N198-R261 PolarHBondContact OD1-NH1 3.36Å; N198-R261 PolarHBondContact OD1-O 2.99Å; N198-L262 WeakPolarHBondContact ND2-CA 3.36Å; N198-L262 PolarHBondContact ND2-O 2.94Å; N198-L262 VanDerWaalsContact ND2-O 3.11Å
199D98Very high97.7Very high112 Ų11252.4 Ų52.460%0.59929%0.293SS*.Hα-helixtrans-63.6-37.1175.2-63.9-23.6000111.2T196 F197 K203T196-D199 PolarHBondContact O-N 2.66Å; F197-D199 PolarHBondContact O-N 3.4Å; D199-K203 WeakPolarHBondContact O-CG 3.37Å; D199-K203 PolarHBondContact O-N 3.38Å; D199-K203 VanDerWaalsContact O-N 3.16Å
200Y98.5Very high97.7Very high10 Ų1053.4 Ų53.44%0.03930%0.299CS..Hα-helixtrans-68.9-42.9176.9-175.5-101.1000112.2D159 I161 K188 A189 T196 F197 N198 A202 K203 L204D159-Y200 WeakPolarHBondContact OD1-CE2 3.47Å; D159-Y200 VanDerWaalsContact OD1-CZ 3.29Å; D159-Y200 PolarHBondContact OD1-OH 2.88Å; I161-Y200 HydrophobicContact CD1-CD2 4.12Å; I161-Y200 HydrophobicContact CD1-CE2 3.85Å; I161-Y200 HydrophobicContact CG1-CE2 4.18Å; I161-Y200 HydrophobicContact CG2-CD2 4.42Å; I161-Y200 HydrophobicContact CG2-CE2 3.67Å; K188-Y200 HydrophobicContact CB-CD1 3.65Å; K188-Y200 HydrophobicContact CB-CD2 3.68Å; K188-Y200 HydrophobicContact CB-CE1 3.67Å; K188-Y200 HydrophobicContact CB-CE2 3.66Å; K188-Y200 HydrophobicContact CB-CG 3.67Å; K188-Y200 HydrophobicContact CD-CD2 3.66Å; K188-Y200 HydrophobicContact CD-CE2 3.78Å; K188-Y200 HydrophobicContact CD-CG 4.34Å; K188-Y200 HydrophobicContact CG-CD2 4.34Å; K188-Y200 HydrophobicContact CG-CE2 4.34Å; K188-Y200 VanDerWaalsContact O-CD1 3.31Å; K188-Y200 WeakPolarHBondContact O-CD1 3.32Å; A189-Y200 HydrophobicContact CB-CE1 3.89Å; T196-Y200 WeakPolarHBondContact O-CB 3.29Å; T196-Y200 PolarHBondContact O-N 3.02Å; F197-Y200 WeakPolarHBondContact O-CB 3.2Å; F197-Y200 PolarHBondContact O-N 3Å; F197-Y200 VanDerWaalsContact O-N 3.14Å; N198-Y200 VanDerWaalsContact C-N 3.27Å; N198-Y200 PolarHBondContact O-N 3.39Å; Y200-A202 VanDerWaalsContact C-N 3.3Å; Y200-A202 PolarHBondContact O-N 3.01Å; Y200-K203 PolarHBondContact O-N 2.87Å; Y200-L204 HydrophobicContact CE1-CD2 4.39Å; Y200-L204 WeakPolarHBondContact O-CB 3.34Å; Y200-L204 PolarHBondContact O-N 2.94Å
201M98.6Very high97.7Very high6 Ų658.2 Ų58.23%0.0333%0.325CS..Hα-helixtrans-60.4-39.8174.5-70.3-63.4101.500111.9F197 N198 L204 G205 I212 L218 L262F197-M201 HydrophobicContact CD1-CG 3.91Å; F197-M201 HydrophobicContact CD2-CE 4.3Å; F197-M201 HydrophobicContact CD2-CG 4.46Å; F197-M201 HydrophobicContact CE1-CG 3.44Å; F197-M201 VanDerWaalsContact CE1-CG 3.44Å; F197-M201 HydrophobicContact CE1-SD 4.11Å; F197-M201 HydrophobicContact CE2-CE 3.68Å; F197-M201 HydrophobicContact CE2-CG 4.08Å; F197-M201 HydrophobicContact CE2-SD 4.03Å; F197-M201 HydrophobicContact CG-CG 4.4Å; F197-M201 HydrophobicContact CZ-CE 3.91Å; F197-M201 HydrophobicContact CZ-CG 3.55Å; F197-M201 HydrophobicContact CZ-SD 3.6Å; F197-M201 VanDerWaalsContact CZ-SD 3.6Å; F197-M201 WeakPolarHBondContact O-CG 3.35Å; F197-M201 PolarHBondContact O-N 2.94Å; N198-M201 PolarHBondContact O-N 3.41Å; M201-L204 HydrophobicContact CE-CD2 3.97Å; M201-L204 PolarHBondContact O-N 3.31Å; M201-G205 PolarHBondContact O-N 2.78Å; M201-I212 HydrophobicContact SD-CD1 4.49Å; M201-I212 HydrophobicContact SD-CG2 4.34Å; M201-L218 HydrophobicContact CE-CD1 4.16Å; M201-L218 HydrophobicContact SD-CD1 3.9Å; M201-L262 HydrophobicContact CB-CD2 4.09Å; M201-L262 HydrophobicContact CG-CD2 4.22Å
202A98.4Very high97.7Very high68 Ų6857.5 Ų57.556%0.56232%0.321SS*.Hα-helixtrans-61.2-46.917500000111.9N198 Y200 G205 E206N198-A202 PolarHBondContact O-N 2.95Å; Y200-A202 VanDerWaalsContact C-N 3.3Å; Y200-A202 PolarHBondContact O-N 3.01Å; A202-G205 PolarHBondContact O-N 3.27Å; A202-E206 PolarHBondContact O-N 2.82Å
203K98.7Very high97.6Very high116 Ų11665.3 Ų65.350%0.50435%0.35SS..Hα-helixtrans-65.8-42.9177-71.3-179.7-178.5-176.20112.7I161 D199 Y200 G205 E206 V207I161-K203 HydrophobicContact CD1-CB 4.31Å; I161-K203 HydrophobicContact CD1-CD 4.13Å; D199-K203 WeakPolarHBondContact O-CG 3.37Å; D199-K203 PolarHBondContact O-N 3.38Å; D199-K203 VanDerWaalsContact O-N 3.16Å; Y200-K203 PolarHBondContact O-N 2.87Å; K203-G205 VanDerWaalsContact C-N 3.28Å; K203-G205 PolarHBondContact O-N 2.89Å; K203-E206 WeakPolarHBondContact O-CB 3.46Å; K203-E206 PolarHBondContact O-N 3.41Å; K203-V207 WeakPolarHBondContact O-CG2 3.37Å; K203-V207 PolarHBondContact O-N 2.98Å
204L98.8Very high97.7Very high0 Ų067.7 Ų67.70%036%0.356CS..Hα-helixtrans-60.3-42175.9179.361.5000110.8P160 I161 Y200 M201 V207 S208 I212 L218 A221 L222 R225P160-L204 HydrophobicContact CB-CD1 4.38Å; I161-L204 HydrophobicContact CG2-CB 4.09Å; I161-L204 HydrophobicContact CG2-CD1 4.15Å; Y200-L204 HydrophobicContact CE1-CD2 4.39Å; Y200-L204 WeakPolarHBondContact O-CB 3.34Å; Y200-L204 PolarHBondContact O-N 2.94Å; M201-L204 HydrophobicContact CE-CD2 3.97Å; M201-L204 PolarHBondContact O-N 3.31Å; L204-V207 HydrophobicContact CD1-CG2 4.49Å; L204-S208 WeakPolarHBondContact O-CB 3.42Å; L204-S208 PolarHBondContact O-N 2.93Å; L204-S208 VanDerWaalsContact O-N 3.09Å; L204-S208 PolarHBondContact O-OG 3.01Å; L204-I212 HydrophobicContact CB-CD1 4.19Å; L204-I212 HydrophobicContact CD2-CD1 3.96Å; L204-I212 HydrophobicContact CG-CD1 3.91Å; L204-L218 HydrophobicContact CD2-CD1 3.66Å; L204-A221 HydrophobicContact CD2-CB 4.48Å; L204-A221 HydrophobicContact CG-CB 4.23Å; L204-L222 HydrophobicContact CD1-CD2 4.46Å; L204-L222 HydrophobicContact CD2-CD2 3.91Å; L204-L222 HydrophobicContact CD2-CG 4.4Å; L204-R225 HydrophobicContact CD1-CG 3.84Å
205G98.7Very high97.9Very high9 Ų963.8 Ų63.89%0.09334%0.338CS..Hα-helixtrans-61.8-42.1174.100000112.8M201 A202 K203 S208 D209 T210M201-G205 PolarHBondContact O-N 2.78Å; A202-G205 PolarHBondContact O-N 3.27Å; K203-G205 VanDerWaalsContact C-N 3.28Å; K203-G205 PolarHBondContact O-N 2.89Å; G205-S208 PolarHBondContact O-OG 2.86Å; G205-D209 WeakPolarHBondContact O-CA 3.4Å; G205-D209 PolarHBondContact O-N 2.92Å; G205-T210 CarbonylContact C-O 3.48Å; G205-T210 WeakPolarHBondContact CA-O 3.15Å; G205-T210 PolarHBondContact O-N 2.84Å
206E98.7Very high98.1Very high157 Ų15760.6 Ų60.673%0.73431%0.312SS*.Hα-helixtrans-61.9-54.3175.4-176-178.7177.200112.1A202 K203 S208 D209A202-E206 PolarHBondContact O-N 2.82Å; K203-E206 WeakPolarHBondContact O-CB 3.46Å; K203-E206 PolarHBondContact O-N 3.41Å; E206-S208 PolarHBondContact O-N 2.98Å; E206-D209 PolarHBondContact O-N 3.47Å
207V98.6Very high98.3Very high58 Ų5857.9 Ų57.935%0.35229%0.294SS..Hα-helixtrans-73.2-11.8-175.7-59.70000114.3I161 K203 L204 R225I161-V207 HydrophobicContact CB-CG2 4.04Å; I161-V207 HydrophobicContact CG2-CG2 4Å; K203-V207 WeakPolarHBondContact O-CG2 3.37Å; K203-V207 PolarHBondContact O-N 2.98Å; L204-V207 HydrophobicContact CD1-CG2 4.49Å; V207-R225 PolarHBondContact O-NH1 2.87Å
208S98.4Very high98.4Very high7 Ų757.9 Ų57.95%0.04929%0.294CS..THydrogen-bonded Turntrans-108.5017669.40000113L204 G205 E206 T210 A221 K224L204-S208 WeakPolarHBondContact O-CB 3.42Å; L204-S208 PolarHBondContact O-N 2.93Å; L204-S208 VanDerWaalsContact O-N 3.09Å; L204-S208 PolarHBondContact O-OG 3.01Å; G205-S208 PolarHBondContact O-OG 2.86Å; E206-S208 PolarHBondContact O-N 2.98Å; S208-T210 VanDerWaalsContact C-N 3.31Å; S208-T210 PolarHBondContact O-N 3.47Å; S208-T210 PolarHBondContact O-OG1 2.8Å; S208-T210 WeakPolarHBondContact OG-CB 3.32Å; S208-T210 PolarHBondContact OG-OG1 3Å; S208-A221 VanDerWaalsContact OG-CB 3.29Å; S208-A221 WeakPolarHBondContact OG-CB 3.35Å; S208-K224 WeakPolarHBondContact O-CD 3.48Å; S208-K224 PolarHBondContact O-NZ 2.93Å
209D98.1Very high98.4Very high146 Ų14658.6 Ų58.678%0.78130%0.296SS*.THydrogen-bonded Turntrans47.454.3-173.4-17137.2000111.6G205 E206 K224G205-D209 WeakPolarHBondContact O-CA 3.4Å; G205-D209 PolarHBondContact O-N 2.92Å; E206-D209 PolarHBondContact O-N 3.47Å; D209-K224 PolarHBondContact O-NZ 3Å
210T98.5Very high98.4Very high22 Ų2256.4 Ų56.414%0.13529%0.287CS..  trans-142.1123.1-176-50.30000110.3G205 S208 I212 D217 T220 A221 K224G205-T210 CarbonylContact C-O 3.48Å; G205-T210 WeakPolarHBondContact CA-O 3.15Å; G205-T210 PolarHBondContact O-N 2.84Å; S208-T210 VanDerWaalsContact C-N 3.31Å; S208-T210 PolarHBondContact O-N 3.47Å; S208-T210 PolarHBondContact O-OG1 2.8Å; S208-T210 WeakPolarHBondContact OG-CB 3.32Å; S208-T210 PolarHBondContact OG-OG1 3Å; T210-I212 HydrophobicContact CG2-CG1 4.44Å; T210-I212 PolarHBondContact O-N 2.85Å; T210-D217 HydrophobicContact CG2-CB 4.38Å; T210-D217 WeakPolarHBondContact CG2-O 3.47Å; T210-T220 HydrophobicContact CG2-CG2 4.35Å; T210-A221 HydrophobicContact CG2-CB 4.24Å; T210-K224 PolarHBondContact OG1-NZ 3.27Å
211D97.7Very high98.5Very high101 Ų10156 Ų5654%0.5429%0.285SS..  trans-79.599.7173.3-175.86.3000109.7R213D211-R213 PolarHBondContact O-N 2.76Å; D211-R213 IonicContact OD1-NE 2.86Å; D211-R213 PolarHBondContact OD1-NE 2.84Å; D211-R213 IonicContact OD1-NH2 2.69Å; D211-R213 IonicContact OD2-CZ 3.89Å; D211-R213 IonicContact OD2-NE 2.73Å; D211-R213 PolarHBondContact OD2-NE 2.77Å; D211-R213 IonicContact OD2-NH2 2.67Å; D211-R213 PolarHBondContact OD2-NH2 3.07Å
212I98.4Very high98.5Very high13 Ų1355.7 Ų55.77%0.06728%0.284CS..  trans-81.6101.6-173.2-56.8174.7000110.1M201 L204 T210 L218 A221 L258M201-I212 HydrophobicContact SD-CD1 4.49Å; M201-I212 HydrophobicContact SD-CG2 4.34Å; L204-I212 HydrophobicContact CB-CD1 4.19Å; L204-I212 HydrophobicContact CD2-CD1 3.96Å; L204-I212 HydrophobicContact CG-CD1 3.91Å; T210-I212 HydrophobicContact CG2-CG1 4.44Å; T210-I212 PolarHBondContact O-N 2.85Å; I212-L218 HydrophobicContact CD1-CD1 4.33Å; I212-L218 HydrophobicContact CG2-CB 3.93Å; I212-A221 HydrophobicContact CD1-CB 3.67Å; I212-A221 HydrophobicContact CG1-CB 4.05Å; I212-L258 HydrophobicContact CG2-CD2 4.24Å
213R96.8Very high98.5Very high164 Ų16454.3 Ų54.362%0.61927%0.268SS*.  trans-122.5-26.8175.7-58.8-170.7-173.8-171.76.3113.9D211 D217D211-R213 PolarHBondContact O-N 2.76Å; D211-R213 IonicContact OD1-NE 2.86Å; D211-R213 PolarHBondContact OD1-NE 2.84Å; D211-R213 IonicContact OD1-NH2 2.69Å; D211-R213 IonicContact OD2-CZ 3.89Å; D211-R213 IonicContact OD2-NE 2.73Å; D211-R213 PolarHBondContact OD2-NE 2.77Å; D211-R213 IonicContact OD2-NH2 2.67Å; D211-R213 PolarHBondContact OD2-NH2 3.07Å; R213-D217 PolarHBondContact N-OD2 2.96Å
214R98.1Very high98.5Very high125 Ų12552.7 Ų52.747%0.47226%0.262SS..SBendtrans-122.2162.7180-60.8171.9-62.5162.29.6110.2A216 D217 L218 D255R214-A216 VanDerWaalsContact C-N 3.27Å; R214-A216 PolarHBondContact O-N 2.53Å; R214-D217 VanDerWaalsContact CB-OD2 3.29Å; R214-D217 WeakPolarHBondContact CB-OD2 3.33Å; R214-D217 IonicContact CZ-OD1 2.95Å; R214-D217 PolarHBondContact N-OD2 2.92Å; R214-D217 IonicContact NE-OD1 3.37Å; R214-D217 IonicContact NE-OD2 2.7Å; R214-D217 PolarHBondContact NE-OD2 2.76Å; R214-D217 IonicContact NH2-OD1 2.67Å; R214-D217 PolarHBondContact NH2-OD1 2.83Å; R214-D217 IonicContact NH2-OD2 3.15Å; R214-D217 WeakPolarHBondContact O-CB 3.38Å; R214-D217 PolarHBondContact O-N 2.97Å; R214-L218 PolarHBondContact O-N 2.92Å; R214-L218 VanDerWaalsContact O-N 3.15Å; R214-D255 WeakPolarHBondContact CA-OD1 3.46Å; R214-D255 VanDerWaalsContact CB-OD1 3.27Å; R214-D255 WeakPolarHBondContact CB-OD1 3.39Å
215F98.6Very high98.5Very high11 Ų1153.8 Ų53.85%0.04827%0.265CS..Hα-helixtrans-59.6-39.6178.2-169.9-103.9000111.9D217 L218 Q219 L254 D255 F275 A278 V279F215-D217 VanDerWaalsContact C-N 3.25Å; F215-D217 PolarHBondContact O-N 2.84Å; F215-L218 HydrophobicContact CE2-CD2 4.48Å; F215-L218 WeakPolarHBondContact O-CB 3.37Å; F215-L218 PolarHBondContact O-N 3.48Å; F215-L218 VanDerWaalsContact O-N 3.13Å; F215-Q219 HydrophobicContact CD1-CG 4.06Å; F215-Q219 HydrophobicContact CE1-CG 3.8Å; F215-Q219 HydrophobicContact CZ-CG 4.34Å; F215-Q219 WeakPolarHBondContact O-CG 3.41Å; F215-Q219 PolarHBondContact O-N 2.83Å; F215-L254 HydrophobicContact CB-CB 3.88Å; F215-L254 HydrophobicContact CD1-CD1 3.79Å; F215-L254 HydrophobicContact CD2-CB 4.13Å; F215-L254 HydrophobicContact CD2-CD1 4.2Å; F215-L254 HydrophobicContact CE1-CD1 3.96Å; F215-L254 HydrophobicContact CE2-CD1 4.35Å; F215-L254 HydrophobicContact CG-CB 3.95Å; F215-L254 HydrophobicContact CG-CD1 3.92Å; F215-L254 HydrophobicContact CG-CG 4.48Å; F215-L254 HydrophobicContact CZ-CD1 4.25Å; F215-D255 PolarHBondContact N-OD1 2.82Å; F215-F275 HydrophobicContact CD2-CD2 4.36Å; F215-F275 AromaticContact CD2-CE2 3.97Å; F215-F275 HydrophobicContact CD2-CE2 3.97Å; F215-F275 HydrophobicContact CE2-CD2 4.45Å; F215-F275 HydrophobicContact CE2-CE2 4.19Å; F215-A278 HydrophobicContact CE1-CB 4.15Å; F215-A278 HydrophobicContact CE2-CB 3.96Å; F215-A278 HydrophobicContact CZ-CB 3.53Å; F215-V279 HydrophobicContact CE2-CG2 3.69Å; F215-V279 HydrophobicContact CZ-CG2 4.15Å
216A98.6Very high98.5Very high24 Ų2453.3 Ų53.320%0.19826%0.261CS..Hα-helixtrans-60.9-32.2174.100000113.4R214 T220R214-A216 VanDerWaalsContact C-N 3.27Å; R214-A216 PolarHBondContact O-N 2.53Å; A216-T220 WeakPolarHBondContact O-CB 3.27Å; A216-T220 PolarHBondContact O-N 3.09Å; A216-T220 PolarHBondContact O-OG1 3.17Å
217D98.8Very high98.5Very high24 Ų2449.7 Ų49.713%0.12825%0.247CC..Hα-helixtrans-71.7-39176.6-50.5-37.7000110.1T210 R213 R214 F215 T220 A221T210-D217 HydrophobicContact CG2-CB 4.38Å; T210-D217 WeakPolarHBondContact CG2-O 3.47Å; R213-D217 PolarHBondContact N-OD2 2.96Å; R214-D217 VanDerWaalsContact CB-OD2 3.29Å; R214-D217 WeakPolarHBondContact CB-OD2 3.33Å; R214-D217 IonicContact CZ-OD1 2.95Å; R214-D217 PolarHBondContact N-OD2 2.92Å; R214-D217 IonicContact NE-OD1 3.37Å; R214-D217 IonicContact NE-OD2 2.7Å; R214-D217 PolarHBondContact NE-OD2 2.76Å; R214-D217 IonicContact NH2-OD1 2.67Å; R214-D217 PolarHBondContact NH2-OD1 2.83Å; R214-D217 IonicContact NH2-OD2 3.15Å; R214-D217 WeakPolarHBondContact O-CB 3.38Å; R214-D217 PolarHBondContact O-N 2.97Å; F215-D217 VanDerWaalsContact C-N 3.25Å; F215-D217 PolarHBondContact O-N 2.84Å; D217-T220 WeakPolarHBondContact O-CB 3.27Å; D217-T220 PolarHBondContact O-N 3.32Å; D217-A221 WeakPolarHBondContact O-CB 3.32Å; D217-A221 PolarHBondContact O-N 3.04Å
218L98.8Very high98.5Very high1 Ų149.5 Ų49.51%0.00524%0.242CC..Hα-helixtrans-63.2-44.6172.5175.160.7000111.8M201 L204 I212 R214 F215 T220 A221 L222 F275 V279M201-L218 HydrophobicContact CE-CD1 4.16Å; M201-L218 HydrophobicContact SD-CD1 3.9Å; L204-L218 HydrophobicContact CD2-CD1 3.66Å; I212-L218 HydrophobicContact CD1-CD1 4.33Å; I212-L218 HydrophobicContact CG2-CB 3.93Å; R214-L218 PolarHBondContact O-N 2.92Å; R214-L218 VanDerWaalsContact O-N 3.15Å; F215-L218 HydrophobicContact CE2-CD2 4.48Å; F215-L218 WeakPolarHBondContact O-CB 3.37Å; F215-L218 PolarHBondContact O-N 3.48Å; F215-L218 VanDerWaalsContact O-N 3.13Å; L218-T220 VanDerWaalsContact C-N 3.3Å; L218-T220 PolarHBondContact O-N 3.14Å; L218-A221 PolarHBondContact O-N 2.81Å; L218-L222 HydrophobicContact CD1-CD1 3.92Å; L218-L222 HydrophobicContact CD1-CG 3.95Å; L218-L222 HydrophobicContact CG-CD1 3.97Å; L218-L222 HydrophobicContact CG-CG 4.4Å; L218-L222 WeakPolarHBondContact O-CB 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.31Å; L218-F275 HydrophobicContact CD2-CE1 4.35Å; L218-F275 HydrophobicContact CD2-CE2 4.13Å; L218-F275 HydrophobicContact CD2-CZ 3.47Å; L218-F275 VanDerWaalsContact CD2-CZ 3.47Å; L218-V279 HydrophobicContact CD2-CG2 4.16Å
219Q98.8Very high98.5Very high56 Ų5649.1 Ų49.126%0.26224%0.239SC..Hα-helixtrans-57.3-46.6174.7-69.7177.5-65.500110.6F215 A221 L222 T223 F282F215-Q219 HydrophobicContact CD1-CG 4.06Å; F215-Q219 HydrophobicContact CE1-CG 3.8Å; F215-Q219 HydrophobicContact CZ-CG 4.34Å; F215-Q219 WeakPolarHBondContact O-CG 3.41Å; F215-Q219 PolarHBondContact O-N 2.83Å; Q219-A221 PolarHBondContact O-N 2.89Å; Q219-L222 PolarHBondContact O-N 2.68Å; Q219-T223 WeakPolarHBondContact O-CB 3.31Å; Q219-T223 PolarHBondContact O-N 2.68Å; Q219-T223 PolarHBondContact O-OG1 2.86Å; Q219-F282 HydrophobicContact CB-CD2 4.33Å; Q219-F282 HydrophobicContact CB-CE1 4.11Å; Q219-F282 HydrophobicContact CB-CE2 3.85Å; Q219-F282 HydrophobicContact CB-CZ 3.72Å; Q219-F282 HydrophobicContact CG-CD1 4.07Å; Q219-F282 HydrophobicContact CG-CD2 3.91Å; Q219-F282 HydrophobicContact CG-CE1 4.12Å; Q219-F282 HydrophobicContact CG-CE2 3.95Å; Q219-F282 HydrophobicContact CG-CG 3.95Å; Q219-F282 HydrophobicContact CG-CZ 4.05Å; Q219-F282 WeakPolarHBondContact O-CZ 3.17Å
220T98.8Very high98.5Very high67 Ų6744.2 Ų44.241%0.41122%0.219SC..Hα-helixtrans-59.5-45.9177.2-59.80000111.9T210 A216 D217 L218 T223 K224T210-T220 HydrophobicContact CG2-CG2 4.35Å; A216-T220 WeakPolarHBondContact O-CB 3.27Å; A216-T220 PolarHBondContact O-N 3.09Å; A216-T220 PolarHBondContact O-OG1 3.17Å; D217-T220 WeakPolarHBondContact O-CB 3.27Å; D217-T220 PolarHBondContact O-N 3.32Å; L218-T220 VanDerWaalsContact C-N 3.3Å; L218-T220 PolarHBondContact O-N 3.14Å; T220-T223 PolarHBondContact O-N 3.39Å; T220-K224 WeakPolarHBondContact O-CG 3.29Å; T220-K224 PolarHBondContact O-N 3.49Å; T220-K224 VanDerWaalsContact O-N 3.11Å
221A98.9Very high98.4Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-60.3-48.6177.200000111.4L204 S208 T210 I212 D217 L218 Q219 K224 R225L204-A221 HydrophobicContact CD2-CB 4.48Å; L204-A221 HydrophobicContact CG-CB 4.23Å; S208-A221 VanDerWaalsContact OG-CB 3.29Å; S208-A221 WeakPolarHBondContact OG-CB 3.35Å; T210-A221 HydrophobicContact CG2-CB 4.24Å; I212-A221 HydrophobicContact CD1-CB 3.67Å; I212-A221 HydrophobicContact CG1-CB 4.05Å; D217-A221 WeakPolarHBondContact O-CB 3.32Å; D217-A221 PolarHBondContact O-N 3.04Å; L218-A221 PolarHBondContact O-N 2.81Å; Q219-A221 PolarHBondContact O-N 2.89Å; A221-K224 PolarHBondContact O-N 3.24Å; A221-R225 WeakPolarHBondContact O-CG 3.31Å; A221-R225 PolarHBondContact O-N 3.04Å; A221-R225 VanDerWaalsContact O-N 3.15Å
222L98.9Very high98.3Very high1 Ų144.6 Ų44.61%0.00523%0.23CC..Hα-helixtrans-64.1-40.9178.4-68.6173.7000111.9W184 A189 L204 L218 Q219 K224 R225 L226 V279 F282 L283W184-L222 HydrophobicContact CH2-CD2 4.43Å; W184-L222 HydrophobicContact CZ2-CD2 4.04Å; A189-L222 HydrophobicContact CB-CD2 3.98Å; L204-L222 HydrophobicContact CD1-CD2 4.46Å; L204-L222 HydrophobicContact CD2-CD2 3.91Å; L204-L222 HydrophobicContact CD2-CG 4.4Å; L218-L222 HydrophobicContact CD1-CD1 3.92Å; L218-L222 HydrophobicContact CD1-CG 3.95Å; L218-L222 HydrophobicContact CG-CD1 3.97Å; L218-L222 HydrophobicContact CG-CG 4.4Å; L218-L222 WeakPolarHBondContact O-CB 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.31Å; Q219-L222 PolarHBondContact O-N 2.68Å; L222-K224 PolarHBondContact O-N 3.39Å; L222-R225 CarbonylContact O-C 3.55Å; L222-R225 PolarHBondContact O-N 3.38Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.44Å; L222-L226 PolarHBondContact O-N 3.03Å; L222-V279 HydrophobicContact CD1-CG1 4.22Å; L222-F282 HydrophobicContact CB-CE1 4.02Å; L222-F282 HydrophobicContact CD1-CE1 4.28Å; L222-L283 HydrophobicContact CD1-CD2 4.41Å
223T98.9Very high98.1Very high38 Ų3845.2 Ų45.223%0.23324%0.239CC..Hα-helixtrans-57.5-48.5175-62.30000111.5Q219 T220 R225 L226 D227 F282Q219-T223 WeakPolarHBondContact O-CB 3.31Å; Q219-T223 PolarHBondContact O-N 2.68Å; Q219-T223 PolarHBondContact O-OG1 2.86Å; T220-T223 PolarHBondContact O-N 3.39Å; T223-R225 VanDerWaalsContact C-N 3.25Å; T223-R225 PolarHBondContact O-N 3.07Å; T223-L226 WeakPolarHBondContact O-CB 3.3Å; T223-L226 PolarHBondContact O-N 3.47Å; T223-D227 VanDerWaalsContact O-CG 3.24Å; T223-D227 PolarHBondContact O-N 3.36Å; T223-F282 WeakPolarHBondContact OG1-CZ 3.13Å
224K98.8Very high98.1Very high83 Ų8337.4 Ų37.436%0.36121%0.21SC..Hα-helixtrans-59-39177.5-71.7175.2176.5175.40112S208 D209 T210 T220 A221 L222 D227 H228S208-K224 WeakPolarHBondContact O-CD 3.48Å; S208-K224 PolarHBondContact O-NZ 2.93Å; D209-K224 PolarHBondContact O-NZ 3Å; T210-K224 PolarHBondContact OG1-NZ 3.27Å; T220-K224 WeakPolarHBondContact O-CG 3.29Å; T220-K224 PolarHBondContact O-N 3.49Å; T220-K224 VanDerWaalsContact O-N 3.11Å; A221-K224 PolarHBondContact O-N 3.24Å; L222-K224 PolarHBondContact O-N 3.39Å; K224-D227 PolarHBondContact O-N 3.41Å; K224-H228 PolarHBondContact O-N 2.86Å; K224-H228 VanDerWaalsContact O-N 3.07Å
225R98.7Very high97.9Very high22 Ų2237.3 Ų37.38%0.08321%0.213CC..Hα-helixtrans-73.9-35.6178.4-64.3-48.7-60.1166.94.6112P160 D162 W184 L204 V207 A221 L222 T223 D227 H228 F229P160-R225 PolarHBondContact O-NE 2.96Å; P160-R225 PolarHBondContact O-NH2 3.04Å; P160-R225 VanDerWaalsContact O-NH2 3.1Å; D162-R225 PolarHBondContact O-NH2 3.46Å; W184-R225 HydrophobicContact CH2-CB 3.53Å; W184-R225 HydrophobicContact CZ3-CB 3.74Å; W184-R225 WeakPolarHBondContact CZ3-O 2.86Å; L204-R225 HydrophobicContact CD1-CG 3.84Å; V207-R225 PolarHBondContact O-NH1 2.87Å; A221-R225 WeakPolarHBondContact O-CG 3.31Å; A221-R225 PolarHBondContact O-N 3.04Å; A221-R225 VanDerWaalsContact O-N 3.15Å; L222-R225 CarbonylContact O-C 3.55Å; L222-R225 PolarHBondContact O-N 3.38Å; T223-R225 VanDerWaalsContact C-N 3.25Å; T223-R225 PolarHBondContact O-N 3.07Å; R225-D227 VanDerWaalsContact C-N 3.29Å; R225-D227 PolarHBondContact O-N 2.58Å; R225-H228 PolarHBondContact NH2-CD2 3.25Å; R225-H228 VanDerWaalsContact NH2-CD2 3.26Å; R225-H228 WeakPolarHBondContact O-CB 3.34Å; R225-H228 PolarHBondContact O-N 3.5Å; R225-F229 WeakPolarHBondContact O-CD2 3.5Å; R225-F229 PolarHBondContact O-N 3.08Å
226L98.8Very high97.9Very high0 Ų037.7 Ų37.70%022%0.216CC..Hα-helixtrans-59.9-41.5170.3-74.1166.8000111.1W184 L222 T223 H228 F229 A230 L283 E286 Y287 W292W184-L226 HydrophobicContact CD2-CD2 3.65Å; W184-L226 HydrophobicContact CE3-CD2 3.97Å; W184-L226 HydrophobicContact CG-CD2 4.17Å; W184-L226 HydrophobicContact CH2-CD2 4.01Å; W184-L226 HydrophobicContact CH2-CG 3.84Å; W184-L226 HydrophobicContact CZ2-CD2 3.72Å; W184-L226 HydrophobicContact CZ2-CG 3.81Å; W184-L226 HydrophobicContact CZ3-CD2 4.15Å; W184-L226 HydrophobicContact CZ3-CG 4.26Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.44Å; L222-L226 PolarHBondContact O-N 3.03Å; T223-L226 WeakPolarHBondContact O-CB 3.3Å; T223-L226 PolarHBondContact O-N 3.47Å; L226-H228 VanDerWaalsContact C-N 3.34Å; L226-F229 PolarHBondContact O-N 2.83Å; L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.84Å; L226-L283 HydrophobicContact CD1-CD2 4.11Å; L226-E286 HydrophobicContact CD1-CB 3.7Å; L226-E286 HydrophobicContact CD1-CG 3.94Å; L226-Y287 HydrophobicContact CD2-CD1 4.41Å; L226-Y287 HydrophobicContact CD2-CE1 3.79Å; L226-W292 HydrophobicContact CD2-CE3 4.31Å; L226-W292 HydrophobicContact CD2-CH2 3.96Å; L226-W292 HydrophobicContact CD2-CZ3 3.46Å; L226-W292 VanDerWaalsContact CD2-CZ3 3.46Å
227D98.5Very high97.8Very high81 Ų8136.5 Ų36.543%0.43321%0.207SC..Hα-helixtrans-65.6-38.2176.7-63.2-17.1000111.5T223 K224 R225 A230 A231 R290T223-D227 VanDerWaalsContact O-CG 3.24Å; T223-D227 PolarHBondContact O-N 3.36Å; K224-D227 PolarHBondContact O-N 3.41Å; R225-D227 VanDerWaalsContact C-N 3.29Å; R225-D227 PolarHBondContact O-N 2.58Å; D227-A230 PolarHBondContact O-N 3.21Å; D227-A231 PolarHBondContact O-N 3.37Å; D227-R290 IonicContact OD1-CZ 3.73Å; D227-R290 IonicContact OD1-NE 3.14Å; D227-R290 IonicContact OD1-NH2 3.69Å; D227-R290 PolarHBondContact OD1-NH2 3.14Å
228H98.6Very high97.8Very high53 Ų5335.4 Ų35.425%0.24520%0.201CC..Hα-helixtrans-60.4-45.4171.8-17575.4000112S163 K224 R225 L226 A231 H232S163-H228 PolarHBondContact O-NE2 3.09Å; K224-H228 PolarHBondContact O-N 2.86Å; K224-H228 VanDerWaalsContact O-N 3.07Å; R225-H228 PolarHBondContact NH2-CD2 3.25Å; R225-H228 VanDerWaalsContact NH2-CD2 3.26Å; R225-H228 WeakPolarHBondContact O-CB 3.34Å; R225-H228 PolarHBondContact O-N 3.5Å; L226-H228 VanDerWaalsContact C-N 3.34Å; H228-A231 WeakPolarHBondContact O-CB 3.35Å; H228-A231 PolarHBondContact O-N 2.94Å; H228-H232 AromaticContact CE1-CE1 3.28Å; H228-H232 PolarHBondContact CE1-CE1 3.25Å; H228-H232 AromaticContact CE1-ND1 3.89Å; H228-H232 AromaticContact ND1-CE1 3.83Å; H228-H232 AromaticContact NE2-CE1 3.46Å; H228-H232 PolarHBondContact NE2-CE1 2.53Å; H228-H232 AromaticContact NE2-ND1 3.8Å; H228-H232 PolarHBondContact O-N 3.26Å; H228-H232 PolarHBondContact O-ND1 3.2Å
229F98.7Very high97.8Very high0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-65.8-38.9175.9-90.7-115000112.3D158 D159 L164 P182 W184 R225 L226 A231 H232 G233 C234 W292D158-F229 HydrophobicContact CB-CE1 3.88Å; D158-F229 HydrophobicContact CB-CZ 3.96Å; D159-F229 WeakPolarHBondContact O-CZ 3.4Å; L164-F229 HydrophobicContact CD1-CD1 4.06Å; L164-F229 HydrophobicContact CD1-CD2 3.67Å; L164-F229 HydrophobicContact CD1-CE1 4.19Å; L164-F229 HydrophobicContact CD1-CE2 3.8Å; L164-F229 HydrophobicContact CD1-CG 3.81Å; L164-F229 HydrophobicContact CD1-CZ 4.06Å; L164-F229 HydrophobicContact CD2-CE1 4.2Å; L164-F229 HydrophobicContact CD2-CE2 4.34Å; L164-F229 HydrophobicContact CD2-CZ 3.94Å; L164-F229 HydrophobicContact CG-CE2 4.26Å; L164-F229 HydrophobicContact CG-CZ 4.35Å; P182-F229 HydrophobicContact CB-CD1 4Å; P182-F229 HydrophobicContact CB-CE1 3.92Å; P182-F229 HydrophobicContact CG-CD1 4.16Å; W184-F229 HydrophobicContact CB-CD1 4.11Å; W184-F229 HydrophobicContact CB-CE1 4.27Å; W184-F229 HydrophobicContact CE3-CB 4.04Å; W184-F229 AromaticContact CE3-CD1 3.76Å; W184-F229 HydrophobicContact CE3-CD1 3.76Å; W184-F229 AromaticContact CE3-CD2 3.47Å; W184-F229 HydrophobicContact CE3-CD2 3.47Å; W184-F229 VanDerWaalsContact CE3-CD2 3.47Å; W184-F229 AromaticContact CE3-CE1 3.97Å; W184-F229 HydrophobicContact CE3-CE1 3.97Å; W184-F229 AromaticContact CE3-CE2 3.71Å; W184-F229 HydrophobicContact CE3-CE2 3.71Å; W184-F229 AromaticContact CE3-CG 3.49Å; W184-F229 HydrophobicContact CE3-CG 3.49Å; W184-F229 VanDerWaalsContact CE3-CG 3.49Å; W184-F229 AromaticContact CE3-CZ 3.96Å; W184-F229 HydrophobicContact CE3-CZ 3.96Å; W184-F229 HydrophobicContact CZ3-CB 4.48Å; W184-F229 AromaticContact CZ3-CD2 3.53Å; W184-F229 HydrophobicContact CZ3-CD2 3.53Å; W184-F229 AromaticContact CZ3-CE2 3.79Å; W184-F229 HydrophobicContact CZ3-CE2 3.79Å; W184-F229 AromaticContact CZ3-CG 4Å; W184-F229 HydrophobicContact CZ3-CG 4Å; W184-F229 HydrophobicContact CZ3-CZ 4.44Å; R225-F229 WeakPolarHBondContact O-CD2 3.5Å; R225-F229 PolarHBondContact O-N 3.08Å; L226-F229 PolarHBondContact O-N 2.83Å; F229-A231 VanDerWaalsContact C-N 3.28Å; F229-A231 PolarHBondContact O-N 3.3Å; F229-H232 CarbonylContact O-C 3.56Å; F229-H232 WeakPolarHBondContact O-CA 3.36Å; F229-H232 PolarHBondContact O-N 2.72Å; F229-G233 PolarHBondContact O-N 2.81Å; F229-C234 HydrophobicContact CB-CB 3.78Å; F229-C234 HydrophobicContact CD1-CB 4.14Å; F229-C234 HydrophobicContact CG-CB 4.48Å; F229-C234 WeakPolarHBondContact O-CB 3.39Å; F229-C234 PolarHBondContact O-N 3.31Å; F229-W292 HydrophobicContact CB-CH2 3.77Å
230A97.4Very high97.7Very high43 Ų4332.9 Ų32.936%0.35519%0.189SC..Hα-helixtrans-60.1-40.1174.200000111.5L226 D227 H232 G233 W292L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.84Å; D227-A230 PolarHBondContact O-N 3.21Å; A230-H232 PolarHBondContact O-N 2.74Å; A230-G233 PolarHBondContact O-N 2.94Å; A230-W292 HydrophobicContact CB-CZ2 3.83Å
231A95.8Very high97.6Very high83 Ų8330.1 Ų30.169%0.68617%0.172SC*.Hα-helixtrans-64.2-24.717500000113.2D227 H228 F229 G233D227-A231 PolarHBondContact O-N 3.37Å; H228-A231 WeakPolarHBondContact O-CB 3.35Å; H228-A231 PolarHBondContact O-N 2.94Å; F229-A231 VanDerWaalsContact C-N 3.28Å; F229-A231 PolarHBondContact O-N 3.3Å; A231-G233 VanDerWaalsContact C-N 3.35Å
232H96.8Very high97.5Very high48 Ų4832.5 Ų32.522%0.22219%0.185CC..THydrogen-bonded Turntrans-94.613.2173.9-66.477.4000113.1L164 P182 H228 F229 A230L164-H232 HydrophobicContact CD1-CB 3.84Å; P182-H232 WeakPolarHBondContact CD-O 3.49Å; P182-H232 HydrophobicContact CG-CB 4.08Å; H228-H232 AromaticContact CE1-CE1 3.28Å; H228-H232 PolarHBondContact CE1-CE1 3.25Å; H228-H232 AromaticContact CE1-ND1 3.89Å; H228-H232 AromaticContact ND1-CE1 3.83Å; H228-H232 AromaticContact NE2-CE1 3.46Å; H228-H232 PolarHBondContact NE2-CE1 2.53Å; H228-H232 AromaticContact NE2-ND1 3.8Å; H228-H232 PolarHBondContact O-N 3.26Å; H228-H232 PolarHBondContact O-ND1 3.2Å; F229-H232 CarbonylContact O-C 3.56Å; F229-H232 WeakPolarHBondContact O-CA 3.36Å; F229-H232 PolarHBondContact O-N 2.72Å; A230-H232 PolarHBondContact O-N 2.74Å
233G94.2Very high97.4Very high25 Ų2534.1 Ų34.126%0.25820%0.195SC..THydrogen-bonded Turntrans81.112.8173.400000115.2F229 A230 A231 K235F229-G233 PolarHBondContact O-N 2.81Å; A230-G233 PolarHBondContact O-N 2.94Å; A231-G233 VanDerWaalsContact C-N 3.35Å; G233-K235 PolarHBondContact O-N 3.46Å
234C97.6Very high97.4Very high1 Ų132.7 Ų32.71%0.00719%0.186CC..  trans-52.5138.5173.2-178.80000111.4P182 F229 V236 W292P182-C234 HydrophobicContact CG-CB 4.24Å; P182-C234 WeakPolarHBondContact O-CB 3.48Å; P182-C234 PolarHBondContact O-SG 3.2Å; F229-C234 HydrophobicContact CB-CB 3.78Å; F229-C234 HydrophobicContact CD1-CB 4.14Å; F229-C234 HydrophobicContact CG-CB 4.48Å; F229-C234 WeakPolarHBondContact O-CB 3.39Å; F229-C234 PolarHBondContact O-N 3.31Å; C234-V236 PolarHBondContact SG-O 3.44Å; C234-W292 HydrophobicContact CB-CH2 3.79Å; C234-W292 HydrophobicContact CB-CZ2 3.67Å; C234-W292 HydrophobicContact CB-CZ3 4.43Å; C234-W292 PolarHBondContact O-NE1 3.29Å; C234-W292 VanDerWaalsContact SG-CH2 3.52Å; C234-W292 VanDerWaalsContact SG-CZ3 3.54Å
235K93.4Very high97.4Very high123 Ų12330.1 Ų30.154%0.53518%0.176SC..  trans-134.2-6.7177.2-62.5-63.6176.2-175.80113.4G233 W292 V293G233-K235 PolarHBondContact O-N 3.46Å; K235-W292 CarbonylContact O-C 3.44Å; K235-W292 WeakPolarHBondContact O-CA 3.22Å; K235-W292 WeakPolarHBondContact O-CB 3.3Å; K235-V293 PolarHBondContact O-N 2.94Å
236V97.2Very high97.4Very high18 Ų1830.6 Ų30.611%0.10918%0.178CC..EExtended strand (participates in β ladder)trans-140.8141.4-169.9-173.30000108.8S183 W184 C234 V293 Q295S183-V236 VanDerWaalsContact CA-O 3.32Å; S183-V236 WeakPolarHBondContact CA-O 3.38Å; W184-V236 PolarHBondContact N-O 3.26Å; C234-V236 PolarHBondContact SG-O 3.44Å; V236-V293 CarbonylContact C-O 3.52Å; V236-V293 WeakPolarHBondContact CA-O 3.22Å; V236-V293 HydrophobicContact CB-CB 4.49Å; V236-V293 HydrophobicContact CG1-CB 4.15Å; V236-V293 HydrophobicContact CG1-CG1 4.44Å; V236-V293 HydrophobicContact CG2-CB 4.17Å; V236-Q295 HydrophobicContact CG1-CG 3.89Å
237S98.5Very high97.3Very high0 Ų031 Ų310%018%0.181CC..EExtended strand (participates in β ladder)trans-112.2155.9167.663.70000110.1W184 H239 Y287 V293 Q294 Q295W184-S237 CarbonylContact O-C 3.59Å; W184-S237 VanDerWaalsContact O-CA 3.23Å; W184-S237 WeakPolarHBondContact O-CA 2.96Å; W184-S237 WeakPolarHBondContact O-CB 3.32Å; S237-H239 PolarHBondContact OG-NE2 3.21Å; S237-Y287 VanDerWaalsContact CB-CZ 3.47Å; S237-Y287 WeakPolarHBondContact OG-CE2 3.38Å; S237-V293 PolarHBondContact N-O 3.03Å; S237-V293 PolarHBondContact OG-O 3.18Å; S237-Q294 WeakPolarHBondContact OG-CA 3.42Å; S237-Q295 VanDerWaalsContact O-CB 3.26Å; S237-Q295 WeakPolarHBondContact O-CB 3.43Å; S237-Q295 WeakPolarHBondContact O-CG 3.48Å; S237-Q295 PolarHBondContact O-N 2.89Å
238D97.6Very high97.3Very high0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-140.2129.6-179173.249000110.2H33 W184 R185 H297H33-D238 IonicContact CE1-OD1 3.65Å; H33-D238 IonicContact CE1-OD2 3.77Å; H33-D238 PolarHBondContact CE1-OD2 2.72Å; H33-D238 IonicContact ND1-OD2 3.8Å; H33-D238 IonicContact NE2-OD2 2.82Å; W184-D238 PolarHBondContact O-N 3.39Å; R185-D238 VanDerWaalsContact CA-O 3.24Å; R185-D238 WeakPolarHBondContact CA-O 3.27Å; R185-D238 WeakPolarHBondContact CD-OD2 3.37Å; R185-D238 WeakPolarHBondContact CG-O 3.44Å; R185-D238 IonicContact CZ-OD2 2.75Å; R185-D238 IonicContact NE-OD2 3.48Å; R185-D238 IonicContact NH1-OD2 3.61Å; R185-D238 PolarHBondContact NH1-OD2 3.2Å; D238-H297 IonicContact OD1-CE1 2.67Å; D238-H297 PolarHBondContact OD1-CE1 3.37Å; D238-H297 IonicContact OD1-CG 2.82Å; D238-H297 IonicContact OD1-ND1 2.66Å; D238-H297 PolarHBondContact OD1-ND1 3.33Å
239H98.4Very high97.3Very high0 Ų031.6 Ų31.60%019%0.187CC..EExtended strand (participates in β ladder)trans-135.6131.4-176.8-48.6-141.6000109.6P186 D187 F190 S237 L241 L280 Y287 Q295 Y296 H297P186-H239 VanDerWaalsContact CG-CE1 3.41Å; P186-H239 WeakPolarHBondContact CG-CE1 3.36Å; D187-H239 VanDerWaalsContact OD1-CA 3.3Å; D187-H239 WeakPolarHBondContact OD1-CA 3.37Å; F190-H239 HydrophobicContact CE1-CB 4.12Å; F190-H239 AromaticContact CE1-ND1 3.63Å; F190-H239 HydrophobicContact CZ-CB 4.22Å; S237-H239 PolarHBondContact OG-NE2 3.21Å; H239-L241 HydrophobicContact CB-CD2 4.45Å; H239-L280 WeakPolarHBondContact ND1-CD2 3.45Å; H239-Y287 AromaticContact CE1-CE2 3.9Å; H239-Y287 PolarHBondContact CE1-OH 3.4Å; H239-Y287 AromaticContact NE2-CE2 3.49Å; H239-Y287 WeakPolarHBondContact NE2-CE2 3.43Å; H239-Y287 AromaticContact NE2-CZ 3.62Å; H239-Y287 PolarHBondContact NE2-OH 2.98Å; H239-Q295 PolarHBondContact N-O 3.47Å; H239-Y296 HydrophobicContact CB-CD1 3.8Å; H239-Y296 HydrophobicContact CB-CE1 3.97Å; H239-Y296 AromaticContact CG-CE1 3.78Å; H239-Y296 AromaticContact ND1-CE1 3.97Å; H239-H297 PolarHBondContact O-N 2.89Å
240A97.1Very high97.3Very high4 Ų435.6 Ų35.63%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-88.8119.7167.500000111.1D187 H297D187-A240 PolarHBondContact OD1-N 3.5Å; D187-A240 WeakPolarHBondContact OD2-CB 3.41Å; D187-A240 PolarHBondContact OD2-N 3.17Å; A240-H297 WeakPolarHBondContact CA-O 3.48Å
241L97.8Very high97.3Very high9 Ų939 Ų395%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-109.382.3174-53.1-176.1000108.6F190 H239 V243 V244 L280 Y296 H297 I298 G299F190-L241 HydrophobicContact CE2-CD2 4.02Å; F190-L241 HydrophobicContact CZ-CD2 3.9Å; H239-L241 HydrophobicContact CB-CD2 4.45Å; L241-V243 PolarHBondContact O-N 3.31Å; L241-V243 VanDerWaalsContact O-N 3.15Å; L241-V244 HydrophobicContact CB-CG2 4.38Å; L241-V244 HydrophobicContact CD1-CG2 4.4Å; L241-L280 HydrophobicContact CD2-CD1 4.05Å; L241-Y296 HydrophobicContact CD1-CD1 3.93Å; L241-Y296 HydrophobicContact CD1-CD2 4Å; L241-Y296 HydrophobicContact CD1-CE1 4.32Å; L241-Y296 HydrophobicContact CD1-CE2 4.39Å; L241-Y296 HydrophobicContact CD1-CG 3.75Å; L241-Y296 HydrophobicContact CG-CD1 4.33Å; L241-Y296 HydrophobicContact CG-CG 4.47Å; L241-H297 PolarHBondContact N-O 3.41Å; L241-I298 HydrophobicContact CB-CG1 4.27Å; L241-I298 HydrophobicContact CD1-CG1 4.47Å; L241-I298 VanDerWaalsContact O-CA 3.31Å; L241-I298 WeakPolarHBondContact O-CA 3.46Å; L241-G299 PolarHBondContact O-N 3.12Å
242D96.1Very high97.4Very high51 Ų5138.4 Ų38.427%0.27321%0.212SC..SBendtrans-54-35.8177.5-71.3-1.6000111.6G299 A300 R302 N322D242-G299 WeakPolarHBondContact O-CA 3.32Å; D242-A300 WeakPolarHBondContact CB-O 3.38Å; D242-R302 VanDerWaalsContact CG-NE 3.28Å; D242-R302 IonicContact OD1-CZ 3.39Å; D242-R302 VanDerWaalsContact OD1-CZ 3.3Å; D242-R302 IonicContact OD1-NE 2.78Å; D242-R302 PolarHBondContact OD1-NE 3.09Å; D242-R302 IonicContact OD1-NH2 3.89Å; D242-R302 PolarHBondContact OD1-NH2 3.44Å; D242-R302 WeakPolarHBondContact OD2-CD 3.43Å; D242-R302 IonicContact OD2-NE 2.74Å; D242-R302 PolarHBondContact OD2-NE 3.32Å; D242-N322 PolarHBondContact O-ND2 2.85Å
243V96.9Very high97.5Very high35 Ų3540.1 Ų40.121%0.21222%0.22CC..SBendtrans-138.2128.9167.9173.50000108.3L241 M245 N322 R324L241-V243 PolarHBondContact O-N 3.31Å; L241-V243 VanDerWaalsContact O-N 3.15Å; V243-M245 HydrophobicContact CB-CE 4.43Å; V243-M245 HydrophobicContact CG1-CE 4.12Å; V243-M245 HydrophobicContact CG1-CG 4.03Å; V243-N322 WeakPolarHBondContact CG2-ND2 3.49Å; V243-R324 VanDerWaalsContact CG1-CD 3.48Å; V243-R324 HydrophobicContact CG1-CG 4.23Å; V243-R324 HydrophobicContact CG2-CB 4.45Å
244V98.1Very high97.7Very high7 Ų739.3 Ų39.34%0.04221%0.21CC..  trans-75.3128.4170.2-169.90000109.1L241 I298 M326 E329 L330L241-V244 HydrophobicContact CB-CG2 4.38Å; L241-V244 HydrophobicContact CD1-CG2 4.4Å; V244-I298 HydrophobicContact CG2-CD1 4.12Å; V244-I298 HydrophobicContact CG2-CG1 4.35Å; V244-I298 HydrophobicContact CG2-CG2 3.42Å; V244-I298 VanDerWaalsContact CG2-CG2 3.42Å; V244-M326 HydrophobicContact CB-CB 4.28Å; V244-M326 HydrophobicContact CG2-CB 3.87Å; V244-E329 HydrophobicContact CB-CB 4.41Å; V244-E329 HydrophobicContact CG1-CB 3.99Å; V244-L330 HydrophobicContact CG1-CB 4.06Å; V244-L330 HydrophobicContact CG1-CD1 4.49Å
245M98.3Very high97.8Very high30 Ų3041.1 Ų41.115%0.14822%0.22CC..  trans-129.4143.8-179.9-63.4-179.916500109V243 E269 V272 A273 K276V243-M245 HydrophobicContact CB-CE 4.43Å; V243-M245 HydrophobicContact CG1-CE 4.12Å; V243-M245 HydrophobicContact CG1-CG 4.03Å; M245-E269 HydrophobicContact CE-CG 4.03Å; M245-V272 HydrophobicContact SD-CG1 4.19Å; M245-A273 HydrophobicContact CB-CB 3.8Å; M245-A273 HydrophobicContact SD-CB 4.36Å; M245-K276 HydrophobicContact SD-CD 4.24Å
246F98.7Very high98Very high32 Ų3238 Ų3814%0.1421%0.214CC..  trans-137.1126.7172.6-179.7-87.9000111.2E248 T277 E329 K332 L333 K336F246-E248 HydrophobicContact CE1-CG 4.02Å; F246-E248 HydrophobicContact CZ-CG 3.73Å; F246-T277 WeakPolarHBondContact CA-OG1 3.2Å; F246-T277 HydrophobicContact CD2-CG2 3.58Å; F246-T277 HydrophobicContact CE2-CG2 3.69Å; F246-T277 HydrophobicContact CG-CG2 4.38Å; F246-E329 VanDerWaalsContact CA-OE2 3.3Å; F246-E329 WeakPolarHBondContact CA-OE2 3.41Å; F246-E329 HydrophobicContact CB-CB 4.12Å; F246-E329 WeakPolarHBondContact CB-OE2 3.48Å; F246-E329 PolarHBondContact N-OE2 3.12Å; F246-K332 HydrophobicContact CB-CB 4.07Å; F246-K332 HydrophobicContact CB-CD 4.4Å; F246-K332 HydrophobicContact CD1-CB 3.51Å; F246-K332 HydrophobicContact CD1-CD 3.47Å; F246-K332 VanDerWaalsContact CD1-CD 3.47Å; F246-K332 HydrophobicContact CD1-CG 4.07Å; F246-K332 HydrophobicContact CD2-CB 3.65Å; F246-K332 HydrophobicContact CE1-CB 3.73Å; F246-K332 HydrophobicContact CE1-CD 3.94Å; F246-K332 HydrophobicContact CE1-CG 4.26Å; F246-K332 HydrophobicContact CE2-CB 3.86Å; F246-K332 WeakPolarHBondContact CE2-O 3.28Å; F246-K332 HydrophobicContact CG-CB 3.45Å; F246-K332 VanDerWaalsContact CG-CB 3.45Å; F246-K332 HydrophobicContact CG-CD 4.08Å; F246-K332 HydrophobicContact CG-CG 4.42Å; F246-K332 HydrophobicContact CZ-CB 3.89Å; F246-L333 HydrophobicContact CD2-CB 4.18Å; F246-K336 HydrophobicContact CE2-CB 3.9Å; F246-K336 HydrophobicContact CE2-CG 4.38Å; F246-K336 HydrophobicContact CZ-CB 4.41Å
247A98.7Very high98.1Very high7 Ų737.3 Ų37.36%0.05821%0.209CC..  trans-154.7139.4164.600000109.5A273 Q274 T277A247-A273 HydrophobicContact CB-CB 3.85Å; A247-Q274 HydrophobicContact CB-CB 4.37Å; A247-Q274 HydrophobicContact CB-CG 3.55Å; A247-Q274 WeakPolarHBondContact O-CA 3.47Å; A247-T277 PolarHBondContact N-OG1 2.94Å; A247-T277 WeakPolarHBondContact O-CB 3.37Å; A247-T277 WeakPolarHBondContact O-CG2 3.07Å; A247-T277 PolarHBondContact O-OG1 3.48Å
248E98.4Very high98.1Very high116 Ų11637.3 Ų37.354%0.54221%0.209SC..  trans-85.9149.9175.8-67.8-175.2-94.600111F246 Q274 K336F246-E248 HydrophobicContact CE1-CG 4.02Å; F246-E248 HydrophobicContact CZ-CG 3.73Å; E248-Q274 PolarHBondContact O-NE2 3.37Å; E248-K336 WeakPolarHBondContact OE2-CE 3.32Å; E248-K336 IonicContact OE2-NZ 2.72Å; E248-K336 PolarHBondContact OE2-NZ 3.36Å; E248-K336 VanDerWaalsContact OE2-NZ 3.09Å
249A98.4Very high98.1Very high31 Ų3139.7 Ų39.726%0.25623%0.229SC..  trans-148.5149.6174.900000109.7E253 L254 Q274A249-E253 WeakPolarHBondContact CA-OE2 3.15Å; A249-E253 HydrophobicContact CB-CB 4.12Å; A249-L254 HydrophobicContact CB-CD2 3.87Å; A249-L254 HydrophobicContact CB-CG 3.85Å; A249-Q274 HydrophobicContact CB-CB 3.85Å; A249-Q274 HydrophobicContact CB-CG 3.97Å
250N98.2Very high98.1Very high85 Ų8542.7 Ų42.746%0.45524%0.24SC..  trans-84.6169167.368.561.7000111.3A252 E253 L254N250-A252 VanDerWaalsContact C-N 3.31Å; N250-A252 PolarHBondContact O-N 2.72Å; N250-A252 WeakPolarHBondContact OD1-CB 3.38Å; N250-A252 PolarHBondContact OD1-N 2.86Å; N250-E253 PolarHBondContact N-OE2 3.29Å; N250-E253 VanDerWaalsContact ND2-CD 3.26Å; N250-E253 PolarHBondContact ND2-OE2 2.72Å; N250-E253 PolarHBondContact O-N 2.86Å; N250-E253 PolarHBondContact OD1-N 3.2Å; N250-L254 WeakPolarHBondContact O-CG 3.24Å; N250-L254 PolarHBondContact O-N 2.89Å
251E97Very high98.2Very high113 Ų11343.8 Ų43.853%0.52824%0.243SC..Hα-helixtrans-58.8-38.3-177.2-169.7176.5-179.700113.1E253 L254 D255E251-E253 PolarHBondContact O-N 3.19Å; E251-L254 PolarHBondContact O-N 3.05Å; E251-D255 WeakPolarHBondContact O-CB 3.11Å; E251-D255 PolarHBondContact O-N 3.31Å
252A98.4Very high98.2Very high72 Ų7246 Ų4660%0.59526%0.255SS*.Hα-helixtrans-69-35.7179.700000112.5N250 S256N250-A252 VanDerWaalsContact C-N 3.31Å; N250-A252 PolarHBondContact O-N 2.72Å; N250-A252 WeakPolarHBondContact OD1-CB 3.38Å; N250-A252 PolarHBondContact OD1-N 2.86Å; A252-S256 WeakPolarHBondContact O-CB 3.44Å; A252-S256 PolarHBondContact O-N 3.13Å; A252-S256 VanDerWaalsContact O-N 3.07Å
253E98.7Very high98.2Very high83 Ų8347.2 Ų47.239%0.38827%0.272SS..Hα-helixtrans-65.3-45.8172.7-70.4170.3143.300110.8A249 N250 E251 D255 S256 I257A249-E253 WeakPolarHBondContact CA-OE2 3.15Å; A249-E253 HydrophobicContact CB-CB 4.12Å; N250-E253 PolarHBondContact N-OE2 3.29Å; N250-E253 VanDerWaalsContact ND2-CD 3.26Å; N250-E253 PolarHBondContact ND2-OE2 2.72Å; N250-E253 PolarHBondContact O-N 2.86Å; N250-E253 PolarHBondContact OD1-N 3.2Å; E251-E253 PolarHBondContact O-N 3.19Å; E253-D255 PolarHBondContact O-N 3.09Å; E253-S256 WeakPolarHBondContact O-CB 3.18Å; E253-S256 PolarHBondContact O-N 3.44Å; E253-I257 VanDerWaalsContact O-CG1 3.25Å; E253-I257 WeakPolarHBondContact O-CG1 3.49Å; E253-I257 PolarHBondContact O-N 3.05Å
254L98.8Very high98.2Very high8 Ų847.9 Ų47.94%0.04229%0.287CS..Hα-helixtrans-62.6-43178.1-67.6169.6000112.2F215 A249 N250 E251 S256 I257 L258 F275 A278F215-L254 HydrophobicContact CB-CB 3.88Å; F215-L254 HydrophobicContact CD1-CD1 3.79Å; F215-L254 HydrophobicContact CD2-CB 4.13Å; F215-L254 HydrophobicContact CD2-CD1 4.2Å; F215-L254 HydrophobicContact CE1-CD1 3.96Å; F215-L254 HydrophobicContact CE2-CD1 4.35Å; F215-L254 HydrophobicContact CG-CB 3.95Å; F215-L254 HydrophobicContact CG-CD1 3.92Å; F215-L254 HydrophobicContact CG-CG 4.48Å; F215-L254 HydrophobicContact CZ-CD1 4.25Å; A249-L254 HydrophobicContact CB-CD2 3.87Å; A249-L254 HydrophobicContact CB-CG 3.85Å; N250-L254 WeakPolarHBondContact O-CG 3.24Å; N250-L254 PolarHBondContact O-N 2.89Å; E251-L254 PolarHBondContact O-N 3.05Å; L254-S256 VanDerWaalsContact C-N 3.33Å; L254-S256 PolarHBondContact O-N 2.92Å; L254-I257 PolarHBondContact O-N 3.27Å; L254-L258 WeakPolarHBondContact O-CB 3.47Å; L254-L258 PolarHBondContact O-N 3.06Å; L254-F275 HydrophobicContact CD2-CD2 4.45Å; L254-A278 HydrophobicContact CD1-CB 3.55Å; L254-A278 HydrophobicContact CD2-CB 3.65Å; L254-A278 HydrophobicContact CG-CB 4.27Å
255D98.8Very high98.2Very high39 Ų3952 Ų5221%0.20931%0.305CS..Hα-helixtrans-60.6-42.6174.6-79.8-0.4000111.6R214 F215 E251 E253 A259R214-D255 WeakPolarHBondContact CA-OD1 3.46Å; R214-D255 VanDerWaalsContact CB-OD1 3.27Å; R214-D255 WeakPolarHBondContact CB-OD1 3.39Å; F215-D255 PolarHBondContact N-OD1 2.82Å; E251-D255 WeakPolarHBondContact O-CB 3.11Å; E251-D255 PolarHBondContact O-N 3.31Å; E253-D255 PolarHBondContact O-N 3.09Å; D255-A259 VanDerWaalsContact O-CB 3.23Å; D255-A259 WeakPolarHBondContact O-CB 3.49Å; D255-A259 PolarHBondContact O-N 2.95Å
256S98.6Very high98.1Very high59 Ų5957.1 Ų57.141%0.41334%0.339SS..Hα-helixtrans-65.2-43.2176.5-177.80000112.5A252 E253 L254 R260A252-S256 WeakPolarHBondContact O-CB 3.44Å; A252-S256 PolarHBondContact O-N 3.13Å; A252-S256 VanDerWaalsContact O-N 3.07Å; E253-S256 WeakPolarHBondContact O-CB 3.18Å; E253-S256 PolarHBondContact O-N 3.44Å; L254-S256 VanDerWaalsContact C-N 3.33Å; L254-S256 PolarHBondContact O-N 2.92Å; S256-R260 WeakPolarHBondContact O-CB 3.39Å; S256-R260 WeakPolarHBondContact O-CG 3.4Å; S256-R260 PolarHBondContact O-N 2.67Å; S256-R260 PolarHBondContact O-NE 3.38Å
257I98.8Very high98Very high3 Ų356.7 Ų56.72%0.01534%0.337CS..Hα-helixtrans-61.5-48.9177.3-70.8165000110.2I192 E253 L254 R260 R261 L267 E271 Q274 F275I192-I257 HydrophobicContact CD1-CG2 3.89Å; E253-I257 VanDerWaalsContact O-CG1 3.25Å; E253-I257 WeakPolarHBondContact O-CG1 3.49Å; E253-I257 PolarHBondContact O-N 3.05Å; L254-I257 PolarHBondContact O-N 3.27Å; I257-R260 PolarHBondContact O-N 3.23Å; I257-R261 PolarHBondContact O-N 2.65Å; I257-L267 HydrophobicContact CG2-CD1 3.62Å; I257-L267 HydrophobicContact CG2-CD2 4.12Å; I257-E271 HydrophobicContact CD1-CB 3.97Å; I257-E271 HydrophobicContact CD1-CG 4.13Å; I257-E271 HydrophobicContact CG1-CB 4.04Å; I257-E271 HydrophobicContact CG1-CG 4.09Å; I257-E271 HydrophobicContact CG2-CB 4.43Å; I257-Q274 HydrophobicContact CD1-CB 4.04Å; I257-F275 HydrophobicContact CG2-CB 4.23Å; I257-F275 HydrophobicContact CG2-CD2 4.44Å
258L98.7Very high98Very high0 Ų059 Ų590%035%0.354CS..Hα-helixtrans-62.8-48179.7-178.760.2000111.4F197 I212 L254 R260 R261 L262 F275F197-L258 HydrophobicContact CE1-CD1 3.89Å; F197-L258 HydrophobicContact CZ-CD1 4.05Å; I212-L258 HydrophobicContact CG2-CD2 4.24Å; L254-L258 WeakPolarHBondContact O-CB 3.47Å; L254-L258 PolarHBondContact O-N 3.06Å; L258-R260 PolarHBondContact O-N 2.88Å; L258-R261 PolarHBondContact O-N 3.34Å; L258-L262 HydrophobicContact CD1-CD1 4.12Å; L258-L262 HydrophobicContact CD1-CG 4.13Å; L258-L262 HydrophobicContact CG-CD1 3.99Å; L258-L262 HydrophobicContact CG-CG 4.4Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 VanDerWaalsContact O-CG 3.32Å; L258-L262 WeakPolarHBondContact O-CG 3.43Å; L258-L262 PolarHBondContact O-N 2.83Å; L258-F275 HydrophobicContact CB-CE2 4.31Å; L258-F275 HydrophobicContact CD1-CE2 4.13Å; L258-F275 HydrophobicContact CD1-CZ 4.3Å
259A98.3Very high98Very high50 Ų5058.6 Ų58.641%0.41335%0.352SS..Hα-helixtrans-60.1-43.8-18000000112.3D255 L262 A263D255-A259 VanDerWaalsContact O-CB 3.23Å; D255-A259 WeakPolarHBondContact O-CB 3.49Å; D255-A259 PolarHBondContact O-N 2.95Å; A259-L262 PolarHBondContact O-N 3.05Å; A259-A263 WeakPolarHBondContact O-CB 3.28Å; A259-A263 PolarHBondContact O-N 2.84Å
260R98.3Very high98Very high62 Ų6262.6 Ų62.623%0.23437%0.365CS..Hα-helixtrans-64.5-42.4176.4-76-173.8-65141.1-2.1111.9S256 I257 L258 L262 A263 G264 E265 E271S256-R260 WeakPolarHBondContact O-CB 3.39Å; S256-R260 WeakPolarHBondContact O-CG 3.4Å; S256-R260 PolarHBondContact O-N 2.67Å; S256-R260 PolarHBondContact O-NE 3.38Å; I257-R260 PolarHBondContact O-N 3.23Å; L258-R260 PolarHBondContact O-N 2.88Å; R260-L262 PolarHBondContact O-N 3.29Å; R260-A263 CarbonylContact O-C 3.6Å; R260-A263 WeakPolarHBondContact O-CB 3.42Å; R260-A263 PolarHBondContact O-N 2.94Å; R260-G264 PolarHBondContact O-N 2.85Å; R260-E265 HydrophobicContact CB-CB 4.16Å; R260-E265 HydrophobicContact CB-CG 4.37Å; R260-E265 VanDerWaalsContact CD-OE2 3.3Å; R260-E265 WeakPolarHBondContact CD-OE2 3.18Å; R260-E265 WeakPolarHBondContact O-CB 3.41Å; R260-E265 PolarHBondContact O-N 3.1Å; R260-E271 IonicContact CZ-OE1 3.98Å; R260-E271 IonicContact NH1-OE1 3.24Å; R260-E271 PolarHBondContact NH1-OE1 3.45Å; R260-E271 IonicContact NH1-OE2 2.74Å; R260-E271 IonicContact NH2-OE1 2.84Å; R260-E271 PolarHBondContact NH2-OE1 3.42Å
261R98Very high98Very high27 Ų2760.3 Ų60.310%0.10235%0.351CS..Hα-helixtrans-62.1-44.8176-178.667-172.492.50.6112I192 Q194 F197 N198 I257 L258 A263 G264 L267I192-R261 HydrophobicContact CD1-CB 3.95Å; I192-R261 HydrophobicContact CD1-CG 4.12Å; I192-R261 HydrophobicContact CG1-CB 4Å; I192-R261 HydrophobicContact CG1-CG 3.59Å; I192-R261 VanDerWaalsContact O-CD 3.31Å; I192-R261 WeakPolarHBondContact O-CD 3.44Å; I192-R261 PolarHBondContact O-NE 3.25Å; Q194-R261 PolarHBondContact O-NH2 3.27Å; F197-R261 HydrophobicContact CD1-CG 3.67Å; F197-R261 HydrophobicContact CE1-CG 4.02Å; N198-R261 PolarHBondContact ND2-O 2.91Å; N198-R261 PolarHBondContact OD1-NH1 3.36Å; N198-R261 PolarHBondContact OD1-O 2.99Å; I257-R261 PolarHBondContact O-N 2.65Å; L258-R261 PolarHBondContact O-N 3.34Å; R261-A263 PolarHBondContact O-N 3.5Å; R261-G264 WeakPolarHBondContact O-CA 3.46Å; R261-G264 PolarHBondContact O-N 3.42Å; R261-L267 HydrophobicContact CB-CD1 4.08Å; R261-L267 HydrophobicContact CB-CG 4.42Å; R261-L267 HydrophobicContact CG-CD1 4.49Å
262L97.8Very high98.1Very high55 Ų5555.4 Ų55.429%0.28833%0.329SS..Hα-helixtrans-62.7-31.5176.8-70176.7000112N198 M201 L258 A259 R260 G264N198-L262 WeakPolarHBondContact ND2-CA 3.36Å; N198-L262 PolarHBondContact ND2-O 2.94Å; N198-L262 VanDerWaalsContact ND2-O 3.11Å; M201-L262 HydrophobicContact CB-CD2 4.09Å; M201-L262 HydrophobicContact CG-CD2 4.22Å; L258-L262 HydrophobicContact CD1-CD1 4.12Å; L258-L262 HydrophobicContact CD1-CG 4.13Å; L258-L262 HydrophobicContact CG-CD1 3.99Å; L258-L262 HydrophobicContact CG-CG 4.4Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 VanDerWaalsContact O-CG 3.32Å; L258-L262 WeakPolarHBondContact O-CG 3.43Å; L258-L262 PolarHBondContact O-N 2.83Å; A259-L262 PolarHBondContact O-N 3.05Å; R260-L262 PolarHBondContact O-N 3.29Å; L262-G264 PolarHBondContact O-N 2.77Å
263A97.3Very high98.1Very high77 Ų7752.4 Ų52.464%0.63630%0.304SS*.THydrogen-bonded Turntrans-73.9-4.217100000114.3A259 R260 R261A259-A263 WeakPolarHBondContact O-CB 3.28Å; A259-A263 PolarHBondContact O-N 2.84Å; R260-A263 CarbonylContact O-C 3.6Å; R260-A263 WeakPolarHBondContact O-CB 3.42Å; R260-A263 PolarHBondContact O-N 2.94Å; R261-A263 PolarHBondContact O-N 3.5Å
264G95.8Very high98.1Very high50 Ų5049.1 Ų49.152%0.51529%0.289SS..THydrogen-bonded Turntrans93.28.8176.700000114.7R260 R261 L262R260-G264 PolarHBondContact O-N 2.85Å; R261-G264 WeakPolarHBondContact O-CA 3.46Å; R261-G264 PolarHBondContact O-N 3.42Å; L262-G264 PolarHBondContact O-N 2.77Å
265E97.8Very high98.1Very high93 Ų9348.8 Ų48.844%0.43529%0.287SS..PPolyproline II helixtrans-71.9150.5177.2-62-177.8-146.800112R260R260-E265 HydrophobicContact CB-CB 4.16Å; R260-E265 HydrophobicContact CB-CG 4.37Å; R260-E265 VanDerWaalsContact CD-OE2 3.3Å; R260-E265 WeakPolarHBondContact CD-OE2 3.18Å; R260-E265 WeakPolarHBondContact O-CB 3.41Å; R260-E265 PolarHBondContact O-N 3.1Å
266T95.8Very high98.1Very high138 Ų13847.9 Ų47.985%0.84728%0.281SS*.PPolyproline II helixtrans-86.7128.8171.6-56.80000109.3
267L98.2Very high98.1Very high22 Ų2245.3 Ų45.312%0.11526%0.263CS..PPolyproline II helixtrans-89152.5178.8-58.2176.4000111.2I192 I257 R261 E271 V272I192-L267 HydrophobicContact CB-CD1 4.48Å; I192-L267 HydrophobicContact CD1-CD1 3.58Å; I192-L267 HydrophobicContact CG1-CD1 3.73Å; I192-L267 HydrophobicContact CG2-CD1 3.95Å; I257-L267 HydrophobicContact CG2-CD1 3.62Å; I257-L267 HydrophobicContact CG2-CD2 4.12Å; R261-L267 HydrophobicContact CB-CD1 4.08Å; R261-L267 HydrophobicContact CB-CG 4.42Å; R261-L267 HydrophobicContact CG-CD1 4.49Å; L267-E271 HydrophobicContact CB-CB 4.21Å; L267-V272 HydrophobicContact CB-CG2 3.98Å; L267-V272 HydrophobicContact CD1-CG2 4.5Å
268S98.2Very high98.1Very high57 Ų5746.1 Ų46.140%0.39927%0.27SS..PPolyproline II helixtrans-72.2159.6167.567.10000111.6H270 E271 V272S268-H270 PolarHBondContact O-N 2.74Å; S268-E271 WeakPolarHBondContact CB-OE2 3.41Å; S268-E271 PolarHBondContact N-OE2 2.7Å; S268-E271 PolarHBondContact O-N 3.29Å; S268-E271 VanDerWaalsContact O-N 3.17Å; S268-E271 VanDerWaalsContact OG-CG 3.27Å; S268-E271 WeakPolarHBondContact OG-CG 3.23Å; S268-E271 PolarHBondContact OG-N 2.78Å; S268-E271 PolarHBondContact OG-OE2 3.01Å; S268-V272 WeakPolarHBondContact O-CG2 3.4Å; S268-V272 PolarHBondContact O-N 3.04Å
269E97.1Very high98.1Very high107 Ų10746.2 Ų46.250%0.527%0.271SS..Hα-helixtrans-58.7-35.2177.2-173.5176.1-176.400112.6M245 V272 A273 R324M245-E269 HydrophobicContact CE-CG 4.03Å; E269-V272 PolarHBondContact O-N 3.39Å; E269-A273 WeakPolarHBondContact O-CB 3.5Å; E269-A273 PolarHBondContact O-N 2.99Å; E269-R324 IonicContact OE1-CZ 2.8Å; E269-R324 IonicContact OE1-NH1 3.39Å; E269-R324 PolarHBondContact OE1-NH1 3.35Å; E269-R324 IonicContact OE1-NH2 2.92Å; E269-R324 PolarHBondContact OE1-NH2 3.26Å
270H98.6Very high98.1Very high114 Ų11444 Ų4453%0.52825%0.252SS..Hα-helixtrans-65.4-44.8176.3-175.869.8000111.9S268 V272 A273 Q274S268-H270 PolarHBondContact O-N 2.74Å; H270-V272 VanDerWaalsContact C-N 3.32Å; H270-V272 PolarHBondContact O-N 3.07Å; H270-A273 WeakPolarHBondContact O-CB 3.33Å; H270-A273 PolarHBondContact O-N 2.84Å; H270-Q274 WeakPolarHBondContact O-CG 3.36Å; H270-Q274 PolarHBondContact O-N 3.18Å
271E98.8Very high98.1Very high38 Ų3842.7 Ų42.718%0.17825%0.251CS..Hα-helixtrans-65.7-36.4177.2-69.3160.8143.500111.7I257 R260 L267 S268 Q274 F275I257-E271 HydrophobicContact CD1-CB 3.97Å; I257-E271 HydrophobicContact CD1-CG 4.13Å; I257-E271 HydrophobicContact CG1-CB 4.04Å; I257-E271 HydrophobicContact CG1-CG 4.09Å; I257-E271 HydrophobicContact CG2-CB 4.43Å; R260-E271 IonicContact CZ-OE1 3.98Å; R260-E271 IonicContact NH1-OE1 3.24Å; R260-E271 PolarHBondContact NH1-OE1 3.45Å; R260-E271 IonicContact NH1-OE2 2.74Å; R260-E271 IonicContact NH2-OE1 2.84Å; R260-E271 PolarHBondContact NH2-OE1 3.42Å; L267-E271 HydrophobicContact CB-CB 4.21Å; S268-E271 WeakPolarHBondContact CB-OE2 3.41Å; S268-E271 PolarHBondContact N-OE2 2.7Å; S268-E271 PolarHBondContact O-N 3.29Å; S268-E271 VanDerWaalsContact O-N 3.17Å; S268-E271 VanDerWaalsContact OG-CG 3.27Å; S268-E271 WeakPolarHBondContact OG-CG 3.23Å; S268-E271 PolarHBondContact OG-N 2.78Å; S268-E271 PolarHBondContact OG-OE2 3.01Å; E271-Q274 PolarHBondContact O-N 2.67Å; E271-F275 PolarHBondContact O-N 2.95Å
272V98.7Very high98.2Very high9 Ų942.7 Ų42.76%0.05525%0.251CS..Hα-helixtrans-62.1-46.1171.9173.40000110.5I192 E193 M245 L267 S268 E269 H270 Q274 F275 K276I192-V272 HydrophobicContact CG2-CB 4.3Å; I192-V272 HydrophobicContact CG2-CG1 4.13Å; I192-V272 HydrophobicContact CG2-CG2 4.08Å; E193-V272 HydrophobicContact CB-CG1 4.33Å; E193-V272 HydrophobicContact CB-CG2 3.97Å; E193-V272 WeakPolarHBondContact OE2-CG1 3.26Å; M245-V272 HydrophobicContact SD-CG1 4.19Å; L267-V272 HydrophobicContact CB-CG2 3.98Å; L267-V272 HydrophobicContact CD1-CG2 4.5Å; S268-V272 WeakPolarHBondContact O-CG2 3.4Å; S268-V272 PolarHBondContact O-N 3.04Å; E269-V272 PolarHBondContact O-N 3.39Å; H270-V272 VanDerWaalsContact C-N 3.32Å; H270-V272 PolarHBondContact O-N 3.07Å; V272-Q274 VanDerWaalsContact C-N 3.35Å; V272-Q274 PolarHBondContact O-N 2.71Å; V272-F275 PolarHBondContact O-N 3.02Å; V272-K276 HydrophobicContact CG1-CD 4Å; V272-K276 HydrophobicContact CG1-CG 4.39Å; V272-K276 WeakPolarHBondContact O-CB 3.46Å; V272-K276 WeakPolarHBondContact O-CG 3.28Å; V272-K276 PolarHBondContact O-N 2.79Å
273A98.7Very high98.2Very high9 Ų940 Ų407%0.07424%0.238CC..Hα-helixtrans-61-42.8176.400000111.9M245 A247 E269 H270 K276 T277M245-A273 HydrophobicContact CB-CB 3.8Å; M245-A273 HydrophobicContact SD-CB 4.36Å; A247-A273 HydrophobicContact CB-CB 3.85Å; E269-A273 WeakPolarHBondContact O-CB 3.5Å; E269-A273 PolarHBondContact O-N 2.99Å; H270-A273 WeakPolarHBondContact O-CB 3.33Å; H270-A273 PolarHBondContact O-N 2.84Å; A273-K276 PolarHBondContact O-N 2.78Å; A273-T277 VanDerWaalsContact O-CB 3.28Å; A273-T277 WeakPolarHBondContact O-CB 3.44Å; A273-T277 PolarHBondContact O-N 3.37Å; A273-T277 PolarHBondContact O-OG1 3.1Å
274Q98.9Very high98.3Very high15 Ų1536.4 Ų36.47%0.0721%0.207CC..Hα-helixtrans-58.2-50.2177.4-78.1-177.5-54.900111.4A247 E248 A249 I257 H270 E271 V272 A278A247-Q274 HydrophobicContact CB-CB 4.37Å; A247-Q274 HydrophobicContact CB-CG 3.55Å; A247-Q274 WeakPolarHBondContact O-CA 3.47Å; E248-Q274 PolarHBondContact O-NE2 3.37Å; A249-Q274 HydrophobicContact CB-CB 3.85Å; A249-Q274 HydrophobicContact CB-CG 3.97Å; I257-Q274 HydrophobicContact CD1-CB 4.04Å; H270-Q274 WeakPolarHBondContact O-CG 3.36Å; H270-Q274 PolarHBondContact O-N 3.18Å; E271-Q274 PolarHBondContact O-N 2.67Å; V272-Q274 VanDerWaalsContact C-N 3.35Å; V272-Q274 PolarHBondContact O-N 2.71Å; Q274-A278 WeakPolarHBondContact O-CB 3.39Å; Q274-A278 PolarHBondContact O-N 2.82Å; Q274-A278 VanDerWaalsContact O-N 3.1Å
275F98.9Very high98.4Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-65.6-47.5179.7-173.2-92.7000112.3I192 F197 F215 L218 L254 I257 L258 E271 V272 T277 A278 V279I192-F275 HydrophobicContact CB-CD1 3.62Å; I192-F275 HydrophobicContact CB-CE1 3.91Å; I192-F275 HydrophobicContact CB-CG 4.25Å; I192-F275 HydrophobicContact CD1-CB 4.21Å; I192-F275 HydrophobicContact CD1-CD1 3.76Å; I192-F275 HydrophobicContact CD1-CD2 3.73Å; I192-F275 HydrophobicContact CD1-CE1 3.96Å; I192-F275 HydrophobicContact CD1-CE2 3.94Å; I192-F275 HydrophobicContact CD1-CG 3.62Å; I192-F275 HydrophobicContact CD1-CZ 4.04Å; I192-F275 HydrophobicContact CG1-CD1 4.22Å; I192-F275 HydrophobicContact CG1-CE1 4.33Å; I192-F275 HydrophobicContact CG2-CB 4.16Å; I192-F275 HydrophobicContact CG2-CD1 3.86Å; I192-F275 HydrophobicContact CG2-CG 4.23Å; F197-F275 HydrophobicContact CE2-CE1 4.13Å; F197-F275 HydrophobicContact CE2-CZ 4.41Å; F197-F275 HydrophobicContact CZ-CE1 4.01Å; F197-F275 AromaticContact CZ-CZ 3.88Å; F197-F275 HydrophobicContact CZ-CZ 3.88Å; F215-F275 HydrophobicContact CD2-CD2 4.36Å; F215-F275 AromaticContact CD2-CE2 3.97Å; F215-F275 HydrophobicContact CD2-CE2 3.97Å; F215-F275 HydrophobicContact CE2-CD2 4.45Å; F215-F275 HydrophobicContact CE2-CE2 4.19Å; L218-F275 HydrophobicContact CD2-CE1 4.35Å; L218-F275 HydrophobicContact CD2-CE2 4.13Å; L218-F275 HydrophobicContact CD2-CZ 3.47Å; L218-F275 VanDerWaalsContact CD2-CZ 3.47Å; L254-F275 HydrophobicContact CD2-CD2 4.45Å; I257-F275 HydrophobicContact CG2-CB 4.23Å; I257-F275 HydrophobicContact CG2-CD2 4.44Å; L258-F275 HydrophobicContact CB-CE2 4.31Å; L258-F275 HydrophobicContact CD1-CE2 4.13Å; L258-F275 HydrophobicContact CD1-CZ 4.3Å; E271-F275 PolarHBondContact O-N 2.95Å; V272-F275 PolarHBondContact O-N 3.02Å; F275-T277 VanDerWaalsContact C-N 3.34Å; F275-T277 PolarHBondContact O-N 3.03Å; F275-A278 PolarHBondContact O-N 3Å; F275-V279 HydrophobicContact CD1-CG2 4.17Å; F275-V279 HydrophobicContact CE1-CG2 3.83Å; F275-V279 HydrophobicContact CZ-CG2 4.1Å; F275-V279 WeakPolarHBondContact O-CG2 3.09Å; F275-V279 PolarHBondContact O-N 3.33Å; F275-V279 VanDerWaalsContact O-N 3.08Å
276K98.6Very high98.5Very high21 Ų2130.9 Ų30.99%0.09117%0.171CC..Hα-helixtrans-57.1-47.4177.8-76.3-174.5-176.7-164.30111.7F190 N191 E193 M245 V272 A273 A278 V279 L280F190-K276 HydrophobicContact CD2-CD 4.3Å; F190-K276 HydrophobicContact CD2-CG 4.13Å; F190-K276 WeakPolarHBondContact O-CG 3.21Å; N191-K276 VanDerWaalsContact OD1-CE 3.24Å; N191-K276 WeakPolarHBondContact OD1-CE 3.17Å; N191-K276 PolarHBondContact OD1-NZ 3.02Å; E193-K276 VanDerWaalsContact CD-NZ 3.25Å; E193-K276 IonicContact OE1-NZ 3.27Å; E193-K276 PolarHBondContact OE1-NZ 3.09Å; E193-K276 WeakPolarHBondContact OE2-CE 3.38Å; E193-K276 IonicContact OE2-NZ 2.69Å; E193-K276 PolarHBondContact OE2-NZ 2.88Å; M245-K276 HydrophobicContact SD-CD 4.24Å; V272-K276 HydrophobicContact CG1-CD 4Å; V272-K276 HydrophobicContact CG1-CG 4.39Å; V272-K276 WeakPolarHBondContact O-CB 3.46Å; V272-K276 WeakPolarHBondContact O-CG 3.28Å; V272-K276 PolarHBondContact O-N 2.79Å; A273-K276 PolarHBondContact O-N 2.78Å; K276-A278 PolarHBondContact O-N 2.97Å; K276-V279 PolarHBondContact O-N 2.73Å; K276-L280 WeakPolarHBondContact O-CB 3.48Å; K276-L280 VanDerWaalsContact O-CG 3.3Å; K276-L280 WeakPolarHBondContact O-CG 3.43Å; K276-L280 PolarHBondContact O-N 3.02Å
277T98.8Very high98.6Very high4 Ų424.3 Ų24.33%0.02513%0.13CC..Hα-helixtrans-58.9-48.8179.3-55.60000110.8F246 A247 A273 F275 V279 L280 V281 L333F246-T277 WeakPolarHBondContact CA-OG1 3.2Å; F246-T277 HydrophobicContact CD2-CG2 3.58Å; F246-T277 HydrophobicContact CE2-CG2 3.69Å; F246-T277 HydrophobicContact CG-CG2 4.38Å; A247-T277 PolarHBondContact N-OG1 2.94Å; A247-T277 WeakPolarHBondContact O-CB 3.37Å; A247-T277 WeakPolarHBondContact O-CG2 3.07Å; A247-T277 PolarHBondContact O-OG1 3.48Å; A273-T277 VanDerWaalsContact O-CB 3.28Å; A273-T277 WeakPolarHBondContact O-CB 3.44Å; A273-T277 PolarHBondContact O-N 3.37Å; A273-T277 PolarHBondContact O-OG1 3.1Å; F275-T277 VanDerWaalsContact C-N 3.34Å; F275-T277 PolarHBondContact O-N 3.03Å; T277-V279 PolarHBondContact O-N 3.26Å; T277-L280 PolarHBondContact O-N 3.11Å; T277-V281 HydrophobicContact CG2-CG2 4.2Å; T277-V281 WeakPolarHBondContact O-CB 3.02Å; T277-V281 VanDerWaalsContact O-CG2 3.27Å; T277-V281 WeakPolarHBondContact O-CG2 3.43Å; T277-V281 PolarHBondContact O-N 2.87Å; T277-L333 HydrophobicContact CG2-CD1 4.45Å
278A98.8Very high98.5Very high21 Ų2124.8 Ų24.817%0.17414%0.137CC..Hα-helixtrans-60.9-42.8-17900000112.5F215 L254 Q274 F275 K276 F282F215-A278 HydrophobicContact CE1-CB 4.15Å; F215-A278 HydrophobicContact CE2-CB 3.96Å; F215-A278 HydrophobicContact CZ-CB 3.53Å; L254-A278 HydrophobicContact CD1-CB 3.55Å; L254-A278 HydrophobicContact CD2-CB 3.65Å; L254-A278 HydrophobicContact CG-CB 4.27Å; Q274-A278 WeakPolarHBondContact O-CB 3.39Å; Q274-A278 PolarHBondContact O-N 2.82Å; Q274-A278 VanDerWaalsContact O-N 3.1Å; F275-A278 PolarHBondContact O-N 3Å; K276-A278 PolarHBondContact O-N 2.97Å; A278-F282 WeakPolarHBondContact O-CB 3.43Å; A278-F282 PolarHBondContact O-N 2.96Å
279V98.8Very high98.3Very high1 Ų129.4 Ų29.41%0.00615%0.146CC..Hα-helixtrans-65.5-46.3176.8179.30000111.1F190 F215 L218 L222 F275 K276 T277 V281 F282 L283F190-V279 HydrophobicContact CB-CB 3.96Å; F190-V279 HydrophobicContact CB-CG1 3.88Å; F190-V279 HydrophobicContact CB-CG2 4.41Å; F215-V279 HydrophobicContact CE2-CG2 3.69Å; F215-V279 HydrophobicContact CZ-CG2 4.15Å; L218-V279 HydrophobicContact CD2-CG2 4.16Å; L222-V279 HydrophobicContact CD1-CG1 4.22Å; F275-V279 HydrophobicContact CD1-CG2 4.17Å; F275-V279 HydrophobicContact CE1-CG2 3.83Å; F275-V279 HydrophobicContact CZ-CG2 4.1Å; F275-V279 WeakPolarHBondContact O-CG2 3.09Å; F275-V279 PolarHBondContact O-N 3.33Å; F275-V279 VanDerWaalsContact O-N 3.08Å; K276-V279 PolarHBondContact O-N 2.73Å; T277-V279 PolarHBondContact O-N 3.26Å; V279-V281 PolarHBondContact O-N 3.24Å; V279-F282 PolarHBondContact O-N 3.3Å; V279-L283 HydrophobicContact CG1-CD1 3.75Å; V279-L283 HydrophobicContact CG1-CG 4.17Å; V279-L283 WeakPolarHBondContact O-CB 3.49Å; V279-L283 VanDerWaalsContact O-CG 3.28Å; V279-L283 WeakPolarHBondContact O-CG 3.41Å; V279-L283 PolarHBondContact O-N 2.88Å
280L98.7Very high98.1Very high5 Ų527.1 Ų27.13%0.02613%0.133CC..Hα-helixtrans-65.9-37.4-179.2-68.5174.6000112.7F190 H239 L241 K276 T277 G284 Y296 L333 Q337F190-L280 HydrophobicContact CD1-CD2 4.14Å; F190-L280 HydrophobicContact CE1-CD2 4.15Å; H239-L280 WeakPolarHBondContact ND1-CD2 3.45Å; L241-L280 HydrophobicContact CD2-CD1 4.05Å; K276-L280 WeakPolarHBondContact O-CB 3.48Å; K276-L280 VanDerWaalsContact O-CG 3.3Å; K276-L280 WeakPolarHBondContact O-CG 3.43Å; K276-L280 PolarHBondContact O-N 3.02Å; T277-L280 PolarHBondContact O-N 3.11Å; L280-G284 PolarHBondContact O-N 2.91Å; L280-Y296 HydrophobicContact CD2-CE1 4.24Å; L280-L333 HydrophobicContact CB-CD1 4.06Å; L280-L333 HydrophobicContact CD1-CD2 3.98Å; L280-Q337 PolarHBondContact O-NE2 2.91Å
281V98.7Very high97.8Very high34 Ų3423.9 Ų23.921%0.20613%0.13CC..Hα-helixtrans-66.1-45.7174.81710000110.7T277 V279 G284 A285 L333 K336 Q337T277-V281 HydrophobicContact CG2-CG2 4.2Å; T277-V281 WeakPolarHBondContact O-CB 3.02Å; T277-V281 VanDerWaalsContact O-CG2 3.27Å; T277-V281 WeakPolarHBondContact O-CG2 3.43Å; T277-V281 PolarHBondContact O-N 2.87Å; V279-V281 PolarHBondContact O-N 3.24Å; V281-G284 PolarHBondContact O-N 2.67Å; V281-A285 PolarHBondContact O-N 3.46Å; V281-A285 VanDerWaalsContact O-N 3.16Å; V281-L333 HydrophobicContact CG2-CD1 4.06Å; V281-K336 HydrophobicContact CG1-CG 4.25Å; V281-K336 HydrophobicContact CG2-CB 4.16Å; V281-K336 HydrophobicContact CG2-CG 3.74Å; V281-Q337 HydrophobicContact CG2-CG 4.32Å
282F98.7Very high97.7Very high26 Ų2622.3 Ų22.311%0.11412%0.123CC..Hα-helixtrans-58.5-48.8174.9163.3-105.9000111.9Q219 L222 T223 A278 V279 A285 E286Q219-F282 HydrophobicContact CB-CD2 4.33Å; Q219-F282 HydrophobicContact CB-CE1 4.11Å; Q219-F282 HydrophobicContact CB-CE2 3.85Å; Q219-F282 HydrophobicContact CB-CZ 3.72Å; Q219-F282 HydrophobicContact CG-CD1 4.07Å; Q219-F282 HydrophobicContact CG-CD2 3.91Å; Q219-F282 HydrophobicContact CG-CE1 4.12Å; Q219-F282 HydrophobicContact CG-CE2 3.95Å; Q219-F282 HydrophobicContact CG-CG 3.95Å; Q219-F282 HydrophobicContact CG-CZ 4.05Å; Q219-F282 WeakPolarHBondContact O-CZ 3.17Å; L222-F282 HydrophobicContact CB-CE1 4.02Å; L222-F282 HydrophobicContact CD1-CE1 4.28Å; T223-F282 WeakPolarHBondContact OG1-CZ 3.13Å; A278-F282 WeakPolarHBondContact O-CB 3.43Å; A278-F282 PolarHBondContact O-N 2.96Å; V279-F282 PolarHBondContact O-N 3.3Å; F282-A285 PolarHBondContact O-N 2.98Å; F282-E286 HydrophobicContact CD2-CG 4.24Å; F282-E286 HydrophobicContact CE1-CG 4.26Å; F282-E286 HydrophobicContact CE2-CG 3.72Å; F282-E286 HydrophobicContact CZ-CG 3.73Å; F282-E286 PolarHBondContact O-N 2.91Å
283L98.9Very high97.7Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-64.1-42179.9-73.2177000112.1P186 L222 L226 V279 A285 E286 Y287P186-L283 HydrophobicContact CB-CD1 4.14Å; P186-L283 HydrophobicContact CG-CD1 3.73Å; L222-L283 HydrophobicContact CD1-CD2 4.41Å; L226-L283 HydrophobicContact CD1-CD2 4.11Å; V279-L283 HydrophobicContact CG1-CD1 3.75Å; V279-L283 HydrophobicContact CG1-CG 4.17Å; V279-L283 WeakPolarHBondContact O-CB 3.49Å; V279-L283 VanDerWaalsContact O-CG 3.28Å; V279-L283 WeakPolarHBondContact O-CG 3.41Å; V279-L283 PolarHBondContact O-N 2.88Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-A285 PolarHBondContact O-N 3.3Å; L283-E286 WeakPolarHBondContact O-CB 3.27Å; L283-E286 PolarHBondContact O-N 3.26Å; L283-E286 VanDerWaalsContact O-N 3.11Å; L283-Y287 HydrophobicContact CB-CE1 4.49Å; L283-Y287 HydrophobicContact CB-CE2 3.8Å; L283-Y287 WeakPolarHBondContact O-CD1 3.39Å; L283-Y287 WeakPolarHBondContact O-CD2 3.37Å; L283-Y287 PolarHBondContact O-N 2.94Å
284G98.6Very high97.7Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-54.5-46.7174.700000112.2L280 V281 E286 Y287 A288 P344L280-G284 PolarHBondContact O-N 2.91Å; V281-G284 PolarHBondContact O-N 2.67Å; G284-E286 PolarHBondContact O-N 3.35Å; G284-Y287 PolarHBondContact O-N 3.41Å; G284-A288 PolarHBondContact O-N 3.23Å; G284-P344 WeakPolarHBondContact O-CD 3.2Å
285A98.7Very high97.7Very high13 Ų1322 Ų2211%0.10712%0.12CC..Hα-helixtrans-62.8-41.4175.700000112.9V281 F282 L283 Y287 A288 R289 L342V281-A285 PolarHBondContact O-N 3.46Å; V281-A285 VanDerWaalsContact O-N 3.16Å; F282-A285 PolarHBondContact O-N 2.98Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-A285 PolarHBondContact O-N 3.3Å; A285-Y287 VanDerWaalsContact C-N 3.33Å; A285-Y287 PolarHBondContact O-N 3.39Å; A285-A288 PolarHBondContact O-N 2.8Å; A285-R289 VanDerWaalsContact O-CG 3.31Å; A285-R289 WeakPolarHBondContact O-CG 3.3Å; A285-R289 PolarHBondContact O-N 3.13Å; A285-R289 VanDerWaalsContact O-N 3.08Å; A285-L342 HydrophobicContact CB-CB 4.19Å; A285-L342 HydrophobicContact CB-CD1 3.98Å
286E98.7Very high97.6Very high15 Ų1522 Ų227%0.0712%0.12CC..Hα-helixtrans-64.7-35.8176.1-73.3-62.596.200112.7L226 F282 L283 G284 R289 R290L226-E286 HydrophobicContact CD1-CB 3.7Å; L226-E286 HydrophobicContact CD1-CG 3.94Å; F282-E286 HydrophobicContact CD2-CG 4.24Å; F282-E286 HydrophobicContact CE1-CG 4.26Å; F282-E286 HydrophobicContact CE2-CG 3.72Å; F282-E286 HydrophobicContact CZ-CG 3.73Å; F282-E286 PolarHBondContact O-N 2.91Å; L283-E286 WeakPolarHBondContact O-CB 3.27Å; L283-E286 PolarHBondContact O-N 3.26Å; L283-E286 VanDerWaalsContact O-N 3.11Å; G284-E286 PolarHBondContact O-N 3.35Å; E286-R289 IonicContact OE1-CZ 2.76Å; E286-R289 IonicContact OE1-NH1 3.95Å; E286-R289 PolarHBondContact OE1-NH1 3.47Å; E286-R290 VanDerWaalsContact CD-NH1 3.29Å; E286-R290 WeakPolarHBondContact O-CG 3.28Å; E286-R290 PolarHBondContact O-N 3.27Å; E286-R290 PolarHBondContact O-NH1 2.92Å; E286-R290 IonicContact OE1-NH1 2.84Å; E286-R290 IonicContact OE2-CZ 3.92Å; E286-R290 VanDerWaalsContact OE2-CZ 3.24Å; E286-R290 IonicContact OE2-NH1 2.66Å; E286-R290 PolarHBondContact OE2-NH1 3.4Å; E286-R290 IonicContact OE2-NH2 3.39Å; E286-R290 PolarHBondContact OE2-NH2 2.92Å
287Y98.6Very high97.6Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-67.6-44.7175.1-57.7-30.9000111.6W184 L226 S237 H239 L283 G284 A285 R289 R290 G291 W292 Q294 P344W184-Y287 AromaticContact CD1-CZ 3.91Å; W184-Y287 PolarHBondContact NE1-OH 3.23Å; W184-Y287 VanDerWaalsContact NE1-OH 3.09Å; L226-Y287 HydrophobicContact CD2-CD1 4.41Å; L226-Y287 HydrophobicContact CD2-CE1 3.79Å; S237-Y287 VanDerWaalsContact CB-CZ 3.47Å; S237-Y287 WeakPolarHBondContact OG-CE2 3.38Å; H239-Y287 AromaticContact CE1-CE2 3.9Å; H239-Y287 PolarHBondContact CE1-OH 3.4Å; H239-Y287 AromaticContact NE2-CE2 3.49Å; H239-Y287 WeakPolarHBondContact NE2-CE2 3.43Å; H239-Y287 AromaticContact NE2-CZ 3.62Å; H239-Y287 PolarHBondContact NE2-OH 2.98Å; L283-Y287 HydrophobicContact CB-CE1 4.49Å; L283-Y287 HydrophobicContact CB-CE2 3.8Å; L283-Y287 WeakPolarHBondContact O-CD1 3.39Å; L283-Y287 WeakPolarHBondContact O-CD2 3.37Å; L283-Y287 PolarHBondContact O-N 2.94Å; G284-Y287 PolarHBondContact O-N 3.41Å; A285-Y287 VanDerWaalsContact C-N 3.33Å; A285-Y287 PolarHBondContact O-N 3.39Å; Y287-R289 VanDerWaalsContact C-N 3.34Å; Y287-R289 PolarHBondContact O-N 2.86Å; Y287-R290 CarbonylContact O-C 3.52Å; Y287-R290 PolarHBondContact O-N 3.03Å; Y287-R290 VanDerWaalsContact O-N 3.14Å; Y287-G291 PolarHBondContact O-N 3.31Å; Y287-W292 HydrophobicContact CD1-CB 4.44Å; Y287-W292 AromaticContact CD1-CE3 3.7Å; Y287-W292 HydrophobicContact CD1-CE3 3.7Å; Y287-W292 HydrophobicContact CD1-CZ3 4.38Å; Y287-W292 AromaticContact CE1-CE3 3.99Å; Y287-W292 HydrophobicContact CE1-CE3 3.99Å; Y287-W292 HydrophobicContact CE1-CZ3 4.3Å; Y287-W292 PolarHBondContact O-N 3.49Å; Y287-Q294 HydrophobicContact CD2-CB 4.19Å; Y287-Q294 HydrophobicContact CD2-CG 4.35Å; Y287-Q294 HydrophobicContact CE2-CG 4.49Å; Y287-P344 HydrophobicContact CD2-CG 4.48Å
288A95.1Very high97.6Very high31 Ų3121 Ų2126%0.25612%0.116SC..Hα-helixtrans-59.8-45177.500000111.4G284 A285 R290 G291 L342 P344G284-A288 PolarHBondContact O-N 3.23Å; A285-A288 PolarHBondContact O-N 2.8Å; A288-R290 PolarHBondContact O-N 2.92Å; A288-G291 PolarHBondContact O-N 3.02Å; A288-G291 VanDerWaalsContact O-N 3.12Å; A288-L342 HydrophobicContact CB-CD2 4.33Å; A288-L342 VanDerWaalsContact CB-O 3.22Å; A288-L342 WeakPolarHBondContact CB-O 3.4Å; A288-P344 HydrophobicContact CB-CB 4.25Å
289R94.6Very high97.6Very high154 Ų15420.2 Ų20.258%0.58111%0.11SC*.Hα-helixtrans-60.4-31.4176.4-70.8172.6-169.1138.96.2113.4A285 E286 Y287A285-R289 VanDerWaalsContact O-CG 3.31Å; A285-R289 WeakPolarHBondContact O-CG 3.3Å; A285-R289 PolarHBondContact O-N 3.13Å; A285-R289 VanDerWaalsContact O-N 3.08Å; E286-R289 IonicContact OE1-CZ 2.76Å; E286-R289 IonicContact OE1-NH1 3.95Å; E286-R289 PolarHBondContact OE1-NH1 3.47Å; Y287-R289 VanDerWaalsContact C-N 3.34Å; Y287-R289 PolarHBondContact O-N 2.86Å
290R94.2Very high97.5Very high60 Ų6020.2 Ų20.223%0.22611%0.111CC..Hα-helixtrans-92.1-4.6178.9-69.6173.6-179.471.4-3.8113.8D227 E286 Y287 A288 W292D227-R290 IonicContact OD1-CZ 3.73Å; D227-R290 IonicContact OD1-NE 3.14Å; D227-R290 IonicContact OD1-NH2 3.69Å; D227-R290 PolarHBondContact OD1-NH2 3.14Å; E286-R290 VanDerWaalsContact CD-NH1 3.29Å; E286-R290 WeakPolarHBondContact O-CG 3.28Å; E286-R290 PolarHBondContact O-N 3.27Å; E286-R290 PolarHBondContact O-NH1 2.92Å; E286-R290 IonicContact OE1-NH1 2.84Å; E286-R290 IonicContact OE2-CZ 3.92Å; E286-R290 VanDerWaalsContact OE2-CZ 3.24Å; E286-R290 IonicContact OE2-NH1 2.66Å; E286-R290 PolarHBondContact OE2-NH1 3.4Å; E286-R290 IonicContact OE2-NH2 3.39Å; E286-R290 PolarHBondContact OE2-NH2 2.92Å; Y287-R290 CarbonylContact O-C 3.52Å; Y287-R290 PolarHBondContact O-N 3.03Å; Y287-R290 VanDerWaalsContact O-N 3.14Å; A288-R290 PolarHBondContact O-N 2.92Å; R290-W292 VanDerWaalsContact C-N 3.25Å; R290-W292 HydrophobicContact CB-CD2 4.31Å; R290-W292 HydrophobicContact CB-CG 4Å; R290-W292 PolarHBondContact O-N 2.6Å
291G92.4Very high97.4Very high46 Ų4623.4 Ų23.447%0.47413%0.127SC..THydrogen-bonded Turntrans66.524.1-17300000114.1Y287 A288Y287-G291 PolarHBondContact O-N 3.31Å; A288-G291 PolarHBondContact O-N 3.02Å; A288-G291 VanDerWaalsContact O-N 3.12Å
292W95.8Very high97.2Very high5 Ų525.1 Ų25.12%0.01913%0.13CC..PPolyproline II helixtrans-79.4158.8178.7-71.610.5000112W184 L226 F229 A230 C234 K235 Y287 R290W184-W292 HydrophobicContact CB-CZ3 4.04Å; W184-W292 HydrophobicContact CG-CZ3 4.33Å; L226-W292 HydrophobicContact CD2-CE3 4.31Å; L226-W292 HydrophobicContact CD2-CH2 3.96Å; L226-W292 HydrophobicContact CD2-CZ3 3.46Å; L226-W292 VanDerWaalsContact CD2-CZ3 3.46Å; F229-W292 HydrophobicContact CB-CH2 3.77Å; A230-W292 HydrophobicContact CB-CZ2 3.83Å; C234-W292 HydrophobicContact CB-CH2 3.79Å; C234-W292 HydrophobicContact CB-CZ2 3.67Å; C234-W292 HydrophobicContact CB-CZ3 4.43Å; C234-W292 PolarHBondContact O-NE1 3.29Å; C234-W292 VanDerWaalsContact SG-CH2 3.52Å; C234-W292 VanDerWaalsContact SG-CZ3 3.54Å; K235-W292 CarbonylContact O-C 3.44Å; K235-W292 WeakPolarHBondContact O-CA 3.22Å; K235-W292 WeakPolarHBondContact O-CB 3.3Å; Y287-W292 HydrophobicContact CD1-CB 4.44Å; Y287-W292 AromaticContact CD1-CE3 3.7Å; Y287-W292 HydrophobicContact CD1-CE3 3.7Å; Y287-W292 HydrophobicContact CD1-CZ3 4.38Å; Y287-W292 AromaticContact CE1-CE3 3.99Å; Y287-W292 HydrophobicContact CE1-CE3 3.99Å; Y287-W292 HydrophobicContact CE1-CZ3 4.3Å; Y287-W292 PolarHBondContact O-N 3.49Å; R290-W292 VanDerWaalsContact C-N 3.25Å; R290-W292 HydrophobicContact CB-CD2 4.31Å; R290-W292 HydrophobicContact CB-CG 4Å; R290-W292 PolarHBondContact O-N 2.6Å
293V98.1Very high96.8Very high25 Ų2526.5 Ų26.515%0.15214%0.138CC..EExtended strand (participates in β ladder)trans-92.6140.2171.3-1790000109.6K235 V236 S237 Q295 K345 I347K235-V293 PolarHBondContact O-N 2.94Å; V236-V293 CarbonylContact C-O 3.52Å; V236-V293 WeakPolarHBondContact CA-O 3.22Å; V236-V293 HydrophobicContact CB-CB 4.49Å; V236-V293 HydrophobicContact CG1-CB 4.15Å; V236-V293 HydrophobicContact CG1-CG1 4.44Å; V236-V293 HydrophobicContact CG2-CB 4.17Å; S237-V293 PolarHBondContact N-O 3.03Å; S237-V293 PolarHBondContact OG-O 3.18Å; V293-Q295 HydrophobicContact CG1-CG 4.49Å; V293-K345 CarbonylContact C-O 3.59Å; V293-K345 WeakPolarHBondContact CA-O 3.08Å; V293-K345 HydrophobicContact CG1-CB 4.46Å; V293-K345 HydrophobicContact CG2-CB 4.03Å; V293-K345 HydrophobicContact CG2-CD 4.41Å; V293-I347 HydrophobicContact CG1-CD1 4.08Å; V293-I347 HydrophobicContact CG1-CG1 3.96Å
294Q98.6Very high96.7Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-101.1133.1172.4-179.8172.5-94.600110.1S237 Y287 Y296 Q337 P344 K345 T346 I347S237-Q294 WeakPolarHBondContact OG-CA 3.42Å; Y287-Q294 HydrophobicContact CD2-CB 4.19Å; Y287-Q294 HydrophobicContact CD2-CG 4.35Å; Y287-Q294 HydrophobicContact CE2-CG 4.49Å; Q294-Y296 HydrophobicContact CG-CD1 4.22Å; Q294-Y296 HydrophobicContact CG-CE1 3.76Å; Q294-Y296 HydrophobicContact CG-CE2 4.27Å; Q294-Y296 PolarHBondContact NE2-OH 3.25Å; Q294-Y296 PolarHBondContact OE1-OH 3.2Å; Q294-Q337 VanDerWaalsContact NE2-OE1 3.09Å; Q294-P344 HydrophobicContact CB-CG 3.72Å; Q294-K345 PolarHBondContact N-O 3.37Å; Q294-T346 HydrophobicContact CB-CG2 4.35Å; Q294-T346 HydrophobicContact CG-CG2 4.36Å; Q294-T346 CarbonylContact O-C 3.6Å; Q294-T346 VanDerWaalsContact O-CA 3.23Å; Q294-T346 WeakPolarHBondContact O-CA 3.18Å; Q294-I347 PolarHBondContact O-N 3.26Å
295Q98.6Very high96.5Very high0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-122.5132.8173.1-58.5-172.695.300110.5V236 S237 H239 V293 I347 Y349V236-Q295 HydrophobicContact CG1-CG 3.89Å; S237-Q295 VanDerWaalsContact O-CB 3.26Å; S237-Q295 WeakPolarHBondContact O-CB 3.43Å; S237-Q295 WeakPolarHBondContact O-CG 3.48Å; S237-Q295 PolarHBondContact O-N 2.89Å; H239-Q295 PolarHBondContact N-O 3.47Å; V293-Q295 HydrophobicContact CG1-CG 4.49Å; Q295-I347 WeakPolarHBondContact CA-O 3.23Å; Q295-I347 HydrophobicContact CG-CB 4.2Å; Q295-I347 HydrophobicContact CG-CD1 4.18Å; Q295-I347 HydrophobicContact CG-CG1 4.36Å; Q295-Y349 HydrophobicContact CB-CE2 4.09Å; Q295-Y349 HydrophobicContact CG-CE2 4.36Å; Q295-Y349 PolarHBondContact OE1-OH 2.85Å
296Y98.7Very high96.3Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-121115.1174.9-68.1-27.8000111.3H239 L241 L280 Q294 L333 Q337 I347 L348 Y349H239-Y296 HydrophobicContact CB-CD1 3.8Å; H239-Y296 HydrophobicContact CB-CE1 3.97Å; H239-Y296 AromaticContact CG-CE1 3.78Å; H239-Y296 AromaticContact ND1-CE1 3.97Å; L241-Y296 HydrophobicContact CD1-CD1 3.93Å; L241-Y296 HydrophobicContact CD1-CD2 4Å; L241-Y296 HydrophobicContact CD1-CE1 4.32Å; L241-Y296 HydrophobicContact CD1-CE2 4.39Å; L241-Y296 HydrophobicContact CD1-CG 3.75Å; L241-Y296 HydrophobicContact CG-CD1 4.33Å; L241-Y296 HydrophobicContact CG-CG 4.47Å; L280-Y296 HydrophobicContact CD2-CE1 4.24Å; Q294-Y296 HydrophobicContact CG-CD1 4.22Å; Q294-Y296 HydrophobicContact CG-CE1 3.76Å; Q294-Y296 HydrophobicContact CG-CE2 4.27Å; Q294-Y296 PolarHBondContact NE2-OH 3.25Å; Q294-Y296 PolarHBondContact OE1-OH 3.2Å; Y296-L333 HydrophobicContact CE2-CD2 4.15Å; Y296-Q337 PolarHBondContact OH-NE2 2.79Å; Y296-I347 PolarHBondContact N-O 3.07Å; Y296-L348 HydrophobicContact CD2-CD2 3.74Å; Y296-L348 HydrophobicContact CG-CD2 4.27Å; Y296-Y349 PolarHBondContact O-N 2.92Å
297H98.2Very high96.2Very high2 Ų245.3 Ų45.31%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-96104.4173.9-74.1103000110.1H33 D238 H239 A240 L241 Y349 W381H33-H297 AromaticContact CD2-CE1 3.47Å; H33-H297 PolarHBondContact CD2-CE1 2.89Å; H33-H297 VanDerWaalsContact CD2-CE1 3.47Å; H33-H297 AromaticContact CD2-NE2 3.91Å; H33-H297 AromaticContact NE2-CE1 3.46Å; H33-H297 PolarHBondContact NE2-CE1 3.45Å; D238-H297 IonicContact OD1-CE1 2.67Å; D238-H297 PolarHBondContact OD1-CE1 3.37Å; D238-H297 IonicContact OD1-CG 2.82Å; D238-H297 IonicContact OD1-ND1 2.66Å; D238-H297 PolarHBondContact OD1-ND1 3.33Å; H239-H297 PolarHBondContact O-N 2.89Å; A240-H297 WeakPolarHBondContact CA-O 3.48Å; L241-H297 PolarHBondContact N-O 3.41Å; H297-Y349 AromaticContact CD2-CD2 3.57Å; H297-Y349 AromaticContact CD2-CG 3.59Å; H297-Y349 AromaticContact CE1-CD2 3.87Å; H297-Y349 AromaticContact CE1-CE2 3.88Å; H297-Y349 AromaticContact NE2-CD2 3.45Å; H297-Y349 WeakPolarHBondContact NE2-CD2 3.48Å; H297-Y349 AromaticContact NE2-CE2 3.68Å; H297-Y349 AromaticContact NE2-CG 3.66Å; H297-W381 HydrophobicContact CB-CE3 4.42Å; H297-W381 HydrophobicContact CB-CH2 3.6Å; H297-W381 HydrophobicContact CB-CZ2 3.71Å; H297-W381 HydrophobicContact CB-CZ3 3.94Å; H297-W381 AromaticContact CD2-CD1 3.74Å; H297-W381 AromaticContact CD2-CD2 3.54Å; H297-W381 AromaticContact CD2-CE2 3.4Å; H297-W381 VanDerWaalsContact CD2-CE2 3.4Å; H297-W381 AromaticContact CD2-CG 3.83Å; H297-W381 AromaticContact CD2-CZ2 3.88Å; H297-W381 AromaticContact CD2-NE1 3.5Å
298I98.5Very high95.9Very high2 Ų246.7 Ų46.71%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-109.4132-163.5-50.3172.9000112.5L241 V244 M326 L330 Y349 L351 W381L241-I298 HydrophobicContact CB-CG1 4.27Å; L241-I298 HydrophobicContact CD1-CG1 4.47Å; L241-I298 VanDerWaalsContact O-CA 3.31Å; L241-I298 WeakPolarHBondContact O-CA 3.46Å; V244-I298 HydrophobicContact CG2-CD1 4.12Å; V244-I298 HydrophobicContact CG2-CG1 4.35Å; V244-I298 HydrophobicContact CG2-CG2 3.42Å; V244-I298 VanDerWaalsContact CG2-CG2 3.42Å; I298-M326 HydrophobicContact CB-CE 3.98Å; I298-M326 HydrophobicContact CB-SD 4.17Å; I298-M326 HydrophobicContact CD1-SD 3.99Å; I298-M326 HydrophobicContact CG2-CB 4.36Å; I298-M326 HydrophobicContact CG2-CE 3.4Å; I298-M326 HydrophobicContact CG2-SD 3.66Å; I298-L330 HydrophobicContact CD1-CD1 4.25Å; I298-L330 HydrophobicContact CD1-CD2 4.04Å; I298-Y349 WeakPolarHBondContact CB-O 3.48Å; I298-Y349 PolarHBondContact N-O 3.3Å; I298-L351 PolarHBondContact O-N 3.5Å; I298-W381 WeakPolarHBondContact O-CZ3 3.43Å
299G97.9Very high95.8Very high6 Ų648.9 Ų48.96%0.06223%0.234CC..  trans95.637162.900000115.5L241 D242 N322 L351L241-G299 PolarHBondContact O-N 3.12Å; D242-G299 WeakPolarHBondContact O-CA 3.32Å; G299-N322 VanDerWaalsContact C-CB 3.46Å; G299-N322 WeakPolarHBondContact O-CA 3.39Å; G299-N322 WeakPolarHBondContact O-CB 3.45Å; G299-N322 PolarHBondContact O-N 3.22Å; G299-L351 WeakPolarHBondContact O-CB 3.49Å; G299-L351 WeakPolarHBondContact O-CD2 3.42Å
300A97Very high95.8Very high1 Ų149.2 Ų49.21%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-85.6135.9169.400000112.1D242 R302 L351 W382D242-A300 WeakPolarHBondContact CB-O 3.38Å; A300-R302 HydrophobicContact CB-CG 4.33Å; A300-L351 HydrophobicContact CB-CD2 4.04Å; A300-W382 HydrophobicContact CB-CH2 4.38Å; A300-W382 HydrophobicContact CB-CZ3 3.63Å
301L96.7Very high95.7Very high71 Ų7151.9 Ų51.937%0.37226%0.258SS..EExtended strand (participates in β ladder)trans-106.3105.7170.2-172.369.8000108.9N304 D319 S320 N322L301-N304 VanDerWaalsContact CD2-OD1 3.28Å; L301-N304 WeakPolarHBondContact CD2-OD1 3.41Å; L301-N304 VanDerWaalsContact CG-OD1 3.24Å; L301-N304 WeakPolarHBondContact CG-OD1 3.39Å; L301-N304 PolarHBondContact O-ND2 2.77Å; L301-D319 WeakPolarHBondContact O-CA 3.44Å; L301-S320 WeakPolarHBondContact CB-O 3.18Å; L301-S320 PolarHBondContact N-O 3.05Å; L301-S320 PolarHBondContact O-N 2.82Å; L301-N322 HydrophobicContact CB-CB 4Å
302R94.2Very high95.6Very high70 Ų7052.5 Ų52.526%0.26425%0.25SC..  trans-94.7152.1-165.9-59.5-172.5-171.4-84.5-10.3114.3D242 A300 N304 D319D242-R302 VanDerWaalsContact CG-NE 3.28Å; D242-R302 IonicContact OD1-CZ 3.39Å; D242-R302 VanDerWaalsContact OD1-CZ 3.3Å; D242-R302 IonicContact OD1-NE 2.78Å; D242-R302 PolarHBondContact OD1-NE 3.09Å; D242-R302 IonicContact OD1-NH2 3.89Å; D242-R302 PolarHBondContact OD1-NH2 3.44Å; D242-R302 WeakPolarHBondContact OD2-CD 3.43Å; D242-R302 IonicContact OD2-NE 2.74Å; D242-R302 PolarHBondContact OD2-NE 3.32Å; A300-R302 HydrophobicContact CB-CG 4.33Å; R302-N304 VanDerWaalsContact C-N 3.31Å; R302-N304 PolarHBondContact O-N 2.82Å; R302-D319 VanDerWaalsContact CA-OD1 3.25Å; R302-D319 WeakPolarHBondContact CA-OD1 3.36Å
303N91.8Very high95.4Very high55 Ų5553.2 Ų53.229%0.29426%0.259SS..  trans57.237.9166.5-56.2-51000114.2N305 F309 D319N303-N305 PolarHBondContact O-N 2.87Å; N303-N305 VanDerWaalsContact O-N 3.1Å; N303-F309 HydrophobicContact CB-CB 4.48Å; N303-F309 HydrophobicContact CB-CD2 3.85Å; N303-F309 HydrophobicContact CB-CE2 4.28Å; N303-F309 HydrophobicContact CB-CG 4.15Å; N303-F309 VanDerWaalsContact CG-CD2 3.46Å; N303-F309 WeakPolarHBondContact OD1-CD2 3.43Å; N303-F309 WeakPolarHBondContact OD1-CE2 3.44Å; N303-D319 PolarHBondContact N-OD1 3.34Å
304N95.7Very high95.1Very high76 Ų7655.3 Ų55.341%0.40627%0.273SS..  trans-62.4-24-171.7-61.5-59.9000114.1L301 R302 F318 D319 S320L301-N304 VanDerWaalsContact CD2-OD1 3.28Å; L301-N304 WeakPolarHBondContact CD2-OD1 3.41Å; L301-N304 VanDerWaalsContact CG-OD1 3.24Å; L301-N304 WeakPolarHBondContact CG-OD1 3.39Å; L301-N304 PolarHBondContact O-ND2 2.77Å; R302-N304 VanDerWaalsContact C-N 3.31Å; R302-N304 PolarHBondContact O-N 2.82Å; N304-F318 WeakPolarHBondContact CB-O 3.44Å; N304-F318 PolarHBondContact N-O 2.53Å; N304-F318 PolarHBondContact ND2-O 3.48Å; N304-D319 WeakPolarHBondContact ND2-CA 3.34Å; N304-S320 PolarHBondContact ND2-N 3Å; N304-S320 PolarHBondContact ND2-OG 2.79Å
305N95.2Very high94.5Very high61 Ų6158.7 Ų58.733%0.32629%0.291SS..  trans-103.588.8177.4-169.8-30.2000110.9N303 R307 Q308 F309 F318N303-N305 PolarHBondContact O-N 2.87Å; N303-N305 VanDerWaalsContact O-N 3.1Å; N305-R307 PolarHBondContact O-N 3.15Å; N305-R307 PolarHBondContact OD1-N 2.84Å; N305-Q308 HydrophobicContact CB-CB 4.12Å; N305-Q308 HydrophobicContact CB-CG 4.3Å; N305-Q308 VanDerWaalsContact CG-CG 3.48Å; N305-Q308 WeakPolarHBondContact ND2-CG 3.4Å; N305-Q308 PolarHBondContact O-N 2.85Å; N305-Q308 PolarHBondContact OD1-N 2.88Å; N305-Q308 VanDerWaalsContact OD1-N 3.17Å; N305-F309 PolarHBondContact O-N 3.02Å; N305-F318 HydrophobicContact CB-CB 4.09Å; N305-F318 HydrophobicContact CB-CD1 3.72Å; N305-F318 HydrophobicContact CB-CE1 4.38Å; N305-F318 HydrophobicContact CB-CG 3.93Å
306L94.2Very high94.1Very high104 Ų10459.7 Ų59.755%0.54530%0.297SS..Hα-helixtrans-57.2-34.2-176.5-176.661.2000113.7F309 K310L306-F309 HydrophobicContact CD1-CD1 4.33Å; L306-K310 HydrophobicContact CD1-CG 4.45Å; L306-K310 HydrophobicContact CG-CD 4.44Å; L306-K310 VanDerWaalsContact O-CG 3.31Å; L306-K310 WeakPolarHBondContact O-CG 3.36Å; L306-K310 PolarHBondContact O-N 3.29Å; L306-K310 VanDerWaalsContact O-N 3.08Å
307R95.7Very high93.7Very high182 Ų18260 Ų6069%0.68730%0.301SS*.Hα-helixtrans-63.1-47.6176.1176.3-176.4170.3-149.3-3.4110.3N305 K310 L311N305-R307 PolarHBondContact O-N 3.15Å; N305-R307 PolarHBondContact OD1-N 2.84Å; R307-K310 PolarHBondContact O-N 3.48Å; R307-L311 HydrophobicContact CG-CD1 4.23Å; R307-L311 WeakPolarHBondContact O-CG 3.31Å; R307-L311 PolarHBondContact O-N 2.95Å
308Q93.9Very high93.5Very high30 Ų3062 Ų6214%0.1431%0.309CS..Hα-helixtrans-72.2-37.8-178.4-65.2-69.3700111.7N305 K310 L311 L312 F318N305-Q308 HydrophobicContact CB-CB 4.12Å; N305-Q308 HydrophobicContact CB-CG 4.3Å; N305-Q308 VanDerWaalsContact CG-CG 3.48Å; N305-Q308 WeakPolarHBondContact ND2-CG 3.4Å; N305-Q308 PolarHBondContact O-N 2.85Å; N305-Q308 PolarHBondContact OD1-N 2.88Å; N305-Q308 VanDerWaalsContact OD1-N 3.17Å; Q308-K310 VanDerWaalsContact C-N 3.28Å; Q308-K310 PolarHBondContact O-N 2.86Å; Q308-L311 PolarHBondContact O-N 2.83Å; Q308-L312 WeakPolarHBondContact O-CB 3.49Å; Q308-L312 PolarHBondContact O-N 2.97Å; Q308-F318 HydrophobicContact CB-CD1 4.5Å; Q308-F318 HydrophobicContact CB-CD2 3.68Å; Q308-F318 HydrophobicContact CB-CE1 4.24Å; Q308-F318 HydrophobicContact CB-CE2 3.4Å; Q308-F318 VanDerWaalsContact CB-CE2 3.4Å; Q308-F318 HydrophobicContact CB-CG 4.25Å; Q308-F318 HydrophobicContact CB-CZ 3.71Å; Q308-F318 HydrophobicContact CG-CD2 4.37Å; Q308-F318 HydrophobicContact CG-CE1 3.89Å; Q308-F318 HydrophobicContact CG-CE2 3.75Å; Q308-F318 HydrophobicContact CG-CZ 3.47Å; Q308-F318 VanDerWaalsContact CG-CZ 3.47Å
309F92.9Very high93.3Very high76 Ų7662.1 Ų62.133%0.33331%0.31SS..Hα-helixtrans-56.1-42.9172.6178.6-107.5000112N303 N305 L306 L311 G313 P314N303-F309 HydrophobicContact CB-CB 4.48Å; N303-F309 HydrophobicContact CB-CD2 3.85Å; N303-F309 HydrophobicContact CB-CE2 4.28Å; N303-F309 HydrophobicContact CB-CG 4.15Å; N303-F309 VanDerWaalsContact CG-CD2 3.46Å; N303-F309 WeakPolarHBondContact OD1-CD2 3.43Å; N303-F309 WeakPolarHBondContact OD1-CE2 3.44Å; N305-F309 PolarHBondContact O-N 3.02Å; L306-F309 HydrophobicContact CD1-CD1 4.33Å; F309-L311 VanDerWaalsContact C-N 3.29Å; F309-L311 PolarHBondContact O-N 3.07Å; F309-G313 VanDerWaalsContact O-CA 3.24Å; F309-G313 WeakPolarHBondContact O-CA 3.27Å; F309-G313 PolarHBondContact O-N 3.04Å; F309-P314 HydrophobicContact CE2-CB 3.98Å; F309-P314 HydrophobicContact CE2-CG 4.4Å
310K94Very high93.3Very high161 Ų16163.6 Ų63.670%0.732%0.32SS*.Hα-helixtrans-66-28.4175.6-74175.4179.4-178.80113.9L306 R307 Q308L306-K310 HydrophobicContact CD1-CG 4.45Å; L306-K310 HydrophobicContact CG-CD 4.44Å; L306-K310 VanDerWaalsContact O-CG 3.31Å; L306-K310 WeakPolarHBondContact O-CG 3.36Å; L306-K310 PolarHBondContact O-N 3.29Å; L306-K310 VanDerWaalsContact O-N 3.08Å; R307-K310 PolarHBondContact O-N 3.48Å; Q308-K310 VanDerWaalsContact C-N 3.28Å; Q308-K310 PolarHBondContact O-N 2.86Å
311L92.1Very high93.3Very high116 Ų11666.4 Ų66.461%0.60733%0.334SS*.Hα-helixtrans-88.9-36.1-177.8-71.6171.9000112.8R307 Q308 F309R307-L311 HydrophobicContact CG-CD1 4.23Å; R307-L311 WeakPolarHBondContact O-CG 3.31Å; R307-L311 PolarHBondContact O-N 2.95Å; Q308-L311 PolarHBondContact O-N 2.83Å; F309-L311 VanDerWaalsContact C-N 3.29Å; F309-L311 PolarHBondContact O-N 3.07Å
312L90.7Very high93.4Very high59 Ų5964 Ų6431%0.30932%0.321SS..Hα-helixtrans-122.4-16.5-165.4-59.1176.2000113.3E72 Q308 V316 F318E72-L312 HydrophobicContact CG-CD1 4.3Å; E72-L312 WeakPolarHBondContact OE1-CD1 3.47Å; Q308-L312 WeakPolarHBondContact O-CB 3.49Å; Q308-L312 PolarHBondContact O-N 2.97Å; L312-V316 HydrophobicContact CB-CB 4.49Å; L312-V316 HydrophobicContact CB-CG1 4.28Å; L312-V316 HydrophobicContact CB-CG2 3.9Å; L312-V316 HydrophobicContact CD1-CG2 4.42Å; L312-F318 HydrophobicContact CD1-CE2 4.17Å
313G91.3Very high93.4Very high21 Ų2165.9 Ų65.922%0.21634%0.337CS..  trans84.8-168.2-174.300000114.1F309 V316F309-G313 VanDerWaalsContact O-CA 3.24Å; F309-G313 WeakPolarHBondContact O-CA 3.27Å; F309-G313 PolarHBondContact O-N 3.04Å; G313-V316 WeakPolarHBondContact O-CG2 3.5Å
314P90.8Very high93.7Very high69 Ų6968.6 Ų68.645%0.44834%0.343SS..SBendtrans-74.4174.3175.631.1-33.9000112.7F309 V316F309-P314 HydrophobicContact CE2-CB 3.98Å; F309-P314 HydrophobicContact CE2-CG 4.4Å; P314-V316 PolarHBondContact O-N 2.99Å
315D87.2Confident93.7Very high71 Ų7169.8 Ų69.838%0.3836%0.355SS..SBendtrans59.720.9168.2-52.5-37.4000116.3R414D315-R414 IonicContact OD2-NH2 2.63Å
316V89.3Confident93.8Very high20 Ų2067.2 Ų67.212%0.12134%0.341CS..SBendtrans-102.317.1179.3-70.10000113.2W62 R66 L312 G313 P314 F318W62-V316 HydrophobicContact CZ3-CG1 4.29Å; R66-V316 PolarHBondContact NH1-O 3.25Å; R66-V316 PolarHBondContact NH2-O 3.33Å; L312-V316 HydrophobicContact CB-CB 4.49Å; L312-V316 HydrophobicContact CB-CG1 4.28Å; L312-V316 HydrophobicContact CB-CG2 3.9Å; L312-V316 HydrophobicContact CD1-CG2 4.42Å; G313-V316 WeakPolarHBondContact O-CG2 3.5Å; P314-V316 PolarHBondContact O-N 2.99Å; V316-F318 HydrophobicContact CG2-CD2 3.84Å; V316-F318 HydrophobicContact CG2-CE2 4.16Å
317G90.3Very high94Very high8 Ų864.1 Ų64.18%0.08233%0.33CS..SBendtrans94.617.6170.500000116.7R63R63-G317 PolarHBondContact NH1-O 2.9Å; R63-G317 VanDerWaalsContact NH1-O 3.15Å
318F93.8Very high94.2Very high42 Ų4261.5 Ų61.518%0.18433%0.326CS..  trans-98.923.4176.6-66.6-73.2000114.2N304 N305 Q308 L312 V316N304-F318 WeakPolarHBondContact CB-O 3.44Å; N304-F318 PolarHBondContact N-O 2.53Å; N304-F318 PolarHBondContact ND2-O 3.48Å; N305-F318 HydrophobicContact CB-CB 4.09Å; N305-F318 HydrophobicContact CB-CD1 3.72Å; N305-F318 HydrophobicContact CB-CE1 4.38Å; N305-F318 HydrophobicContact CB-CG 3.93Å; Q308-F318 HydrophobicContact CB-CD1 4.5Å; Q308-F318 HydrophobicContact CB-CD2 3.68Å; Q308-F318 HydrophobicContact CB-CE1 4.24Å; Q308-F318 HydrophobicContact CB-CE2 3.4Å; Q308-F318 VanDerWaalsContact CB-CE2 3.4Å; Q308-F318 HydrophobicContact CB-CG 4.25Å; Q308-F318 HydrophobicContact CB-CZ 3.71Å; Q308-F318 HydrophobicContact CG-CD2 4.37Å; Q308-F318 HydrophobicContact CG-CE1 3.89Å; Q308-F318 HydrophobicContact CG-CE2 3.75Å; Q308-F318 HydrophobicContact CG-CZ 3.47Å; Q308-F318 VanDerWaalsContact CG-CZ 3.47Å; L312-F318 HydrophobicContact CD1-CE2 4.17Å; V316-F318 HydrophobicContact CG2-CD2 3.84Å; V316-F318 HydrophobicContact CG2-CE2 4.16Å
319D95.4Very high94.4Very high5 Ų562.3 Ų62.33%0.02733%0.33CS..  trans-97162.7178.4-55-32.5000111.7R63 L301 R302 N303 N304 W382 F383R63-D319 PolarHBondContact NH1-O 3.08Å; L301-D319 WeakPolarHBondContact O-CA 3.44Å; R302-D319 VanDerWaalsContact CA-OD1 3.25Å; R302-D319 WeakPolarHBondContact CA-OD1 3.36Å; N303-D319 PolarHBondContact N-OD1 3.34Å; N304-D319 WeakPolarHBondContact ND2-CA 3.34Å; D319-W382 HydrophobicContact CB-CH2 3.51Å; D319-W382 HydrophobicContact CB-CZ2 3.64Å; D319-F383 WeakPolarHBondContact O-CZ 3.31Å
320S96.3Very high94.7Very high38 Ų3858.7 Ų58.727%0.26631%0.314SS..EExtended strand (participates in β ladder)trans-148.2178.9178.260.60000111.3L301 N304L301-S320 WeakPolarHBondContact CB-O 3.18Å; L301-S320 PolarHBondContact N-O 3.05Å; L301-S320 PolarHBondContact O-N 2.82Å; N304-S320 PolarHBondContact ND2-N 3Å; N304-S320 PolarHBondContact ND2-OG 2.79Å
321I98Very high94.9Very high59 Ų5953.1 Ų53.130%0.30330%0.295SS..EExtended strand (participates in β ladder)trans-72.9127179.8-57.5-177.2000109.1L351 N352 F383I321-L351 HydrophobicContact CG1-CG 4.17Å; I321-N352 HydrophobicContact CG2-CB 3.42Å; I321-N352 VanDerWaalsContact CG2-CB 3.42Å; I321-F383 HydrophobicContact CD1-CB 4.5Å; I321-F383 HydrophobicContact CG1-CD2 3.79Å; I321-F383 HydrophobicContact CG1-CE2 4.45Å
322N97.7Very high95.2Very high20 Ų2051 Ų5111%0.10728%0.281CS..  trans-82.1134.8166.6-165.5-25.9000109.3D242 V243 G299 L301 R324 N352D242-N322 PolarHBondContact O-ND2 2.85Å; V243-N322 WeakPolarHBondContact CG2-ND2 3.49Å; G299-N322 VanDerWaalsContact C-CB 3.46Å; G299-N322 WeakPolarHBondContact O-CA 3.39Å; G299-N322 WeakPolarHBondContact O-CB 3.45Å; G299-N322 PolarHBondContact O-N 3.22Å; L301-N322 HydrophobicContact CB-CB 4Å; N322-R324 WeakPolarHBondContact OD1-CB 3.37Å; N322-R324 PolarHBondContact OD1-N 2.85Å; N322-N352 PolarHBondContact O-ND2 3.17Å
323D95.7Very high95.6Very high110 Ų11048.2 Ų48.259%0.58827%0.267SS*.  trans-11320.8-176.273.9-27.5000112.7P325 R354D323-P325 WeakPolarHBondContact O-CD 3.45Å; D323-R354 VanDerWaalsContact CA-NH2 3.34Å; D323-R354 PolarHBondContact O-NH1 3.17Å; D323-R354 PolarHBondContact O-NH2 2.7Å
324R96.9Very high96Very high112 Ų11247.2 Ų47.242%0.42326%0.256SS..  trans-69.9126.9168-171.7159.2172.4177.22.7111.1V243 E269 N322 M326 R354V243-R324 VanDerWaalsContact CG1-CD 3.48Å; V243-R324 HydrophobicContact CG1-CG 4.23Å; V243-R324 HydrophobicContact CG2-CB 4.45Å; E269-R324 IonicContact OE1-CZ 2.8Å; E269-R324 IonicContact OE1-NH1 3.39Å; E269-R324 PolarHBondContact OE1-NH1 3.35Å; E269-R324 IonicContact OE1-NH2 2.92Å; E269-R324 PolarHBondContact OE1-NH2 3.26Å; N322-R324 WeakPolarHBondContact OD1-CB 3.37Å; N322-R324 PolarHBondContact OD1-N 2.85Å; R324-M326 PolarHBondContact O-N 2.87Å; R324-R354 PolarHBondContact O-NH2 2.97Å
325P97.2Very high96.3Very high102 Ų10247.1 Ų47.166%0.66226%0.257SS*.  trans-59136.1177.3-25.334.9000112.2D323D323-P325 WeakPolarHBondContact O-CD 3.45Å
326M97.4Very high96.9Very high6 Ų646.7 Ų46.73%0.0325%0.252CS..  trans-110.1-18.1-175.768.317776.100114.8V244 I298 R324 E328 E329 L330 C350 D355 L359V244-M326 HydrophobicContact CB-CB 4.28Å; V244-M326 HydrophobicContact CG2-CB 3.87Å; I298-M326 HydrophobicContact CB-CE 3.98Å; I298-M326 HydrophobicContact CB-SD 4.17Å; I298-M326 HydrophobicContact CD1-SD 3.99Å; I298-M326 HydrophobicContact CG2-CB 4.36Å; I298-M326 HydrophobicContact CG2-CE 3.4Å; I298-M326 HydrophobicContact CG2-SD 3.66Å; R324-M326 PolarHBondContact O-N 2.87Å; M326-E328 PolarHBondContact O-N 3.08Å; M326-E329 PolarHBondContact O-N 2.95Å; M326-L330 WeakPolarHBondContact O-CB 3.47Å; M326-L330 PolarHBondContact O-N 3.14Å; M326-L330 HydrophobicContact SD-CD2 4.36Å; M326-C350 HydrophobicContact CE-CB 4.07Å; M326-D355 HydrophobicContact CE-CB 3.89Å; M326-D355 HydrophobicContact SD-CB 4.4Å; M326-L359 HydrophobicContact SD-CD2 3.91Å
327A98.4Very high97.3Very high39 Ų3946 Ų4632%0.32225%0.247SC..Hα-helixtrans-56.4-51.2-162.900000114S331 V358 M362A327-S331 WeakPolarHBondContact O-CB 3.28Å; A327-S331 PolarHBondContact O-N 2.97Å; A327-V358 HydrophobicContact CB-CG1 3.64Å; A327-M362 WeakPolarHBondContact O-CE 3.45Å
328E98.5Very high97.6Very high128 Ų12848 Ų4860%0.59826%0.256SS*.Hα-helixtrans-65-48.7-174.7-173.5179.2167.600111.8M326 S331 K332M326-E328 PolarHBondContact O-N 3.08Å; E328-S331 WeakPolarHBondContact O-CB 3.47Å; E328-S331 PolarHBondContact O-N 3.19Å; E328-K332 WeakPolarHBondContact O-CG 3.25Å; E328-K332 PolarHBondContact O-N 3.18Å; E328-K332 WeakPolarHBondContact OE1-CE 3.4Å; E328-K332 IonicContact OE1-NZ 3.17Å; E328-K332 PolarHBondContact OE1-NZ 3.3Å
329E98.6Very high97.6Very high46 Ų4652 Ų5222%0.21528%0.275CS..Hα-helixtrans-70.7-36.9-176.7-57.1-61.2106.600111.5V244 F246 M326 K332 L333V244-E329 HydrophobicContact CB-CB 4.41Å; V244-E329 HydrophobicContact CG1-CB 3.99Å; F246-E329 VanDerWaalsContact CA-OE2 3.3Å; F246-E329 WeakPolarHBondContact CA-OE2 3.41Å; F246-E329 HydrophobicContact CB-CB 4.12Å; F246-E329 WeakPolarHBondContact CB-OE2 3.48Å; F246-E329 PolarHBondContact N-OE2 3.12Å; M326-E329 PolarHBondContact O-N 2.95Å; E329-K332 PolarHBondContact O-N 3.26Å; E329-K332 IonicContact OE1-NZ 3.36Å; E329-K332 PolarHBondContact OE1-NZ 2.92Å; E329-L333 WeakPolarHBondContact O-CB 3.5Å; E329-L333 PolarHBondContact O-N 2.88Å
330L98.8Very high97.4Very high0 Ų058.7 Ų58.70%031%0.307CS..Hα-helixtrans-64.3-42.7173-177.160.7000111.5V244 I298 M326 K332 L333 L334 L348 L359 M362V244-L330 HydrophobicContact CG1-CB 4.06Å; V244-L330 HydrophobicContact CG1-CD1 4.49Å; I298-L330 HydrophobicContact CD1-CD1 4.25Å; I298-L330 HydrophobicContact CD1-CD2 4.04Å; M326-L330 WeakPolarHBondContact O-CB 3.47Å; M326-L330 PolarHBondContact O-N 3.14Å; M326-L330 HydrophobicContact SD-CD2 4.36Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.47Å; L330-L333 PolarHBondContact O-N 2.98Å; L330-L334 HydrophobicContact CD1-CD1 4.04Å; L330-L334 HydrophobicContact CD1-CG 4.07Å; L330-L334 HydrophobicContact CG-CD1 4.01Å; L330-L334 HydrophobicContact CG-CG 4.41Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 WeakPolarHBondContact O-CG 3.21Å; L330-L334 PolarHBondContact O-N 3.19Å; L330-L348 HydrophobicContact CD2-CD1 4.31Å; L330-L359 HydrophobicContact CD2-CD2 3.5Å; L330-L359 VanDerWaalsContact CD2-CD2 3.5Å; L330-M362 HydrophobicContact CD2-CG 4.25Å; L330-M362 HydrophobicContact CG-CG 4.43Å
331S98.8Very high97.1Very high45 Ų4563 Ų6332%0.31533%0.326SS..Hα-helixtrans-59.2-46.1175.5-173.50000111.4A327 E328 S335A327-S331 WeakPolarHBondContact O-CB 3.28Å; A327-S331 PolarHBondContact O-N 2.97Å; E328-S331 WeakPolarHBondContact O-CB 3.47Å; E328-S331 PolarHBondContact O-N 3.19Å; S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.19Å
332K98.8Very high96.9Very high72 Ų7262.4 Ų62.431%0.31332%0.324SS..Hα-helixtrans-64.5-43178.7-68.8172.1-170.41580111.5F246 E328 E329 L330 S335 K336F246-K332 HydrophobicContact CB-CB 4.07Å; F246-K332 HydrophobicContact CB-CD 4.4Å; F246-K332 HydrophobicContact CD1-CB 3.51Å; F246-K332 HydrophobicContact CD1-CD 3.47Å; F246-K332 VanDerWaalsContact CD1-CD 3.47Å; F246-K332 HydrophobicContact CD1-CG 4.07Å; F246-K332 HydrophobicContact CD2-CB 3.65Å; F246-K332 HydrophobicContact CE1-CB 3.73Å; F246-K332 HydrophobicContact CE1-CD 3.94Å; F246-K332 HydrophobicContact CE1-CG 4.26Å; F246-K332 HydrophobicContact CE2-CB 3.86Å; F246-K332 WeakPolarHBondContact CE2-O 3.28Å; F246-K332 HydrophobicContact CG-CB 3.45Å; F246-K332 VanDerWaalsContact CG-CB 3.45Å; F246-K332 HydrophobicContact CG-CD 4.08Å; F246-K332 HydrophobicContact CG-CG 4.42Å; F246-K332 HydrophobicContact CZ-CB 3.89Å; E328-K332 WeakPolarHBondContact O-CG 3.25Å; E328-K332 PolarHBondContact O-N 3.18Å; E328-K332 WeakPolarHBondContact OE1-CE 3.4Å; E328-K332 IonicContact OE1-NZ 3.17Å; E328-K332 PolarHBondContact OE1-NZ 3.3Å; E329-K332 PolarHBondContact O-N 3.26Å; E329-K332 IonicContact OE1-NZ 3.36Å; E329-K332 PolarHBondContact OE1-NZ 2.92Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.47Å; K332-S335 PolarHBondContact O-N 3.17Å; K332-K336 WeakPolarHBondContact O-CB 3.38Å; K332-K336 PolarHBondContact O-N 2.99Å
333L98.8Very high96.8Very high0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-61.2-51.9177.817862.6000112.1F246 T277 L280 V281 Y296 E329 L330 S335 K336 Q337F246-L333 HydrophobicContact CD2-CB 4.18Å; T277-L333 HydrophobicContact CG2-CD1 4.45Å; L280-L333 HydrophobicContact CB-CD1 4.06Å; L280-L333 HydrophobicContact CD1-CD2 3.98Å; V281-L333 HydrophobicContact CG2-CD1 4.06Å; Y296-L333 HydrophobicContact CE2-CD2 4.15Å; E329-L333 WeakPolarHBondContact O-CB 3.5Å; E329-L333 PolarHBondContact O-N 2.88Å; L330-L333 PolarHBondContact O-N 2.98Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 3.36Å; L333-K336 PolarHBondContact O-N 2.97Å; L333-Q337 PolarHBondContact O-N 3.25Å
334L98.7Very high96.9Very high0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-64.5-39.7179.4-66.6175.7000111.5L330 K336 Q337 N338 L343 L348 M362 F366 M375L330-L334 HydrophobicContact CD1-CD1 4.04Å; L330-L334 HydrophobicContact CD1-CG 4.07Å; L330-L334 HydrophobicContact CG-CD1 4.01Å; L330-L334 HydrophobicContact CG-CG 4.41Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 WeakPolarHBondContact O-CG 3.21Å; L330-L334 PolarHBondContact O-N 3.19Å; L334-K336 VanDerWaalsContact C-N 3.31Å; L334-K336 PolarHBondContact O-N 3.25Å; L334-Q337 PolarHBondContact O-N 3.26Å; L334-N338 VanDerWaalsContact O-CB 3.32Å; L334-N338 WeakPolarHBondContact O-CB 3.29Å; L334-N338 PolarHBondContact O-N 3.12Å; L334-L343 HydrophobicContact CD2-CD1 3.85Å; L334-L348 HydrophobicContact CD1-CD1 4.07Å; L334-M362 HydrophobicContact CD1-CG 3.9Å; L334-F366 HydrophobicContact CB-CD1 4.47Å; L334-F366 HydrophobicContact CB-CD2 3.92Å; L334-F366 HydrophobicContact CB-CE1 4.13Å; L334-F366 HydrophobicContact CB-CE2 3.51Å; L334-F366 HydrophobicContact CB-CG 4.38Å; L334-F366 HydrophobicContact CB-CZ 3.63Å; L334-F366 HydrophobicContact CD1-CD2 3.85Å; L334-F366 HydrophobicContact CD1-CE2 3.79Å; L334-F366 HydrophobicContact CG-CE2 4.32Å; L334-M375 HydrophobicContact CD1-CE 4.37Å; L334-M375 HydrophobicContact CD2-CE 4.22Å
335S98.6Very high96.9Very high66 Ų6655.5 Ų55.546%0.46229%0.291SS..Hα-helixtrans-59.9-42.7173.8-172.50000111.5S331 K332 L333 N338 E339S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.19Å; K332-S335 PolarHBondContact O-N 3.17Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 3.36Å; S335-N338 PolarHBondContact O-N 3.4Å; S335-E339 PolarHBondContact O-N 3.22Å; S335-E339 VanDerWaalsContact O-N 3.09Å
336K98.6Very high97Very high62 Ų6250.7 Ų50.727%0.2726%0.26SS..Hα-helixtrans-67.8-40.3178.9-170.962.6178.1-177.40112.3F246 E248 V281 K332 L333 L334 N338 E339F246-K336 HydrophobicContact CE2-CB 3.9Å; F246-K336 HydrophobicContact CE2-CG 4.38Å; F246-K336 HydrophobicContact CZ-CB 4.41Å; E248-K336 WeakPolarHBondContact OE2-CE 3.32Å; E248-K336 IonicContact OE2-NZ 2.72Å; E248-K336 PolarHBondContact OE2-NZ 3.36Å; E248-K336 VanDerWaalsContact OE2-NZ 3.09Å; V281-K336 HydrophobicContact CG1-CG 4.25Å; V281-K336 HydrophobicContact CG2-CB 4.16Å; V281-K336 HydrophobicContact CG2-CG 3.74Å; K332-K336 WeakPolarHBondContact O-CB 3.38Å; K332-K336 PolarHBondContact O-N 2.99Å; L333-K336 PolarHBondContact O-N 2.97Å; L334-K336 VanDerWaalsContact C-N 3.31Å; L334-K336 PolarHBondContact O-N 3.25Å; K336-N338 PolarHBondContact O-N 2.89Å; K336-E339 WeakPolarHBondContact CD-OE2 3.48Å; K336-E339 WeakPolarHBondContact CE-OE2 3.32Å; K336-E339 IonicContact NZ-OE2 2.91Å; K336-E339 PolarHBondContact NZ-OE2 3.5Å; K336-E339 PolarHBondContact O-N 3.35Å
337Q98.1Very high97Very high6 Ų651 Ų513%0.02826%0.262CS..Hα-helixtrans-62.4-32.3173-74.8-179-26.500112.2L280 V281 Q294 Y296 L333 L334 L342 L343L280-Q337 PolarHBondContact O-NE2 2.91Å; V281-Q337 HydrophobicContact CG2-CG 4.32Å; Q294-Q337 VanDerWaalsContact NE2-OE1 3.09Å; Y296-Q337 PolarHBondContact OH-NE2 2.79Å; L333-Q337 PolarHBondContact O-N 3.25Å; L334-Q337 PolarHBondContact O-N 3.26Å; Q337-L342 CarbonylContact O-C 3.52Å; Q337-L343 HydrophobicContact CB-CB 4.33Å; Q337-L343 HydrophobicContact CB-CD1 3.79Å; Q337-L343 PolarHBondContact O-N 2.85Å; Q337-L343 VanDerWaalsContact O-N 3.09Å; Q337-L343 VanDerWaalsContact OE1-CD1 3.29Å
338N96.6Very high97Very high51 Ų5149.2 Ų49.227%0.27325%0.247SC..Hα-helixtrans-88.8-8.8-176.6-160.657.8000114.7L334 S335 K336 E340 N341 L343 F366L334-N338 VanDerWaalsContact O-CB 3.32Å; L334-N338 WeakPolarHBondContact O-CB 3.29Å; L334-N338 PolarHBondContact O-N 3.12Å; S335-N338 PolarHBondContact O-N 3.4Å; K336-N338 PolarHBondContact O-N 2.89Å; N338-E340 VanDerWaalsContact C-N 3.25Å; N338-E340 PolarHBondContact O-N 2.93Å; N338-N341 PolarHBondContact O-N 3Å; N338-L343 HydrophobicContact CB-CB 3.81Å; N338-L343 HydrophobicContact CB-CD2 4.11Å; N338-L343 WeakPolarHBondContact OD1-CB 3.27Å; N338-F366 HydrophobicContact CB-CD1 4.28Å
339E94.1Very high97Very high124 Ų12443.2 Ų43.258%0.57922%0.219SC*.THydrogen-bonded Turntrans-53.4-41.9-174.3-172.3167.5-139.100112.4S335 K336S335-E339 PolarHBondContact O-N 3.22Å; S335-E339 VanDerWaalsContact O-N 3.09Å; K336-E339 WeakPolarHBondContact CD-OE2 3.48Å; K336-E339 WeakPolarHBondContact CE-OE2 3.32Å; K336-E339 IonicContact NZ-OE2 2.91Å; K336-E339 PolarHBondContact NZ-OE2 3.5Å; K336-E339 PolarHBondContact O-N 3.35Å
340E90.2Very high97Very high147 Ų14741.2 Ų41.269%0.68721%0.21SC*.THydrogen-bonded Turntrans-101.221.3178.4-61.3-63.8155.100112.8N338 L342N338-E340 VanDerWaalsContact C-N 3.25Å; N338-E340 PolarHBondContact O-N 2.93Å; E340-L342 HydrophobicContact CB-CD1 3.97Å; E340-L342 HydrophobicContact CB-CG 4.15Å; E340-L342 PolarHBondContact O-N 3.09Å
341N90.1Very high96.9Very high127 Ų12741.2 Ų41.268%0.67921%0.21SC*.THydrogen-bonded Turntrans55.435.4-171.7-166.231.4000113.2N338N338-N341 PolarHBondContact O-N 3Å
342L94.2Very high96.9Very high47 Ų4740 Ų4025%0.24620%0.2CC..  trans-108.917-178.1-71.2175.9000113.2A285 A288 Q337 E340 P344A285-L342 HydrophobicContact CB-CB 4.19Å; A285-L342 HydrophobicContact CB-CD1 3.98Å; A288-L342 HydrophobicContact CB-CD2 4.33Å; A288-L342 VanDerWaalsContact CB-O 3.22Å; A288-L342 WeakPolarHBondContact CB-O 3.4Å; Q337-L342 CarbonylContact O-C 3.52Å; E340-L342 HydrophobicContact CB-CD1 3.97Å; E340-L342 HydrophobicContact CB-CG 4.15Å; E340-L342 PolarHBondContact O-N 3.09Å; L342-P344 WeakPolarHBondContact O-CD 3.44Å
343L96.5Very high96.8Very high4 Ų437.9 Ų37.92%0.02119%0.193CC..  trans-76.5116.9170.1178.369000109.2L334 Q337 N338 F366 K374 M375L334-L343 HydrophobicContact CD2-CD1 3.85Å; Q337-L343 HydrophobicContact CB-CB 4.33Å; Q337-L343 HydrophobicContact CB-CD1 3.79Å; Q337-L343 PolarHBondContact O-N 2.85Å; Q337-L343 VanDerWaalsContact O-N 3.09Å; Q337-L343 VanDerWaalsContact OE1-CD1 3.29Å; N338-L343 HydrophobicContact CB-CB 3.81Å; N338-L343 HydrophobicContact CB-CD2 4.11Å; N338-L343 WeakPolarHBondContact OD1-CB 3.27Å; L343-F366 HydrophobicContact CD2-CB 3.65Å; L343-F366 HydrophobicContact CD2-CD1 4.14Å; L343-F366 HydrophobicContact CD2-CG 4.04Å; L343-K374 WeakPolarHBondContact O-CE 3.39Å; L343-K374 PolarHBondContact O-NZ 2.9Å; L343-M375 HydrophobicContact CD2-CE 3.97Å; L343-M375 HydrophobicContact CD2-SD 3.78Å; L343-M375 HydrophobicContact CG-SD 4.26Å
344P96.9Very high96.6Very high6 Ų642.8 Ų42.84%0.03921%0.212CC..  trans-70.8174.3178.931.1-37.9000112.1G284 Y287 A288 Q294 L342 T346G284-P344 WeakPolarHBondContact O-CD 3.2Å; Y287-P344 HydrophobicContact CD2-CG 4.48Å; A288-P344 HydrophobicContact CB-CB 4.25Å; Q294-P344 HydrophobicContact CB-CG 3.72Å; L342-P344 WeakPolarHBondContact O-CD 3.44Å; P344-T346 PolarHBondContact O-N 3.27Å; P344-T346 PolarHBondContact O-OG1 3.22Å
345K96.9Very high96.6Very high88 Ų8843.3 Ų43.338%0.38322%0.215SC..EExtended strand (participates in β ladder)trans-53127.7161.6-72.2179.3-68.3177.70108.4V293 Q294 M371 K374V293-K345 CarbonylContact C-O 3.59Å; V293-K345 WeakPolarHBondContact CA-O 3.08Å; V293-K345 HydrophobicContact CG1-CB 4.46Å; V293-K345 HydrophobicContact CG2-CB 4.03Å; V293-K345 HydrophobicContact CG2-CD 4.41Å; Q294-K345 PolarHBondContact N-O 3.37Å; K345-M371 HydrophobicContact CD-SD 3.79Å; K345-M371 HydrophobicContact CG-SD 3.4Å; K345-M371 WeakPolarHBondContact CG-SD 3.22Å; K345-K374 WeakPolarHBondContact CA-O 3.49Å
346T98.6Very high96.6Very high1 Ų140.6 Ų40.61%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-133.7136.2-170.9-58.40000111.5Q294 P344 L348 K374 M375 Q376Q294-T346 HydrophobicContact CB-CG2 4.35Å; Q294-T346 HydrophobicContact CG-CG2 4.36Å; Q294-T346 CarbonylContact O-C 3.6Å; Q294-T346 VanDerWaalsContact O-CA 3.23Å; Q294-T346 WeakPolarHBondContact O-CA 3.18Å; P344-T346 PolarHBondContact O-N 3.27Å; P344-T346 PolarHBondContact O-OG1 3.22Å; T346-L348 HydrophobicContact CG2-CD2 3.66Å; T346-L348 HydrophobicContact CG2-CG 4.15Å; T346-K374 PolarHBondContact N-O 2.91Å; T346-M375 HydrophobicContact CG2-CE 3.94Å; T346-M375 CarbonylContact O-C 3.44Å; T346-M375 WeakPolarHBondContact O-CA 3.49Å; T346-Q376 PolarHBondContact O-N 2.95Å
347I98.5Very high96.6Very high13 Ų1341.8 Ų41.87%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-114.7127.2171.3-42.7176.8000108.7Y32 V293 Q294 Q295 Y296 Y349 Q376 G378 V407Y32-I347 HydrophobicContact CE2-CD1 4.07Å; V293-I347 HydrophobicContact CG1-CD1 4.08Å; V293-I347 HydrophobicContact CG1-CG1 3.96Å; Q294-I347 PolarHBondContact O-N 3.26Å; Q295-I347 WeakPolarHBondContact CA-O 3.23Å; Q295-I347 HydrophobicContact CG-CB 4.2Å; Q295-I347 HydrophobicContact CG-CD1 4.18Å; Q295-I347 HydrophobicContact CG-CG1 4.36Å; Y296-I347 PolarHBondContact N-O 3.07Å; I347-Y349 HydrophobicContact CB-CE2 3.96Å; I347-Y349 HydrophobicContact CG2-CD2 4.37Å; I347-Y349 HydrophobicContact CG2-CE1 4.17Å; I347-Y349 HydrophobicContact CG2-CE2 3.59Å; I347-Y349 VanDerWaalsContact CG2-CZ 3.46Å; I347-Y349 WeakPolarHBondContact CG2-OH 3.46Å; I347-Q376 WeakPolarHBondContact CA-O 3.36Å; I347-Q376 HydrophobicContact CB-CB 4.21Å; I347-Q376 HydrophobicContact CG1-CB 4.01Å; I347-Q376 HydrophobicContact CG1-CG 4.44Å; I347-Q376 HydrophobicContact CG2-CB 3.9Å; I347-G378 VanDerWaalsContact CG2-CA 3.5Å; I347-V407 HydrophobicContact CD1-CG2 4.12Å
348L98.7Very high96.6Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-112127.5-179.6-56.7176.8000110.1Y296 L330 L334 T346 L359 I363 Q376 G378Y296-L348 HydrophobicContact CD2-CD2 3.74Å; Y296-L348 HydrophobicContact CG-CD2 4.27Å; L330-L348 HydrophobicContact CD2-CD1 4.31Å; L334-L348 HydrophobicContact CD1-CD1 4.07Å; T346-L348 HydrophobicContact CG2-CD2 3.66Å; T346-L348 HydrophobicContact CG2-CG 4.15Å; L348-L359 HydrophobicContact CB-CD1 3.89Å; L348-L359 HydrophobicContact CB-CD2 4.23Å; L348-L359 HydrophobicContact CD1-CD2 4.25Å; L348-I363 HydrophobicContact CD1-CG2 3.85Å; L348-I363 HydrophobicContact CG-CG2 4.47Å; L348-Q376 PolarHBondContact N-O 2.88Å; L348-G378 PolarHBondContact O-N 3.11Å
349Y98.4Very high96.6Very high2 Ų240.8 Ų40.81%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-117.3135.3175.3-51.5-97.6000109.8Y32 Q295 Y296 H297 I298 I347 G378 W381 L410Y32-Y349 WeakPolarHBondContact CE2-OH 3.5Å; Q295-Y349 HydrophobicContact CB-CE2 4.09Å; Q295-Y349 HydrophobicContact CG-CE2 4.36Å; Q295-Y349 PolarHBondContact OE1-OH 2.85Å; Y296-Y349 PolarHBondContact O-N 2.92Å; H297-Y349 AromaticContact CD2-CD2 3.57Å; H297-Y349 AromaticContact CD2-CG 3.59Å; H297-Y349 AromaticContact CE1-CD2 3.87Å; H297-Y349 AromaticContact CE1-CE2 3.88Å; H297-Y349 AromaticContact NE2-CD2 3.45Å; H297-Y349 WeakPolarHBondContact NE2-CD2 3.48Å; H297-Y349 AromaticContact NE2-CE2 3.68Å; H297-Y349 AromaticContact NE2-CG 3.66Å; I298-Y349 WeakPolarHBondContact CB-O 3.48Å; I298-Y349 PolarHBondContact N-O 3.3Å; I347-Y349 HydrophobicContact CB-CE2 3.96Å; I347-Y349 HydrophobicContact CG2-CD2 4.37Å; I347-Y349 HydrophobicContact CG2-CE1 4.17Å; I347-Y349 HydrophobicContact CG2-CE2 3.59Å; I347-Y349 VanDerWaalsContact CG2-CZ 3.46Å; I347-Y349 WeakPolarHBondContact CG2-OH 3.46Å; Y349-G378 VanDerWaalsContact CE1-CA 3.43Å; Y349-W381 HydrophobicContact CD1-CB 4.21Å; Y349-L410 HydrophobicContact CE1-CD2 3.7Å; Y349-L410 WeakPolarHBondContact OH-CD2 3.26Å
350C97.9Very high96.8Very high5 Ų534.9 Ų34.93%0.03417%0.17CC..EExtended strand (participates in β ladder)trans-114.4132.6171.7550000110.7M326 D355 N356 L359M326-C350 HydrophobicContact CE-CB 4.07Å; C350-D355 HydrophobicContact CB-CB 3.99Å; C350-N356 PolarHBondContact SG-OD1 3.08Å; C350-L359 HydrophobicContact CB-CD1 3.56Å; C350-L359 HydrophobicContact CB-CG 4.15Å
351L97.6Very high97.1Very high0 Ų031.6 Ų31.60%016%0.16CC..SBendtrans-78.1-28.6174.6-164.755.7000112.3I298 G299 A300 I321 P353 W381 W382 F383 N384I298-L351 PolarHBondContact O-N 3.5Å; G299-L351 WeakPolarHBondContact O-CB 3.49Å; G299-L351 WeakPolarHBondContact O-CD2 3.42Å; A300-L351 HydrophobicContact CB-CD2 4.04Å; I321-L351 HydrophobicContact CG1-CG 4.17Å; L351-P353 WeakPolarHBondContact O-CD 3.4Å; L351-W381 HydrophobicContact CB-CE3 3.87Å; L351-W381 HydrophobicContact CB-CH2 4.33Å; L351-W381 HydrophobicContact CB-CZ3 3.57Å; L351-W381 HydrophobicContact CD1-CD2 4.23Å; L351-W381 HydrophobicContact CD1-CE3 3.99Å; L351-W381 HydrophobicContact CD1-CZ3 4.19Å; L351-W381 HydrophobicContact CG-CE3 4.48Å; L351-W381 HydrophobicContact CG-CZ3 4.29Å; L351-W382 HydrophobicContact CD1-CB 3.56Å; L351-W382 HydrophobicContact CD1-CD2 4Å; L351-W382 HydrophobicContact CD1-CE3 3.77Å; L351-W382 HydrophobicContact CD1-CG 3.92Å; L351-W382 HydrophobicContact CD2-CD2 4.28Å; L351-W382 HydrophobicContact CD2-CE3 3.53Å; L351-W382 HydrophobicContact CD2-CZ3 3.85Å; L351-W382 HydrophobicContact CG-CE3 4.31Å; L351-F383 HydrophobicContact CD1-CB 4.39Å; L351-F383 HydrophobicContact CD1-CD2 3.73Å; L351-F383 HydrophobicContact CD1-CE2 4.49Å; L351-F383 HydrophobicContact CD1-CG 4.45Å; L351-F383 HydrophobicContact CD2-CD2 4.01Å; L351-F383 HydrophobicContact CD2-CE2 4.11Å; L351-F383 HydrophobicContact CG-CD2 3.99Å; L351-N384 PolarHBondContact O-ND2 2.94Å
352N97.7Very high97.5Very high20 Ų2026.2 Ų26.211%0.10713%0.131CC..SBendtrans-89.8114.8177.8-164.5-31.3000109.8I321 N322 R354 D355I321-N352 HydrophobicContact CG2-CB 3.42Å; I321-N352 VanDerWaalsContact CG2-CB 3.42Å; N322-N352 PolarHBondContact O-ND2 3.17Å; N352-R354 HydrophobicContact CB-CG 4.4Å; N352-R354 PolarHBondContact ND2-NE 2.87Å; N352-R354 PolarHBondContact O-N 2.99Å; N352-R354 VanDerWaalsContact O-N 3.08Å; N352-R354 WeakPolarHBondContact OD1-CD 3.38Å; N352-R354 VanDerWaalsContact OD1-CG 3.27Å; N352-R354 WeakPolarHBondContact OD1-CG 3.44Å; N352-R354 PolarHBondContact OD1-N 3.24Å; N352-D355 WeakPolarHBondContact CB-OD2 3.37Å; N352-D355 WeakPolarHBondContact O-CB 3.43Å; N352-D355 PolarHBondContact O-N 2.72Å
353P96.4Very high97.7Very high26 Ų2624.1 Ų24.117%0.16912%0.12CC..G310 helixtrans-65.9-14.2-175.826.2-35.2000114L351 D355 N356L351-P353 WeakPolarHBondContact O-CD 3.4Å; P353-D355 PolarHBondContact O-N 2.91Å; P353-N356 WeakPolarHBondContact O-CB 3.35Å; P353-N356 VanDerWaalsContact O-CG 3.3Å; P353-N356 PolarHBondContact O-N 3.33Å
354R96.2Very high97.7Very high103 Ų10326.2 Ų26.239%0.38914%0.142SC..G310 helixtrans-64.2-21.8171.483.8-170.5174.5-179.7-3.2112.6D323 R324 N352D323-R354 VanDerWaalsContact CA-NH2 3.34Å; D323-R354 PolarHBondContact O-NH1 3.17Å; D323-R354 PolarHBondContact O-NH2 2.7Å; R324-R354 PolarHBondContact O-NH2 2.97Å; N352-R354 HydrophobicContact CB-CG 4.4Å; N352-R354 PolarHBondContact ND2-NE 2.87Å; N352-R354 PolarHBondContact O-N 2.99Å; N352-R354 VanDerWaalsContact O-N 3.08Å; N352-R354 WeakPolarHBondContact OD1-CD 3.38Å; N352-R354 VanDerWaalsContact OD1-CG 3.27Å; N352-R354 WeakPolarHBondContact OD1-CG 3.44Å; N352-R354 PolarHBondContact OD1-N 3.24Å
355D98.1Very high97.7Very high12 Ų1231.2 Ų31.26%0.06417%0.169CC..G310 helixtrans-95.45.3-174.3-62.8-49.9000111M326 C350 N352 P353 V358 L359M326-D355 HydrophobicContact CE-CB 3.89Å; M326-D355 HydrophobicContact SD-CB 4.4Å; C350-D355 HydrophobicContact CB-CB 3.99Å; N352-D355 WeakPolarHBondContact CB-OD2 3.37Å; N352-D355 WeakPolarHBondContact O-CB 3.43Å; N352-D355 PolarHBondContact O-N 2.72Å; P353-D355 PolarHBondContact O-N 2.91Å; D355-V358 HydrophobicContact CB-CB 4.29Å; D355-V358 WeakPolarHBondContact O-CB 3.38Å; D355-V358 PolarHBondContact O-N 3Å; D355-L359 PolarHBondContact O-N 2.81Å
356N98.2Very high97.7Very high9 Ų927.8 Ų27.85%0.04815%0.154CC..Hα-helixtrans-58.3-50.4174.7-75.7-1.2000111.2C350 P353 V358 L359 G360 F377 Q396C350-N356 PolarHBondContact SG-OD1 3.08Å; P353-N356 WeakPolarHBondContact O-CB 3.35Å; P353-N356 VanDerWaalsContact O-CG 3.3Å; P353-N356 PolarHBondContact O-N 3.33Å; N356-V358 VanDerWaalsContact C-N 3.29Å; N356-V358 PolarHBondContact O-N 3.05Å; N356-L359 PolarHBondContact O-N 2.69Å; N356-G360 PolarHBondContact O-N 3.29Å; N356-F377 HydrophobicContact CB-CE1 4.22Å; N356-F377 HydrophobicContact CB-CZ 3.84Å; N356-Q396 HydrophobicContact CB-CB 4.38Å; N356-Q396 HydrophobicContact CB-CG 4.01Å
357E97.9Very high97.5Very high86 Ų8631.8 Ų31.840%0.40217%0.173SC..Hα-helixtrans-67.3-32.7177.4-67.982.5171.500111.5T361 Q396 L400E357-T361 WeakPolarHBondContact O-CB 3.28Å; E357-T361 WeakPolarHBondContact O-CG2 3.45Å; E357-T361 PolarHBondContact O-N 3.18Å; E357-T361 PolarHBondContact O-OG1 3.34Å; E357-Q396 HydrophobicContact CG-CG 4.2Å; E357-L400 HydrophobicContact CB-CD1 4.29Å; E357-L400 HydrophobicContact CG-CD1 4.39Å
358V98.3Very high96.6Very high36 Ų3632.5 Ų32.522%0.21818%0.183CC..Hα-helixtrans-62.2-50.3174.3175.90000109.8A327 D355 N356 T361 M362A327-V358 HydrophobicContact CB-CG1 3.64Å; D355-V358 HydrophobicContact CB-CB 4.29Å; D355-V358 WeakPolarHBondContact O-CB 3.38Å; D355-V358 PolarHBondContact O-N 3Å; N356-V358 VanDerWaalsContact C-N 3.29Å; N356-V358 PolarHBondContact O-N 3.05Å; V358-T361 PolarHBondContact O-OG1 2.81Å; V358-T361 VanDerWaalsContact O-OG1 3.07Å; V358-M362 WeakPolarHBondContact O-CB 3.37Å; V358-M362 PolarHBondContact O-N 3.11Å
359L98.3Very high95.4Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-68.8-42.2177.6-67.4-166.1000112.3M326 L330 L348 C350 D355 N356 T361 M362 I363 F377M326-L359 HydrophobicContact SD-CD2 3.91Å; L330-L359 HydrophobicContact CD2-CD2 3.5Å; L330-L359 VanDerWaalsContact CD2-CD2 3.5Å; L348-L359 HydrophobicContact CB-CD1 3.89Å; L348-L359 HydrophobicContact CB-CD2 4.23Å; L348-L359 HydrophobicContact CD1-CD2 4.25Å; C350-L359 HydrophobicContact CB-CD1 3.56Å; C350-L359 HydrophobicContact CB-CG 4.15Å; D355-L359 PolarHBondContact O-N 2.81Å; N356-L359 PolarHBondContact O-N 2.69Å; L359-T361 VanDerWaalsContact C-N 3.29Å; L359-T361 PolarHBondContact O-N 3.3Å; L359-M362 PolarHBondContact O-N 2.86Å; L359-M362 VanDerWaalsContact O-N 3.1Å; L359-I363 WeakPolarHBondContact O-CG2 3.28Å; L359-I363 PolarHBondContact O-N 2.76Å; L359-F377 HydrophobicContact CB-CD2 4Å; L359-F377 HydrophobicContact CB-CE2 4.14Å; L359-F377 HydrophobicContact CD1-CD2 4.18Å; L359-F377 HydrophobicContact CD1-CE2 4.09Å
360G96.8Very high94.1Very high1 Ų146 Ų461%0.0127%0.268CS..Hα-helixtrans-57.3-40.9178.500000112.6N356 I363N356-G360 PolarHBondContact O-N 3.29Å; G360-I363 VanDerWaalsContact O-CG1 3.26Å; G360-I363 WeakPolarHBondContact O-CG1 3.39Å
361T98.1Very high93.1Very high78 Ų7849.9 Ų49.948%0.47929%0.286SS..Hα-helixtrans-75.8-37.2172.854.30000112.8E357 V358 L359 I363 G364 L400E357-T361 WeakPolarHBondContact O-CB 3.28Å; E357-T361 WeakPolarHBondContact O-CG2 3.45Å; E357-T361 PolarHBondContact O-N 3.18Å; E357-T361 PolarHBondContact O-OG1 3.34Å; V358-T361 PolarHBondContact O-OG1 2.81Å; V358-T361 VanDerWaalsContact O-OG1 3.07Å; L359-T361 VanDerWaalsContact C-N 3.29Å; L359-T361 PolarHBondContact O-N 3.3Å; T361-I363 PolarHBondContact O-N 2.84Å; T361-G364 PolarHBondContact O-N 3.4Å; T361-L400 HydrophobicContact CG2-CD1 4.09Å; T361-L400 HydrophobicContact CG2-CD2 4.07Å
362M98.4Very high92.3Very high13 Ų1354.1 Ų54.16%0.06431%0.314CS..Hα-helixtrans-61-44.1-179.1-170.464.966.800112.9A327 L330 L334 V358 L359 G364 N365 F366A327-M362 WeakPolarHBondContact O-CE 3.45Å; L330-M362 HydrophobicContact CD2-CG 4.25Å; L330-M362 HydrophobicContact CG-CG 4.43Å; L334-M362 HydrophobicContact CD1-CG 3.9Å; V358-M362 WeakPolarHBondContact O-CB 3.37Å; V358-M362 PolarHBondContact O-N 3.11Å; L359-M362 PolarHBondContact O-N 2.86Å; L359-M362 VanDerWaalsContact O-N 3.1Å; M362-G364 PolarHBondContact O-N 2.68Å; M362-N365 WeakPolarHBondContact O-CB 3.42Å; M362-N365 PolarHBondContact O-N 2.79Å; M362-N365 VanDerWaalsContact O-N 3.15Å; M362-F366 HydrophobicContact CG-CE2 4.45Å; M362-F366 WeakPolarHBondContact O-CD2 3.31Å; M362-F366 HydrophobicContact SD-CE2 3.97Å
363I97.6Very high91.8Very high4 Ų454.1 Ų54.12%0.02132%0.319CS..Hα-helixtrans-62.8-28.7-177.859.3162.8000112.4L348 L359 G360 T361 N365 F366 M375 F377 L397L348-I363 HydrophobicContact CD1-CG2 3.85Å; L348-I363 HydrophobicContact CG-CG2 4.47Å; L359-I363 WeakPolarHBondContact O-CG2 3.28Å; L359-I363 PolarHBondContact O-N 2.76Å; G360-I363 VanDerWaalsContact O-CG1 3.26Å; G360-I363 WeakPolarHBondContact O-CG1 3.39Å; T361-I363 PolarHBondContact O-N 2.84Å; I363-N365 PolarHBondContact O-N 3.22Å; I363-F366 PolarHBondContact O-N 2.83Å; I363-M375 HydrophobicContact CB-CB 3.77Å; I363-M375 HydrophobicContact CG2-CB 4.13Å; I363-F377 HydrophobicContact CD1-CB 3.91Å; I363-L397 HydrophobicContact CD1-CD1 4.42Å
364G96.3Very high91.6Very high47 Ų4753.8 Ų53.849%0.48532%0.315SS..Hα-helixtrans-63.7-28.8177.800000113.2T361 M362 F366T361-G364 PolarHBondContact O-N 3.4Å; M362-G364 PolarHBondContact O-N 2.68Å; G364-F366 PolarHBondContact O-N 3.2Å
365N96.9Very high91.7Very high111 Ų11149 Ų4959%0.59430%0.297SS*.THydrogen-bonded Turntrans-70.1-18.6-179.9-62.5-34.8000113.6M362 I363M362-N365 WeakPolarHBondContact O-CB 3.42Å; M362-N365 PolarHBondContact O-N 2.79Å; M362-N365 VanDerWaalsContact O-N 3.15Å; I363-N365 PolarHBondContact O-N 3.22Å
366F96.6Very high91.6Very high17 Ų1749 Ų498%0.07530%0.296CS..THydrogen-bonded Turntrans-13018.5-166.8-58.1-71.8000114.2L334 N338 L343 M362 I363 G364 M375L334-F366 HydrophobicContact CB-CD1 4.47Å; L334-F366 HydrophobicContact CB-CD2 3.92Å; L334-F366 HydrophobicContact CB-CE1 4.13Å; L334-F366 HydrophobicContact CB-CE2 3.51Å; L334-F366 HydrophobicContact CB-CG 4.38Å; L334-F366 HydrophobicContact CB-CZ 3.63Å; L334-F366 HydrophobicContact CD1-CD2 3.85Å; L334-F366 HydrophobicContact CD1-CE2 3.79Å; L334-F366 HydrophobicContact CG-CE2 4.32Å; N338-F366 HydrophobicContact CB-CD1 4.28Å; L343-F366 HydrophobicContact CD2-CB 3.65Å; L343-F366 HydrophobicContact CD2-CD1 4.14Å; L343-F366 HydrophobicContact CD2-CG 4.04Å; M362-F366 HydrophobicContact CG-CE2 4.45Å; M362-F366 WeakPolarHBondContact O-CD2 3.31Å; M362-F366 HydrophobicContact SD-CE2 3.97Å; I363-F366 PolarHBondContact O-N 2.83Å; G364-F366 PolarHBondContact O-N 3.2Å; F366-M375 VanDerWaalsContact C-CG 3.47Å; F366-M375 HydrophobicContact CB-CE 4.07Å; F366-M375 HydrophobicContact CB-CG 3.82Å; F366-M375 HydrophobicContact CB-SD 4.17Å; F366-M375 WeakPolarHBondContact O-CG 3.36Å
367Q94.9Very high91.6Very high84 Ų8448.7 Ų48.739%0.39330%0.295SS..  trans-61.5161.2171.9-62.8-63.1-7.100111.5M375Q367-M375 PolarHBondContact NE2-O 3.29Å; Q367-M375 VanDerWaalsContact OE1-N 3.11Å
368G78.5Confident91.5Very high28 Ų2844.6 Ų44.629%0.28928%0.275SS..BIsolated β-bridgetrans-126.5144.6-174.600000113.9M371G368-M371 PolarHBondContact O-N 3.06Å
369E74.1Confident91.3Very high205 Ų20543.1 Ų43.196%0.95827%0.267SS*.THydrogen-bonded Turntrans-58.1135.6173.7-173.1-179.8179.400111.2M371E369-M371 PolarHBondContact O-N 2.87Å; E369-M371 VanDerWaalsContact O-N 3.09Å
370G72.4Confident91Very high80 Ų8043.4 Ų43.483%0.82527%0.27SS*.THydrogen-bonded Turntrans68.34.5177.100000115.7
371M75.8Confident90.9Very high87 Ų8744 Ų4443%0.42927%0.272SS..BIsolated β-bridgetrans-130.680-177.9-167.2179.5-6100110.9K345 G368 E369 G373 K374K345-M371 HydrophobicContact CD-SD 3.79Å; K345-M371 HydrophobicContact CG-SD 3.4Å; K345-M371 WeakPolarHBondContact CG-SD 3.22Å; G368-M371 PolarHBondContact O-N 3.06Å; E369-M371 PolarHBondContact O-N 2.87Å; E369-M371 VanDerWaalsContact O-N 3.09Å; M371-G373 PolarHBondContact O-N 2.95Å; M371-K374 HydrophobicContact CB-CB 4.36Å; M371-K374 HydrophobicContact CG-CB 4.16Å; M371-K374 PolarHBondContact O-N 3.24Å; M371-K374 VanDerWaalsContact O-N 3.08Å; M371-K374 HydrophobicContact SD-CB 4.07Å; M371-K374 HydrophobicContact SD-CG 3.97Å
372P81.7Confident90.7Very high90 Ų9041.4 Ų41.458%0.58425%0.253SS*.THydrogen-bonded Turntrans-53.1124.4179.7-25.434.4000111.3R405P372-R405 HydrophobicContact CB-CG 4.37Å
373G85.8Confident90.5Very high20 Ų2043.2 Ų43.221%0.20626%0.26CS..THydrogen-bonded Turntrans67.935.7-179.800000114.2M371 M375 Q376M371-G373 PolarHBondContact O-N 2.95Å; G373-M375 PolarHBondContact O-N 2.94Å; G373-Q376 WeakPolarHBondContact O-CG 3.46Å; G373-Q376 PolarHBondContact O-NE2 3.3Å
374K92.2Very high90.4Very high18 Ų1843.5 Ų43.58%0.07826%0.262CS..SBendtrans-49.1-42171177.8-176174.9-173.70111.6L343 K345 T346 M371L343-K374 WeakPolarHBondContact O-CE 3.39Å; L343-K374 PolarHBondContact O-NZ 2.9Å; K345-K374 WeakPolarHBondContact CA-O 3.49Å; T346-K374 PolarHBondContact N-O 2.91Å; M371-K374 HydrophobicContact CB-CB 4.36Å; M371-K374 HydrophobicContact CG-CB 4.16Å; M371-K374 PolarHBondContact O-N 3.24Å; M371-K374 VanDerWaalsContact O-N 3.08Å; M371-K374 HydrophobicContact SD-CB 4.07Å; M371-K374 HydrophobicContact SD-CG 3.97Å
375M97.9Very high90.2Very high2 Ų241.6 Ų41.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-107.6123.8175.9-54.5-62.3-69.300109.4L334 L343 T346 I363 F366 Q367 G373L334-M375 HydrophobicContact CD1-CE 4.37Å; L334-M375 HydrophobicContact CD2-CE 4.22Å; L343-M375 HydrophobicContact CD2-CE 3.97Å; L343-M375 HydrophobicContact CD2-SD 3.78Å; L343-M375 HydrophobicContact CG-SD 4.26Å; T346-M375 HydrophobicContact CG2-CE 3.94Å; T346-M375 CarbonylContact O-C 3.44Å; T346-M375 WeakPolarHBondContact O-CA 3.49Å; I363-M375 HydrophobicContact CB-CB 3.77Å; I363-M375 HydrophobicContact CG2-CB 4.13Å; F366-M375 VanDerWaalsContact C-CG 3.47Å; F366-M375 HydrophobicContact CB-CE 4.07Å; F366-M375 HydrophobicContact CB-CG 3.82Å; F366-M375 HydrophobicContact CB-SD 4.17Å; F366-M375 WeakPolarHBondContact O-CG 3.36Å; Q367-M375 PolarHBondContact NE2-O 3.29Å; Q367-M375 VanDerWaalsContact OE1-N 3.11Å; G373-M375 PolarHBondContact O-N 2.94Å
376Q97.2Very high90.1Very high12 Ų1238.2 Ų38.26%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-114.1137.3-176.2-68.2-72.7-39.400110.5T346 I347 L348 G373 R405 V407T346-Q376 PolarHBondContact O-N 2.95Å; I347-Q376 WeakPolarHBondContact CA-O 3.36Å; I347-Q376 HydrophobicContact CB-CB 4.21Å; I347-Q376 HydrophobicContact CG1-CB 4.01Å; I347-Q376 HydrophobicContact CG1-CG 4.44Å; I347-Q376 HydrophobicContact CG2-CB 3.9Å; L348-Q376 PolarHBondContact N-O 2.88Å; G373-Q376 WeakPolarHBondContact O-CG 3.46Å; G373-Q376 PolarHBondContact O-NE2 3.3Å; Q376-R405 PolarHBondContact NE2-O 3.1Å; Q376-R405 PolarHBondContact OE1-O 3.43Å; Q376-V407 HydrophobicContact CG-CG1 3.94Å; Q376-V407 HydrophobicContact CG-CG2 4.2Å
377F97.2Very high90Very high3 Ų339.8 Ų39.81%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-85.7111.7161.3177.1-155.1000107.3N356 L359 I363 Q393 Q396 L397 F406N356-F377 HydrophobicContact CB-CE1 4.22Å; N356-F377 HydrophobicContact CB-CZ 3.84Å; L359-F377 HydrophobicContact CB-CD2 4Å; L359-F377 HydrophobicContact CB-CE2 4.14Å; L359-F377 HydrophobicContact CD1-CD2 4.18Å; L359-F377 HydrophobicContact CD1-CE2 4.09Å; I363-F377 HydrophobicContact CD1-CB 3.91Å; F377-Q393 HydrophobicContact CD1-CG 4.34Å; F377-Q393 HydrophobicContact CE1-CB 4.44Å; F377-Q393 HydrophobicContact CE1-CG 3.74Å; F377-Q393 HydrophobicContact CE2-CG 4.15Å; F377-Q393 HydrophobicContact CZ-CB 4.35Å; F377-Q393 HydrophobicContact CZ-CG 3.63Å; F377-Q393 PolarHBondContact O-NE2 3.13Å; F377-Q396 HydrophobicContact CE1-CB 4.18Å; F377-L397 HydrophobicContact CB-CD1 4.2Å; F377-L397 HydrophobicContact CD1-CB 4.01Å; F377-F406 WeakPolarHBondContact O-CE2 3.43Å
378G95.8Very high90Very high0 Ų039.2 Ų39.20%023%0.228CC..  trans-62.8163.8-174.600000113.6I347 L348 Y349 Q393I347-G378 VanDerWaalsContact CG2-CA 3.5Å; L348-G378 PolarHBondContact O-N 3.11Å; Y349-G378 VanDerWaalsContact CE1-CA 3.43Å; G378-Q393 VanDerWaalsContact O-CD 3.24Å; G378-Q393 VanDerWaalsContact O-CG 3.32Å; G378-Q393 WeakPolarHBondContact O-CG 2.94Å; G378-Q393 PolarHBondContact O-NE2 3.38Å
379S94.2Very high90.9Very high6 Ų637.9 Ų37.94%0.04222%0.215CC..  trans-60.1162.6179570000112.9W381S379-W381 PolarHBondContact O-N 2.79Å
380G93.2Very high92Very high5 Ų528.2 Ų28.25%0.05217%0.169CC..  trans-51.7113.4170.600000110.9D385G380-D385 WeakPolarHBondContact O-CA 3.46Å; G380-D385 VanDerWaalsContact O-CB 3.3Å; G380-D385 WeakPolarHBondContact O-CB 3.45Å
381W94Very high93.2Very high14 Ų1426.6 Ų26.65%0.05314%0.14CC..  trans-105.3136.8-170.4172.452.4000112.4H297 I298 Y349 L351 S379 F383 N384 D412H297-W381 HydrophobicContact CB-CE3 4.42Å; H297-W381 HydrophobicContact CB-CH2 3.6Å; H297-W381 HydrophobicContact CB-CZ2 3.71Å; H297-W381 HydrophobicContact CB-CZ3 3.94Å; H297-W381 AromaticContact CD2-CD1 3.74Å; H297-W381 AromaticContact CD2-CD2 3.54Å; H297-W381 AromaticContact CD2-CE2 3.4Å; H297-W381 VanDerWaalsContact CD2-CE2 3.4Å; H297-W381 AromaticContact CD2-CG 3.83Å; H297-W381 AromaticContact CD2-CZ2 3.88Å; H297-W381 AromaticContact CD2-NE1 3.5Å; I298-W381 WeakPolarHBondContact O-CZ3 3.43Å; Y349-W381 HydrophobicContact CD1-CB 4.21Å; L351-W381 HydrophobicContact CB-CE3 3.87Å; L351-W381 HydrophobicContact CB-CH2 4.33Å; L351-W381 HydrophobicContact CB-CZ3 3.57Å; L351-W381 HydrophobicContact CD1-CD2 4.23Å; L351-W381 HydrophobicContact CD1-CE3 3.99Å; L351-W381 HydrophobicContact CD1-CZ3 4.19Å; L351-W381 HydrophobicContact CG-CE3 4.48Å; L351-W381 HydrophobicContact CG-CZ3 4.29Å; S379-W381 PolarHBondContact O-N 2.79Å; W381-F383 PolarHBondContact O-N 2.89Å; W381-N384 PolarHBondContact O-N 2.91Å; W381-D412 PolarHBondContact NE1-OD2 2.79Å
382W93Very high94.2Very high24 Ų2426.9 Ų26.99%0.09114%0.136CC..G310 helixtrans54.1-90.4169.6-173.99.7000115.7Y60 A300 D319 L351 N384Y60-W382 AromaticContact CE1-CD1 3.7Å; Y60-W382 AromaticContact CZ-CD1 3.74Å; A300-W382 HydrophobicContact CB-CH2 4.38Å; A300-W382 HydrophobicContact CB-CZ3 3.63Å; D319-W382 HydrophobicContact CB-CH2 3.51Å; D319-W382 HydrophobicContact CB-CZ2 3.64Å; L351-W382 HydrophobicContact CD1-CB 3.56Å; L351-W382 HydrophobicContact CD1-CD2 4Å; L351-W382 HydrophobicContact CD1-CE3 3.77Å; L351-W382 HydrophobicContact CD1-CG 3.92Å; L351-W382 HydrophobicContact CD2-CD2 4.28Å; L351-W382 HydrophobicContact CD2-CE3 3.53Å; L351-W382 HydrophobicContact CD2-CZ3 3.85Å; L351-W382 HydrophobicContact CG-CE3 4.31Å; W382-N384 PolarHBondContact O-N 2.95Å
383F94.4Very high95Very high50 Ų5022.8 Ų22.822%0.21911%0.11CC..G310 helixtrans-77.6-11175.6-63.2-61.8000112.8D319 I321 L351 W381D319-F383 WeakPolarHBondContact O-CZ 3.31Å; I321-F383 HydrophobicContact CD1-CB 4.5Å; I321-F383 HydrophobicContact CG1-CD2 3.79Å; I321-F383 HydrophobicContact CG1-CE2 4.45Å; L351-F383 HydrophobicContact CD1-CB 4.39Å; L351-F383 HydrophobicContact CD1-CD2 3.73Å; L351-F383 HydrophobicContact CD1-CE2 4.49Å; L351-F383 HydrophobicContact CD1-CG 4.45Å; L351-F383 HydrophobicContact CD2-CD2 4.01Å; L351-F383 HydrophobicContact CD2-CE2 4.11Å; L351-F383 HydrophobicContact CG-CD2 3.99Å; W381-F383 PolarHBondContact O-N 2.89Å
384N95.7Very high95.5Very high10 Ų1021.8 Ų21.85%0.05310%0.1CC..G310 helixtrans-109.66.1-178.3-54.4-67.7000113.4L351 W381 W382 Q386 G389 M390L351-N384 PolarHBondContact O-ND2 2.94Å; W381-N384 PolarHBondContact O-N 2.91Å; W382-N384 PolarHBondContact O-N 2.95Å; N384-Q386 PolarHBondContact O-N 3.01Å; N384-Q386 VanDerWaalsContact O-N 3.14Å; N384-G389 CarbonylContact O-C 3.59Å; N384-G389 VanDerWaalsContact O-C 3.26Å; N384-G389 VanDerWaalsContact O-CA 3.26Å; N384-G389 WeakPolarHBondContact O-CA 3.31Å; N384-M390 PolarHBondContact O-N 3.38Å
385D93.2Very high95.8Very high7 Ų723 Ų234%0.03711%0.108CC..  trans-7914.4176.375.4-17.2000113.4W103 G380 M390 M409 R421W103-D385 VanDerWaalsContact CH2-OD1 3.29Å; W103-D385 WeakPolarHBondContact CH2-OD1 3.34Å; W103-D385 VanDerWaalsContact CH2-OD2 3.28Å; W103-D385 WeakPolarHBondContact CH2-OD2 3.27Å; W103-D385 WeakPolarHBondContact CZ2-O 3.46Å; G380-D385 WeakPolarHBondContact O-CA 3.46Å; G380-D385 VanDerWaalsContact O-CB 3.3Å; G380-D385 WeakPolarHBondContact O-CB 3.45Å; D385-M390 HydrophobicContact CB-CE 4.43Å; D385-M390 WeakPolarHBondContact O-CE 3.5Å; D385-M409 HydrophobicContact CB-CE 4.17Å; D385-R421 IonicContact OD2-CZ 3.63Å; D385-R421 IonicContact OD2-NH1 3.68Å; D385-R421 PolarHBondContact OD2-NH1 3.28Å
386Q93.8Very high95.7Very high40 Ų4024.2 Ų24.219%0.18711%0.114CC..SBendtrans-94.8166.9174.453.274.313.200110.9P99 N384 D388 G389 M390P99-Q386 HydrophobicContact CB-CB 3.83Å; P99-Q386 HydrophobicContact CG-CB 3.71Å; N384-Q386 PolarHBondContact O-N 3.01Å; N384-Q386 VanDerWaalsContact O-N 3.14Å; Q386-D388 PolarHBondContact NE2-OD2 2.82Å; Q386-D388 PolarHBondContact O-N 3.42Å; Q386-G389 VanDerWaalsContact CD-N 3.26Å; Q386-G389 PolarHBondContact O-N 3.08Å; Q386-G389 VanDerWaalsContact OE1-N 3.13Å; Q386-M390 WeakPolarHBondContact O-CG 3.35Å; Q386-M390 PolarHBondContact O-N 3.39Å
387K95.4Very high95.7Very high50 Ų5023.8 Ų23.822%0.21711%0.112CC..Hα-helixtrans-50.9-54.9-170.4175.3172176.6170.30113.8L10 G389 M390 E391 Y424 I428L10-K387 HydrophobicContact CD2-CD 4.13Å; K387-G389 VanDerWaalsContact C-N 3.29Å; K387-G389 PolarHBondContact O-N 3.17Å; K387-M390 PolarHBondContact O-N 2.9Å; K387-E391 WeakPolarHBondContact CE-OE1 3.48Å; K387-E391 HydrophobicContact CG-CG 4.44Å; K387-E391 IonicContact NZ-OE1 3.27Å; K387-E391 WeakPolarHBondContact O-CB 3.38Å; K387-E391 VanDerWaalsContact O-CG 3.32Å; K387-E391 WeakPolarHBondContact O-CG 3.3Å; K387-E391 PolarHBondContact O-N 3.04Å; K387-Y424 HydrophobicContact CB-CE1 4.25Å; K387-Y424 WeakPolarHBondContact CB-OH 3.02Å; K387-I428 HydrophobicContact CB-CD1 4.05Å; K387-I428 HydrophobicContact CG-CD1 4.08Å; K387-I428 HydrophobicContact CG-CG1 4.28Å
388D95.5Very high95.6Very high72 Ų7225.2 Ų25.239%0.38512%0.124SC..Hα-helixtrans-64.8-34.9-179.3154.290.5000111.7Q386 E391 R392Q386-D388 PolarHBondContact NE2-OD2 2.82Å; Q386-D388 PolarHBondContact O-N 3.42Å; D388-E391 PolarHBondContact O-N 3.25Å; D388-R392 WeakPolarHBondContact O-CB 3.39Å; D388-R392 VanDerWaalsContact O-CG 3.3Å; D388-R392 WeakPolarHBondContact O-CG 3.37Å; D388-R392 PolarHBondContact O-N 2.89Å; D388-R392 PolarHBondContact O-NE 3.06Å; D388-R392 IonicContact OD1-NE 2.6Å; D388-R392 PolarHBondContact OD1-NE 3.35Å; D388-R392 IonicContact OD2-CZ 3.45Å; D388-R392 IonicContact OD2-NE 2.97Å; D388-R392 PolarHBondContact OD2-NE 3.14Å; D388-R392 IonicContact OD2-NH2 3.62Å; D388-R392 PolarHBondContact OD2-NH2 3.12Å
389G97.1Very high95.6Very high1 Ų131.7 Ų31.71%0.0116%0.155CC..Hα-helixtrans-68-43.5177.500000112.2N384 Q386 K387 R392 Q393N384-G389 CarbonylContact O-C 3.59Å; N384-G389 VanDerWaalsContact O-C 3.26Å; N384-G389 VanDerWaalsContact O-CA 3.26Å; N384-G389 WeakPolarHBondContact O-CA 3.31Å; Q386-G389 VanDerWaalsContact CD-N 3.26Å; Q386-G389 PolarHBondContact O-N 3.08Å; Q386-G389 VanDerWaalsContact OE1-N 3.13Å; K387-G389 VanDerWaalsContact C-N 3.29Å; K387-G389 PolarHBondContact O-N 3.17Å; G389-R392 PolarHBondContact O-N 3.49Å; G389-Q393 WeakPolarHBondContact O-CB 3.33Å; G389-Q393 PolarHBondContact O-N 3.22Å
390M96.9Very high95.7Very high1 Ų134.8 Ų34.81%0.00517%0.171CC..Hα-helixtrans-62.8-45.3172.7-69.9172.7169.400111.7N384 D385 Q386 K387 Q393 M394 M409 Y424 F425 I428N384-M390 PolarHBondContact O-N 3.38Å; D385-M390 HydrophobicContact CB-CE 4.43Å; D385-M390 WeakPolarHBondContact O-CE 3.5Å; Q386-M390 WeakPolarHBondContact O-CG 3.35Å; Q386-M390 PolarHBondContact O-N 3.39Å; K387-M390 PolarHBondContact O-N 2.9Å; M390-Q393 PolarHBondContact O-N 3.45Å; M390-M394 HydrophobicContact CB-CE 4.32Å; M390-M394 WeakPolarHBondContact O-CB 3.44Å; M390-M394 WeakPolarHBondContact O-CG 3.41Å; M390-M394 PolarHBondContact O-N 3.45Å; M390-M409 HydrophobicContact CE-CE 3.38Å; M390-M409 HydrophobicContact CE-SD 3.85Å; M390-Y424 HydrophobicContact CE-CD1 4.48Å; M390-Y424 HydrophobicContact SD-CD1 4.14Å; M390-F425 HydrophobicContact CE-CB 4.3Å; M390-F425 HydrophobicContact SD-CB 4.4Å; M390-I428 HydrophobicContact CB-CD1 4.5Å; M390-I428 HydrophobicContact SD-CD1 3.6Å; M390-I428 VanDerWaalsContact SD-CD1 3.6Å
391E97.3Very high95.7Very high46 Ų4635.8 Ų35.822%0.21518%0.18CC..Hα-helixtrans-60.6-46.8177.3-75.2174.1158.200111.2K387 D388 T395 I428K387-E391 WeakPolarHBondContact CE-OE1 3.48Å; K387-E391 HydrophobicContact CG-CG 4.44Å; K387-E391 IonicContact NZ-OE1 3.27Å; K387-E391 WeakPolarHBondContact O-CB 3.38Å; K387-E391 VanDerWaalsContact O-CG 3.32Å; K387-E391 WeakPolarHBondContact O-CG 3.3Å; K387-E391 PolarHBondContact O-N 3.04Å; D388-E391 PolarHBondContact O-N 3.25Å; E391-T395 VanDerWaalsContact O-CB 3.25Å; E391-T395 WeakPolarHBondContact O-CB 3.12Å; E391-T395 PolarHBondContact O-N 2.67Å; E391-T395 PolarHBondContact O-OG1 2.85Å; E391-I428 HydrophobicContact CG-CG2 3.64Å
392R97.4Very high95.5Very high93 Ų9340.6 Ų40.635%0.35121%0.206SC..Hα-helixtrans-62.3-46.1176.7-75.1-174.2-70.5152.80.1111.8D388 G389 T395 Q396D388-R392 WeakPolarHBondContact O-CB 3.39Å; D388-R392 VanDerWaalsContact O-CG 3.3Å; D388-R392 WeakPolarHBondContact O-CG 3.37Å; D388-R392 PolarHBondContact O-N 2.89Å; D388-R392 PolarHBondContact O-NE 3.06Å; D388-R392 IonicContact OD1-NE 2.6Å; D388-R392 PolarHBondContact OD1-NE 3.35Å; D388-R392 IonicContact OD2-CZ 3.45Å; D388-R392 IonicContact OD2-NE 2.97Å; D388-R392 PolarHBondContact OD2-NE 3.14Å; D388-R392 IonicContact OD2-NH2 3.62Å; D388-R392 PolarHBondContact OD2-NH2 3.12Å; G389-R392 PolarHBondContact O-N 3.49Å; R392-T395 PolarHBondContact O-N 3.32Å; R392-Q396 WeakPolarHBondContact O-CG 3.43Å; R392-Q396 PolarHBondContact O-N 2.92Å; R392-Q396 VanDerWaalsContact O-N 3.09Å
393Q97.7Very high95.5Very high4 Ų440.2 Ų40.22%0.01921%0.206CC..Hα-helixtrans-60.3-52.8178.6179.6-82.7-38.600111.5F377 G378 G389 M390 T395 Q396 L397F377-Q393 HydrophobicContact CD1-CG 4.34Å; F377-Q393 HydrophobicContact CE1-CB 4.44Å; F377-Q393 HydrophobicContact CE1-CG 3.74Å; F377-Q393 HydrophobicContact CE2-CG 4.15Å; F377-Q393 HydrophobicContact CZ-CB 4.35Å; F377-Q393 HydrophobicContact CZ-CG 3.63Å; F377-Q393 PolarHBondContact O-NE2 3.13Å; G378-Q393 VanDerWaalsContact O-CD 3.24Å; G378-Q393 VanDerWaalsContact O-CG 3.32Å; G378-Q393 WeakPolarHBondContact O-CG 2.94Å; G378-Q393 PolarHBondContact O-NE2 3.38Å; G389-Q393 WeakPolarHBondContact O-CB 3.33Å; G389-Q393 PolarHBondContact O-N 3.22Å; M390-Q393 PolarHBondContact O-N 3.45Å; Q393-T395 VanDerWaalsContact C-N 3.31Å; Q393-T395 PolarHBondContact O-N 3.39Å; Q393-Q396 PolarHBondContact O-N 3.18Å; Q393-L397 PolarHBondContact O-N 3.2Å
394M97.2Very high95.3Very high0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-64.7-35.3-179.3-70-172.4-68.500112.2M390 L397 A398 L403 F425 I428 L429 M432M390-M394 HydrophobicContact CB-CE 4.32Å; M390-M394 WeakPolarHBondContact O-CB 3.44Å; M390-M394 WeakPolarHBondContact O-CG 3.41Å; M390-M394 PolarHBondContact O-N 3.45Å; M394-L397 PolarHBondContact O-N 2.79Å; M394-A398 VanDerWaalsContact O-CB 3.31Å; M394-A398 WeakPolarHBondContact O-CB 3.4Å; M394-A398 PolarHBondContact O-N 3.36Å; M394-L403 HydrophobicContact CB-CD1 4.29Å; M394-L403 HydrophobicContact CG-CD1 4.34Å; M394-F425 HydrophobicContact CE-CE2 4.39Å; M394-F425 HydrophobicContact CG-CE2 4.43Å; M394-F425 HydrophobicContact SD-CD2 4.32Å; M394-F425 HydrophobicContact SD-CE2 3.5Å; M394-F425 WeakPolarHBondContact SD-CE2 3.28Å; M394-F425 HydrophobicContact SD-CZ 4.12Å; M394-I428 HydrophobicContact CE-CB 4.45Å; M394-I428 HydrophobicContact CE-CG2 3.69Å; M394-L429 HydrophobicContact CE-CB 4.47Å; M394-L429 HydrophobicContact SD-CB 4.13Å; M394-L429 HydrophobicContact SD-CD1 3.79Å; M394-M432 HydrophobicContact CB-CE 3.81Å; M394-M432 HydrophobicContact CB-SD 3.82Å; M394-M432 HydrophobicContact CE-SD 4.11Å
395T96.9Very high95Very high42 Ų4246.6 Ų46.626%0.25824%0.237SC..Hα-helixtrans-62.1-46.2175.6-60.80000111E391 R392 Q393 A398 Q399E391-T395 VanDerWaalsContact O-CB 3.25Å; E391-T395 WeakPolarHBondContact O-CB 3.12Å; E391-T395 PolarHBondContact O-N 2.67Å; E391-T395 PolarHBondContact O-OG1 2.85Å; R392-T395 PolarHBondContact O-N 3.32Å; Q393-T395 VanDerWaalsContact C-N 3.31Å; Q393-T395 PolarHBondContact O-N 3.39Å; T395-A398 PolarHBondContact O-N 2.66Å; T395-Q399 WeakPolarHBondContact O-CG 3.25Å; T395-Q399 PolarHBondContact O-N 3.45Å
396Q97.4Very high95Very high28 Ų2847.7 Ų47.713%0.13124%0.241CC..Hα-helixtrans-68.2-38177.8-62.4-42.7-49.400112.2N356 E357 F377 R392 Q393 A398 Q399 L400N356-Q396 HydrophobicContact CB-CB 4.38Å; N356-Q396 HydrophobicContact CB-CG 4.01Å; E357-Q396 HydrophobicContact CG-CG 4.2Å; F377-Q396 HydrophobicContact CE1-CB 4.18Å; R392-Q396 WeakPolarHBondContact O-CG 3.43Å; R392-Q396 PolarHBondContact O-N 2.92Å; R392-Q396 VanDerWaalsContact O-N 3.09Å; Q393-Q396 PolarHBondContact O-N 3.18Å; Q396-A398 VanDerWaalsContact C-N 3.32Å; Q396-A398 PolarHBondContact O-N 3.5Å; Q396-Q399 PolarHBondContact O-N 3.04Å; Q396-L400 WeakPolarHBondContact O-CB 3.23Å; Q396-L400 PolarHBondContact O-N 3.23Å
397L96Very high94.9Very high4 Ų449.2 Ų49.22%0.02125%0.253CS..Hα-helixtrans-61.3-40.3171.9175.256.9000111.9I363 F377 Q393 M394 G401 L402 L403 F406I363-L397 HydrophobicContact CD1-CD1 4.42Å; F377-L397 HydrophobicContact CB-CD1 4.2Å; F377-L397 HydrophobicContact CD1-CB 4.01Å; Q393-L397 PolarHBondContact O-N 3.2Å; M394-L397 PolarHBondContact O-N 2.79Å; L397-G401 CarbonylContact O-C 3.52Å; L397-G401 WeakPolarHBondContact O-CA 3.47Å; L397-G401 PolarHBondContact O-N 3.02Å; L397-L402 PolarHBondContact O-N 3.12Å; L397-L403 HydrophobicContact CD2-CD1 4.1Å; L397-F406 HydrophobicContact CD2-CB 3.76Å; L397-F406 HydrophobicContact CD2-CD1 4.32Å; L397-F406 HydrophobicContact CD2-CD2 3.36Å; L397-F406 HydrophobicContact CD2-CE2 4.01Å; L397-F406 HydrophobicContact CD2-CG 3.56Å
398A95Very high94.5Very high32 Ų3247.5 Ų47.526%0.26425%0.25SC..Hα-helixtrans-68-36177.900000112.8M394 T395 Q396 L403 W436M394-A398 VanDerWaalsContact O-CB 3.31Å; M394-A398 WeakPolarHBondContact O-CB 3.4Å; M394-A398 PolarHBondContact O-N 3.36Å; T395-A398 PolarHBondContact O-N 2.66Å; Q396-A398 VanDerWaalsContact C-N 3.32Å; Q396-A398 PolarHBondContact O-N 3.5Å; A398-L403 HydrophobicContact CB-CB 4.02Å; A398-L403 HydrophobicContact CB-CD2 4.25Å; A398-W436 HydrophobicContact CB-CH2 3.7Å; A398-W436 HydrophobicContact CB-CZ2 4.24Å
399Q96.1Very high94.3Very high137 Ų13744.5 Ų44.564%0.6423%0.233SC*.Hα-helixtrans-81.1-34.2-178.1-72.2-178.9-4.900113.6T395 Q396T395-Q399 WeakPolarHBondContact O-CG 3.25Å; T395-Q399 PolarHBondContact O-N 3.45Å; Q396-Q399 PolarHBondContact O-N 3.04Å
400L96.2Very high94.2Very high71 Ų7144.6 Ų44.637%0.37223%0.234SC..Hα-helixtrans-110.9-12.3-172.1-58.2170.3000113.3E357 T361 Q396E357-L400 HydrophobicContact CB-CD1 4.29Å; E357-L400 HydrophobicContact CG-CD1 4.39Å; T361-L400 HydrophobicContact CG2-CD1 4.09Å; T361-L400 HydrophobicContact CG2-CD2 4.07Å; Q396-L400 WeakPolarHBondContact O-CB 3.23Å; Q396-L400 PolarHBondContact O-N 3.23Å
401G93Very high94Very high25 Ų2544.8 Ų44.826%0.25824%0.235SC..SBendtrans-138.6-144.4178.600000111.5L397L397-G401 CarbonylContact O-C 3.52Å; L397-G401 WeakPolarHBondContact O-CA 3.47Å; L397-G401 PolarHBondContact O-N 3.02Å
402L91.6Very high93.8Very high115 Ų11543.4 Ų43.460%0.60223%0.229SC*.  trans-129102.7179.9-65.2176.2000110.4L397 S404 R405L397-L402 PolarHBondContact O-N 3.12Å; L402-S404 PolarHBondContact O-N 2.63Å; L402-R405 HydrophobicContact CB-CB 4.25Å; L402-R405 HydrophobicContact CB-CG 4.11Å; L402-R405 HydrophobicContact CD1-CG 4.26Å; L402-R405 PolarHBondContact O-N 2.82Å
403L92.7Very high93.5Very high16 Ų1639.3 Ų39.38%0.08422%0.215CC..G310 helixtrans-60.4-32177-17763000112.4M394 L397 A398 R405 F406 L429 M432 W436 M452M394-L403 HydrophobicContact CB-CD1 4.29Å; M394-L403 HydrophobicContact CG-CD1 4.34Å; L397-L403 HydrophobicContact CD2-CD1 4.1Å; A398-L403 HydrophobicContact CB-CB 4.02Å; A398-L403 HydrophobicContact CB-CD2 4.25Å; L403-R405 PolarHBondContact O-N 3.32Å; L403-R405 VanDerWaalsContact O-N 3.15Å; L403-F406 HydrophobicContact CD1-CB 4.17Å; L403-F406 HydrophobicContact CD1-CD1 4.24Å; L403-F406 HydrophobicContact CD1-CG 4.44Å; L403-F406 WeakPolarHBondContact O-CB 3.36Å; L403-F406 PolarHBondContact O-N 3.38Å; L403-L429 HydrophobicContact CD1-CD1 4.4Å; L403-L429 HydrophobicContact CD2-CD1 4.03Å; L403-L429 HydrophobicContact CG-CD1 4.47Å; L403-M432 HydrophobicContact CD2-CE 4.09Å; L403-W436 HydrophobicContact CD2-CH2 3.8Å; L403-W436 HydrophobicContact CD2-CZ3 3.92Å; L403-M452 HydrophobicContact CB-CE 4.44Å; L403-M452 HydrophobicContact CD2-CE 4.37Å; L403-M452 HydrophobicContact CG-CE 4.22Å
404S89.4Confident93.3Very high56 Ų5643 Ų4339%0.39223%0.228SC..G310 helixtrans-65.8-11.7175.857.90000114.3L402L402-S404 PolarHBondContact O-N 2.63Å
405R90.2Very high93.1Very high138 Ų13843.5 Ų43.552%0.52123%0.232SC..G310 helixtrans-110.411.4175-58.5-58.4-174.2-174.4-2112.4P372 Q376 L402 L403P372-R405 HydrophobicContact CB-CG 4.37Å; Q376-R405 PolarHBondContact NE2-O 3.1Å; Q376-R405 PolarHBondContact OE1-O 3.43Å; L402-R405 HydrophobicContact CB-CB 4.25Å; L402-R405 HydrophobicContact CB-CG 4.11Å; L402-R405 HydrophobicContact CD1-CG 4.26Å; L402-R405 PolarHBondContact O-N 2.82Å; L403-R405 PolarHBondContact O-N 3.32Å; L403-R405 VanDerWaalsContact O-N 3.15Å
406F92.8Very high93Very high30 Ų3041.7 Ų41.713%0.13222%0.221CC..  trans-67.8135.3-179.9-175.5-139.6000111.1F377 L397 L403 G408 F425F377-F406 WeakPolarHBondContact O-CE2 3.43Å; L397-F406 HydrophobicContact CD2-CB 3.76Å; L397-F406 HydrophobicContact CD2-CD1 4.32Å; L397-F406 HydrophobicContact CD2-CD2 3.36Å; L397-F406 HydrophobicContact CD2-CE2 4.01Å; L397-F406 HydrophobicContact CD2-CG 3.56Å; L403-F406 HydrophobicContact CD1-CB 4.17Å; L403-F406 HydrophobicContact CD1-CD1 4.24Å; L403-F406 HydrophobicContact CD1-CG 4.44Å; L403-F406 WeakPolarHBondContact O-CB 3.36Å; L403-F406 PolarHBondContact O-N 3.38Å; F406-G408 WeakPolarHBondContact CZ-O 3.45Å; F406-G408 PolarHBondContact O-N 2.96Å; F406-F425 HydrophobicContact CD1-CZ 4.02Å; F406-F425 AromaticContact CE1-CE2 3.75Å; F406-F425 HydrophobicContact CE1-CE2 3.75Å; F406-F425 AromaticContact CE1-CZ 3.56Å; F406-F425 HydrophobicContact CE1-CZ 3.56Å
407V90.5Very high93Very high73 Ų7340.5 Ų40.544%0.44222%0.215SC..  trans-78.5-5.3179.7-650000114I347 Q376I347-V407 HydrophobicContact CD1-CG2 4.12Å; Q376-V407 HydrophobicContact CG-CG1 3.94Å; Q376-V407 HydrophobicContact CG-CG2 4.2Å
408G88.8Confident92.9Very high14 Ų1440.3 Ų40.314%0.14421%0.214CC..  trans85.5-166.7175.500000114.3Y32 F406Y32-G408 PolarHBondContact OH-O 3.3Å; F406-G408 WeakPolarHBondContact CZ-O 3.45Å; F406-G408 PolarHBondContact O-N 2.96Å
409M90.7Very high92.9Very high8 Ų839 Ų394%0.03920%0.202CC..  trans-89.1150.4-172.7-176.667.917800112.4D385 M390 H422 F425D385-M409 HydrophobicContact CB-CE 4.17Å; M390-M409 HydrophobicContact CE-CE 3.38Å; M390-M409 HydrophobicContact CE-SD 3.85Å; M409-H422 PolarHBondContact O-CE1 3.12Å; M409-H422 PolarHBondContact O-ND1 3.12Å; M409-F425 HydrophobicContact CB-CB 3.95Å; M409-F425 HydrophobicContact CB-CD1 3.67Å; M409-F425 HydrophobicContact CB-CD2 4.02Å; M409-F425 HydrophobicContact CB-CE1 4.2Å; M409-F425 HydrophobicContact CB-CE2 4.5Å; M409-F425 HydrophobicContact CB-CG 3.58Å; M409-F425 HydrophobicContact CG-CB 3.99Å; M409-F425 HydrophobicContact CG-CG 4.13Å
410L93.7Very high92.9Very high4 Ų432.4 Ų32.42%0.02117%0.172CC..  trans-121.9161.1164.963.188.8000109.3D31 Y32 H33 Y349 D412D31-L410 WeakPolarHBondContact OD1-CA 3.45Å; Y32-L410 HydrophobicContact CD1-CB 4.47Å; Y32-L410 HydrophobicContact CD2-CB 4.22Å; Y32-L410 HydrophobicContact CD2-CD2 3.98Å; Y32-L410 HydrophobicContact CE1-CB 4.12Å; Y32-L410 HydrophobicContact CE2-CB 3.88Å; Y32-L410 HydrophobicContact CE2-CD2 3.22Å; Y32-L410 HydrophobicContact CE2-CG 4.13Å; H33-L410 HydrophobicContact CB-CB 4.23Å; H33-L410 HydrophobicContact CB-CD1 4.06Å; H33-L410 HydrophobicContact CB-CD2 3.85Å; H33-L410 HydrophobicContact CB-CG 4.25Å; Y349-L410 HydrophobicContact CE1-CD2 3.7Å; Y349-L410 WeakPolarHBondContact OH-CD2 3.26Å; L410-D412 HydrophobicContact CD1-CB 3.46Å; L410-D412 VanDerWaalsContact CD1-CB 3.46Å; L410-D412 VanDerWaalsContact CD1-N 3.27Å
411T93.1Very high92.8Very high4 Ų429 Ų293%0.02515%0.154CC..  trans-84.5-33.9-178.365.80000114.4D31 S413 Y419 H422D31-T411 PolarHBondContact OD1-N 3.26Å; D31-T411 PolarHBondContact OD1-OG1 3.03Å; D31-T411 WeakPolarHBondContact OD2-CB 3.31Å; D31-T411 VanDerWaalsContact OD2-CG2 3.23Å; D31-T411 WeakPolarHBondContact OD2-CG2 3.32Å; D31-T411 PolarHBondContact OD2-OG1 3.06Å; T411-S413 PolarHBondContact O-N 3.2Å; T411-S413 VanDerWaalsContact O-N 3.17Å; T411-S413 PolarHBondContact OG1-N 2.84Å; T411-Y419 HydrophobicContact CG2-CD1 4.3Å; T411-H422 WeakPolarHBondContact CG2-NE2 3.28Å
412D93.2Very high92.9Very high18 Ų1828.2 Ų28.210%0.09614%0.144CC..  trans45.741.4-169-168.819.4000112H33 H35 W381 L410H33-D412 IonicContact CD2-OD1 3.2Å; H33-D412 IonicContact NE2-OD1 3.17Å; H33-D412 PolarHBondContact NE2-OD1 3.4Å; H33-D412 PolarHBondContact O-N 3.42Å; H33-D412 VanDerWaalsContact O-N 3.09Å; H35-D412 IonicContact CD2-OD1 2.65Å; H35-D412 PolarHBondContact CD2-OD1 2.85Å; H35-D412 IonicContact NE2-OD1 2.84Å; H35-D412 PolarHBondContact NE2-OD1 3.46Å; W381-D412 PolarHBondContact NE1-OD2 2.79Å; L410-D412 HydrophobicContact CD1-CB 3.46Å; L410-D412 VanDerWaalsContact CD1-CB 3.46Å; L410-D412 VanDerWaalsContact CD1-N 3.27Å
413S92Very high93Very high7 Ų723.6 Ų23.65%0.04912%0.119CC..  trans-120.9155.1-169.9-173.70000112.6H35 L36 T411 S415 S418H35-S413 CarbonylContact C-O 3.51Å; H35-S413 WeakPolarHBondContact CA-O 3.4Å; H35-S413 PolarHBondContact N-O 2.84Å; L36-S413 PolarHBondContact N-O 2.94Å; T411-S413 PolarHBondContact O-N 3.2Å; T411-S413 VanDerWaalsContact O-N 3.17Å; T411-S413 PolarHBondContact OG1-N 2.84Å; S413-S415 PolarHBondContact OG-N 2.79Å; S413-S415 VanDerWaalsContact OG-N 3.08Å; S413-S418 VanDerWaalsContact CB-CB 3.49Å; S413-S418 WeakPolarHBondContact CB-OG 3.38Å; S413-S418 VanDerWaalsContact OG-CB 3.3Å; S413-S418 WeakPolarHBondContact OG-CB 3.44Å; S413-S418 PolarHBondContact OG-OG 3.33Å
414R92.1Very high93.2Very high80 Ų8023 Ų2330%0.30212%0.116SC..SBendtrans-94.6-0.1170.4-66.1173178.877.3-1.2112.5H35 H59 D315H35-R414 HydrophobicContact CB-CG 3.53Å; H59-R414 PolarHBondContact NE2-NH1 2.81Å; D315-R414 IonicContact OD2-NH2 2.63Å
415S94.2Very high93.5Very high12 Ų1221 Ų218%0.08410%0.1CC..  trans-113.2130.3-172.7177.90000112.8I53 S413 L417 S418I53-S415 PolarHBondContact O-OG 2.66Å; S413-S415 PolarHBondContact OG-N 2.79Å; S413-S415 VanDerWaalsContact OG-N 3.08Å; S415-L417 PolarHBondContact O-N 3.39Å; S415-L417 VanDerWaalsContact O-N 3.15Å; S415-L417 PolarHBondContact OG-N 3.14Å; S415-S418 WeakPolarHBondContact O-CB 3.38Å; S415-S418 PolarHBondContact O-N 3.26Å; S415-S418 VanDerWaalsContact O-N 3.1Å
416F95.2Very high93.8Very high4 Ų416 Ų162%0.0188%0.081CC..THydrogen-bonded Turntrans-63.2-14.8173.4-71.8-92.4000113.8L36 Q40 I41 F47 A142 I145 M146 Y419L36-F416 HydrophobicContact CB-CZ 4.41Å; L36-F416 HydrophobicContact CD1-CD1 4.15Å; L36-F416 HydrophobicContact CD1-CE1 4.02Å; L36-F416 HydrophobicContact CD1-CZ 4.43Å; L36-F416 HydrophobicContact CD2-CD1 4.36Å; L36-F416 HydrophobicContact CD2-CD2 3.92Å; L36-F416 HydrophobicContact CD2-CE1 4.44Å; L36-F416 HydrophobicContact CD2-CE2 4.01Å; L36-F416 HydrophobicContact CD2-CG 4.11Å; L36-F416 HydrophobicContact CD2-CZ 4.27Å; Q40-F416 HydrophobicContact CB-CE2 4.49Å; Q40-F416 HydrophobicContact CB-CZ 4.37Å; I41-F416 HydrophobicContact CD1-CE1 4.45Å; I41-F416 HydrophobicContact CG1-CE1 3.9Å; I41-F416 HydrophobicContact CG1-CZ 3.81Å; F47-F416 HydrophobicContact CE1-CD2 4.09Å; F47-F416 HydrophobicContact CE1-CE2 4.46Å; F47-F416 HydrophobicContact CZ-CB 4.36Å; F47-F416 AromaticContact CZ-CD2 3.54Å; F47-F416 HydrophobicContact CZ-CD2 3.54Å; F47-F416 AromaticContact CZ-CE2 3.98Å; F47-F416 HydrophobicContact CZ-CE2 3.98Å; F47-F416 AromaticContact CZ-CG 3.98Å; F47-F416 HydrophobicContact CZ-CG 3.98Å; A142-F416 HydrophobicContact CB-CD1 4.35Å; A142-F416 HydrophobicContact CB-CE1 3.75Å; A142-F416 HydrophobicContact CB-CE2 4.43Å; A142-F416 HydrophobicContact CB-CZ 3.79Å; I145-F416 HydrophobicContact CG2-CB 4.2Å; I145-F416 WeakPolarHBondContact CG2-O 3.42Å; M146-F416 HydrophobicContact CG-CD1 4.15Å; M146-F416 HydrophobicContact CG-CE1 4.31Å; M146-F416 HydrophobicContact SD-CD1 4.4Å; M146-F416 HydrophobicContact SD-CE1 3.96Å; F416-Y419 WeakPolarHBondContact O-CD2 3.29Å; F416-Y419 WeakPolarHBondContact O-CE2 3.26Å
417L95.6Very high93.9Very high3 Ų314.6 Ų14.62%0.0168%0.075CC..THydrogen-bonded Turntrans-88.8-9.8177.3-60.2175.6000113I53 W54 E107 P111 F112 S415 Y419 T420I53-L417 HydrophobicContact CD1-CD1 4.35Å; I53-L417 HydrophobicContact CD1-CD2 3.91Å; I53-L417 HydrophobicContact CD1-CG 4.08Å; I53-L417 HydrophobicContact CG1-CD1 4.09Å; I53-L417 HydrophobicContact CG1-CD2 4.4Å; I53-L417 HydrophobicContact CG1-CG 4.01Å; I53-L417 HydrophobicContact CG2-CD1 4.11Å; W54-L417 HydrophobicContact CB-CD1 3.85Å; W54-L417 VanDerWaalsContact CD1-CD1 3.42Å; W54-L417 HydrophobicContact CG-CD1 3.74Å; E107-L417 HydrophobicContact CB-CB 4.42Å; E107-L417 HydrophobicContact CG-CB 4.05Å; P111-L417 HydrophobicContact CB-CD2 4.15Å; P111-L417 HydrophobicContact CG-CD2 3.53Å; F112-L417 HydrophobicContact CE2-CD1 4.27Å; F112-L417 HydrophobicContact CE2-CD2 4.04Å; F112-L417 HydrophobicContact CZ-CD2 4.37Å; S415-L417 PolarHBondContact O-N 3.39Å; S415-L417 VanDerWaalsContact O-N 3.15Å; S415-L417 PolarHBondContact OG-N 3.14Å; L417-Y419 PolarHBondContact O-N 2.83Å; L417-T420 PolarHBondContact O-N 2.81Å; L417-T420 PolarHBondContact O-OG1 2.78Å
418S95Very high94.3Very high0 Ų011.1 Ų11.10%05%0.054CC..THydrogen-bonded Turntrans-72.2-6.9-176.7-67.60000114.5S413 S415 T420 R421S413-S418 VanDerWaalsContact CB-CB 3.49Å; S413-S418 WeakPolarHBondContact CB-OG 3.38Å; S413-S418 VanDerWaalsContact OG-CB 3.3Å; S413-S418 WeakPolarHBondContact OG-CB 3.44Å; S413-S418 PolarHBondContact OG-OG 3.33Å; S415-S418 WeakPolarHBondContact O-CB 3.38Å; S415-S418 PolarHBondContact O-N 3.26Å; S415-S418 VanDerWaalsContact O-N 3.1Å; S418-T420 PolarHBondContact O-N 2.88Å; S418-T420 VanDerWaalsContact O-N 3.08Å; S418-R421 VanDerWaalsContact O-CB 3.25Å; S418-R421 WeakPolarHBondContact O-CB 3.19Å; S418-R421 VanDerWaalsContact O-CG 3.31Å; S418-R421 WeakPolarHBondContact O-CG 3.38Å; S418-R421 PolarHBondContact O-N 3.38Å
419Y95.1Very high94.6Very high3 Ų311.4 Ų11.41%0.0125%0.052CC..THydrogen-bonded Turntrans-57.9-23.2173-63.1-53.8000113.2I29 D31 L36 M146 M149 V151 V154 T411 F416 L417 R421 H422I29-Y419 HydrophobicContact CD1-CD1 4.36Å; I29-Y419 HydrophobicContact CD1-CG 4.38Å; I29-Y419 HydrophobicContact CG2-CD1 4.1Å; D31-Y419 HydrophobicContact CB-CE1 4.27Å; L36-Y419 WeakPolarHBondContact CD1-OH 3.48Å; M146-Y419 HydrophobicContact CG-CE2 3.95Å; M149-Y419 HydrophobicContact CB-CD2 3.93Å; M149-Y419 HydrophobicContact CB-CG 4.14Å; M149-Y419 HydrophobicContact CG-CD2 3.97Å; M149-Y419 HydrophobicContact CG-CG 4.41Å; V151-Y419 HydrophobicContact CG1-CE1 4.45Å; V151-Y419 HydrophobicContact CG2-CD1 3.82Å; V151-Y419 HydrophobicContact CG2-CD2 4.05Å; V151-Y419 HydrophobicContact CG2-CE1 3.67Å; V151-Y419 HydrophobicContact CG2-CE2 3.91Å; V151-Y419 HydrophobicContact CG2-CG 4.02Å; V154-Y419 HydrophobicContact CG1-CE1 4.47Å; T411-Y419 HydrophobicContact CG2-CD1 4.3Å; F416-Y419 WeakPolarHBondContact O-CD2 3.29Å; F416-Y419 WeakPolarHBondContact O-CE2 3.26Å; L417-Y419 PolarHBondContact O-N 2.83Å; Y419-R421 PolarHBondContact O-N 2.99Å; Y419-R421 VanDerWaalsContact O-N 3.14Å; Y419-H422 WeakPolarHBondContact O-CB 3.29Å; Y419-H422 PolarHBondContact O-N 2.81Å
420T94.9Very high95Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-58.9-19.8170.756.10000113.7L106 E107 R110 M149 L417 S418 H422 E423 Y424L106-T420 HydrophobicContact CB-CG2 4.23Å; E107-T420 HydrophobicContact CG-CG2 4.32Å; E107-T420 WeakPolarHBondContact CG-OG1 3.5Å; R110-T420 HydrophobicContact CB-CG2 3.93Å; R110-T420 HydrophobicContact CG-CG2 4.03Å; M149-T420 HydrophobicContact CE-CG2 4Å; L417-T420 PolarHBondContact O-N 2.81Å; L417-T420 PolarHBondContact O-OG1 2.78Å; S418-T420 PolarHBondContact O-N 2.88Å; S418-T420 VanDerWaalsContact O-N 3.08Å; T420-H422 VanDerWaalsContact C-N 3.33Å; T420-E423 WeakPolarHBondContact O-CB 3.39Å; T420-E423 PolarHBondContact O-N 3.31Å; T420-Y424 PolarHBondContact O-N 3.25Å
421R94.7Very high95.2Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-68.6-28.9173-61.6-176-165.7-17310.4112.7D385 S418 Y419 E423 Y424 F425D385-R421 IonicContact OD2-CZ 3.63Å; D385-R421 IonicContact OD2-NH1 3.68Å; D385-R421 PolarHBondContact OD2-NH1 3.28Å; S418-R421 VanDerWaalsContact O-CB 3.25Å; S418-R421 WeakPolarHBondContact O-CB 3.19Å; S418-R421 VanDerWaalsContact O-CG 3.31Å; S418-R421 WeakPolarHBondContact O-CG 3.38Å; S418-R421 PolarHBondContact O-N 3.38Å; Y419-R421 PolarHBondContact O-N 2.99Å; Y419-R421 VanDerWaalsContact O-N 3.14Å; R421-E423 VanDerWaalsContact C-N 3.34Å; R421-Y424 PolarHBondContact O-N 2.83Å; R421-F425 WeakPolarHBondContact O-CB 3.14Å; R421-F425 PolarHBondContact O-N 3.17Å
422H94.9Very high95.4Very high8 Ų811.5 Ų11.54%0.0375%0.052CC..Hα-helixtrans-64.9-40.8171.5-71.3-94.8000111I29 D31 M409 T411 Y419 T420 F425 R426I29-H422 HydrophobicContact CD1-CB 3.99Å; I29-H422 HydrophobicContact CG1-CB 4.12Å; I29-H422 WeakPolarHBondContact CG2-NE2 2.99Å; D31-H422 IonicContact OD1-NE2 3.91Å; M409-H422 PolarHBondContact O-CE1 3.12Å; M409-H422 PolarHBondContact O-ND1 3.12Å; T411-H422 WeakPolarHBondContact CG2-NE2 3.28Å; Y419-H422 WeakPolarHBondContact O-CB 3.29Å; Y419-H422 PolarHBondContact O-N 2.81Å; T420-H422 VanDerWaalsContact C-N 3.33Å; H422-F425 PolarHBondContact O-N 3.42Å; H422-R426 WeakPolarHBondContact O-CB 3.46Å; H422-R426 WeakPolarHBondContact O-CD 3.47Å; H422-R426 WeakPolarHBondContact O-CG 3.4Å; H422-R426 PolarHBondContact O-N 3.41Å
423E94.5Very high95.5Very high18 Ų1810.7 Ų10.78%0.0845%0.047CC..Hα-helixtrans-62.7-46.5173.2-176.6-171.3165.500111.3Y20 R110 T420 R421 F425 R426 R427Y20-E423 VanDerWaalsContact OH-CG 3.28Å; Y20-E423 WeakPolarHBondContact OH-CG 3.49Å; Y20-E423 PolarHBondContact OH-OE1 2.91Å; R110-E423 WeakPolarHBondContact CD-OE2 3.43Å; R110-E423 WeakPolarHBondContact CG-OE2 3.25Å; R110-E423 IonicContact CZ-OE1 3.35Å; R110-E423 IonicContact CZ-OE2 3.82Å; R110-E423 VanDerWaalsContact NE-CD 3.32Å; R110-E423 IonicContact NE-OE1 3.65Å; R110-E423 PolarHBondContact NE-OE1 3.28Å; R110-E423 IonicContact NE-OE2 2.58Å; R110-E423 PolarHBondContact NE-OE2 2.72Å; R110-E423 IonicContact NH2-OE1 2.63Å; R110-E423 PolarHBondContact NH2-OE1 2.96Å; R110-E423 IonicContact NH2-OE2 3.04Å; T420-E423 WeakPolarHBondContact O-CB 3.39Å; T420-E423 PolarHBondContact O-N 3.31Å; R421-E423 VanDerWaalsContact C-N 3.34Å; E423-F425 VanDerWaalsContact C-N 3.32Å; E423-F425 PolarHBondContact O-N 2.87Å; E423-R426 PolarHBondContact O-N 3.01Å; E423-R427 HydrophobicContact CG-CG 4.49Å; E423-R427 WeakPolarHBondContact O-CG 3.18Å; E423-R427 PolarHBondContact O-N 3.3Å; E423-R427 IonicContact OE1-CZ 3.44Å; E423-R427 VanDerWaalsContact OE1-CZ 3.29Å; E423-R427 IonicContact OE1-NE 3.73Å; E423-R427 PolarHBondContact OE1-NE 2.86Å; E423-R427 IonicContact OE1-NH2 2.76Å; E423-R427 PolarHBondContact OE1-NH2 3.34Å
424Y95.8Very high95.7Very high4 Ų410.3 Ų10.32%0.0165%0.045CC..Hα-helixtrans-56.8-47.7178.8-165.8-110.2000111.4F9 L10 H102 W103 L106 K387 M390 T420 R421 R427 I428F9-Y424 HydrophobicContact CE1-CD2 4.24Å; F9-Y424 AromaticContact CE1-CE2 3.96Å; F9-Y424 HydrophobicContact CE1-CE2 3.96Å; F9-Y424 HydrophobicContact CZ-CE2 4.35Å; L10-Y424 HydrophobicContact CD1-CD2 4.01Å; L10-Y424 HydrophobicContact CD1-CE2 3.66Å; H102-Y424 HydrophobicContact CB-CD2 4.45Å; H102-Y424 HydrophobicContact CB-CE2 3.72Å; H102-Y424 AromaticContact ND1-CE2 3.57Å; H102-Y424 AromaticContact ND1-CZ 3.64Å; H102-Y424 PolarHBondContact ND1-OH 3.44Å; W103-Y424 AromaticContact NE1-CD1 3.81Å; L106-Y424 HydrophobicContact CD1-CD2 3.81Å; L106-Y424 HydrophobicContact CD1-CG 4.45Å; K387-Y424 HydrophobicContact CB-CE1 4.25Å; K387-Y424 WeakPolarHBondContact CB-OH 3.02Å; M390-Y424 HydrophobicContact CE-CD1 4.48Å; M390-Y424 HydrophobicContact SD-CD1 4.14Å; T420-Y424 PolarHBondContact O-N 3.25Å; R421-Y424 PolarHBondContact O-N 2.83Å; Y424-R427 PolarHBondContact O-N 3.12Å; Y424-I428 HydrophobicContact CD1-CD1 3.57Å; Y424-I428 HydrophobicContact CE1-CD1 3.45Å; Y424-I428 VanDerWaalsContact CE1-CD1 3.45Å; Y424-I428 HydrophobicContact CG-CD1 4.27Å; Y424-I428 WeakPolarHBondContact O-CD1 3.5Å; Y424-I428 VanDerWaalsContact O-CG1 3.3Å; Y424-I428 WeakPolarHBondContact O-CG1 3.41Å; Y424-I428 PolarHBondContact O-N 3.18Å; Y424-I428 VanDerWaalsContact O-N 3.13Å
425F96.3Very high95.9Very high14 Ų1411.6 Ų11.66%0.0615%0.05CC..Hα-helixtrans-57.1-50.9173.8166.2-100.1000112.4M390 M394 F406 M409 R421 H422 E423 R427 I428 L429M390-F425 HydrophobicContact CE-CB 4.3Å; M390-F425 HydrophobicContact SD-CB 4.4Å; M394-F425 HydrophobicContact CE-CE2 4.39Å; M394-F425 HydrophobicContact CG-CE2 4.43Å; M394-F425 HydrophobicContact SD-CD2 4.32Å; M394-F425 HydrophobicContact SD-CE2 3.5Å; M394-F425 WeakPolarHBondContact SD-CE2 3.28Å; M394-F425 HydrophobicContact SD-CZ 4.12Å; F406-F425 HydrophobicContact CD1-CZ 4.02Å; F406-F425 AromaticContact CE1-CE2 3.75Å; F406-F425 HydrophobicContact CE1-CE2 3.75Å; F406-F425 AromaticContact CE1-CZ 3.56Å; F406-F425 HydrophobicContact CE1-CZ 3.56Å; M409-F425 HydrophobicContact CB-CB 3.95Å; M409-F425 HydrophobicContact CB-CD1 3.67Å; M409-F425 HydrophobicContact CB-CD2 4.02Å; M409-F425 HydrophobicContact CB-CE1 4.2Å; M409-F425 HydrophobicContact CB-CE2 4.5Å; M409-F425 HydrophobicContact CB-CG 3.58Å; M409-F425 HydrophobicContact CG-CB 3.99Å; M409-F425 HydrophobicContact CG-CG 4.13Å; R421-F425 WeakPolarHBondContact O-CB 3.14Å; R421-F425 PolarHBondContact O-N 3.17Å; H422-F425 PolarHBondContact O-N 3.42Å; E423-F425 VanDerWaalsContact C-N 3.32Å; E423-F425 PolarHBondContact O-N 2.87Å; F425-R427 VanDerWaalsContact C-N 3.3Å; F425-R427 PolarHBondContact O-N 2.97Å; F425-I428 PolarHBondContact O-N 2.9Å; F425-I428 VanDerWaalsContact O-N 3.1Å; F425-L429 HydrophobicContact CE1-CD2 4.23Å; F425-L429 HydrophobicContact CZ-CD2 4.12Å; F425-L429 PolarHBondContact O-N 3.15Å
426R95.7Very high96Very high32 Ų3214.1 Ų14.112%0.1216%0.057CC..Hα-helixtrans-58.2-41.4-179.6-73.1162.5-175.6-174.87112.1Y20 A24 K25 Q27 P28 H422 E423 L429 C430Y20-R426 HydrophobicContact CD2-CB 4.28Å; Y20-R426 HydrophobicContact CE2-CB 4.06Å; A24-R426 HydrophobicContact CB-CB 4.15Å; A24-R426 HydrophobicContact CB-CG 4.41Å; A24-R426 WeakPolarHBondContact O-CD 3.45Å; A24-R426 PolarHBondContact O-NH1 2.94Å; K25-R426 PolarHBondContact O-NH1 3.5Å; K25-R426 VanDerWaalsContact O-NH1 3.13Å; Q27-R426 PolarHBondContact O-NH1 3.29Å; Q27-R426 PolarHBondContact O-NH2 3.28Å; P28-R426 PolarHBondContact O-NH2 3.04Å; H422-R426 WeakPolarHBondContact O-CB 3.46Å; H422-R426 WeakPolarHBondContact O-CD 3.47Å; H422-R426 WeakPolarHBondContact O-CG 3.4Å; H422-R426 PolarHBondContact O-N 3.41Å; E423-R426 PolarHBondContact O-N 3.01Å; R426-L429 PolarHBondContact O-N 3.22Å; R426-C430 WeakPolarHBondContact O-CB 3.45Å; R426-C430 PolarHBondContact O-N 3.28Å; R426-C430 PolarHBondContact O-SG 3.14Å
427R96.7Very high95.9Very high0 Ų014.8 Ų14.80%06%0.062CC..Hα-helixtrans-63.3-42.4176.5-70.7172.8174.8-73.9-9.5111.8E7 F9 L10 L11 Y20 E423 Y424 F425 Q431E7-R427 PolarHBondContact O-NH1 3.37Å; E7-R427 PolarHBondContact O-NH2 3.32Å; F9-R427 WeakPolarHBondContact O-CD 3.22Å; F9-R427 PolarHBondContact O-NH1 3.41Å; L10-R427 HydrophobicContact CB-CB 4.32Å; L10-R427 HydrophobicContact CD1-CB 4.25Å; L11-R427 HydrophobicContact CD2-CB 4.25Å; L11-R427 HydrophobicContact CD2-CG 4.48Å; Y20-R427 HydrophobicContact CD2-CG 3.82Å; Y20-R427 HydrophobicContact CE1-CG 4.5Å; Y20-R427 HydrophobicContact CE2-CG 3.44Å; Y20-R427 VanDerWaalsContact CE2-CG 3.44Å; Y20-R427 HydrophobicContact CG-CG 4.5Å; Y20-R427 PolarHBondContact OH-NH2 3.16Å; E423-R427 HydrophobicContact CG-CG 4.49Å; E423-R427 WeakPolarHBondContact O-CG 3.18Å; E423-R427 PolarHBondContact O-N 3.3Å; E423-R427 IonicContact OE1-CZ 3.44Å; E423-R427 VanDerWaalsContact OE1-CZ 3.29Å; E423-R427 IonicContact OE1-NE 3.73Å; E423-R427 PolarHBondContact OE1-NE 2.86Å; E423-R427 IonicContact OE1-NH2 2.76Å; E423-R427 PolarHBondContact OE1-NH2 3.34Å; Y424-R427 PolarHBondContact O-N 3.12Å; F425-R427 VanDerWaalsContact C-N 3.3Å; F425-R427 PolarHBondContact O-N 2.97Å; R427-Q431 VanDerWaalsContact O-CB 3.27Å; R427-Q431 WeakPolarHBondContact O-CB 3.46Å; R427-Q431 PolarHBondContact O-N 3.49Å
428I97.2Very high95.8Very high0 Ų021 Ų210%09%0.091CC..Hα-helixtrans-66.7-44.4178-65.1162.9000110.7L10 K387 M390 E391 M394 Y424 F425 Q431 M432L10-I428 HydrophobicContact CD1-CG1 3.9Å; K387-I428 HydrophobicContact CB-CD1 4.05Å; K387-I428 HydrophobicContact CG-CD1 4.08Å; K387-I428 HydrophobicContact CG-CG1 4.28Å; M390-I428 HydrophobicContact CB-CD1 4.5Å; M390-I428 HydrophobicContact SD-CD1 3.6Å; M390-I428 VanDerWaalsContact SD-CD1 3.6Å; E391-I428 HydrophobicContact CG-CG2 3.64Å; M394-I428 HydrophobicContact CE-CB 4.45Å; M394-I428 HydrophobicContact CE-CG2 3.69Å; Y424-I428 HydrophobicContact CD1-CD1 3.57Å; Y424-I428 HydrophobicContact CE1-CD1 3.45Å; Y424-I428 VanDerWaalsContact CE1-CD1 3.45Å; Y424-I428 HydrophobicContact CG-CD1 4.27Å; Y424-I428 WeakPolarHBondContact O-CD1 3.5Å; Y424-I428 VanDerWaalsContact O-CG1 3.3Å; Y424-I428 WeakPolarHBondContact O-CG1 3.41Å; Y424-I428 PolarHBondContact O-N 3.18Å; Y424-I428 VanDerWaalsContact O-N 3.13Å; F425-I428 PolarHBondContact O-N 2.9Å; F425-I428 VanDerWaalsContact O-N 3.1Å; I428-Q431 PolarHBondContact O-N 2.93Å; I428-M432 WeakPolarHBondContact O-CB 3.22Å; I428-M432 PolarHBondContact O-N 3.38Å
429L96.8Very high95.8Very high20 Ų2024.1 Ų24.111%0.10512%0.117CC..Hα-helixtrans-59.1-48.3175.9176.662.3000111.4M394 L403 F425 R426 Q431 M432 I433M394-L429 HydrophobicContact CE-CB 4.47Å; M394-L429 HydrophobicContact SD-CB 4.13Å; M394-L429 HydrophobicContact SD-CD1 3.79Å; L403-L429 HydrophobicContact CD1-CD1 4.4Å; L403-L429 HydrophobicContact CD2-CD1 4.03Å; L403-L429 HydrophobicContact CG-CD1 4.47Å; F425-L429 HydrophobicContact CE1-CD2 4.23Å; F425-L429 HydrophobicContact CZ-CD2 4.12Å; F425-L429 PolarHBondContact O-N 3.15Å; R426-L429 PolarHBondContact O-N 3.22Å; L429-Q431 VanDerWaalsContact C-N 3.35Å; L429-Q431 PolarHBondContact O-N 3.43Å; L429-M432 PolarHBondContact O-N 3.11Å; L429-I433 HydrophobicContact CD1-CD1 3.9Å; L429-I433 HydrophobicContact CD1-CG1 4.35Å; L429-I433 HydrophobicContact CG-CD1 4.1Å; L429-I433 WeakPolarHBondContact O-CG1 3.28Å; L429-I433 PolarHBondContact O-N 3.21Å
430C97.5Very high95.7Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-65-38.6178.5-64.40000112.2L11 A16 L19 Y20 A24 R426 G434L11-C430 HydrophobicContact CD2-CB 4.09Å; A16-C430 VanDerWaalsContact CB-O 3.28Å; A16-C430 WeakPolarHBondContact CB-O 3.41Å; L19-C430 HydrophobicContact CD2-CB 4.41Å; L19-C430 HydrophobicContact CG-CB 4.48Å; Y20-C430 VanDerWaalsContact CA-SG 3.59Å; A24-C430 VanDerWaalsContact CB-SG 3.58Å; R426-C430 WeakPolarHBondContact O-CB 3.45Å; R426-C430 PolarHBondContact O-N 3.28Å; R426-C430 PolarHBondContact O-SG 3.14Å; C430-G434 PolarHBondContact O-N 3.19Å
431Q97.6Very high95.6Very high5 Ų533.9 Ų33.92%0.02318%0.18CC..Hα-helixtrans-59.6-47.3172.5164.2163.761.800111.4L10 D12 R427 I428 L429 G434 R435L10-Q431 PolarHBondContact O-NE2 2.82Å; L10-Q431 PolarHBondContact O-OE1 3.27Å; D12-Q431 WeakPolarHBondContact OD1-CG 3.45Å; D12-Q431 PolarHBondContact OD1-NE2 3.36Å; D12-Q431 PolarHBondContact OD2-NE2 2.88Å; R427-Q431 VanDerWaalsContact O-CB 3.27Å; R427-Q431 WeakPolarHBondContact O-CB 3.46Å; R427-Q431 PolarHBondContact O-N 3.49Å; I428-Q431 PolarHBondContact O-N 2.93Å; L429-Q431 VanDerWaalsContact C-N 3.35Å; L429-Q431 PolarHBondContact O-N 3.43Å; Q431-G434 PolarHBondContact O-N 2.82Å; Q431-R435 VanDerWaalsContact NE2-NH2 3.16Å; Q431-R435 WeakPolarHBondContact O-CB 3.42Å; Q431-R435 VanDerWaalsContact O-CG 3.28Å; Q431-R435 WeakPolarHBondContact O-CG 3.47Å; Q431-R435 PolarHBondContact O-N 2.97Å
432M97.3Very high95.4Very high13 Ų1334.9 Ų34.96%0.06419%0.188CC..Hα-helixtrans-60.9-50.6-179.3179.9172150.500111.3M394 L403 I428 L429 R435 W436M394-M432 HydrophobicContact CB-CE 3.81Å; M394-M432 HydrophobicContact CB-SD 3.82Å; M394-M432 HydrophobicContact CE-SD 4.11Å; L403-M432 HydrophobicContact CD2-CE 4.09Å; I428-M432 WeakPolarHBondContact O-CB 3.22Å; I428-M432 PolarHBondContact O-N 3.38Å; L429-M432 PolarHBondContact O-N 3.11Å; M432-R435 PolarHBondContact O-N 3.31Å; M432-W436 HydrophobicContact CE-CH2 3.21Å; M432-W436 HydrophobicContact CE-CZ2 3.12Å; M432-W436 HydrophobicContact CE-CZ3 4.2Å; M432-W436 HydrophobicContact CG-CH2 4.38Å; M432-W436 HydrophobicContact CG-CZ2 4.01Å; M432-W436 PolarHBondContact O-N 3.39Å; M432-W436 VanDerWaalsContact O-N 3.12Å; M432-W436 HydrophobicContact SD-CZ2 4.41Å
433I95.3Very high94.8Very high1 Ų138.2 Ų38.21%0.00521%0.211CC..Hα-helixtrans-62.4-46176.8-65.6169.7000111F15 L19 L429 R435 W436 V437 L449 M452F15-I433 HydrophobicContact CE1-CG2 4.41Å; L19-I433 HydrophobicContact CD2-CB 3.82Å; L19-I433 HydrophobicContact CD2-CD1 4.05Å; L19-I433 HydrophobicContact CD2-CG2 3.6Å; L429-I433 HydrophobicContact CD1-CD1 3.9Å; L429-I433 HydrophobicContact CD1-CG1 4.35Å; L429-I433 HydrophobicContact CG-CD1 4.1Å; L429-I433 WeakPolarHBondContact O-CG1 3.28Å; L429-I433 PolarHBondContact O-N 3.21Å; I433-R435 PolarHBondContact O-N 2.81Å; I433-W436 HydrophobicContact CG1-CE3 4.16Å; I433-W436 HydrophobicContact CG1-CZ3 4.21Å; I433-W436 WeakPolarHBondContact O-CB 3.49Å; I433-W436 PolarHBondContact O-N 2.86Å; I433-W436 VanDerWaalsContact O-N 3.12Å; I433-V437 PolarHBondContact O-N 3.3Å; I433-L449 HydrophobicContact CG2-CB 4.21Å; I433-L449 HydrophobicContact CG2-CD1 3.78Å; I433-L449 HydrophobicContact CG2-CD2 4.06Å; I433-L449 HydrophobicContact CG2-CG 4.24Å; I433-M452 HydrophobicContact CD1-CE 4.24Å
434G96.5Very high94.5Very high0 Ų041.2 Ų41.20%024%0.238CC..Hα-helixtrans-62.9-28.3-179.900000113.5T13 C430 Q431 E438T13-G434 WeakPolarHBondContact OG1-CA 3.45Å; T13-G434 PolarHBondContact OG1-O 2.86Å; C430-G434 PolarHBondContact O-N 3.19Å; Q431-G434 PolarHBondContact O-N 2.82Å; G434-E438 PolarHBondContact O-N 2.94Å
435R97.5Very high93.9Very high107 Ų10744.4 Ų44.440%0.40426%0.256SS..Hα-helixtrans-75.3-38.3172.8-75.9171.9172.4-169.8-5.7112.5D12 T13 Q431 M432 I433 V437 E438 A439D12-R435 IonicContact OD1-NE 2.8Å; D12-R435 PolarHBondContact OD1-NE 3.48Å; D12-R435 IonicContact OD2-CZ 2.75Å; D12-R435 IonicContact OD2-NE 3.96Å; D12-R435 PolarHBondContact OD2-NE 2.81Å; D12-R435 IonicContact OD2-NH2 3.08Å; D12-R435 PolarHBondContact OD2-NH2 2.94Å; T13-R435 HydrophobicContact CG2-CG 4.11Å; Q431-R435 VanDerWaalsContact NE2-NH2 3.16Å; Q431-R435 WeakPolarHBondContact O-CB 3.42Å; Q431-R435 VanDerWaalsContact O-CG 3.28Å; Q431-R435 WeakPolarHBondContact O-CG 3.47Å; Q431-R435 PolarHBondContact O-N 2.97Å; M432-R435 PolarHBondContact O-N 3.31Å; I433-R435 PolarHBondContact O-N 2.81Å; R435-V437 VanDerWaalsContact C-N 3.28Å; R435-V437 PolarHBondContact O-N 3.01Å; R435-E438 PolarHBondContact O-N 3.48Å; R435-A439 VanDerWaalsContact O-CB 3.31Å; R435-A439 WeakPolarHBondContact O-CB 3.28Å; R435-A439 PolarHBondContact O-N 2.85Å
436W96.4Very high93.2Very high64 Ų6444.8 Ų44.824%0.24226%0.258CS..Hα-helixtrans-59.6-41.6172.3-65.4-28.8000111.7A398 L403 M432 I433 A439 G440 E441 A442A398-W436 HydrophobicContact CB-CH2 3.7Å; A398-W436 HydrophobicContact CB-CZ2 4.24Å; L403-W436 HydrophobicContact CD2-CH2 3.8Å; L403-W436 HydrophobicContact CD2-CZ3 3.92Å; M432-W436 HydrophobicContact CE-CH2 3.21Å; M432-W436 HydrophobicContact CE-CZ2 3.12Å; M432-W436 HydrophobicContact CE-CZ3 4.2Å; M432-W436 HydrophobicContact CG-CH2 4.38Å; M432-W436 HydrophobicContact CG-CZ2 4.01Å; M432-W436 PolarHBondContact O-N 3.39Å; M432-W436 VanDerWaalsContact O-N 3.12Å; M432-W436 HydrophobicContact SD-CZ2 4.41Å; I433-W436 HydrophobicContact CG1-CE3 4.16Å; I433-W436 HydrophobicContact CG1-CZ3 4.21Å; I433-W436 WeakPolarHBondContact O-CB 3.49Å; I433-W436 PolarHBondContact O-N 2.86Å; I433-W436 VanDerWaalsContact O-N 3.12Å; W436-A439 PolarHBondContact O-N 2.78Å; W436-G440 PolarHBondContact O-N 2.93Å; W436-G440 VanDerWaalsContact O-N 3.17Å; W436-E441 HydrophobicContact CB-CB 4.17Å; W436-E441 PolarHBondContact O-N 3.27Å; W436-A442 HydrophobicContact CB-CB 3.97Å; W436-A442 PolarHBondContact O-N 2.98Å
437V92.2Very high92.2Very high19 Ų1946.1 Ų46.112%0.11527%0.268CS..Hα-helixtrans-62.3-48.5175.3174.90000111.5F15 I433 R435 A439 G440 A442 A444 L449F15-V437 HydrophobicContact CB-CG1 4.39Å; F15-V437 HydrophobicContact CD1-CB 4.36Å; F15-V437 HydrophobicContact CD1-CG2 3.93Å; F15-V437 HydrophobicContact CD2-CB 4.47Å; F15-V437 HydrophobicContact CD2-CG1 3.84Å; F15-V437 HydrophobicContact CD2-CG2 4.43Å; F15-V437 HydrophobicContact CE1-CG2 3.9Å; F15-V437 HydrophobicContact CE2-CG1 4.24Å; F15-V437 HydrophobicContact CE2-CG2 4.39Å; F15-V437 HydrophobicContact CG-CB 4.2Å; F15-V437 HydrophobicContact CG-CG1 4.02Å; F15-V437 HydrophobicContact CG-CG2 4.19Å; F15-V437 HydrophobicContact CZ-CG2 4.13Å; I433-V437 PolarHBondContact O-N 3.3Å; R435-V437 VanDerWaalsContact C-N 3.28Å; R435-V437 PolarHBondContact O-N 3.01Å; V437-A439 VanDerWaalsContact C-N 3.3Å; V437-A439 PolarHBondContact O-N 3.45Å; V437-G440 PolarHBondContact O-N 2.98Å; V437-G440 VanDerWaalsContact O-N 3.08Å; V437-A442 HydrophobicContact CG2-CB 4.08Å; V437-A444 HydrophobicContact CG1-CB 3.68Å; V437-L449 HydrophobicContact CG2-CD1 3.45Å; V437-L449 VanDerWaalsContact CG2-CD1 3.45Å
438E93.3Very high91.5Very high133 Ų13350.2 Ų50.262%0.62129%0.289SS*.Hα-helixtrans-65.4-31.5178.4-78.3-157169.400113.6T13 G434 R435 G440T13-E438 VanDerWaalsContact CB-CD 3.48Å; T13-E438 WeakPolarHBondContact CB-OE1 3.4Å; T13-E438 HydrophobicContact CG2-CB 4.36Å; T13-E438 HydrophobicContact CG2-CG 3.79Å; T13-E438 VanDerWaalsContact CG2-OE2 3.32Å; T13-E438 WeakPolarHBondContact CG2-OE2 3.33Å; G434-E438 PolarHBondContact O-N 2.94Å; R435-E438 PolarHBondContact O-N 3.48Å; E438-G440 PolarHBondContact O-N 3.47Å
439A95Very high90.9Very high65 Ų6550.8 Ų50.854%0.53729%0.292SS..Hα-helixtrans-75-10.217500000113.3R435 W436 V437 E441R435-A439 VanDerWaalsContact O-CB 3.31Å; R435-A439 WeakPolarHBondContact O-CB 3.28Å; R435-A439 PolarHBondContact O-N 2.85Å; W436-A439 PolarHBondContact O-N 2.78Å; V437-A439 VanDerWaalsContact C-N 3.3Å; V437-A439 PolarHBondContact O-N 3.45Å; A439-E441 VanDerWaalsContact C-N 3.28Å; A439-E441 HydrophobicContact CB-CG 3.91Å
440G93.3Very high90.1Very high65 Ų6549.8 Ų49.867%0.6729%0.287SS*.THydrogen-bonded Turntrans73.818.4-172.800000113.7W436 V437 E438W436-G440 PolarHBondContact O-N 2.93Å; W436-G440 VanDerWaalsContact O-N 3.17Å; V437-G440 PolarHBondContact O-N 2.98Å; V437-G440 VanDerWaalsContact O-N 3.08Å; E438-G440 PolarHBondContact O-N 3.47Å
441E93.2Very high89.2Confident144 Ų14455.1 Ų55.167%0.67331%0.312SS*.SBendtrans-86-16176.7-63.4177.2178.700112.3W436 A439W436-E441 HydrophobicContact CB-CB 4.17Å; W436-E441 PolarHBondContact O-N 3.27Å; A439-E441 VanDerWaalsContact C-N 3.28Å; A439-E441 HydrophobicContact CB-CG 3.91Å
442A89.6Confident88.5Confident21 Ų2157.7 Ų57.717%0.17432%0.324CS..SBendtrans-137149.5173.100000110.7W436 V437W436-A442 HydrophobicContact CB-CB 3.97Å; W436-A442 PolarHBondContact O-N 2.98Å; V437-A442 HydrophobicContact CG2-CB 4.08Å
443P84Confident87.6Confident78 Ų7858.5 Ų58.551%0.50633%0.329SS..  trans-64.3145.1175.528.3-34.7000110.6D445 L448 L449P443-D445 HydrophobicContact CB-CB 4.47Å; P443-D445 PolarHBondContact O-N 2.87Å; P443-L448 HydrophobicContact CG-CD2 4.01Å; P443-L449 WeakPolarHBondContact O-CD1 3.47Å
444A86.4Confident86.2Confident81 Ų8161.5 Ų61.567%0.66934%0.343SS*.  trans-76.545.3174.500000112.3F15 V437F15-A444 HydrophobicContact CE2-CB 4.5Å; V437-A444 HydrophobicContact CG1-CB 3.68Å
445D83.9Confident84.6Confident70 Ų7064.3 Ų64.337%0.37437%0.366SS..  trans-98.4103.4177.9-173.5-19.6000109.7P443 N447 L448 L449P443-D445 HydrophobicContact CB-CB 4.47Å; P443-D445 PolarHBondContact O-N 2.87Å; D445-N447 VanDerWaalsContact C-N 3.28Å; D445-N447 PolarHBondContact O-N 3.34Å; D445-N447 PolarHBondContact OD1-N 3.46Å; D445-L448 HydrophobicContact CB-CB 3.91Å; D445-L448 PolarHBondContact OD1-N 2.85Å; D445-L448 VanDerWaalsContact OD1-N 3.09Å; D445-L449 WeakPolarHBondContact O-CB 3.21Å; D445-L449 WeakPolarHBondContact O-CG 3.36Å; D445-L449 PolarHBondContact O-N 3.15Å; D445-L449 VanDerWaalsContact O-N 3.13Å
446I81.5Confident82.9Confident22 Ų2259.9 Ų59.911%0.11335%0.35CS..Hα-helixtrans-69.7-25.7-178.2-164.563.6000112.8F15 R18 L19 Y23 G450F15-I446 HydrophobicContact CD1-CD1 4.35Å; F15-I446 HydrophobicContact CD2-CD1 4.49Å; F15-I446 HydrophobicContact CE1-CD1 3.79Å; F15-I446 HydrophobicContact CE2-CB 4.16Å; F15-I446 HydrophobicContact CE2-CD1 3.95Å; F15-I446 HydrophobicContact CZ-CB 4.12Å; F15-I446 HydrophobicContact CZ-CD1 3.57Å; F15-I446 HydrophobicContact CZ-CG1 4.44Å; R18-I446 HydrophobicContact CB-CD1 4.38Å; L19-I446 HydrophobicContact CB-CD1 4.23Å; L19-I446 HydrophobicContact CD1-CD1 4.15Å; Y23-I446 HydrophobicContact CE2-CD1 4.04Å; Y23-I446 HydrophobicContact CE2-CG1 3.64Å; I446-G450 VanDerWaalsContact O-CA 3.29Å; I446-G450 WeakPolarHBondContact O-CA 3.46Å; I446-G450 PolarHBondContact O-N 3.47Å
447N75.9Confident82.2Confident60 Ų6059.5 Ų59.532%0.32135%0.353SS..Hα-helixtrans-76.9-50.1179.8-66-30000109.5D445 L449 G450 E451 L456D445-N447 VanDerWaalsContact C-N 3.28Å; D445-N447 PolarHBondContact O-N 3.34Å; D445-N447 PolarHBondContact OD1-N 3.46Å; N447-L449 VanDerWaalsContact C-N 3.34Å; N447-L449 PolarHBondContact O-N 3.04Å; N447-G450 PolarHBondContact O-N 3.09Å; N447-E451 WeakPolarHBondContact O-CG 3.48Å; N447-E451 PolarHBondContact O-N 3.38Å; N447-L456 HydrophobicContact CB-CD1 4.05Å
448L80.4Confident82.1Confident86 Ų8659.7 Ų59.745%0.4535%0.353SS..Hα-helixtrans-55.7-48.2176.1176.965.8000111.9P443 D445P443-L448 HydrophobicContact CG-CD2 4.01Å; D445-L448 HydrophobicContact CB-CB 3.91Å; D445-L448 PolarHBondContact OD1-N 2.85Å; D445-L448 VanDerWaalsContact OD1-N 3.09Å
449L84.8Confident82Confident12 Ų1253.5 Ų53.56%0.06333%0.325CS..Hα-helixtrans-77.2-26.1-179-64.6174.7000112.3F15 I433 V437 P443 D445 N447 M452F15-L449 HydrophobicContact CE1-CB 4.12Å; F15-L449 HydrophobicContact CE1-CD1 3.54Å; F15-L449 HydrophobicContact CE1-CG 4.47Å; F15-L449 HydrophobicContact CZ-CB 4.23Å; F15-L449 HydrophobicContact CZ-CD1 3.55Å; F15-L449 HydrophobicContact CZ-CG 4.43Å; I433-L449 HydrophobicContact CG2-CB 4.21Å; I433-L449 HydrophobicContact CG2-CD1 3.78Å; I433-L449 HydrophobicContact CG2-CD2 4.06Å; I433-L449 HydrophobicContact CG2-CG 4.24Å; V437-L449 HydrophobicContact CG2-CD1 3.45Å; V437-L449 VanDerWaalsContact CG2-CD1 3.45Å; P443-L449 WeakPolarHBondContact O-CD1 3.47Å; D445-L449 WeakPolarHBondContact O-CB 3.21Å; D445-L449 WeakPolarHBondContact O-CG 3.36Å; D445-L449 PolarHBondContact O-N 3.15Å; D445-L449 VanDerWaalsContact O-N 3.13Å; N447-L449 VanDerWaalsContact C-N 3.34Å; N447-L449 PolarHBondContact O-N 3.04Å; L449-M452 HydrophobicContact CD2-SD 3.79Å; L449-M452 WeakPolarHBondContact O-CB 3.34Å; L449-M452 PolarHBondContact O-N 3.29Å
450G80.4Confident81.8Confident0 Ų051.1 Ų51.10%031%0.305CS..Hα-helixtrans-67.2-37.2172.300000112.9Y23 I446 N447 M452 I453 H454Y23-G450 VanDerWaalsContact CD1-CA 3.46Å; I446-G450 VanDerWaalsContact O-CA 3.29Å; I446-G450 WeakPolarHBondContact O-CA 3.46Å; I446-G450 PolarHBondContact O-N 3.47Å; N447-G450 PolarHBondContact O-N 3.09Å; G450-M452 PolarHBondContact O-N 3.36Å; G450-I453 WeakPolarHBondContact O-CA 3.44Å; G450-I453 WeakPolarHBondContact O-CB 3.14Å; G450-I453 PolarHBondContact O-N 3.05Å; G450-H454 PolarHBondContact O-N 2.68Å
451E79.6Confident81.7Confident111 Ų11149.2 Ų49.252%0.51928%0.28SS..Hα-helixtrans-61-29.7175.9-80.4-176.4-179.100113.6N447 I453 H454 L456N447-E451 WeakPolarHBondContact O-CG 3.48Å; N447-E451 PolarHBondContact O-N 3.38Å; E451-I453 PolarHBondContact O-N 2.87Å; E451-H454 WeakPolarHBondContact CA-O 3.43Å; E451-L456 HydrophobicContact CG-CD1 3.59Å; E451-L456 HydrophobicContact CG-CD2 4.23Å; E451-L456 HydrophobicContact CG-CG 3.54Å; E451-L456 VanDerWaalsContact OE1-CD1 3.26Å; E451-L456 WeakPolarHBondContact OE1-CD1 3.3Å
452M83.1Confident81.8Confident59 Ų5942.4 Ų42.429%0.29125%0.248SC..THydrogen-bonded Turntrans-64.2-17.9173.7-61.9176.752.500112.6L403 I433 L449 G450L403-M452 HydrophobicContact CB-CE 4.44Å; L403-M452 HydrophobicContact CD2-CE 4.37Å; L403-M452 HydrophobicContact CG-CE 4.22Å; I433-M452 HydrophobicContact CD1-CE 4.24Å; L449-M452 HydrophobicContact CD2-SD 3.79Å; L449-M452 WeakPolarHBondContact O-CB 3.34Å; L449-M452 PolarHBondContact O-N 3.29Å; G450-M452 PolarHBondContact O-N 3.36Å
453I77.7Confident81.8Confident31 Ų3145.3 Ų45.316%0.15926%0.26CS..THydrogen-bonded Turntrans-110.8-40.5-174.4-58.2-174.6000111.5L19 A24 Q27 G450 E451L19-I453 HydrophobicContact CD1-CD1 3.51Å; L19-I453 HydrophobicContact CD1-CG1 4.45Å; L19-I453 HydrophobicContact CD2-CD1 3.81Å; L19-I453 HydrophobicContact CG-CD1 3.41Å; L19-I453 VanDerWaalsContact CG-CD1 3.41Å; A24-I453 VanDerWaalsContact CA-CG2 3.49Å; A24-I453 HydrophobicContact CB-CD1 4.31Å; A24-I453 HydrophobicContact CB-CG2 3.64Å; Q27-I453 HydrophobicContact CG-CG2 4.31Å; G450-I453 WeakPolarHBondContact O-CA 3.44Å; G450-I453 WeakPolarHBondContact O-CB 3.14Å; G450-I453 PolarHBondContact O-N 3.05Å; E451-I453 PolarHBondContact O-N 2.87Å
454H65.3Low82.1Confident64 Ų6444 Ų4430%0.29626%0.256SS..SBendtrans-150.6144.8-174.2-174.5-116.3000111.8Q27 G450 E451 L456Q27-H454 PolarHBondContact NE2-CD2 3.18Å; Q27-H454 PolarHBondContact OE1-CD2 2.92Å; G450-H454 PolarHBondContact O-N 2.68Å; E451-H454 WeakPolarHBondContact CA-O 3.43Å; H454-L456 PolarHBondContact O-N 3.3Å
455A62.1Low82.4Confident58 Ų5846 Ų4648%0.47926%0.256SS..  trans-62.7126.3168.300000110.1D457A455-D457 VanDerWaalsContact C-N 3.28Å; A455-D457 PolarHBondContact O-N 2.88Å
456L63Low83Confident15 Ų1544.6 Ų44.68%0.07925%0.248CC..SBendtrans-65.9-29.1-172.9-66.7-179.3000113.9Y23 N447 E451 H454 N458 I503 G506Y23-L456 HydrophobicContact CD1-CD2 4.28Å; Y23-L456 HydrophobicContact CE1-CD2 3.48Å; Y23-L456 VanDerWaalsContact CE1-CD2 3.48Å; N447-L456 HydrophobicContact CB-CD1 4.05Å; E451-L456 HydrophobicContact CG-CD1 3.59Å; E451-L456 HydrophobicContact CG-CD2 4.23Å; E451-L456 HydrophobicContact CG-CG 3.54Å; E451-L456 VanDerWaalsContact OE1-CD1 3.26Å; E451-L456 WeakPolarHBondContact OE1-CD1 3.3Å; H454-L456 PolarHBondContact O-N 3.3Å; L456-N458 PolarHBondContact O-N 2.72Å; L456-I503 HydrophobicContact CB-CG2 4.04Å; L456-I503 WeakPolarHBondContact O-CB 3.46Å; L456-I503 VanDerWaalsContact O-CG2 3.29Å; L456-I503 WeakPolarHBondContact O-CG2 3.38Å; L456-G506 WeakPolarHBondContact CD1-O 3.39Å
457D81.9Confident83.8Confident55 Ų5546.1 Ų46.129%0.29426%0.264SS..  trans-66.6120.8-174.9-79.18.1000111.1A455 I503 K504 Y505 G506A455-D457 VanDerWaalsContact C-N 3.28Å; A455-D457 PolarHBondContact O-N 2.88Å; D457-I503 WeakPolarHBondContact CA-O 3.3Å; D457-K504 VanDerWaalsContact OD1-C 3.24Å; D457-K504 VanDerWaalsContact OD1-CA 3.27Å; D457-K504 WeakPolarHBondContact OD1-CA 3.35Å; D457-Y505 PolarHBondContact OD1-N 3.24Å; D457-Y505 PolarHBondContact OD2-N 3.45Å; D457-G506 PolarHBondContact OD1-N 2.96Å
458N88.7Confident84.8Confident23 Ų2349.5 Ų49.512%0.12328%0.278CS..  trans-105.25.4177.166.314.3000112.9L456 L493 T494 I496 N501 I503L456-N458 PolarHBondContact O-N 2.72Å; N458-L493 PolarHBondContact O-N 3.32Å; N458-T494 HydrophobicContact CB-CG2 4.09Å; N458-I496 HydrophobicContact CB-CD1 4.47Å; N458-N501 PolarHBondContact ND2-O 2.69Å; N458-I503 PolarHBondContact N-O 3.09Å; N458-I503 PolarHBondContact OD1-N 3.25Å; N458-I503 PolarHBondContact OD1-O 3.39Å
459V92.9Very high85.6Confident4 Ų446.5 Ų46.52%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-130.5153.5170.2-64.50000110.8K490 F491 I496 V502 I503 K504 V522V459-K490 HydrophobicContact CB-CB 4.21Å; V459-K490 HydrophobicContact CB-CG 4.45Å; V459-K490 HydrophobicContact CG2-CB 4.44Å; V459-K490 HydrophobicContact CG2-CD 4.06Å; V459-K490 HydrophobicContact CG2-CG 4.17Å; V459-F491 CarbonylContact C-O 3.52Å; V459-F491 VanDerWaalsContact CA-O 3.25Å; V459-F491 WeakPolarHBondContact CA-O 3.35Å; V459-F491 WeakPolarHBondContact CB-O 3.07Å; V459-I496 HydrophobicContact CG1-CD1 4.1Å; V459-V502 HydrophobicContact CG1-CG1 3.61Å; V459-V502 HydrophobicContact CG2-CG1 4.13Å; V459-I503 WeakPolarHBondContact CG2-O 3.21Å; V459-K504 HydrophobicContact CG2-CB 4.08Å; V459-V522 HydrophobicContact CG1-CB 4.15Å; V459-V522 HydrophobicContact CG1-CG1 4.13Å; V459-V522 HydrophobicContact CG1-CG2 3.88Å
460A90.6Very high86.1Confident15 Ų1548.3 Ų48.312%0.12428%0.28CS..EExtended strand (participates in β ladder)trans-118.6155.3168.700000110.8V474 K490 F491 L493A460-V474 HydrophobicContact CB-CG2 4.08Å; A460-K490 CarbonylContact O-C 3.58Å; A460-K490 WeakPolarHBondContact O-CA 3.41Å; A460-F491 HydrophobicContact CB-CE1 3.96Å; A460-F491 HydrophobicContact CB-CE2 3.91Å; A460-F491 HydrophobicContact CB-CZ 3.56Å; A460-F491 PolarHBondContact N-O 3.47Å; A460-F491 PolarHBondContact O-N 3.29Å; A460-L493 HydrophobicContact CB-CD1 4.28Å; A460-L493 HydrophobicContact CB-CD2 3.71Å; A460-L493 HydrophobicContact CB-CG 4.09Å
461V91.8Very high86.6Confident24 Ų2454.6 Ų54.615%0.14531%0.309CS..EExtended strand (participates in β ladder)trans-98.4128.3177.4-179.20000110L463 H489 K490 L717 I720V461-L463 PolarHBondContact O-N 2.86Å; V461-H489 CarbonylContact C-O 3.53Å; V461-H489 WeakPolarHBondContact CA-O 3.42Å; V461-K490 HydrophobicContact CG2-CG 3.95Å; V461-L717 HydrophobicContact CG1-CD2 4.21Å; V461-I720 HydrophobicContact CB-CD1 3.79Å; V461-I720 HydrophobicContact CG1-CD1 3.88Å; V461-I720 HydrophobicContact CG2-CD1 3.98Å
462A93.3Very high86.8Confident1 Ų150.8 Ų50.81%0.00829%0.293CS..  trans-69.6117.4174.800000110.5A464 L466 V485 G488 H489A462-A464 VanDerWaalsContact C-N 3.29Å; A462-A464 WeakPolarHBondContact CB-O 3.4Å; A462-L466 HydrophobicContact CB-CD1 3.84Å; A462-L466 HydrophobicContact CB-CG 4.25Å; A462-V485 HydrophobicContact CB-CG1 3.8Å; A462-G488 PolarHBondContact O-N 2.74Å; A462-H489 PolarHBondContact N-O 3.28Å
463L89.6Confident86.6Confident82 Ų8251.7 Ų51.743%0.42931%0.306SS..SBendtrans-79.9-12.3179.4-56.7-175.9000113.3V461 R487 L717 I898V461-L463 PolarHBondContact O-N 2.86Å; L463-R487 WeakPolarHBondContact O-CG 3.33Å; L463-L717 HydrophobicContact CD2-CD2 3.86Å; L463-I898 HydrophobicContact CD1-CB 4.43Å; L463-I898 HydrophobicContact CD1-CG2 4.38Å; L463-I898 HydrophobicContact CD2-CG2 3.99Å
464A90.5Very high86.2Confident51 Ų5152 Ų5242%0.42131%0.308SS..SBendtrans-144.2174.1174.400000109.2A462 L466A462-A464 VanDerWaalsContact C-N 3.29Å; A462-A464 WeakPolarHBondContact CB-O 3.4Å; A464-L466 PolarHBondContact O-N 2.91Å
465D94.2Very high85.9Confident124 Ų12455.4 Ų55.466%0.66333%0.329SS*.  trans-69124.5169.6-64.3-29.9000109.1A486 R487D465-A486 WeakPolarHBondContact OD1-CA 3.31Å; D465-R487 PolarHBondContact OD1-N 3.41Å
466L96.1Very high85.8Confident39 Ų3957.6 Ų57.620%0.20433%0.333CS..BIsolated β-bridgetrans-116.8127.7-177.9-56.6176.9000109.6A462 A464 V472 L481 D484 V485 F491A462-L466 HydrophobicContact CB-CD1 3.84Å; A462-L466 HydrophobicContact CB-CG 4.25Å; A464-L466 PolarHBondContact O-N 2.91Å; L466-V472 HydrophobicContact CD1-CG2 4Å; L466-L481 HydrophobicContact CB-CD1 3.36Å; L466-L481 HydrophobicContact CD1-CD1 3.9Å; L466-L481 HydrophobicContact CG-CD1 4.27Å; L466-D484 CarbonylContact O-C 3.54Å; L466-D484 WeakPolarHBondContact O-CA 3.43Å; L466-V485 PolarHBondContact N-O 3.44Å; L466-V485 PolarHBondContact O-N 2.81Å; L466-F491 HydrophobicContact CD1-CE1 4.38Å
467A97.7Very high85.9Confident55 Ų5560.4 Ų60.446%0.45535%0.345SS..  trans-76.7152.4-18000000111.6G469 T470 D484A467-G469 PolarHBondContact O-N 2.95Å; A467-T470 PolarHBondContact N-OG1 3.12Å; A467-T470 WeakPolarHBondContact O-CB 3.35Å; A467-T470 PolarHBondContact O-N 3.49Å; A467-T470 VanDerWaalsContact O-N 3.1Å; A467-T470 PolarHBondContact O-OG1 2.96Å; A467-D484 WeakPolarHBondContact CA-OD1 3.35Å
468E98Very high85.9Confident130 Ų13062 Ų6261%0.60736%0.357SS*.THydrogen-bonded Turntrans-48.6138.2167.4-177.6179.1156.800111T470 D484E468-T470 PolarHBondContact O-N 3.17Å; E468-D484 PolarHBondContact N-OD1 3.28Å
469G96Very high85.8Confident24 Ų2461.1 Ų61.125%0.24735%0.353CS..THydrogen-bonded Turntrans81.1-5-179.900000114.9A467 E471 R480 L481A467-G469 PolarHBondContact O-N 2.95Å; G469-E471 PolarHBondContact O-N 2.77Å; G469-R480 PolarHBondContact O-NE 3.33Å; G469-L481 WeakPolarHBondContact CA-O 3.27Å; G469-L481 PolarHBondContact N-O 2.89Å
470T95Very high85.9Confident49 Ų4968.6 Ų68.630%0.30138%0.381SS..  trans-59.1131.8170.6-57.50000109.9A467 E468 V472 R480 L481A467-T470 PolarHBondContact N-OG1 3.12Å; A467-T470 WeakPolarHBondContact O-CB 3.35Å; A467-T470 PolarHBondContact O-N 3.49Å; A467-T470 VanDerWaalsContact O-N 3.1Å; A467-T470 PolarHBondContact O-OG1 2.96Å; E468-T470 PolarHBondContact O-N 3.17Å; T470-V472 HydrophobicContact CG2-CG2 4.11Å; T470-R480 WeakPolarHBondContact O-CA 3.37Å; T470-L481 PolarHBondContact O-N 3.13Å
471E92.1Very high86.2Confident133 Ų13368 Ų6862%0.62138%0.375SS*.EExtended strand (participates in β ladder)trans-92.9118.2171-68.1-170.7162.600109.7G469 T478 R480G469-E471 PolarHBondContact O-N 2.77Å; E471-T478 HydrophobicContact CB-CG2 3.95Å; E471-T478 HydrophobicContact CG-CG2 4.4Å; E471-R480 HydrophobicContact CG-CB 4.14Å; E471-R480 HydrophobicContact CG-CG 4.15Å
472V84Confident86.5Confident30 Ų3073.4 Ų73.418%0.18239%0.393CS..EExtended strand (participates in β ladder)trans-109.6132.8179.4-171.30000108.4L466 T470 V474 T478 V479 L481 F491L466-V472 HydrophobicContact CD1-CG2 4Å; T470-V472 HydrophobicContact CG2-CG2 4.11Å; V472-V474 HydrophobicContact CG1-CG2 4.04Å; V472-T478 CarbonylContact O-C 3.45Å; V472-T478 WeakPolarHBondContact O-CA 3.31Å; V472-V479 PolarHBondContact N-O 2.83Å; V472-V479 PolarHBondContact O-N 3.34Å; V472-L481 HydrophobicContact CG2-CD1 4.3Å; V472-L481 HydrophobicContact CG2-CD2 4.42Å; V472-L481 HydrophobicContact CG2-CG 4.21Å; V472-F491 HydrophobicContact CB-CE2 4.44Å; V472-F491 HydrophobicContact CB-CZ 4.2Å; V472-F491 HydrophobicContact CG1-CZ 3.94Å; V472-F491 HydrophobicContact CG2-CZ 4.37Å
473S77Confident86.7Confident79 Ų7976.8 Ų76.855%0.55241%0.409SS*.EExtended strand (participates in β ladder)trans-103.8118.1173.2-1640000109.8Q477S473-Q477 WeakPolarHBondContact CA-O 3.48Å
474V70.2Confident87.1Confident36 Ų3678.3 Ų78.322%0.21842%0.417CS..EExtended strand (participates in β ladder)trans-122.2121.7174.5-175.90000107.1A460 V472 N476 Q477 F491 L493A460-V474 HydrophobicContact CB-CG2 4.08Å; V472-V474 HydrophobicContact CG1-CG2 4.04Å; V474-N476 PolarHBondContact O-N 2.79Å; V474-N476 VanDerWaalsContact O-N 3.12Å; V474-Q477 PolarHBondContact N-O 3.46Å; V474-Q477 WeakPolarHBondContact O-CA 3.16Å; V474-Q477 WeakPolarHBondContact O-CB 3.14Å; V474-Q477 PolarHBondContact O-N 3.03Å; V474-F491 HydrophobicContact CG2-CZ 4.38Å; V474-L493 HydrophobicContact CB-CD2 3.81Å; V474-L493 HydrophobicContact CG1-CD1 4.31Å; V474-L493 HydrophobicContact CG1-CD2 4.16Å; V474-L493 HydrophobicContact CG2-CD2 3.86Å
475D60Low87.4Confident137 Ų13776 Ų7673%0.73340%0.398SS*.THydrogen-bonded Turntrans47.542.3-179.2-59.4-33.6000114.8Q477D475-Q477 PolarHBondContact O-N 3.29Å
476N58.7Low87.5Confident103 Ų10372.1 Ų72.155%0.55138%0.383SS*.THydrogen-bonded Turntrans68.36-175.1-54.1-55000116F30 V474F30-N476 HydrophobicContact CE1-CB 4.17Å; F30-N476 HydrophobicContact CZ-CB 3.82Å; V474-N476 PolarHBondContact O-N 2.79Å; V474-N476 VanDerWaalsContact O-N 3.12Å
477Q66.3Low87.4Confident75 Ų7573.3 Ų73.335%0.3539%0.385SS..EExtended strand (participates in β ladder)trans-91.1116167.9-173.31701.400109.7S473 V474 D475 V479 L493S473-Q477 WeakPolarHBondContact CA-O 3.48Å; V474-Q477 PolarHBondContact N-O 3.46Å; V474-Q477 WeakPolarHBondContact O-CA 3.16Å; V474-Q477 WeakPolarHBondContact O-CB 3.14Å; V474-Q477 PolarHBondContact O-N 3.03Å; D475-Q477 PolarHBondContact O-N 3.29Å; Q477-V479 HydrophobicContact CG-CG2 3.99Å; Q477-L493 PolarHBondContact NE2-O 3.34Å
478T81.5Confident87.2Confident88 Ų8870.8 Ų70.854%0.5436%0.364SS..EExtended strand (participates in β ladder)trans-86.8123.4171.8-56.20000109.7E471 V472E471-T478 HydrophobicContact CB-CG2 3.95Å; E471-T478 HydrophobicContact CG-CG2 4.4Å; V472-T478 CarbonylContact O-C 3.45Å; V472-T478 WeakPolarHBondContact O-CA 3.31Å
479V87Confident87.2Confident5 Ų565.5 Ų65.53%0.0334%0.339CS..EExtended strand (participates in β ladder)trans-121.5125.6178.8-179.10000108.3V472 Q477 F491 L493V472-V479 PolarHBondContact N-O 2.83Å; V472-V479 PolarHBondContact O-N 3.34Å; Q477-V479 HydrophobicContact CG-CG2 3.99Å; V479-F491 HydrophobicContact CG1-CD2 4.36Å; V479-L493 HydrophobicContact CG2-CD2 4.3Å; V479-L493 WeakPolarHBondContact CG2-O 3.33Å
480R95Very high87.2Confident161 Ų16164.4 Ų64.461%0.60833%0.328SS*.EExtended strand (participates in β ladder)trans-91122.1173.7-173.4172178-174.8-4.4109.7G469 T470 E471G469-R480 PolarHBondContact O-NE 3.33Å; T470-R480 WeakPolarHBondContact O-CA 3.37Å; E471-R480 HydrophobicContact CG-CB 4.14Å; E471-R480 HydrophobicContact CG-CG 4.15Å
481L97.1Very high87.3Confident3 Ų362.2 Ų62.22%0.01631%0.314CS..  trans-65.7135.3-180-61-174.2000111.3L466 G469 T470 V472 V485 F491 G519L466-L481 HydrophobicContact CB-CD1 3.36Å; L466-L481 HydrophobicContact CD1-CD1 3.9Å; L466-L481 HydrophobicContact CG-CD1 4.27Å; G469-L481 WeakPolarHBondContact CA-O 3.27Å; G469-L481 PolarHBondContact N-O 2.89Å; T470-L481 PolarHBondContact O-N 3.13Å; V472-L481 HydrophobicContact CG2-CD1 4.3Å; V472-L481 HydrophobicContact CG2-CD2 4.42Å; V472-L481 HydrophobicContact CG2-CG 4.21Å; L481-V485 HydrophobicContact CD1-CB 4.32Å; L481-V485 HydrophobicContact CD1-CG2 4.06Å; L481-V485 HydrophobicContact CD2-CG2 4.23Å; L481-F491 HydrophobicContact CD2-CB 3.92Å; L481-F491 HydrophobicContact CD2-CD1 4.04Å; L481-F491 HydrophobicContact CD2-CD2 3.69Å; L481-F491 HydrophobicContact CD2-CE2 4.2Å; L481-F491 HydrophobicContact CD2-CG 3.6Å; L481-G519 WeakPolarHBondContact CA-O 3.4Å
482R97.4Very high87.5Confident137 Ų13755.9 Ų55.952%0.51728%0.284SS..SBendtrans-94.8-11.3-177.7-68.5178.4173.7-94.20.3113.6A518 G519R482-A518 WeakPolarHBondContact CD-O 3.19Å; R482-A518 PolarHBondContact NE-O 3.4Å; R482-G519 PolarHBondContact N-O 2.98Å
483Q97.5Very high87.8Confident72 Ų7255.1 Ų55.134%0.33628%0.279SS..SBendtrans-150.4169175.7-57.888.5-600108.4V485Q483-V485 PolarHBondContact O-N 3.12Å
484D97.8Very high88.3Confident113 Ų11354.5 Ų54.560%0.60427%0.272SS*.  trans-59.6133.7164.7-66.8-16.5000110.2L466 A467 E468L466-D484 CarbonylContact O-C 3.54Å; L466-D484 WeakPolarHBondContact O-CA 3.43Å; A467-D484 WeakPolarHBondContact CA-OD1 3.35Å; E468-D484 PolarHBondContact N-OD1 3.28Å
485V97.7Very high89.2Confident2 Ų258.1 Ų58.11%0.01229%0.291CS..BIsolated β-bridgetrans-121.5111.2176-174.40000108.3A462 L466 L481 Q483 H489 F491 H521A462-V485 HydrophobicContact CB-CG1 3.8Å; L466-V485 PolarHBondContact N-O 3.44Å; L466-V485 PolarHBondContact O-N 2.81Å; L481-V485 HydrophobicContact CD1-CB 4.32Å; L481-V485 HydrophobicContact CD1-CG2 4.06Å; L481-V485 HydrophobicContact CD2-CG2 4.23Å; Q483-V485 PolarHBondContact O-N 3.12Å; V485-H489 HydrophobicContact CG1-CB 3.87Å; V485-F491 HydrophobicContact CG1-CD1 4.34Å; V485-F491 HydrophobicContact CG2-CB 4.24Å; V485-H521 HydrophobicContact CG2-CB 4.31Å
486A96.1Very high90.6Very high44 Ų4451.9 Ų51.936%0.36426%0.257SS..  trans-69154.6178.900000111.7D465 G488 H489D465-A486 WeakPolarHBondContact OD1-CA 3.31Å; A486-G488 PolarHBondContact O-N 2.94Å; A486-H489 VanDerWaalsContact O-CB 3.22Å; A486-H489 WeakPolarHBondContact O-CB 3.45Å; A486-H489 PolarHBondContact O-N 2.81Å
487R93.9Very high92.1Very high64 Ų6449.8 Ų49.824%0.24225%0.254CS..THydrogen-bonded Turntrans-53.4134.7175.3-176.1-18069.7173.715.2112.2L463 D465 H489 L717 N879 E881L463-R487 WeakPolarHBondContact O-CG 3.33Å; D465-R487 PolarHBondContact OD1-N 3.41Å; R487-H489 PolarHBondContact O-N 3.39Å; R487-L717 HydrophobicContact CG-CD1 3.92Å; R487-N879 VanDerWaalsContact NH2-CG 3.3Å; R487-N879 PolarHBondContact NH2-OD1 3.2Å; R487-E881 IonicContact CZ-OE2 3.98Å; R487-E881 IonicContact NH1-OE1 3.12Å; R487-E881 PolarHBondContact NH1-OE1 3.13Å; R487-E881 VanDerWaalsContact NH1-OE1 3.14Å; R487-E881 IonicContact NH1-OE2 2.89Å; R487-E881 PolarHBondContact NH1-OE2 3.31Å
488G92.9Very high93.4Very high1 Ų153.3 Ų53.31%0.0127%0.268CS..THydrogen-bonded Turntrans82.9-11.6-17700000113.8A462 A486 G716A462-G488 PolarHBondContact O-N 2.74Å; A486-G488 PolarHBondContact O-N 2.94Å; G488-G716 WeakPolarHBondContact O-CA 3.35Å
489H97.8Very high93.7Very high20 Ų2051.4 Ų51.49%0.09327%0.266CS..  trans-81.5162.7174.4-70.6-114.5000111.5V461 A462 V485 A486 R487 H521 G798V461-H489 CarbonylContact C-O 3.53Å; V461-H489 WeakPolarHBondContact CA-O 3.42Å; A462-H489 PolarHBondContact N-O 3.28Å; V485-H489 HydrophobicContact CG1-CB 3.87Å; A486-H489 VanDerWaalsContact O-CB 3.22Å; A486-H489 WeakPolarHBondContact O-CB 3.45Å; A486-H489 PolarHBondContact O-N 2.81Å; R487-H489 PolarHBondContact O-N 3.39Å; H489-H521 AromaticContact CE1-NE2 3.96Å; H489-H521 AromaticContact CG-NE2 3.58Å; H489-H521 AromaticContact ND1-CE1 3.51Å; H489-H521 AromaticContact ND1-NE2 2.88Å; H489-H521 PolarHBondContact ND1-NE2 2.85Å; H489-G798 VanDerWaalsContact CD2-CA 3.45Å; H489-G798 WeakPolarHBondContact CD2-CA 3.34Å; H489-G798 WeakPolarHBondContact NE2-CA 3.44Å; H489-G798 PolarHBondContact NE2-N 3.11Å
490K96.8Very high93.7Very high0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-102.5152.7-178.3-71.6153.9-74.6-72.30111.7V459 A460 V461 K504 I509 H521 V522 G798 T800 D804V459-K490 HydrophobicContact CB-CB 4.21Å; V459-K490 HydrophobicContact CB-CG 4.45Å; V459-K490 HydrophobicContact CG2-CB 4.44Å; V459-K490 HydrophobicContact CG2-CD 4.06Å; V459-K490 HydrophobicContact CG2-CG 4.17Å; A460-K490 CarbonylContact O-C 3.58Å; A460-K490 WeakPolarHBondContact O-CA 3.41Å; V461-K490 HydrophobicContact CG2-CG 3.95Å; K490-K504 HydrophobicContact CD-CD 4.35Å; K490-I509 HydrophobicContact CD-CD1 3.69Å; K490-H521 PolarHBondContact O-CD2 2.96Å; K490-V522 HydrophobicContact CB-CB 4.02Å; K490-V522 PolarHBondContact O-N 2.83Å; K490-G798 PolarHBondContact NZ-O 2.88Å; K490-T800 WeakPolarHBondContact CE-OG1 3.41Å; K490-T800 PolarHBondContact NZ-OG1 2.65Å; K490-D804 WeakPolarHBondContact CE-OD2 3.36Å; K490-D804 IonicContact NZ-OD1 2.86Å; K490-D804 IonicContact NZ-OD2 2.66Å; K490-D804 PolarHBondContact NZ-OD2 2.92Å
491F96.9Very high93.4Very high3 Ų348.5 Ų48.51%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-131.7149.4164.858.4-87.1000110.1V459 A460 L466 V472 V474 V479 L481 V485 L493 E520V459-F491 CarbonylContact C-O 3.52Å; V459-F491 VanDerWaalsContact CA-O 3.25Å; V459-F491 WeakPolarHBondContact CA-O 3.35Å; V459-F491 WeakPolarHBondContact CB-O 3.07Å; A460-F491 HydrophobicContact CB-CE1 3.96Å; A460-F491 HydrophobicContact CB-CE2 3.91Å; A460-F491 HydrophobicContact CB-CZ 3.56Å; A460-F491 PolarHBondContact N-O 3.47Å; A460-F491 PolarHBondContact O-N 3.29Å; L466-F491 HydrophobicContact CD1-CE1 4.38Å; V472-F491 HydrophobicContact CB-CE2 4.44Å; V472-F491 HydrophobicContact CB-CZ 4.2Å; V472-F491 HydrophobicContact CG1-CZ 3.94Å; V472-F491 HydrophobicContact CG2-CZ 4.37Å; V474-F491 HydrophobicContact CG2-CZ 4.38Å; V479-F491 HydrophobicContact CG1-CD2 4.36Å; L481-F491 HydrophobicContact CD2-CB 3.92Å; L481-F491 HydrophobicContact CD2-CD1 4.04Å; L481-F491 HydrophobicContact CD2-CD2 3.69Å; L481-F491 HydrophobicContact CD2-CE2 4.2Å; L481-F491 HydrophobicContact CD2-CG 3.6Å; V485-F491 HydrophobicContact CG1-CD1 4.34Å; V485-F491 HydrophobicContact CG2-CB 4.24Å; F491-L493 HydrophobicContact CE2-CD2 4.01Å; F491-L493 PolarHBondContact O-N 3.44Å; F491-E520 CarbonylContact C-O 2.92Å; F491-E520 VanDerWaalsContact CA-O 3.22Å; F491-E520 WeakPolarHBondContact CA-O 3.45Å
492A96.3Very high93.3Very high0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-71129.4-178.600000110.5T494 I496 I516 G519 E520 V522A492-T494 WeakPolarHBondContact CB-O 3.37Å; A492-I496 HydrophobicContact CB-CD1 4.03Å; A492-I496 HydrophobicContact CB-CG1 4.48Å; A492-I516 HydrophobicContact CB-CG2 3.78Å; A492-G519 PolarHBondContact O-N 3.36Å; A492-E520 PolarHBondContact N-O 3.1Å; A492-V522 HydrophobicContact CB-CG2 3.89Å
493L90.4Very high92.9Very high15 Ų1543.3 Ų43.38%0.07925%0.25CC..SBendtrans-75.5-36.9174-68.3175.2000110.5N458 A460 V474 Q477 V479 F491N458-L493 PolarHBondContact O-N 3.32Å; A460-L493 HydrophobicContact CB-CD1 4.28Å; A460-L493 HydrophobicContact CB-CD2 3.71Å; A460-L493 HydrophobicContact CB-CG 4.09Å; V474-L493 HydrophobicContact CB-CD2 3.81Å; V474-L493 HydrophobicContact CG1-CD1 4.31Å; V474-L493 HydrophobicContact CG1-CD2 4.16Å; V474-L493 HydrophobicContact CG2-CD2 3.86Å; Q477-L493 PolarHBondContact NE2-O 3.34Å; V479-L493 HydrophobicContact CG2-CD2 4.3Å; V479-L493 WeakPolarHBondContact CG2-O 3.33Å; F491-L493 HydrophobicContact CE2-CD2 4.01Å; F491-L493 PolarHBondContact O-N 3.44Å
494T86.9Confident92.3Very high66 Ų6640 Ų4041%0.40524%0.235SC..SBendtrans-126.9175.4179.2-172.90000111N458 A492 I496N458-T494 HydrophobicContact CB-CG2 4.09Å; A492-T494 WeakPolarHBondContact CB-O 3.37Å; T494-I496 PolarHBondContact O-N 3.35Å
495N89.7Confident91.4Very high112 Ų11237.8 Ų37.860%0.59922%0.218SC*.  trans-69.5128.5168.5-65.6-20.3000109.2I516 A517 A518N495-I516 CarbonylContact C-O 3.51Å; N495-I516 VanDerWaalsContact CA-O 3.3Å; N495-I516 WeakPolarHBondContact CA-O 3.34Å; N495-A517 WeakPolarHBondContact OD1-CA 3.48Å; N495-A518 PolarHBondContact OD1-N 3.32Å
496I89.7Confident90.2Very high6 Ų638.3 Ų38.33%0.03122%0.224CC..BIsolated β-bridgetrans-112.2113.8177.8-54170.6000107.4N458 V459 A492 T494 A500 V502 A512 D515 I516N458-I496 HydrophobicContact CB-CD1 4.47Å; V459-I496 HydrophobicContact CG1-CD1 4.1Å; A492-I496 HydrophobicContact CB-CD1 4.03Å; A492-I496 HydrophobicContact CB-CG1 4.48Å; T494-I496 PolarHBondContact O-N 3.35Å; I496-A500 HydrophobicContact CG2-CB 3.94Å; I496-V502 HydrophobicContact CD1-CG2 4.44Å; I496-A512 HydrophobicContact CG2-CB 3.92Å; I496-D515 WeakPolarHBondContact O-CA 3.5Å; I496-I516 HydrophobicContact CB-CB 4.21Å; I496-I516 PolarHBondContact N-O 3.15Å; I496-I516 PolarHBondContact O-N 3.25Å
497A88.8Confident89.5Confident59 Ų5938.8 Ų38.849%0.48822%0.22SC..  trans-66.2149.7179.700000111.3G499 A500 D515A497-G499 PolarHBondContact O-N 3.31Å; A497-A500 HydrophobicContact CB-CB 4.46Å; A497-A500 WeakPolarHBondContact O-CB 3.36Å; A497-A500 PolarHBondContact O-N 3.3Å; A497-D515 WeakPolarHBondContact CA-OD1 3.3Å
498K94.1Very high89.2Confident149 Ų14937.8 Ų37.865%0.64822%0.222SC*.THydrogen-bonded Turntrans-51.3128.9171.9-180176178.3176.90110.9A500 L513 D515K498-A500 VanDerWaalsContact C-N 3.28Å; K498-L513 VanDerWaalsContact CE-O 3.26Å; K498-L513 WeakPolarHBondContact CE-O 3.37Å; K498-D515 PolarHBondContact N-OD1 3.46Å
499G88.1Confident89.2Confident48 Ų4837.8 Ų37.850%0.49522%0.222SC..THydrogen-bonded Turntrans84.6-9.9-178.400000114.6A497 A512A497-G499 PolarHBondContact O-N 3.31Å; G499-A512 PolarHBondContact N-O 2.93Å
500A86.5Confident89Confident39 Ų3936.8 Ų36.832%0.32222%0.217SC..PPolyproline II helixtrans-73.8153.8173.500000111.3I496 A497 K498 Y511 A512I496-A500 HydrophobicContact CG2-CB 3.94Å; A497-A500 HydrophobicContact CB-CB 4.46Å; A497-A500 WeakPolarHBondContact O-CB 3.36Å; A497-A500 PolarHBondContact O-N 3.3Å; K498-A500 VanDerWaalsContact C-N 3.28Å; A500-Y511 CarbonylContact O-C 3.47Å; A500-Y511 VanDerWaalsContact O-CA 3.25Å; A500-Y511 WeakPolarHBondContact O-CA 3.5Å; A500-A512 PolarHBondContact O-N 3.41Å
501N89.7Confident88.8Confident66 Ų6639.4 Ų39.435%0.35323%0.227SC..EExtended strand (participates in β ladder)trans-69.3138177.6-77.7-29.9000111.4N458 I503 P508 G510 N530N458-N501 PolarHBondContact ND2-O 2.69Å; N501-I503 HydrophobicContact CB-CG1 4.06Å; N501-P508 HydrophobicContact CB-CB 4.19Å; N501-P508 HydrophobicContact CB-CG 4.43Å; N501-G510 CarbonylContact C-O 3.19Å; N501-G510 WeakPolarHBondContact CA-O 3.45Å; N501-N530 PolarHBondContact OD1-ND2 3.41Å
502V94.1Very high88.8Confident0 Ų039.3 Ų39.30%023%0.227CC..EExtended strand (participates in β ladder)trans-89.3119162.6-179.30000106.6V459 I496 P508 I509 G510 V522 T527V459-V502 HydrophobicContact CG1-CG1 3.61Å; V459-V502 HydrophobicContact CG2-CG1 4.13Å; I496-V502 HydrophobicContact CD1-CG2 4.44Å; V502-P508 WeakPolarHBondContact O-CA 3.32Å; V502-I509 HydrophobicContact CB-CG1 4.05Å; V502-I509 HydrophobicContact CG1-CD1 3.81Å; V502-I509 HydrophobicContact CG1-CG1 3.74Å; V502-I509 WeakPolarHBondContact O-CG1 3.39Å; V502-I509 PolarHBondContact O-N 3.5Å; V502-G510 PolarHBondContact N-O 2.93Å; V502-V522 HydrophobicContact CG1-CG1 3.78Å; V502-V522 HydrophobicContact CG2-CG1 4.22Å; V502-T527 HydrophobicContact CB-CG2 4.11Å; V502-T527 HydrophobicContact CG2-CG2 3.77Å
503I88.4Confident88.9Confident30 Ų3042.2 Ų42.215%0.15424%0.242CC..EExtended strand (participates in β ladder)trans-113.5125.7-170.1-55.8176.1000109.5L456 D457 N458 V459 N501 L507L456-I503 HydrophobicContact CB-CG2 4.04Å; L456-I503 WeakPolarHBondContact O-CB 3.46Å; L456-I503 VanDerWaalsContact O-CG2 3.29Å; L456-I503 WeakPolarHBondContact O-CG2 3.38Å; D457-I503 WeakPolarHBondContact CA-O 3.3Å; N458-I503 PolarHBondContact N-O 3.09Å; N458-I503 PolarHBondContact OD1-N 3.25Å; N458-I503 PolarHBondContact OD1-O 3.39Å; V459-I503 WeakPolarHBondContact CG2-O 3.21Å; N501-I503 HydrophobicContact CB-CG1 4.06Å; I503-L507 WeakPolarHBondContact CA-O 3.25Å
504K86.1Confident89.2Confident4 Ų443.8 Ų43.82%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-141.9140.8177.4-175.4-158.6-173.2-160.90108.1D457 V459 K490 G506 L507 I509 D804D457-K504 VanDerWaalsContact OD1-C 3.24Å; D457-K504 VanDerWaalsContact OD1-CA 3.27Å; D457-K504 WeakPolarHBondContact OD1-CA 3.35Å; V459-K504 HydrophobicContact CG2-CB 4.08Å; K490-K504 HydrophobicContact CD-CD 4.35Å; K504-G506 PolarHBondContact O-N 3.2Å; K504-L507 PolarHBondContact N-O 2.92Å; K504-L507 PolarHBondContact O-N 3.08Å; K504-I509 HydrophobicContact CB-CD1 4.15Å; K504-I509 HydrophobicContact CB-CG1 4.34Å; K504-I509 HydrophobicContact CB-CG2 3.78Å; K504-I509 HydrophobicContact CD-CD1 4.42Å; K504-I509 HydrophobicContact CD-CG2 4.29Å; K504-D804 WeakPolarHBondContact CD-OD1 3.26Å; K504-D804 IonicContact NZ-OD1 3.55Å; K504-D804 PolarHBondContact NZ-OD1 2.95Å
505Y78.7Confident89.6Confident65 Ų6546.3 Ų46.326%0.25527%0.268SS..THydrogen-bonded Turntrans61.127.4-174.7-46.5-60000112.9D457 L507 G719 I720 L807D457-Y505 PolarHBondContact OD1-N 3.24Å; D457-Y505 PolarHBondContact OD2-N 3.45Å; Y505-L507 PolarHBondContact O-N 3.41Å; Y505-G719 WeakPolarHBondContact CE1-O 3.21Å; Y505-G719 VanDerWaalsContact OH-C 3.3Å; Y505-G719 WeakPolarHBondContact OH-CA 3.18Å; Y505-G719 PolarHBondContact OH-O 2.84Å; Y505-G719 VanDerWaalsContact OH-O 3.11Å; Y505-I720 HydrophobicContact CE1-CG1 4.43Å; Y505-L807 HydrophobicContact CD2-CB 3.88Å; Y505-L807 HydrophobicContact CE2-CB 4.41Å
506G73.1Confident90Very high13 Ų1341 Ų4113%0.13424%0.24CC..THydrogen-bonded Turntrans75.5-2.8-17500000115L456 D457 K504L456-G506 WeakPolarHBondContact CD1-O 3.39Å; D457-G506 PolarHBondContact OD1-N 2.96Å; K504-G506 PolarHBondContact O-N 3.2Å
507L80.9Confident90.3Very high54 Ų5441.8 Ų41.828%0.28325%0.248SC..EExtended strand (participates in β ladder)trans-125.2151.2-173.6-70168.3000112.5I503 K504 Y505 I509 L754 L807I503-L507 WeakPolarHBondContact CA-O 3.25Å; K504-L507 PolarHBondContact N-O 2.92Å; K504-L507 PolarHBondContact O-N 3.08Å; Y505-L507 PolarHBondContact O-N 3.41Å; L507-I509 PolarHBondContact O-N 3.5Å; L507-L754 HydrophobicContact CD1-CD1 3.94Å; L507-L754 HydrophobicContact CD1-CD2 4.08Å; L507-L754 HydrophobicContact CD1-CG 4.36Å; L507-L807 HydrophobicContact CB-CD1 3.81Å; L507-L807 HydrophobicContact CB-CD2 4.09Å; L507-L807 HydrophobicContact CD1-CD2 3.49Å; L507-L807 VanDerWaalsContact CD1-CD2 3.49Å; L507-L807 HydrophobicContact CG-CD2 4.44Å
508P87.9Confident90.6Very high44 Ų4440.3 Ų40.329%0.28624%0.235SC..EExtended strand (participates in β ladder)trans-62.8122.1175.8-2233.8000111.4N501 V502N501-P508 HydrophobicContact CB-CB 4.19Å; N501-P508 HydrophobicContact CB-CG 4.43Å; V502-P508 WeakPolarHBondContact O-CA 3.32Å
509I92.8Very high90.7Very high0 Ų033.2 Ų33.20%020%0.204CC..EExtended strand (participates in β ladder)trans-90.9-4.9167.459.8164.6000112.1K490 V502 K504 L507 T801 D804 L807K490-I509 HydrophobicContact CD-CD1 3.69Å; V502-I509 HydrophobicContact CB-CG1 4.05Å; V502-I509 HydrophobicContact CG1-CD1 3.81Å; V502-I509 HydrophobicContact CG1-CG1 3.74Å; V502-I509 WeakPolarHBondContact O-CG1 3.39Å; V502-I509 PolarHBondContact O-N 3.5Å; K504-I509 HydrophobicContact CB-CD1 4.15Å; K504-I509 HydrophobicContact CB-CG1 4.34Å; K504-I509 HydrophobicContact CB-CG2 3.78Å; K504-I509 HydrophobicContact CD-CD1 4.42Å; K504-I509 HydrophobicContact CD-CG2 4.29Å; L507-I509 PolarHBondContact O-N 3.5Å; I509-T801 VanDerWaalsContact O-CB 3.23Å; I509-T801 WeakPolarHBondContact O-CB 3.47Å; I509-T801 WeakPolarHBondContact O-CG2 3.4Å; I509-T801 PolarHBondContact O-OG1 2.93Å; I509-D804 HydrophobicContact CB-CB 4.04Å; I509-D804 HydrophobicContact CD1-CB 4.29Å; I509-D804 HydrophobicContact CG2-CB 4.03Å; I509-L807 HydrophobicContact CG2-CD1 3.84Å
510G93.3Very high91.1Very high0 Ų032.9 Ų32.90%019%0.19CC..EExtended strand (participates in β ladder)trans154.7-169.9-177.700000110.9N501 V502 R528 N530N501-G510 CarbonylContact C-O 3.19Å; N501-G510 WeakPolarHBondContact CA-O 3.45Å; V502-G510 PolarHBondContact N-O 2.93Å; G510-R528 CarbonylContact C-O 3.59Å; G510-R528 WeakPolarHBondContact CA-O 3.45Å; G510-N530 WeakPolarHBondContact CA-ND2 3.42Å
511Y93.3Very high91.7Very high54 Ų5432.7 Ų32.721%0.21218%0.182CC..EExtended strand (participates in β ladder)trans-126.5153.8175.866-85.1000112.4A500 L513 T527 R528 T529 N530A500-Y511 CarbonylContact O-C 3.47Å; A500-Y511 VanDerWaalsContact O-CA 3.25Å; A500-Y511 WeakPolarHBondContact O-CA 3.5Å; Y511-L513 HydrophobicContact CE2-CD2 4.09Å; Y511-T527 WeakPolarHBondContact O-CA 3.38Å; Y511-R528 WeakPolarHBondContact CD1-O 3.4Å; Y511-R528 HydrophobicContact CE1-CB 4.26Å; Y511-R528 HydrophobicContact CE1-CG 4.47Å; Y511-R528 PolarHBondContact N-O 3.31Å; Y511-R528 PolarHBondContact O-N 2.79Å; Y511-R528 PolarHBondContact OH-NE 2.92Å; Y511-R528 PolarHBondContact OH-NH2 3.39Å; Y511-T529 WeakPolarHBondContact CE1-O 3.46Å; Y511-N530 WeakPolarHBondContact CD1-OD1 3.21Å
512A96.7Very high92.1Very high1 Ų129.5 Ų29.51%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-72.6130.8-178.900000112I496 G499 A500 A514 I516 N526I496-A512 HydrophobicContact CG2-CB 3.92Å; G499-A512 PolarHBondContact N-O 2.93Å; A500-A512 PolarHBondContact O-N 3.41Å; A512-A514 WeakPolarHBondContact CB-O 3.47Å; A512-I516 HydrophobicContact CB-CD1 3.74Å; A512-I516 HydrophobicContact CB-CG1 4.19Å; A512-N526 CarbonylContact C-O 3.52Å; A512-N526 WeakPolarHBondContact CA-O 2.87Å
513L96.9Very high92.2Very high62 Ų6230.6 Ų30.633%0.32517%0.17SC..SBendtrans-81.5-20.9178.4-67.6175.5000113.2K498 Y511 N526 R528K498-L513 VanDerWaalsContact CE-O 3.26Å; K498-L513 WeakPolarHBondContact CE-O 3.37Å; Y511-L513 HydrophobicContact CE2-CD2 4.09Å; L513-N526 PolarHBondContact N-O 2.87Å; L513-R528 HydrophobicContact CD1-CB 4.29Å; L513-R528 HydrophobicContact CD2-CB 3.74Å; L513-R528 HydrophobicContact CG-CB 4.11Å
514A96.7Very high92.5Very high48 Ų4831.2 Ų31.240%0.39718%0.18SC..SBendtrans-145.9173.4176.800000108.7A512 I516A512-A514 WeakPolarHBondContact CB-O 3.47Å; A514-I516 PolarHBondContact O-N 2.87Å
515D96.2Very high92.9Very high118 Ų11836.4 Ų36.463%0.63120%0.204SC*.  trans-65.2128168.7-60.3-36000108.7I496 A497 K498I496-D515 WeakPolarHBondContact O-CA 3.5Å; A497-D515 WeakPolarHBondContact CA-OD1 3.3Å; K498-D515 PolarHBondContact N-OD1 3.46Å
516I97.9Very high93.8Very high2 Ų233.6 Ų33.61%0.0119%0.193CC..BIsolated β-bridgetrans-109.4120.8179.1-57174.7000106.9A492 N495 I496 A512 A514 E520 V522 N526A492-I516 HydrophobicContact CB-CG2 3.78Å; N495-I516 CarbonylContact C-O 3.51Å; N495-I516 VanDerWaalsContact CA-O 3.3Å; N495-I516 WeakPolarHBondContact CA-O 3.34Å; I496-I516 HydrophobicContact CB-CB 4.21Å; I496-I516 PolarHBondContact N-O 3.15Å; I496-I516 PolarHBondContact O-N 3.25Å; A512-I516 HydrophobicContact CB-CD1 3.74Å; A512-I516 HydrophobicContact CB-CG1 4.19Å; A514-I516 PolarHBondContact O-N 2.87Å; I516-E520 HydrophobicContact CG2-CB 3.83Å; I516-E520 HydrophobicContact CG2-CG 4.18Å; I516-V522 HydrophobicContact CD1-CG1 4.48Å; I516-V522 HydrophobicContact CD1-CG2 4.39Å; I516-V522 HydrophobicContact CG2-CG2 3.92Å; I516-N526 HydrophobicContact CD1-CB 4.18Å; I516-N526 HydrophobicContact CG1-CB 4.3Å
517A97Very high94.9Very high22 Ų2233.2 Ų33.218%0.18219%0.188CC..  trans-78.6152.9178.900000111.6N495 G519 E520N495-A517 WeakPolarHBondContact OD1-CA 3.48Å; A517-G519 PolarHBondContact O-N 3.1Å; A517-E520 PolarHBondContact N-OE2 3.37Å; A517-E520 WeakPolarHBondContact O-CB 3.37Å; A517-E520 PolarHBondContact O-N 3.13Å
518A93.9Very high95.6Very high27 Ų2737.1 Ų37.122%0.22320%0.199CC..THydrogen-bonded Turntrans-52.8132.4169.700000110.5R482 N495 E520R482-A518 WeakPolarHBondContact CD-O 3.19Å; R482-A518 PolarHBondContact NE-O 3.4Å; N495-A518 PolarHBondContact OD1-N 3.32Å; A518-E520 VanDerWaalsContact C-N 3.32Å
519G96Very high95.8Very high0 Ų036.1 Ų36.10%019%0.192CC..THydrogen-bonded Turntrans83.7-1.8-176.100000115.4L481 R482 A492 A517L481-G519 WeakPolarHBondContact CA-O 3.4Å; R482-G519 PolarHBondContact N-O 2.98Å; A492-G519 PolarHBondContact O-N 3.36Å; A517-G519 PolarHBondContact O-N 3.1Å
520E98.2Very high95.4Very high41 Ų4139.5 Ų39.519%0.19221%0.21CC..  trans-77.9142.9175.7-169.6173.615600111.5F491 A492 I516 A517 A518 V522F491-E520 CarbonylContact C-O 2.92Å; F491-E520 VanDerWaalsContact CA-O 3.22Å; F491-E520 WeakPolarHBondContact CA-O 3.45Å; A492-E520 PolarHBondContact N-O 3.1Å; I516-E520 HydrophobicContact CG2-CB 3.83Å; I516-E520 HydrophobicContact CG2-CG 4.18Å; A517-E520 PolarHBondContact N-OE2 3.37Å; A517-E520 WeakPolarHBondContact O-CB 3.37Å; A517-E520 PolarHBondContact O-N 3.13Å; A518-E520 VanDerWaalsContact C-N 3.32Å; E520-V522 PolarHBondContact O-N 2.97Å
521H98.1Very high95Very high35 Ų3540.8 Ų40.816%0.16222%0.217CC..EExtended strand (participates in β ladder)trans-62.5126.8174.8173.5-150.4000111.2V485 H489 K490 H523 H525 N526V485-H521 HydrophobicContact CG2-CB 4.31Å; H489-H521 AromaticContact CE1-NE2 3.96Å; H489-H521 AromaticContact CG-NE2 3.58Å; H489-H521 AromaticContact ND1-CE1 3.51Å; H489-H521 AromaticContact ND1-NE2 2.88Å; H489-H521 PolarHBondContact ND1-NE2 2.85Å; K490-H521 PolarHBondContact O-CD2 2.96Å; H521-H523 WeakPolarHBondContact NE2-CB 3.46Å; H521-H525 AromaticContact ND1-CE1 3.83Å; H521-H525 PolarHBondContact O-CE1 2.8Å; H521-H525 VanDerWaalsContact O-CE1 3.28Å; H521-N526 PolarHBondContact O-ND2 3.37Å
522V98Very high94.1Very high0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-107.4113.5-179.9-177.10000110.3V459 K490 A492 V502 I516 E520 T527V459-V522 HydrophobicContact CG1-CB 4.15Å; V459-V522 HydrophobicContact CG1-CG1 4.13Å; V459-V522 HydrophobicContact CG1-CG2 3.88Å; K490-V522 HydrophobicContact CB-CB 4.02Å; K490-V522 PolarHBondContact O-N 2.83Å; A492-V522 HydrophobicContact CB-CG2 3.89Å; V502-V522 HydrophobicContact CG1-CG1 3.78Å; V502-V522 HydrophobicContact CG2-CG1 4.22Å; I516-V522 HydrophobicContact CD1-CG1 4.48Å; I516-V522 HydrophobicContact CD1-CG2 4.39Å; I516-V522 HydrophobicContact CG2-CG2 3.92Å; E520-V522 PolarHBondContact O-N 2.97Å; V522-T527 VanDerWaalsContact CG1-OG1 3.23Å; V522-T527 WeakPolarHBondContact CG1-OG1 3.15Å
523H97Very high92.7Very high23 Ų2347.4 Ų47.411%0.10626%0.262CS..SBendtrans-160.4-168.2-178.6-163.452.6000112.2H521 H525 N526 T527 K795 I799 T800H521-H523 WeakPolarHBondContact NE2-CB 3.46Å; H523-H525 PolarHBondContact O-N 3.5Å; H523-N526 PolarHBondContact N-OD1 2.99Å; H523-N526 PolarHBondContact O-N 3.17Å; H523-N526 PolarHBondContact O-OD1 2.77Å; H523-T527 WeakPolarHBondContact O-CB 3.28Å; H523-T527 PolarHBondContact O-N 3.13Å; H523-K795 PolarHBondContact CE1-O 3.23Å; H523-K795 PolarHBondContact NE2-O 2.85Å; H523-I799 PolarHBondContact CE1-O 3.43Å; H523-I799 VanDerWaalsContact CE1-O 3.26Å; H523-T800 PolarHBondContact ND1-OG1 2.88Å
524A93.2Very high91.5Very high42 Ų4248 Ų4835%0.34727%0.265SS..THydrogen-bonded Turntrans-62.1-10-172.900000115.2
525H95.6Very high90.2Very high113 Ų11349 Ų4952%0.52326%0.264SS..THydrogen-bonded Turntrans-81.8-25.5175.371.4-79.5000112.9H521 H523H521-H525 AromaticContact ND1-CE1 3.83Å; H521-H525 PolarHBondContact O-CE1 2.8Å; H521-H525 VanDerWaalsContact O-CE1 3.28Å; H523-H525 PolarHBondContact O-N 3.5Å
526N97.3Very high89Confident7 Ų752.8 Ų52.84%0.03728%0.278CS..THydrogen-bonded Turntrans-129.52-178.363.34.4000113.9A512 L513 I516 H521 H523A512-N526 CarbonylContact C-O 3.52Å; A512-N526 WeakPolarHBondContact CA-O 2.87Å; L513-N526 PolarHBondContact N-O 2.87Å; I516-N526 HydrophobicContact CD1-CB 4.18Å; I516-N526 HydrophobicContact CG1-CB 4.3Å; H521-N526 PolarHBondContact O-ND2 3.37Å; H523-N526 PolarHBondContact N-OD1 2.99Å; H523-N526 PolarHBondContact O-N 3.17Å; H523-N526 PolarHBondContact O-OD1 2.77Å
527T97Very high88.3Confident4 Ų454.5 Ų54.53%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-132.3139.1177.7-53.80000111.1V502 Y511 V522 H523 T800 T801V502-T527 HydrophobicContact CB-CG2 4.11Å; V502-T527 HydrophobicContact CG2-CG2 3.77Å; Y511-T527 WeakPolarHBondContact O-CA 3.38Å; V522-T527 VanDerWaalsContact CG1-OG1 3.23Å; V522-T527 WeakPolarHBondContact CG1-OG1 3.15Å; H523-T527 WeakPolarHBondContact O-CB 3.28Å; H523-T527 PolarHBondContact O-N 3.13Å; T527-T800 HydrophobicContact CG2-CG2 4.09Å; T527-T801 HydrophobicContact CG2-CG2 4.32Å
528R94Very high87.4Confident137 Ų13762.2 Ų62.252%0.51731%0.309SS..EExtended strand (participates in β ladder)trans-131.4151.6178.6-174.5164.165.6166.70.3112.1G510 Y511 L513G510-R528 CarbonylContact C-O 3.59Å; G510-R528 WeakPolarHBondContact CA-O 3.45Å; Y511-R528 WeakPolarHBondContact CD1-O 3.4Å; Y511-R528 HydrophobicContact CE1-CB 4.26Å; Y511-R528 HydrophobicContact CE1-CG 4.47Å; Y511-R528 PolarHBondContact N-O 3.31Å; Y511-R528 PolarHBondContact O-N 2.79Å; Y511-R528 PolarHBondContact OH-NE 2.92Å; Y511-R528 PolarHBondContact OH-NH2 3.39Å; L513-R528 HydrophobicContact CD1-CB 4.29Å; L513-R528 HydrophobicContact CD2-CB 3.74Å; L513-R528 HydrophobicContact CG-CB 4.11Å
529T92Very high86.8Confident22 Ų2263.2 Ų63.214%0.13531%0.307CS..  trans-57.3142.4175.7-175.70000112.5Y511 L531 Y787 E803Y511-T529 WeakPolarHBondContact CE1-O 3.46Å; T529-L531 WeakPolarHBondContact OG1-CB 3.48Å; T529-L531 PolarHBondContact OG1-N 3.44Å; T529-Y787 HydrophobicContact CG2-CD2 4.01Å; T529-Y787 HydrophobicContact CG2-CG 4.22Å; T529-E803 WeakPolarHBondContact CA-OE1 3.24Å; T529-E803 VanDerWaalsContact CB-OE2 3.27Å; T529-E803 WeakPolarHBondContact CB-OE2 3.46Å; T529-E803 PolarHBondContact OG1-OE1 3.2Å; T529-E803 PolarHBondContact OG1-OE2 2.84Å
530N85.4Confident86.1Confident71 Ų7168.6 Ų68.638%0.3833%0.332SS..  trans-84.9-16.2169.8-78.4-49.4000112.4N501 G510 Y511 S532 E803N501-N530 PolarHBondContact OD1-ND2 3.41Å; G510-N530 WeakPolarHBondContact CA-ND2 3.42Å; Y511-N530 WeakPolarHBondContact CD1-OD1 3.21Å; N530-S532 PolarHBondContact O-N 2.91Å; N530-E803 PolarHBondContact N-OE1 2.65Å
531L85.7Confident85.3Confident27 Ų2769.5 Ų69.514%0.14134%0.342CS..  trans-63.5133.9179-63.8172.2000111T529 F749 L802 E803T529-L531 WeakPolarHBondContact OG1-CB 3.48Å; T529-L531 PolarHBondContact OG1-N 3.44Å; L531-F749 HydrophobicContact CD1-CB 4.07Å; L531-L802 HydrophobicContact CD1-CB 4.14Å; L531-L802 HydrophobicContact CD1-CD2 3.91Å; L531-L802 HydrophobicContact CD1-CG 4.1Å; L531-E803 HydrophobicContact CD1-CG 4.1Å; L531-E803 HydrophobicContact CG-CG 4.04Å; L531-E803 PolarHBondContact N-OE1 2.87Å
532S73.1Confident84.4Confident78 Ų7872.4 Ų72.455%0.54536%0.359SS..  trans-142-49.5-176.446.30000113.8N530N530-S532 PolarHBondContact O-N 2.91Å
533D67.9Low83.6Confident116 Ų11677.4 Ų77.462%0.6238%0.38SS*.SBendtrans-131.9-176.9-171.6-72.1-44.8000113
534L70.7Confident82.4Confident76 Ų7681.4 Ų81.440%0.39840%0.399SS..PPolyproline II helixtrans-73.2129.4165.4-61.1163000109.1K776 I780L534-K776 HydrophobicContact CD2-CB 3.56Å; L534-K776 HydrophobicContact CD2-CD 3.86Å; L534-K776 HydrophobicContact CD2-CG 4.31Å; L534-I780 HydrophobicContact CD2-CD1 4.39Å
535D69.1Low81.4Confident69 Ų6987.5 Ų87.537%0.36943%0.426SS..PPolyproline II helixtrans-92.6153.5179.3-51.5-69.3000111.1Y537 K776D535-Y537 HydrophobicContact CB-CE1 3.91Å; D535-Y537 HydrophobicContact CB-CE2 4.1Å; D535-Y537 WeakPolarHBondContact O-CE2 3.5Å; D535-Y537 PolarHBondContact OD2-OH 2.69Å; D535-K776 IonicContact OD2-NZ 2.7Å; D535-K776 PolarHBondContact OD2-NZ 2.92Å
536Q72.5Confident80.4Confident196 Ų19684.9 Ų84.992%0.91642%0.415SS*.PPolyproline II helixtrans-99.2125.2166.3-67.6-176.711.100108.4
537Y82.5Confident79Confident39 Ų3988.2 Ų88.215%0.15344%0.437CS..  trans-104.4154.2-179-50.5-85.3000110.3D535 E752 M756 V769 K776D535-Y537 HydrophobicContact CB-CE1 3.91Å; D535-Y537 HydrophobicContact CB-CE2 4.1Å; D535-Y537 WeakPolarHBondContact O-CE2 3.5Å; D535-Y537 PolarHBondContact OD2-OH 2.69Å; Y537-E752 HydrophobicContact CE1-CG 3.57Å; Y537-E752 PolarHBondContact OH-OE1 3.27Å; Y537-M756 HydrophobicContact CD1-CE 3.74Å; Y537-M756 HydrophobicContact CD1-SD 3.35Å; Y537-M756 WeakPolarHBondContact CD1-SD 3.44Å; Y537-M756 HydrophobicContact CD2-CE 3.76Å; Y537-M756 HydrophobicContact CD2-SD 4.18Å; Y537-M756 HydrophobicContact CE1-CE 3.86Å; Y537-M756 HydrophobicContact CE1-SD 3.97Å; Y537-M756 HydrophobicContact CE2-CE 3.9Å; Y537-M756 HydrophobicContact CG-CE 3.67Å; Y537-M756 HydrophobicContact CG-SD 3.46Å; Y537-V769 HydrophobicContact CD2-CG1 4.03Å; Y537-V769 HydrophobicContact CD2-CG2 3.98Å; Y537-V769 HydrophobicContact CG-CG2 4.27Å; Y537-K776 PolarHBondContact OH-NZ 2.63Å
538R78.1Confident78.2Confident184 Ų18493.1 Ų93.169%0.69448%0.479SS*.  trans-127.3134.3172.3178.2178.8174.9-172.7-1.4108.7Q540 F765R538-Q540 HydrophobicContact CG-CG 4.29Å; R538-Q540 PolarHBondContact O-N 3.02Å; R538-F765 VanDerWaalsContact C-CZ 3.43Å
539Y82.4Confident77.9Confident48 Ų4889.1 Ų89.119%0.18847%0.465CS..  trans-64.8116175.1-174.9-126.9000110.9P541 C759 R760 D761 E762 F765Y539-P541 HydrophobicContact CE1-CB 4.47Å; Y539-P541 HydrophobicContact CE1-CG 3.92Å; Y539-P541 HydrophobicContact CE2-CB 3.99Å; Y539-P541 HydrophobicContact CE2-CG 4.26Å; Y539-C759 HydrophobicContact CE2-CB 4.04Å; Y539-C759 WeakPolarHBondContact CE2-O 3.3Å; Y539-C759 PolarHBondContact OH-O 2.67Å; Y539-R760 PolarHBondContact OH-O 3.32Å; Y539-D761 WeakPolarHBondContact OH-CA 3.34Å; Y539-D761 PolarHBondContact OH-N 2.84Å; Y539-E762 HydrophobicContact CD1-CB 3.92Å; Y539-E762 HydrophobicContact CD1-CG 4.3Å; Y539-E762 HydrophobicContact CE1-CB 4.25Å; Y539-E762 HydrophobicContact CG-CB 4.45Å; Y539-F765 HydrophobicContact CD2-CB 3.51Å; Y539-F765 HydrophobicContact CD2-CD1 4.35Å; Y539-F765 AromaticContact CD2-CD2 3.74Å; Y539-F765 HydrophobicContact CD2-CD2 3.74Å; Y539-F765 AromaticContact CD2-CG 3.6Å; Y539-F765 HydrophobicContact CD2-CG 3.6Å; Y539-F765 HydrophobicContact CE2-CB 4.03Å; Y539-F765 HydrophobicContact CG-CB 4.14Å; Y539-F765 HydrophobicContact CG-CD1 4.32Å; Y539-F765 HydrophobicContact CG-CD2 4.38Å; Y539-F765 HydrophobicContact CG-CG 4.02Å; Y539-F765 VanDerWaalsContact N-CZ 3.29Å
540Q81.1Confident77.8Confident112 Ų11290.7 Ų90.752%0.52348%0.481SS..  trans-140.982.4177-66.9-175.644.500107.9R538 D542R538-Q540 HydrophobicContact CG-CG 4.29Å; R538-Q540 PolarHBondContact O-N 3.02Å; Q540-D542 PolarHBondContact O-N 3.26Å
541P81.2Confident78.3Confident61 Ų6191 Ų9140%0.39649%0.493SS..  trans-65.8137.9-173.525.9-33.2000112Y539 F543 D757Y539-P541 HydrophobicContact CE1-CB 4.47Å; Y539-P541 HydrophobicContact CE1-CG 3.92Å; Y539-P541 HydrophobicContact CE2-CB 3.99Å; Y539-P541 HydrophobicContact CE2-CG 4.26Å; P541-F543 HydrophobicContact CB-CE1 4.04Å; P541-F543 HydrophobicContact CB-CE2 3.91Å; P541-F543 HydrophobicContact CB-CZ 3.64Å; P541-D757 CarbonylContact C-O 3.54Å; P541-D757 VanDerWaalsContact CA-O 3.28Å; P541-D757 WeakPolarHBondContact CA-O 3.09Å
542D79.3Confident78.9Confident96 Ų9691.3 Ų91.351%0.51350%0.495SS..  trans-130.193.3172.2-174.823.4000109Q540 D757Q540-D542 PolarHBondContact O-N 3.26Å; D542-D757 HydrophobicContact CB-CB 4.19Å; D542-D757 PolarHBondContact N-O 3.39Å
543F81.6Confident80.1Confident104 Ų10491 Ų9146%0.45648%0.482SS..  trans-92.2131.9-177.4-57.1-47.7000110.8P541 C759 V817P541-F543 HydrophobicContact CB-CE1 4.04Å; P541-F543 HydrophobicContact CB-CE2 3.91Å; P541-F543 HydrophobicContact CB-CZ 3.64Å; F543-C759 WeakPolarHBondContact CE1-O 3.47Å; F543-C759 WeakPolarHBondContact CZ-O 3.43Å; F543-V817 HydrophobicContact CD1-CG2 3.81Å; F543-V817 HydrophobicContact CE1-CG1 4.24Å; F543-V817 HydrophobicContact CE1-CG2 4.14Å; F543-V817 HydrophobicContact CG-CG2 4.49Å
544Q70Confident81.5Confident108 Ų10892.1 Ų92.151%0.50548%0.483SS..  trans-99.7136.4176-59.3-172.714.900111.1L546Q544-L546 PolarHBondContact O-N 3.45Å
545D72.7Confident82.9Confident169 Ų16988.6 Ų88.690%0.90447%0.465SS*.  trans-69.2115.8167.7-75.3-40.4000109.4
546L74.6Confident84.3Confident59 Ų5988.8 Ų88.831%0.30946%0.463SS..PPolyproline II helixtrans-68.9135.3175.5-67176000110Q544 D731Q544-L546 PolarHBondContact O-N 3.45Å; L546-D731 HydrophobicContact CD1-CB 4.33Å; L546-D731 HydrophobicContact CD2-CB 4Å
547P68.3Low85.5Confident76 Ų7679.4 Ų79.449%0.49442%0.42SS..PPolyproline II helixtrans-62.5156.2172.327.2-32.9000110.3Q549P547-Q549 PolarHBondContact O-N 3.46Å; P547-Q549 PolarHBondContact O-NE2 3.07Å
548A79.4Confident86.2Confident108 Ų10878.5 Ų78.589%0.89342%0.416SS*.PPolyproline II helixtrans-53.4124.6177.400000110.8
549Q88.8Confident87.2Confident52 Ų5274.6 Ų74.624%0.24340%0.402CS..PPolyproline II helixtrans-93.4156.8-178.5-62.9-57.5-46.500111.2P547 Y732 A735P547-Q549 PolarHBondContact O-N 3.46Å; P547-Q549 PolarHBondContact O-NE2 3.07Å; Q549-Y732 HydrophobicContact CB-CD2 4.29Å; Q549-A735 HydrophobicContact CB-CB 3.92Å; Q549-A735 HydrophobicContact CG-CB 3.45Å; Q549-A735 VanDerWaalsContact CG-CB 3.45Å
550A89.7Confident87.8Confident55 Ų5573.7 Ų73.746%0.45540%0.398SS..PPolyproline II helixtrans-61.4160.2170.200000111Y732 N736A550-Y732 HydrophobicContact CB-CD2 4.35Å; A550-Y732 HydrophobicContact CB-CE2 3.95Å; A550-Y732 VanDerWaalsContact O-CE2 3.28Å; A550-Y732 WeakPolarHBondContact O-CE2 3.4Å; A550-N736 PolarHBondContact O-ND2 3.12Å; A550-N736 VanDerWaalsContact O-ND2 3.11Å
551A94.9Very high88.2Confident77 Ų7773.4 Ų73.464%0.63642%0.415SS*.PPolyproline II helixtrans-65.8150.1176.400000111.8Y732A551-Y732 PolarHBondContact O-OH 3.46Å
552D98.2Very high88.6Confident34 Ų3476 Ų7618%0.18243%0.425CS..PPolyproline II helixtrans-55.7135.8175.1-158-7.8000112.4K701 L702 S703 Y732 N736D552-K701 VanDerWaalsContact OD2-CB 3.32Å; D552-K701 WeakPolarHBondContact OD2-CB 3.26Å; D552-L702 WeakPolarHBondContact OD1-CB 3.3Å; D552-L702 PolarHBondContact OD1-N 2.7Å; D552-S703 PolarHBondContact OD1-N 2.71Å; D552-S703 WeakPolarHBondContact OD2-CB 3.16Å; D552-S703 PolarHBondContact OD2-OG 3.15Å; D552-Y732 WeakPolarHBondContact CA-OH 3.45Å; D552-N736 HydrophobicContact CB-CB 3.98Å; D552-N736 WeakPolarHBondContact CB-OD1 3.42Å; D552-N736 PolarHBondContact N-OD1 2.66Å
553R98.4Very high89.2Confident73 Ų7374.2 Ų74.228%0.27543%0.429SS..PPolyproline II helixtrans-83.5149.8-180-66.8-54.1-160.2-160.81.3111.6K701 L702 Y732 E908 I911 D912 V915R553-K701 WeakPolarHBondContact O-CA 3.15Å; R553-L702 HydrophobicContact CB-CB 4.22Å; R553-L702 HydrophobicContact CB-CD2 4.36Å; R553-L702 PolarHBondContact O-N 2.93Å; R553-Y732 WeakPolarHBondContact CG-OH 3.44Å; R553-Y732 PolarHBondContact N-OH 3.38Å; R553-E908 IonicContact NH2-OE1 3.81Å; R553-E908 PolarHBondContact NH2-OE1 3.46Å; R553-E908 VanDerWaalsContact NH2-OE1 3.12Å; R553-I911 HydrophobicContact CG-CG2 3.45Å; R553-I911 VanDerWaalsContact CG-CG2 3.45Å; R553-D912 IonicContact CZ-OD1 3.84Å; R553-D912 IonicContact NE-OD1 3.59Å; R553-D912 PolarHBondContact NE-OD1 2.8Å; R553-D912 IonicContact NH2-OD1 3.58Å; R553-D912 PolarHBondContact NH2-OD1 3.3Å; R553-D912 VanDerWaalsContact NH2-OD1 3.17Å; R553-V915 HydrophobicContact CB-CG2 3.55Å; R553-V915 HydrophobicContact CG-CG2 3.85Å
554E98.7Very high89.8Confident139 Ų13971.4 Ų71.465%0.6542%0.419SS*.EExtended strand (participates in β ladder)trans-84.8137.8173.8-59.8-166.5146.500111.2K701E554-K701 HydrophobicContact CG-CD 4.36Å; E554-K701 VanDerWaalsContact CG-NZ 3.35Å; E554-K701 IonicContact OE1-NZ 2.65Å; E554-K701 PolarHBondContact OE1-NZ 2.68Å
555V98.7Very high91.2Very high1 Ų166.8 Ų66.81%0.00640%0.398CS..EExtended strand (participates in β ladder)trans-136.1168.4178.3-66.10000110.6I557 G700 K701 L702 V915 A918 N919V555-I557 HydrophobicContact CB-CG2 4.48Å; V555-I557 HydrophobicContact CG2-CG2 3.8Å; V555-G700 PolarHBondContact N-O 3.48Å; V555-G700 PolarHBondContact O-N 2.84Å; V555-K701 VanDerWaalsContact CG2-C 3.49Å; V555-L702 HydrophobicContact CG1-CB 4.32Å; V555-L702 HydrophobicContact CG1-CD1 3.85Å; V555-V915 HydrophobicContact CG1-CB 4.49Å; V555-V915 HydrophobicContact CG1-CG1 4.24Å; V555-V915 HydrophobicContact CG1-CG2 4.2Å; V555-A918 HydrophobicContact CB-CB 4.15Å; V555-A918 HydrophobicContact CG1-CB 3.75Å; V555-N919 VanDerWaalsContact CA-OD1 3.24Å; V555-N919 WeakPolarHBondContact CA-OD1 3.38Å
556Q98.5Very high92.4Very high73 Ų7358.7 Ų58.734%0.34136%0.355SS..EExtended strand (participates in β ladder)trans-117.7110.6179.8-63.1-61-59.200109R697 E698 N919Q556-R697 HydrophobicContact CB-CB 3.96Å; Q556-R697 PolarHBondContact O-NH1 3.35Å; Q556-E698 CarbonylContact C-O 3.5Å; Q556-E698 WeakPolarHBondContact CA-O 3.47Å; Q556-N919 PolarHBondContact N-OD1 2.97Å
557I98.5Very high93.5Very high0 Ų055.9 Ų55.90%034%0.34CS..EExtended strand (participates in β ladder)trans-125.8157.7-167.659.3-176.6000111.6V555 V565 R697 E698 L705V555-I557 HydrophobicContact CB-CG2 4.48Å; V555-I557 HydrophobicContact CG2-CG2 3.8Å; I557-V565 HydrophobicContact CD1-CB 3.85Å; I557-V565 HydrophobicContact CD1-CG1 3.69Å; I557-V565 HydrophobicContact CD1-CG2 4.35Å; I557-R697 CarbonylContact O-C 3.48Å; I557-R697 WeakPolarHBondContact O-CA 3.45Å; I557-E698 PolarHBondContact N-O 2.9Å; I557-E698 PolarHBondContact O-N 2.82Å; I557-L705 HydrophobicContact CG2-CD2 4.13Å
558Y98.4Very high94.9Very high20 Ų2052.4 Ų52.48%0.07832%0.317CS..EExtended strand (participates in β ladder)trans-89.8121.9169.9-62.4-80.4000109.5V565 G566 N569 D602 D695 R697Y558-V565 CarbonylContact O-C 3.48Å; Y558-V565 VanDerWaalsContact O-CA 3.29Å; Y558-V565 WeakPolarHBondContact O-CA 3.26Å; Y558-G566 PolarHBondContact N-O 3.36Å; Y558-G566 PolarHBondContact O-N 2.88Å; Y558-N569 HydrophobicContact CD1-CB 4.16Å; Y558-N569 HydrophobicContact CD2-CB 3.96Å; Y558-N569 HydrophobicContact CE1-CB 3.83Å; Y558-N569 HydrophobicContact CE2-CB 3.6Å; Y558-N569 HydrophobicContact CG-CB 4.21Å; Y558-D602 WeakPolarHBondContact CE2-OD2 3.16Å; Y558-D602 PolarHBondContact OH-OD2 2.89Å; Y558-D695 HydrophobicContact CD1-CB 3.97Å; Y558-D695 HydrophobicContact CE1-CB 4.25Å; Y558-R697 HydrophobicContact CD1-CG 4.29Å; Y558-R697 HydrophobicContact CD2-CG 4.31Å; Y558-R697 HydrophobicContact CE1-CG 3.85Å; Y558-R697 HydrophobicContact CE2-CG 3.88Å
559R97.5Very high95.8Very high102 Ų10247.2 Ų47.239%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-89.4127.8173.2-62.2-163.8179.9-83.9-4.6110V565 E698 P699 E704R559-V565 HydrophobicContact CG-CG1 4.36Å; R559-E698 WeakPolarHBondContact CD-OE2 3.49Å; R559-E698 IonicContact NE-OE2 3.06Å; R559-P699 PolarHBondContact NH2-O 2.95Å; R559-E704 IonicContact CZ-OE2 3.74Å; R559-E704 IonicContact NH1-OE2 3.02Å; R559-E704 PolarHBondContact NH1-OE2 3.45Å; R559-E704 IonicContact NH2-OE1 3.85Å; R559-E704 PolarHBondContact NH2-OE1 3.37Å; R559-E704 VanDerWaalsContact NH2-OE1 3.08Å; R559-E704 IonicContact NH2-OE2 3.64Å; R559-E704 PolarHBondContact NH2-OE2 2.89Å; R559-E704 VanDerWaalsContact NH2-OE2 3.11Å
560R94.8Very high96.3Very high29 Ų2944.8 Ų44.811%0.10926%0.263CS..PPolyproline II helixtrans-92.8155.3178.2-55-55.7-177.1-172.20.2109.9N562 G563 D564 R568 N569 P634 D695R560-N562 VanDerWaalsContact CB-OD1 3.25Å; R560-N562 WeakPolarHBondContact CB-OD1 3.36Å; R560-N562 PolarHBondContact O-N 3.47Å; R560-N562 VanDerWaalsContact O-N 3.12Å; R560-G563 PolarHBondContact O-N 2.95Å; R560-D564 HydrophobicContact CB-CB 4.5Å; R560-D564 WeakPolarHBondContact CB-O 3.41Å; R560-D564 PolarHBondContact N-O 3.47Å; R560-R568 PolarHBondContact NH2-O 2.99Å; R560-R568 VanDerWaalsContact NH2-O 3.08Å; R560-N569 PolarHBondContact NH1-OD1 3.23Å; R560-N569 PolarHBondContact NH2-OD1 3.1Å; R560-N569 VanDerWaalsContact NH2-OD1 3.16Å; R560-P634 HydrophobicContact CG-CB 4.34Å; R560-P634 PolarHBondContact NE-O 2.88Å; R560-P634 PolarHBondContact NH2-O 3.03Å; R560-D695 IonicContact NH1-OD2 3.6Å; R560-D695 PolarHBondContact NH1-OD2 3.32Å
561A90.5Very high96.7Very high106 Ų10642.2 Ų42.288%0.87624%0.242SC*.THydrogen-bonded Turntrans-60.7-24.7-177.300000113.6G563A561-G563 VanDerWaalsContact C-N 3.29Å
562N89.4Confident96.9Very high114 Ų11438.6 Ų38.661%0.6121%0.212SC*.THydrogen-bonded Turntrans-83.10.4175.971.7-17.1000113.9R560 D564R560-N562 VanDerWaalsContact CB-OD1 3.25Å; R560-N562 WeakPolarHBondContact CB-OD1 3.36Å; R560-N562 PolarHBondContact O-N 3.47Å; R560-N562 VanDerWaalsContact O-N 3.12Å; N562-D564 PolarHBondContact ND2-OD2 3.27Å; N562-D564 WeakPolarHBondContact OD1-CB 3.07Å; N562-D564 PolarHBondContact OD1-N 3.37Å
563G91.5Very high96.9Very high59 Ų5937 Ų3761%0.60820%0.203SC*.SBendtrans89.9-9.9-178.300000115.1R560 A561R560-G563 PolarHBondContact O-N 2.95Å; A561-G563 VanDerWaalsContact C-N 3.29Å
564D94.8Very high96.9Very high46 Ų4633.5 Ų33.525%0.24619%0.19CC..  trans-67.2156.3172.6-70.7-34.8000110.6R560 N562 P634R560-D564 HydrophobicContact CB-CB 4.5Å; R560-D564 WeakPolarHBondContact CB-O 3.41Å; R560-D564 PolarHBondContact N-O 3.47Å; N562-D564 PolarHBondContact ND2-OD2 3.27Å; N562-D564 WeakPolarHBondContact OD1-CB 3.07Å; N562-D564 PolarHBondContact OD1-N 3.37Å; D564-P634 HydrophobicContact CB-CB 3.95Å
565V98.2Very high96.9Very high10 Ų1026.9 Ų26.96%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-118.5145.8178.8-59.90000110.7I557 Y558 R559 P634 E704 L705 H855I557-V565 HydrophobicContact CD1-CB 3.85Å; I557-V565 HydrophobicContact CD1-CG1 3.69Å; I557-V565 HydrophobicContact CD1-CG2 4.35Å; Y558-V565 CarbonylContact O-C 3.48Å; Y558-V565 VanDerWaalsContact O-CA 3.29Å; Y558-V565 WeakPolarHBondContact O-CA 3.26Å; R559-V565 HydrophobicContact CG-CG1 4.36Å; V565-P634 WeakPolarHBondContact O-CB 3.25Å; V565-P634 WeakPolarHBondContact O-CG 3.41Å; V565-E704 HydrophobicContact CG2-CB 4.24Å; V565-L705 HydrophobicContact CG2-CD2 4.12Å; V565-H855 PolarHBondContact O-CD2 3.19Å; V565-H855 PolarHBondContact O-NE2 2.99Å
566G98.1Very high96.8Very high0 Ų026.9 Ų26.90%016%0.159CC..EExtended strand (participates in β ladder)trans-126147.2177.800000111.7Y558Y558-G566 PolarHBondContact N-O 3.36Å; Y558-G566 PolarHBondContact O-N 2.88Å
567V98.5Very high96.7Very high0 Ų023.6 Ų23.60%014%0.144CC..SBendtrans-96.5-4.2171-62.10000112.8N635 R697 L705 H855 M856 P872 A918V567-N635 WeakPolarHBondContact CG2-OD1 3.42Å; V567-N635 PolarHBondContact N-OD1 2.97Å; V567-R697 PolarHBondContact O-NH1 2.82Å; V567-R697 PolarHBondContact O-NH2 3.24Å; V567-L705 HydrophobicContact CG1-CD1 3.58Å; V567-L705 HydrophobicContact CG1-CD2 3.66Å; V567-L705 HydrophobicContact CG1-CG 4.3Å; V567-H855 HydrophobicContact CG1-CB 4.48Å; V567-H855 HydrophobicContact CG2-CB 4.27Å; V567-M856 HydrophobicContact CB-CE 4.16Å; V567-M856 HydrophobicContact CG1-CE 4.08Å; V567-M856 HydrophobicContact CG2-CE 3.86Å; V567-M856 HydrophobicContact CG2-CG 4.42Å; V567-P872 HydrophobicContact CG2-CG 4.42Å; V567-A918 HydrophobicContact CG1-CB 4.31Å
568R98.5Very high96.5Very high2 Ų224.5 Ų24.51%0.00815%0.153CC..  trans-136.2159.2173-56.7-69.1179.9-95.55.5110R560 E570 D602 N635 P872 F917 K921 E926R560-R568 PolarHBondContact NH2-O 2.99Å; R560-R568 VanDerWaalsContact NH2-O 3.08Å; R568-E570 HydrophobicContact CB-CG 3.9Å; R568-D602 WeakPolarHBondContact CA-OD2 3.35Å; R568-D602 HydrophobicContact CB-CB 4.16Å; R568-N635 CarbonylContact C-O 3.58Å; R568-N635 HydrophobicContact CB-CB 4.01Å; R568-N635 PolarHBondContact N-OD1 3Å; R568-N635 CarbonylContact O-C 3.45Å; R568-N635 WeakPolarHBondContact O-CA 3.34Å; R568-N635 VanDerWaalsContact O-O 3.11Å; R568-P872 HydrophobicContact CG-CG 4.15Å; R568-F917 PolarHBondContact NH1-O 2.99Å; R568-F917 PolarHBondContact NH2-O 2.91Å; R568-K921 PolarHBondContact NH2-O 3.27Å; R568-E926 IonicContact CZ-OE1 2.75Å; R568-E926 IonicContact CZ-OE2 2.87Å; R568-E926 IonicContact NE-OE1 2.72Å; R568-E926 PolarHBondContact NE-OE1 3.25Å; R568-E926 IonicContact NE-OE2 3.7Å; R568-E926 IonicContact NH2-OE1 3.26Å; R568-E926 PolarHBondContact NH2-OE1 3.39Å; R568-E926 IonicContact NH2-OE2 3.65Å; R568-E926 PolarHBondContact NH2-OE2 2.88Å
569N98.3Very high96.4Very high0 Ų028 Ų280%018%0.18CC..  trans-126.873.2173.1-16945.2000109.2Y558 R560 T601 D602 G637 M692 D695Y558-N569 HydrophobicContact CD1-CB 4.16Å; Y558-N569 HydrophobicContact CD2-CB 3.96Å; Y558-N569 HydrophobicContact CE1-CB 3.83Å; Y558-N569 HydrophobicContact CE2-CB 3.6Å; Y558-N569 HydrophobicContact CG-CB 4.21Å; R560-N569 PolarHBondContact NH1-OD1 3.23Å; R560-N569 PolarHBondContact NH2-OD1 3.1Å; R560-N569 VanDerWaalsContact NH2-OD1 3.16Å; N569-T601 WeakPolarHBondContact O-CB 3.32Å; N569-D602 PolarHBondContact N-OD2 3.23Å; N569-D602 PolarHBondContact O-N 3.31Å; N569-G637 WeakPolarHBondContact OD1-CA 3.47Å; N569-M692 PolarHBondContact ND2-O 3.26Å; N569-M692 VanDerWaalsContact O-CE 3.23Å; N569-M692 WeakPolarHBondContact O-CE 3.5Å; N569-D695 PolarHBondContact OD1-OD2 3.42Å; N569-D695 VanDerWaalsContact OD1-OD2 3.11Å
570E98.4Very high96.3Very high1 Ų123.1 Ų23.11%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-100.3151.1-175.4-62.7177.1174.400111.4R568 W572 D602 G603 F605 N635 A636 G637 A638 M692 R931R568-E570 HydrophobicContact CB-CG 3.9Å; E570-W572 VanDerWaalsContact CB-NE1 3.31Å; E570-W572 PolarHBondContact OE2-NE1 3.42Å; E570-D602 HydrophobicContact CG-CB 3.83Å; E570-G603 CarbonylContact C-O 3.56Å; E570-G603 WeakPolarHBondContact CA-O 3.49Å; E570-F605 HydrophobicContact CB-CD2 4.1Å; E570-F605 HydrophobicContact CB-CE2 4.28Å; E570-F605 VanDerWaalsContact CD-CE2 3.42Å; E570-F605 HydrophobicContact CG-CD2 4.01Å; E570-F605 HydrophobicContact CG-CE2 3.74Å; E570-F605 WeakPolarHBondContact OE2-CD2 3.47Å; E570-N635 PolarHBondContact N-O 3.19Å; E570-A636 CarbonylContact O-C 3.53Å; E570-A636 WeakPolarHBondContact O-CA 3.26Å; E570-G637 PolarHBondContact O-N 2.85Å; E570-A638 PolarHBondContact O-N 3.01Å; E570-M692 VanDerWaalsContact C-CE 3.45Å; E570-R931 IonicContact OE1-CZ 2.88Å; E570-R931 IonicContact OE1-NH1 2.85Å; E570-R931 PolarHBondContact OE1-NH1 3.49Å; E570-R931 IonicContact OE1-NH2 3.8Å; E570-R931 IonicContact OE2-NH1 3.37Å
571L98.7Very high96.4Very high1 Ų123.1 Ų23.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-98.1116.7169.6-161.2168.2000108.9I573 F591 G603 V604 F605 A638 L685 L688 M692L571-I573 HydrophobicContact CD2-CG1 4.27Å; L571-F591 HydrophobicContact CD1-CE1 4.36Å; L571-G603 PolarHBondContact N-O 3.09Å; L571-V604 HydrophobicContact CB-CB 4.42Å; L571-V604 HydrophobicContact CB-CG1 4.17Å; L571-V604 HydrophobicContact CB-CG2 4.11Å; L571-V604 HydrophobicContact CD2-CG1 4.19Å; L571-V604 CarbonylContact O-C 3.45Å; L571-V604 VanDerWaalsContact O-CA 3.28Å; L571-V604 WeakPolarHBondContact O-CA 3.38Å; L571-F605 PolarHBondContact O-N 3.45Å; L571-A638 WeakPolarHBondContact CA-O 3.26Å; L571-A638 HydrophobicContact CG-CB 4.27Å; L571-L685 HydrophobicContact CD1-CD2 4.06Å; L571-L685 HydrophobicContact CD2-CD2 3.42Å; L571-L685 VanDerWaalsContact CD2-CD2 3.42Å; L571-L685 HydrophobicContact CG-CD2 4.41Å; L571-L688 HydrophobicContact CD1-CB 4.2Å; L571-M692 HydrophobicContact CB-CE 4.21Å; L571-M692 HydrophobicContact CB-SD 3.66Å; L571-M692 HydrophobicContact CD1-SD 4Å; L571-M692 HydrophobicContact CG-SD 3.92Å
572W98.7Very high96.7Very high0 Ų020.2 Ų20.20%014%0.143CC..EExtended strand (participates in β ladder)trans-101.8132.4-177.5-65.9-0.5000112.2E570 L574 F605 F607 M630 H633 N635 A636 A638 V639 L640 F870E570-W572 VanDerWaalsContact CB-NE1 3.31Å; E570-W572 PolarHBondContact OE2-NE1 3.42Å; W572-L574 HydrophobicContact CB-CD2 4.38Å; W572-L574 HydrophobicContact CB-CG 4.44Å; W572-F605 WeakPolarHBondContact CA-O 3.32Å; W572-F607 HydrophobicContact CB-CD2 4.21Å; W572-F607 HydrophobicContact CB-CE2 3.95Å; W572-F607 AromaticContact CD1-CE2 3.51Å; W572-F607 HydrophobicContact CD2-CD2 4.28Å; W572-F607 AromaticContact CD2-CE2 3.57Å; W572-F607 HydrophobicContact CD2-CE2 3.57Å; W572-F607 HydrophobicContact CD2-CZ 4.33Å; W572-F607 AromaticContact CE2-CE2 3.77Å; W572-F607 HydrophobicContact CE3-CE2 4.25Å; W572-F607 HydrophobicContact CG-CD2 4.13Å; W572-F607 AromaticContact CG-CE2 3.43Å; W572-F607 HydrophobicContact CG-CE2 3.43Å; W572-F607 VanDerWaalsContact CG-CE2 3.43Å; W572-F607 HydrophobicContact CG-CZ 4.4Å; W572-F607 AromaticContact NE1-CE2 3.66Å; W572-F607 AromaticContact NE1-CZ 3.91Å; W572-M630 HydrophobicContact CE3-CB 4.14Å; W572-M630 HydrophobicContact CE3-CE 4.27Å; W572-M630 HydrophobicContact CZ3-CB 3.96Å; W572-M630 HydrophobicContact CZ3-CE 4.32Å; W572-M630 HydrophobicContact CZ3-CG 4.38Å; W572-M630 WeakPolarHBondContact CZ3-O 3.03Å; W572-H633 HydrophobicContact CH2-CB 3.76Å; W572-H633 AromaticContact CH2-CG 3.71Å; W572-H633 AromaticContact CH2-ND1 3.6Å; W572-H633 HydrophobicContact CZ3-CB 3.6Å; W572-N635 HydrophobicContact CZ2-CB 4.21Å; W572-A636 HydrophobicContact CD2-CB 3.59Å; W572-A636 HydrophobicContact CE3-CB 3.68Å; W572-A636 HydrophobicContact CG-CB 3.95Å; W572-A636 HydrophobicContact CH2-CB 4.5Å; W572-A636 HydrophobicContact CZ2-CB 4.46Å; W572-A636 HydrophobicContact CZ3-CB 4.15Å; W572-A638 PolarHBondContact N-O 3.47Å; W572-V639 HydrophobicContact CB-CG1 4.5Å; W572-V639 HydrophobicContact CB-CG2 4.36Å; W572-V639 CarbonylContact O-C 3.57Å; W572-V639 VanDerWaalsContact O-CA 3.29Å; W572-V639 WeakPolarHBondContact O-CA 3.16Å; W572-L640 PolarHBondContact O-N 3.44Å; W572-F870 AromaticContact CH2-CD2 3.42Å; W572-F870 HydrophobicContact CH2-CD2 3.42Å; W572-F870 VanDerWaalsContact CH2-CD2 3.42Å; W572-F870 AromaticContact CH2-CE2 3.81Å; W572-F870 HydrophobicContact CH2-CE2 3.81Å; W572-F870 HydrophobicContact CZ2-CD2 4.1Å; W572-F870 AromaticContact CZ3-CD2 3.84Å; W572-F870 HydrophobicContact CZ3-CD2 3.84Å; W572-F870 HydrophobicContact CZ3-CE2 4.01Å
573I98.8Very high97.1Very high0 Ų016.5 Ų16.50%012%0.123CC..EExtended strand (participates in β ladder)trans-106.2116.9172.5-55169.9000107.6L571 P575 A584 Q588 V604 F605 L606 F607 L640 I642 L685L571-I573 HydrophobicContact CD2-CG1 4.27Å; I573-P575 WeakPolarHBondContact O-CD 3.47Å; I573-A584 HydrophobicContact CG2-CB 3.93Å; I573-Q588 HydrophobicContact CD1-CB 3.68Å; I573-Q588 HydrophobicContact CD1-CG 3.98Å; I573-V604 HydrophobicContact CD1-CG1 4.05Å; I573-V604 HydrophobicContact CG1-CG1 4.42Å; I573-F605 PolarHBondContact N-O 3.34Å; I573-L606 HydrophobicContact CB-CD1 4.21Å; I573-L606 HydrophobicContact CG2-CD1 4.06Å; I573-F607 PolarHBondContact O-N 3.03Å; I573-F607 VanDerWaalsContact O-N 3.13Å; I573-L640 WeakPolarHBondContact CA-O 3.28Å; I573-I642 HydrophobicContact CG2-CD1 3.56Å; I573-I642 HydrophobicContact CG2-CG1 4.21Å; I573-L685 HydrophobicContact CD1-CD1 3.9Å; I573-L685 HydrophobicContact CD1-CD2 4.31Å; I573-L685 HydrophobicContact CG1-CD2 4.13Å
574L98.4Very high97.4Very high1 Ų113.7 Ų13.71%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-119.298.2-171.9-59-176.4000110.7W572 F607 M630 V631 V639 L640 V641 I642W572-L574 HydrophobicContact CB-CD2 4.38Å; W572-L574 HydrophobicContact CB-CG 4.44Å; L574-F607 HydrophobicContact CD2-CB 3.89Å; L574-F607 HydrophobicContact CD2-CD2 3.71Å; L574-F607 HydrophobicContact CD2-CG 4.24Å; L574-M630 HydrophobicContact CD1-CB 3.77Å; L574-M630 HydrophobicContact CD2-CB 4.45Å; L574-M630 HydrophobicContact CD2-CE 3.58Å; L574-M630 HydrophobicContact CD2-SD 4.13Å; L574-V631 HydrophobicContact CD1-CG2 3.7Å; L574-V639 HydrophobicContact CD1-CG1 3.57Å; L574-V639 HydrophobicContact CG-CG1 3.89Å; L574-L640 PolarHBondContact N-O 3.39Å; L574-V641 WeakPolarHBondContact O-CA 3.48Å; L574-I642 PolarHBondContact O-N 2.57Å
575P98.2Very high97.5Very high0 Ų016.9 Ų16.90%010%0.103CC..EExtended strand (participates in β ladder)trans-56.4135.4166.4-27.338.6000111I573 V577 V580 N581 A584 L606 H609 L627 I642I573-P575 WeakPolarHBondContact O-CD 3.47Å; P575-V577 VanDerWaalsContact C-N 3.28Å; P575-V580 HydrophobicContact CB-CG2 3.74Å; P575-V580 HydrophobicContact CG-CG2 4.42Å; P575-N581 WeakPolarHBondContact CG-OD1 3.49Å; P575-A584 HydrophobicContact CG-CB 4.28Å; P575-L606 HydrophobicContact CG-CD1 3.63Å; P575-H609 PolarHBondContact O-NE2 2.91Å; P575-L627 WeakPolarHBondContact O-CD1 3.44Å; P575-I642 CarbonylContact C-O 3.5Å; P575-I642 WeakPolarHBondContact CA-O 3.23Å
576T96.9Very high97.5Very high0 Ų021.7 Ų21.70%013%0.125CC..SBendtrans-79.4-19166.762.60000111.8G612 V641 I642 G643 E647 N649 V651 F654T576-G612 VanDerWaalsContact O-CA 3.22Å; T576-G612 WeakPolarHBondContact O-CA 3.45Å; T576-V641 HydrophobicContact CG2-CG1 3.52Å; T576-I642 PolarHBondContact N-O 3.43Å; T576-G643 WeakPolarHBondContact OG1-CA 3.32Å; T576-E647 PolarHBondContact OG1-OE1 2.89Å; T576-N649 WeakPolarHBondContact CB-O 3.17Å; T576-N649 PolarHBondContact O-ND2 3.12Å; T576-N649 PolarHBondContact OG1-O 3.43Å; T576-V651 HydrophobicContact CG2-CG2 4.08Å; T576-F654 HydrophobicContact CG2-CD2 4.46Å
577V95.9Very high97.6Very high4 Ų421.7 Ų21.72%0.02413%0.125CC..SBendtrans-145.5142-177.964.30000112P575 C579 V580 Y611 C613 L644 E647P575-V577 VanDerWaalsContact C-N 3.28Å; V577-C579 HydrophobicContact CG1-CB 4.34Å; V577-C579 HydrophobicContact CG2-CB 4.33Å; V577-C579 PolarHBondContact O-N 2.95Å; V577-V580 HydrophobicContact CG1-CG1 4.34Å; V577-V580 HydrophobicContact CG1-CG2 4.43Å; V577-V580 WeakPolarHBondContact O-CG2 3.42Å; V577-V580 PolarHBondContact O-N 2.98Å; V577-Y611 CarbonylContact C-O 3.32Å; V577-Y611 VanDerWaalsContact CA-O 3.29Å; V577-Y611 WeakPolarHBondContact CA-O 3.09Å; V577-C613 HydrophobicContact CG2-CB 3.97Å; V577-L644 HydrophobicContact CG1-CB 3.8Å; V577-E647 HydrophobicContact CB-CB 3.77Å; V577-E647 HydrophobicContact CB-CG 3.95Å; V577-E647 HydrophobicContact CG1-CB 3.99Å; V577-E647 HydrophobicContact CG1-CG 4.06Å; V577-E647 HydrophobicContact CG2-CB 3.86Å
578G93.6Very high97.5Very high19 Ų1922.7 Ų22.720%0.19613%0.13CC..G310 helixtrans-59.9-21.7-178.800000115.2V580 N581 H609 Y611G578-V580 PolarHBondContact O-N 3.39Å; G578-N581 WeakPolarHBondContact CA-ND2 3.49Å; G578-N581 VanDerWaalsContact O-CB 3.31Å; G578-N581 WeakPolarHBondContact O-CB 3.37Å; G578-N581 PolarHBondContact O-N 2.9Å; G578-N581 PolarHBondContact O-ND2 2.89Å; G578-N581 VanDerWaalsContact O-ND2 3.14Å; G578-H609 WeakPolarHBondContact CA-O 3.27Å; G578-Y611 PolarHBondContact N-O 3.08Å
579C96.1Very high97.5Very high94 Ų9426.3 Ų26.364%0.63515%0.149SC*.G310 helixtrans-61.9-24.3178.1-650000113.8V577 L644V577-C579 HydrophobicContact CG1-CB 4.34Å; V577-C579 HydrophobicContact CG2-CB 4.33Å; V577-C579 PolarHBondContact O-N 2.95Å; C579-L644 HydrophobicContact CB-CD2 3.94Å
580V96.7Very high97.5Very high0 Ų030.6 Ų30.60%017%0.165CC..G310 helixtrans-97.91.9178.8-55.60000113.6P575 V577 G578 G582 I583 A584 I642 L644P575-V580 HydrophobicContact CB-CG2 3.74Å; P575-V580 HydrophobicContact CG-CG2 4.42Å; V577-V580 HydrophobicContact CG1-CG1 4.34Å; V577-V580 HydrophobicContact CG1-CG2 4.43Å; V577-V580 WeakPolarHBondContact O-CG2 3.42Å; V577-V580 PolarHBondContact O-N 2.98Å; G578-V580 PolarHBondContact O-N 3.39Å; V580-G582 PolarHBondContact O-N 3.31Å; V580-G582 VanDerWaalsContact O-N 3.16Å; V580-I583 PolarHBondContact O-N 2.74Å; V580-I583 VanDerWaalsContact O-N 3.11Å; V580-A584 WeakPolarHBondContact O-CB 3.44Å; V580-A584 PolarHBondContact O-N 3.42Å; V580-I642 HydrophobicContact CB-CG2 4.33Å; V580-I642 HydrophobicContact CG2-CB 4.38Å; V580-I642 HydrophobicContact CG2-CG2 4.01Å; V580-I642 WeakPolarHBondContact CG2-O 3.22Å; V580-L644 HydrophobicContact CG1-CB 3.7Å; V580-L644 HydrophobicContact CG1-CD1 4.01Å; V580-L644 HydrophobicContact CG1-CG 4.38Å
581N96.8Very high97.5Very high29 Ų2930.5 Ų30.516%0.15517%0.165CC..Hα-helixtrans-53-39.8178.4-74.5-24.3000112.5P575 G578 R585 S608 H609P575-N581 WeakPolarHBondContact CG-OD1 3.49Å; G578-N581 WeakPolarHBondContact CA-ND2 3.49Å; G578-N581 VanDerWaalsContact O-CB 3.31Å; G578-N581 WeakPolarHBondContact O-CB 3.37Å; G578-N581 PolarHBondContact O-N 2.9Å; G578-N581 PolarHBondContact O-ND2 2.89Å; G578-N581 VanDerWaalsContact O-ND2 3.14Å; N581-R585 WeakPolarHBondContact O-CB 3.41Å; N581-R585 PolarHBondContact O-N 3.32Å; N581-R585 VanDerWaalsContact O-N 3.11Å; N581-S608 WeakPolarHBondContact OD1-CA 3.41Å; N581-S608 WeakPolarHBondContact OD1-CB 3.49Å; N581-H609 PolarHBondContact ND2-O 3.19Å
582G96.3Very high97.5Very high44 Ų4431.9 Ų31.945%0.45417%0.172SC..Hα-helixtrans-66.9-45.2178.700000112.9V580 R585 Q586V580-G582 PolarHBondContact O-N 3.31Å; V580-G582 VanDerWaalsContact O-N 3.16Å; G582-R585 PolarHBondContact O-N 3.04Å; G582-Q586 WeakPolarHBondContact O-CG 3.43Å; G582-Q586 PolarHBondContact O-N 3.49Å; G582-Q586 VanDerWaalsContact O-N 3.13Å
583I97.1Very high97.4Very high37 Ų3740.4 Ų40.419%0.1921%0.209CC..Hα-helixtrans-63.6-48.9177.8-66166.9000109.9V580 R585 Q586 I587 E677V580-I583 PolarHBondContact O-N 2.74Å; V580-I583 VanDerWaalsContact O-N 3.11Å; I583-R585 PolarHBondContact O-N 3.48Å; I583-Q586 WeakPolarHBondContact O-CB 3.5Å; I583-Q586 PolarHBondContact O-N 3.28Å; I583-I587 HydrophobicContact CG2-CD1 3.8Å; I583-I587 WeakPolarHBondContact O-CG1 3.39Å; I583-I587 PolarHBondContact O-N 3.27Å; I583-E677 HydrophobicContact CD1-CG 4.26Å; I583-E677 HydrophobicContact CG2-CG 3.64Å
584A98.2Very high97.3Very high0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-56.5-37.7177.300000112.3I573 P575 V580 I587 Q588 L606 I642I573-A584 HydrophobicContact CG2-CB 3.93Å; P575-A584 HydrophobicContact CG-CB 4.28Å; V580-A584 WeakPolarHBondContact O-CB 3.44Å; V580-A584 PolarHBondContact O-N 3.42Å; A584-I587 PolarHBondContact O-N 3.03Å; A584-Q588 WeakPolarHBondContact O-CB 3.34Å; A584-Q588 PolarHBondContact O-N 3Å; A584-L606 HydrophobicContact CB-CD1 3.61Å; A584-L606 HydrophobicContact CB-CD2 4.06Å; A584-L606 HydrophobicContact CB-CG 4.49Å; A584-I642 HydrophobicContact CB-CD1 4.06Å
585R98.1Very high97.2Very high113 Ų11345.4 Ų45.443%0.42623%0.233SC..Hα-helixtrans-68.8-36.7176.2-164.5-178.6-55.8-78.8-2.4112.5N581 G582 I583 N589 L606N581-R585 WeakPolarHBondContact O-CB 3.41Å; N581-R585 PolarHBondContact O-N 3.32Å; N581-R585 VanDerWaalsContact O-N 3.11Å; G582-R585 PolarHBondContact O-N 3.04Å; I583-R585 PolarHBondContact O-N 3.48Å; R585-N589 VanDerWaalsContact O-CB 3.31Å; R585-N589 WeakPolarHBondContact O-CB 3.19Å; R585-N589 PolarHBondContact O-N 3.32Å; R585-N589 PolarHBondContact O-ND2 3.11Å; R585-L606 HydrophobicContact CB-CD2 3.7Å; R585-L606 HydrophobicContact CG-CD2 4.29Å
586Q98.1Very high97Very high110 Ų11050.5 Ų50.551%0.51426%0.261SS..Hα-helixtrans-65.9-44.8174.9-68.9-177.916.600111.1G582 I583 N589 R590 I678G582-Q586 WeakPolarHBondContact O-CG 3.43Å; G582-Q586 PolarHBondContact O-N 3.49Å; G582-Q586 VanDerWaalsContact O-N 3.13Å; I583-Q586 WeakPolarHBondContact O-CB 3.5Å; I583-Q586 PolarHBondContact O-N 3.28Å; Q586-N589 PolarHBondContact O-N 2.95Å; Q586-R590 WeakPolarHBondContact O-CB 3.31Å; Q586-R590 PolarHBondContact O-N 3Å; Q586-I678 HydrophobicContact CB-CD1 4.37Å
587I98.5Very high96.8Very high0 Ų055.9 Ų55.90%029%0.289CS..Hα-helixtrans-56.7-53.6174.1-67.9161.7000110.3I583 A584 N589 R590 F591 I642 M669 I678 I682 L685I583-I587 HydrophobicContact CG2-CD1 3.8Å; I583-I587 WeakPolarHBondContact O-CG1 3.39Å; I583-I587 PolarHBondContact O-N 3.27Å; A584-I587 PolarHBondContact O-N 3.03Å; I587-N589 PolarHBondContact O-N 3.14Å; I587-R590 PolarHBondContact O-N 2.83Å; I587-F591 VanDerWaalsContact O-CB 3.28Å; I587-F591 WeakPolarHBondContact O-CB 3.35Å; I587-F591 PolarHBondContact O-N 2.96Å; I587-I642 HydrophobicContact CD1-CD1 3.99Å; I587-M669 HydrophobicContact CD1-CE 3.82Å; I587-I678 HydrophobicContact CG1-CB 4.41Å; I587-I678 HydrophobicContact CG1-CG2 4.22Å; I587-I682 HydrophobicContact CG2-CG1 4.24Å; I587-L685 HydrophobicContact CG2-CD1 3.51Å; I587-L685 HydrophobicContact CG2-CG 4.15Å
588Q98.3Very high96.8Very high22 Ų2255.7 Ų55.710%0.10329%0.288CS..Hα-helixtrans-54.8-52178.5-172.2-16417.200112I573 A584 R590 F591 L592 V604I573-Q588 HydrophobicContact CD1-CB 3.68Å; I573-Q588 HydrophobicContact CD1-CG 3.98Å; A584-Q588 WeakPolarHBondContact O-CB 3.34Å; A584-Q588 PolarHBondContact O-N 3Å; Q588-R590 VanDerWaalsContact C-N 3.32Å; Q588-R590 PolarHBondContact O-N 3.46Å; Q588-F591 PolarHBondContact O-N 2.88Å; Q588-L592 HydrophobicContact CG-CD1 3.94Å; Q588-L592 WeakPolarHBondContact O-CB 3.47Å; Q588-L592 WeakPolarHBondContact O-CG 3.34Å; Q588-L592 PolarHBondContact O-N 3.14Å; Q588-V604 HydrophobicContact CG-CG1 4.19Å; Q588-V604 PolarHBondContact NE2-O 3.48Å
589N97.9Very high96.8Very high78 Ų7860.6 Ų60.642%0.41731%0.306SS..Hα-helixtrans-63.2-38.3-176.2-77-23.1000112.5R585 Q586 I587 K593R585-N589 VanDerWaalsContact O-CB 3.31Å; R585-N589 WeakPolarHBondContact O-CB 3.19Å; R585-N589 PolarHBondContact O-N 3.32Å; R585-N589 PolarHBondContact O-ND2 3.11Å; Q586-N589 PolarHBondContact O-N 2.95Å; I587-N589 PolarHBondContact O-N 3.14Å; N589-K593 VanDerWaalsContact O-CG 3.3Å; N589-K593 WeakPolarHBondContact O-CG 3.36Å; N589-K593 PolarHBondContact O-N 3.42Å
590R98.3Very high96.7Very high89 Ų8958.6 Ų58.634%0.33630%0.302SS..Hα-helixtrans-72.7-44.8177.5-178.8166.5155.7-159.2-6.1110.9Q586 I587 Q588 L592 K593 E594 E679 I682Q586-R590 WeakPolarHBondContact O-CB 3.31Å; Q586-R590 PolarHBondContact O-N 3Å; I587-R590 PolarHBondContact O-N 2.83Å; Q588-R590 VanDerWaalsContact C-N 3.32Å; Q588-R590 PolarHBondContact O-N 3.46Å; R590-L592 PolarHBondContact O-N 3.12Å; R590-K593 WeakPolarHBondContact O-CB 3.18Å; R590-K593 PolarHBondContact O-N 3.04Å; R590-K593 VanDerWaalsContact O-N 3.16Å; R590-E594 WeakPolarHBondContact CG-OE1 3.22Å; R590-E594 IonicContact CZ-OE1 3.75Å; R590-E594 IonicContact NE-OE1 2.64Å; R590-E594 PolarHBondContact NE-OE1 3.18Å; R590-E594 IonicContact NH2-OE1 3.74Å; R590-E594 WeakPolarHBondContact O-CG 3.4Å; R590-E594 PolarHBondContact O-N 3.11Å; R590-E679 IonicContact CZ-OE1 2.63Å; R590-E679 IonicContact CZ-OE2 3.09Å; R590-E679 VanDerWaalsContact NH1-CD 3.32Å; R590-E679 IonicContact NH1-OE1 3.13Å; R590-E679 PolarHBondContact NH1-OE1 2.87Å; R590-E679 IonicContact NH1-OE2 2.77Å; R590-E679 IonicContact NH2-OE1 3.91Å; R590-E679 PolarHBondContact NH2-OE1 2.63Å; R590-E679 IonicContact NH2-OE2 3.73Å; R590-E679 PolarHBondContact NH2-OE2 3.08Å; R590-I682 HydrophobicContact CB-CD1 3.85Å; R590-I682 HydrophobicContact CG-CD1 3.53Å; R590-I682 VanDerWaalsContact CZ-CD1 3.5Å; R590-I682 VanDerWaalsContact NE-CD1 3.29Å
591F98.5Very high96.6Very high0 Ų059.8 Ų59.80%031%0.309CS..Hα-helixtrans-57.5-46.3175.9176.9-102.2000112.9L571 I587 Q588 K593 E594 T595 A598 V604 L685 H686 Y689L571-F591 HydrophobicContact CD1-CE1 4.36Å; I587-F591 VanDerWaalsContact O-CB 3.28Å; I587-F591 WeakPolarHBondContact O-CB 3.35Å; I587-F591 PolarHBondContact O-N 2.96Å; Q588-F591 PolarHBondContact O-N 2.88Å; F591-K593 VanDerWaalsContact C-N 3.29Å; F591-K593 PolarHBondContact O-N 3.07Å; F591-E594 PolarHBondContact O-N 3.48Å; F591-E594 VanDerWaalsContact O-N 3.15Å; F591-T595 HydrophobicContact CD2-CG2 3.96Å; F591-T595 HydrophobicContact CE1-CG2 4.19Å; F591-T595 HydrophobicContact CE2-CG2 3.41Å; F591-T595 VanDerWaalsContact CE2-CG2 3.41Å; F591-T595 HydrophobicContact CZ-CG2 3.53Å; F591-T595 PolarHBondContact O-N 3.13Å; F591-T595 PolarHBondContact O-OG1 3.12Å; F591-A598 HydrophobicContact CE1-CB 4.13Å; F591-V604 HydrophobicContact CD1-CG1 4.39Å; F591-V604 HydrophobicContact CD1-CG2 4.05Å; F591-V604 HydrophobicContact CE1-CG2 3.73Å; F591-L685 HydrophobicContact CB-CB 4.47Å; F591-L685 HydrophobicContact CB-CD1 3.6Å; F591-L685 HydrophobicContact CD1-CB 4.26Å; F591-L685 HydrophobicContact CD1-CD1 3.89Å; F591-L685 HydrophobicContact CD2-CB 3.47Å; F591-L685 VanDerWaalsContact CD2-CB 3.47Å; F591-L685 HydrophobicContact CD2-CD1 4.15Å; F591-L685 HydrophobicContact CD2-CG 4.48Å; F591-L685 HydrophobicContact CE1-CB 4.43Å; F591-L685 HydrophobicContact CE2-CB 3.68Å; F591-L685 HydrophobicContact CG-CB 3.79Å; F591-L685 HydrophobicContact CG-CD1 3.59Å; F591-L685 HydrophobicContact CG-CG 4.36Å; F591-L685 HydrophobicContact CZ-CB 4.17Å; F591-H686 AromaticContact CE2-CG 3.96Å; F591-H686 AromaticContact CE2-ND1 3.82Å; F591-Y689 HydrophobicContact CZ-CD1 4.05Å; F591-Y689 HydrophobicContact CZ-CD2 4.39Å; F591-Y689 AromaticContact CZ-CG 3.78Å; F591-Y689 HydrophobicContact CZ-CG 3.78Å
592L98Very high96.6Very high30 Ų3060.2 Ų60.216%0.15731%0.311CS..Hα-helixtrans-61-36.8177.3-75.6170.2000112.2Q588 R590 N596 N597 A598 V604Q588-L592 HydrophobicContact CG-CD1 3.94Å; Q588-L592 WeakPolarHBondContact O-CB 3.47Å; Q588-L592 WeakPolarHBondContact O-CG 3.34Å; Q588-L592 PolarHBondContact O-N 3.14Å; R590-L592 PolarHBondContact O-N 3.12Å; L592-N596 PolarHBondContact O-N 3.27Å; L592-N597 HydrophobicContact CD2-CB 4.29Å; L592-N597 PolarHBondContact O-N 2.93Å; L592-A598 HydrophobicContact CD2-CB 4.48Å; L592-V604 HydrophobicContact CD2-CB 3.86Å; L592-V604 HydrophobicContact CD2-CG2 3.72Å; L592-V604 HydrophobicContact CG-CB 4.35Å
593K96.8Very high96.7Very high178 Ų17858.7 Ų58.777%0.77430%0.296SS*.Hα-helixtrans-66.9-40.4174.4-72170.9-175.9177.80112.2N589 R590 F591 T595N589-K593 VanDerWaalsContact O-CG 3.3Å; N589-K593 WeakPolarHBondContact O-CG 3.36Å; N589-K593 PolarHBondContact O-N 3.42Å; R590-K593 WeakPolarHBondContact O-CB 3.18Å; R590-K593 PolarHBondContact O-N 3.04Å; R590-K593 VanDerWaalsContact O-N 3.16Å; F591-K593 VanDerWaalsContact C-N 3.29Å; F591-K593 PolarHBondContact O-N 3.07Å; K593-T595 VanDerWaalsContact C-N 3.33Å
594E97.2Very high96.7Very high92 Ų9257.2 Ų57.243%0.4329%0.288SS..Hα-helixtrans-72.2-25.8-179.4-70.6177.7-166.200113.2R590 F591 I682 H686R590-E594 WeakPolarHBondContact CG-OE1 3.22Å; R590-E594 IonicContact CZ-OE1 3.75Å; R590-E594 IonicContact NE-OE1 2.64Å; R590-E594 PolarHBondContact NE-OE1 3.18Å; R590-E594 IonicContact NH2-OE1 3.74Å; R590-E594 WeakPolarHBondContact O-CG 3.4Å; R590-E594 PolarHBondContact O-N 3.11Å; F591-E594 PolarHBondContact O-N 3.48Å; F591-E594 VanDerWaalsContact O-N 3.15Å; E594-I682 WeakPolarHBondContact OE2-CG2 3.2Å; E594-H686 IonicContact OE2-CD2 2.72Å; E594-H686 IonicContact OE2-CE1 3.13Å; E594-H686 IonicContact OE2-NE2 3.02Å; E594-H686 PolarHBondContact OE2-NE2 3.2Å
595T95.8Very high96.7Very high14 Ų1458.5 Ų58.59%0.08629%0.294CS..THydrogen-bonded Turntrans-110.311.2-173.758.20000114.6F591 K593 N597 A598 E599 Y689F591-T595 HydrophobicContact CD2-CG2 3.96Å; F591-T595 HydrophobicContact CE1-CG2 4.19Å; F591-T595 HydrophobicContact CE2-CG2 3.41Å; F591-T595 VanDerWaalsContact CE2-CG2 3.41Å; F591-T595 HydrophobicContact CZ-CG2 3.53Å; F591-T595 PolarHBondContact O-N 3.13Å; F591-T595 PolarHBondContact O-OG1 3.12Å; K593-T595 VanDerWaalsContact C-N 3.33Å; T595-N597 PolarHBondContact O-N 3.17Å; T595-A598 PolarHBondContact O-N 3.28Å; T595-A598 PolarHBondContact OG1-N 3Å; T595-A598 VanDerWaalsContact OG1-N 3.1Å; T595-E599 PolarHBondContact O-N 2.95Å; T595-Y689 HydrophobicContact CG2-CD1 4.05Å; T595-Y689 HydrophobicContact CG2-CE1 3.93Å
596N93.6Very high96.7Very high108 Ų10854 Ų5458%0.57828%0.278SS*.THydrogen-bonded Turntrans53.951.9-175.9-171.939.3000112.1L592 E599L592-N596 PolarHBondContact O-N 3.27Å; N596-E599 PolarHBondContact ND2-OE2 2.93Å
597N94.2Very high96.7Very high113 Ų11349 Ų4960%0.60426%0.255SS*.THydrogen-bonded Turntrans59.941.2-173.5-56.8-53.1000114.3L592 T595 E599L592-N597 HydrophobicContact CD2-CB 4.29Å; L592-N597 PolarHBondContact O-N 2.93Å; T595-N597 PolarHBondContact O-N 3.17Å; N597-E599 PolarHBondContact O-N 2.94Å
598A95.7Very high96.6Very high0 Ų051.2 Ų51.20%027%0.271CS..THydrogen-bonded Turntrans51.453.5-179.600000113.3F591 L592 T595 G600 T601 V604 Y689F591-A598 HydrophobicContact CE1-CB 4.13Å; L592-A598 HydrophobicContact CD2-CB 4.48Å; T595-A598 PolarHBondContact O-N 3.28Å; T595-A598 PolarHBondContact OG1-N 3Å; T595-A598 VanDerWaalsContact OG1-N 3.1Å; A598-G600 PolarHBondContact O-N 3.34Å; A598-T601 WeakPolarHBondContact O-CB 3.34Å; A598-T601 PolarHBondContact O-N 3.47Å; A598-T601 VanDerWaalsContact O-N 3.16Å; A598-T601 PolarHBondContact O-OG1 3.44Å; A598-V604 HydrophobicContact CB-CG2 3.41Å; A598-V604 VanDerWaalsContact CB-CG2 3.41Å; A598-Y689 HydrophobicContact CB-CD2 4.16Å; A598-Y689 HydrophobicContact CB-CE2 3.87Å
599E93.8Very high96.4Very high121 Ų12150.7 Ų50.757%0.56527%0.268SS*.THydrogen-bonded Turntrans-47.4131.4-177.4-173.4176176.200113.9T595 N596 N597 Y689T595-E599 PolarHBondContact O-N 2.95Å; N596-E599 PolarHBondContact ND2-OE2 2.93Å; N597-E599 PolarHBondContact O-N 2.94Å; E599-Y689 PolarHBondContact N-OH 2.76Å; E599-Y689 PolarHBondContact O-OH 3.22Å
600G91.9Very high96.1Very high53 Ų5352.9 Ų52.955%0.54628%0.284SS..THydrogen-bonded Turntrans87.95.6-17800000114.7A598A598-G600 PolarHBondContact O-N 3.34Å
601T96.5Very high95.9Very high24 Ų2451.2 Ų51.215%0.14728%0.278CS..SBendtrans-115.4173170.471.50000110.7N569 A598 G603 Y689 M692 R693N569-T601 WeakPolarHBondContact O-CB 3.32Å; A598-T601 WeakPolarHBondContact O-CB 3.34Å; A598-T601 PolarHBondContact O-N 3.47Å; A598-T601 VanDerWaalsContact O-N 3.16Å; A598-T601 PolarHBondContact O-OG1 3.44Å; T601-G603 VanDerWaalsContact C-N 3.26Å; T601-G603 PolarHBondContact OG1-N 3.2Å; T601-Y689 HydrophobicContact CG2-CD2 3.93Å; T601-Y689 HydrophobicContact CG2-CE2 3.78Å; T601-M692 HydrophobicContact CG2-CE 3.76Å; T601-M692 HydrophobicContact CG2-CG 4.25Å; T601-M692 HydrophobicContact CG2-SD 4.33Å; T601-R693 HydrophobicContact CG2-CB 4.41Å
602D96.9Very high95.4Very high38 Ų3851.2 Ų51.220%0.20328%0.278CS..SBendtrans-851.7174-70.6-65.7000112.8Y558 R568 N569 E570 R697Y558-D602 WeakPolarHBondContact CE2-OD2 3.16Å; Y558-D602 PolarHBondContact OH-OD2 2.89Å; R568-D602 WeakPolarHBondContact CA-OD2 3.35Å; R568-D602 HydrophobicContact CB-CB 4.16Å; N569-D602 PolarHBondContact N-OD2 3.23Å; N569-D602 PolarHBondContact O-N 3.31Å; E570-D602 HydrophobicContact CG-CB 3.83Å; D602-R697 IonicContact OD1-NH2 3.42Å; D602-R697 IonicContact OD2-NH2 3.23Å
603G96.7Very high95Very high13 Ų1352 Ų5213%0.13429%0.286CS..EExtended strand (participates in β ladder)trans128.4174.617200000114.6E570 L571 T601E570-G603 CarbonylContact C-O 3.56Å; E570-G603 WeakPolarHBondContact CA-O 3.49Å; L571-G603 PolarHBondContact N-O 3.09Å; T601-G603 VanDerWaalsContact C-N 3.26Å; T601-G603 PolarHBondContact OG1-N 3.2Å
604V98.3Very high94.5Very high5 Ų545.5 Ų45.53%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-122.8120.7177.2-172.70000109L571 I573 Q588 F591 L592 A598L571-V604 HydrophobicContact CB-CB 4.42Å; L571-V604 HydrophobicContact CB-CG1 4.17Å; L571-V604 HydrophobicContact CB-CG2 4.11Å; L571-V604 HydrophobicContact CD2-CG1 4.19Å; L571-V604 CarbonylContact O-C 3.45Å; L571-V604 VanDerWaalsContact O-CA 3.28Å; L571-V604 WeakPolarHBondContact O-CA 3.38Å; I573-V604 HydrophobicContact CD1-CG1 4.05Å; I573-V604 HydrophobicContact CG1-CG1 4.42Å; Q588-V604 HydrophobicContact CG-CG1 4.19Å; Q588-V604 PolarHBondContact NE2-O 3.48Å; F591-V604 HydrophobicContact CD1-CG1 4.39Å; F591-V604 HydrophobicContact CD1-CG2 4.05Å; F591-V604 HydrophobicContact CE1-CG2 3.73Å; L592-V604 HydrophobicContact CD2-CB 3.86Å; L592-V604 HydrophobicContact CD2-CG2 3.72Å; L592-V604 HydrophobicContact CG-CB 4.35Å; A598-V604 HydrophobicContact CB-CG2 3.41Å; A598-V604 VanDerWaalsContact CB-CG2 3.41Å
605F98.1Very high94Very high28 Ų2841.3 Ų41.312%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-127.9133.2-171.2-58-69.4000112.1E570 L571 W572 I573 F607 R931E570-F605 HydrophobicContact CB-CD2 4.1Å; E570-F605 HydrophobicContact CB-CE2 4.28Å; E570-F605 VanDerWaalsContact CD-CE2 3.42Å; E570-F605 HydrophobicContact CG-CD2 4.01Å; E570-F605 HydrophobicContact CG-CE2 3.74Å; E570-F605 WeakPolarHBondContact OE2-CD2 3.47Å; L571-F605 PolarHBondContact O-N 3.45Å; W572-F605 WeakPolarHBondContact CA-O 3.32Å; I573-F605 PolarHBondContact N-O 3.34Å; F605-F607 HydrophobicContact CB-CE1 4.27Å; F605-F607 HydrophobicContact CB-CE2 3.72Å; F605-F607 HydrophobicContact CB-CZ 3.55Å; F605-F607 HydrophobicContact CG-CZ 4.39Å; F605-R931 VanDerWaalsContact CZ-CZ 3.46Å
606L98Very high93.3Very high19 Ų1945.2 Ų45.210%0.09926%0.263CS..EExtended strand (participates in β ladder)trans-95.7118.9171.6167.760.1000109.5I573 P575 A584 R585 S608I573-L606 HydrophobicContact CB-CD1 4.21Å; I573-L606 HydrophobicContact CG2-CD1 4.06Å; P575-L606 HydrophobicContact CG-CD1 3.63Å; A584-L606 HydrophobicContact CB-CD1 3.61Å; A584-L606 HydrophobicContact CB-CD2 4.06Å; A584-L606 HydrophobicContact CB-CG 4.49Å; R585-L606 HydrophobicContact CB-CD2 3.7Å; R585-L606 HydrophobicContact CG-CD2 4.29Å; L606-S608 PolarHBondContact O-N 2.97Å
607F97.9Very high93Very high3 Ų342.7 Ų42.71%0.01326%0.262CS..  trans-99.985175.9-60.3-73.1000110.6W572 I573 L574 F605 M630 F870 R931 L933W572-F607 HydrophobicContact CB-CD2 4.21Å; W572-F607 HydrophobicContact CB-CE2 3.95Å; W572-F607 AromaticContact CD1-CE2 3.51Å; W572-F607 HydrophobicContact CD2-CD2 4.28Å; W572-F607 AromaticContact CD2-CE2 3.57Å; W572-F607 HydrophobicContact CD2-CE2 3.57Å; W572-F607 HydrophobicContact CD2-CZ 4.33Å; W572-F607 AromaticContact CE2-CE2 3.77Å; W572-F607 HydrophobicContact CE3-CE2 4.25Å; W572-F607 HydrophobicContact CG-CD2 4.13Å; W572-F607 AromaticContact CG-CE2 3.43Å; W572-F607 HydrophobicContact CG-CE2 3.43Å; W572-F607 VanDerWaalsContact CG-CE2 3.43Å; W572-F607 HydrophobicContact CG-CZ 4.4Å; W572-F607 AromaticContact NE1-CE2 3.66Å; W572-F607 AromaticContact NE1-CZ 3.91Å; I573-F607 PolarHBondContact O-N 3.03Å; I573-F607 VanDerWaalsContact O-N 3.13Å; L574-F607 HydrophobicContact CD2-CB 3.89Å; L574-F607 HydrophobicContact CD2-CD2 3.71Å; L574-F607 HydrophobicContact CD2-CG 4.24Å; F605-F607 HydrophobicContact CB-CE1 4.27Å; F605-F607 HydrophobicContact CB-CE2 3.72Å; F605-F607 HydrophobicContact CB-CZ 3.55Å; F605-F607 HydrophobicContact CG-CZ 4.39Å; F607-M630 HydrophobicContact CB-CE 3.67Å; F607-M630 HydrophobicContact CD1-CE 4.16Å; F607-M630 HydrophobicContact CD2-CE 3.63Å; F607-M630 HydrophobicContact CE2-CE 4.32Å; F607-M630 HydrophobicContact CG-CE 3.51Å; F607-F870 HydrophobicContact CD1-CB 3.55Å; F607-F870 HydrophobicContact CE1-CB 3.11Å; F607-F870 HydrophobicContact CE1-CG 4.43Å; F607-F870 HydrophobicContact CE2-CB 4.4Å; F607-F870 HydrophobicContact CG-CB 4.36Å; F607-F870 HydrophobicContact CZ-CB 3.59Å; F607-R931 HydrophobicContact CE1-CB 4.17Å; F607-L933 HydrophobicContact CB-CB 4.43Å; F607-L933 HydrophobicContact CB-CD2 4.31Å
608S95.8Very high92.6Very high48 Ų4842.7 Ų42.734%0.33626%0.262SS..  trans-74.1142.5178.7550000112.3N581 L606N581-S608 WeakPolarHBondContact OD1-CA 3.41Å; N581-S608 WeakPolarHBondContact OD1-CB 3.49Å; L606-S608 PolarHBondContact O-N 2.97Å
609H95.1Very high92.4Very high10 Ų1042.8 Ų42.85%0.04626%0.263CS..  trans-138.3168.9167.861.977.6000110.4P575 G578 N581 Y611 L933P575-H609 PolarHBondContact O-NE2 2.91Å; G578-H609 WeakPolarHBondContact CA-O 3.27Å; N581-H609 PolarHBondContact ND2-O 3.19Å; H609-Y611 PolarHBondContact CE1-O 3.46Å; H609-Y611 WeakPolarHBondContact ND1-CA 3.48Å; H609-Y611 PolarHBondContact ND1-N 3.23Å; H609-Y611 PolarHBondContact ND1-O 3.37Å; H609-Y611 VanDerWaalsContact ND1-O 3.15Å; H609-L933 HydrophobicContact CB-CD2 4.44Å
610T91.7Very high92.2Very high124 Ų12438.5 Ų38.576%0.76124%0.243SC*.SBendtrans-93.8-5.6-179.852.40000113.7
611Y93.3Very high92.2Very high54 Ų5439.3 Ų39.321%0.21223%0.234CC..  trans-89.6-173.3-174.4-58.7-43.5000115V577 G578 H609 Q615 I935 K937V577-Y611 CarbonylContact C-O 3.32Å; V577-Y611 VanDerWaalsContact CA-O 3.29Å; V577-Y611 WeakPolarHBondContact CA-O 3.09Å; G578-Y611 PolarHBondContact N-O 3.08Å; H609-Y611 PolarHBondContact CE1-O 3.46Å; H609-Y611 WeakPolarHBondContact ND1-CA 3.48Å; H609-Y611 PolarHBondContact ND1-N 3.23Å; H609-Y611 PolarHBondContact ND1-O 3.37Å; H609-Y611 VanDerWaalsContact ND1-O 3.15Å; Y611-Q615 HydrophobicContact CD1-CG 4.46Å; Y611-Q615 VanDerWaalsContact CG-NE2 3.32Å; Y611-I935 HydrophobicContact CD2-CB 3.9Å; Y611-I935 HydrophobicContact CD2-CD1 4.22Å; Y611-I935 HydrophobicContact CD2-CG1 4.31Å; Y611-I935 HydrophobicContact CE2-CB 3.89Å; Y611-K937 HydrophobicContact CD1-CD 4.46Å; Y611-K937 HydrophobicContact CE1-CD 3.57Å
612G87.8Confident92.1Very high0 Ų039.5 Ų39.50%023%0.234CC..SBendtrans108.7-19.3176.700000115.3T576 N648 N649T576-G612 VanDerWaalsContact O-CA 3.22Å; T576-G612 WeakPolarHBondContact O-CA 3.45Å; G612-N648 PolarHBondContact O-N 3Å; G612-N649 WeakPolarHBondContact O-CB 3.32Å; G612-N649 PolarHBondContact O-N 3.45Å
613C89.3Confident92Very high48 Ų4837.7 Ų37.732%0.32422%0.224SC..SBendtrans-136.6161.9171.7-161.10000109.6V577 Q615 E647V577-C613 HydrophobicContact CG2-CB 3.97Å; C613-Q615 PolarHBondContact O-N 3.3Å; C613-E647 HydrophobicContact CB-CB 4.24Å
614S86.4Confident91.9Very high41 Ų4139.4 Ų39.429%0.28723%0.227SC..SBendtrans54.821.5-178.4-62.50000115.4T941 L942S614-T941 WeakPolarHBondContact O-CA 3.45Å; S614-L942 PolarHBondContact O-N 3.24Å
615Q86.2Confident91.8Very high4 Ų440.8 Ų40.82%0.01924%0.235CC..BIsolated β-bridgetrans-100.1139.9168.8-69174.9-63.400109.5Y611 C613 D619 H620 T623Y611-Q615 HydrophobicContact CD1-CG 4.46Å; Y611-Q615 VanDerWaalsContact CG-NE2 3.32Å; C613-Q615 PolarHBondContact O-N 3.3Å; Q615-D619 HydrophobicContact CB-CB 4.14Å; Q615-D619 HydrophobicContact CG-CB 4.34Å; Q615-D619 PolarHBondContact NE2-O 2.99Å; Q615-H620 HydrophobicContact CB-CB 3.85Å; Q615-T623 PolarHBondContact NE2-OG1 3.14Å; Q615-T623 PolarHBondContact OE1-OG1 3.44Å
616L82.1Confident91.8Very high96 Ų9639.5 Ų39.550%0.50323%0.23SC..  trans-113.5153.4179.6-58.9177.9000110D618 D619L616-D618 PolarHBondContact O-N 2.7Å; L616-D619 PolarHBondContact O-N 2.83Å
617G86.5Confident91.8Very high54 Ų5438.6 Ų38.656%0.55723%0.225SC*.Hα-helixtrans50.6-128.417200000113.7D619 H620 I621G617-D619 VanDerWaalsContact C-N 3.33Å; G617-D619 PolarHBondContact O-N 2.97Å; G617-H620 PolarHBondContact O-N 3.09Å; G617-I621 PolarHBondContact O-N 3.29Å
618D86.8Confident91.8Very high113 Ų11339 Ų3960%0.60423%0.227SC*.Hα-helixtrans-64.7-31.5-173.2-62.3-26000113.4L616 H620 I621 N622L616-D618 PolarHBondContact O-N 2.7Å; D618-H620 VanDerWaalsContact C-N 3.29Å; D618-H620 PolarHBondContact O-N 2.98Å; D618-I621 CarbonylContact O-C 3.57Å; D618-I621 PolarHBondContact O-N 2.8Å; D618-N622 VanDerWaalsContact O-CB 3.28Å; D618-N622 WeakPolarHBondContact O-CB 3.23Å; D618-N622 PolarHBondContact O-N 2.88Å; D618-N622 PolarHBondContact O-ND2 2.85Å
619D90.6Very high91.9Very high3 Ų337.2 Ų37.22%0.01621%0.213CC..Hα-helixtrans-61.8-39.9178.1-74-19.9000112Q615 L616 G617 T623 K937 S938 G939Q615-D619 HydrophobicContact CB-CB 4.14Å; Q615-D619 HydrophobicContact CG-CB 4.34Å; Q615-D619 PolarHBondContact NE2-O 2.99Å; L616-D619 PolarHBondContact O-N 2.83Å; G617-D619 VanDerWaalsContact C-N 3.33Å; G617-D619 PolarHBondContact O-N 2.97Å; D619-T623 WeakPolarHBondContact O-CB 3.47Å; D619-T623 PolarHBondContact O-N 2.91Å; D619-T623 PolarHBondContact O-OG1 3.41Å; D619-K937 WeakPolarHBondContact OD1-CA 3.34Å; D619-K937 WeakPolarHBondContact OD2-CG 3.22Å; D619-S938 PolarHBondContact OD1-N 2.93Å; D619-S938 PolarHBondContact OD1-OG 3.45Å; D619-G939 PolarHBondContact OD1-N 3.14Å; D619-G939 WeakPolarHBondContact OD2-CA 3.31Å; D619-G939 PolarHBondContact OD2-N 3Å
620H91Very high92.1Very high31 Ų3136.7 Ų36.714%0.14421%0.211CC..Hα-helixtrans-67.4-43.1177.3176.955000110.8Q615 G617 D618 T623 R624 N648 N649Q615-H620 HydrophobicContact CB-CB 3.85Å; G617-H620 PolarHBondContact O-N 3.09Å; D618-H620 VanDerWaalsContact C-N 3.29Å; D618-H620 PolarHBondContact O-N 2.98Å; H620-T623 PolarHBondContact O-N 3.43Å; H620-R624 PolarHBondContact O-N 3.27Å; H620-N648 VanDerWaalsContact CE1-C 3.5Å; H620-N649 PolarHBondContact CE1-N 3.22Å
621I91.5Very high92.4Very high70 Ų7031.2 Ų31.236%0.35918%0.178SC..Hα-helixtrans-64.9-43.5177.3-63.8170.5000110.7G617 D618 T623 R624 T625G617-I621 PolarHBondContact O-N 3.29Å; D618-I621 CarbonylContact O-C 3.57Å; D618-I621 PolarHBondContact O-N 2.8Å; I621-T623 VanDerWaalsContact C-N 3.34Å; I621-T623 PolarHBondContact O-N 2.79Å; I621-R624 PolarHBondContact O-N 3.2Å; I621-T625 VanDerWaalsContact O-CB 3.26Å; I621-T625 WeakPolarHBondContact O-CB 3.45Å; I621-T625 PolarHBondContact O-N 2.77Å; I621-T625 PolarHBondContact O-OG1 2.83Å
622N93.3Very high92.5Very high27 Ų2733.9 Ų33.914%0.14419%0.187CC..Hα-helixtrans-59.9-44.2177.5-76-14.2000111.4D618 T625 M626 Y824 I935D618-N622 VanDerWaalsContact O-CB 3.28Å; D618-N622 WeakPolarHBondContact O-CB 3.23Å; D618-N622 PolarHBondContact O-N 2.88Å; D618-N622 PolarHBondContact O-ND2 2.85Å; N622-T625 PolarHBondContact O-N 2.73Å; N622-M626 VanDerWaalsContact O-CB 3.28Å; N622-M626 WeakPolarHBondContact O-CB 3.34Å; N622-M626 PolarHBondContact O-N 3.25Å; N622-Y824 HydrophobicContact CB-CD1 4.4Å; N622-Y824 HydrophobicContact CB-CE1 3.97Å; N622-I935 HydrophobicContact CB-CG2 4.46Å
623T95Very high93Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-62.6-49.7177-59.20000111.5Q615 D619 H620 I621 T625 M626 L627 I935Q615-T623 PolarHBondContact NE2-OG1 3.14Å; Q615-T623 PolarHBondContact OE1-OG1 3.44Å; D619-T623 WeakPolarHBondContact O-CB 3.47Å; D619-T623 PolarHBondContact O-N 2.91Å; D619-T623 PolarHBondContact O-OG1 3.41Å; H620-T623 PolarHBondContact O-N 3.43Å; I621-T623 VanDerWaalsContact C-N 3.34Å; I621-T623 PolarHBondContact O-N 2.79Å; T623-T625 PolarHBondContact O-N 2.77Å; T623-M626 PolarHBondContact O-N 2.98Å; T623-L627 HydrophobicContact CG2-CD1 4.18Å; T623-L627 VanDerWaalsContact O-CG 3.3Å; T623-L627 WeakPolarHBondContact O-CG 3.35Å; T623-L627 PolarHBondContact O-N 3.12Å; T623-L627 VanDerWaalsContact O-N 3.14Å; T623-I935 HydrophobicContact CG2-CD1 3.9Å
624R95.6Very high93.4Very high49 Ų4932 Ų3219%0.18518%0.175CC..Hα-helixtrans-58.9-47.9176.6-179.317562.8-164.7-2.9111.5H620 I621 L627 Q628 N649 F654H620-R624 PolarHBondContact O-N 3.27Å; I621-R624 PolarHBondContact O-N 3.2Å; R624-L627 PolarHBondContact O-N 3.25Å; R624-Q628 HydrophobicContact CG-CG 4.4Å; R624-Q628 WeakPolarHBondContact O-CB 3.39Å; R624-Q628 VanDerWaalsContact O-CG 3.22Å; R624-Q628 WeakPolarHBondContact O-CG 3.22Å; R624-Q628 PolarHBondContact O-N 2.9Å; R624-N649 WeakPolarHBondContact CB-OD1 3.43Å; R624-N649 WeakPolarHBondContact CG-OD1 3.12Å; R624-F654 HydrophobicContact CG-CD2 3.96Å; R624-F654 HydrophobicContact CG-CE2 4.5Å
625T96.2Very high94Very high34 Ų3430.1 Ų30.121%0.20916%0.161CC..Hα-helixtrans-65.1-43.2-176.9-550000111.6I621 N622 T623 L627 Q628 N629 G825I621-T625 VanDerWaalsContact O-CB 3.26Å; I621-T625 WeakPolarHBondContact O-CB 3.45Å; I621-T625 PolarHBondContact O-N 2.77Å; I621-T625 PolarHBondContact O-OG1 2.83Å; N622-T625 PolarHBondContact O-N 2.73Å; T623-T625 PolarHBondContact O-N 2.77Å; T625-L627 PolarHBondContact O-N 3.11Å; T625-Q628 PolarHBondContact O-N 2.95Å; T625-N629 WeakPolarHBondContact O-CB 3.29Å; T625-N629 VanDerWaalsContact O-CG 3.29Å; T625-N629 PolarHBondContact O-N 3.08Å; T625-G825 WeakPolarHBondContact CG2-O 3.43Å
626M97.4Very high94.5Very high1 Ų130.5 Ų30.51%0.00517%0.165CC..Hα-helixtrans-60.5-47.8176.8-179.755.17200111.5N622 T623 Q628 N629 M630 Y824 S847 L933 I935N622-M626 VanDerWaalsContact O-CB 3.28Å; N622-M626 WeakPolarHBondContact O-CB 3.34Å; N622-M626 PolarHBondContact O-N 3.25Å; T623-M626 PolarHBondContact O-N 2.98Å; M626-Q628 VanDerWaalsContact C-N 3.34Å; M626-Q628 PolarHBondContact O-N 3.11Å; M626-N629 WeakPolarHBondContact O-CB 3.46Å; M626-N629 PolarHBondContact O-N 3.5Å; M626-M630 WeakPolarHBondContact O-CG 3.39Å; M626-M630 PolarHBondContact O-N 2.91Å; M626-Y824 HydrophobicContact CE-CE2 4.39Å; M626-Y824 WeakPolarHBondContact CE-OH 3.34Å; M626-S847 WeakPolarHBondContact CE-O 3.49Å; M626-L933 HydrophobicContact CG-CD1 3.94Å; M626-I935 HydrophobicContact CB-CD1 4.27Å; M626-I935 HydrophobicContact CB-CG1 4.41Å; M626-I935 HydrophobicContact CB-CG2 4.39Å; M626-I935 HydrophobicContact CG-CD1 4.27Å; M626-I935 HydrophobicContact CG-CG1 4.1Å
627L98.2Very high95.3Very high1 Ų126 Ų261%0.00514%0.142CC..Hα-helixtrans-63.2-39.3176.8-68.4174.3000111.9P575 T623 R624 T625 N629 M630 V631 F654 L933P575-L627 WeakPolarHBondContact O-CD1 3.44Å; T623-L627 HydrophobicContact CG2-CD1 4.18Å; T623-L627 VanDerWaalsContact O-CG 3.3Å; T623-L627 WeakPolarHBondContact O-CG 3.35Å; T623-L627 PolarHBondContact O-N 3.12Å; T623-L627 VanDerWaalsContact O-N 3.14Å; R624-L627 PolarHBondContact O-N 3.25Å; T625-L627 PolarHBondContact O-N 3.11Å; L627-N629 VanDerWaalsContact C-N 3.34Å; L627-M630 HydrophobicContact CD2-SD 4.25Å; L627-M630 WeakPolarHBondContact O-CB 3.35Å; L627-M630 PolarHBondContact O-N 2.7Å; L627-V631 WeakPolarHBondContact O-CG2 3.43Å; L627-V631 PolarHBondContact O-N 2.61Å; L627-F654 HydrophobicContact CB-CE2 3.64Å; L627-F654 HydrophobicContact CB-CZ 4.06Å; L627-F654 HydrophobicContact CD1-CE2 4.49Å; L627-L933 HydrophobicContact CD2-CD2 4.07Å
628Q98.3Very high95.8Very high12 Ų1223.5 Ų23.56%0.05612%0.116CC..Hα-helixtrans-63.3-39.7173.7-74.2170.6-16.700112.1R624 T625 M626 M630 V631 R632 F654 T657 L658R624-Q628 HydrophobicContact CG-CG 4.4Å; R624-Q628 WeakPolarHBondContact O-CB 3.39Å; R624-Q628 VanDerWaalsContact O-CG 3.22Å; R624-Q628 WeakPolarHBondContact O-CG 3.22Å; R624-Q628 PolarHBondContact O-N 2.9Å; T625-Q628 PolarHBondContact O-N 2.95Å; M626-Q628 VanDerWaalsContact C-N 3.34Å; M626-Q628 PolarHBondContact O-N 3.11Å; Q628-M630 VanDerWaalsContact C-N 3.32Å; Q628-M630 PolarHBondContact O-N 2.89Å; Q628-V631 WeakPolarHBondContact O-CB 3.47Å; Q628-V631 PolarHBondContact O-N 3.06Å; Q628-R632 WeakPolarHBondContact O-CG 3.16Å; Q628-R632 PolarHBondContact O-N 2.8Å; Q628-F654 HydrophobicContact CB-CZ 4.25Å; Q628-F654 HydrophobicContact CG-CD1 4.28Å; Q628-F654 HydrophobicContact CG-CD2 4.07Å; Q628-F654 HydrophobicContact CG-CE1 3.83Å; Q628-F654 HydrophobicContact CG-CE2 3.59Å; Q628-F654 HydrophobicContact CG-CG 4.39Å; Q628-F654 HydrophobicContact CG-CZ 3.46Å; Q628-F654 VanDerWaalsContact CG-CZ 3.46Å; Q628-F654 PolarHBondContact NE2-O 3.31Å; Q628-T657 PolarHBondContact NE2-OG1 3.28Å; Q628-T657 PolarHBondContact OE1-OG1 3.5Å; Q628-L658 HydrophobicContact CB-CD1 3.69Å; Q628-L658 HydrophobicContact CG-CB 4.32Å; Q628-L658 HydrophobicContact CG-CD1 3.75Å
629N98Very high96.4Very high9 Ų918.2 Ų18.25%0.0489%0.088CC..Hα-helixtrans-64.3-38.3174.9-77.4-13.1000111.9T625 M626 L627 R632 H633 G825 R827 G851T625-N629 WeakPolarHBondContact O-CB 3.29Å; T625-N629 VanDerWaalsContact O-CG 3.29Å; T625-N629 PolarHBondContact O-N 3.08Å; M626-N629 WeakPolarHBondContact O-CB 3.46Å; M626-N629 PolarHBondContact O-N 3.5Å; L627-N629 VanDerWaalsContact C-N 3.34Å; N629-R632 CarbonylContact O-C 3.6Å; N629-R632 PolarHBondContact O-N 2.82Å; N629-H633 PolarHBondContact O-N 3.49Å; N629-H633 VanDerWaalsContact O-N 3.15Å; N629-G825 PolarHBondContact ND2-O 2.89Å; N629-R827 WeakPolarHBondContact OD1-CD 3.49Å; N629-R827 WeakPolarHBondContact OD1-CG 3.3Å; N629-G851 WeakPolarHBondContact CB-O 3.28Å
630M98.4Very high96.8Very high0 Ų018.1 Ų18.10%09%0.087CC..Hα-helixtrans-63.7-41.9172.4-68.5176.779.300112.1W572 L574 F607 M626 L627 Q628 R632 H633 F870 L933W572-M630 HydrophobicContact CE3-CB 4.14Å; W572-M630 HydrophobicContact CE3-CE 4.27Å; W572-M630 HydrophobicContact CZ3-CB 3.96Å; W572-M630 HydrophobicContact CZ3-CE 4.32Å; W572-M630 HydrophobicContact CZ3-CG 4.38Å; W572-M630 WeakPolarHBondContact CZ3-O 3.03Å; L574-M630 HydrophobicContact CD1-CB 3.77Å; L574-M630 HydrophobicContact CD2-CB 4.45Å; L574-M630 HydrophobicContact CD2-CE 3.58Å; L574-M630 HydrophobicContact CD2-SD 4.13Å; F607-M630 HydrophobicContact CB-CE 3.67Å; F607-M630 HydrophobicContact CD1-CE 4.16Å; F607-M630 HydrophobicContact CD2-CE 3.63Å; F607-M630 HydrophobicContact CE2-CE 4.32Å; F607-M630 HydrophobicContact CG-CE 3.51Å; M626-M630 WeakPolarHBondContact O-CG 3.39Å; M626-M630 PolarHBondContact O-N 2.91Å; L627-M630 HydrophobicContact CD2-SD 4.25Å; L627-M630 WeakPolarHBondContact O-CB 3.35Å; L627-M630 PolarHBondContact O-N 2.7Å; Q628-M630 VanDerWaalsContact C-N 3.32Å; Q628-M630 PolarHBondContact O-N 2.89Å; M630-R632 PolarHBondContact O-N 2.75Å; M630-H633 VanDerWaalsContact O-CB 3.29Å; M630-H633 WeakPolarHBondContact O-CB 3.37Å; M630-H633 PolarHBondContact O-N 3.4Å; M630-H633 VanDerWaalsContact O-N 3.07Å; M630-F870 HydrophobicContact CE-CB 4.22Å; M630-F870 HydrophobicContact CE-CD1 3.95Å; M630-F870 HydrophobicContact CE-CD2 4.04Å; M630-F870 HydrophobicContact CE-CE1 4.26Å; M630-F870 HydrophobicContact CE-CE2 4.33Å; M630-F870 HydrophobicContact CE-CG 3.83Å; M630-F870 HydrophobicContact CE-CZ 4.42Å; M630-F870 HydrophobicContact CG-CE1 4.16Å; M630-F870 HydrophobicContact CG-CE2 3.9Å; M630-F870 HydrophobicContact CG-CZ 3.69Å; M630-F870 HydrophobicContact SD-CD1 4.47Å; M630-F870 HydrophobicContact SD-CE1 4.24Å; M630-F870 HydrophobicContact SD-CZ 4.36Å; M630-L933 HydrophobicContact CE-CD1 4.49Å; M630-L933 HydrophobicContact CE-CD2 4.29Å; M630-L933 HydrophobicContact SD-CD1 3.76Å; M630-L933 HydrophobicContact SD-CD2 3.68Å; M630-L933 HydrophobicContact SD-CG 4.32Å
631V98.5Very high97.2Very high9 Ų916.6 Ų16.66%0.0558%0.08CC..Hα-helixtrans-56.7-34.9174.91740000111.5L574 L627 Q628 V639 V641 F654 L658 I661 V666L574-V631 HydrophobicContact CD1-CG2 3.7Å; L627-V631 WeakPolarHBondContact O-CG2 3.43Å; L627-V631 PolarHBondContact O-N 2.61Å; Q628-V631 WeakPolarHBondContact O-CB 3.47Å; Q628-V631 PolarHBondContact O-N 3.06Å; V631-V639 HydrophobicContact CG2-CG1 3.98Å; V631-V641 HydrophobicContact CG2-CG2 3.62Å; V631-F654 HydrophobicContact CG2-CE1 4.06Å; V631-F654 HydrophobicContact CG2-CZ 3.94Å; V631-L658 HydrophobicContact CB-CD1 3.87Å; V631-L658 HydrophobicContact CG1-CD1 3.89Å; V631-L658 HydrophobicContact CG1-CD2 4.02Å; V631-L658 HydrophobicContact CG2-CD1 4.41Å; V631-I661 HydrophobicContact CG1-CG2 4.3Å; V631-V666 HydrophobicContact CG1-CB 4.49Å; V631-V666 HydrophobicContact CG1-CG1 3.65Å; V631-V666 HydrophobicContact CG1-CG2 3.96Å
632R96.3Very high97.5Very high109 Ų10913.3 Ų13.341%0.4116%0.063SC..THydrogen-bonded Turntrans-93.27.7-178.7-61173.665.3-160.60.5113.8Q628 N629 M630 L658 R827Q628-R632 WeakPolarHBondContact O-CG 3.16Å; Q628-R632 PolarHBondContact O-N 2.8Å; N629-R632 CarbonylContact O-C 3.6Å; N629-R632 PolarHBondContact O-N 2.82Å; M630-R632 PolarHBondContact O-N 2.75Å; R632-L658 WeakPolarHBondContact CD-O 3.48Å; R632-L658 HydrophobicContact CG-CD1 4.18Å; R632-R827 PolarHBondContact O-NH1 3.33Å; R632-R827 PolarHBondContact O-NH2 2.99Å
633H98.1Very high97.7Very high2 Ų212 Ų121%0.0096%0.056CC..  trans-81128.8-176-166.1-81.2000110.7W572 N629 M630 N635 A636 A850 C854W572-H633 HydrophobicContact CH2-CB 3.76Å; W572-H633 AromaticContact CH2-CG 3.71Å; W572-H633 AromaticContact CH2-ND1 3.6Å; W572-H633 HydrophobicContact CZ3-CB 3.6Å; N629-H633 PolarHBondContact O-N 3.49Å; N629-H633 VanDerWaalsContact O-N 3.15Å; M630-H633 VanDerWaalsContact O-CB 3.29Å; M630-H633 WeakPolarHBondContact O-CB 3.37Å; M630-H633 PolarHBondContact O-N 3.4Å; M630-H633 VanDerWaalsContact O-N 3.07Å; H633-N635 VanDerWaalsContact C-N 3.27Å; H633-N635 WeakPolarHBondContact ND1-CB 3.31Å; H633-N635 PolarHBondContact ND1-N 3.47Å; H633-N635 PolarHBondContact O-N 3.1Å; H633-A636 VanDerWaalsContact O-CB 3.3Å; H633-A636 WeakPolarHBondContact O-CB 3.4Å; H633-A636 PolarHBondContact O-N 3.19Å; H633-A850 PolarHBondContact CD2-O 3.44Å; H633-A850 PolarHBondContact NE2-O 2.77Å; H633-C854 PolarHBondContact NE2-O 3.02Å; H633-C854 VanDerWaalsContact NE2-O 3.14Å
634P96.9Very high97.7Very high8 Ų813.7 Ų13.75%0.0527%0.065CC..THydrogen-bonded Turntrans-74.3-13.8-169.230.4-38000115R560 D564 V565 A636R560-P634 HydrophobicContact CG-CB 4.34Å; R560-P634 PolarHBondContact NE-O 2.88Å; R560-P634 PolarHBondContact NH2-O 3.03Å; D564-P634 HydrophobicContact CB-CB 3.95Å; V565-P634 WeakPolarHBondContact O-CB 3.25Å; V565-P634 WeakPolarHBondContact O-CG 3.41Å; P634-A636 PolarHBondContact O-N 3.08Å
635N98.4Very high97.6Very high0 Ų012.7 Ų12.70%07%0.07CC..THydrogen-bonded Turntrans-69.1-21.7167.6-72.6-9.4000112.7V567 R568 E570 W572 H633 G637 H855V567-N635 WeakPolarHBondContact CG2-OD1 3.42Å; V567-N635 PolarHBondContact N-OD1 2.97Å; R568-N635 CarbonylContact C-O 3.58Å; R568-N635 HydrophobicContact CB-CB 4.01Å; R568-N635 PolarHBondContact N-OD1 3Å; R568-N635 CarbonylContact O-C 3.45Å; R568-N635 WeakPolarHBondContact O-CA 3.34Å; R568-N635 VanDerWaalsContact O-O 3.11Å; E570-N635 PolarHBondContact N-O 3.19Å; W572-N635 HydrophobicContact CZ2-CB 4.21Å; H633-N635 VanDerWaalsContact C-N 3.27Å; H633-N635 WeakPolarHBondContact ND1-CB 3.31Å; H633-N635 PolarHBondContact ND1-N 3.47Å; H633-N635 PolarHBondContact O-N 3.1Å; N635-G637 PolarHBondContact O-N 3.07Å; N635-H855 PolarHBondContact ND2-O 2.91Å; N635-H855 VanDerWaalsContact ND2-O 3.11Å
636A98.1Very high97.3Very high12 Ų1214.7 Ų14.710%0.0999%0.085CC..EExtended strand (participates in β ladder)trans-80.1106.9170.100000108.8E570 W572 H633 P634 A638 V639E570-A636 CarbonylContact O-C 3.53Å; E570-A636 WeakPolarHBondContact O-CA 3.26Å; W572-A636 HydrophobicContact CD2-CB 3.59Å; W572-A636 HydrophobicContact CE3-CB 3.68Å; W572-A636 HydrophobicContact CG-CB 3.95Å; W572-A636 HydrophobicContact CH2-CB 4.5Å; W572-A636 HydrophobicContact CZ2-CB 4.46Å; W572-A636 HydrophobicContact CZ3-CB 4.15Å; H633-A636 VanDerWaalsContact O-CB 3.3Å; H633-A636 WeakPolarHBondContact O-CB 3.4Å; H633-A636 PolarHBondContact O-N 3.19Å; P634-A636 PolarHBondContact O-N 3.08Å; A636-A638 VanDerWaalsContact C-N 3.29Å; A636-V639 HydrophobicContact CB-CG2 3.64Å
637G97.6Very high97Very high2 Ų214.8 Ų14.82%0.0219%0.085CC..EExtended strand (participates in β ladder)trans-71.7-28.217200000112.8N569 E570 N635 R665N569-G637 WeakPolarHBondContact OD1-CA 3.47Å; E570-G637 PolarHBondContact O-N 2.85Å; N635-G637 PolarHBondContact O-N 3.07Å; G637-R665 WeakPolarHBondContact O-CD 3.31Å; G637-R665 PolarHBondContact O-NH1 3.24Å
638A98.5Very high96.4Very high2 Ų218.6 Ų18.62%0.01711%0.106CC..EExtended strand (participates in β ladder)trans-155.1158.6170.200000111.1E570 L571 W572 A636 R665 L688 M692E570-A638 PolarHBondContact O-N 3.01Å; L571-A638 WeakPolarHBondContact CA-O 3.26Å; L571-A638 HydrophobicContact CG-CB 4.27Å; W572-A638 PolarHBondContact N-O 3.47Å; A636-A638 VanDerWaalsContact C-N 3.29Å; A638-R665 CarbonylContact C-O 3.53Å; A638-R665 WeakPolarHBondContact CA-O 3.34Å; A638-R665 HydrophobicContact CB-CB 4.46Å; A638-R665 WeakPolarHBondContact CB-O 3.02Å; A638-L688 HydrophobicContact CB-CB 3.88Å; A638-L688 HydrophobicContact CB-CD1 4.47Å; A638-L688 HydrophobicContact CB-CD2 4.12Å; A638-L688 HydrophobicContact CB-CG 4.37Å; A638-M692 HydrophobicContact CB-CB 4.32Å; A638-M692 HydrophobicContact CB-CG 4.31Å; A638-M692 HydrophobicContact CB-SD 3.64Å
639V98.8Very high96Very high2 Ų218.1 Ų18.11%0.01210%0.103CC..EExtended strand (participates in β ladder)trans-139.8132-174.8-1730000111.2W572 L574 V631 A636 V641 R665 V666 H667 L688W572-V639 HydrophobicContact CB-CG1 4.5Å; W572-V639 HydrophobicContact CB-CG2 4.36Å; W572-V639 CarbonylContact O-C 3.57Å; W572-V639 VanDerWaalsContact O-CA 3.29Å; W572-V639 WeakPolarHBondContact O-CA 3.16Å; L574-V639 HydrophobicContact CD1-CG1 3.57Å; L574-V639 HydrophobicContact CG-CG1 3.89Å; V631-V639 HydrophobicContact CG2-CG1 3.98Å; A636-V639 HydrophobicContact CB-CG2 3.64Å; V639-V641 HydrophobicContact CG1-CG2 4.15Å; V639-R665 PolarHBondContact N-O 3.49Å; V639-V666 HydrophobicContact CB-CG2 4.45Å; V639-V666 WeakPolarHBondContact O-CA 3.03Å; V639-H667 PolarHBondContact O-N 2.92Å; V639-L688 WeakPolarHBondContact O-CD1 3.15Å
640L98.8Very high95.6Very high0 Ų022.1 Ų22.10%012%0.122CC..EExtended strand (participates in β ladder)trans-109.9113.4166.9177.759.6000109.5W572 I573 L574 I642 H667 M669 H684 L685 L688W572-L640 PolarHBondContact O-N 3.44Å; I573-L640 WeakPolarHBondContact CA-O 3.28Å; L574-L640 PolarHBondContact N-O 3.39Å; L640-I642 HydrophobicContact CD2-CD1 3.92Å; L640-I642 HydrophobicContact CD2-CG1 4.07Å; L640-I642 HydrophobicContact CG-CD1 4.18Å; L640-I642 HydrophobicContact CG-CG1 3.8Å; L640-H667 HydrophobicContact CD1-CB 3.85Å; L640-M669 HydrophobicContact CD1-CB 4.33Å; L640-H684 HydrophobicContact CD1-CB 3.92Å; L640-H684 HydrophobicContact CD2-CB 4.23Å; L640-L685 HydrophobicContact CB-CD2 3.93Å; L640-L685 HydrophobicContact CD2-CD2 3.67Å; L640-L685 HydrophobicContact CD2-CG 3.95Å; L640-L685 HydrophobicContact CG-CD2 4.46Å; L640-L688 HydrophobicContact CB-CD1 3.91Å
641V98.7Very high95.3Very high0 Ų022.5 Ų22.50%012%0.124CC..EExtended strand (participates in β ladder)trans-90.6123.5173.3-179.60000109.3L574 T576 V631 V639 F654 H667 F668 M669L574-V641 WeakPolarHBondContact O-CA 3.48Å; T576-V641 HydrophobicContact CG2-CG1 3.52Å; V631-V641 HydrophobicContact CG2-CG2 3.62Å; V639-V641 HydrophobicContact CG1-CG2 4.15Å; V641-F654 HydrophobicContact CG1-CD1 4.43Å; V641-F654 HydrophobicContact CG1-CE1 4.24Å; V641-F654 HydrophobicContact CG1-CZ 4.49Å; V641-F654 HydrophobicContact CG2-CE1 4.18Å; V641-H667 PolarHBondContact N-O 3.02Å; V641-F668 HydrophobicContact CB-CD1 3.61Å; V641-F668 HydrophobicContact CB-CE1 3.87Å; V641-F668 HydrophobicContact CB-CG 4.49Å; V641-F668 HydrophobicContact CG1-CD1 3.97Å; V641-F668 HydrophobicContact CG1-CE1 4.23Å; V641-F668 HydrophobicContact CG2-CD1 4.1Å; V641-F668 HydrophobicContact CG2-CE1 3.83Å; V641-F668 WeakPolarHBondContact O-CA 3.24Å; V641-M669 PolarHBondContact O-N 2.8Å
642I98.3Very high95Very high0 Ų024.9 Ų24.90%014%0.144CC..EExtended strand (participates in β ladder)trans-117.3115.8-176.4-53.6-178.2000109.8I573 L574 P575 T576 V580 A584 I587 L640 M669 C671I573-I642 HydrophobicContact CG2-CD1 3.56Å; I573-I642 HydrophobicContact CG2-CG1 4.21Å; L574-I642 PolarHBondContact O-N 2.57Å; P575-I642 CarbonylContact C-O 3.5Å; P575-I642 WeakPolarHBondContact CA-O 3.23Å; T576-I642 PolarHBondContact N-O 3.43Å; V580-I642 HydrophobicContact CB-CG2 4.33Å; V580-I642 HydrophobicContact CG2-CB 4.38Å; V580-I642 HydrophobicContact CG2-CG2 4.01Å; V580-I642 WeakPolarHBondContact CG2-O 3.22Å; A584-I642 HydrophobicContact CB-CD1 4.06Å; I587-I642 HydrophobicContact CD1-CD1 3.99Å; L640-I642 HydrophobicContact CD2-CD1 3.92Å; L640-I642 HydrophobicContact CD2-CG1 4.07Å; L640-I642 HydrophobicContact CG-CD1 4.18Å; L640-I642 HydrophobicContact CG-CG1 3.8Å; I642-M669 WeakPolarHBondContact CA-O 3.06Å; I642-M669 HydrophobicContact CD1-CE 4.04Å; I642-M669 HydrophobicContact CG1-CE 4.17Å; I642-M669 HydrophobicContact CG2-CE 3.74Å; I642-C671 VanDerWaalsContact CG2-SG 3.57Å
643G97.4Very high94.6Very high0 Ų021.1 Ų21.10%014%0.137CC..EExtended strand (participates in β ladder)trans-104159.7170.100000113.1T576 E647 M669 I670 C671T576-G643 WeakPolarHBondContact OG1-CA 3.32Å; G643-E647 WeakPolarHBondContact CA-OE1 3.37Å; G643-M669 PolarHBondContact N-O 2.89Å; G643-I670 WeakPolarHBondContact O-CA 3.32Å; G643-C671 PolarHBondContact O-N 2.97Å
644L96.3Very high94.4Very high35 Ų3521 Ų2118%0.18314%0.136CC..  trans-80.2-47.3173.3-178.957000110.1V577 C579 V580 C646 E647 C671 Q672V577-L644 HydrophobicContact CG1-CB 3.8Å; C579-L644 HydrophobicContact CB-CD2 3.94Å; V580-L644 HydrophobicContact CG1-CB 3.7Å; V580-L644 HydrophobicContact CG1-CD1 4.01Å; V580-L644 HydrophobicContact CG1-CG 4.38Å; L644-C646 VanDerWaalsContact CD2-SG 3.52Å; L644-E647 WeakPolarHBondContact CB-OE2 3.46Å; L644-E647 PolarHBondContact N-OE1 3.24Å; L644-E647 PolarHBondContact N-OE2 3.46Å; L644-C671 HydrophobicContact CD1-CB 4.42Å; L644-Q672 HydrophobicContact CD1-CG 4.12Å; L644-Q672 HydrophobicContact CG-CG 4.48Å; L644-Q672 VanDerWaalsContact O-CB 3.31Å; L644-Q672 WeakPolarHBondContact O-CB 3.19Å; L644-Q672 VanDerWaalsContact O-CG 3.24Å; L644-Q672 WeakPolarHBondContact O-CG 3.35Å; L644-Q672 PolarHBondContact O-N 3.37Å
645G92.3Very high94.3Very high28 Ų2827.5 Ų27.529%0.28916%0.16SC..SBendtrans119.4-9.8-178.100000114.5E647G645-E647 PolarHBondContact N-OE2 3.25Å
646C90.7Very high94Very high76 Ų7635.2 Ų35.251%0.51420%0.196SC..SBendtrans-125.7-2.5-178680000114.6L644L644-C646 VanDerWaalsContact CD2-SG 3.52Å
647E89.9Confident93.8Very high4 Ų438.2 Ų38.22%0.01921%0.213CC..SBendtrans-67.9167.2175.770.4-83.1-168.600112.6T576 V577 C613 G643 L644 G645 N649 Q650T576-E647 PolarHBondContact OG1-OE1 2.89Å; V577-E647 HydrophobicContact CB-CB 3.77Å; V577-E647 HydrophobicContact CB-CG 3.95Å; V577-E647 HydrophobicContact CG1-CB 3.99Å; V577-E647 HydrophobicContact CG1-CG 4.06Å; V577-E647 HydrophobicContact CG2-CB 3.86Å; C613-E647 HydrophobicContact CB-CB 4.24Å; G643-E647 WeakPolarHBondContact CA-OE1 3.37Å; L644-E647 WeakPolarHBondContact CB-OE2 3.46Å; L644-E647 PolarHBondContact N-OE1 3.24Å; L644-E647 PolarHBondContact N-OE2 3.46Å; G645-E647 PolarHBondContact N-OE2 3.25Å; E647-N649 HydrophobicContact CG-CB 4.33Å; E647-N649 WeakPolarHBondContact CG-O 3.12Å; E647-Q650 WeakPolarHBondContact O-CG 3.37Å; E647-Q650 PolarHBondContact O-NE2 2.69Å
648N87.1Confident93.6Very high81 Ų8138.3 Ų38.343%0.43321%0.213SC..SBendtrans-68.6-38.1170.8-69.111.8000110.8G612 H620 Q650G612-N648 PolarHBondContact O-N 3Å; H620-N648 VanDerWaalsContact CE1-C 3.5Å; N648-Q650 PolarHBondContact O-N 2.67Å
649N88Confident93.2Very high1 Ų140.5 Ų40.51%0.00524%0.236CC..SBendtrans-82.759.5-179.9-166.129.1000112.8T576 G612 H620 R624 E647T576-N649 WeakPolarHBondContact CB-O 3.17Å; T576-N649 PolarHBondContact O-ND2 3.12Å; T576-N649 PolarHBondContact OG1-O 3.43Å; G612-N649 WeakPolarHBondContact O-CB 3.32Å; G612-N649 PolarHBondContact O-N 3.45Å; H620-N649 PolarHBondContact CE1-N 3.22Å; R624-N649 WeakPolarHBondContact CB-OD1 3.43Å; R624-N649 WeakPolarHBondContact CG-OD1 3.12Å; E647-N649 HydrophobicContact CG-CB 4.33Å; E647-N649 WeakPolarHBondContact CG-O 3.12Å
650Q90.9Very high92.8Very high94 Ų9448.2 Ų48.244%0.43928%0.277SS..  trans-65.7142.4-175.7-60.6-170.62.700112E647 N648 A652 A653 F654E647-Q650 WeakPolarHBondContact O-CG 3.37Å; E647-Q650 PolarHBondContact O-NE2 2.69Å; N648-Q650 PolarHBondContact O-N 2.67Å; Q650-A652 PolarHBondContact O-N 3.38Å; Q650-A652 VanDerWaalsContact O-N 3.14Å; Q650-A653 PolarHBondContact O-N 3.46Å; Q650-A653 VanDerWaalsContact O-N 3.15Å; Q650-F654 WeakPolarHBondContact O-CB 3.28Å; Q650-F654 PolarHBondContact O-N 2.73Å
651V92Very high92.6Very high7 Ų751 Ų514%0.04229%0.291CS..Hα-helixtrans-53-36.1178.6170.80000113T576 F654 R655 F668 I670T576-V651 HydrophobicContact CG2-CG2 4.08Å; V651-F654 WeakPolarHBondContact O-CB 3.39Å; V651-F654 PolarHBondContact O-N 2.86Å; V651-R655 HydrophobicContact CG1-CG 4.44Å; V651-R655 VanDerWaalsContact O-CG 3.25Å; V651-R655 WeakPolarHBondContact O-CG 3.28Å; V651-R655 PolarHBondContact O-N 3.03Å; V651-F668 HydrophobicContact CG1-CB 3.83Å; V651-F668 HydrophobicContact CG1-CD1 3.83Å; V651-F668 HydrophobicContact CG1-CG 4.13Å; V651-I670 HydrophobicContact CB-CD1 4.06Å; V651-I670 HydrophobicContact CB-CG1 3.96Å; V651-I670 HydrophobicContact CG1-CD1 4.42Å; V651-I670 HydrophobicContact CG1-CG1 4.34Å; V651-I670 HydrophobicContact CG2-CG1 3.88Å
652A91.3Very high92.4Very high59 Ų5953.6 Ų53.649%0.48831%0.305SS..Hα-helixtrans-61.9-55.7177.200000111.7Q650 F654 R655 E656Q650-A652 PolarHBondContact O-N 3.38Å; Q650-A652 VanDerWaalsContact O-N 3.14Å; A652-F654 VanDerWaalsContact C-N 3.27Å; A652-F654 PolarHBondContact O-N 2.67Å; A652-R655 PolarHBondContact O-N 3.24Å; A652-R655 VanDerWaalsContact O-N 3.08Å; A652-E656 WeakPolarHBondContact O-CG 3.49Å; A652-E656 PolarHBondContact O-N 2.99Å; A652-E656 VanDerWaalsContact O-N 3.14Å
653A89.1Confident92.2Very high30 Ų3058.1 Ų58.125%0.24833%0.334CS..Hα-helixtrans-64.2-32.4177.200000112.4Q650 R655 E656Q650-A653 PolarHBondContact O-N 3.46Å; Q650-A653 VanDerWaalsContact O-N 3.15Å; A653-R655 VanDerWaalsContact C-N 3.33Å; A653-E656 PolarHBondContact O-N 2.78Å
654F93.9Very high92.1Very high1 Ų164 Ų640%0.00436%0.362CS..Hα-helixtrans-61.1-41.4172.3-174.5-81.8000111.7T576 R624 L627 Q628 V631 V641 Q650 V651 A652 L658 F668T576-F654 HydrophobicContact CG2-CD2 4.46Å; R624-F654 HydrophobicContact CG-CD2 3.96Å; R624-F654 HydrophobicContact CG-CE2 4.5Å; L627-F654 HydrophobicContact CB-CE2 3.64Å; L627-F654 HydrophobicContact CB-CZ 4.06Å; L627-F654 HydrophobicContact CD1-CE2 4.49Å; Q628-F654 HydrophobicContact CB-CZ 4.25Å; Q628-F654 HydrophobicContact CG-CD1 4.28Å; Q628-F654 HydrophobicContact CG-CD2 4.07Å; Q628-F654 HydrophobicContact CG-CE1 3.83Å; Q628-F654 HydrophobicContact CG-CE2 3.59Å; Q628-F654 HydrophobicContact CG-CG 4.39Å; Q628-F654 HydrophobicContact CG-CZ 3.46Å; Q628-F654 VanDerWaalsContact CG-CZ 3.46Å; Q628-F654 PolarHBondContact NE2-O 3.31Å; V631-F654 HydrophobicContact CG2-CE1 4.06Å; V631-F654 HydrophobicContact CG2-CZ 3.94Å; V641-F654 HydrophobicContact CG1-CD1 4.43Å; V641-F654 HydrophobicContact CG1-CE1 4.24Å; V641-F654 HydrophobicContact CG1-CZ 4.49Å; V641-F654 HydrophobicContact CG2-CE1 4.18Å; Q650-F654 WeakPolarHBondContact O-CB 3.28Å; Q650-F654 PolarHBondContact O-N 2.73Å; V651-F654 WeakPolarHBondContact O-CB 3.39Å; V651-F654 PolarHBondContact O-N 2.86Å; A652-F654 VanDerWaalsContact C-N 3.27Å; A652-F654 PolarHBondContact O-N 2.67Å; F654-L658 HydrophobicContact CE1-CD1 4.23Å; F654-L658 HydrophobicContact CE1-CD2 4.13Å; F654-L658 WeakPolarHBondContact O-CB 3.49Å; F654-L658 PolarHBondContact O-N 2.95Å; F654-F668 AromaticContact CD1-CE1 3.95Å; F654-F668 HydrophobicContact CD1-CE1 3.95Å; F654-F668 HydrophobicContact CE1-CE1 4.08Å
655R94.3Very high92.2Very high144 Ų14464.5 Ų64.554%0.54336%0.361SS..Hα-helixtrans-72.6-35179.9-72.2174.872.5-173.53.7112.6V651 A652 A653 T657 L658 F668V651-R655 HydrophobicContact CG1-CG 4.44Å; V651-R655 VanDerWaalsContact O-CG 3.25Å; V651-R655 WeakPolarHBondContact O-CG 3.28Å; V651-R655 PolarHBondContact O-N 3.03Å; A652-R655 PolarHBondContact O-N 3.24Å; A652-R655 VanDerWaalsContact O-N 3.08Å; A653-R655 VanDerWaalsContact C-N 3.33Å; R655-T657 PolarHBondContact O-N 2.77Å; R655-L658 PolarHBondContact O-N 3.09Å; R655-F668 HydrophobicContact CG-CD1 3.82Å; R655-F668 HydrophobicContact CG-CD2 4.31Å; R655-F668 HydrophobicContact CG-CE1 3.54Å; R655-F668 HydrophobicContact CG-CE2 4.06Å; R655-F668 HydrophobicContact CG-CG 4.21Å; R655-F668 HydrophobicContact CG-CZ 3.68Å
656E92.7Very high92.5Very high161 Ų16163.8 Ų63.875%0.75235%0.351SS*.Hα-helixtrans-57.9-34.3-179.2-74.3172.5-175.100113.3A652 A653A652-E656 WeakPolarHBondContact O-CG 3.49Å; A652-E656 PolarHBondContact O-N 2.99Å; A652-E656 VanDerWaalsContact O-N 3.14Å; A653-E656 PolarHBondContact O-N 2.78Å
657T92.3Very high92.8Very high75 Ų7561.5 Ų61.546%0.4633%0.333SS..THydrogen-bonded Turntrans-109.64.7-178.575.60000114.4Q628 R655Q628-T657 PolarHBondContact NE2-OG1 3.28Å; Q628-T657 PolarHBondContact OE1-OG1 3.5Å; R655-T657 PolarHBondContact O-N 2.77Å
658L94.7Very high93.2Very high5 Ų562.9 Ų62.93%0.02634%0.339CS..THydrogen-bonded Turntrans-71.1-30.6-178.9177.262.3000112.7Q628 V631 R632 F654 R655 I661 F668Q628-L658 HydrophobicContact CB-CD1 3.69Å; Q628-L658 HydrophobicContact CG-CB 4.32Å; Q628-L658 HydrophobicContact CG-CD1 3.75Å; V631-L658 HydrophobicContact CB-CD1 3.87Å; V631-L658 HydrophobicContact CG1-CD1 3.89Å; V631-L658 HydrophobicContact CG1-CD2 4.02Å; V631-L658 HydrophobicContact CG2-CD1 4.41Å; R632-L658 WeakPolarHBondContact CD-O 3.48Å; R632-L658 HydrophobicContact CG-CD1 4.18Å; F654-L658 HydrophobicContact CE1-CD1 4.23Å; F654-L658 HydrophobicContact CE1-CD2 4.13Å; F654-L658 WeakPolarHBondContact O-CB 3.49Å; F654-L658 PolarHBondContact O-N 2.95Å; R655-L658 PolarHBondContact O-N 3.09Å; L658-I661 HydrophobicContact CD2-CD1 4.11Å; L658-I661 HydrophobicContact CD2-CG2 3.71Å; L658-I661 HydrophobicContact CG-CG2 3.92Å; L658-F668 HydrophobicContact CD2-CE1 4.21Å; L658-F668 HydrophobicContact CD2-CZ 3.63Å
659G89.6Confident93.7Very high48 Ų4859.2 Ų59.250%0.49532%0.319SS..  trans82-167.1-171.200000112.8
660D90.8Very high94.2Very high164 Ų16460.6 Ų60.688%0.87733%0.327SS*.  trans-68.6135.4-176.6-61.8-36.9000111.9
661I93.5Very high94.5Very high57 Ų5756.5 Ų56.529%0.29231%0.308SS..  trans-136.8155.1178.252.2164.4000110.2V631 L658 P663 V666 F668V631-I661 HydrophobicContact CG1-CG2 4.3Å; L658-I661 HydrophobicContact CD2-CD1 4.11Å; L658-I661 HydrophobicContact CD2-CG2 3.71Å; L658-I661 HydrophobicContact CG-CG2 3.92Å; I661-P663 WeakPolarHBondContact O-CD 3.42Å; I661-V666 HydrophobicContact CB-CB 4.28Å; I661-V666 HydrophobicContact CB-CG2 4.17Å; I661-V666 HydrophobicContact CD1-CB 3.84Å; I661-V666 HydrophobicContact CD1-CG1 3.76Å; I661-V666 HydrophobicContact CG2-CG2 4.35Å; I661-F668 HydrophobicContact CD1-CE2 3.52Å; I661-F668 HydrophobicContact CD1-CZ 3.78Å
662D94.6Very high94.6Very high55 Ų5562.1 Ų62.129%0.29433%0.334SS..  trans-79.1111.4168.5179.7-3.4000109.2E664 R665 V666D662-E664 PolarHBondContact O-N 3.45Å; D662-E664 WeakPolarHBondContact OD1-CB 3.31Å; D662-E664 PolarHBondContact OD1-N 3.39Å; D662-R665 HydrophobicContact CB-CB 4.2Å; D662-R665 HydrophobicContact CB-CG 4.49Å; D662-R665 PolarHBondContact O-N 3.35Å; D662-R665 VanDerWaalsContact OD2-CD 3.25Å; D662-R665 WeakPolarHBondContact OD2-CD 3.41Å; D662-R665 WeakPolarHBondContact OD2-CG 3.38Å; D662-R665 IonicContact OD2-NE 3.91Å; D662-V666 PolarHBondContact O-N 2.93Å
663P94.6Very high94.9Very high95 Ų9565.9 Ų65.962%0.61734%0.341SS*.THydrogen-bonded Turntrans-67-17.2-177.829.9-35.9000113.2I661 R665 H667I661-P663 WeakPolarHBondContact O-CD 3.42Å; P663-R665 VanDerWaalsContact C-N 3.25Å; P663-H667 PolarHBondContact O-CD2 2.96Å; P663-H667 PolarHBondContact O-NE2 3.38Å
664E96.4Very high95.2Very high123 Ų12367.8 Ų67.858%0.57535%0.345SS*.THydrogen-bonded Turntrans-77.5-14.4173.6-60.6-168.8127.800112.3D662 V691D662-E664 PolarHBondContact O-N 3.45Å; D662-E664 WeakPolarHBondContact OD1-CB 3.31Å; D662-E664 PolarHBondContact OD1-N 3.39Å; E664-V691 HydrophobicContact CB-CG1 4.32Å; E664-V691 HydrophobicContact CB-CG2 4.24Å
665R97.3Very high95.1Very high47 Ų4776.3 Ų76.318%0.17739%0.391CS..THydrogen-bonded Turntrans-120.4-12.9-175.2-66.8-178.7178.1-95.60.4114.1G637 A638 V639 D662 P663 L688 V691 D695G637-R665 WeakPolarHBondContact O-CD 3.31Å; G637-R665 PolarHBondContact O-NH1 3.24Å; A638-R665 CarbonylContact C-O 3.53Å; A638-R665 WeakPolarHBondContact CA-O 3.34Å; A638-R665 HydrophobicContact CB-CB 4.46Å; A638-R665 WeakPolarHBondContact CB-O 3.02Å; V639-R665 PolarHBondContact N-O 3.49Å; D662-R665 HydrophobicContact CB-CB 4.2Å; D662-R665 HydrophobicContact CB-CG 4.49Å; D662-R665 PolarHBondContact O-N 3.35Å; D662-R665 VanDerWaalsContact OD2-CD 3.25Å; D662-R665 WeakPolarHBondContact OD2-CD 3.41Å; D662-R665 WeakPolarHBondContact OD2-CG 3.38Å; D662-R665 IonicContact OD2-NE 3.91Å; P663-R665 VanDerWaalsContact C-N 3.25Å; R665-L688 WeakPolarHBondContact O-CD2 3.42Å; R665-V691 HydrophobicContact CG-CG1 4.05Å; R665-D695 IonicContact CZ-OD1 3.62Å; R665-D695 IonicContact CZ-OD2 2.67Å; R665-D695 IonicContact NH1-OD1 3.58Å; R665-D695 IonicContact NH1-OD2 3.24Å; R665-D695 PolarHBondContact NH1-OD2 2.95Å; R665-D695 IonicContact NH2-OD1 2.66Å; R665-D695 PolarHBondContact NH2-OD1 3.31Å; R665-D695 IonicContact NH2-OD2 3.96Å; R665-D695 PolarHBondContact NH2-OD2 3.28Å
666V98.4Very high95.2Very high13 Ų1373.1 Ų73.18%0.07939%0.385CS..EExtended strand (participates in β ladder)trans-126.8108.5178.6-176.80000109.8V631 V639 I661 D662 F668V631-V666 HydrophobicContact CG1-CB 4.49Å; V631-V666 HydrophobicContact CG1-CG1 3.65Å; V631-V666 HydrophobicContact CG1-CG2 3.96Å; V639-V666 HydrophobicContact CB-CG2 4.45Å; V639-V666 WeakPolarHBondContact O-CA 3.03Å; I661-V666 HydrophobicContact CB-CB 4.28Å; I661-V666 HydrophobicContact CB-CG2 4.17Å; I661-V666 HydrophobicContact CD1-CB 3.84Å; I661-V666 HydrophobicContact CD1-CG1 3.76Å; I661-V666 HydrophobicContact CG2-CG2 4.35Å; D662-V666 PolarHBondContact O-N 2.93Å; V666-F668 HydrophobicContact CG1-CE1 4.5Å; V666-F668 HydrophobicContact CG1-CE2 3.75Å; V666-F668 HydrophobicContact CG1-CZ 3.65Å
667H98.5Very high95.4Very high28 Ų2868 Ų6813%0.1336%0.361CS..EExtended strand (participates in β ladder)trans-106.6155.8176.3-71.9-177.6000111.5V639 L640 V641 P663 H684 Q687 L688V639-H667 PolarHBondContact O-N 2.92Å; L640-H667 HydrophobicContact CD1-CB 3.85Å; V641-H667 PolarHBondContact N-O 3.02Å; P663-H667 PolarHBondContact O-CD2 2.96Å; P663-H667 PolarHBondContact O-NE2 3.38Å; H667-H684 HydrophobicContact CB-CB 4.41Å; H667-H684 AromaticContact CG-ND1 3.8Å; H667-H684 AromaticContact ND1-CG 3.93Å; H667-H684 AromaticContact ND1-ND1 3.25Å; H667-H684 PolarHBondContact ND1-ND1 3.16Å; H667-Q687 PolarHBondContact CE1-OE1 3.42Å; H667-L688 HydrophobicContact CB-CD1 4.15Å; H667-L688 HydrophobicContact CB-CD2 4.21Å; H667-L688 HydrophobicContact CB-CG 4.33Å
668F98.2Very high95.6Very high33 Ų3366.1 Ų66.115%0.14535%0.347CS..EExtended strand (participates in β ladder)trans-129.8135.4178.7-59.5-92.1000110V641 V651 F654 R655 L658 I661 V666V641-F668 HydrophobicContact CB-CD1 3.61Å; V641-F668 HydrophobicContact CB-CE1 3.87Å; V641-F668 HydrophobicContact CB-CG 4.49Å; V641-F668 HydrophobicContact CG1-CD1 3.97Å; V641-F668 HydrophobicContact CG1-CE1 4.23Å; V641-F668 HydrophobicContact CG2-CD1 4.1Å; V641-F668 HydrophobicContact CG2-CE1 3.83Å; V641-F668 WeakPolarHBondContact O-CA 3.24Å; V651-F668 HydrophobicContact CG1-CB 3.83Å; V651-F668 HydrophobicContact CG1-CD1 3.83Å; V651-F668 HydrophobicContact CG1-CG 4.13Å; F654-F668 AromaticContact CD1-CE1 3.95Å; F654-F668 HydrophobicContact CD1-CE1 3.95Å; F654-F668 HydrophobicContact CE1-CE1 4.08Å; R655-F668 HydrophobicContact CG-CD1 3.82Å; R655-F668 HydrophobicContact CG-CD2 4.31Å; R655-F668 HydrophobicContact CG-CE1 3.54Å; R655-F668 HydrophobicContact CG-CE2 4.06Å; R655-F668 HydrophobicContact CG-CG 4.21Å; R655-F668 HydrophobicContact CG-CZ 3.68Å; L658-F668 HydrophobicContact CD2-CE1 4.21Å; L658-F668 HydrophobicContact CD2-CZ 3.63Å; I661-F668 HydrophobicContact CD1-CE2 3.52Å; I661-F668 HydrophobicContact CD1-CZ 3.78Å; V666-F668 HydrophobicContact CG1-CE1 4.5Å; V666-F668 HydrophobicContact CG1-CE2 3.75Å; V666-F668 HydrophobicContact CG1-CZ 3.65Å
669M97.2Very high95.8Very high3 Ų369.8 Ų69.82%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-132.4141.7176.7-173.217973.600110.3I587 L640 V641 I642 G643 Q674 E677 A680 G681I587-M669 HydrophobicContact CD1-CE 3.82Å; L640-M669 HydrophobicContact CD1-CB 4.33Å; V641-M669 PolarHBondContact O-N 2.8Å; I642-M669 WeakPolarHBondContact CA-O 3.06Å; I642-M669 HydrophobicContact CD1-CE 4.04Å; I642-M669 HydrophobicContact CG1-CE 4.17Å; I642-M669 HydrophobicContact CG2-CE 3.74Å; G643-M669 PolarHBondContact N-O 2.89Å; M669-Q674 HydrophobicContact CG-CG 4.15Å; M669-Q674 HydrophobicContact SD-CG 4.34Å; M669-E677 WeakPolarHBondContact CE-O 3.11Å; M669-A680 HydrophobicContact SD-CB 3.9Å; M669-G681 VanDerWaalsContact SD-CA 3.57Å; M669-G681 PolarHBondContact SD-N 2.88Å; M669-G681 VanDerWaalsContact SD-N 3.37Å
670I97.8Very high96.2Very high31 Ų3168 Ų6816%0.15935%0.345CS..EExtended strand (participates in β ladder)trans-117.7113.1172.7-60.2172.3000107.5G643 V651 Q672 Q673G643-I670 WeakPolarHBondContact O-CA 3.32Å; V651-I670 HydrophobicContact CB-CD1 4.06Å; V651-I670 HydrophobicContact CB-CG1 3.96Å; V651-I670 HydrophobicContact CG1-CD1 4.42Å; V651-I670 HydrophobicContact CG1-CG1 4.34Å; V651-I670 HydrophobicContact CG2-CG1 3.88Å; I670-Q672 PolarHBondContact O-N 2.86Å; I670-Q673 HydrophobicContact CB-CB 4.33Å; I670-Q673 HydrophobicContact CB-CG 4.07Å; I670-Q673 HydrophobicContact CG2-CB 4.46Å; I670-Q673 HydrophobicContact CG2-CG 3.85Å; I670-Q673 PolarHBondContact O-N 3.34Å
671C96.7Very high96.5Very high7 Ų760.2 Ų60.25%0.04730%0.303CS..G310 helixtrans-58.7-43.2-172.1-63.50000112.8I642 G643 L644 Q673 Q674 E677I642-C671 VanDerWaalsContact CG2-SG 3.57Å; G643-C671 PolarHBondContact O-N 2.97Å; L644-C671 HydrophobicContact CD1-CB 4.42Å; C671-Q673 PolarHBondContact O-N 2.91Å; C671-Q674 PolarHBondContact O-N 3.48Å; C671-E677 HydrophobicContact CB-CB 4.01Å; C671-E677 HydrophobicContact CB-CG 4.23Å
672Q95.5Very high96.8Very high125 Ų12557.7 Ų57.758%0.58429%0.29SS*.G310 helixtrans-67-5.7179.9-73.3-179.1-1.500114.6L644 I670L644-Q672 HydrophobicContact CD1-CG 4.12Å; L644-Q672 HydrophobicContact CG-CG 4.48Å; L644-Q672 VanDerWaalsContact O-CB 3.31Å; L644-Q672 WeakPolarHBondContact O-CB 3.19Å; L644-Q672 VanDerWaalsContact O-CG 3.24Å; L644-Q672 WeakPolarHBondContact O-CG 3.35Å; L644-Q672 PolarHBondContact O-N 3.37Å; I670-Q672 PolarHBondContact O-N 2.86Å
673Q95.9Very high96.9Very high139 Ų13960.8 Ų60.865%0.6530%0.303SS*.G310 helixtrans-101.20.7175.3-62.4179.9-2.800112.8I670 C671I670-Q673 HydrophobicContact CB-CB 4.33Å; I670-Q673 HydrophobicContact CB-CG 4.07Å; I670-Q673 HydrophobicContact CG2-CB 4.46Å; I670-Q673 HydrophobicContact CG2-CG 3.85Å; I670-Q673 PolarHBondContact O-N 3.34Å; C671-Q673 PolarHBondContact O-N 2.91Å
674Q95.4Very high97.1Very high69 Ų6958.3 Ų58.332%0.32228%0.283SS..  trans-108.6141.4179.2-53.2-54.9-42.400110.1M669 C671 E677 A680M669-Q674 HydrophobicContact CG-CG 4.15Å; M669-Q674 HydrophobicContact SD-CG 4.34Å; C671-Q674 PolarHBondContact O-N 3.48Å; Q674-E677 HydrophobicContact CB-CB 4.07Å; Q674-E677 HydrophobicContact CG-CB 4.46Å; Q674-A680 HydrophobicContact CB-CB 4.27Å; Q674-A680 HydrophobicContact CG-CB 3.84Å
675D93.3Very high97.2Very high181 Ų18152.4 Ų52.497%0.96826%0.256SS*.SBendtrans-72.3-35.8171-68.9-40.4000111.4
676D96.5Very high97.3Very high77 Ų7752.8 Ų52.841%0.41226%0.259SS..SBendtrans-135.397.2170-173.4-31.8000108.7I678 E679 A680D676-I678 PolarHBondContact O-N 3.11Å; D676-I678 WeakPolarHBondContact OD1-CB 3.45Å; D676-I678 PolarHBondContact OD1-N 3.32Å; D676-E679 HydrophobicContact CB-CB 4.22Å; D676-E679 HydrophobicContact CB-CG 4.31Å; D676-E679 PolarHBondContact O-N 3.06Å; D676-E679 PolarHBondContact OD1-N 3.26Å; D676-E679 WeakPolarHBondContact OD2-CG 3.47Å; D676-A680 WeakPolarHBondContact O-CB 3.5Å; D676-A680 PolarHBondContact O-N 3.37Å; D676-A680 VanDerWaalsContact O-N 3.11Å
677E96.9Very high97.3Very high54 Ų5456 Ų5625%0.25227%0.274SS..Hα-helixtrans-66.8-21-178.468.5-78.2-176.600113.6I583 M669 C671 Q674 G681I583-E677 HydrophobicContact CD1-CG 4.26Å; I583-E677 HydrophobicContact CG2-CG 3.64Å; M669-E677 WeakPolarHBondContact CE-O 3.11Å; C671-E677 HydrophobicContact CB-CB 4.01Å; C671-E677 HydrophobicContact CB-CG 4.23Å; Q674-E677 HydrophobicContact CB-CB 4.07Å; Q674-E677 HydrophobicContact CG-CB 4.46Å; E677-G681 PolarHBondContact O-N 2.69Å
678I96.1Very high97.3Very high34 Ų3454.7 Ų54.717%0.17427%0.267CS..Hα-helixtrans-76.9-48.2178.5-60.2172.3000109.5Q586 I587 D676 G681 I682Q586-I678 HydrophobicContact CB-CD1 4.37Å; I587-I678 HydrophobicContact CG1-CB 4.41Å; I587-I678 HydrophobicContact CG1-CG2 4.22Å; D676-I678 PolarHBondContact O-N 3.11Å; D676-I678 WeakPolarHBondContact OD1-CB 3.45Å; D676-I678 PolarHBondContact OD1-N 3.32Å; I678-G681 PolarHBondContact O-N 3.13Å; I678-I682 HydrophobicContact CG2-CD1 3.87Å; I678-I682 WeakPolarHBondContact O-CD1 3.42Å; I678-I682 VanDerWaalsContact O-CG1 3.26Å; I678-I682 WeakPolarHBondContact O-CG1 3.38Å; I678-I682 PolarHBondContact O-N 3.47Å
679E97.7Very high97.3Very high83 Ų8353.6 Ų53.639%0.38826%0.262SS..Hα-helixtrans-60.8-47.2175.3-71.3-66.7166.200111.4R590 D676 G681 I682 E683R590-E679 IonicContact CZ-OE1 2.63Å; R590-E679 IonicContact CZ-OE2 3.09Å; R590-E679 VanDerWaalsContact NH1-CD 3.32Å; R590-E679 IonicContact NH1-OE1 3.13Å; R590-E679 PolarHBondContact NH1-OE1 2.87Å; R590-E679 IonicContact NH1-OE2 2.77Å; R590-E679 IonicContact NH2-OE1 3.91Å; R590-E679 PolarHBondContact NH2-OE1 2.63Å; R590-E679 IonicContact NH2-OE2 3.73Å; R590-E679 PolarHBondContact NH2-OE2 3.08Å; D676-E679 HydrophobicContact CB-CB 4.22Å; D676-E679 HydrophobicContact CB-CG 4.31Å; D676-E679 PolarHBondContact O-N 3.06Å; D676-E679 PolarHBondContact OD1-N 3.26Å; D676-E679 WeakPolarHBondContact OD2-CG 3.47Å; E679-G681 VanDerWaalsContact C-N 3.31Å; E679-G681 PolarHBondContact O-N 3.46Å; E679-I682 PolarHBondContact O-N 2.64Å; E679-I682 VanDerWaalsContact O-N 3.17Å; E679-E683 PolarHBondContact O-N 2.88Å
680A98.3Very high97.3Very high11 Ų1157.6 Ų57.69%0.09128%0.284CS..Hα-helixtrans-59.7-42.1177.200000111.9M669 Q674 D676 I682 E683 H684M669-A680 HydrophobicContact SD-CB 3.9Å; Q674-A680 HydrophobicContact CB-CB 4.27Å; Q674-A680 HydrophobicContact CG-CB 3.84Å; D676-A680 WeakPolarHBondContact O-CB 3.5Å; D676-A680 PolarHBondContact O-N 3.37Å; D676-A680 VanDerWaalsContact O-N 3.11Å; A680-I682 PolarHBondContact O-N 3.48Å; A680-E683 PolarHBondContact O-N 2.96Å; A680-H684 PolarHBondContact O-CD2 3.06Å; A680-H684 PolarHBondContact O-N 3.48Å; A680-H684 VanDerWaalsContact O-N 3.09Å
681G98.4Very high97.2Very high0 Ų058.1 Ų58.10%029%0.288CS..Hα-helixtrans-61-43175.700000112.6M669 E677 I678 E679 H684 L685M669-G681 VanDerWaalsContact SD-CA 3.57Å; M669-G681 PolarHBondContact SD-N 2.88Å; M669-G681 VanDerWaalsContact SD-N 3.37Å; E677-G681 PolarHBondContact O-N 2.69Å; I678-G681 PolarHBondContact O-N 3.13Å; E679-G681 VanDerWaalsContact C-N 3.31Å; E679-G681 PolarHBondContact O-N 3.46Å; G681-H684 PolarHBondContact O-N 3.02Å; G681-L685 WeakPolarHBondContact O-CG 3.39Å; G681-L685 PolarHBondContact O-N 3.23Å
682I98.3Very high97.2Very high4 Ų457.8 Ų57.82%0.02129%0.286CS..Hα-helixtrans-66.5-40.9178.4-70.1162.9000111.4I587 R590 E594 I678 E679 A680 H684 L685 H686I587-I682 HydrophobicContact CG2-CG1 4.24Å; R590-I682 HydrophobicContact CB-CD1 3.85Å; R590-I682 HydrophobicContact CG-CD1 3.53Å; R590-I682 VanDerWaalsContact CZ-CD1 3.5Å; R590-I682 VanDerWaalsContact NE-CD1 3.29Å; E594-I682 WeakPolarHBondContact OE2-CG2 3.2Å; I678-I682 HydrophobicContact CG2-CD1 3.87Å; I678-I682 WeakPolarHBondContact O-CD1 3.42Å; I678-I682 VanDerWaalsContact O-CG1 3.26Å; I678-I682 WeakPolarHBondContact O-CG1 3.38Å; I678-I682 PolarHBondContact O-N 3.47Å; E679-I682 PolarHBondContact O-N 2.64Å; E679-I682 VanDerWaalsContact O-N 3.17Å; A680-I682 PolarHBondContact O-N 3.48Å; I682-H684 PolarHBondContact O-N 2.66Å; I682-L685 PolarHBondContact O-N 3.37Å; I682-H686 PolarHBondContact O-CD2 2.99Å; I682-H686 VanDerWaalsContact O-CD2 3.28Å; I682-H686 PolarHBondContact O-N 3.02Å
683E98.4Very high97.2Very high119 Ų11957 Ų5756%0.55628%0.278SS*.Hα-helixtrans-58.9-48.1175.5-173.8-178.4174.500111.1E679 A680 L685 H686 Q687E679-E683 PolarHBondContact O-N 2.88Å; A680-E683 PolarHBondContact O-N 2.96Å; E683-L685 VanDerWaalsContact C-N 3.32Å; E683-L685 PolarHBondContact O-N 2.94Å; E683-H686 PolarHBondContact O-N 2.97Å; E683-Q687 WeakPolarHBondContact O-CG 3.38Å; E683-Q687 PolarHBondContact O-N 3.01Å; E683-Q687 PolarHBondContact OE1-NE2 2.83Å
684H98.7Very high97.2Very high43 Ų4355.7 Ų55.720%0.19928%0.275CS..Hα-helixtrans-58.9-42.8175.1-76.8-61.1000112L640 H667 A680 G681 I682 Q687 L688L640-H684 HydrophobicContact CD1-CB 3.92Å; L640-H684 HydrophobicContact CD2-CB 4.23Å; H667-H684 HydrophobicContact CB-CB 4.41Å; H667-H684 AromaticContact CG-ND1 3.8Å; H667-H684 AromaticContact ND1-CG 3.93Å; H667-H684 AromaticContact ND1-ND1 3.25Å; H667-H684 PolarHBondContact ND1-ND1 3.16Å; A680-H684 PolarHBondContact O-CD2 3.06Å; A680-H684 PolarHBondContact O-N 3.48Å; A680-H684 VanDerWaalsContact O-N 3.09Å; G681-H684 PolarHBondContact O-N 3.02Å; I682-H684 PolarHBondContact O-N 2.66Å; H684-Q687 PolarHBondContact O-N 2.9Å; H684-L688 VanDerWaalsContact O-CG 3.3Å; H684-L688 WeakPolarHBondContact O-CG 3.49Å; H684-L688 PolarHBondContact O-N 3.45Å
685L98.7Very high97.2Very high0 Ų054.1 Ų54.10%027%0.269CS..Hα-helixtrans-63.8-39.8178.1-70.4-171.2000112.8L571 I573 I587 F591 L640 G681 I682 E683 L688 Y689L571-L685 HydrophobicContact CD1-CD2 4.06Å; L571-L685 HydrophobicContact CD2-CD2 3.42Å; L571-L685 VanDerWaalsContact CD2-CD2 3.42Å; L571-L685 HydrophobicContact CG-CD2 4.41Å; I573-L685 HydrophobicContact CD1-CD1 3.9Å; I573-L685 HydrophobicContact CD1-CD2 4.31Å; I573-L685 HydrophobicContact CG1-CD2 4.13Å; I587-L685 HydrophobicContact CG2-CD1 3.51Å; I587-L685 HydrophobicContact CG2-CG 4.15Å; F591-L685 HydrophobicContact CB-CB 4.47Å; F591-L685 HydrophobicContact CB-CD1 3.6Å; F591-L685 HydrophobicContact CD1-CB 4.26Å; F591-L685 HydrophobicContact CD1-CD1 3.89Å; F591-L685 HydrophobicContact CD2-CB 3.47Å; F591-L685 VanDerWaalsContact CD2-CB 3.47Å; F591-L685 HydrophobicContact CD2-CD1 4.15Å; F591-L685 HydrophobicContact CD2-CG 4.48Å; F591-L685 HydrophobicContact CE1-CB 4.43Å; F591-L685 HydrophobicContact CE2-CB 3.68Å; F591-L685 HydrophobicContact CG-CB 3.79Å; F591-L685 HydrophobicContact CG-CD1 3.59Å; F591-L685 HydrophobicContact CG-CG 4.36Å; F591-L685 HydrophobicContact CZ-CB 4.17Å; L640-L685 HydrophobicContact CB-CD2 3.93Å; L640-L685 HydrophobicContact CD2-CD2 3.67Å; L640-L685 HydrophobicContact CD2-CG 3.95Å; L640-L685 HydrophobicContact CG-CD2 4.46Å; G681-L685 WeakPolarHBondContact O-CG 3.39Å; G681-L685 PolarHBondContact O-N 3.23Å; I682-L685 PolarHBondContact O-N 3.37Å; E683-L685 VanDerWaalsContact C-N 3.32Å; E683-L685 PolarHBondContact O-N 2.94Å; L685-L688 PolarHBondContact O-N 3.17Å; L685-Y689 WeakPolarHBondContact O-CB 3.27Å; L685-Y689 PolarHBondContact O-N 3.09Å
686H98.6Very high97.3Very high55 Ų5553.3 Ų53.326%0.25526%0.257SS..Hα-helixtrans-63.9-41.4174.7-82.6-69.4000112.1F591 E594 I682 E683 Y689 N690F591-H686 AromaticContact CE2-CG 3.96Å; F591-H686 AromaticContact CE2-ND1 3.82Å; E594-H686 IonicContact OE2-CD2 2.72Å; E594-H686 IonicContact OE2-CE1 3.13Å; E594-H686 IonicContact OE2-NE2 3.02Å; E594-H686 PolarHBondContact OE2-NE2 3.2Å; I682-H686 PolarHBondContact O-CD2 2.99Å; I682-H686 VanDerWaalsContact O-CD2 3.28Å; I682-H686 PolarHBondContact O-N 3.02Å; E683-H686 PolarHBondContact O-N 2.97Å; H686-Y689 PolarHBondContact O-N 3.07Å; H686-N690 WeakPolarHBondContact O-CB 3.37Å; H686-N690 PolarHBondContact O-N 3.33Å; H686-N690 PolarHBondContact O-ND2 3.26Å
687Q98.6Very high97.4Very high81 Ų8152.3 Ų52.338%0.37925%0.247SC..Hα-helixtrans-61.4-49.7176.5-68.3171.67.500111.3H667 E683 H684 Y689 N690 V691H667-Q687 PolarHBondContact CE1-OE1 3.42Å; E683-Q687 WeakPolarHBondContact O-CG 3.38Å; E683-Q687 PolarHBondContact O-N 3.01Å; E683-Q687 PolarHBondContact OE1-NE2 2.83Å; H684-Q687 PolarHBondContact O-N 2.9Å; Q687-Y689 PolarHBondContact O-N 3.5Å; Q687-N690 PolarHBondContact O-N 2.83Å; Q687-V691 PolarHBondContact O-N 2.84Å
688L98.7Very high97.4Very high0 Ų054.1 Ų54.10%026%0.256CS..Hα-helixtrans-59.9-47177-70.9177.9000112.2L571 A638 V639 L640 R665 H667 H684 L685 N690 V691 M692L571-L688 HydrophobicContact CD1-CB 4.2Å; A638-L688 HydrophobicContact CB-CB 3.88Å; A638-L688 HydrophobicContact CB-CD1 4.47Å; A638-L688 HydrophobicContact CB-CD2 4.12Å; A638-L688 HydrophobicContact CB-CG 4.37Å; V639-L688 WeakPolarHBondContact O-CD1 3.15Å; L640-L688 HydrophobicContact CB-CD1 3.91Å; R665-L688 WeakPolarHBondContact O-CD2 3.42Å; H667-L688 HydrophobicContact CB-CD1 4.15Å; H667-L688 HydrophobicContact CB-CD2 4.21Å; H667-L688 HydrophobicContact CB-CG 4.33Å; H684-L688 VanDerWaalsContact O-CG 3.3Å; H684-L688 WeakPolarHBondContact O-CG 3.49Å; H684-L688 PolarHBondContact O-N 3.45Å; L685-L688 PolarHBondContact O-N 3.17Å; L688-N690 VanDerWaalsContact C-N 3.35Å; L688-N690 PolarHBondContact O-N 2.82Å; L688-V691 PolarHBondContact O-N 2.96Å; L688-M692 WeakPolarHBondContact O-CG 3.43Å; L688-M692 PolarHBondContact O-N 3.32Å; L688-M692 VanDerWaalsContact O-N 3.11Å
689Y98.5Very high97.5Very high10 Ų1057.1 Ų57.14%0.03928%0.277CS..Hα-helixtrans-61.5-41.2179.8172.3-119.7000112.7F591 T595 A598 E599 T601 L685 H686 Q687 V691 M692 R693F591-Y689 HydrophobicContact CZ-CD1 4.05Å; F591-Y689 HydrophobicContact CZ-CD2 4.39Å; F591-Y689 AromaticContact CZ-CG 3.78Å; F591-Y689 HydrophobicContact CZ-CG 3.78Å; T595-Y689 HydrophobicContact CG2-CD1 4.05Å; T595-Y689 HydrophobicContact CG2-CE1 3.93Å; A598-Y689 HydrophobicContact CB-CD2 4.16Å; A598-Y689 HydrophobicContact CB-CE2 3.87Å; E599-Y689 PolarHBondContact N-OH 2.76Å; E599-Y689 PolarHBondContact O-OH 3.22Å; T601-Y689 HydrophobicContact CG2-CD2 3.93Å; T601-Y689 HydrophobicContact CG2-CE2 3.78Å; L685-Y689 WeakPolarHBondContact O-CB 3.27Å; L685-Y689 PolarHBondContact O-N 3.09Å; H686-Y689 PolarHBondContact O-N 3.07Å; Q687-Y689 PolarHBondContact O-N 3.5Å; Y689-V691 PolarHBondContact O-N 3.38Å; Y689-M692 PolarHBondContact O-N 3.01Å; Y689-R693 HydrophobicContact CD2-CB 4.12Å; Y689-R693 HydrophobicContact CE2-CB 3.84Å; Y689-R693 VanDerWaalsContact O-CB 3.22Å; Y689-R693 WeakPolarHBondContact O-CB 3.48Å; Y689-R693 WeakPolarHBondContact O-CG 3.31Å; Y689-R693 PolarHBondContact O-N 2.62Å
690N97.3Very high97.6Very high86 Ų8653.6 Ų53.646%0.4626%0.264SS..Hα-helixtrans-61.8-27.7178.5-76.1-31.3000113.1H686 Q687 L688 N694H686-N690 WeakPolarHBondContact O-CB 3.37Å; H686-N690 PolarHBondContact O-N 3.33Å; H686-N690 PolarHBondContact O-ND2 3.26Å; Q687-N690 PolarHBondContact O-N 2.83Å; L688-N690 VanDerWaalsContact C-N 3.35Å; L688-N690 PolarHBondContact O-N 2.82Å; N690-N694 PolarHBondContact O-ND2 3.05Å
691V95.8Very high97.6Very high42 Ų4256.8 Ų56.826%0.25528%0.275SS..Hα-helixtrans-77.8-59.4173.8178.40000110.1E664 R665 Q687 L688 Y689 R693E664-V691 HydrophobicContact CB-CG1 4.32Å; E664-V691 HydrophobicContact CB-CG2 4.24Å; R665-V691 HydrophobicContact CG-CG1 4.05Å; Q687-V691 PolarHBondContact O-N 2.84Å; L688-V691 PolarHBondContact O-N 2.96Å; Y689-V691 PolarHBondContact O-N 3.38Å; V691-R693 PolarHBondContact O-N 2.81Å
692M96Very high97.6Very high0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-70.8-24.7-169.568.3176.2-6700115.1N569 E570 L571 T601 A638 L688 Y689 N694 D695N569-M692 PolarHBondContact ND2-O 3.26Å; N569-M692 VanDerWaalsContact O-CE 3.23Å; N569-M692 WeakPolarHBondContact O-CE 3.5Å; E570-M692 VanDerWaalsContact C-CE 3.45Å; L571-M692 HydrophobicContact CB-CE 4.21Å; L571-M692 HydrophobicContact CB-SD 3.66Å; L571-M692 HydrophobicContact CD1-SD 4Å; L571-M692 HydrophobicContact CG-SD 3.92Å; T601-M692 HydrophobicContact CG2-CE 3.76Å; T601-M692 HydrophobicContact CG2-CG 4.25Å; T601-M692 HydrophobicContact CG2-SD 4.33Å; A638-M692 HydrophobicContact CB-CB 4.32Å; A638-M692 HydrophobicContact CB-CG 4.31Å; A638-M692 HydrophobicContact CB-SD 3.64Å; L688-M692 WeakPolarHBondContact O-CG 3.43Å; L688-M692 PolarHBondContact O-N 3.32Å; L688-M692 VanDerWaalsContact O-N 3.11Å; Y689-M692 PolarHBondContact O-N 3.01Å; M692-N694 PolarHBondContact O-N 3.03Å; M692-N694 VanDerWaalsContact O-N 3.08Å; M692-D695 WeakPolarHBondContact O-CB 3.45Å; M692-D695 VanDerWaalsContact O-CG 3.24Å; M692-D695 PolarHBondContact O-N 3.27Å; M692-D695 VanDerWaalsContact O-N 3.08Å
693R95.7Very high97.6Very high109 Ų10957.6 Ų57.641%0.41128%0.282SS..THydrogen-bonded Turntrans-65-12.9-177.369.5-177.6-65.4-169.91.3114.3T601 Y689 V691T601-R693 HydrophobicContact CG2-CB 4.41Å; Y689-R693 HydrophobicContact CD2-CB 4.12Å; Y689-R693 HydrophobicContact CE2-CB 3.84Å; Y689-R693 VanDerWaalsContact O-CB 3.22Å; Y689-R693 WeakPolarHBondContact O-CB 3.48Å; Y689-R693 WeakPolarHBondContact O-CG 3.31Å; Y689-R693 PolarHBondContact O-N 2.62Å; V691-R693 PolarHBondContact O-N 2.81Å
694N94.8Very high97.6Very high111 Ų11155 Ų5559%0.59427%0.269SS*.THydrogen-bonded Turntrans-93-6.7179.2-58.3-60000112.6N690 M692N690-N694 PolarHBondContact O-ND2 3.05Å; M692-N694 PolarHBondContact O-N 3.03Å; M692-N694 VanDerWaalsContact O-N 3.08Å
695D96.8Very high97.6Very high36 Ų3652.9 Ų52.919%0.19326%0.26CS..  trans-64.9140178.3-62.7-13.9000110Y558 R560 N569 R665 M692Y558-D695 HydrophobicContact CD1-CB 3.97Å; Y558-D695 HydrophobicContact CE1-CB 4.25Å; R560-D695 IonicContact NH1-OD2 3.6Å; R560-D695 PolarHBondContact NH1-OD2 3.32Å; N569-D695 PolarHBondContact OD1-OD2 3.42Å; N569-D695 VanDerWaalsContact OD1-OD2 3.11Å; R665-D695 IonicContact CZ-OD1 3.62Å; R665-D695 IonicContact CZ-OD2 2.67Å; R665-D695 IonicContact NH1-OD1 3.58Å; R665-D695 IonicContact NH1-OD2 3.24Å; R665-D695 PolarHBondContact NH1-OD2 2.95Å; R665-D695 IonicContact NH2-OD1 2.66Å; R665-D695 PolarHBondContact NH2-OD1 3.31Å; R665-D695 IonicContact NH2-OD2 3.96Å; R665-D695 PolarHBondContact NH2-OD2 3.28Å; M692-D695 WeakPolarHBondContact O-CB 3.45Å; M692-D695 VanDerWaalsContact O-CG 3.24Å; M692-D695 PolarHBondContact O-N 3.27Å; M692-D695 VanDerWaalsContact O-N 3.08Å
696K95.9Very high97.6Very high164 Ų16455.2 Ų55.271%0.71327%0.27SS*.  trans-126.7149179.3-66.2179.5-176.9176.50109.4
697R97.3Very high97.6Very high57 Ų5752.6 Ų52.622%0.21526%0.258CS..  trans-68140.3169.4-64.1179.7177.7-91.5-3.1109.7Q556 I557 Y558 V567 D602 A918 G920Q556-R697 HydrophobicContact CB-CB 3.96Å; Q556-R697 PolarHBondContact O-NH1 3.35Å; I557-R697 CarbonylContact O-C 3.48Å; I557-R697 WeakPolarHBondContact O-CA 3.45Å; Y558-R697 HydrophobicContact CD1-CG 4.29Å; Y558-R697 HydrophobicContact CD2-CG 4.31Å; Y558-R697 HydrophobicContact CE1-CG 3.85Å; Y558-R697 HydrophobicContact CE2-CG 3.88Å; V567-R697 PolarHBondContact O-NH1 2.82Å; V567-R697 PolarHBondContact O-NH2 3.24Å; D602-R697 IonicContact OD1-NH2 3.42Å; D602-R697 IonicContact OD2-NH2 3.23Å; R697-A918 PolarHBondContact NH1-O 3.06Å; R697-G920 VanDerWaalsContact NH2-CA 3.3Å
698E97.8Very high97.6Very high91 Ų9148.7 Ų48.743%0.42524%0.239SC..EExtended strand (participates in β ladder)trans-123.3154.7178.1-64.3-178-173.200109.6Q556 I557 R559 G700Q556-E698 CarbonylContact C-O 3.5Å; Q556-E698 WeakPolarHBondContact CA-O 3.47Å; I557-E698 PolarHBondContact N-O 2.9Å; I557-E698 PolarHBondContact O-N 2.82Å; R559-E698 WeakPolarHBondContact CD-OE2 3.49Å; R559-E698 IonicContact NE-OE2 3.06Å; E698-G700 PolarHBondContact O-N 2.93Å
699P98.3Very high97.6Very high97 Ų9748.7 Ų48.763%0.6324%0.239SC*.EExtended strand (participates in β ladder)trans-57.8137173.2-24.134.4000112.9R559R559-P699 PolarHBondContact NH2-O 2.95Å
700G98.2Very high97.4Very high10 Ų1048.2 Ų48.210%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-153.8-173.1173.300000112V555 E698 E704V555-G700 PolarHBondContact N-O 3.48Å; V555-G700 PolarHBondContact O-N 2.84Å; E698-G700 PolarHBondContact O-N 2.93Å; G700-E704 WeakPolarHBondContact CA-OE1 3.41Å
701K98.6Very high97.1Very high77 Ų7744.1 Ų44.134%0.33522%0.216SC..EExtended strand (participates in β ladder)trans-117.8151-179.1-63.4-60.2-172-178.70111.9D552 R553 E554 V555 S703 E704D552-K701 VanDerWaalsContact OD2-CB 3.32Å; D552-K701 WeakPolarHBondContact OD2-CB 3.26Å; R553-K701 WeakPolarHBondContact O-CA 3.15Å; E554-K701 HydrophobicContact CG-CD 4.36Å; E554-K701 VanDerWaalsContact CG-NZ 3.35Å; E554-K701 IonicContact OE1-NZ 2.65Å; E554-K701 PolarHBondContact OE1-NZ 2.68Å; V555-K701 VanDerWaalsContact CG2-C 3.49Å; K701-S703 PolarHBondContact O-N 3.1Å; K701-E704 HydrophobicContact CB-CG 4.31Å; K701-E704 PolarHBondContact N-OE1 3.24Å; K701-E704 WeakPolarHBondContact O-CB 3.49Å; K701-E704 PolarHBondContact O-N 2.93Å; K701-E704 VanDerWaalsContact O-N 3.09Å
702L98.6Very high96.7Very high0 Ų042.3 Ų42.30%021%0.205CC..G310 helixtrans-64.6-33.4-177.8-170.570.2000111.4D552 R553 V555 E704 L705 F707 F729 Y732 I911 I914 V915D552-L702 WeakPolarHBondContact OD1-CB 3.3Å; D552-L702 PolarHBondContact OD1-N 2.7Å; R553-L702 HydrophobicContact CB-CB 4.22Å; R553-L702 HydrophobicContact CB-CD2 4.36Å; R553-L702 PolarHBondContact O-N 2.93Å; V555-L702 HydrophobicContact CG1-CB 4.32Å; V555-L702 HydrophobicContact CG1-CD1 3.85Å; L702-E704 PolarHBondContact O-N 2.98Å; L702-L705 HydrophobicContact CD1-CD1 4.07Å; L702-L705 WeakPolarHBondContact O-CB 3.44Å; L702-L705 PolarHBondContact O-N 3.47Å; L702-F707 HydrophobicContact CD1-CZ 3.86Å; L702-F707 HydrophobicContact CG-CZ 4.21Å; L702-F729 HydrophobicContact CD2-CE2 4.4Å; L702-Y732 HydrophobicContact CD2-CE1 4Å; L702-I911 HydrophobicContact CD2-CG2 4.31Å; L702-I914 HydrophobicContact CD1-CG2 4.02Å; L702-V915 HydrophobicContact CD1-CG2 4.44Å; L702-V915 HydrophobicContact CD2-CG2 4.39Å
703S98.3Very high96.4Very high22 Ų2243 Ų4315%0.15421%0.212CC..G310 helixtrans-61.1-20.3172.862.50000114.8D552 K701 L705 N736 G738D552-S703 PolarHBondContact OD1-N 2.71Å; D552-S703 WeakPolarHBondContact OD2-CB 3.16Å; D552-S703 PolarHBondContact OD2-OG 3.15Å; K701-S703 PolarHBondContact O-N 3.1Å; S703-L705 PolarHBondContact O-N 3.08Å; S703-N736 WeakPolarHBondContact CB-O 3.33Å; S703-N736 PolarHBondContact OG-O 2.93Å; S703-G738 WeakPolarHBondContact O-CA 3.46Å
704E98.3Very high96.3Very high63 Ų6338 Ų3829%0.29419%0.194SC..G310 helixtrans-70.2-16.8173.5-61.2-177.7-103.300111.7R559 V565 G700 K701 L702R559-E704 IonicContact CZ-OE2 3.74Å; R559-E704 IonicContact NH1-OE2 3.02Å; R559-E704 PolarHBondContact NH1-OE2 3.45Å; R559-E704 IonicContact NH2-OE1 3.85Å; R559-E704 PolarHBondContact NH2-OE1 3.37Å; R559-E704 VanDerWaalsContact NH2-OE1 3.08Å; R559-E704 IonicContact NH2-OE2 3.64Å; R559-E704 PolarHBondContact NH2-OE2 2.89Å; R559-E704 VanDerWaalsContact NH2-OE2 3.11Å; V565-E704 HydrophobicContact CG2-CB 4.24Å; G700-E704 WeakPolarHBondContact CA-OE1 3.41Å; K701-E704 HydrophobicContact CB-CG 4.31Å; K701-E704 PolarHBondContact N-OE1 3.24Å; K701-E704 WeakPolarHBondContact O-CB 3.49Å; K701-E704 PolarHBondContact O-N 2.93Å; K701-E704 VanDerWaalsContact O-N 3.09Å; L702-E704 PolarHBondContact O-N 2.98Å
705L98.6Very high96.3Very high0 Ų033.1 Ų33.10%017%0.168CC..SBendtrans-86.9161.8178.6-52.7-172.4000112I557 V565 V567 L702 S703 F707 A918I557-L705 HydrophobicContact CG2-CD2 4.13Å; V565-L705 HydrophobicContact CG2-CD2 4.12Å; V567-L705 HydrophobicContact CG1-CD1 3.58Å; V567-L705 HydrophobicContact CG1-CD2 3.66Å; V567-L705 HydrophobicContact CG1-CG 4.3Å; L702-L705 HydrophobicContact CD1-CD1 4.07Å; L702-L705 WeakPolarHBondContact O-CB 3.44Å; L702-L705 PolarHBondContact O-N 3.47Å; S703-L705 PolarHBondContact O-N 3.08Å; L705-F707 HydrophobicContact CB-CE1 4.5Å; L705-F707 HydrophobicContact CB-CE2 3.78Å; L705-F707 HydrophobicContact CB-CZ 3.69Å; L705-F707 HydrophobicContact CD1-CZ 4.11Å; L705-A918 HydrophobicContact CD1-CB 3.82Å
706K98.7Very high96.1Very high48 Ų4831.4 Ų31.421%0.20916%0.159CC..EExtended strand (participates in β ladder)trans-128.6122.6-174.3-59169.1-177.2172.60107.1T739 L828 C854 H855K706-T739 WeakPolarHBondContact CA-O 3.41Å; K706-T739 HydrophobicContact CG-CG2 4.36Å; K706-L828 HydrophobicContact CB-CD1 4.11Å; K706-L828 HydrophobicContact CD-CB 4.42Å; K706-L828 HydrophobicContact CD-CD1 3.83Å; K706-L828 HydrophobicContact CG-CD1 4.32Å; K706-C854 CarbonylContact O-C 3.55Å; K706-C854 WeakPolarHBondContact O-CA 3.25Å; K706-H855 PolarHBondContact N-ND1 3.42Å; K706-H855 PolarHBondContact O-N 3.45Å
707F98.8Very high96Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-114.4125-172.9-59.6-85.2000110.9L702 L705 F729 V733 T739 T740 V741 M856 L858 I914L702-F707 HydrophobicContact CD1-CZ 3.86Å; L702-F707 HydrophobicContact CG-CZ 4.21Å; L705-F707 HydrophobicContact CB-CE1 4.5Å; L705-F707 HydrophobicContact CB-CE2 3.78Å; L705-F707 HydrophobicContact CB-CZ 3.69Å; L705-F707 HydrophobicContact CD1-CZ 4.11Å; F707-F729 HydrophobicContact CB-CE1 4.38Å; F707-F729 HydrophobicContact CD1-CE1 4.2Å; F707-F729 HydrophobicContact CD1-CZ 4.34Å; F707-F729 AromaticContact CD2-CE1 3.93Å; F707-F729 HydrophobicContact CD2-CE1 3.93Å; F707-F729 HydrophobicContact CD2-CZ 4.17Å; F707-F729 HydrophobicContact CE1-CZ 4.2Å; F707-F729 HydrophobicContact CE2-CE1 4.26Å; F707-F729 HydrophobicContact CE2-CZ 4.02Å; F707-F729 AromaticContact CG-CE1 3.9Å; F707-F729 HydrophobicContact CG-CE1 3.9Å; F707-F729 HydrophobicContact CG-CZ 4.33Å; F707-F729 HydrophobicContact CZ-CZ 4.04Å; F707-V733 HydrophobicContact CD2-CG1 4.2Å; F707-V733 HydrophobicContact CD2-CG2 4.29Å; F707-V733 HydrophobicContact CE2-CG1 4.24Å; F707-V733 HydrophobicContact CE2-CG2 4.12Å; F707-T739 PolarHBondContact N-O 2.99Å; F707-T740 HydrophobicContact CB-CG2 4.35Å; F707-T740 CarbonylContact O-C 3.49Å; F707-T740 VanDerWaalsContact O-CA 3.27Å; F707-T740 WeakPolarHBondContact O-CA 2.97Å; F707-V741 PolarHBondContact O-N 3.3Å; F707-M856 HydrophobicContact CD1-CB 4.21Å; F707-M856 HydrophobicContact CE1-CB 4.48Å; F707-M856 HydrophobicContact CE1-SD 4.22Å; F707-L858 HydrophobicContact CB-CD1 4.15Å; F707-L858 HydrophobicContact CB-CG 4.37Å; F707-L858 HydrophobicContact CD1-CD1 4.24Å; F707-L858 HydrophobicContact CD1-CD2 4.27Å; F707-L858 HydrophobicContact CD1-CG 4.3Å; F707-L858 HydrophobicContact CG-CD1 4.41Å; F707-I914 HydrophobicContact CE1-CG2 3.59Å; F707-I914 HydrophobicContact CZ-CG2 3.92Å
708G98.7Very high95.9Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-84.7142169.500000111C854 M856 V857 L858G708-C854 PolarHBondContact N-SG 3.42Å; G708-M856 PolarHBondContact N-O 3Å; G708-V857 CarbonylContact O-C 3.6Å; G708-V857 WeakPolarHBondContact O-CA 3.21Å; G708-L858 PolarHBondContact O-N 3.09Å
709L98.4Very high95.6Very high0 Ų016.9 Ų16.90%010%0.098CC..EExtended strand (participates in β ladder)trans-112.8118.3-179.3-55.2171.2000109.2L726 V741 L742 K812 L858L709-L726 HydrophobicContact CD2-CD2 4.44Å; L709-V741 WeakPolarHBondContact CB-O 3.1Å; L709-V741 PolarHBondContact N-O 3Å; L709-L742 HydrophobicContact CB-CD1 4.19Å; L709-L742 HydrophobicContact CD1-CB 4.46Å; L709-K812 HydrophobicContact CB-CB 4.38Å; L709-K812 HydrophobicContact CB-CD 4.33Å; L709-K812 HydrophobicContact CD1-CB 4.13Å; L709-K812 VanDerWaalsContact CD1-O 3.28Å; L709-K812 WeakPolarHBondContact CD1-O 3.23Å; L709-L858 HydrophobicContact CD2-CB 4.33Å; L709-L858 HydrophobicContact CD2-CD1 4.14Å
710E95.4Very high95Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans-129.2148.8-177.7-72.9-66.2174.400111.9T743 E744 A845 T846 L849 V857 L858 F859 S860E710-T743 VanDerWaalsContact CD-CG2 3.48Å; E710-T743 WeakPolarHBondContact OE1-CG2 3.23Å; E710-E744 WeakPolarHBondContact OE2-CG 3.22Å; E710-A845 VanDerWaalsContact CD-CB 3.46Å; E710-A845 WeakPolarHBondContact OE1-CA 3.48Å; E710-A845 WeakPolarHBondContact OE1-CB 3.49Å; E710-A845 VanDerWaalsContact OE1-O 3.09Å; E710-A845 VanDerWaalsContact OE2-CB 3.26Å; E710-A845 WeakPolarHBondContact OE2-CB 3.46Å; E710-T846 PolarHBondContact OE1-N 3.05Å; E710-T846 VanDerWaalsContact OE1-N 3.08Å; E710-L849 VanDerWaalsContact CD-CD1 3.43Å; E710-L849 HydrophobicContact CG-CD1 3.33Å; E710-L849 WeakPolarHBondContact OE1-CD1 3.42Å; E710-V857 HydrophobicContact CB-CG1 3.86Å; E710-V857 HydrophobicContact CG-CG1 3.38Å; E710-L858 PolarHBondContact N-O 3.36Å; E710-F859 HydrophobicContact CB-CD2 3.6Å; E710-F859 HydrophobicContact CB-CE2 4.03Å; E710-F859 HydrophobicContact CB-CG 4.21Å; E710-F859 HydrophobicContact CG-CD2 4.29Å; E710-F859 WeakPolarHBondContact O-CA 3.38Å; E710-S860 PolarHBondContact O-N 3.09Å
711C89.4Confident94.8Very high0 Ų014.5 Ų14.50%08%0.077CC..EExtended strand (participates in β ladder)trans-103145.5161.4-80.10000111E744 K812 S860C711-E744 WeakPolarHBondContact CB-OE1 3.26Å; C711-E744 WeakPolarHBondContact CB-OE2 3.49Å; C711-E744 PolarHBondContact N-OE2 3.15Å; C711-K812 PolarHBondContact SG-NZ 2.85Å; C711-S860 PolarHBondContact SG-OG 2.83Å
712G88.4Confident94.8Very high3 Ų310.9 Ų10.93%0.0316%0.061CC..  trans-103.2-140.3159.900000111.5S714 D842 F859 S860G712-S714 VanDerWaalsContact C-N 3.28Å; G712-S714 PolarHBondContact O-N 3.37Å; G712-S714 PolarHBondContact O-OG 3.16Å; G712-D842 WeakPolarHBondContact CA-OD2 3.3Å; G712-F859 VanDerWaalsContact CA-CZ 3.42Å; G712-F859 VanDerWaalsContact N-CE1 3.34Å; G712-S860 PolarHBondContact N-O 3Å
713G89.7Confident94.7Very high15 Ų1511 Ų1116%0.1556%0.061CC..SBendtrans-60.388.6171.300000111.8G862 R863 T865G713-G862 CarbonylContact O-C 3.26Å; G713-G862 WeakPolarHBondContact O-CA 3.26Å; G713-G862 PolarHBondContact O-N 3.05Å; G713-R863 WeakPolarHBondContact O-CB 3.32Å; G713-R863 WeakPolarHBondContact O-CG 3.39Å; G713-R863 PolarHBondContact O-N 2.82Å; G713-T865 PolarHBondContact N-OG1 3.09Å
714S93.9Very high94.4Very high4 Ų411.1 Ų11.13%0.0286%0.062CC..  trans-71.7148.5176.7-67.60000112G712 N794G712-S714 VanDerWaalsContact C-N 3.28Å; G712-S714 PolarHBondContact O-N 3.37Å; G712-S714 PolarHBondContact O-OG 3.16Å; S714-N794 PolarHBondContact N-ND2 2.95Å; S714-N794 WeakPolarHBondContact O-CA 3.32Å; S714-N794 PolarHBondContact O-ND2 3.5Å
715D94.9Very high94.4Very high9 Ų98.1 Ų8.15%0.0485%0.048CC..  trans-126.2175172.367.61.3000110.2L717 S718 G797 I799 G862 T878 N879D715-L717 PolarHBondContact O-N 2.96Å; D715-L717 PolarHBondContact OD1-N 2.95Å; D715-S718 PolarHBondContact N-OG 3.37Å; D715-S718 VanDerWaalsContact O-CB 3.27Å; D715-S718 WeakPolarHBondContact O-CB 3.45Å; D715-S718 PolarHBondContact O-N 3.44Å; D715-S718 PolarHBondContact O-OG 3.14Å; D715-S718 PolarHBondContact OD1-N 3.32Å; D715-S718 VanDerWaalsContact OD1-N 3.08Å; D715-S718 PolarHBondContact OD1-OG 3.33Å; D715-G797 WeakPolarHBondContact CB-O 3.43Å; D715-I799 WeakPolarHBondContact O-CD1 3.36Å; D715-G862 WeakPolarHBondContact OD2-CA 3.1Å; D715-T878 VanDerWaalsContact CG-OG1 3.29Å; D715-T878 PolarHBondContact OD1-OG1 2.91Å; D715-T878 PolarHBondContact OD2-OG1 3.33Å; D715-T878 VanDerWaalsContact OD2-OG1 3.11Å; D715-N879 PolarHBondContact OD2-ND2 2.76Å
716G91.8Very high94.4Very high0 Ų08.1 Ų8.10%05%0.048CC..THydrogen-bonded Turntrans-64.1-11.8-17800000115.2G488 G797G488-G716 WeakPolarHBondContact O-CA 3.35Å; G716-G797 PolarHBondContact N-O 3.43Å
717L94.1Very high94.3Very high0 Ų05.9 Ų5.90%04%0.039CC..THydrogen-bonded Turntrans-89.6-15.3175.4-58.6179.6000112.6V461 L463 R487 D715 G719 I720 T721 N879 I898V461-L717 HydrophobicContact CG1-CD2 4.21Å; L463-L717 HydrophobicContact CD2-CD2 3.86Å; R487-L717 HydrophobicContact CG-CD1 3.92Å; D715-L717 PolarHBondContact O-N 2.96Å; D715-L717 PolarHBondContact OD1-N 2.95Å; L717-G719 VanDerWaalsContact C-N 3.34Å; L717-G719 PolarHBondContact O-N 3.11Å; L717-I720 HydrophobicContact CD2-CD1 4.41Å; L717-I720 WeakPolarHBondContact O-CA 3.41Å; L717-I720 PolarHBondContact O-N 2.9Å; L717-T721 PolarHBondContact O-N 2.67Å; L717-T721 PolarHBondContact O-OG1 3.22Å; L717-T721 VanDerWaalsContact O-OG1 3.05Å; L717-N879 HydrophobicContact CD1-CB 3.84Å; L717-I898 HydrophobicContact CD1-CD1 4.26Å
718S95.7Very high94.1Very high3 Ų311 Ų112%0.0216%0.058CC..THydrogen-bonded Turntrans-58.5-44.6-175.1-55.70000112.3D715 I720 N723 T878D715-S718 PolarHBondContact N-OG 3.37Å; D715-S718 VanDerWaalsContact O-CB 3.27Å; D715-S718 WeakPolarHBondContact O-CB 3.45Å; D715-S718 PolarHBondContact O-N 3.44Å; D715-S718 PolarHBondContact O-OG 3.14Å; D715-S718 PolarHBondContact OD1-N 3.32Å; D715-S718 VanDerWaalsContact OD1-N 3.08Å; D715-S718 PolarHBondContact OD1-OG 3.33Å; S718-I720 PolarHBondContact O-N 2.97Å; S718-N723 VanDerWaalsContact O-CB 3.25Å; S718-N723 WeakPolarHBondContact O-CB 3.41Å; S718-N723 VanDerWaalsContact O-CG 3.26Å; S718-N723 PolarHBondContact O-N 2.75Å; S718-T878 VanDerWaalsContact OG-CG2 3.29Å; S718-T878 WeakPolarHBondContact OG-CG2 3.49Å
719G90.5Very high94.1Very high4 Ų411 Ų114%0.0416%0.058CC..THydrogen-bonded Turntrans-81.213.9174.400000115Y505 L717 Q811Y505-G719 WeakPolarHBondContact CE1-O 3.21Å; Y505-G719 VanDerWaalsContact OH-C 3.3Å; Y505-G719 WeakPolarHBondContact OH-CA 3.18Å; Y505-G719 PolarHBondContact OH-O 2.84Å; Y505-G719 VanDerWaalsContact OH-O 3.11Å; L717-G719 VanDerWaalsContact C-N 3.34Å; L717-G719 PolarHBondContact O-N 3.11Å; G719-Q811 PolarHBondContact O-NE2 3.05Å; G719-Q811 VanDerWaalsContact O-NE2 3.07Å; G719-Q811 PolarHBondContact O-OE1 3.1Å
720I85.5Confident94.1Very high57 Ų5711 Ų1129%0.2926%0.058SC..THydrogen-bonded Turntrans-118.9-32.8174.4-61.9172.5000109.8V461 Y505 L717 S718 P724V461-I720 HydrophobicContact CB-CD1 3.79Å; V461-I720 HydrophobicContact CG1-CD1 3.88Å; V461-I720 HydrophobicContact CG2-CD1 3.98Å; Y505-I720 HydrophobicContact CE1-CG1 4.43Å; L717-I720 HydrophobicContact CD2-CD1 4.41Å; L717-I720 WeakPolarHBondContact O-CA 3.41Å; L717-I720 PolarHBondContact O-N 2.9Å; S718-I720 PolarHBondContact O-N 2.97Å; I720-P724 WeakPolarHBondContact O-CG 3.35Å
721T94.7Very high94.2Very high0 Ų011 Ų110%06%0.058CC..THydrogen-bonded Turntrans-111.3-84.9-174.561.50000112.9L717 N723 M725 T878 A894 L897 I898L717-T721 PolarHBondContact O-N 2.67Å; L717-T721 PolarHBondContact O-OG1 3.22Å; L717-T721 VanDerWaalsContact O-OG1 3.05Å; T721-N723 PolarHBondContact O-N 3.06Å; T721-M725 WeakPolarHBondContact O-CB 3.47Å; T721-M725 PolarHBondContact O-N 3.2Å; T721-T878 VanDerWaalsContact OG1-CA 3.31Å; T721-T878 WeakPolarHBondContact OG1-CA 3.42Å; T721-T878 WeakPolarHBondContact OG1-CB 3.39Å; T721-T878 PolarHBondContact OG1-O 3.33Å; T721-A894 WeakPolarHBondContact CB-O 3.43Å; T721-L897 HydrophobicContact CG2-CB 4.18Å; T721-I898 HydrophobicContact CG2-CG2 3.69Å
722A97.9Very high94.6Very high0 Ų011.1 Ų11.10%06%0.058CC..Hα-helixtrans-66-42.7-168.100000112.9M725 L726 I876 T878 A894A722-M725 PolarHBondContact O-N 3.34Å; A722-L726 WeakPolarHBondContact O-CB 3.41Å; A722-L726 WeakPolarHBondContact O-CG 3.16Å; A722-L726 PolarHBondContact O-N 3.22Å; A722-I876 HydrophobicContact CB-CG2 3.86Å; A722-T878 HydrophobicContact CB-CG2 3.8Å; A722-A894 HydrophobicContact CB-CB 3.86Å
723N97.3Very high95.1Very high2 Ų211 Ų111%0.0116%0.057CC..Hα-helixtrans-68.3-48.9-174.6-62.7-3.2000112.6S718 T721 M725 L726 G727 G808 Q811 K812 S860S718-N723 VanDerWaalsContact O-CB 3.25Å; S718-N723 WeakPolarHBondContact O-CB 3.41Å; S718-N723 VanDerWaalsContact O-CG 3.26Å; S718-N723 PolarHBondContact O-N 2.75Å; T721-N723 PolarHBondContact O-N 3.06Å; N723-M725 VanDerWaalsContact C-N 3.3Å; N723-M725 PolarHBondContact O-N 3.04Å; N723-L726 WeakPolarHBondContact O-CB 3.25Å; N723-L726 PolarHBondContact O-N 3.48Å; N723-G727 PolarHBondContact O-N 3.1Å; N723-G808 VanDerWaalsContact CB-O 3.28Å; N723-G808 WeakPolarHBondContact CB-O 3.17Å; N723-G808 PolarHBondContact ND2-O 2.86Å; N723-Q811 HydrophobicContact CB-CB 4.28Å; N723-K812 HydrophobicContact CB-CG 3.77Å; N723-S860 WeakPolarHBondContact OD1-CB 3.32Å; N723-S860 PolarHBondContact OD1-OG 3.23Å
724P91.5Very high95.4Very high25 Ų2511.7 Ų11.716%0.1626%0.057CC..Hα-helixtrans-63.6-32.217314.8-24.7000113.5I720 G727 R728 Q811 M903I720-P724 WeakPolarHBondContact O-CG 3.35Å; P724-G727 PolarHBondContact O-N 3.03Å; P724-R728 WeakPolarHBondContact O-CG 3.49Å; P724-R728 PolarHBondContact O-N 3.49Å; P724-Q811 VanDerWaalsContact CG-OE1 3.29Å; P724-M903 HydrophobicContact CB-CE 4.26Å
725M97.5Very high95.5Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-64.2-42.1172.3-178.6-92.8-72.600111.7T721 A722 N723 G727 R728 F729 I876 F892 A894 M903 L906 F910T721-M725 WeakPolarHBondContact O-CB 3.47Å; T721-M725 PolarHBondContact O-N 3.2Å; A722-M725 PolarHBondContact O-N 3.34Å; N723-M725 VanDerWaalsContact C-N 3.3Å; N723-M725 PolarHBondContact O-N 3.04Å; M725-G727 VanDerWaalsContact C-N 3.31Å; M725-G727 PolarHBondContact O-N 2.92Å; M725-R728 PolarHBondContact O-N 3.3Å; M725-F729 PolarHBondContact O-N 3.45Å; M725-I876 HydrophobicContact CE-CG2 3.78Å; M725-F892 HydrophobicContact CE-CD1 3.81Å; M725-F892 HydrophobicContact CE-CE1 3.71Å; M725-A894 HydrophobicContact CE-CB 3.74Å; M725-M903 HydrophobicContact CB-CE 4.25Å; M725-M903 HydrophobicContact CB-SD 3.78Å; M725-M903 HydrophobicContact CG-SD 4.11Å; M725-L906 HydrophobicContact CG-CD2 4.21Å; M725-F910 HydrophobicContact CE-CB 4.39Å; M725-F910 HydrophobicContact CE-CD1 4.4Å; M725-F910 HydrophobicContact CE-CD2 3.93Å; M725-F910 HydrophobicContact CE-CE2 4.31Å; M725-F910 HydrophobicContact CE-CG 3.98Å; M725-F910 HydrophobicContact SD-CB 3.82Å; M725-F910 HydrophobicContact SD-CD1 3.41Å; M725-F910 WeakPolarHBondContact SD-CD1 3.15Å; M725-F910 HydrophobicContact SD-CD2 4Å; M725-F910 HydrophobicContact SD-CE1 3.92Å; M725-F910 HydrophobicContact SD-CE2 4.45Å; M725-F910 HydrophobicContact SD-CG 3.45Å; M725-F910 WeakPolarHBondContact SD-CG 3.42Å; M725-F910 HydrophobicContact SD-CZ 4.41Å
726L98.6Very high95.7Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-63.2-36.1171.9-75.2178.1000112.5L709 A722 N723 F729 S730 K812 L858 I876 F910L709-L726 HydrophobicContact CD2-CD2 4.44Å; A722-L726 WeakPolarHBondContact O-CB 3.41Å; A722-L726 WeakPolarHBondContact O-CG 3.16Å; A722-L726 PolarHBondContact O-N 3.22Å; N723-L726 WeakPolarHBondContact O-CB 3.25Å; N723-L726 PolarHBondContact O-N 3.48Å; L726-F729 PolarHBondContact O-N 2.86Å; L726-S730 WeakPolarHBondContact O-CB 3.16Å; L726-S730 PolarHBondContact O-N 3.47Å; L726-K812 HydrophobicContact CB-CB 4.37Å; L726-K812 HydrophobicContact CB-CG 4.2Å; L726-K812 HydrophobicContact CD1-CD 3.82Å; L726-K812 HydrophobicContact CD1-CG 4.18Å; L726-L858 HydrophobicContact CD2-CB 3.81Å; L726-L858 HydrophobicContact CD2-CD1 3.72Å; L726-L858 HydrophobicContact CD2-CG 4.4Å; L726-I876 HydrophobicContact CD1-CD1 4.09Å; L726-I876 HydrophobicContact CD2-CD1 3.63Å; L726-I876 HydrophobicContact CG-CD1 4.12Å; L726-F910 HydrophobicContact CD2-CE1 3.88Å; L726-F910 HydrophobicContact CD2-CZ 3.79Å
727G97.1Very high95.9Very high2 Ų218.3 Ų18.32%0.02111%0.111CC..Hα-helixtrans-59.4-45.9171.300000112.5N723 P724 M725 F729 S730 D731 Q811 K812 G814N723-G727 PolarHBondContact O-N 3.1Å; P724-G727 PolarHBondContact O-N 3.03Å; M725-G727 VanDerWaalsContact C-N 3.31Å; M725-G727 PolarHBondContact O-N 2.92Å; G727-F729 VanDerWaalsContact C-N 3.34Å; G727-F729 PolarHBondContact O-N 2.96Å; G727-S730 WeakPolarHBondContact O-CB 3.47Å; G727-S730 PolarHBondContact O-N 3.23Å; G727-D731 PolarHBondContact O-N 3.25Å; G727-Q811 WeakPolarHBondContact CA-O 3.4Å; G727-K812 WeakPolarHBondContact CA-O 3.43Å; G727-G814 WeakPolarHBondContact O-CA 3.5Å
728R95.7Very high96.1Very high106 Ų10618.3 Ų18.340%0.411%0.111SC..Hα-helixtrans-65.7-36.1175-63.4-59.7-174.5-168.9-0.7112.8P724 M725 Y732 M903 L907P724-R728 WeakPolarHBondContact O-CG 3.49Å; P724-R728 PolarHBondContact O-N 3.49Å; M725-R728 PolarHBondContact O-N 3.3Å; R728-Y732 WeakPolarHBondContact O-CB 3.46Å; R728-Y732 PolarHBondContact O-N 2.83Å; R728-M903 HydrophobicContact CG-CG 4.26Å; R728-L907 HydrophobicContact CB-CD1 4.14Å; R728-L907 HydrophobicContact CB-CD2 3.82Å
729F98.5Very high96.2Very high0 Ų018.5 Ų18.50%011%0.112CC..Hα-helixtrans-65.5-40.9172.6177.1-95.8000112L702 F707 M725 L726 G727 Y732 V733 L858 L907 F910 I911 I914L702-F729 HydrophobicContact CD2-CE2 4.4Å; F707-F729 HydrophobicContact CB-CE1 4.38Å; F707-F729 HydrophobicContact CD1-CE1 4.2Å; F707-F729 HydrophobicContact CD1-CZ 4.34Å; F707-F729 AromaticContact CD2-CE1 3.93Å; F707-F729 HydrophobicContact CD2-CE1 3.93Å; F707-F729 HydrophobicContact CD2-CZ 4.17Å; F707-F729 HydrophobicContact CE1-CZ 4.2Å; F707-F729 HydrophobicContact CE2-CE1 4.26Å; F707-F729 HydrophobicContact CE2-CZ 4.02Å; F707-F729 AromaticContact CG-CE1 3.9Å; F707-F729 HydrophobicContact CG-CE1 3.9Å; F707-F729 HydrophobicContact CG-CZ 4.33Å; F707-F729 HydrophobicContact CZ-CZ 4.04Å; M725-F729 PolarHBondContact O-N 3.45Å; L726-F729 PolarHBondContact O-N 2.86Å; G727-F729 VanDerWaalsContact C-N 3.34Å; G727-F729 PolarHBondContact O-N 2.96Å; F729-Y732 HydrophobicContact CD2-CD1 4.39Å; F729-Y732 HydrophobicContact CE2-CD1 4.49Å; F729-Y732 PolarHBondContact O-N 3.11Å; F729-V733 HydrophobicContact CD1-CG2 4.16Å; F729-V733 HydrophobicContact CD2-CG2 4.37Å; F729-V733 HydrophobicContact CE1-CG2 3.61Å; F729-V733 HydrophobicContact CE2-CG2 3.87Å; F729-V733 HydrophobicContact CZ-CG2 3.46Å; F729-V733 VanDerWaalsContact CZ-CG2 3.46Å; F729-V733 WeakPolarHBondContact O-CG2 3.3Å; F729-V733 PolarHBondContact O-N 3.05Å; F729-L858 HydrophobicContact CD1-CD1 3.62Å; F729-L858 HydrophobicContact CE1-CD1 3.47Å; F729-L858 VanDerWaalsContact CE1-CD1 3.47Å; F729-L858 HydrophobicContact CZ-CD1 4.34Å; F729-L907 HydrophobicContact CB-CD1 3.9Å; F729-F910 HydrophobicContact CB-CD1 4.1Å; F729-F910 HydrophobicContact CB-CE1 3.97Å; F729-F910 HydrophobicContact CD1-CE1 4.12Å; F729-F910 AromaticContact CD2-CD1 3.76Å; F729-F910 HydrophobicContact CD2-CD1 3.76Å; F729-F910 AromaticContact CD2-CE1 3.73Å; F729-F910 HydrophobicContact CD2-CE1 3.73Å; F729-F910 HydrophobicContact CE2-CD1 4.45Å; F729-F910 HydrophobicContact CE2-CE1 4.25Å; F729-F910 AromaticContact CG-CD1 4Å; F729-F910 HydrophobicContact CG-CD1 4Å; F729-F910 AromaticContact CG-CE1 3.65Å; F729-F910 HydrophobicContact CG-CE1 3.65Å; F729-I911 HydrophobicContact CD2-CG1 3.84Å; F729-I911 HydrophobicContact CE2-CG1 4.09Å; F729-I914 HydrophobicContact CE2-CB 4.48Å; F729-I914 HydrophobicContact CE2-CG1 4.21Å; F729-I914 HydrophobicContact CZ-CG1 4.31Å; F729-I914 HydrophobicContact CZ-CG2 4.19Å
730S98.2Very high96.6Very high0 Ų018.3 Ų18.30%011%0.11CC..Hα-helixtrans-57.1-51.3174.6-177.70000110.9L726 G727 Y732 V733 I734 T740 A813L726-S730 WeakPolarHBondContact O-CB 3.16Å; L726-S730 PolarHBondContact O-N 3.47Å; G727-S730 WeakPolarHBondContact O-CB 3.47Å; G727-S730 PolarHBondContact O-N 3.23Å; S730-Y732 VanDerWaalsContact C-N 3.35Å; S730-Y732 PolarHBondContact O-N 3.39Å; S730-V733 PolarHBondContact O-N 3.23Å; S730-I734 WeakPolarHBondContact O-CB 3.36Å; S730-I734 WeakPolarHBondContact O-CD1 3.43Å; S730-I734 VanDerWaalsContact O-CG1 3.27Å; S730-I734 WeakPolarHBondContact O-CG1 3.16Å; S730-I734 PolarHBondContact O-N 2.98Å; S730-T740 PolarHBondContact OG-OG1 2.66Å; S730-A813 PolarHBondContact OG-O 3.06Å; S730-A813 VanDerWaalsContact OG-O 3.13Å
731D97.6Very high97.2Very high1 Ų115.6 Ų15.61%0.00510%0.097CC..Hα-helixtrans-60-42.6176.9-67.8-23000112.4L546 G727 I734 A735 S815 S816L546-D731 HydrophobicContact CD1-CB 4.33Å; L546-D731 HydrophobicContact CD2-CB 4Å; G727-D731 PolarHBondContact O-N 3.25Å; D731-I734 PolarHBondContact O-N 2.72Å; D731-A735 WeakPolarHBondContact O-CB 3.41Å; D731-A735 PolarHBondContact O-N 2.6Å; D731-S815 VanDerWaalsContact CG-N 3.33Å; D731-S815 PolarHBondContact OD1-N 3.27Å; D731-S815 PolarHBondContact OD2-N 2.85Å; D731-S815 PolarHBondContact OD2-OG 2.94Å; D731-S816 WeakPolarHBondContact OD1-CB 3.11Å; D731-S816 PolarHBondContact OD1-N 2.94Å; D731-S816 PolarHBondContact OD1-OG 2.92Å
732Y98Very high97.4Very high2 Ų215.6 Ų15.61%0.00810%0.097CC..Hα-helixtrans-59.9-48.4176.4163.9-102.7000112.6Q549 A550 A551 D552 R553 L702 R728 F729 S730 N736 I911Q549-Y732 HydrophobicContact CB-CD2 4.29Å; A550-Y732 HydrophobicContact CB-CD2 4.35Å; A550-Y732 HydrophobicContact CB-CE2 3.95Å; A550-Y732 VanDerWaalsContact O-CE2 3.28Å; A550-Y732 WeakPolarHBondContact O-CE2 3.4Å; A551-Y732 PolarHBondContact O-OH 3.46Å; D552-Y732 WeakPolarHBondContact CA-OH 3.45Å; R553-Y732 WeakPolarHBondContact CG-OH 3.44Å; R553-Y732 PolarHBondContact N-OH 3.38Å; L702-Y732 HydrophobicContact CD2-CE1 4Å; R728-Y732 WeakPolarHBondContact O-CB 3.46Å; R728-Y732 PolarHBondContact O-N 2.83Å; F729-Y732 HydrophobicContact CD2-CD1 4.39Å; F729-Y732 HydrophobicContact CE2-CD1 4.49Å; F729-Y732 PolarHBondContact O-N 3.11Å; S730-Y732 VanDerWaalsContact C-N 3.35Å; S730-Y732 PolarHBondContact O-N 3.39Å; Y732-N736 WeakPolarHBondContact CE2-ND2 3.26Å; Y732-N736 PolarHBondContact O-N 2.93Å; Y732-N736 PolarHBondContact O-ND2 3.27Å; Y732-I911 HydrophobicContact CD1-CD1 3.59Å; Y732-I911 HydrophobicContact CD1-CG1 3.94Å; Y732-I911 HydrophobicContact CD2-CD1 4.13Å; Y732-I911 HydrophobicContact CE1-CD1 3.68Å; Y732-I911 HydrophobicContact CE1-CG1 3.92Å; Y732-I911 HydrophobicContact CE1-CG2 4.04Å; Y732-I911 HydrophobicContact CE2-CD1 4.22Å; Y732-I911 HydrophobicContact CG-CD1 3.84Å
733V98.2Very high97.3Very high1 Ų115.6 Ų15.61%0.00610%0.097CC..Hα-helixtrans-65-44-180169.60000110.4F707 F729 S730 N736 G737 G738 T740F707-V733 HydrophobicContact CD2-CG1 4.2Å; F707-V733 HydrophobicContact CD2-CG2 4.29Å; F707-V733 HydrophobicContact CE2-CG1 4.24Å; F707-V733 HydrophobicContact CE2-CG2 4.12Å; F729-V733 HydrophobicContact CD1-CG2 4.16Å; F729-V733 HydrophobicContact CD2-CG2 4.37Å; F729-V733 HydrophobicContact CE1-CG2 3.61Å; F729-V733 HydrophobicContact CE2-CG2 3.87Å; F729-V733 HydrophobicContact CZ-CG2 3.46Å; F729-V733 VanDerWaalsContact CZ-CG2 3.46Å; F729-V733 WeakPolarHBondContact O-CG2 3.3Å; F729-V733 PolarHBondContact O-N 3.05Å; S730-V733 PolarHBondContact O-N 3.23Å; V733-N736 CarbonylContact O-C 3.6Å; V733-N736 PolarHBondContact O-N 3.22Å; V733-G737 PolarHBondContact O-N 2.86Å; V733-G738 WeakPolarHBondContact O-CA 3.45Å; V733-G738 PolarHBondContact O-N 2.69Å; V733-T740 HydrophobicContact CB-CG2 4.49Å
734I97.2Very high96.9Very high30 Ų3015.5 Ų15.515%0.15410%0.096CC..Hα-helixtrans-68.3-40.9-178.4-68.9166.8000111.7S730 D731 N736 G737 S816 L833S730-I734 WeakPolarHBondContact O-CB 3.36Å; S730-I734 WeakPolarHBondContact O-CD1 3.43Å; S730-I734 VanDerWaalsContact O-CG1 3.27Å; S730-I734 WeakPolarHBondContact O-CG1 3.16Å; S730-I734 PolarHBondContact O-N 2.98Å; D731-I734 PolarHBondContact O-N 2.72Å; I734-N736 PolarHBondContact O-N 3.5Å; I734-G737 WeakPolarHBondContact O-CA 3.48Å; I734-G737 PolarHBondContact O-N 2.8Å; I734-S816 VanDerWaalsContact CD1-CB 3.48Å; I734-L833 HydrophobicContact CD1-CB 3.6Å
735A96.2Very high97Very high55 Ų5514.3 Ų14.346%0.4559%0.088SC..Hα-helixtrans-61.2-26.6175.900000112.7Q549 D731 G737Q549-A735 HydrophobicContact CB-CB 3.92Å; Q549-A735 HydrophobicContact CG-CB 3.45Å; Q549-A735 VanDerWaalsContact CG-CB 3.45Å; D731-A735 WeakPolarHBondContact O-CB 3.41Å; D731-A735 PolarHBondContact O-N 2.6Å; A735-G737 VanDerWaalsContact C-N 3.33Å
736N97.5Very high96.7Very high47 Ų4714.5 Ų14.525%0.2519%0.09SC..THydrogen-bonded Turntrans-90.38.9172.6-73.1-78.6000113.3A550 D552 S703 Y732 V733 I734A550-N736 PolarHBondContact O-ND2 3.12Å; A550-N736 VanDerWaalsContact O-ND2 3.11Å; D552-N736 HydrophobicContact CB-CB 3.98Å; D552-N736 WeakPolarHBondContact CB-OD1 3.42Å; D552-N736 PolarHBondContact N-OD1 2.66Å; S703-N736 WeakPolarHBondContact CB-O 3.33Å; S703-N736 PolarHBondContact OG-O 2.93Å; Y732-N736 WeakPolarHBondContact CE2-ND2 3.26Å; Y732-N736 PolarHBondContact O-N 2.93Å; Y732-N736 PolarHBondContact O-ND2 3.27Å; V733-N736 CarbonylContact O-C 3.6Å; V733-N736 PolarHBondContact O-N 3.22Å; I734-N736 PolarHBondContact O-N 3.5Å
737G96.6Very high96.4Very high49 Ų4914.6 Ų14.651%0.5059%0.09SC..THydrogen-bonded Turntrans89.811.1175.900000115.5V733 I734 A735V733-G737 PolarHBondContact O-N 2.86Å; I734-G737 WeakPolarHBondContact O-CA 3.48Å; I734-G737 PolarHBondContact O-N 2.8Å; A735-G737 VanDerWaalsContact C-N 3.33Å
738G97.8Very high96.2Very high0 Ų014.6 Ų14.60%09%0.089CC..  trans-88.8-166.9-177.700000115.2S703 V733 G832S703-G738 WeakPolarHBondContact O-CA 3.46Å; V733-G738 WeakPolarHBondContact O-CA 3.45Å; V733-G738 PolarHBondContact O-N 2.69Å; G738-G832 PolarHBondContact O-N 3.45Å
739T98.8Very high95.9Very high8 Ų89.7 Ų9.75%0.0497%0.071CC..EExtended strand (participates in β ladder)trans-134.5132.5-172.6-50.30000112.4K706 F707 V741 L828 P831K706-T739 WeakPolarHBondContact CA-O 3.41Å; K706-T739 HydrophobicContact CG-CG2 4.36Å; F707-T739 PolarHBondContact N-O 2.99Å; T739-V741 HydrophobicContact CG2-CG2 4.35Å; T739-L828 HydrophobicContact CG2-CD1 4.29Å; T739-L828 HydrophobicContact CG2-CD2 4.25Å; T739-P831 WeakPolarHBondContact OG1-CA 3.43Å
740T98.8Very high95.3Very high0 Ų011.3 Ų11.30%09%0.087CC..EExtended strand (participates in β ladder)trans-123.9155164.260.30000110.5F707 S730 V733 G832 N834F707-T740 HydrophobicContact CB-CG2 4.35Å; F707-T740 CarbonylContact O-C 3.49Å; F707-T740 VanDerWaalsContact O-CA 3.27Å; F707-T740 WeakPolarHBondContact O-CA 2.97Å; S730-T740 PolarHBondContact OG-OG1 2.66Å; V733-T740 HydrophobicContact CB-CG2 4.49Å; T740-G832 PolarHBondContact N-O 3Å; T740-N834 PolarHBondContact O-N 2.84Å
741V98.7Very high94.8Very high0 Ų011.4 Ų11.40%09%0.089CC..EExtended strand (participates in β ladder)trans-133.5116.6-178-167.60000110F707 L709 T739 L828 N834 L836 L849 C854F707-V741 PolarHBondContact O-N 3.3Å; L709-V741 WeakPolarHBondContact CB-O 3.1Å; L709-V741 PolarHBondContact N-O 3Å; T739-V741 HydrophobicContact CG2-CG2 4.35Å; V741-L828 HydrophobicContact CG2-CD1 3.67Å; V741-L828 HydrophobicContact CG2-CD2 3.54Å; V741-L828 HydrophobicContact CG2-CG 4.15Å; V741-N834 VanDerWaalsContact CA-O 3.27Å; V741-N834 WeakPolarHBondContact CA-O 3.18Å; V741-N834 HydrophobicContact CG1-CB 4.42Å; V741-N834 HydrophobicContact CG2-CB 4.33Å; V741-L836 HydrophobicContact CG1-CB 3.68Å; V741-L849 HydrophobicContact CB-CD2 3.75Å; V741-L849 HydrophobicContact CG1-CD2 3.63Å; V741-C854 VanDerWaalsContact CG2-SG 3.59Å
742L98.2Very high94.4Very high0 Ų011.7 Ų11.70%09%0.09CC..EExtended strand (participates in β ladder)trans-93.4137.3171.3-176.366.6000109.8L709 M748 L755 K812 A813 N834 L835 L836L709-L742 HydrophobicContact CB-CD1 4.19Å; L709-L742 HydrophobicContact CD1-CB 4.46Å; L742-M748 HydrophobicContact CD2-CE 4.27Å; L742-M748 HydrophobicContact CG-CE 4.15Å; L742-L755 HydrophobicContact CD2-CD1 4.13Å; L742-L755 HydrophobicContact CD2-CD2 4.19Å; L742-K812 HydrophobicContact CD1-CB 4.06Å; L742-A813 HydrophobicContact CD2-CB 4.12Å; L742-N834 PolarHBondContact N-O 3.21Å; L742-L835 HydrophobicContact CB-CD2 3.82Å; L742-L835 HydrophobicContact CD2-CD2 4.28Å; L742-L835 HydrophobicContact CG-CD2 4.45Å; L742-L835 CarbonylContact O-C 3.6Å; L742-L835 VanDerWaalsContact O-CA 3.31Å; L742-L835 WeakPolarHBondContact O-CA 3.44Å; L742-L836 PolarHBondContact O-N 3.36Å
743T95.2Very high93.8Very high0 Ų015 Ų150%011%0.105CC..  trans-129.8-153.1177.8-173.90000109.7E710 M748 L836 A838 A845 L849E710-T743 VanDerWaalsContact CD-CG2 3.48Å; E710-T743 WeakPolarHBondContact OE1-CG2 3.23Å; T743-M748 WeakPolarHBondContact O-CE 3.2Å; T743-L836 WeakPolarHBondContact CA-O 3.24Å; T743-L836 PolarHBondContact OG1-O 2.78Å; T743-L836 VanDerWaalsContact OG1-O 3.13Å; T743-A838 VanDerWaalsContact OG1-CB 3.29Å; T743-A838 WeakPolarHBondContact OG1-CB 3.2Å; T743-A845 HydrophobicContact CG2-CB 4.15Å; T743-L849 HydrophobicContact CG2-CD1 3.73Å; T743-L849 HydrophobicContact CG2-CD2 3.88Å; T743-L849 HydrophobicContact CG2-CG 3.78Å
744E89.9Confident93.1Very high0 Ų018 Ų180%012%0.121CC..  trans67.559.2-179.4-48.2177.887.200112E710 C711 P746 E747 K812 A845E710-E744 WeakPolarHBondContact OE2-CG 3.22Å; C711-E744 WeakPolarHBondContact CB-OE1 3.26Å; C711-E744 WeakPolarHBondContact CB-OE2 3.49Å; C711-E744 PolarHBondContact N-OE2 3.15Å; E744-P746 VanDerWaalsContact C-CD 3.43Å; E744-P746 VanDerWaalsContact C-N 3.34Å; E744-P746 VanDerWaalsContact O-N 3.16Å; E744-E747 HydrophobicContact CB-CB 4.14Å; E744-E747 HydrophobicContact CB-CG 4.15Å; E744-E747 WeakPolarHBondContact O-CA 3.44Å; E744-E747 WeakPolarHBondContact O-CB 3.33Å; E744-E747 PolarHBondContact O-N 3.02Å; E744-K812 IonicContact OE2-NZ 3.61Å; E744-K812 PolarHBondContact OE2-NZ 2.89Å; E744-A845 HydrophobicContact CG-CB 4.48Å
745V93.3Very high92.9Very high0 Ų016.7 Ų16.70%011%0.114CC..G310 helixtrans-51.6-41.7-173.1-176.40000114.2E747 M748 F749 M771 F775 A838V745-E747 PolarHBondContact O-N 3.49Å; V745-E747 VanDerWaalsContact O-N 3.14Å; V745-M748 WeakPolarHBondContact O-CB 3.26Å; V745-M748 PolarHBondContact O-N 3.29Å; V745-F749 HydrophobicContact CG1-CE1 4.17Å; V745-M771 HydrophobicContact CG1-CG 4.28Å; V745-M771 HydrophobicContact CG2-CE 4.15Å; V745-M771 HydrophobicContact CG2-CG 3.86Å; V745-M771 HydrophobicContact CG2-SD 3.77Å; V745-F775 HydrophobicContact CB-CB 4.22Å; V745-F775 HydrophobicContact CB-CD1 4.43Å; V745-F775 HydrophobicContact CB-CD2 3.59Å; V745-F775 HydrophobicContact CB-CE2 4.04Å; V745-F775 HydrophobicContact CB-CG 3.81Å; V745-F775 HydrophobicContact CG1-CB 3.59Å; V745-F775 HydrophobicContact CG1-CD2 3.7Å; V745-F775 HydrophobicContact CG1-CG 3.74Å; V745-F775 HydrophobicContact CG2-CD2 3.71Å; V745-F775 HydrophobicContact CG2-CE2 3.87Å; V745-F775 HydrophobicContact CG2-CG 4.43Å; V745-A838 PolarHBondContact N-O 3.37Å; V745-A838 VanDerWaalsContact N-O 3.08Å
746P91.4Very high92.7Very high4 Ų414 Ų143%0.0269%0.093CC..G310 helixtrans-60.4-23.3176.1-24.936.7000114.1E744 M748 F749 F775 F779E744-P746 VanDerWaalsContact C-CD 3.43Å; E744-P746 VanDerWaalsContact C-N 3.34Å; E744-P746 VanDerWaalsContact O-N 3.16Å; P746-M748 VanDerWaalsContact C-N 3.25Å; P746-F749 HydrophobicContact CB-CE2 4.22Å; P746-F775 HydrophobicContact CG-CD1 4.11Å; P746-F775 HydrophobicContact CG-CE1 4.32Å; P746-F779 HydrophobicContact CB-CE2 4.4Å; P746-F779 HydrophobicContact CB-CZ 4.39Å; P746-F779 HydrophobicContact CG-CE2 3.88Å; P746-F779 HydrophobicContact CG-CZ 4.12Å
747E91.4Very high92.2Very high2 Ų213.2 Ų13.21%0.0099%0.088CC..G310 helixtrans-91.116176.3-50.7-167.2-173.300112.7E744 V745 K805 S806 C809E744-E747 HydrophobicContact CB-CB 4.14Å; E744-E747 HydrophobicContact CB-CG 4.15Å; E744-E747 WeakPolarHBondContact O-CA 3.44Å; E744-E747 WeakPolarHBondContact O-CB 3.33Å; E744-E747 PolarHBondContact O-N 3.02Å; V745-E747 PolarHBondContact O-N 3.49Å; V745-E747 VanDerWaalsContact O-N 3.14Å; E747-K805 VanDerWaalsContact CD-CE 3.44Å; E747-K805 VanDerWaalsContact CD-NZ 3.27Å; E747-K805 HydrophobicContact CG-CD 4.35Å; E747-K805 VanDerWaalsContact OE1-CE 3.27Å; E747-K805 WeakPolarHBondContact OE1-CE 3.4Å; E747-K805 IonicContact OE1-NZ 3.61Å; E747-K805 PolarHBondContact OE1-NZ 2.96Å; E747-K805 WeakPolarHBondContact OE2-CE 3.39Å; E747-K805 IonicContact OE2-NZ 2.67Å; E747-K805 PolarHBondContact OE2-NZ 3.47Å; E747-S806 WeakPolarHBondContact O-CA 3.4Å; E747-S806 WeakPolarHBondContact O-CB 3.11Å; E747-S806 PolarHBondContact O-OG 3.3Å; E747-C809 HydrophobicContact CB-CB 4.09Å
748M92.6Very high91.9Very high1 Ų112 Ų121%0.0057%0.07CC..G310 helixtrans-99.5-20163.5-57.7177.8-177.500111L742 T743 V745 P746 G750 A751 E752 L755 M771 L835L742-M748 HydrophobicContact CD2-CE 4.27Å; L742-M748 HydrophobicContact CG-CE 4.15Å; T743-M748 WeakPolarHBondContact O-CE 3.2Å; V745-M748 WeakPolarHBondContact O-CB 3.26Å; V745-M748 PolarHBondContact O-N 3.29Å; P746-M748 VanDerWaalsContact C-N 3.25Å; M748-G750 PolarHBondContact O-N 3.41Å; M748-A751 CarbonylContact O-C 3.5Å; M748-A751 VanDerWaalsContact O-C 3.32Å; M748-A751 WeakPolarHBondContact O-CA 3.43Å; M748-A751 PolarHBondContact O-N 3.41Å; M748-E752 HydrophobicContact CB-CB 4.4Å; M748-E752 PolarHBondContact O-N 3.36Å; M748-L755 HydrophobicContact CB-CD1 4.48Å; M748-L755 HydrophobicContact CE-CD1 4.18Å; M748-L755 HydrophobicContact CG-CD1 3.94Å; M748-L755 HydrophobicContact SD-CD1 3.76Å; M748-M771 HydrophobicContact CE-CE 4.21Å; M748-M771 HydrophobicContact SD-CE 3.74Å; M748-L835 HydrophobicContact CE-CD2 4.42Å
749F90.4Very high91.9Very high3 Ų312 Ų121%0.0137%0.07CC..THydrogen-bonded Turntrans-63.2128.6-174.2-57.8-16.7000112.4L531 V745 P746 A751 E752 V772 F775 K776 I786 L802 S806L531-F749 HydrophobicContact CD1-CB 4.07Å; V745-F749 HydrophobicContact CG1-CE1 4.17Å; P746-F749 HydrophobicContact CB-CE2 4.22Å; F749-A751 VanDerWaalsContact C-N 3.29Å; F749-E752 WeakPolarHBondContact CA-OE2 3.47Å; F749-V772 HydrophobicContact CD1-CG1 4.06Å; F749-V772 HydrophobicContact CE1-CG1 3.92Å; F749-F775 HydrophobicContact CZ-CB 4.11Å; F749-K776 HydrophobicContact CD1-CG 4.32Å; F749-K776 HydrophobicContact CE1-CD 4.49Å; F749-K776 HydrophobicContact CE1-CG 3.73Å; F749-K776 HydrophobicContact CE2-CG 3.99Å; F749-K776 HydrophobicContact CZ-CB 4.44Å; F749-K776 HydrophobicContact CZ-CG 3.53Å; F749-I786 WeakPolarHBondContact CD2-O 3.3Å; F749-L802 HydrophobicContact CB-CD2 3.95Å; F749-L802 HydrophobicContact CB-CG 4.43Å; F749-L802 HydrophobicContact CD2-CD2 4.03Å; F749-S806 WeakPolarHBondContact O-CB 2.99Å; F749-S806 PolarHBondContact O-OG 2.84Å
750G84.7Confident91.7Very high34 Ų3417.3 Ų17.335%0.3519%0.089SC..THydrogen-bonded Turntrans85.2-9.5-17000000114.7M748 E752M748-G750 PolarHBondContact O-N 3.41Å; G750-E752 WeakPolarHBondContact CA-OE2 3.34Å; G750-E752 PolarHBondContact N-OE2 3.35Å
751A88Confident91.6Very high3 Ų319.5 Ų19.53%0.02510%0.1CC..THydrogen-bonded Turntrans-129.50-178.900000112.7M748 F749 Q753 L754 L807 T810M748-A751 CarbonylContact O-C 3.5Å; M748-A751 VanDerWaalsContact O-C 3.32Å; M748-A751 WeakPolarHBondContact O-CA 3.43Å; M748-A751 PolarHBondContact O-N 3.41Å; F749-A751 VanDerWaalsContact C-N 3.29Å; A751-Q753 PolarHBondContact O-N 2.81Å; A751-L754 HydrophobicContact CB-CD1 4.5Å; A751-L754 WeakPolarHBondContact O-CB 3.47Å; A751-L754 PolarHBondContact O-N 2.83Å; A751-L754 VanDerWaalsContact O-N 3.09Å; A751-L807 HydrophobicContact CB-CD2 3.8Å; A751-L807 HydrophobicContact CB-CG 4.18Å; A751-T810 HydrophobicContact CB-CG2 3.76Å
752E90.6Very high91.4Very high7 Ų725.4 Ų25.43%0.03313%0.128CC..Hα-helixtrans-63.2-29-173.462.6-89.7-141.500112.4Y537 M748 F749 G750 L754 L755 M756 V772 K776Y537-E752 HydrophobicContact CE1-CG 3.57Å; Y537-E752 PolarHBondContact OH-OE1 3.27Å; M748-E752 HydrophobicContact CB-CB 4.4Å; M748-E752 PolarHBondContact O-N 3.36Å; F749-E752 WeakPolarHBondContact CA-OE2 3.47Å; G750-E752 WeakPolarHBondContact CA-OE2 3.34Å; G750-E752 PolarHBondContact N-OE2 3.35Å; E752-L754 PolarHBondContact O-N 2.96Å; E752-L755 PolarHBondContact O-N 2.84Å; E752-M756 HydrophobicContact CB-CE 4.07Å; E752-M756 HydrophobicContact CG-CE 3.79Å; E752-M756 HydrophobicContact CG-SD 4.44Å; E752-M756 VanDerWaalsContact O-CG 3.31Å; E752-M756 WeakPolarHBondContact O-CG 3.43Å; E752-M756 PolarHBondContact O-N 2.88Å; E752-V772 HydrophobicContact CB-CG2 4.1Å; E752-V772 HydrophobicContact CG-CG1 4.33Å; E752-K776 IonicContact OE1-NZ 3.48Å; E752-K776 PolarHBondContact OE1-NZ 3.05Å
753Q85Confident91.4Very high70 Ų7028.5 Ų28.533%0.32715%0.154SC..Hα-helixtrans-57.2-39.7175.9-17065.547.500111A751 L755 M756 D757A751-Q753 PolarHBondContact O-N 2.81Å; Q753-L755 VanDerWaalsContact C-N 3.26Å; Q753-L755 PolarHBondContact O-N 2.89Å; Q753-M756 WeakPolarHBondContact O-CA 3.2Å; Q753-M756 WeakPolarHBondContact O-CB 3.28Å; Q753-M756 PolarHBondContact O-N 2.75Å; Q753-D757 PolarHBondContact NE2-OD1 2.93Å; Q753-D757 PolarHBondContact O-N 3.15Å
754L82.7Confident91.5Very high64 Ų6428.7 Ų28.734%0.33516%0.155SC..Hα-helixtrans-60-37.2177.7-60.3175.4000112.2L507 A751 E752 H758 L807L507-L754 HydrophobicContact CD1-CD1 3.94Å; L507-L754 HydrophobicContact CD1-CD2 4.08Å; L507-L754 HydrophobicContact CD1-CG 4.36Å; A751-L754 HydrophobicContact CB-CD1 4.5Å; A751-L754 WeakPolarHBondContact O-CB 3.47Å; A751-L754 PolarHBondContact O-N 2.83Å; A751-L754 VanDerWaalsContact O-N 3.09Å; E752-L754 PolarHBondContact O-N 2.96Å; L754-H758 PolarHBondContact O-CD2 3.09Å; L754-L807 HydrophobicContact CD1-CD2 3.85Å
755L92.3Very high91.9Very high3 Ų328.8 Ų28.82%0.01616%0.155CC..Hα-helixtrans-77.7-32.8176.3-63176.5000111.9L742 M748 E752 Q753 H758 C759 L768 T810 A813 L835L742-L755 HydrophobicContact CD2-CD1 4.13Å; L742-L755 HydrophobicContact CD2-CD2 4.19Å; M748-L755 HydrophobicContact CB-CD1 4.48Å; M748-L755 HydrophobicContact CE-CD1 4.18Å; M748-L755 HydrophobicContact CG-CD1 3.94Å; M748-L755 HydrophobicContact SD-CD1 3.76Å; E752-L755 PolarHBondContact O-N 2.84Å; Q753-L755 VanDerWaalsContact C-N 3.26Å; Q753-L755 PolarHBondContact O-N 2.89Å; L755-H758 PolarHBondContact O-N 3.12Å; L755-C759 PolarHBondContact O-N 2.95Å; L755-C759 PolarHBondContact O-SG 2.76Å; L755-C759 VanDerWaalsContact O-SG 3.41Å; L755-L768 HydrophobicContact CB-CD2 3.8Å; L755-T810 HydrophobicContact CD1-CG2 4.05Å; L755-T810 HydrophobicContact CG-CG2 4.18Å; L755-A813 HydrophobicContact CD2-CB 3.82Å; L755-L835 HydrophobicContact CB-CD1 4.41Å; L755-L835 HydrophobicContact CD1-CD1 4.29Å; L755-L835 HydrophobicContact CD1-CD2 4.37Å
756M93.4Very high92Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-65.9-39.4175.9-72.1174.1-174.800111.9Y537 E752 Q753 H758 C759 F765 L768 V769 V772Y537-M756 HydrophobicContact CD1-CE 3.74Å; Y537-M756 HydrophobicContact CD1-SD 3.35Å; Y537-M756 WeakPolarHBondContact CD1-SD 3.44Å; Y537-M756 HydrophobicContact CD2-CE 3.76Å; Y537-M756 HydrophobicContact CD2-SD 4.18Å; Y537-M756 HydrophobicContact CE1-CE 3.86Å; Y537-M756 HydrophobicContact CE1-SD 3.97Å; Y537-M756 HydrophobicContact CE2-CE 3.9Å; Y537-M756 HydrophobicContact CG-CE 3.67Å; Y537-M756 HydrophobicContact CG-SD 3.46Å; E752-M756 HydrophobicContact CB-CE 4.07Å; E752-M756 HydrophobicContact CG-CE 3.79Å; E752-M756 HydrophobicContact CG-SD 4.44Å; E752-M756 VanDerWaalsContact O-CG 3.31Å; E752-M756 WeakPolarHBondContact O-CG 3.43Å; E752-M756 PolarHBondContact O-N 2.88Å; Q753-M756 WeakPolarHBondContact O-CA 3.2Å; Q753-M756 WeakPolarHBondContact O-CB 3.28Å; Q753-M756 PolarHBondContact O-N 2.75Å; M756-H758 PolarHBondContact O-N 3.01Å; M756-C759 VanDerWaalsContact O-CB 3.3Å; M756-C759 WeakPolarHBondContact O-CB 3.47Å; M756-C759 PolarHBondContact O-N 2.81Å; M756-C759 VanDerWaalsContact O-N 3.09Å; M756-F765 HydrophobicContact CB-CD2 3.79Å; M756-F765 HydrophobicContact CB-CE2 3.84Å; M756-F765 HydrophobicContact CG-CD2 3.98Å; M756-F765 HydrophobicContact CG-CE2 3.92Å; M756-F765 HydrophobicContact SD-CD2 4.49Å; M756-F765 HydrophobicContact SD-CE2 3.85Å; M756-L768 HydrophobicContact CB-CD2 4.25Å; M756-L768 HydrophobicContact CE-CG 4.22Å; M756-L768 HydrophobicContact CG-CD2 3.5Å; M756-L768 HydrophobicContact CG-CG 3.93Å; M756-V769 HydrophobicContact CE-CG2 3.78Å; M756-V769 HydrophobicContact SD-CG2 4.19Å; M756-V772 HydrophobicContact CE-CG2 4.49Å
757D87.5Confident92.3Very high30 Ų3037.7 Ų37.716%0.1620%0.195CC..Hα-helixtrans-65.9-26.2177.3-60.2-18.4000111.1P541 D542 Q753P541-D757 CarbonylContact C-O 3.54Å; P541-D757 VanDerWaalsContact CA-O 3.28Å; P541-D757 WeakPolarHBondContact CA-O 3.09Å; D542-D757 HydrophobicContact CB-CB 4.19Å; D542-D757 PolarHBondContact N-O 3.39Å; Q753-D757 PolarHBondContact NE2-OD1 2.93Å; Q753-D757 PolarHBondContact O-N 3.15Å
758H89.8Confident92.6Very high24 Ų2437.6 Ų37.611%0.11119%0.194CC..THydrogen-bonded Turntrans-86.7-0.9175.6-64-176000114L754 L755 M756 R760 V817 V818L754-H758 PolarHBondContact O-CD2 3.09Å; L755-H758 PolarHBondContact O-N 3.12Å; M756-H758 PolarHBondContact O-N 3.01Å; H758-R760 PolarHBondContact O-N 3.32Å; H758-V817 CarbonylContact O-C 3.57Å; H758-V817 WeakPolarHBondContact O-CA 3.2Å; H758-V817 WeakPolarHBondContact O-CG1 3.47Å; H758-V818 HydrophobicContact CB-CG2 4.06Å; H758-V818 PolarHBondContact O-N 3.22Å
759C96.9Very high92.7Very high0 Ų038.4 Ų38.40%020%0.199CC..BIsolated β-bridgetrans-67.9127.3-179.2-74.60000111.6Y539 F543 L755 M756 D761 T764 F765Y539-C759 HydrophobicContact CE2-CB 4.04Å; Y539-C759 WeakPolarHBondContact CE2-O 3.3Å; Y539-C759 PolarHBondContact OH-O 2.67Å; F543-C759 WeakPolarHBondContact CE1-O 3.47Å; F543-C759 WeakPolarHBondContact CZ-O 3.43Å; L755-C759 PolarHBondContact O-N 2.95Å; L755-C759 PolarHBondContact O-SG 2.76Å; L755-C759 VanDerWaalsContact O-SG 3.41Å; M756-C759 VanDerWaalsContact O-CB 3.3Å; M756-C759 WeakPolarHBondContact O-CB 3.47Å; M756-C759 PolarHBondContact O-N 2.81Å; M756-C759 VanDerWaalsContact O-N 3.09Å; C759-D761 PolarHBondContact O-N 3Å; C759-D761 VanDerWaalsContact O-N 3.13Å; C759-T764 HydrophobicContact CB-CG2 4.28Å; C759-F765 HydrophobicContact CB-CB 3.94Å
760R95.7Very high92.9Very high119 Ų11940.9 Ų40.945%0.44922%0.215SC..SBendtrans-53.8-36.8-177.9-173.1-176.166.1-144.8-13.8113.8Y539 H758 V817 V818Y539-R760 PolarHBondContact OH-O 3.32Å; H758-R760 PolarHBondContact O-N 3.32Å; R760-V817 HydrophobicContact CB-CG1 3.54Å; R760-V817 HydrophobicContact CG-CG1 4.14Å; R760-V818 PolarHBondContact N-O 2.63Å
761D96.3Very high93.4Very high46 Ų4639.7 Ų39.725%0.24620%0.2CC..SBendtrans-152.8165-174.551.953.4000111.1Y539 C759 A763 T764 F765Y539-D761 WeakPolarHBondContact OH-CA 3.34Å; Y539-D761 PolarHBondContact OH-N 2.84Å; C759-D761 PolarHBondContact O-N 3Å; C759-D761 VanDerWaalsContact O-N 3.13Å; D761-A763 PolarHBondContact O-N 3.18Å; D761-A763 PolarHBondContact OD1-N 2.98Å; D761-T764 PolarHBondContact O-N 3.22Å; D761-T764 VanDerWaalsContact O-N 3.14Å; D761-T764 WeakPolarHBondContact OD1-CB 3.47Å; D761-T764 PolarHBondContact OD1-N 3.45Å; D761-T764 PolarHBondContact OD1-OG1 3.45Å; D761-F765 PolarHBondContact O-N 3.28Å
762E95Very high93.7Very high123 Ų12339.6 Ų39.658%0.57520%0.199SC*.Hα-helixtrans-59.8-31.8-179.9-168.9171.8-159.900112.1Y539 F765 E766Y539-E762 HydrophobicContact CD1-CB 3.92Å; Y539-E762 HydrophobicContact CD1-CG 4.3Å; Y539-E762 HydrophobicContact CE1-CB 4.25Å; Y539-E762 HydrophobicContact CG-CB 4.45Å; E762-F765 WeakPolarHBondContact O-CB 3.45Å; E762-F765 PolarHBondContact O-N 2.85Å; E762-E766 WeakPolarHBondContact O-CG 3.28Å; E762-E766 PolarHBondContact O-N 3.1Å
763A97.7Very high93.7Very high66 Ų6641 Ų4155%0.54521%0.207SC..Hα-helixtrans-67.6-39.5177.600000112.1D761 K767D761-A763 PolarHBondContact O-N 3.18Å; D761-A763 PolarHBondContact OD1-N 2.98Å; A763-K767 WeakPolarHBondContact O-CG 3.48Å; A763-K767 PolarHBondContact O-N 3.17Å
764T97.4Very high94Very high4 Ų442 Ų423%0.02521%0.214CC..Hα-helixtrans-67.9-41.7174.9-54.10000110.8C759 D761 K767 L768 V818 V821C759-T764 HydrophobicContact CB-CG2 4.28Å; D761-T764 PolarHBondContact O-N 3.22Å; D761-T764 VanDerWaalsContact O-N 3.14Å; D761-T764 WeakPolarHBondContact OD1-CB 3.47Å; D761-T764 PolarHBondContact OD1-N 3.45Å; D761-T764 PolarHBondContact OD1-OG1 3.45Å; T764-K767 WeakPolarHBondContact O-CB 3.38Å; T764-K767 PolarHBondContact O-N 3.49Å; T764-L768 PolarHBondContact O-N 2.94Å; T764-V818 HydrophobicContact CG2-CG1 4.01Å; T764-V821 HydrophobicContact CG2-CG2 4.23Å
765F97.1Very high94.4Very high2 Ų239.5 Ų39.51%0.00920%0.201CC..Hα-helixtrans-56.9-48.7172.9165.7-92.8000112.1R538 Y539 M756 C759 D761 E762 K767 L768 V769R538-F765 VanDerWaalsContact C-CZ 3.43Å; Y539-F765 HydrophobicContact CD2-CB 3.51Å; Y539-F765 HydrophobicContact CD2-CD1 4.35Å; Y539-F765 AromaticContact CD2-CD2 3.74Å; Y539-F765 HydrophobicContact CD2-CD2 3.74Å; Y539-F765 AromaticContact CD2-CG 3.6Å; Y539-F765 HydrophobicContact CD2-CG 3.6Å; Y539-F765 HydrophobicContact CE2-CB 4.03Å; Y539-F765 HydrophobicContact CG-CB 4.14Å; Y539-F765 HydrophobicContact CG-CD1 4.32Å; Y539-F765 HydrophobicContact CG-CD2 4.38Å; Y539-F765 HydrophobicContact CG-CG 4.02Å; Y539-F765 VanDerWaalsContact N-CZ 3.29Å; M756-F765 HydrophobicContact CB-CD2 3.79Å; M756-F765 HydrophobicContact CB-CE2 3.84Å; M756-F765 HydrophobicContact CG-CD2 3.98Å; M756-F765 HydrophobicContact CG-CE2 3.92Å; M756-F765 HydrophobicContact SD-CD2 4.49Å; M756-F765 HydrophobicContact SD-CE2 3.85Å; C759-F765 HydrophobicContact CB-CB 3.94Å; D761-F765 PolarHBondContact O-N 3.28Å; E762-F765 WeakPolarHBondContact O-CB 3.45Å; E762-F765 PolarHBondContact O-N 2.85Å; F765-K767 VanDerWaalsContact C-N 3.29Å; F765-K767 PolarHBondContact O-N 2.9Å; F765-L768 WeakPolarHBondContact O-CA 3.33Å; F765-L768 WeakPolarHBondContact O-CB 3.37Å; F765-L768 PolarHBondContact O-N 3.3Å; F765-V769 HydrophobicContact CD1-CG2 4.25Å; F765-V769 HydrophobicContact CD2-CG2 4.33Å; F765-V769 HydrophobicContact CE1-CG2 3.77Å; F765-V769 HydrophobicContact CE2-CG2 3.87Å; F765-V769 HydrophobicContact CZ-CG2 3.56Å; F765-V769 WeakPolarHBondContact O-CG2 3.41Å; F765-V769 PolarHBondContact O-N 2.9Å
766E96.8Very high94.3Very high93 Ų9339.5 Ų39.544%0.43520%0.201SC..Hα-helixtrans-63-34.9179.1-73.9-61154.500112.6E762 T770E762-E766 WeakPolarHBondContact O-CG 3.28Å; E762-E766 PolarHBondContact O-N 3.1Å; E766-T770 WeakPolarHBondContact O-CB 3.43Å; E766-T770 PolarHBondContact O-N 3.03Å; E766-T770 PolarHBondContact O-OG1 3.05Å
767K97.8Very high94.1Very high97 Ų9743.5 Ų43.542%0.42222%0.22SC..Hα-helixtrans-64.7-40.7172-68.5178.6177.8-1700111.8A763 T764 F765 T770 M771 D820 V821A763-K767 WeakPolarHBondContact O-CG 3.48Å; A763-K767 PolarHBondContact O-N 3.17Å; T764-K767 WeakPolarHBondContact O-CB 3.38Å; T764-K767 PolarHBondContact O-N 3.49Å; F765-K767 VanDerWaalsContact C-N 3.29Å; F765-K767 PolarHBondContact O-N 2.9Å; K767-T770 PolarHBondContact O-N 3.47Å; K767-M771 WeakPolarHBondContact O-CB 3.49Å; K767-M771 PolarHBondContact O-N 3.03Å; K767-D820 IonicContact NZ-OD1 3.51Å; K767-D820 PolarHBondContact NZ-OD1 3.33Å; K767-V821 HydrophobicContact CB-CB 3.75Å; K767-V821 HydrophobicContact CB-CG1 4.31Å; K767-V821 HydrophobicContact CB-CG2 4.12Å; K767-V821 HydrophobicContact CD-CB 4.35Å
768L97Very high94.2Very high0 Ų045.6 Ų45.60%023%0.226CC..Hα-helixtrans-64.9-46.9176.7176.651.1000111.2L755 M756 T764 F765 T770 M771 V772 V821 L835L755-L768 HydrophobicContact CB-CD2 3.8Å; M756-L768 HydrophobicContact CB-CD2 4.25Å; M756-L768 HydrophobicContact CE-CG 4.22Å; M756-L768 HydrophobicContact CG-CD2 3.5Å; M756-L768 HydrophobicContact CG-CG 3.93Å; T764-L768 PolarHBondContact O-N 2.94Å; F765-L768 WeakPolarHBondContact O-CA 3.33Å; F765-L768 WeakPolarHBondContact O-CB 3.37Å; F765-L768 PolarHBondContact O-N 3.3Å; L768-T770 VanDerWaalsContact C-N 3.28Å; L768-T770 PolarHBondContact O-N 2.94Å; L768-M771 HydrophobicContact CD1-CE 3.43Å; L768-M771 VanDerWaalsContact CD1-CE 3.43Å; L768-M771 PolarHBondContact O-N 3.27Å; L768-M771 VanDerWaalsContact O-N 3.16Å; L768-V772 HydrophobicContact CD1-CG2 3.99Å; L768-V772 WeakPolarHBondContact O-CG2 3.46Å; L768-V772 PolarHBondContact O-N 3.19Å; L768-V821 HydrophobicContact CB-CG2 4.02Å; L768-L835 HydrophobicContact CD1-CD1 3.56Å; L768-L835 HydrophobicContact CD2-CD1 3.86Å; L768-L835 HydrophobicContact CG-CD1 4.25Å
769V94.7Very high94.1Very high18 Ų1846.2 Ų46.211%0.10923%0.228CC..Hα-helixtrans-55.5-46.5174.2171.60000110.6Y537 M756 F765 V772 N773Y537-V769 HydrophobicContact CD2-CG1 4.03Å; Y537-V769 HydrophobicContact CD2-CG2 3.98Å; Y537-V769 HydrophobicContact CG-CG2 4.27Å; M756-V769 HydrophobicContact CE-CG2 3.78Å; M756-V769 HydrophobicContact SD-CG2 4.19Å; F765-V769 HydrophobicContact CD1-CG2 4.25Å; F765-V769 HydrophobicContact CD2-CG2 4.33Å; F765-V769 HydrophobicContact CE1-CG2 3.77Å; F765-V769 HydrophobicContact CE2-CG2 3.87Å; F765-V769 HydrophobicContact CZ-CG2 3.56Å; F765-V769 WeakPolarHBondContact O-CG2 3.41Å; F765-V769 PolarHBondContact O-N 2.9Å; V769-V772 PolarHBondContact O-N 2.98Å; V769-N773 WeakPolarHBondContact O-CB 3.24Å; V769-N773 PolarHBondContact O-N 2.98Å; V769-N773 PolarHBondContact O-ND2 3.36Å
770T95.2Very high93.7Very high56 Ų5649.8 Ų49.834%0.34425%0.246SC..Hα-helixtrans-60.3-48176.5-58.10000111.2E766 K767 L768 V772 N773 D774E766-T770 WeakPolarHBondContact O-CB 3.43Å; E766-T770 PolarHBondContact O-N 3.03Å; E766-T770 PolarHBondContact O-OG1 3.05Å; K767-T770 PolarHBondContact O-N 3.47Å; L768-T770 VanDerWaalsContact C-N 3.28Å; L768-T770 PolarHBondContact O-N 2.94Å; T770-V772 PolarHBondContact O-N 3.39Å; T770-N773 PolarHBondContact O-N 3.31Å; T770-D774 WeakPolarHBondContact CG2-OD2 3.3Å; T770-D774 VanDerWaalsContact O-CB 3.24Å; T770-D774 WeakPolarHBondContact O-CB 3.49Å; T770-D774 PolarHBondContact O-N 2.57Å
771M95.6Very high93.3Very high9 Ų947.7 Ų47.74%0.04426%0.255CS..Hα-helixtrans-58.5-46.2179.4-179-178.969.600112.5V745 M748 K767 L768 F775 V821 L835V745-M771 HydrophobicContact CG1-CG 4.28Å; V745-M771 HydrophobicContact CG2-CE 4.15Å; V745-M771 HydrophobicContact CG2-CG 3.86Å; V745-M771 HydrophobicContact CG2-SD 3.77Å; M748-M771 HydrophobicContact CE-CE 4.21Å; M748-M771 HydrophobicContact SD-CE 3.74Å; K767-M771 WeakPolarHBondContact O-CB 3.49Å; K767-M771 PolarHBondContact O-N 3.03Å; L768-M771 HydrophobicContact CD1-CE 3.43Å; L768-M771 VanDerWaalsContact CD1-CE 3.43Å; L768-M771 PolarHBondContact O-N 3.27Å; L768-M771 VanDerWaalsContact O-N 3.16Å; M771-F775 PolarHBondContact O-N 3.22Å; M771-V821 HydrophobicContact CB-CG1 3.99Å; M771-V821 HydrophobicContact CE-CG1 4.03Å; M771-V821 HydrophobicContact CG-CG1 4.38Å; M771-V821 HydrophobicContact SD-CG1 3.62Å; M771-L835 HydrophobicContact CE-CB 4.07Å; M771-L835 HydrophobicContact CE-CD1 4.35Å
772V93.3Very high92.9Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-65.2-48.5179.4168.40000110.5F749 E752 M756 L768 V769 T770 F775 K776F749-V772 HydrophobicContact CD1-CG1 4.06Å; F749-V772 HydrophobicContact CE1-CG1 3.92Å; E752-V772 HydrophobicContact CB-CG2 4.1Å; E752-V772 HydrophobicContact CG-CG1 4.33Å; M756-V772 HydrophobicContact CE-CG2 4.49Å; L768-V772 HydrophobicContact CD1-CG2 3.99Å; L768-V772 WeakPolarHBondContact O-CG2 3.46Å; L768-V772 PolarHBondContact O-N 3.19Å; V769-V772 PolarHBondContact O-N 2.98Å; T770-V772 PolarHBondContact O-N 3.39Å; V772-F775 PolarHBondContact O-N 2.8Å; V772-K776 HydrophobicContact CG1-CD 4.24Å; V772-K776 WeakPolarHBondContact O-CG 3.37Å; V772-K776 PolarHBondContact O-N 3.28Å
773N91.1Very high92.5Very high37 Ų3750.9 Ų50.920%0.19827%0.273CS..Hα-helixtrans-68.4-39.2-178.1-77.7-27.6000112.6V769 T770 F775 K776 Q777V769-N773 WeakPolarHBondContact O-CB 3.24Å; V769-N773 PolarHBondContact O-N 2.98Å; V769-N773 PolarHBondContact O-ND2 3.36Å; T770-N773 PolarHBondContact O-N 3.31Å; N773-F775 VanDerWaalsContact C-N 3.27Å; N773-F775 PolarHBondContact O-N 3.28Å; N773-K776 PolarHBondContact O-N 3.28Å; N773-Q777 WeakPolarHBondContact O-CB 3.43Å; N773-Q777 VanDerWaalsContact O-CG 3.28Å; N773-Q777 WeakPolarHBondContact O-CG 3.22Å; N773-Q777 PolarHBondContact O-N 3.12Å
774D91.8Very high92Very high90 Ų9053 Ų5348%0.48127%0.272SS..Hα-helixtrans-60.3-39.8175.3-76.2-9.2000110.8T770 Q777 Y778T770-D774 WeakPolarHBondContact CG2-OD2 3.3Å; T770-D774 VanDerWaalsContact O-CB 3.24Å; T770-D774 WeakPolarHBondContact O-CB 3.49Å; T770-D774 PolarHBondContact O-N 2.57Å; D774-Q777 PolarHBondContact O-N 2.83Å; D774-Y778 WeakPolarHBondContact O-CB 3.41Å; D774-Y778 PolarHBondContact O-N 3.38Å
775F91.2Very high91.3Very high13 Ų1354.8 Ų54.86%0.05728%0.283CS..Hα-helixtrans-70.2-42.3174.5-109.6-78.8000112.5V745 P746 F749 M771 V772 N773 Q777 Y778 F779 S837 P839V745-F775 HydrophobicContact CB-CB 4.22Å; V745-F775 HydrophobicContact CB-CD1 4.43Å; V745-F775 HydrophobicContact CB-CD2 3.59Å; V745-F775 HydrophobicContact CB-CE2 4.04Å; V745-F775 HydrophobicContact CB-CG 3.81Å; V745-F775 HydrophobicContact CG1-CB 3.59Å; V745-F775 HydrophobicContact CG1-CD2 3.7Å; V745-F775 HydrophobicContact CG1-CG 3.74Å; V745-F775 HydrophobicContact CG2-CD2 3.71Å; V745-F775 HydrophobicContact CG2-CE2 3.87Å; V745-F775 HydrophobicContact CG2-CG 4.43Å; P746-F775 HydrophobicContact CG-CD1 4.11Å; P746-F775 HydrophobicContact CG-CE1 4.32Å; F749-F775 HydrophobicContact CZ-CB 4.11Å; M771-F775 PolarHBondContact O-N 3.22Å; V772-F775 PolarHBondContact O-N 2.8Å; N773-F775 VanDerWaalsContact C-N 3.27Å; N773-F775 PolarHBondContact O-N 3.28Å; F775-Q777 VanDerWaalsContact C-N 3.27Å; F775-Q777 PolarHBondContact O-N 3.27Å; F775-Y778 HydrophobicContact CD1-CD1 4.3Å; F775-Y778 HydrophobicContact CE1-CD1 4.33Å; F775-Y778 WeakPolarHBondContact O-CB 3.46Å; F775-Y778 PolarHBondContact O-N 3.23Å; F775-Y778 VanDerWaalsContact O-N 3.16Å; F775-F779 HydrophobicContact CD1-CE2 4.23Å; F775-F779 WeakPolarHBondContact O-CD2 3.3Å; F775-F779 PolarHBondContact O-N 3.27Å; F775-S837 WeakPolarHBondContact CE2-OG 3.36Å; F775-P839 HydrophobicContact CE1-CB 4.03Å; F775-P839 HydrophobicContact CZ-CB 4.16Å; F775-P839 VanDerWaalsContact CZ-N 3.33Å
776K89.7Confident90.5Very high2 Ų255.4 Ų55.41%0.00929%0.286CS..Hα-helixtrans-57-44.2172.9-72-179.6179.6177.40110.4L534 D535 Y537 F749 E752 V772 N773 Y778 F779 I780 I786L534-K776 HydrophobicContact CD2-CB 3.56Å; L534-K776 HydrophobicContact CD2-CD 3.86Å; L534-K776 HydrophobicContact CD2-CG 4.31Å; D535-K776 IonicContact OD2-NZ 2.7Å; D535-K776 PolarHBondContact OD2-NZ 2.92Å; Y537-K776 PolarHBondContact OH-NZ 2.63Å; F749-K776 HydrophobicContact CD1-CG 4.32Å; F749-K776 HydrophobicContact CE1-CD 4.49Å; F749-K776 HydrophobicContact CE1-CG 3.73Å; F749-K776 HydrophobicContact CE2-CG 3.99Å; F749-K776 HydrophobicContact CZ-CB 4.44Å; F749-K776 HydrophobicContact CZ-CG 3.53Å; E752-K776 IonicContact OE1-NZ 3.48Å; E752-K776 PolarHBondContact OE1-NZ 3.05Å; V772-K776 HydrophobicContact CG1-CD 4.24Å; V772-K776 WeakPolarHBondContact O-CG 3.37Å; V772-K776 PolarHBondContact O-N 3.28Å; N773-K776 PolarHBondContact O-N 3.28Å; K776-Y778 PolarHBondContact O-N 3.06Å; K776-F779 PolarHBondContact O-N 2.77Å; K776-I780 WeakPolarHBondContact O-CG1 3.41Å; K776-I780 PolarHBondContact O-N 3.35Å; K776-I780 VanDerWaalsContact O-N 3.12Å; K776-I786 HydrophobicContact CB-CG2 4.05Å; K776-I786 HydrophobicContact CD-CD1 4.24Å; K776-I786 HydrophobicContact CG-CD1 4.37Å; K776-I786 HydrophobicContact CG-CG2 4.32Å; K776-I786 WeakPolarHBondContact O-CG2 3.4Å
777Q89.7Confident89.5Confident85 Ų8555.5 Ų55.540%0.39728%0.283SS..Hα-helixtrans-63.6-38.2175.8-73.3-61.1-2700113N773 D774 F775 F779 I780 A781N773-Q777 WeakPolarHBondContact O-CB 3.43Å; N773-Q777 VanDerWaalsContact O-CG 3.28Å; N773-Q777 WeakPolarHBondContact O-CG 3.22Å; N773-Q777 PolarHBondContact O-N 3.12Å; D774-Q777 PolarHBondContact O-N 2.83Å; F775-Q777 VanDerWaalsContact C-N 3.27Å; F775-Q777 PolarHBondContact O-N 3.27Å; Q777-F779 VanDerWaalsContact C-N 3.32Å; Q777-F779 PolarHBondContact O-N 2.76Å; Q777-I780 PolarHBondContact O-N 2.79Å; Q777-A781 VanDerWaalsContact O-CB 3.31Å; Q777-A781 WeakPolarHBondContact O-CB 3.37Å; Q777-A781 PolarHBondContact O-N 3.02Å
778Y88.7Confident88.3Confident73 Ų7357.1 Ų57.129%0.28629%0.292SS..Hα-helixtrans-57.8-43.1175166.8-102.8000112D774 F775 K776 H782 F936D774-Y778 WeakPolarHBondContact O-CB 3.41Å; D774-Y778 PolarHBondContact O-N 3.38Å; F775-Y778 HydrophobicContact CD1-CD1 4.3Å; F775-Y778 HydrophobicContact CE1-CD1 4.33Å; F775-Y778 WeakPolarHBondContact O-CB 3.46Å; F775-Y778 PolarHBondContact O-N 3.23Å; F775-Y778 VanDerWaalsContact O-N 3.16Å; K776-Y778 PolarHBondContact O-N 3.06Å; Y778-H782 AromaticContact CD2-CE1 3.62Å; Y778-H782 AromaticContact CD2-ND1 3.74Å; Y778-H782 AromaticContact CE2-CE1 3.34Å; Y778-H782 WeakPolarHBondContact CE2-CE1 3.42Å; Y778-H782 AromaticContact CE2-ND1 3.63Å; Y778-H782 PolarHBondContact O-ND1 2.97Å; Y778-F936 HydrophobicContact CE1-CZ 4.19Å; Y778-F936 HydrophobicContact CE2-CZ 4.16Å; Y778-F936 AromaticContact CZ-CZ 3.82Å
779F87.7Confident87Confident38 Ų3859.2 Ų59.217%0.16730%0.303CS..Hα-helixtrans-65.4-46.4174.5-82.5-101.7000111.8P746 F775 K776 Q777 A781 H782 D783 Q784 P785 I786P746-F779 HydrophobicContact CB-CE2 4.4Å; P746-F779 HydrophobicContact CB-CZ 4.39Å; P746-F779 HydrophobicContact CG-CE2 3.88Å; P746-F779 HydrophobicContact CG-CZ 4.12Å; F775-F779 HydrophobicContact CD1-CE2 4.23Å; F775-F779 WeakPolarHBondContact O-CD2 3.3Å; F775-F779 PolarHBondContact O-N 3.27Å; K776-F779 PolarHBondContact O-N 2.77Å; Q777-F779 VanDerWaalsContact C-N 3.32Å; Q777-F779 PolarHBondContact O-N 2.76Å; F779-A781 VanDerWaalsContact C-N 3.34Å; F779-A781 PolarHBondContact O-N 3.04Å; F779-H782 CarbonylContact O-C 3.6Å; F779-H782 PolarHBondContact O-N 3.34Å; F779-H782 VanDerWaalsContact O-N 3.11Å; F779-D783 PolarHBondContact O-N 3.27Å; F779-Q784 CarbonylContact C-O 3.5Å; F779-Q784 HydrophobicContact CB-CB 4.28Å; F779-Q784 HydrophobicContact CD1-CB 3.81Å; F779-Q784 HydrophobicContact CG-CB 4.49Å; F779-Q784 PolarHBondContact O-N 2.89Å; F779-P785 WeakPolarHBondContact CD1-O 3.46Å; F779-I786 HydrophobicContact CB-CG2 3.78Å
780I87.6Confident86.3Confident74 Ų7459.1 Ų59.138%0.37930%0.303SS..Hα-helixtrans-59.6-43.6179.8-66.4164.5000111.3L534 K776 Q777 H782 D783 I786L534-I780 HydrophobicContact CD2-CD1 4.39Å; K776-I780 WeakPolarHBondContact O-CG1 3.41Å; K776-I780 PolarHBondContact O-N 3.35Å; K776-I780 VanDerWaalsContact O-N 3.12Å; Q777-I780 PolarHBondContact O-N 2.79Å; I780-H782 PolarHBondContact O-N 2.97Å; I780-H782 VanDerWaalsContact O-N 3.15Å; I780-D783 PolarHBondContact O-N 3.5Å; I780-I786 HydrophobicContact CD1-CG2 4.49Å; I780-I786 HydrophobicContact CG1-CG2 4.14Å
781A87.8Confident85.8Confident75 Ų7559 Ų5962%0.6230%0.304SS*.Hα-helixtrans-65-16.718000000113.9Q777 F779Q777-A781 VanDerWaalsContact O-CB 3.31Å; Q777-A781 WeakPolarHBondContact O-CB 3.37Å; Q777-A781 PolarHBondContact O-N 3.02Å; F779-A781 VanDerWaalsContact C-N 3.34Å; F779-A781 PolarHBondContact O-N 3.04Å
782H88.5Confident85.4Confident86 Ų8664 Ų6440%0.39834%0.338SS..THydrogen-bonded Turntrans-10818.1176-66.287.6000112.6Y778 F779 I780 Q784Y778-H782 AromaticContact CD2-CE1 3.62Å; Y778-H782 AromaticContact CD2-ND1 3.74Å; Y778-H782 AromaticContact CE2-CE1 3.34Å; Y778-H782 WeakPolarHBondContact CE2-CE1 3.42Å; Y778-H782 AromaticContact CE2-ND1 3.63Å; Y778-H782 PolarHBondContact O-ND1 2.97Å; F779-H782 CarbonylContact O-C 3.6Å; F779-H782 PolarHBondContact O-N 3.34Å; F779-H782 VanDerWaalsContact O-N 3.11Å; I780-H782 PolarHBondContact O-N 2.97Å; I780-H782 VanDerWaalsContact O-N 3.15Å; H782-Q784 HydrophobicContact CB-CG 4.24Å; H782-Q784 WeakPolarHBondContact O-CG 3.38Å; H782-Q784 PolarHBondContact O-N 3.4Å; H782-Q784 PolarHBondContact O-NE2 3.4Å
783D87Confident85.1Confident151 Ų15165.3 Ų65.381%0.80735%0.352SS*.THydrogen-bonded Turntrans54.435.3-178.6-58.9-56.9000112.8F779 I780F779-D783 PolarHBondContact O-N 3.27Å; I780-D783 PolarHBondContact O-N 3.5Å
784Q86Confident85.2Confident111 Ų11163.8 Ų63.852%0.51934%0.343SS..  trans-108146.1177.9-59.6-51.8-60.500111.8F779 H782F779-Q784 CarbonylContact C-O 3.5Å; F779-Q784 HydrophobicContact CB-CB 4.28Å; F779-Q784 HydrophobicContact CD1-CB 3.81Å; F779-Q784 HydrophobicContact CG-CB 4.49Å; F779-Q784 PolarHBondContact O-N 2.89Å; H782-Q784 HydrophobicContact CB-CG 4.24Å; H782-Q784 WeakPolarHBondContact O-CG 3.38Å; H782-Q784 PolarHBondContact O-N 3.4Å; H782-Q784 PolarHBondContact O-NE2 3.4Å
785P82.9Confident85.2Confident40 Ų4063.1 Ų63.126%0.2634%0.336SS..  trans-71.3142.5175.630.1-34.6000111.7F779 Y787 E788F779-P785 WeakPolarHBondContact CD1-O 3.46Å; P785-Y787 VanDerWaalsContact C-N 3.35Å; P785-Y787 HydrophobicContact CB-CD1 4.37Å; P785-Y787 HydrophobicContact CB-CD2 4.26Å; P785-Y787 HydrophobicContact CB-CE1 3.97Å; P785-Y787 HydrophobicContact CB-CE2 3.83Å; P785-E788 HydrophobicContact CG-CB 4.13Å; P785-E788 HydrophobicContact CG-CG 4.39Å
786I80.1Confident85.3Confident16 Ų1665.1 Ų65.18%0.08236%0.355CS..SBendtrans-83.9-8.1175.757.7170.7000113.7F749 K776 F779 I780 L802F749-I786 WeakPolarHBondContact CD2-O 3.3Å; K776-I786 HydrophobicContact CB-CG2 4.05Å; K776-I786 HydrophobicContact CD-CD1 4.24Å; K776-I786 HydrophobicContact CG-CD1 4.37Å; K776-I786 HydrophobicContact CG-CG2 4.32Å; K776-I786 WeakPolarHBondContact O-CG2 3.4Å; F779-I786 HydrophobicContact CB-CG2 3.78Å; I780-I786 HydrophobicContact CD1-CG2 4.49Å; I780-I786 HydrophobicContact CG1-CG2 4.14Å; I786-L802 WeakPolarHBondContact O-CD2 3.32Å
787Y76.9Confident85.4Confident95 Ų9565.3 Ų65.337%0.37336%0.357SS..SBendtrans-111.73.4-170.651.5-103000113.9T529 P785T529-Y787 HydrophobicContact CG2-CD2 4.01Å; T529-Y787 HydrophobicContact CG2-CG 4.22Å; P785-Y787 VanDerWaalsContact C-N 3.35Å; P785-Y787 HydrophobicContact CB-CD1 4.37Å; P785-Y787 HydrophobicContact CB-CD2 4.26Å; P785-Y787 HydrophobicContact CB-CE1 3.97Å; P785-Y787 HydrophobicContact CB-CE2 3.83Å
788E72.4Confident85.7Confident131 Ų13161.2 Ų61.261%0.61234%0.338SS*.  trans-119.6101.5176-66.6-162.7170.200111.5P785P785-E788 HydrophobicContact CG-CB 4.13Å; P785-E788 HydrophobicContact CG-CG 4.39Å
789N70.1Confident86Confident43 Ų4358.1 Ų58.123%0.2333%0.326CS..  trans-130.8-19.5174.3-162.337.3000115.6S791 L802N789-S791 PolarHBondContact O-N 3.06Å; N789-S791 VanDerWaalsContact O-N 3.08Å; N789-L802 HydrophobicContact CB-CD1 3.69Å; N789-L802 HydrophobicContact CB-CD2 4.2Å
790P78.2Confident86.3Confident16 Ų1656.6 Ų56.610%0.10432%0.32CS..  trans-63116.3174.8-23.633.7000112.2N794 K795 I799 T801P790-N794 HydrophobicContact CB-CB 4.2Å; P790-K795 HydrophobicContact CB-CG 4.09Å; P790-I799 HydrophobicContact CB-CG2 4.27Å; P790-I799 HydrophobicContact CG-CG2 4.25Å; P790-T801 WeakPolarHBondContact CG-O 3.32Å
791S85.2Confident86.6Confident53 Ų5353.4 Ų53.437%0.37131%0.305SS..  trans-64162.2175.772.40000111.4N789 G793 N794 K795N789-S791 PolarHBondContact O-N 3.06Å; N789-S791 VanDerWaalsContact O-N 3.08Å; S791-G793 PolarHBondContact O-N 3.13Å; S791-G793 VanDerWaalsContact O-N 3.1Å; S791-G793 PolarHBondContact OG-N 3.03Å; S791-N794 WeakPolarHBondContact CB-OD1 3.4Å; S791-N794 PolarHBondContact N-OD1 3.49Å; S791-N794 PolarHBondContact O-N 3.15Å; S791-N794 VanDerWaalsContact OG-CG 3.25Å; S791-N794 PolarHBondContact OG-N 2.87Å; S791-N794 PolarHBondContact OG-OD1 3.33Å; S791-K795 PolarHBondContact O-N 3.34Å
792P87.3Confident86.8Confident115 Ų11550 Ų5075%0.74728%0.275SS*.Hα-helixtrans-52.8-34.1173.7-27.435.4000113.1A796P792-A796 VanDerWaalsContact O-CB 3.3Å; P792-A796 WeakPolarHBondContact O-CB 3.49Å; P792-A796 PolarHBondContact O-N 3.14Å
793G87.7Confident87Confident28 Ų2846.1 Ų46.129%0.28926%0.258SS..Hα-helixtrans-68.3-36.7175.600000113.7S791 G797 R863S791-G793 PolarHBondContact O-N 3.13Å; S791-G793 VanDerWaalsContact O-N 3.1Å; S791-G793 PolarHBondContact OG-N 3.03Å; G793-G797 PolarHBondContact O-N 3.02Å; G793-G797 VanDerWaalsContact O-N 3.12Å; G793-R863 PolarHBondContact O-NE 3.38Å
794N92.6Very high87.2Confident4 Ų439 Ų392%0.02122%0.219CC..Hα-helixtrans-69.9-43.3175.4-56.9126.9000111.2S714 P790 S791 A796 G797 G798 I799S714-N794 PolarHBondContact N-ND2 2.95Å; S714-N794 WeakPolarHBondContact O-CA 3.32Å; S714-N794 PolarHBondContact O-ND2 3.5Å; P790-N794 HydrophobicContact CB-CB 4.2Å; S791-N794 WeakPolarHBondContact CB-OD1 3.4Å; S791-N794 PolarHBondContact N-OD1 3.49Å; S791-N794 PolarHBondContact O-N 3.15Å; S791-N794 VanDerWaalsContact OG-CG 3.25Å; S791-N794 PolarHBondContact OG-N 2.87Å; S791-N794 PolarHBondContact OG-OD1 3.33Å; N794-A796 VanDerWaalsContact C-N 3.34Å; N794-A796 PolarHBondContact O-N 2.91Å; N794-G797 CarbonylContact O-C 3.48Å; N794-G797 WeakPolarHBondContact O-CA 3.39Å; N794-G797 PolarHBondContact O-N 3.31Å; N794-G798 PolarHBondContact O-N 3.41Å; N794-I799 HydrophobicContact CB-CB 4.2Å; N794-I799 PolarHBondContact O-N 2.87Å; N794-I799 VanDerWaalsContact O-N 3.08Å
795K92.1Very high87.6Confident77 Ų7734.4 Ų34.434%0.33520%0.198SC..Hα-helixtrans-60-45.2175.5-66.3-173.9-179-178.80111.3H523 P790 S791 G797 G798 I799H523-K795 PolarHBondContact CE1-O 3.23Å; H523-K795 PolarHBondContact NE2-O 2.85Å; P790-K795 HydrophobicContact CB-CG 4.09Å; S791-K795 PolarHBondContact O-N 3.34Å; K795-G797 PolarHBondContact O-N 2.8Å; K795-G798 PolarHBondContact O-N 3.24Å; K795-I799 WeakPolarHBondContact CA-O 3.37Å
796A92.3Very high88.1Confident55 Ų5532.5 Ų32.546%0.45519%0.185SC..THydrogen-bonded Turntrans-68.2-9.4173.100000114.6P792 N794 R863P792-A796 VanDerWaalsContact O-CB 3.3Å; P792-A796 WeakPolarHBondContact O-CB 3.49Å; P792-A796 PolarHBondContact O-N 3.14Å; N794-A796 VanDerWaalsContact C-N 3.34Å; N794-A796 PolarHBondContact O-N 2.91Å; A796-R863 PolarHBondContact O-NH1 2.84Å; A796-R863 VanDerWaalsContact O-NH1 3.14Å
797G92.7Very high88.6Confident5 Ų532 Ų325%0.05218%0.183CC..THydrogen-bonded Turntrans-96.32.217000000113.2D715 G716 G793 N794 K795D715-G797 WeakPolarHBondContact CB-O 3.43Å; G716-G797 PolarHBondContact N-O 3.43Å; G793-G797 PolarHBondContact O-N 3.02Å; G793-G797 VanDerWaalsContact O-N 3.12Å; N794-G797 CarbonylContact O-C 3.48Å; N794-G797 WeakPolarHBondContact O-CA 3.39Å; N794-G797 PolarHBondContact O-N 3.31Å; K795-G797 PolarHBondContact O-N 2.8Å
798G95.3Very high89.3Confident0 Ų027.7 Ų27.70%017%0.168CC..THydrogen-bonded Turntrans100.2-6.7178.100000115.6H489 K490 N794 K795 T800H489-G798 VanDerWaalsContact CD2-CA 3.45Å; H489-G798 WeakPolarHBondContact CD2-CA 3.34Å; H489-G798 WeakPolarHBondContact NE2-CA 3.44Å; H489-G798 PolarHBondContact NE2-N 3.11Å; K490-G798 PolarHBondContact NZ-O 2.88Å; N794-G798 PolarHBondContact O-N 3.41Å; K795-G798 PolarHBondContact O-N 3.24Å; G798-T800 PolarHBondContact O-N 3.21Å; G798-T800 PolarHBondContact O-OG1 3.43Å
799I94.6Very high90.3Very high7 Ų721.6 Ų21.64%0.03614%0.139CC..  trans-71.7121.6177.3-61.3-63.8000110.2H523 D715 P790 N794 K795 D804 K805H523-I799 PolarHBondContact CE1-O 3.43Å; H523-I799 VanDerWaalsContact CE1-O 3.26Å; D715-I799 WeakPolarHBondContact O-CD1 3.36Å; P790-I799 HydrophobicContact CB-CG2 4.27Å; P790-I799 HydrophobicContact CG-CG2 4.25Å; N794-I799 HydrophobicContact CB-CB 4.2Å; N794-I799 PolarHBondContact O-N 2.87Å; N794-I799 VanDerWaalsContact O-N 3.08Å; K795-I799 WeakPolarHBondContact CA-O 3.37Å; I799-D804 WeakPolarHBondContact CA-OD2 3.45Å; I799-D804 HydrophobicContact CG2-CB 4.4Å; I799-K805 HydrophobicContact CG2-CB 3.74Å; I799-K805 HydrophobicContact CG2-CG 4.17Å
800T94.8Very high91.3Very high6 Ų620 Ų204%0.03713%0.131CC..  trans-94-48.7-164.8-61.10000113.6K490 H523 T527 G798 D804K490-T800 WeakPolarHBondContact CE-OG1 3.41Å; K490-T800 PolarHBondContact NZ-OG1 2.65Å; H523-T800 PolarHBondContact ND1-OG1 2.88Å; T527-T800 HydrophobicContact CG2-CG2 4.09Å; G798-T800 PolarHBondContact O-N 3.21Å; G798-T800 PolarHBondContact O-OG1 3.43Å; T800-D804 PolarHBondContact N-OD2 3.4Å
801T94.2Very high92Very high8 Ų821.7 Ų21.75%0.04914%0.138CC..SBendtrans-129.2175.5-177.257.30000110I509 T527 P790 E803 D804 K805I509-T801 VanDerWaalsContact O-CB 3.23Å; I509-T801 WeakPolarHBondContact O-CB 3.47Å; I509-T801 WeakPolarHBondContact O-CG2 3.4Å; I509-T801 PolarHBondContact O-OG1 2.93Å; T527-T801 HydrophobicContact CG2-CG2 4.32Å; P790-T801 WeakPolarHBondContact CG-O 3.32Å; T801-E803 VanDerWaalsContact C-N 3.34Å; T801-E803 WeakPolarHBondContact CB-OE2 3.36Å; T801-D804 WeakPolarHBondContact OG1-CB 3.41Å; T801-D804 PolarHBondContact OG1-N 3.04Å; T801-D804 VanDerWaalsContact OG1-N 3.08Å; T801-K805 PolarHBondContact O-N 3.37Å
802L92.3Very high92.5Very high2 Ų219.1 Ų19.11%0.0112%0.12CC..Hα-helixtrans-65.1-42171.7-179.147.6000110.5L531 F749 I786 N789 D804 K805 S806L531-L802 HydrophobicContact CD1-CB 4.14Å; L531-L802 HydrophobicContact CD1-CD2 3.91Å; L531-L802 HydrophobicContact CD1-CG 4.1Å; F749-L802 HydrophobicContact CB-CD2 3.95Å; F749-L802 HydrophobicContact CB-CG 4.43Å; F749-L802 HydrophobicContact CD2-CD2 4.03Å; I786-L802 WeakPolarHBondContact O-CD2 3.32Å; N789-L802 HydrophobicContact CB-CD1 3.69Å; N789-L802 HydrophobicContact CB-CD2 4.2Å; L802-D804 VanDerWaalsContact C-N 3.34Å; L802-D804 PolarHBondContact O-N 3.24Å; L802-K805 HydrophobicContact CD1-CB 4.5Å; L802-K805 CarbonylContact O-C 3.07Å; L802-K805 WeakPolarHBondContact O-CA 3.45Å; L802-K805 VanDerWaalsContact O-CB 3.28Å; L802-K805 WeakPolarHBondContact O-CB 3.49Å; L802-K805 PolarHBondContact O-N 3.47Å; L802-S806 PolarHBondContact O-N 3.43Å; L802-S806 PolarHBondContact O-OG 2.72Å; L802-S806 VanDerWaalsContact O-OG 3.07Å
803E92.2Very high92.8Very high5 Ų513.7 Ų13.72%0.0239%0.085CC..Hα-helixtrans-59.7-41.6177.7-57.297126.600112.2T529 N530 L531 T801 K805 S806 L807T529-E803 WeakPolarHBondContact CA-OE1 3.24Å; T529-E803 VanDerWaalsContact CB-OE2 3.27Å; T529-E803 WeakPolarHBondContact CB-OE2 3.46Å; T529-E803 PolarHBondContact OG1-OE1 3.2Å; T529-E803 PolarHBondContact OG1-OE2 2.84Å; N530-E803 PolarHBondContact N-OE1 2.65Å; L531-E803 HydrophobicContact CD1-CG 4.1Å; L531-E803 HydrophobicContact CG-CG 4.04Å; L531-E803 PolarHBondContact N-OE1 2.87Å; T801-E803 VanDerWaalsContact C-N 3.34Å; T801-E803 WeakPolarHBondContact CB-OE2 3.36Å; E803-K805 PolarHBondContact O-N 2.87Å; E803-S806 PolarHBondContact O-N 3.37Å; E803-L807 VanDerWaalsContact O-CB 3.28Å; E803-L807 WeakPolarHBondContact O-CB 3.47Å; E803-L807 VanDerWaalsContact O-CG 3.27Å; E803-L807 WeakPolarHBondContact O-CG 3.2Å; E803-L807 PolarHBondContact O-N 2.74Å
804D92.4Very high93Very high1 Ų113.2 Ų13.21%0.0058%0.08CC..Hα-helixtrans-57.2-38.2172.9-171.214.4000111.5K490 K504 I509 I799 T800 T801 L802 G808K490-D804 WeakPolarHBondContact CE-OD2 3.36Å; K490-D804 IonicContact NZ-OD1 2.86Å; K490-D804 IonicContact NZ-OD2 2.66Å; K490-D804 PolarHBondContact NZ-OD2 2.92Å; K504-D804 WeakPolarHBondContact CD-OD1 3.26Å; K504-D804 IonicContact NZ-OD1 3.55Å; K504-D804 PolarHBondContact NZ-OD1 2.95Å; I509-D804 HydrophobicContact CB-CB 4.04Å; I509-D804 HydrophobicContact CD1-CB 4.29Å; I509-D804 HydrophobicContact CG2-CB 4.03Å; I799-D804 WeakPolarHBondContact CA-OD2 3.45Å; I799-D804 HydrophobicContact CG2-CB 4.4Å; T800-D804 PolarHBondContact N-OD2 3.4Å; T801-D804 WeakPolarHBondContact OG1-CB 3.41Å; T801-D804 PolarHBondContact OG1-N 3.04Å; T801-D804 VanDerWaalsContact OG1-N 3.08Å; L802-D804 VanDerWaalsContact C-N 3.34Å; L802-D804 PolarHBondContact O-N 3.24Å; D804-G808 PolarHBondContact O-N 2.9Å
805K93.2Very high92.9Very high15 Ų1514 Ų147%0.0659%0.086CC..Hα-helixtrans-72.4-50.4176.6-158.9-177.1-174.4-166.50111.3E747 I799 T801 L802 E803 G808 C809E747-K805 VanDerWaalsContact CD-CE 3.44Å; E747-K805 VanDerWaalsContact CD-NZ 3.27Å; E747-K805 HydrophobicContact CG-CD 4.35Å; E747-K805 VanDerWaalsContact OE1-CE 3.27Å; E747-K805 WeakPolarHBondContact OE1-CE 3.4Å; E747-K805 IonicContact OE1-NZ 3.61Å; E747-K805 PolarHBondContact OE1-NZ 2.96Å; E747-K805 WeakPolarHBondContact OE2-CE 3.39Å; E747-K805 IonicContact OE2-NZ 2.67Å; E747-K805 PolarHBondContact OE2-NZ 3.47Å; I799-K805 HydrophobicContact CG2-CB 3.74Å; I799-K805 HydrophobicContact CG2-CG 4.17Å; T801-K805 PolarHBondContact O-N 3.37Å; L802-K805 HydrophobicContact CD1-CB 4.5Å; L802-K805 CarbonylContact O-C 3.07Å; L802-K805 WeakPolarHBondContact O-CA 3.45Å; L802-K805 VanDerWaalsContact O-CB 3.28Å; L802-K805 WeakPolarHBondContact O-CB 3.49Å; L802-K805 PolarHBondContact O-N 3.47Å; E803-K805 PolarHBondContact O-N 2.87Å; K805-G808 CarbonylContact O-C 3.51Å; K805-G808 WeakPolarHBondContact O-CA 3.3Å; K805-G808 PolarHBondContact O-N 3.48Å; K805-G808 VanDerWaalsContact O-N 3.15Å; K805-C809 WeakPolarHBondContact O-CB 3.4Å; K805-C809 PolarHBondContact O-N 3.4Å
806S93.9Very high93Very high0 Ų010.6 Ų10.60%07%0.071CC..Hα-helixtrans-66-41.9-174-56.40000112.2E747 F749 L802 E803 G808 C809 T810E747-S806 WeakPolarHBondContact O-CA 3.4Å; E747-S806 WeakPolarHBondContact O-CB 3.11Å; E747-S806 PolarHBondContact O-OG 3.3Å; F749-S806 WeakPolarHBondContact O-CB 2.99Å; F749-S806 PolarHBondContact O-OG 2.84Å; L802-S806 PolarHBondContact O-N 3.43Å; L802-S806 PolarHBondContact O-OG 2.72Å; L802-S806 VanDerWaalsContact O-OG 3.07Å; E803-S806 PolarHBondContact O-N 3.37Å; S806-G808 VanDerWaalsContact C-N 3.26Å; S806-G808 PolarHBondContact O-N 2.94Å; S806-C809 PolarHBondContact O-N 3Å; S806-C809 VanDerWaalsContact O-N 3.12Å; S806-T810 WeakPolarHBondContact O-CG2 3.45Å; S806-T810 PolarHBondContact O-N 2.94Å; S806-T810 PolarHBondContact O-OG1 3.41Å
807L90.8Very high93.1Very high6 Ų610.3 Ų10.33%0.0316%0.064CC..Hα-helixtrans-63.3-33.6173.9-70.6169.8000111.9Y505 L507 I509 A751 L754 E803 T810 Q811Y505-L807 HydrophobicContact CD2-CB 3.88Å; Y505-L807 HydrophobicContact CE2-CB 4.41Å; L507-L807 HydrophobicContact CB-CD1 3.81Å; L507-L807 HydrophobicContact CB-CD2 4.09Å; L507-L807 HydrophobicContact CD1-CD2 3.49Å; L507-L807 VanDerWaalsContact CD1-CD2 3.49Å; L507-L807 HydrophobicContact CG-CD2 4.44Å; I509-L807 HydrophobicContact CG2-CD1 3.84Å; A751-L807 HydrophobicContact CB-CD2 3.8Å; A751-L807 HydrophobicContact CB-CG 4.18Å; L754-L807 HydrophobicContact CD1-CD2 3.85Å; E803-L807 VanDerWaalsContact O-CB 3.28Å; E803-L807 WeakPolarHBondContact O-CB 3.47Å; E803-L807 VanDerWaalsContact O-CG 3.27Å; E803-L807 WeakPolarHBondContact O-CG 3.2Å; E803-L807 PolarHBondContact O-N 2.74Å; L807-T810 PolarHBondContact O-OG1 3.46Å; L807-Q811 WeakPolarHBondContact O-CG 3.37Å; L807-Q811 PolarHBondContact O-NE2 3.43Å
808G90.5Very high93.3Very high5 Ų510.1 Ų10.15%0.0526%0.062CC..Hα-helixtrans-72.1-38.8171.200000112.9N723 D804 K805 S806N723-G808 VanDerWaalsContact CB-O 3.28Å; N723-G808 WeakPolarHBondContact CB-O 3.17Å; N723-G808 PolarHBondContact ND2-O 2.86Å; D804-G808 PolarHBondContact O-N 2.9Å; K805-G808 CarbonylContact O-C 3.51Å; K805-G808 WeakPolarHBondContact O-CA 3.3Å; K805-G808 PolarHBondContact O-N 3.48Å; K805-G808 VanDerWaalsContact O-N 3.15Å; S806-G808 VanDerWaalsContact C-N 3.26Å; S806-G808 PolarHBondContact O-N 2.94Å
809C93.2Very high93.5Very high2 Ų211 Ų111%0.0147%0.067CC..Hα-helixtrans-68.8-45.4-176.2178.10000112.4E747 K805 S806 Q811 K812E747-C809 HydrophobicContact CB-CB 4.09Å; K805-C809 WeakPolarHBondContact O-CB 3.4Å; K805-C809 PolarHBondContact O-N 3.4Å; S806-C809 PolarHBondContact O-N 3Å; S806-C809 VanDerWaalsContact O-N 3.12Å; C809-Q811 PolarHBondContact O-N 3.47Å; C809-K812 WeakPolarHBondContact O-CB 3.45Å; C809-K812 WeakPolarHBondContact O-CG 3.42Å; C809-K812 PolarHBondContact O-N 3.06Å; C809-K812 PolarHBondContact O-NZ 2.92Å; C809-K812 PolarHBondContact SG-NZ 3.19Å
810T92.6Very high93.6Very high9 Ų911.9 Ų11.96%0.0557%0.072CC..Hα-helixtrans-63-24.7-17847.30000113.3A751 L755 S806 L807 K812 A813A751-T810 HydrophobicContact CB-CG2 3.76Å; L755-T810 HydrophobicContact CD1-CG2 4.05Å; L755-T810 HydrophobicContact CG-CG2 4.18Å; S806-T810 WeakPolarHBondContact O-CG2 3.45Å; S806-T810 PolarHBondContact O-N 2.94Å; S806-T810 PolarHBondContact O-OG1 3.41Å; L807-T810 PolarHBondContact O-OG1 3.46Å; T810-K812 PolarHBondContact O-N 3.04Å; T810-A813 VanDerWaalsContact O-CB 3.23Å; T810-A813 WeakPolarHBondContact O-CB 3.39Å; T810-A813 PolarHBondContact O-N 2.73Å
811Q91.9Very high93.8Very high52 Ų5212 Ų1224%0.2437%0.073CC..G310 helixtrans-57.2-21.8174.2-69.2-177.245.600114G719 N723 P724 G727 L807 C809 A813 G814G719-Q811 PolarHBondContact O-NE2 3.05Å; G719-Q811 VanDerWaalsContact O-NE2 3.07Å; G719-Q811 PolarHBondContact O-OE1 3.1Å; N723-Q811 HydrophobicContact CB-CB 4.28Å; P724-Q811 VanDerWaalsContact CG-OE1 3.29Å; G727-Q811 WeakPolarHBondContact CA-O 3.4Å; L807-Q811 WeakPolarHBondContact O-CG 3.37Å; L807-Q811 PolarHBondContact O-NE2 3.43Å; C809-Q811 PolarHBondContact O-N 3.47Å; Q811-A813 PolarHBondContact O-N 3.08Å; Q811-G814 PolarHBondContact O-N 3.04Å
812K95.8Very high94Very high0 Ų011.9 Ų11.90%07%0.072CC..G310 helixtrans-63.5-23.9174.6-63.1-168.1-57.1-75.60112.8L709 C711 N723 L726 G727 L742 E744 C809 T810 G814L709-K812 HydrophobicContact CB-CB 4.38Å; L709-K812 HydrophobicContact CB-CD 4.33Å; L709-K812 HydrophobicContact CD1-CB 4.13Å; L709-K812 VanDerWaalsContact CD1-O 3.28Å; L709-K812 WeakPolarHBondContact CD1-O 3.23Å; C711-K812 PolarHBondContact SG-NZ 2.85Å; N723-K812 HydrophobicContact CB-CG 3.77Å; L726-K812 HydrophobicContact CB-CB 4.37Å; L726-K812 HydrophobicContact CB-CG 4.2Å; L726-K812 HydrophobicContact CD1-CD 3.82Å; L726-K812 HydrophobicContact CD1-CG 4.18Å; G727-K812 WeakPolarHBondContact CA-O 3.43Å; L742-K812 HydrophobicContact CD1-CB 4.06Å; E744-K812 IonicContact OE2-NZ 3.61Å; E744-K812 PolarHBondContact OE2-NZ 2.89Å; C809-K812 WeakPolarHBondContact O-CB 3.45Å; C809-K812 WeakPolarHBondContact O-CG 3.42Å; C809-K812 PolarHBondContact O-N 3.06Å; C809-K812 PolarHBondContact O-NZ 2.92Å; C809-K812 PolarHBondContact SG-NZ 3.19Å; T810-K812 PolarHBondContact O-N 3.04Å; K812-G814 PolarHBondContact O-N 3.06Å
813A94.2Very high94.2Very high1 Ų119.7 Ų19.71%0.00810%0.101CC..G310 helixtrans-65.6-27.4177.200000112.8S730 L742 L755 T810 Q811 L833S730-A813 PolarHBondContact OG-O 3.06Å; S730-A813 VanDerWaalsContact OG-O 3.13Å; L742-A813 HydrophobicContact CD2-CB 4.12Å; L755-A813 HydrophobicContact CD2-CB 3.82Å; T810-A813 VanDerWaalsContact O-CB 3.23Å; T810-A813 WeakPolarHBondContact O-CB 3.39Å; T810-A813 PolarHBondContact O-N 2.73Å; Q811-A813 PolarHBondContact O-N 3.08Å; A813-L833 HydrophobicContact CB-CD1 4.32Å; A813-L833 HydrophobicContact CB-CD2 3.76Å
814G92.5Very high94.4Very high18 Ų1821 Ų2119%0.18611%0.106CC..THydrogen-bonded Turntrans72.3-149.5-168.600000111.1G727 Q811 K812G727-G814 WeakPolarHBondContact O-CA 3.5Å; Q811-G814 PolarHBondContact O-N 3.04Å; K812-G814 PolarHBondContact O-N 3.06Å
815S89.9Confident94.5Very high21 Ų2121.7 Ų21.715%0.14711%0.113CC..THydrogen-bonded Turntrans-111.73.2-179.3-240000112.1D731D731-S815 VanDerWaalsContact CG-N 3.33Å; D731-S815 PolarHBondContact OD1-N 3.27Å; D731-S815 PolarHBondContact OD2-N 2.85Å; D731-S815 PolarHBondContact OD2-OG 2.94Å
816S93.3Very high94.7Very high4 Ų425.1 Ų25.13%0.02813%0.129CC..PPolyproline II helixtrans-66.6148.2179-65.50000112.7D731 I734 L833D731-S816 WeakPolarHBondContact OD1-CB 3.11Å; D731-S816 PolarHBondContact OD1-N 2.94Å; D731-S816 PolarHBondContact OD1-OG 2.92Å; I734-S816 VanDerWaalsContact CD1-CB 3.48Å; S816-L833 WeakPolarHBondContact O-CD2 3.23Å
817V95.1Very high94.9Very high50 Ų5027 Ų2730%0.30314%0.136SC..PPolyproline II helixtrans-64.4131.7177.2176.10000110.9F543 H758 R760 V819F543-V817 HydrophobicContact CD1-CG2 3.81Å; F543-V817 HydrophobicContact CE1-CG1 4.24Å; F543-V817 HydrophobicContact CE1-CG2 4.14Å; F543-V817 HydrophobicContact CG-CG2 4.49Å; H758-V817 CarbonylContact O-C 3.57Å; H758-V817 WeakPolarHBondContact O-CA 3.2Å; H758-V817 WeakPolarHBondContact O-CG1 3.47Å; R760-V817 HydrophobicContact CB-CG1 3.54Å; R760-V817 HydrophobicContact CG-CG1 4.14Å; V817-V819 PolarHBondContact O-N 2.99Å
818V97.7Very high95.2Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-72117.4170178.30000108.9H758 R760 T764 V821 L833 L835H758-V818 HydrophobicContact CB-CG2 4.06Å; H758-V818 PolarHBondContact O-N 3.22Å; R760-V818 PolarHBondContact N-O 2.63Å; T764-V818 HydrophobicContact CG2-CG1 4.01Å; V818-V821 HydrophobicContact CG1-CG2 4.43Å; V818-L833 WeakPolarHBondContact CA-O 2.97Å; V818-L833 HydrophobicContact CG2-CD2 3.66Å; V818-L833 HydrophobicContact CG2-CG 4.22Å; V818-L835 HydrophobicContact CG1-CD1 3.9Å; V818-L835 HydrophobicContact CG1-CG 3.84Å; V818-L835 HydrophobicContact CG2-CD1 4.34Å; V818-L835 HydrophobicContact CG2-CG 4.46Å
819V98Very high95.4Very high19 Ų1935.8 Ų35.812%0.11517%0.173CC..EExtended strand (participates in β ladder)trans-100.7-21.4-172.8-610000114.4V817 T830 L833V817-V819 PolarHBondContact O-N 2.99Å; V819-T830 HydrophobicContact CB-CG2 4.19Å; V819-T830 HydrophobicContact CG2-CG2 3.96Å; V819-L833 WeakPolarHBondContact CG2-O 3.24Å; V819-L833 PolarHBondContact N-O 2.82Å
820D98.4Very high95.6Very high26 Ų2637.9 Ų37.914%0.13919%0.186CC..EExtended strand (participates in β ladder)trans-162.3161.8176.7-152-0.7000111.8K767 L822 N834 L835K767-D820 IonicContact NZ-OD1 3.51Å; K767-D820 PolarHBondContact NZ-OD1 3.33Å; D820-L822 HydrophobicContact CB-CD1 4.4Å; D820-N834 WeakPolarHBondContact CB-OD1 3.17Å; D820-N834 WeakPolarHBondContact O-CA 3.4Å; D820-L835 PolarHBondContact O-N 3.42Å
821V98.4Very high95.9Very high9 Ų941.4 Ų41.46%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-132.3119.8175.9-177.60000108.5T764 K767 L768 M771 V818 L835T764-V821 HydrophobicContact CG2-CG2 4.23Å; K767-V821 HydrophobicContact CB-CB 3.75Å; K767-V821 HydrophobicContact CB-CG1 4.31Å; K767-V821 HydrophobicContact CB-CG2 4.12Å; K767-V821 HydrophobicContact CD-CB 4.35Å; L768-V821 HydrophobicContact CB-CG2 4.02Å; M771-V821 HydrophobicContact CB-CG1 3.99Å; M771-V821 HydrophobicContact CE-CG1 4.03Å; M771-V821 HydrophobicContact CG-CG1 4.38Å; M771-V821 HydrophobicContact SD-CG1 3.62Å; V818-V821 HydrophobicContact CG1-CG2 4.43Å; V821-L835 CarbonylContact C-O 3.57Å; V821-L835 WeakPolarHBondContact CA-O 3.36Å; V821-L835 HydrophobicContact CG1-CB 4.28Å; V821-L835 HydrophobicContact CG2-CB 4.22Å; V821-L835 HydrophobicContact CG2-CD1 4.25Å
822L98.4Very high96.1Very high5 Ų539.2 Ų39.23%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-103142-173.4-6986000111.2D820 E826 L828 N834 L835 L836 S837D820-L822 HydrophobicContact CB-CD1 4.4Å; L822-E826 WeakPolarHBondContact CA-OE2 3.34Å; L822-E826 HydrophobicContact CB-CB 4.24Å; L822-E826 HydrophobicContact CD2-CB 4.21Å; L822-L828 HydrophobicContact CD1-CD2 4.16Å; L822-L828 HydrophobicContact CD2-CD2 4.12Å; L822-L828 HydrophobicContact CD2-CG 4.42Å; L822-N834 HydrophobicContact CD1-CB 3.84Å; L822-L835 WeakPolarHBondContact CD1-O 3.28Å; L822-L835 PolarHBondContact N-O 3.09Å; L822-L836 HydrophobicContact CB-CD1 3.76Å; L822-S837 WeakPolarHBondContact O-CB 3.49Å; L822-S837 PolarHBondContact O-N 3.47Å
823R96.6Very high96.3Very high166 Ų16639.2 Ų39.263%0.62620%0.2SC*.PPolyproline II helixtrans-79.5159.9169.1-63.8-179.7174.5-177.3-3.1111G825 E826R823-G825 PolarHBondContact O-N 3.48Å; R823-E826 HydrophobicContact CB-CG 4.09Å; R823-E826 PolarHBondContact N-OE2 3.43Å; R823-E826 WeakPolarHBondContact O-CB 3.42Å; R823-E826 PolarHBondContact O-N 3.26Å
824Y95.5Very high96.5Very high33 Ų3339.1 Ų39.113%0.12920%0.2CC..THydrogen-bonded Turntrans-54.1128173.9-172.5-95.4000110.8N622 M626 E826 S837 A838 V844 A848 F936N622-Y824 HydrophobicContact CB-CD1 4.4Å; N622-Y824 HydrophobicContact CB-CE1 3.97Å; M626-Y824 HydrophobicContact CE-CE2 4.39Å; M626-Y824 WeakPolarHBondContact CE-OH 3.34Å; Y824-E826 VanDerWaalsContact C-N 3.35Å; Y824-S837 WeakPolarHBondContact CA-O 3.33Å; Y824-S837 WeakPolarHBondContact CB-O 3.38Å; Y824-A838 HydrophobicContact CD2-CB 4.34Å; Y824-V844 HydrophobicContact CE2-CG1 4.23Å; Y824-A848 HydrophobicContact CD2-CB 4.06Å; Y824-A848 HydrophobicContact CE2-CB 3.74Å; Y824-F936 HydrophobicContact CD2-CB 4.4Å; Y824-F936 HydrophobicContact CE1-CB 4Å; Y824-F936 HydrophobicContact CE2-CB 3.78Å; Y824-F936 PolarHBondContact OH-N 3.34Å
825G95.1Very high96.8Very high14 Ų1438.3 Ų38.314%0.14419%0.191CC..THydrogen-bonded Turntrans86.8-8.5-178.500000115.4T625 N629 R823T625-G825 WeakPolarHBondContact CG2-O 3.43Å; N629-G825 PolarHBondContact ND2-O 2.89Å; R823-G825 PolarHBondContact O-N 3.48Å
826E97.4Very high97.2Very high87 Ų8737.3 Ų37.341%0.40718%0.184SC..  trans-74.4155.8170.3-66-171.4136.900111.7L822 R823 Y824 A852L822-E826 WeakPolarHBondContact CA-OE2 3.34Å; L822-E826 HydrophobicContact CB-CB 4.24Å; L822-E826 HydrophobicContact CD2-CB 4.21Å; R823-E826 HydrophobicContact CB-CG 4.09Å; R823-E826 PolarHBondContact N-OE2 3.43Å; R823-E826 WeakPolarHBondContact O-CB 3.42Å; R823-E826 PolarHBondContact O-N 3.26Å; Y824-E826 VanDerWaalsContact C-N 3.35Å; E826-A852 WeakPolarHBondContact O-CA 3.02Å
827R97.2Very high97.3Very high39 Ų3938.1 Ų38.115%0.14719%0.19CC..  trans-110.3149.7178.1-60.7-169.874.7-155.57.7111.6N629 R632 A852N629-R827 WeakPolarHBondContact OD1-CD 3.49Å; N629-R827 WeakPolarHBondContact OD1-CG 3.3Å; R632-R827 PolarHBondContact O-NH1 3.33Å; R632-R827 PolarHBondContact O-NH2 2.99Å; R827-A852 WeakPolarHBondContact CA-O 3.41Å
828L98.1Very high97.3Very high17 Ų1735.8 Ų35.89%0.08918%0.176CC..  trans-61133.6179.5-67.6161.4000112.5K706 T739 V741 L822 N834 A852K706-L828 HydrophobicContact CB-CD1 4.11Å; K706-L828 HydrophobicContact CD-CB 4.42Å; K706-L828 HydrophobicContact CD-CD1 3.83Å; K706-L828 HydrophobicContact CG-CD1 4.32Å; T739-L828 HydrophobicContact CG2-CD1 4.29Å; T739-L828 HydrophobicContact CG2-CD2 4.25Å; V741-L828 HydrophobicContact CG2-CD1 3.67Å; V741-L828 HydrophobicContact CG2-CD2 3.54Å; V741-L828 HydrophobicContact CG2-CG 4.15Å; L822-L828 HydrophobicContact CD1-CD2 4.16Å; L822-L828 HydrophobicContact CD2-CD2 4.12Å; L822-L828 HydrophobicContact CD2-CG 4.42Å; L828-N834 HydrophobicContact CD2-CB 3.83Å; L828-A852 HydrophobicContact CG-CB 4.35Å; L828-A852 PolarHBondContact N-O 2.84Å
829K95.2Very high97.1Very high179 Ų17936.6 Ų36.678%0.77818%0.181SC*.  trans-125.1-27.6178.3-62.4175.6-171.7168.20113.6
830T96.8Very high96.7Very high47 Ų4736.5 Ų36.529%0.28818%0.184SC..SBendtrans-118122.2-170.4-48.90000110.2V819 N834V819-T830 HydrophobicContact CB-CG2 4.19Å; V819-T830 HydrophobicContact CG2-CG2 3.96Å; T830-N834 PolarHBondContact O-ND2 2.77Å; T830-N834 PolarHBondContact O-OD1 2.82Å
831P97.7Very high96.4Very high83 Ų8339.3 Ų39.354%0.53920%0.199SC..SBendtrans-63.6146.9171.2-19.932.3000112.1T739T739-P831 WeakPolarHBondContact OG1-CA 3.43Å
832G97.9Very high96.2Very high5 Ų540.8 Ų40.85%0.05221%0.207CC..EExtended strand (participates in β ladder)trans123.2-169.9-173.200000113.2G738 T740 N834G738-G832 PolarHBondContact O-N 3.45Å; T740-G832 PolarHBondContact N-O 3Å; G832-N834 PolarHBondContact O-N 3.31Å; G832-N834 PolarHBondContact O-ND2 2.78Å
833L98.5Very high96.1Very high0 Ų041.5 Ų41.50%021%0.213CC..EExtended strand (participates in β ladder)trans-77116.6174.317665.2000109.5I734 A813 S816 V818 V819I734-L833 HydrophobicContact CD1-CB 3.6Å; A813-L833 HydrophobicContact CB-CD1 4.32Å; A813-L833 HydrophobicContact CB-CD2 3.76Å; S816-L833 WeakPolarHBondContact O-CD2 3.23Å; V818-L833 WeakPolarHBondContact CA-O 2.97Å; V818-L833 HydrophobicContact CG2-CD2 3.66Å; V818-L833 HydrophobicContact CG2-CG 4.22Å; V819-L833 WeakPolarHBondContact CG2-O 3.24Å; V819-L833 PolarHBondContact N-O 2.82Å
834N98.7Very high96.1Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-110.9151.3176.4-67.5-109.5000110T740 V741 L742 D820 L822 L828 T830 G832T740-N834 PolarHBondContact O-N 2.84Å; V741-N834 VanDerWaalsContact CA-O 3.27Å; V741-N834 WeakPolarHBondContact CA-O 3.18Å; V741-N834 HydrophobicContact CG1-CB 4.42Å; V741-N834 HydrophobicContact CG2-CB 4.33Å; L742-N834 PolarHBondContact N-O 3.21Å; D820-N834 WeakPolarHBondContact CB-OD1 3.17Å; D820-N834 WeakPolarHBondContact O-CA 3.4Å; L822-N834 HydrophobicContact CD1-CB 3.84Å; L828-N834 HydrophobicContact CD2-CB 3.83Å; T830-N834 PolarHBondContact O-ND2 2.77Å; T830-N834 PolarHBondContact O-OD1 2.82Å; G832-N834 PolarHBondContact O-N 3.31Å; G832-N834 PolarHBondContact O-ND2 2.78Å
835L98.5Very high96.1Very high0 Ų032.7 Ų32.70%018%0.181CC..EExtended strand (participates in β ladder)trans-107.7143.4170.5-54179.9000110L742 M748 L755 L768 M771 V818 D820 V821 L822L742-L835 HydrophobicContact CB-CD2 3.82Å; L742-L835 HydrophobicContact CD2-CD2 4.28Å; L742-L835 HydrophobicContact CG-CD2 4.45Å; L742-L835 CarbonylContact O-C 3.6Å; L742-L835 VanDerWaalsContact O-CA 3.31Å; L742-L835 WeakPolarHBondContact O-CA 3.44Å; M748-L835 HydrophobicContact CE-CD2 4.42Å; L755-L835 HydrophobicContact CB-CD1 4.41Å; L755-L835 HydrophobicContact CD1-CD1 4.29Å; L755-L835 HydrophobicContact CD1-CD2 4.37Å; L768-L835 HydrophobicContact CD1-CD1 3.56Å; L768-L835 HydrophobicContact CD2-CD1 3.86Å; L768-L835 HydrophobicContact CG-CD1 4.25Å; M771-L835 HydrophobicContact CE-CB 4.07Å; M771-L835 HydrophobicContact CE-CD1 4.35Å; V818-L835 HydrophobicContact CG1-CD1 3.9Å; V818-L835 HydrophobicContact CG1-CG 3.84Å; V818-L835 HydrophobicContact CG2-CD1 4.34Å; V818-L835 HydrophobicContact CG2-CG 4.46Å; D820-L835 PolarHBondContact O-N 3.42Å; V821-L835 CarbonylContact C-O 3.57Å; V821-L835 WeakPolarHBondContact CA-O 3.36Å; V821-L835 HydrophobicContact CG1-CB 4.28Å; V821-L835 HydrophobicContact CG2-CB 4.22Å; V821-L835 HydrophobicContact CG2-CD1 4.25Å; L822-L835 WeakPolarHBondContact CD1-O 3.28Å; L822-L835 PolarHBondContact N-O 3.09Å
836L98.3Very high96.3Very high1 Ų132 Ų321%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-124.7130.3179.3177.865.9000111.2V741 L742 T743 L822 A838 A848 L849 A852V741-L836 HydrophobicContact CG1-CB 3.68Å; L742-L836 PolarHBondContact O-N 3.36Å; T743-L836 WeakPolarHBondContact CA-O 3.24Å; T743-L836 PolarHBondContact OG1-O 2.78Å; T743-L836 VanDerWaalsContact OG1-O 3.13Å; L822-L836 HydrophobicContact CB-CD1 3.76Å; L836-A838 PolarHBondContact O-N 3.18Å; L836-A848 HydrophobicContact CD2-CB 3.82Å; L836-L849 HydrophobicContact CD2-CD2 3.91Å; L836-L849 HydrophobicContact CD2-CG 4.3Å; L836-A852 HydrophobicContact CD2-CB 4.08Å
837S96.8Very high96.3Very high20 Ų2027.9 Ų27.914%0.1416%0.155CC..  trans-75.5104.5175.8-169.40000111.2F775 L822 Y824F775-S837 WeakPolarHBondContact CE2-OG 3.36Å; L822-S837 WeakPolarHBondContact O-CB 3.49Å; L822-S837 PolarHBondContact O-N 3.47Å; Y824-S837 WeakPolarHBondContact CA-O 3.33Å; Y824-S837 WeakPolarHBondContact CB-O 3.38Å
838A95.3Very high96.4Very high1 Ų126.2 Ų26.21%0.00815%0.15CC..  trans-151.9156.7170.200000110.7T743 V745 Y824 L836 A848T743-A838 VanDerWaalsContact OG1-CB 3.29Å; T743-A838 WeakPolarHBondContact OG1-CB 3.2Å; V745-A838 PolarHBondContact N-O 3.37Å; V745-A838 VanDerWaalsContact N-O 3.08Å; Y824-A838 HydrophobicContact CD2-CB 4.34Å; L836-A838 PolarHBondContact O-N 3.18Å; A838-A848 HydrophobicContact CB-CB 3.74Å
839P93.1Very high96.4Very high17 Ų1725.4 Ų25.411%0.1115%0.145CC..  trans-68.7159.1176.731.1-37000110.9F775 N841 V844 A845 F936F775-P839 HydrophobicContact CE1-CB 4.03Å; F775-P839 HydrophobicContact CZ-CB 4.16Å; F775-P839 VanDerWaalsContact CZ-N 3.33Å; P839-N841 HydrophobicContact CG-CB 4.48Å; P839-N841 PolarHBondContact O-N 3.11Å; P839-V844 HydrophobicContact CG-CB 4.03Å; P839-V844 HydrophobicContact CG-CG1 3.6Å; P839-A845 WeakPolarHBondContact O-CB 3.48Å; P839-F936 HydrophobicContact CB-CE2 4.35Å; P839-F936 HydrophobicContact CG-CD2 3.77Å; P839-F936 HydrophobicContact CG-CE2 3.89Å; P839-F936 HydrophobicContact CG-CG 4.41Å
840G88.7Confident96.5Very high17 Ų1716.9 Ų16.918%0.17511%0.108CC..SBendtrans-72.928.1173.600000114.5
841N92.8Very high96.6Very high85 Ų8514.7 Ų14.746%0.45510%0.095SC..  trans-90.3116.8173174-92.5000108.7P839 A843 V844 A845P839-N841 HydrophobicContact CG-CB 4.48Å; P839-N841 PolarHBondContact O-N 3.11Å; N841-A843 PolarHBondContact O-N 3.42Å; N841-A843 PolarHBondContact OD1-N 3.04Å; N841-V844 HydrophobicContact CB-CB 4.3Å; N841-V844 HydrophobicContact CB-CG2 4.44Å; N841-V844 PolarHBondContact O-N 3.15Å; N841-V844 VanDerWaalsContact O-N 3.08Å; N841-V844 WeakPolarHBondContact OD1-CG2 3.35Å; N841-V844 PolarHBondContact OD1-N 3.07Å; N841-V844 VanDerWaalsContact OD1-N 3.1Å; N841-A845 VanDerWaalsContact O-CB 3.32Å; N841-A845 WeakPolarHBondContact O-CB 3.25Å; N841-A845 PolarHBondContact O-N 2.75Å
842D94.1Very high96.6Very high41 Ų4110.9 Ų10.922%0.2197%0.07CC..Hα-helixtrans-43.5-45.9-175-56.118.7000112.8G712 T846 F859 T865G712-D842 WeakPolarHBondContact CA-OD2 3.3Å; D842-T846 WeakPolarHBondContact O-CB 3.27Å; D842-T846 PolarHBondContact O-N 2.92Å; D842-T846 PolarHBondContact O-OG1 2.59Å; D842-F859 HydrophobicContact CB-CE2 4.12Å; D842-F859 HydrophobicContact CB-CZ 3.91Å; D842-T865 WeakPolarHBondContact OD2-CG2 3.22Å
843A95.7Very high96.6Very high19 Ų1910.7 Ų10.716%0.1577%0.069CC..Hα-helixtrans-72.4-46.9-174.700000112.7N841 S847 Y867 A934N841-A843 PolarHBondContact O-N 3.42Å; N841-A843 PolarHBondContact OD1-N 3.04Å; A843-S847 WeakPolarHBondContact O-CB 3.45Å; A843-S847 PolarHBondContact O-N 2.76Å; A843-S847 VanDerWaalsContact O-N 3.1Å; A843-S847 PolarHBondContact O-OG 3.33Å; A843-Y867 VanDerWaalsContact CA-CZ 3.41Å; A843-Y867 HydrophobicContact CB-CD2 4.16Å; A843-Y867 HydrophobicContact CB-CE1 4.14Å; A843-Y867 HydrophobicContact CB-CE2 3.47Å; A843-Y867 VanDerWaalsContact CB-CE2 3.47Å; A843-Y867 VanDerWaalsContact CB-CZ 3.48Å; A843-Y867 PolarHBondContact O-OH 3.43Å; A843-A934 HydrophobicContact CB-CB 3.56Å
844V96.2Very high96.7Very high15 Ų1510.7 Ų10.79%0.0917%0.069CC..Hα-helixtrans-68.3-42.3180175.30000110.7Y824 P839 N841 S847 A848 A934 F936Y824-V844 HydrophobicContact CE2-CG1 4.23Å; P839-V844 HydrophobicContact CG-CB 4.03Å; P839-V844 HydrophobicContact CG-CG1 3.6Å; N841-V844 HydrophobicContact CB-CB 4.3Å; N841-V844 HydrophobicContact CB-CG2 4.44Å; N841-V844 PolarHBondContact O-N 3.15Å; N841-V844 VanDerWaalsContact O-N 3.08Å; N841-V844 WeakPolarHBondContact OD1-CG2 3.35Å; N841-V844 PolarHBondContact OD1-N 3.07Å; N841-V844 VanDerWaalsContact OD1-N 3.1Å; V844-S847 PolarHBondContact O-N 3.1Å; V844-A848 WeakPolarHBondContact O-CB 3.46Å; V844-A848 PolarHBondContact O-N 3.28Å; V844-A934 HydrophobicContact CG2-CB 4.06Å; V844-F936 HydrophobicContact CG1-CB 3.6Å; V844-F936 HydrophobicContact CG1-CD2 4.18Å; V844-F936 HydrophobicContact CG1-CG 4.19Å
845A96.9Very high96.7Very high0 Ų010.9 Ų10.90%07%0.069CC..Hα-helixtrans-64.5-49.4-179.800000110.9E710 T743 E744 P839 N841 S847 A848 L849E710-A845 VanDerWaalsContact CD-CB 3.46Å; E710-A845 WeakPolarHBondContact OE1-CA 3.48Å; E710-A845 WeakPolarHBondContact OE1-CB 3.49Å; E710-A845 VanDerWaalsContact OE1-O 3.09Å; E710-A845 VanDerWaalsContact OE2-CB 3.26Å; E710-A845 WeakPolarHBondContact OE2-CB 3.46Å; T743-A845 HydrophobicContact CG2-CB 4.15Å; E744-A845 HydrophobicContact CG-CB 4.48Å; P839-A845 WeakPolarHBondContact O-CB 3.48Å; N841-A845 VanDerWaalsContact O-CB 3.32Å; N841-A845 WeakPolarHBondContact O-CB 3.25Å; N841-A845 PolarHBondContact O-N 2.75Å; A845-S847 VanDerWaalsContact C-N 3.26Å; A845-S847 PolarHBondContact O-N 3.07Å; A845-A848 WeakPolarHBondContact O-CA 3.34Å; A845-A848 VanDerWaalsContact O-CB 3.31Å; A845-A848 WeakPolarHBondContact O-CB 3.15Å; A845-A848 PolarHBondContact O-N 3.42Å; A845-L849 PolarHBondContact O-N 2.91Å
846T97.9Very high96.7Very high0 Ų010.9 Ų10.90%07%0.069CC..Hα-helixtrans-56.4-42.6175.7-60.60000111.2E710 D842 A850 V857 Y867 T873E710-T846 PolarHBondContact OE1-N 3.05Å; E710-T846 VanDerWaalsContact OE1-N 3.08Å; D842-T846 WeakPolarHBondContact O-CB 3.27Å; D842-T846 PolarHBondContact O-N 2.92Å; D842-T846 PolarHBondContact O-OG1 2.59Å; T846-A850 WeakPolarHBondContact O-CB 3.16Å; T846-A850 PolarHBondContact O-N 2.82Å; T846-A850 VanDerWaalsContact O-N 3.08Å; T846-V857 HydrophobicContact CG2-CB 4.31Å; T846-V857 HydrophobicContact CG2-CG1 4.22Å; T846-V857 HydrophobicContact CG2-CG2 4.09Å; T846-Y867 HydrophobicContact CG2-CE1 3.97Å; T846-T873 HydrophobicContact CG2-CG2 4.47Å
847S98.1Very high96.7Very high0 Ų010.8 Ų10.80%07%0.069CC..Hα-helixtrans-67.2-36.7176.9-59.90000112.1M626 A843 V844 A845 G851 A934M626-S847 WeakPolarHBondContact CE-O 3.49Å; A843-S847 WeakPolarHBondContact O-CB 3.45Å; A843-S847 PolarHBondContact O-N 2.76Å; A843-S847 VanDerWaalsContact O-N 3.1Å; A843-S847 PolarHBondContact O-OG 3.33Å; V844-S847 PolarHBondContact O-N 3.1Å; A845-S847 VanDerWaalsContact C-N 3.26Å; A845-S847 PolarHBondContact O-N 3.07Å; S847-G851 PolarHBondContact O-N 2.93Å; S847-A934 WeakPolarHBondContact CB-O 3.49Å; S847-A934 PolarHBondContact OG-N 2.98Å; S847-A934 PolarHBondContact OG-O 3.43Å
848A98.3Very high96.8Very high4 Ų49.9 Ų9.93%0.0336%0.062CC..Hα-helixtrans-63.8-47.7176.100000111.8Y824 L836 A838 V844 A845 G851 A852Y824-A848 HydrophobicContact CD2-CB 4.06Å; Y824-A848 HydrophobicContact CE2-CB 3.74Å; L836-A848 HydrophobicContact CD2-CB 3.82Å; A838-A848 HydrophobicContact CB-CB 3.74Å; V844-A848 WeakPolarHBondContact O-CB 3.46Å; V844-A848 PolarHBondContact O-N 3.28Å; A845-A848 WeakPolarHBondContact O-CA 3.34Å; A845-A848 VanDerWaalsContact O-CB 3.31Å; A845-A848 WeakPolarHBondContact O-CB 3.15Å; A845-A848 PolarHBondContact O-N 3.42Å; A848-G851 CarbonylContact O-C 3.6Å; A848-G851 PolarHBondContact O-N 3.46Å; A848-A852 PolarHBondContact O-N 3.26Å
849L98.7Very high96.9Very high0 Ų09.8 Ų9.80%06%0.062CC..Hα-helixtrans-60.9-47.4177.2-70.6171.8000111.8E710 V741 T743 L836 A845 G851 A852 G853 C854 V857E710-L849 VanDerWaalsContact CD-CD1 3.43Å; E710-L849 HydrophobicContact CG-CD1 3.33Å; E710-L849 WeakPolarHBondContact OE1-CD1 3.42Å; V741-L849 HydrophobicContact CB-CD2 3.75Å; V741-L849 HydrophobicContact CG1-CD2 3.63Å; T743-L849 HydrophobicContact CG2-CD1 3.73Å; T743-L849 HydrophobicContact CG2-CD2 3.88Å; T743-L849 HydrophobicContact CG2-CG 3.78Å; L836-L849 HydrophobicContact CD2-CD2 3.91Å; L836-L849 HydrophobicContact CD2-CG 4.3Å; A845-L849 PolarHBondContact O-N 2.91Å; L849-G851 VanDerWaalsContact C-N 3.33Å; L849-G851 PolarHBondContact O-N 2.7Å; L849-A852 WeakPolarHBondContact O-CB 3.34Å; L849-A852 PolarHBondContact O-N 3.35Å; L849-G853 PolarHBondContact O-N 3.25Å; L849-C854 HydrophobicContact CB-CB 4.46Å; L849-C854 VanDerWaalsContact O-CB 3.29Å; L849-C854 WeakPolarHBondContact O-CB 3.35Å; L849-C854 PolarHBondContact O-N 3.42Å; L849-C854 VanDerWaalsContact O-N 3.14Å; L849-C854 PolarHBondContact O-SG 3.41Å; L849-V857 HydrophobicContact CB-CG2 4.04Å; L849-V857 HydrophobicContact CD1-CG1 4.16Å; L849-V857 HydrophobicContact CD1-CG2 4.24Å
850A98.5Very high97.2Very high0 Ų09 Ų90%06%0.057CC..Hα-helixtrans-60.9-44.1176.100000110.8H633 T846 A852 G853 F870 V871H633-A850 PolarHBondContact CD2-O 3.44Å; H633-A850 PolarHBondContact NE2-O 2.77Å; T846-A850 WeakPolarHBondContact O-CB 3.16Å; T846-A850 PolarHBondContact O-N 2.82Å; T846-A850 VanDerWaalsContact O-N 3.08Å; A850-A852 VanDerWaalsContact C-N 3.3Å; A850-A852 PolarHBondContact O-N 3.02Å; A850-G853 WeakPolarHBondContact O-CA 3.41Å; A850-G853 PolarHBondContact O-N 2.89Å; A850-F870 HydrophobicContact CB-CD1 4.41Å; A850-F870 HydrophobicContact CB-CD2 4.14Å; A850-F870 HydrophobicContact CB-CE1 3.77Å; A850-F870 HydrophobicContact CB-CE2 3.46Å; A850-F870 VanDerWaalsContact CB-CE2 3.46Å; A850-F870 HydrophobicContact CB-CZ 3.25Å; A850-V871 HydrophobicContact CB-CB 4.39Å; A850-V871 HydrophobicContact CB-CG1 3.86Å; A850-V871 HydrophobicContact CB-CG2 3.64Å
851G98.1Very high97.5Very high1 Ų18.2 Ų8.21%0.015%0.048CC..Hα-helixtrans-60.6-34.8174.400000113.7N629 S847 A848 L849 G853N629-G851 WeakPolarHBondContact CB-O 3.28Å; S847-G851 PolarHBondContact O-N 2.93Å; A848-G851 CarbonylContact O-C 3.6Å; A848-G851 PolarHBondContact O-N 3.46Å; L849-G851 VanDerWaalsContact C-N 3.33Å; L849-G851 PolarHBondContact O-N 2.7Å; G851-G853 PolarHBondContact O-N 3.28Å
852A98.4Very high97.6Very high2 Ų24.5 Ų4.52%0.0173%0.03CC..Hα-helixtrans-68.1-12.7175.300000113.1E826 R827 L828 L836 A848 L849 A850E826-A852 WeakPolarHBondContact O-CA 3.02Å; R827-A852 WeakPolarHBondContact CA-O 3.41Å; L828-A852 HydrophobicContact CG-CB 4.35Å; L828-A852 PolarHBondContact N-O 2.84Å; L836-A852 HydrophobicContact CD2-CB 4.08Å; A848-A852 PolarHBondContact O-N 3.26Å; L849-A852 WeakPolarHBondContact O-CB 3.34Å; L849-A852 PolarHBondContact O-N 3.35Å; A850-A852 VanDerWaalsContact C-N 3.3Å; A850-A852 PolarHBondContact O-N 3.02Å
853G98.1Very high97.6Very high2 Ų28.5 Ų8.52%0.0214%0.042CC..THydrogen-bonded Turntrans105.717.4177.600000114.4L849 A850 G851 H855L849-G853 PolarHBondContact O-N 3.25Å; A850-G853 WeakPolarHBondContact O-CA 3.41Å; A850-G853 PolarHBondContact O-N 2.89Å; G851-G853 PolarHBondContact O-N 3.28Å; G853-H855 PolarHBondContact O-N 3.33Å
854C98.8Very high97.4Very high0 Ų08.1 Ų8.10%04%0.04CC..  trans-67.9126.6171.7-67.30000110.7H633 K706 G708 V741 L849 M856H633-C854 PolarHBondContact NE2-O 3.02Å; H633-C854 VanDerWaalsContact NE2-O 3.14Å; K706-C854 CarbonylContact O-C 3.55Å; K706-C854 WeakPolarHBondContact O-CA 3.25Å; G708-C854 PolarHBondContact N-SG 3.42Å; V741-C854 VanDerWaalsContact CG2-SG 3.59Å; L849-C854 HydrophobicContact CB-CB 4.46Å; L849-C854 VanDerWaalsContact O-CB 3.29Å; L849-C854 WeakPolarHBondContact O-CB 3.35Å; L849-C854 PolarHBondContact O-N 3.42Å; L849-C854 VanDerWaalsContact O-N 3.14Å; L849-C854 PolarHBondContact O-SG 3.41Å; C854-M856 VanDerWaalsContact C-N 3.28Å; C854-M856 PolarHBondContact O-N 3.39Å
855H98.8Very high97.3Very high3 Ų38.5 Ų8.51%0.0144%0.043CC..SBendtrans-71.7-28.5-178.7-5787.4000112.2V565 V567 N635 K706 G853V565-H855 PolarHBondContact O-CD2 3.19Å; V565-H855 PolarHBondContact O-NE2 2.99Å; V567-H855 HydrophobicContact CG1-CB 4.48Å; V567-H855 HydrophobicContact CG2-CB 4.27Å; N635-H855 PolarHBondContact ND2-O 2.91Å; N635-H855 VanDerWaalsContact ND2-O 3.11Å; K706-H855 PolarHBondContact N-ND1 3.42Å; K706-H855 PolarHBondContact O-N 3.45Å; G853-H855 PolarHBondContact O-N 3.33Å
856M98.7Very high97.2Very high0 Ų010.6 Ų10.60%06%0.056CC..EExtended strand (participates in β ladder)trans-144.4154177.1-56.6-173.4-173.300110.2V567 F707 G708 C854 P872 V874 F917 A918V567-M856 HydrophobicContact CB-CE 4.16Å; V567-M856 HydrophobicContact CG1-CE 4.08Å; V567-M856 HydrophobicContact CG2-CE 3.86Å; V567-M856 HydrophobicContact CG2-CG 4.42Å; F707-M856 HydrophobicContact CD1-CB 4.21Å; F707-M856 HydrophobicContact CE1-CB 4.48Å; F707-M856 HydrophobicContact CE1-SD 4.22Å; G708-M856 PolarHBondContact N-O 3Å; C854-M856 VanDerWaalsContact C-N 3.28Å; C854-M856 PolarHBondContact O-N 3.39Å; M856-P872 VanDerWaalsContact CA-O 3.29Å; M856-P872 WeakPolarHBondContact CA-O 3.36Å; M856-P872 HydrophobicContact CG-CB 4.11Å; M856-V874 HydrophobicContact SD-CG2 4.5Å; M856-F917 HydrophobicContact CE-CB 4Å; M856-F917 HydrophobicContact SD-CB 4.24Å; M856-A918 HydrophobicContact CE-CB 3.9Å; M856-A918 VanDerWaalsContact CE-N 3.35Å
857V98.7Very high97Very high0 Ų011.8 Ų11.80%06%0.061CC..EExtended strand (participates in β ladder)trans-112.9124.5170.11750000108.9G708 E710 T846 L849 F859 V871 P872 T873 V874G708-V857 CarbonylContact O-C 3.6Å; G708-V857 WeakPolarHBondContact O-CA 3.21Å; E710-V857 HydrophobicContact CB-CG1 3.86Å; E710-V857 HydrophobicContact CG-CG1 3.38Å; T846-V857 HydrophobicContact CG2-CB 4.31Å; T846-V857 HydrophobicContact CG2-CG1 4.22Å; T846-V857 HydrophobicContact CG2-CG2 4.09Å; L849-V857 HydrophobicContact CB-CG2 4.04Å; L849-V857 HydrophobicContact CD1-CG1 4.16Å; L849-V857 HydrophobicContact CD1-CG2 4.24Å; V857-F859 HydrophobicContact CG1-CD2 4.42Å; V857-V871 HydrophobicContact CG2-CG2 3.97Å; V857-P872 PolarHBondContact N-O 3.17Å; V857-T873 HydrophobicContact CB-CG2 4.29Å; V857-T873 HydrophobicContact CG1-CG2 4.33Å; V857-T873 CarbonylContact O-C 3.51Å; V857-T873 WeakPolarHBondContact O-CA 3.38Å; V857-V874 PolarHBondContact O-N 3.2Å
858L98.7Very high96.9Very high0 Ų011.8 Ų11.80%06%0.061CC..EExtended strand (participates in β ladder)trans-94.2110.6176.6-52.6-176.5000108.2F707 G708 L709 E710 L726 F729 V874 I876 F910 I914F707-L858 HydrophobicContact CB-CD1 4.15Å; F707-L858 HydrophobicContact CB-CG 4.37Å; F707-L858 HydrophobicContact CD1-CD1 4.24Å; F707-L858 HydrophobicContact CD1-CD2 4.27Å; F707-L858 HydrophobicContact CD1-CG 4.3Å; F707-L858 HydrophobicContact CG-CD1 4.41Å; G708-L858 PolarHBondContact O-N 3.09Å; L709-L858 HydrophobicContact CD2-CB 4.33Å; L709-L858 HydrophobicContact CD2-CD1 4.14Å; E710-L858 PolarHBondContact N-O 3.36Å; L726-L858 HydrophobicContact CD2-CB 3.81Å; L726-L858 HydrophobicContact CD2-CD1 3.72Å; L726-L858 HydrophobicContact CD2-CG 4.4Å; F729-L858 HydrophobicContact CD1-CD1 3.62Å; F729-L858 HydrophobicContact CE1-CD1 3.47Å; F729-L858 VanDerWaalsContact CE1-CD1 3.47Å; F729-L858 HydrophobicContact CZ-CD1 4.34Å; L858-V874 HydrophobicContact CD2-CB 4.01Å; L858-V874 HydrophobicContact CD2-CG2 4Å; L858-I876 HydrophobicContact CB-CD1 4.17Å; L858-F910 HydrophobicContact CD1-CE1 4.22Å; L858-F910 HydrophobicContact CD1-CZ 4.08Å; L858-F910 HydrophobicContact CD2-CZ 4.24Å; L858-I914 HydrophobicContact CD2-CD1 3.59Å
859F98.2Very high96.8Very high0 Ų011.6 Ų11.60%06%0.059CC..EExtended strand (participates in β ladder)trans-117.3100.8-161.7-165.2-70.6000109.9E710 G712 D842 V857 T865 T873 V874 K875 I876E710-F859 HydrophobicContact CB-CD2 3.6Å; E710-F859 HydrophobicContact CB-CE2 4.03Å; E710-F859 HydrophobicContact CB-CG 4.21Å; E710-F859 HydrophobicContact CG-CD2 4.29Å; E710-F859 WeakPolarHBondContact O-CA 3.38Å; G712-F859 VanDerWaalsContact CA-CZ 3.42Å; G712-F859 VanDerWaalsContact N-CE1 3.34Å; D842-F859 HydrophobicContact CB-CE2 4.12Å; D842-F859 HydrophobicContact CB-CZ 3.91Å; V857-F859 HydrophobicContact CG1-CD2 4.42Å; F859-T865 HydrophobicContact CE1-CG2 4.06Å; F859-T865 HydrophobicContact CZ-CG2 3.96Å; F859-T873 HydrophobicContact CB-CG2 3.9Å; F859-T873 HydrophobicContact CD2-CG2 3.97Å; F859-T873 HydrophobicContact CG-CG2 4.19Å; F859-V874 WeakPolarHBondContact CB-O 3.4Å; F859-V874 PolarHBondContact N-O 3.16Å; F859-K875 WeakPolarHBondContact O-CA 3.34Å; F859-I876 PolarHBondContact O-N 2.75Å
860S97.8Very high96.7Very high0 Ų011.6 Ų11.60%06%0.059CC..EExtended strand (participates in β ladder)trans-80.5138.417868.60000111.6E710 C711 G712 N723 I876E710-S860 PolarHBondContact O-N 3.09Å; C711-S860 PolarHBondContact SG-OG 2.83Å; G712-S860 PolarHBondContact N-O 3Å; N723-S860 WeakPolarHBondContact OD1-CB 3.32Å; N723-S860 PolarHBondContact OD1-OG 3.23Å; S860-I876 CarbonylContact C-O 3.55Å; S860-I876 WeakPolarHBondContact CA-O 3.47Å
861T97Very high96.7Very high0 Ų011.6 Ų11.60%06%0.059CC..EExtended strand (participates in β ladder)trans-148.3131179-172.40000111.9G864 T865 I876 A877 T878 L882 I890T861-G864 WeakPolarHBondContact OG1-CA 3.39Å; T861-G864 PolarHBondContact OG1-N 2.87Å; T861-T865 PolarHBondContact OG1-N 3.3Å; T861-I876 PolarHBondContact N-O 2.89Å; T861-A877 WeakPolarHBondContact O-CA 3.49Å; T861-T878 WeakPolarHBondContact O-CG2 3.49Å; T861-T878 PolarHBondContact O-N 3.45Å; T861-T878 VanDerWaalsContact O-N 3.07Å; T861-L882 HydrophobicContact CG2-CD2 4.21Å; T861-L882 VanDerWaalsContact O-CD2 3.32Å; T861-L882 WeakPolarHBondContact O-CD2 3.47Å; T861-I890 HydrophobicContact CG2-CD1 3.84Å
862G94.5Very high96.8Very high7 Ų711.5 Ų11.57%0.0726%0.059CC..SBendtrans-101.7-17.4174.300000114.6G713 D715 T878 N879G713-G862 CarbonylContact O-C 3.26Å; G713-G862 WeakPolarHBondContact O-CA 3.26Å; G713-G862 PolarHBondContact O-N 3.05Å; D715-G862 WeakPolarHBondContact OD2-CA 3.1Å; G862-T878 WeakPolarHBondContact CA-OG1 3.27Å; G862-N879 PolarHBondContact O-ND2 3.13Å
863R93.5Very high96.8Very high125 Ų12511.4 Ų11.447%0.4726%0.058SC..SBendtrans-108.3-10.8-179-58.2-68.8-66.1-168.3-7.2113.4G713 G793 A796G713-R863 WeakPolarHBondContact O-CB 3.32Å; G713-R863 WeakPolarHBondContact O-CG 3.39Å; G713-R863 PolarHBondContact O-N 2.82Å; G793-R863 PolarHBondContact O-NE 3.38Å; A796-R863 PolarHBondContact O-NH1 2.84Å; A796-R863 VanDerWaalsContact O-NH1 3.14Å
864G92Very high96.8Very high11 Ų1111.3 Ų11.311%0.1136%0.057CC..  trans85.373177.700000113.2T861 P866 W889T861-G864 WeakPolarHBondContact OG1-CA 3.39Å; T861-G864 PolarHBondContact OG1-N 2.87Å; G864-P866 WeakPolarHBondContact O-CD 3.48Å; G864-W889 VanDerWaalsContact O-CZ3 3.3Å; G864-W889 WeakPolarHBondContact O-CZ3 3.37Å
865T93.7Very high96.8Very high24 Ų2411.4 Ų11.415%0.1476%0.057CC..  trans-85.3118.7168.3-570000109.6G713 D842 F859 T861G713-T865 PolarHBondContact N-OG1 3.09Å; D842-T865 WeakPolarHBondContact OD2-CG2 3.22Å; F859-T865 HydrophobicContact CE1-CG2 4.06Å; F859-T865 HydrophobicContact CZ-CG2 3.96Å; T861-T865 PolarHBondContact OG1-N 3.3Å
866P94.2Very high96.8Very high43 Ų4311.2 Ų11.228%0.2796%0.056SC..  trans-83.9-9.3178.732.3-34.4000114.5G864 W889 F930G864-P866 WeakPolarHBondContact O-CD 3.48Å; P866-W889 HydrophobicContact CB-CD2 3.7Å; P866-W889 HydrophobicContact CB-CE3 3.99Å; P866-W889 HydrophobicContact CB-CG 4.01Å; P866-W889 HydrophobicContact CB-CH2 4.39Å; P866-W889 HydrophobicContact CB-CZ2 4.15Å; P866-W889 HydrophobicContact CB-CZ3 4.33Å; P866-W889 HydrophobicContact CG-CD2 4.42Å; P866-W889 HydrophobicContact CG-CE3 4.35Å; P866-W889 HydrophobicContact CG-CH2 4.1Å; P866-W889 HydrophobicContact CG-CZ2 4.18Å; P866-W889 HydrophobicContact CG-CZ3 4.2Å; P866-F930 HydrophobicContact CB-CD2 4.33Å; P866-F930 HydrophobicContact CB-CE2 4.06Å; P866-F930 WeakPolarHBondContact O-CD2 3.43Å
867Y94.9Very high96.8Very high25 Ų2511.2 Ų11.210%0.0986%0.056CC..  trans-48.9139.6-173.9179.5-91.7000112.8A843 T846 K875 E932A843-Y867 VanDerWaalsContact CA-CZ 3.41Å; A843-Y867 HydrophobicContact CB-CD2 4.16Å; A843-Y867 HydrophobicContact CB-CE1 4.14Å; A843-Y867 HydrophobicContact CB-CE2 3.47Å; A843-Y867 VanDerWaalsContact CB-CE2 3.47Å; A843-Y867 VanDerWaalsContact CB-CZ 3.48Å; A843-Y867 PolarHBondContact O-OH 3.43Å; T846-Y867 HydrophobicContact CG2-CE1 3.97Å; Y867-K875 WeakPolarHBondContact O-CE 3.39Å; Y867-K875 PolarHBondContact O-NZ 2.99Å; Y867-E932 HydrophobicContact CE2-CB 3.55Å; Y867-E932 HydrophobicContact CE2-CG 4.17Å; Y867-E932 WeakPolarHBondContact CE2-OE2 3.43Å; Y867-E932 PolarHBondContact OH-O 3.01Å
868G95.7Very high96.7Very high0 Ų011.2 Ų11.20%06%0.056CC..  trans-136137.2172.400000111.4F930 E932G868-F930 CarbonylContact C-O 3.6Å; G868-F930 WeakPolarHBondContact CA-O 3.24Å; G868-E932 PolarHBondContact O-N 2.89Å
869G96.3Very high96.5Very high0 Ų011.3 Ų11.30%06%0.057CC..BIsolated β-bridgetrans-81.1-173.6174.400000112.5V871 T873 E932G869-V871 PolarHBondContact O-N 3.27Å; G869-T873 PolarHBondContact N-OG1 3.31Å; G869-T873 VanDerWaalsContact N-OG1 3.08Å; G869-E932 WeakPolarHBondContact CA-O 3.3Å
870F96.6Very high96.4Very high0 Ų012.2 Ų12.20%06%0.063CC..SBendtrans-74.2-2177.460.8-97.3000114.9W572 F607 M630 A850 E932 L933W572-F870 AromaticContact CH2-CD2 3.42Å; W572-F870 HydrophobicContact CH2-CD2 3.42Å; W572-F870 VanDerWaalsContact CH2-CD2 3.42Å; W572-F870 AromaticContact CH2-CE2 3.81Å; W572-F870 HydrophobicContact CH2-CE2 3.81Å; W572-F870 HydrophobicContact CZ2-CD2 4.1Å; W572-F870 AromaticContact CZ3-CD2 3.84Å; W572-F870 HydrophobicContact CZ3-CD2 3.84Å; W572-F870 HydrophobicContact CZ3-CE2 4.01Å; F607-F870 HydrophobicContact CD1-CB 3.55Å; F607-F870 HydrophobicContact CE1-CB 3.11Å; F607-F870 HydrophobicContact CE1-CG 4.43Å; F607-F870 HydrophobicContact CE2-CB 4.4Å; F607-F870 HydrophobicContact CG-CB 4.36Å; F607-F870 HydrophobicContact CZ-CB 3.59Å; M630-F870 HydrophobicContact CE-CB 4.22Å; M630-F870 HydrophobicContact CE-CD1 3.95Å; M630-F870 HydrophobicContact CE-CD2 4.04Å; M630-F870 HydrophobicContact CE-CE1 4.26Å; M630-F870 HydrophobicContact CE-CE2 4.33Å; M630-F870 HydrophobicContact CE-CG 3.83Å; M630-F870 HydrophobicContact CE-CZ 4.42Å; M630-F870 HydrophobicContact CG-CE1 4.16Å; M630-F870 HydrophobicContact CG-CE2 3.9Å; M630-F870 HydrophobicContact CG-CZ 3.69Å; M630-F870 HydrophobicContact SD-CD1 4.47Å; M630-F870 HydrophobicContact SD-CE1 4.24Å; M630-F870 HydrophobicContact SD-CZ 4.36Å; A850-F870 HydrophobicContact CB-CD1 4.41Å; A850-F870 HydrophobicContact CB-CD2 4.14Å; A850-F870 HydrophobicContact CB-CE1 3.77Å; A850-F870 HydrophobicContact CB-CE2 3.46Å; A850-F870 VanDerWaalsContact CB-CE2 3.46Å; A850-F870 HydrophobicContact CB-CZ 3.25Å; F870-E932 PolarHBondContact N-O 3.23Å; F870-L933 HydrophobicContact CD1-CD1 4.03Å; F870-L933 HydrophobicContact CE1-CD1 3.85Å
871V98.5Very high96.2Very high0 Ų016.1 Ų16.10%08%0.082CC..SBendtrans-116.5160.4170.1-60.90000110A850 V857 G869 T873A850-V871 HydrophobicContact CB-CB 4.39Å; A850-V871 HydrophobicContact CB-CG1 3.86Å; A850-V871 HydrophobicContact CB-CG2 3.64Å; V857-V871 HydrophobicContact CG2-CG2 3.97Å; G869-V871 PolarHBondContact O-N 3.27Å; V871-T873 PolarHBondContact O-N 2.72Å; V871-T873 VanDerWaalsContact O-N 3.07Å; V871-T873 PolarHBondContact O-OG1 3.35Å
872P98.6Very high96.2Very high0 Ų016.9 Ų16.90%09%0.086CC..  trans-49121.1174-26.733.5000111.1V567 R568 M856 V857 T923V567-P872 HydrophobicContact CG2-CG 4.42Å; R568-P872 HydrophobicContact CG-CG 4.15Å; M856-P872 VanDerWaalsContact CA-O 3.29Å; M856-P872 WeakPolarHBondContact CA-O 3.36Å; M856-P872 HydrophobicContact CG-CB 4.11Å; V857-P872 PolarHBondContact N-O 3.17Å; P872-T923 HydrophobicContact CB-CG2 4.01Å
873T98.6Very high96.3Very high0 Ų017.2 Ų17.20%09%0.088CC..EExtended strand (participates in β ladder)trans-118.798.3-175.3-54.20000107.5T846 V857 F859 G869 V871 K875 N925T846-T873 HydrophobicContact CG2-CG2 4.47Å; V857-T873 HydrophobicContact CB-CG2 4.29Å; V857-T873 HydrophobicContact CG1-CG2 4.33Å; V857-T873 CarbonylContact O-C 3.51Å; V857-T873 WeakPolarHBondContact O-CA 3.38Å; F859-T873 HydrophobicContact CB-CG2 3.9Å; F859-T873 HydrophobicContact CD2-CG2 3.97Å; F859-T873 HydrophobicContact CG-CG2 4.19Å; G869-T873 PolarHBondContact N-OG1 3.31Å; G869-T873 VanDerWaalsContact N-OG1 3.08Å; V871-T873 PolarHBondContact O-N 2.72Å; V871-T873 VanDerWaalsContact O-N 3.07Å; V871-T873 PolarHBondContact O-OG1 3.35Å; T873-K875 HydrophobicContact CG2-CD 4.48Å; T873-K875 WeakPolarHBondContact O-CD 3.25Å; T873-K875 PolarHBondContact O-N 3.5Å; T873-K875 PolarHBondContact O-NZ 3.5Å; T873-N925 PolarHBondContact N-OD1 3.01Å; T873-N925 PolarHBondContact O-OD1 3.38Å; T873-N925 VanDerWaalsContact O-OD1 3.09Å
874V98.6Very high96.5Very high0 Ų014.2 Ų14.20%09%0.09CC..EExtended strand (participates in β ladder)trans-78.8116.3-172.8-176.80000109.9M856 V857 L858 F859 I876 D891 I914 F917 T923M856-V874 HydrophobicContact SD-CG2 4.5Å; V857-V874 PolarHBondContact O-N 3.2Å; L858-V874 HydrophobicContact CD2-CB 4.01Å; L858-V874 HydrophobicContact CD2-CG2 4Å; F859-V874 WeakPolarHBondContact CB-O 3.4Å; F859-V874 PolarHBondContact N-O 3.16Å; V874-I876 HydrophobicContact CG1-CG1 4.34Å; V874-D891 HydrophobicContact CG1-CB 3.88Å; V874-I914 HydrophobicContact CG1-CD1 4.14Å; V874-I914 HydrophobicContact CG2-CD1 4.07Å; V874-F917 HydrophobicContact CG1-CD2 4.18Å; V874-F917 HydrophobicContact CG1-CE2 3.73Å; V874-F917 HydrophobicContact CG2-CD2 3.75Å; V874-F917 HydrophobicContact CG2-CE2 4.08Å; V874-T923 HydrophobicContact CG2-CG2 3.77Å
875K98.4Very high96.7Very high1 Ų122 Ų220%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-88.8123.7-179-81.762163.61600111.3F859 Y867 T873 W889 I890 D891 F892 N925F859-K875 WeakPolarHBondContact O-CA 3.34Å; Y867-K875 WeakPolarHBondContact O-CE 3.39Å; Y867-K875 PolarHBondContact O-NZ 2.99Å; T873-K875 HydrophobicContact CG2-CD 4.48Å; T873-K875 WeakPolarHBondContact O-CD 3.25Å; T873-K875 PolarHBondContact O-N 3.5Å; T873-K875 PolarHBondContact O-NZ 3.5Å; K875-W889 WeakPolarHBondContact CB-O 3.27Å; K875-W889 WeakPolarHBondContact CG-O 3.35Å; K875-I890 HydrophobicContact CB-CD1 4.12Å; K875-D891 PolarHBondContact N-OD2 3.07Å; K875-D891 WeakPolarHBondContact O-CA 3.43Å; K875-D891 WeakPolarHBondContact O-CB 3.41Å; K875-D891 PolarHBondContact O-N 3.01Å; K875-F892 PolarHBondContact O-N 3.3Å; K875-N925 VanDerWaalsContact NZ-CB 3.28Å
876I98.8Very high96.9Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-115.7111.4-177.5-55.6158.9000108.4A722 M725 L726 L858 F859 S860 T861 V874 F892 A894 F910A722-I876 HydrophobicContact CB-CG2 3.86Å; M725-I876 HydrophobicContact CE-CG2 3.78Å; L726-I876 HydrophobicContact CD1-CD1 4.09Å; L726-I876 HydrophobicContact CD2-CD1 3.63Å; L726-I876 HydrophobicContact CG-CD1 4.12Å; L858-I876 HydrophobicContact CB-CD1 4.17Å; F859-I876 PolarHBondContact O-N 2.75Å; S860-I876 CarbonylContact C-O 3.55Å; S860-I876 WeakPolarHBondContact CA-O 3.47Å; T861-I876 PolarHBondContact N-O 2.89Å; V874-I876 HydrophobicContact CG1-CG1 4.34Å; I876-F892 CarbonylContact C-O 3.57Å; I876-F892 WeakPolarHBondContact CA-O 3.49Å; I876-F892 HydrophobicContact CG1-CB 4.41Å; I876-F892 HydrophobicContact CG2-CD1 4.31Å; I876-A894 HydrophobicContact CG2-CB 3.83Å; I876-F910 HydrophobicContact CD1-CE2 3.61Å; I876-F910 HydrophobicContact CD1-CZ 3.62Å; I876-F910 HydrophobicContact CG1-CE2 3.9Å; I876-F910 HydrophobicContact CG1-CZ 4.4Å
877A98.5Very high96.9Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-75.9135.8177.600000111T861 N879 L882 A883 I890 F892 A894 G895T861-A877 WeakPolarHBondContact O-CA 3.49Å; A877-N879 VanDerWaalsContact C-N 3.31Å; A877-L882 HydrophobicContact CB-CB 4.37Å; A877-L882 HydrophobicContact CB-CD2 4.17Å; A877-L882 HydrophobicContact CB-CG 4.28Å; A877-A883 HydrophobicContact CB-CB 3.88Å; A877-I890 HydrophobicContact CB-CB 4.5Å; A877-I890 HydrophobicContact CB-CD1 4.06Å; A877-I890 HydrophobicContact CB-CG1 4.1Å; A877-I890 HydrophobicContact CB-CG2 3.61Å; A877-F892 PolarHBondContact N-O 3.47Å; A877-A894 WeakPolarHBondContact O-CB 3.29Å; A877-A894 PolarHBondContact O-N 3.47Å; A877-G895 PolarHBondContact O-N 3.22Å
878T97.2Very high97Very high0 Ų035.1 Ų35.10%017%0.173CC..SBendtrans-82.5-13.4178.670.40000112.5D715 S718 T721 A722 T861 G862D715-T878 VanDerWaalsContact CG-OG1 3.29Å; D715-T878 PolarHBondContact OD1-OG1 2.91Å; D715-T878 PolarHBondContact OD2-OG1 3.33Å; D715-T878 VanDerWaalsContact OD2-OG1 3.11Å; S718-T878 VanDerWaalsContact OG-CG2 3.29Å; S718-T878 WeakPolarHBondContact OG-CG2 3.49Å; T721-T878 VanDerWaalsContact OG1-CA 3.31Å; T721-T878 WeakPolarHBondContact OG1-CA 3.42Å; T721-T878 WeakPolarHBondContact OG1-CB 3.39Å; T721-T878 PolarHBondContact OG1-O 3.33Å; A722-T878 HydrophobicContact CB-CG2 3.8Å; T861-T878 WeakPolarHBondContact O-CG2 3.49Å; T861-T878 PolarHBondContact O-N 3.45Å; T861-T878 VanDerWaalsContact O-N 3.07Å; G862-T878 WeakPolarHBondContact CA-OG1 3.27Å
879N95Very high97.1Very high2 Ų238.5 Ų38.51%0.01119%0.186CC..SBendtrans-142.6141.7178.763.492000111.2R487 D715 L717 G862 A877 E881 L882 A883R487-N879 VanDerWaalsContact NH2-CG 3.3Å; R487-N879 PolarHBondContact NH2-OD1 3.2Å; D715-N879 PolarHBondContact OD2-ND2 2.76Å; L717-N879 HydrophobicContact CD1-CB 3.84Å; G862-N879 PolarHBondContact O-ND2 3.13Å; A877-N879 VanDerWaalsContact C-N 3.31Å; N879-E881 VanDerWaalsContact C-N 3.26Å; N879-E881 PolarHBondContact O-N 3.23Å; N879-L882 WeakPolarHBondContact O-CB 3.34Å; N879-L882 PolarHBondContact O-N 2.89Å; N879-L882 VanDerWaalsContact OD1-CB 3.28Å; N879-L882 WeakPolarHBondContact OD1-CB 3.41Å; N879-L882 PolarHBondContact OD1-N 2.92Å; N879-A883 PolarHBondContact O-N 3.17Å
880S95.9Very high97.2Very high19 Ų1939.1 Ų39.113%0.13319%0.189CC..Hα-helixtrans-67.4-25.7-173.1-66.90000113.1A883 A884 D893 G895 Q896 H899S880-A883 PolarHBondContact O-N 3.15Å; S880-A884 VanDerWaalsContact O-CB 3.28Å; S880-A884 WeakPolarHBondContact O-CB 3.44Å; S880-A884 PolarHBondContact O-N 3.01Å; S880-D893 WeakPolarHBondContact CA-OD1 3.16Å; S880-D893 WeakPolarHBondContact CA-OD2 3.31Å; S880-D893 WeakPolarHBondContact CB-OD2 3.36Å; S880-D893 VanDerWaalsContact OG-CG 3.27Å; S880-D893 PolarHBondContact OG-OD1 3.22Å; S880-D893 PolarHBondContact OG-OD2 3Å; S880-G895 VanDerWaalsContact OG-C 3.25Å; S880-Q896 PolarHBondContact OG-N 2.75Å; S880-H899 PolarHBondContact OG-CD2 3.34Å
881E94.2Very high97.3Very high82 Ų8240.5 Ų40.538%0.38320%0.197SC..Hα-helixtrans-68.9-36.9176.4-60.585.9156.500111.5R487 N879 K885R487-E881 IonicContact CZ-OE2 3.98Å; R487-E881 IonicContact NH1-OE1 3.12Å; R487-E881 PolarHBondContact NH1-OE1 3.13Å; R487-E881 VanDerWaalsContact NH1-OE1 3.14Å; R487-E881 IonicContact NH1-OE2 2.89Å; R487-E881 PolarHBondContact NH1-OE2 3.31Å; N879-E881 VanDerWaalsContact C-N 3.26Å; N879-E881 PolarHBondContact O-N 3.23Å; E881-K885 WeakPolarHBondContact O-CB 3.29Å; E881-K885 PolarHBondContact O-N 3.27Å
882L95.9Very high97.3Very high16 Ų1641.3 Ų41.38%0.08420%0.2CC..Hα-helixtrans-64.7-47.5171.3175.863.3000110.5T861 A877 N879 A884 K885 K886 I890T861-L882 HydrophobicContact CG2-CD2 4.21Å; T861-L882 VanDerWaalsContact O-CD2 3.32Å; T861-L882 WeakPolarHBondContact O-CD2 3.47Å; A877-L882 HydrophobicContact CB-CB 4.37Å; A877-L882 HydrophobicContact CB-CD2 4.17Å; A877-L882 HydrophobicContact CB-CG 4.28Å; N879-L882 WeakPolarHBondContact O-CB 3.34Å; N879-L882 PolarHBondContact O-N 2.89Å; N879-L882 VanDerWaalsContact OD1-CB 3.28Å; N879-L882 WeakPolarHBondContact OD1-CB 3.41Å; N879-L882 PolarHBondContact OD1-N 2.92Å; L882-A884 VanDerWaalsContact C-N 3.31Å; L882-A884 PolarHBondContact O-N 2.81Å; L882-K885 PolarHBondContact O-N 3.05Å; L882-K886 HydrophobicContact CD1-CB 4.16Å; L882-K886 HydrophobicContact CD1-CG 3.79Å; L882-K886 WeakPolarHBondContact O-CB 3.38Å; L882-K886 PolarHBondContact O-N 2.91Å; L882-I890 HydrophobicContact CD2-CD1 4.32Å; L882-I890 HydrophobicContact CG-CD1 4.34Å; L882-I890 HydrophobicContact CG-CG1 4.41Å
883A97.5Very high97.3Very high14 Ų1442.9 Ų42.912%0.11621%0.209CC..Hα-helixtrans-56.2-46.9177.100000111.5A877 N879 S880 K886 K887 I890 D893A877-A883 HydrophobicContact CB-CB 3.88Å; N879-A883 PolarHBondContact O-N 3.17Å; S880-A883 PolarHBondContact O-N 3.15Å; A883-K886 CarbonylContact O-C 3.56Å; A883-K887 WeakPolarHBondContact O-CG 3.37Å; A883-K887 PolarHBondContact O-N 3.34Å; A883-I890 HydrophobicContact CB-CG2 4.05Å; A883-D893 HydrophobicContact CB-CB 3.71Å
884A97.2Very high97.2Very high62 Ų6242.9 Ų42.951%0.51221%0.209SC..Hα-helixtrans-66.3-38.6178.900000113S880 L882 K887S880-A884 VanDerWaalsContact O-CB 3.28Å; S880-A884 WeakPolarHBondContact O-CB 3.44Å; S880-A884 PolarHBondContact O-N 3.01Å; L882-A884 VanDerWaalsContact C-N 3.31Å; L882-A884 PolarHBondContact O-N 2.81Å; A884-K887 VanDerWaalsContact O-CE 3.3Å; A884-K887 WeakPolarHBondContact O-CE 3.48Å; A884-K887 WeakPolarHBondContact O-CG 3.36Å
885K97.1Very high97.1Very high173 Ų17342.9 Ų42.975%0.75221%0.209SC*.Hα-helixtrans-77.5-29.9-178.7-173.6174.5-176.7176.10112.9E881 L882E881-K885 WeakPolarHBondContact O-CB 3.29Å; E881-K885 PolarHBondContact O-N 3.27Å; L882-K885 PolarHBondContact O-N 3.05Å
886K96.9Very high97Very high72 Ų7245.2 Ų45.231%0.31322%0.219SC..THydrogen-bonded Turntrans-124.845.7-172.5-62.7-64.5-170.2167.30112.2L882 A883 H888 W889 I890L882-K886 HydrophobicContact CD1-CB 4.16Å; L882-K886 HydrophobicContact CD1-CG 3.79Å; L882-K886 WeakPolarHBondContact O-CB 3.38Å; L882-K886 PolarHBondContact O-N 2.91Å; A883-K886 CarbonylContact O-C 3.56Å; K886-H888 PolarHBondContact O-N 3.1Å; K886-W889 HydrophobicContact CB-CB 4.26Å; K886-W889 HydrophobicContact CB-CD2 4.38Å; K886-W889 HydrophobicContact CB-CE3 4.21Å; K886-W889 HydrophobicContact CB-CG 4.43Å; K886-W889 HydrophobicContact CD-CD2 4.07Å; K886-W889 HydrophobicContact CD-CE3 3.8Å; K886-W889 HydrophobicContact CD-CH2 4.44Å; K886-W889 HydrophobicContact CD-CZ3 4Å; K886-W889 HydrophobicContact CG-CD2 4.5Å; K886-W889 HydrophobicContact CG-CE3 4.01Å; K886-W889 HydrophobicContact CG-CZ3 4.45Å; K886-W889 PolarHBondContact O-N 2.96Å; K886-I890 HydrophobicContact CB-CG1 4.25Å; K886-I890 PolarHBondContact O-N 2.92Å
887K95.5Very high96.3Very high148 Ų14846.7 Ų46.764%0.64323%0.227SC*.THydrogen-bonded Turntrans-53.5-24.3179.8-59.6-176.8-177.4-175.40115.3A883 A884A883-K887 WeakPolarHBondContact O-CG 3.37Å; A883-K887 PolarHBondContact O-N 3.34Å; A884-K887 VanDerWaalsContact O-CE 3.3Å; A884-K887 WeakPolarHBondContact O-CE 3.48Å; A884-K887 WeakPolarHBondContact O-CG 3.36Å
888H96Very high95.7Very high148 Ų14848.3 Ų48.369%0.68524%0.235SC*.THydrogen-bonded Turntrans-86-10.1177.9-56.9-64.3000113.3K886 N928K886-H888 PolarHBondContact O-N 3.1Å; H888-N928 PolarHBondContact O-ND2 2.91Å
889W96.9Very high95Very high71 Ų7153.8 Ų53.827%0.26926%0.261SS..THydrogen-bonded Turntrans-107.4-33.7177.7-61-8000111.8G864 P866 K875 K886 C924G864-W889 VanDerWaalsContact O-CZ3 3.3Å; G864-W889 WeakPolarHBondContact O-CZ3 3.37Å; P866-W889 HydrophobicContact CB-CD2 3.7Å; P866-W889 HydrophobicContact CB-CE3 3.99Å; P866-W889 HydrophobicContact CB-CG 4.01Å; P866-W889 HydrophobicContact CB-CH2 4.39Å; P866-W889 HydrophobicContact CB-CZ2 4.15Å; P866-W889 HydrophobicContact CB-CZ3 4.33Å; P866-W889 HydrophobicContact CG-CD2 4.42Å; P866-W889 HydrophobicContact CG-CE3 4.35Å; P866-W889 HydrophobicContact CG-CH2 4.1Å; P866-W889 HydrophobicContact CG-CZ2 4.18Å; P866-W889 HydrophobicContact CG-CZ3 4.2Å; K875-W889 WeakPolarHBondContact CB-O 3.27Å; K875-W889 WeakPolarHBondContact CG-O 3.35Å; K886-W889 HydrophobicContact CB-CB 4.26Å; K886-W889 HydrophobicContact CB-CD2 4.38Å; K886-W889 HydrophobicContact CB-CE3 4.21Å; K886-W889 HydrophobicContact CB-CG 4.43Å; K886-W889 HydrophobicContact CD-CD2 4.07Å; K886-W889 HydrophobicContact CD-CE3 3.8Å; K886-W889 HydrophobicContact CD-CH2 4.44Å; K886-W889 HydrophobicContact CD-CZ3 4Å; K886-W889 HydrophobicContact CG-CD2 4.5Å; K886-W889 HydrophobicContact CG-CE3 4.01Å; K886-W889 HydrophobicContact CG-CZ3 4.45Å; K886-W889 PolarHBondContact O-N 2.96Å; W889-C924 WeakPolarHBondContact O-CB 3.47Å
890I98.4Very high94Very high14 Ų1457.1 Ų57.17%0.07230%0.296CS..  trans-94.5130.4-172.6-57.1-54.4000111T861 K875 A877 L882 A883 K886 F892 C924T861-I890 HydrophobicContact CG2-CD1 3.84Å; K875-I890 HydrophobicContact CB-CD1 4.12Å; A877-I890 HydrophobicContact CB-CB 4.5Å; A877-I890 HydrophobicContact CB-CD1 4.06Å; A877-I890 HydrophobicContact CB-CG1 4.1Å; A877-I890 HydrophobicContact CB-CG2 3.61Å; L882-I890 HydrophobicContact CD2-CD1 4.32Å; L882-I890 HydrophobicContact CG-CD1 4.34Å; L882-I890 HydrophobicContact CG-CG1 4.41Å; A883-I890 HydrophobicContact CB-CG2 4.05Å; K886-I890 HydrophobicContact CB-CG1 4.25Å; K886-I890 PolarHBondContact O-N 2.92Å; I890-F892 WeakPolarHBondContact CG2-O 3.47Å; I890-C924 PolarHBondContact O-SG 3.37Å; I890-C924 VanDerWaalsContact O-SG 3.39Å
891D98.6Very high93.4Very high29 Ų2958.5 Ų58.516%0.15530%0.299CS..SBendtrans-94.5-33.9176.8-68.8-62.6000112.6V874 K875 F917 C924V874-D891 HydrophobicContact CG1-CB 3.88Å; K875-D891 PolarHBondContact N-OD2 3.07Å; K875-D891 WeakPolarHBondContact O-CA 3.43Å; K875-D891 WeakPolarHBondContact O-CB 3.41Å; K875-D891 PolarHBondContact O-N 3.01Å; D891-F917 HydrophobicContact CB-CE2 4.05Å; D891-F917 HydrophobicContact CB-CZ 3.82Å; D891-C924 WeakPolarHBondContact OD1-CB 3Å; D891-C924 PolarHBondContact OD1-N 3.36Å; D891-C924 PolarHBondContact OD1-SG 2.64Å; D891-C924 PolarHBondContact OD2-N 3.47Å
892F98.7Very high92.9Very high16 Ų1656.7 Ų56.77%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-141.5144.3-178.2-166.3-96.4000112.4M725 K875 I876 A877 I890 L906 E909 F910 T913M725-F892 HydrophobicContact CE-CD1 3.81Å; M725-F892 HydrophobicContact CE-CE1 3.71Å; K875-F892 PolarHBondContact O-N 3.3Å; I876-F892 CarbonylContact C-O 3.57Å; I876-F892 WeakPolarHBondContact CA-O 3.49Å; I876-F892 HydrophobicContact CG1-CB 4.41Å; I876-F892 HydrophobicContact CG2-CD1 4.31Å; A877-F892 PolarHBondContact N-O 3.47Å; I890-F892 WeakPolarHBondContact CG2-O 3.47Å; F892-L906 HydrophobicContact CE1-CD1 3.59Å; F892-L906 HydrophobicContact CE1-CD2 4.31Å; F892-L906 HydrophobicContact CE1-CG 3.9Å; F892-L906 HydrophobicContact CZ-CD1 3.52Å; F892-L906 HydrophobicContact CZ-CG 4.03Å; F892-E909 HydrophobicContact CE2-CB 4.14Å; F892-E909 HydrophobicContact CZ-CB 4.16Å; F892-F910 HydrophobicContact CB-CD2 4.27Å; F892-F910 HydrophobicContact CB-CE2 4.47Å; F892-F910 HydrophobicContact CD1-CB 4.5Å; F892-F910 AromaticContact CD1-CD2 3.69Å; F892-F910 HydrophobicContact CD1-CD2 3.69Å; F892-F910 HydrophobicContact CD1-CE2 4.43Å; F892-F910 HydrophobicContact CD1-CG 4.49Å; F892-F910 HydrophobicContact CD2-CD2 4.04Å; F892-F910 HydrophobicContact CE1-CB 3.89Å; F892-F910 AromaticContact CE1-CD2 3.94Å; F892-F910 HydrophobicContact CE1-CD2 3.94Å; F892-F910 HydrophobicContact CE1-CG 4.31Å; F892-F910 HydrophobicContact CE2-CB 4.05Å; F892-F910 HydrophobicContact CE2-CD2 4.28Å; F892-F910 AromaticContact CG-CD2 3.73Å; F892-F910 HydrophobicContact CG-CD2 3.73Å; F892-F910 HydrophobicContact CG-CE2 4.39Å; F892-F910 HydrophobicContact CZ-CB 3.63Å; F892-F910 HydrophobicContact CZ-CD2 4.23Å; F892-F910 HydrophobicContact CZ-CG 4.43Å; F892-T913 HydrophobicContact CD2-CG2 4.18Å
893D98.6Very high92.5Very high33 Ų3358.2 Ų58.218%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-106.999.8179.7-17914.4000111.2S880 A883 G895 Q896S880-D893 WeakPolarHBondContact CA-OD1 3.16Å; S880-D893 WeakPolarHBondContact CA-OD2 3.31Å; S880-D893 WeakPolarHBondContact CB-OD2 3.36Å; S880-D893 VanDerWaalsContact OG-CG 3.27Å; S880-D893 PolarHBondContact OG-OD1 3.22Å; S880-D893 PolarHBondContact OG-OD2 3Å; A883-D893 HydrophobicContact CB-CB 3.71Å; D893-G895 VanDerWaalsContact C-N 3.3Å; D893-G895 VanDerWaalsContact OD1-CA 3.31Å; D893-G895 WeakPolarHBondContact OD1-CA 3.41Å; D893-G895 PolarHBondContact OD1-N 2.9Å; D893-Q896 HydrophobicContact CB-CG 4.35Å; D893-Q896 WeakPolarHBondContact O-CG 3.42Å; D893-Q896 PolarHBondContact O-NE2 3.09Å
894A98.2Very high92Very high0 Ų062.2 Ų62.20%033%0.331CS..G310 helixtrans-81.4-11.8172.700000112.9T721 A722 M725 I876 A877 Q896 L897 L906T721-A894 WeakPolarHBondContact CB-O 3.43Å; A722-A894 HydrophobicContact CB-CB 3.86Å; M725-A894 HydrophobicContact CE-CB 3.74Å; I876-A894 HydrophobicContact CG2-CB 3.83Å; A877-A894 WeakPolarHBondContact O-CB 3.29Å; A877-A894 PolarHBondContact O-N 3.47Å; A894-Q896 PolarHBondContact O-N 2.83Å; A894-Q896 VanDerWaalsContact O-N 3.12Å; A894-L897 PolarHBondContact O-N 2.61Å; A894-L906 HydrophobicContact CB-CD2 4.27Å
895G95.9Very high91.5Very high0 Ų064.7 Ų64.70%033%0.331CS..G310 helixtrans-60.4-18174.900000113.6A877 S880 D893 L897 I898 H899A877-G895 PolarHBondContact O-N 3.22Å; S880-G895 VanDerWaalsContact OG-C 3.25Å; D893-G895 VanDerWaalsContact C-N 3.3Å; D893-G895 VanDerWaalsContact OD1-CA 3.31Å; D893-G895 WeakPolarHBondContact OD1-CA 3.41Å; D893-G895 PolarHBondContact OD1-N 2.9Å; G895-L897 PolarHBondContact O-N 2.74Å; G895-I898 WeakPolarHBondContact O-CG1 3.4Å; G895-I898 PolarHBondContact O-N 3.02Å; G895-H899 PolarHBondContact O-CD2 3.48Å
896Q96.3Very high91.3Very high50 Ų5056.4 Ų56.423%0.23430%0.296CS..G310 helixtrans-54.8-24.9174-63-179.782.700113.5S880 D893 A894 I898 H899 G900 K901 L906S880-Q896 PolarHBondContact OG-N 2.75Å; D893-Q896 HydrophobicContact CB-CG 4.35Å; D893-Q896 WeakPolarHBondContact O-CG 3.42Å; D893-Q896 PolarHBondContact O-NE2 3.09Å; A894-Q896 PolarHBondContact O-N 2.83Å; A894-Q896 VanDerWaalsContact O-N 3.12Å; Q896-I898 PolarHBondContact O-N 2.98Å; Q896-H899 CarbonylContact O-C 3.51Å; Q896-H899 PolarHBondContact O-N 3.39Å; Q896-H899 VanDerWaalsContact O-N 3.14Å; Q896-G900 PolarHBondContact O-N 3.18Å; Q896-K901 HydrophobicContact CB-CB 4.14Å; Q896-K901 HydrophobicContact CB-CD 4.32Å; Q896-K901 WeakPolarHBondContact O-CB 3.36Å; Q896-K901 PolarHBondContact O-N 3.13Å; Q896-K901 VanDerWaalsContact O-N 3.15Å; Q896-L906 HydrophobicContact CB-CD1 4.12Å
897L83.5Confident91.4Very high31 Ų3154 Ų5416%0.16229%0.286CS..G310 helixtrans-60.1-42.9175-71.3167.6000112.5T721 A894 G895 H899 G900 K901 M903 L906T721-L897 HydrophobicContact CG2-CB 4.18Å; A894-L897 PolarHBondContact O-N 2.61Å; G895-L897 PolarHBondContact O-N 2.74Å; L897-H899 PolarHBondContact O-N 2.86Å; L897-G900 PolarHBondContact O-N 3.06Å; L897-K901 WeakPolarHBondContact CD2-O 3.47Å; L897-M903 HydrophobicContact CD1-CE 3.47Å; L897-M903 VanDerWaalsContact CD1-CE 3.47Å; L897-M903 HydrophobicContact CD1-SD 4.04Å; L897-M903 HydrophobicContact CD2-CB 4.15Å; L897-M903 HydrophobicContact CD2-CE 4.05Å; L897-M903 HydrophobicContact CD2-SD 4.08Å; L897-M903 HydrophobicContact CG-CE 4.43Å; L897-L906 HydrophobicContact CD1-CD2 3.76Å; L897-L906 HydrophobicContact CD2-CB 4.29Å; L897-L906 HydrophobicContact CD2-CD2 3.92Å; L897-L906 HydrophobicContact CG-CD2 3.5Å
898I85.5Confident91.5Very high34 Ų3452 Ų5217%0.17428%0.279CS..G310 helixtrans-74.3-11.717961.1158.3000112.4L463 L717 T721 G895 Q896L463-I898 HydrophobicContact CD1-CB 4.43Å; L463-I898 HydrophobicContact CD1-CG2 4.38Å; L463-I898 HydrophobicContact CD2-CG2 3.99Å; L717-I898 HydrophobicContact CD1-CD1 4.26Å; T721-I898 HydrophobicContact CG2-CG2 3.69Å; G895-I898 WeakPolarHBondContact O-CG1 3.4Å; G895-I898 PolarHBondContact O-N 3.02Å; Q896-I898 PolarHBondContact O-N 2.98Å
899H84.1Confident91.6Very high116 Ų11648.5 Ų48.554%0.53726%0.263SS..G310 helixtrans-99.717.3174.3-61.1-59.5000113S880 G895 Q896 L897S880-H899 PolarHBondContact OG-CD2 3.34Å; G895-H899 PolarHBondContact O-CD2 3.48Å; Q896-H899 CarbonylContact O-C 3.51Å; Q896-H899 PolarHBondContact O-N 3.39Å; Q896-H899 VanDerWaalsContact O-N 3.14Å; L897-H899 PolarHBondContact O-N 2.86Å
900G73.9Confident91.7Very high72 Ų7245.1 Ų45.174%0.74225%0.25SS*.THydrogen-bonded Turntrans93.7316900000115.7Q896 L897Q896-G900 PolarHBondContact O-N 3.18Å; L897-G900 PolarHBondContact O-N 3.06Å
901K83.5Confident91.7Very high47 Ų4744.8 Ų44.820%0.20425%0.249CC..  trans-69.3133.8171-171.3171.5-63.1-163.70109.6Q896 L897 Q905 L906 E909Q896-K901 HydrophobicContact CB-CB 4.14Å; Q896-K901 HydrophobicContact CB-CD 4.32Å; Q896-K901 WeakPolarHBondContact O-CB 3.36Å; Q896-K901 PolarHBondContact O-N 3.13Å; Q896-K901 VanDerWaalsContact O-N 3.15Å; L897-K901 WeakPolarHBondContact CD2-O 3.47Å; K901-Q905 HydrophobicContact CG-CB 4.24Å; K901-L906 HydrophobicContact CD-CB 3.97Å; K901-L906 HydrophobicContact CD-CD1 3.91Å; K901-L906 HydrophobicContact CG-CB 4.31Å; K901-E909 IonicContact NZ-OE1 3.41Å; K901-E909 PolarHBondContact NZ-OE1 3.14Å; K901-E909 IonicContact NZ-OE2 3.3Å; K901-E909 PolarHBondContact NZ-OE2 2.76Å
902A82.3Confident91.7Very high45 Ų4546.7 Ų46.737%0.37226%0.258SS..  trans-74.1145.1178.300000111.4Q905 L906A902-Q905 HydrophobicContact CB-CG 4.43Å; A902-Q905 PolarHBondContact O-N 2.72Å; A902-Q905 VanDerWaalsContact O-N 3.14Å; A902-L906 PolarHBondContact O-N 2.76Å
903M87.3Confident91.7Very high48 Ų4847.1 Ų47.124%0.23626%0.262CS..Hα-helixtrans-54.1-45.1-179.3-177.166.37800114.1P724 M725 R728 L897 Q905 L906 L907P724-M903 HydrophobicContact CB-CE 4.26Å; M725-M903 HydrophobicContact CB-CE 4.25Å; M725-M903 HydrophobicContact CB-SD 3.78Å; M725-M903 HydrophobicContact CG-SD 4.11Å; R728-M903 HydrophobicContact CG-CG 4.26Å; L897-M903 HydrophobicContact CD1-CE 3.47Å; L897-M903 VanDerWaalsContact CD1-CE 3.47Å; L897-M903 HydrophobicContact CD1-SD 4.04Å; L897-M903 HydrophobicContact CD2-CB 4.15Å; L897-M903 HydrophobicContact CD2-CE 4.05Å; L897-M903 HydrophobicContact CD2-SD 4.08Å; L897-M903 HydrophobicContact CG-CE 4.43Å; M903-Q905 VanDerWaalsContact C-N 3.3Å; M903-Q905 PolarHBondContact O-N 2.8Å; M903-L906 PolarHBondContact O-N 2.99Å; M903-L907 VanDerWaalsContact O-CB 3.31Å; M903-L907 WeakPolarHBondContact O-CB 3.21Å; M903-L907 PolarHBondContact O-N 2.86Å
904P86.7Confident91.7Very high97 Ų9745.5 Ų45.563%0.6325%0.254SS*.Hα-helixtrans-61.6-37.3178.6-24.735.9000113.5E908P904-E908 PolarHBondContact O-N 3.5Å; P904-E908 VanDerWaalsContact O-N 3.12Å
905Q88.3Confident91.7Very high114 Ų11446.6 Ų46.653%0.53326%0.26SS..Hα-helixtrans-68.7-45178.2-66.4174.1-11.400111.2K901 A902 M903 L907 E908 E909K901-Q905 HydrophobicContact CG-CB 4.24Å; A902-Q905 HydrophobicContact CB-CG 4.43Å; A902-Q905 PolarHBondContact O-N 2.72Å; A902-Q905 VanDerWaalsContact O-N 3.14Å; M903-Q905 VanDerWaalsContact C-N 3.3Å; M903-Q905 PolarHBondContact O-N 2.8Å; Q905-L907 VanDerWaalsContact C-N 3.32Å; Q905-L907 PolarHBondContact O-N 3.4Å; Q905-E908 PolarHBondContact O-N 3.48Å; Q905-E909 PolarHBondContact O-N 3.01Å
906L93.2Very high91.9Very high0 Ų050.9 Ų50.90%028%0.281CS..Hα-helixtrans-64.8-39.2177.3-174.472.5000111.5M725 F892 A894 Q896 L897 K901 A902 M903 E908 E909 F910M725-L906 HydrophobicContact CG-CD2 4.21Å; F892-L906 HydrophobicContact CE1-CD1 3.59Å; F892-L906 HydrophobicContact CE1-CD2 4.31Å; F892-L906 HydrophobicContact CE1-CG 3.9Å; F892-L906 HydrophobicContact CZ-CD1 3.52Å; F892-L906 HydrophobicContact CZ-CG 4.03Å; A894-L906 HydrophobicContact CB-CD2 4.27Å; Q896-L906 HydrophobicContact CB-CD1 4.12Å; L897-L906 HydrophobicContact CD1-CD2 3.76Å; L897-L906 HydrophobicContact CD2-CB 4.29Å; L897-L906 HydrophobicContact CD2-CD2 3.92Å; L897-L906 HydrophobicContact CG-CD2 3.5Å; K901-L906 HydrophobicContact CD-CB 3.97Å; K901-L906 HydrophobicContact CD-CD1 3.91Å; K901-L906 HydrophobicContact CG-CB 4.31Å; A902-L906 PolarHBondContact O-N 2.76Å; M903-L906 PolarHBondContact O-N 2.99Å; L906-E908 VanDerWaalsContact C-N 3.34Å; L906-E908 PolarHBondContact O-N 2.76Å; L906-E909 PolarHBondContact O-N 2.63Å; L906-F910 WeakPolarHBondContact O-CB 3.41Å; L906-F910 PolarHBondContact O-N 3.38Å
907L97.2Very high92Very high22 Ų2248.7 Ų48.712%0.11527%0.27CS..Hα-helixtrans-60.9-43.2177.6177.963.6000111.5R728 F729 M903 Q905 F910 I911R728-L907 HydrophobicContact CB-CD1 4.14Å; R728-L907 HydrophobicContact CB-CD2 3.82Å; F729-L907 HydrophobicContact CB-CD1 3.9Å; M903-L907 VanDerWaalsContact O-CB 3.31Å; M903-L907 WeakPolarHBondContact O-CB 3.21Å; M903-L907 PolarHBondContact O-N 2.86Å; Q905-L907 VanDerWaalsContact C-N 3.32Å; Q905-L907 PolarHBondContact O-N 3.4Å; L907-F910 PolarHBondContact O-N 3.24Å; L907-I911 HydrophobicContact CD1-CD1 4.18Å; L907-I911 HydrophobicContact CD1-CG1 4.35Å; L907-I911 HydrophobicContact CG-CD1 3.92Å; L907-I911 VanDerWaalsContact O-CG1 3.28Å; L907-I911 WeakPolarHBondContact O-CG1 3.2Å; L907-I911 PolarHBondContact O-N 3.41Å
908E97.7Very high92.7Very high104 Ų10447.2 Ų47.249%0.48626%0.262SS..Hα-helixtrans-61-46.5176.2-177.4165.3-149.500111.8R553 P904 Q905 L906 F910 I911 D912R553-E908 IonicContact NH2-OE1 3.81Å; R553-E908 PolarHBondContact NH2-OE1 3.46Å; R553-E908 VanDerWaalsContact NH2-OE1 3.12Å; P904-E908 PolarHBondContact O-N 3.5Å; P904-E908 VanDerWaalsContact O-N 3.12Å; Q905-E908 PolarHBondContact O-N 3.48Å; L906-E908 VanDerWaalsContact C-N 3.34Å; L906-E908 PolarHBondContact O-N 2.76Å; E908-F910 VanDerWaalsContact C-N 3.28Å; E908-F910 PolarHBondContact O-N 2.9Å; E908-I911 PolarHBondContact O-N 3.02Å; E908-D912 PolarHBondContact O-N 3.24Å
909E98.5Very high93.3Very high76 Ų7648.5 Ų48.536%0.35527%0.27SS..Hα-helixtrans-61.3-37.1175.3-69.9175.7-168.700112.6F892 K901 Q905 L906 T913F892-E909 HydrophobicContact CE2-CB 4.14Å; F892-E909 HydrophobicContact CZ-CB 4.16Å; K901-E909 IonicContact NZ-OE1 3.41Å; K901-E909 PolarHBondContact NZ-OE1 3.14Å; K901-E909 IonicContact NZ-OE2 3.3Å; K901-E909 PolarHBondContact NZ-OE2 2.76Å; Q905-E909 PolarHBondContact O-N 3.01Å; L906-E909 PolarHBondContact O-N 2.63Å; E909-T913 WeakPolarHBondContact O-CB 3.28Å; E909-T913 PolarHBondContact O-N 3.05Å; E909-T913 PolarHBondContact O-OG1 2.92Å
910F98.8Very high93.9Very high0 Ų044 Ų440%026%0.255CS..Hα-helixtrans-66.4-47.1176.4-178.5-113.7000111M725 L726 F729 L858 I876 F892 L906 L907 E908 D912 T913 I914M725-F910 HydrophobicContact CE-CB 4.39Å; M725-F910 HydrophobicContact CE-CD1 4.4Å; M725-F910 HydrophobicContact CE-CD2 3.93Å; M725-F910 HydrophobicContact CE-CE2 4.31Å; M725-F910 HydrophobicContact CE-CG 3.98Å; M725-F910 HydrophobicContact SD-CB 3.82Å; M725-F910 HydrophobicContact SD-CD1 3.41Å; M725-F910 WeakPolarHBondContact SD-CD1 3.15Å; M725-F910 HydrophobicContact SD-CD2 4Å; M725-F910 HydrophobicContact SD-CE1 3.92Å; M725-F910 HydrophobicContact SD-CE2 4.45Å; M725-F910 HydrophobicContact SD-CG 3.45Å; M725-F910 WeakPolarHBondContact SD-CG 3.42Å; M725-F910 HydrophobicContact SD-CZ 4.41Å; L726-F910 HydrophobicContact CD2-CE1 3.88Å; L726-F910 HydrophobicContact CD2-CZ 3.79Å; F729-F910 HydrophobicContact CB-CD1 4.1Å; F729-F910 HydrophobicContact CB-CE1 3.97Å; F729-F910 HydrophobicContact CD1-CE1 4.12Å; F729-F910 AromaticContact CD2-CD1 3.76Å; F729-F910 HydrophobicContact CD2-CD1 3.76Å; F729-F910 AromaticContact CD2-CE1 3.73Å; F729-F910 HydrophobicContact CD2-CE1 3.73Å; F729-F910 HydrophobicContact CE2-CD1 4.45Å; F729-F910 HydrophobicContact CE2-CE1 4.25Å; F729-F910 AromaticContact CG-CD1 4Å; F729-F910 HydrophobicContact CG-CD1 4Å; F729-F910 AromaticContact CG-CE1 3.65Å; F729-F910 HydrophobicContact CG-CE1 3.65Å; L858-F910 HydrophobicContact CD1-CE1 4.22Å; L858-F910 HydrophobicContact CD1-CZ 4.08Å; L858-F910 HydrophobicContact CD2-CZ 4.24Å; I876-F910 HydrophobicContact CD1-CE2 3.61Å; I876-F910 HydrophobicContact CD1-CZ 3.62Å; I876-F910 HydrophobicContact CG1-CE2 3.9Å; I876-F910 HydrophobicContact CG1-CZ 4.4Å; F892-F910 HydrophobicContact CB-CD2 4.27Å; F892-F910 HydrophobicContact CB-CE2 4.47Å; F892-F910 HydrophobicContact CD1-CB 4.5Å; F892-F910 AromaticContact CD1-CD2 3.69Å; F892-F910 HydrophobicContact CD1-CD2 3.69Å; F892-F910 HydrophobicContact CD1-CE2 4.43Å; F892-F910 HydrophobicContact CD1-CG 4.49Å; F892-F910 HydrophobicContact CD2-CD2 4.04Å; F892-F910 HydrophobicContact CE1-CB 3.89Å; F892-F910 AromaticContact CE1-CD2 3.94Å; F892-F910 HydrophobicContact CE1-CD2 3.94Å; F892-F910 HydrophobicContact CE1-CG 4.31Å; F892-F910 HydrophobicContact CE2-CB 4.05Å; F892-F910 HydrophobicContact CE2-CD2 4.28Å; F892-F910 AromaticContact CG-CD2 3.73Å; F892-F910 HydrophobicContact CG-CD2 3.73Å; F892-F910 HydrophobicContact CG-CE2 4.39Å; F892-F910 HydrophobicContact CZ-CB 3.63Å; F892-F910 HydrophobicContact CZ-CD2 4.23Å; F892-F910 HydrophobicContact CZ-CG 4.43Å; L906-F910 WeakPolarHBondContact O-CB 3.41Å; L906-F910 PolarHBondContact O-N 3.38Å; L907-F910 PolarHBondContact O-N 3.24Å; E908-F910 VanDerWaalsContact C-N 3.28Å; E908-F910 PolarHBondContact O-N 2.9Å; F910-D912 VanDerWaalsContact C-N 3.31Å; F910-D912 PolarHBondContact O-N 2.82Å; F910-T913 WeakPolarHBondContact O-CB 3.44Å; F910-T913 PolarHBondContact O-N 3.24Å; F910-T913 VanDerWaalsContact O-N 3.14Å; F910-I914 HydrophobicContact CD1-CG1 4.33Å; F910-I914 HydrophobicContact CE1-CD1 4.35Å; F910-I914 HydrophobicContact CE1-CG1 3.93Å; F910-I914 HydrophobicContact CE2-CD1 3.89Å; F910-I914 HydrophobicContact CE2-CG1 4.11Å; F910-I914 HydrophobicContact CZ-CD1 3.73Å; F910-I914 HydrophobicContact CZ-CG1 3.82Å; F910-I914 WeakPolarHBondContact O-CG1 3.38Å; F910-I914 PolarHBondContact O-N 2.74Å
911I98.8Very high95.1Very high7 Ų745.4 Ų45.44%0.03624%0.241CC..Hα-helixtrans-55.9-47.6175.8-71.5163.6000110.4R553 L702 F729 Y732 L907 E908 T913 I914 V915R553-I911 HydrophobicContact CG-CG2 3.45Å; R553-I911 VanDerWaalsContact CG-CG2 3.45Å; L702-I911 HydrophobicContact CD2-CG2 4.31Å; F729-I911 HydrophobicContact CD2-CG1 3.84Å; F729-I911 HydrophobicContact CE2-CG1 4.09Å; Y732-I911 HydrophobicContact CD1-CD1 3.59Å; Y732-I911 HydrophobicContact CD1-CG1 3.94Å; Y732-I911 HydrophobicContact CD2-CD1 4.13Å; Y732-I911 HydrophobicContact CE1-CD1 3.68Å; Y732-I911 HydrophobicContact CE1-CG1 3.92Å; Y732-I911 HydrophobicContact CE1-CG2 4.04Å; Y732-I911 HydrophobicContact CE2-CD1 4.22Å; Y732-I911 HydrophobicContact CG-CD1 3.84Å; L907-I911 HydrophobicContact CD1-CD1 4.18Å; L907-I911 HydrophobicContact CD1-CG1 4.35Å; L907-I911 HydrophobicContact CG-CD1 3.92Å; L907-I911 VanDerWaalsContact O-CG1 3.28Å; L907-I911 WeakPolarHBondContact O-CG1 3.2Å; L907-I911 PolarHBondContact O-N 3.41Å; E908-I911 PolarHBondContact O-N 3.02Å; I911-T913 VanDerWaalsContact C-N 3.3Å; I911-T913 PolarHBondContact O-N 3.13Å; I911-I914 PolarHBondContact O-N 3.2Å; I911-I914 VanDerWaalsContact O-N 3.13Å; I911-V915 WeakPolarHBondContact O-CG2 3.16Å; I911-V915 PolarHBondContact O-N 3.24Å
912D98.7Very high95.8Very high68 Ų6847.4 Ų47.436%0.36425%0.251SS..Hα-helixtrans-63.2-38.2179.7-67.8-9.9000111.4R553 E908 F910 I914 V915 E916R553-D912 IonicContact CZ-OD1 3.84Å; R553-D912 IonicContact NE-OD1 3.59Å; R553-D912 PolarHBondContact NE-OD1 2.8Å; R553-D912 IonicContact NH2-OD1 3.58Å; R553-D912 PolarHBondContact NH2-OD1 3.3Å; R553-D912 VanDerWaalsContact NH2-OD1 3.17Å; E908-D912 PolarHBondContact O-N 3.24Å; F910-D912 VanDerWaalsContact C-N 3.31Å; F910-D912 PolarHBondContact O-N 2.82Å; D912-I914 PolarHBondContact O-N 3.24Å; D912-V915 WeakPolarHBondContact O-CB 3.44Å; D912-V915 PolarHBondContact O-N 3.36Å; D912-E916 PolarHBondContact O-N 3.02Å
913T98.8Very high96.6Very high25 Ų2545.2 Ų45.215%0.15323%0.233CC..Hα-helixtrans-62.2-42.4173.4-590000111.8F892 E909 F910 I911 V915 E916 F917F892-T913 HydrophobicContact CD2-CG2 4.18Å; E909-T913 WeakPolarHBondContact O-CB 3.28Å; E909-T913 PolarHBondContact O-N 3.05Å; E909-T913 PolarHBondContact O-OG1 2.92Å; F910-T913 WeakPolarHBondContact O-CB 3.44Å; F910-T913 PolarHBondContact O-N 3.24Å; F910-T913 VanDerWaalsContact O-N 3.14Å; I911-T913 VanDerWaalsContact C-N 3.3Å; I911-T913 PolarHBondContact O-N 3.13Å; T913-V915 VanDerWaalsContact C-N 3.35Å; T913-E916 WeakPolarHBondContact O-CB 3.48Å; T913-E916 PolarHBondContact O-N 2.99Å; T913-F917 HydrophobicContact CG2-CD2 4.14Å; T913-F917 HydrophobicContact CG2-CE2 3.46Å; T913-F917 VanDerWaalsContact CG2-CE2 3.46Å; T913-F917 HydrophobicContact CG2-CZ 3.91Å; T913-F917 VanDerWaalsContact O-CD2 3.31Å; T913-F917 WeakPolarHBondContact O-CD2 3.46Å; T913-F917 PolarHBondContact O-N 3.42Å
914I98.8Very high97.1Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-64.7-39.4175.5-63.8-52.6000111.2L702 F707 F729 L858 V874 F910 I911 D912 E916 F917 A918L702-I914 HydrophobicContact CD1-CG2 4.02Å; F707-I914 HydrophobicContact CE1-CG2 3.59Å; F707-I914 HydrophobicContact CZ-CG2 3.92Å; F729-I914 HydrophobicContact CE2-CB 4.48Å; F729-I914 HydrophobicContact CE2-CG1 4.21Å; F729-I914 HydrophobicContact CZ-CG1 4.31Å; F729-I914 HydrophobicContact CZ-CG2 4.19Å; L858-I914 HydrophobicContact CD2-CD1 3.59Å; V874-I914 HydrophobicContact CG1-CD1 4.14Å; V874-I914 HydrophobicContact CG2-CD1 4.07Å; F910-I914 HydrophobicContact CD1-CG1 4.33Å; F910-I914 HydrophobicContact CE1-CD1 4.35Å; F910-I914 HydrophobicContact CE1-CG1 3.93Å; F910-I914 HydrophobicContact CE2-CD1 3.89Å; F910-I914 HydrophobicContact CE2-CG1 4.11Å; F910-I914 HydrophobicContact CZ-CD1 3.73Å; F910-I914 HydrophobicContact CZ-CG1 3.82Å; F910-I914 WeakPolarHBondContact O-CG1 3.38Å; F910-I914 PolarHBondContact O-N 2.74Å; I911-I914 PolarHBondContact O-N 3.2Å; I911-I914 VanDerWaalsContact O-N 3.13Å; D912-I914 PolarHBondContact O-N 3.24Å; I914-E916 VanDerWaalsContact C-N 3.32Å; I914-E916 PolarHBondContact O-N 3.17Å; I914-F917 HydrophobicContact CD1-CD2 4.32Å; I914-F917 PolarHBondContact O-N 3.05Å; I914-A918 WeakPolarHBondContact O-CB 3.23Å; I914-A918 PolarHBondContact O-N 3.36Å
915V98.9Very high97.6Very high22 Ų2238.4 Ų38.413%0.13319%0.192CC..Hα-helixtrans-59.4-42.8174.6168.60000111.1R553 V555 L702 I911 D912 T913 F917 A918 N919R553-V915 HydrophobicContact CB-CG2 3.55Å; R553-V915 HydrophobicContact CG-CG2 3.85Å; V555-V915 HydrophobicContact CG1-CB 4.49Å; V555-V915 HydrophobicContact CG1-CG1 4.24Å; V555-V915 HydrophobicContact CG1-CG2 4.2Å; L702-V915 HydrophobicContact CD1-CG2 4.44Å; L702-V915 HydrophobicContact CD2-CG2 4.39Å; I911-V915 WeakPolarHBondContact O-CG2 3.16Å; I911-V915 PolarHBondContact O-N 3.24Å; D912-V915 WeakPolarHBondContact O-CB 3.44Å; D912-V915 PolarHBondContact O-N 3.36Å; T913-V915 VanDerWaalsContact C-N 3.35Å; V915-F917 PolarHBondContact O-N 3.18Å; V915-A918 PolarHBondContact O-N 3.08Å; V915-N919 WeakPolarHBondContact CG1-ND2 3.31Å; V915-N919 WeakPolarHBondContact O-CB 3.23Å; V915-N919 PolarHBondContact O-N 3.24Å; V915-N919 PolarHBondContact O-ND2 2.85Å
916E98.8Very high98.1Very high91 Ų9133.4 Ų33.443%0.42517%0.169SC..Hα-helixtrans-59.3-44.8175.1-68.4-175.3168.500112.2D912 T913 I914 A918 N919 G920 K921D912-E916 PolarHBondContact O-N 3.02Å; T913-E916 WeakPolarHBondContact O-CB 3.48Å; T913-E916 PolarHBondContact O-N 2.99Å; I914-E916 VanDerWaalsContact C-N 3.32Å; I914-E916 PolarHBondContact O-N 3.17Å; E916-A918 VanDerWaalsContact C-N 3.35Å; E916-N919 PolarHBondContact O-N 2.82Å; E916-G920 PolarHBondContact O-N 3.14Å; E916-K921 HydrophobicContact CB-CB 4.26Å; E916-K921 HydrophobicContact CB-CD 3.86Å; E916-K921 WeakPolarHBondContact O-CB 3.41Å; E916-K921 PolarHBondContact O-N 2.89Å; E916-K921 VanDerWaalsContact OE2-CD 3.27Å; E916-K921 WeakPolarHBondContact OE2-CD 3.44Å; E916-K921 WeakPolarHBondContact OE2-CE 3.47Å; E916-K921 IonicContact OE2-NZ 3.14Å; E916-K921 PolarHBondContact OE2-NZ 3.37Å
917F98.8Very high98.2Very high3 Ų339.3 Ų39.31%0.01319%0.191CC..Hα-helixtrans-66.5-37177.5-63.1-41.4000112.5R568 M856 V874 D891 T913 I914 V915 N919 G920 K921 T923R568-F917 PolarHBondContact NH1-O 2.99Å; R568-F917 PolarHBondContact NH2-O 2.91Å; M856-F917 HydrophobicContact CE-CB 4Å; M856-F917 HydrophobicContact SD-CB 4.24Å; V874-F917 HydrophobicContact CG1-CD2 4.18Å; V874-F917 HydrophobicContact CG1-CE2 3.73Å; V874-F917 HydrophobicContact CG2-CD2 3.75Å; V874-F917 HydrophobicContact CG2-CE2 4.08Å; D891-F917 HydrophobicContact CB-CE2 4.05Å; D891-F917 HydrophobicContact CB-CZ 3.82Å; T913-F917 HydrophobicContact CG2-CD2 4.14Å; T913-F917 HydrophobicContact CG2-CE2 3.46Å; T913-F917 VanDerWaalsContact CG2-CE2 3.46Å; T913-F917 HydrophobicContact CG2-CZ 3.91Å; T913-F917 VanDerWaalsContact O-CD2 3.31Å; T913-F917 WeakPolarHBondContact O-CD2 3.46Å; T913-F917 PolarHBondContact O-N 3.42Å; I914-F917 HydrophobicContact CD1-CD2 4.32Å; I914-F917 PolarHBondContact O-N 3.05Å; V915-F917 PolarHBondContact O-N 3.18Å; F917-N919 VanDerWaalsContact C-N 3.28Å; F917-N919 PolarHBondContact O-N 3.43Å; F917-G920 PolarHBondContact O-N 3.16Å; F917-K921 WeakPolarHBondContact CA-O 3.32Å; F917-K921 HydrophobicContact CD1-CB 4.04Å; F917-K921 HydrophobicContact CD1-CD 4.2Å; F917-K921 HydrophobicContact CD1-CG 4.12Å; F917-K921 WeakPolarHBondContact CD1-O 3.31Å; F917-K921 HydrophobicContact CE1-CD 4.02Å; F917-K921 HydrophobicContact CE1-CG 4.18Å; F917-T923 HydrophobicContact CB-CG2 4.31Å; F917-T923 HydrophobicContact CD1-CG2 3.75Å; F917-T923 HydrophobicContact CD2-CG2 3.95Å; F917-T923 HydrophobicContact CE1-CG2 3.99Å; F917-T923 HydrophobicContact CE2-CG2 4.17Å; F917-T923 HydrophobicContact CG-CG2 3.75Å; F917-T923 HydrophobicContact CZ-CG2 4.2Å
918A98.6Very high98.2Very high0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-63.5-39.2175.900000110.8V555 V567 R697 L705 M856 I914 V915 E916 G920V555-A918 HydrophobicContact CB-CB 4.15Å; V555-A918 HydrophobicContact CG1-CB 3.75Å; V567-A918 HydrophobicContact CG1-CB 4.31Å; R697-A918 PolarHBondContact NH1-O 3.06Å; L705-A918 HydrophobicContact CD1-CB 3.82Å; M856-A918 HydrophobicContact CE-CB 3.9Å; M856-A918 VanDerWaalsContact CE-N 3.35Å; I914-A918 WeakPolarHBondContact O-CB 3.23Å; I914-A918 PolarHBondContact O-N 3.36Å; V915-A918 PolarHBondContact O-N 3.08Å; E916-A918 VanDerWaalsContact C-N 3.35Å; A918-G920 PolarHBondContact O-N 2.84Å
919N98.5Very high98Very high61 Ų6141.2 Ų41.233%0.32621%0.205SC..THydrogen-bonded Turntrans-74.81.4178.3-68.3-21.3000114.5V555 Q556 V915 E916 F917V555-N919 VanDerWaalsContact CA-OD1 3.24Å; V555-N919 WeakPolarHBondContact CA-OD1 3.38Å; Q556-N919 PolarHBondContact N-OD1 2.97Å; V915-N919 WeakPolarHBondContact CG1-ND2 3.31Å; V915-N919 WeakPolarHBondContact O-CB 3.23Å; V915-N919 PolarHBondContact O-N 3.24Å; V915-N919 PolarHBondContact O-ND2 2.85Å; E916-N919 PolarHBondContact O-N 2.82Å; F917-N919 VanDerWaalsContact C-N 3.28Å; F917-N919 PolarHBondContact O-N 3.43Å
920G96.9Very high97.9Very high23 Ų2341 Ų4124%0.23720%0.203CC..THydrogen-bonded Turntrans108.51.2171.900000115.2R697 E916 F917 A918 Q922R697-G920 VanDerWaalsContact NH2-CA 3.3Å; E916-G920 PolarHBondContact O-N 3.14Å; F917-G920 PolarHBondContact O-N 3.16Å; A918-G920 PolarHBondContact O-N 2.84Å; G920-Q922 PolarHBondContact O-N 3.45Å
921K98.3Very high97.7Very high100 Ų10042.1 Ų42.144%0.43521%0.207SC..PPolyproline II helixtrans-60.3129.8166.6-171.7-177.8-178.2-174.30108.3R568 E916 F917R568-K921 PolarHBondContact NH2-O 3.27Å; E916-K921 HydrophobicContact CB-CB 4.26Å; E916-K921 HydrophobicContact CB-CD 3.86Å; E916-K921 WeakPolarHBondContact O-CB 3.41Å; E916-K921 PolarHBondContact O-N 2.89Å; E916-K921 VanDerWaalsContact OE2-CD 3.27Å; E916-K921 WeakPolarHBondContact OE2-CD 3.44Å; E916-K921 WeakPolarHBondContact OE2-CE 3.47Å; E916-K921 IonicContact OE2-NZ 3.14Å; E916-K921 PolarHBondContact OE2-NZ 3.37Å; F917-K921 WeakPolarHBondContact CA-O 3.32Å; F917-K921 HydrophobicContact CD1-CB 4.04Å; F917-K921 HydrophobicContact CD1-CD 4.2Å; F917-K921 HydrophobicContact CD1-CG 4.12Å; F917-K921 WeakPolarHBondContact CD1-O 3.31Å; F917-K921 HydrophobicContact CE1-CD 4.02Å; F917-K921 HydrophobicContact CE1-CG 4.18Å
922Q98.3Very high97.5Very high89 Ų8946.7 Ų46.742%0.41623%0.228SC..PPolyproline II helixtrans-71.5138.3175.6-70.9-176.6-34.500110.2G920 E926 R927G920-Q922 PolarHBondContact O-N 3.45Å; Q922-E926 WeakPolarHBondContact CA-OE2 3.41Å; Q922-E926 HydrophobicContact CB-CB 4.02Å; Q922-E926 HydrophobicContact CG-CB 4.28Å; Q922-R927 HydrophobicContact CB-CG 3.74Å; Q922-R927 PolarHBondContact O-NH1 2.98Å
923T98.5Very high97.4Very high0 Ų044.5 Ų44.50%022%0.216CC..PPolyproline II helixtrans-73.8167.3167.554.30000111.1P872 V874 F917 N925 E926 R927P872-T923 HydrophobicContact CB-CG2 4.01Å; V874-T923 HydrophobicContact CG2-CG2 3.77Å; F917-T923 HydrophobicContact CB-CG2 4.31Å; F917-T923 HydrophobicContact CD1-CG2 3.75Å; F917-T923 HydrophobicContact CD2-CG2 3.95Å; F917-T923 HydrophobicContact CE1-CG2 3.99Å; F917-T923 HydrophobicContact CE2-CG2 4.17Å; F917-T923 HydrophobicContact CG-CG2 3.75Å; F917-T923 HydrophobicContact CZ-CG2 4.2Å; T923-N925 VanDerWaalsContact C-N 3.28Å; T923-N925 PolarHBondContact O-N 3.02Å; T923-N925 PolarHBondContact OG1-OD1 3.45Å; T923-E926 PolarHBondContact N-OE2 3.45Å; T923-E926 PolarHBondContact O-N 2.81Å; T923-E926 VanDerWaalsContact OG1-CG 3.3Å; T923-E926 WeakPolarHBondContact OG1-CG 3.45Å; T923-E926 PolarHBondContact OG1-OE2 2.86Å; T923-R927 PolarHBondContact O-N 2.92Å
924C98.2Very high97.2Very high1 Ų144.4 Ų44.41%0.00722%0.218CC..Hα-helixtrans-55.9-41.2179-78.90000112.6W889 I890 D891 E926 R927 N928W889-C924 WeakPolarHBondContact O-CB 3.47Å; I890-C924 PolarHBondContact O-SG 3.37Å; I890-C924 VanDerWaalsContact O-SG 3.39Å; D891-C924 WeakPolarHBondContact OD1-CB 3Å; D891-C924 PolarHBondContact OD1-N 3.36Å; D891-C924 PolarHBondContact OD1-SG 2.64Å; D891-C924 PolarHBondContact OD2-N 3.47Å; C924-E926 VanDerWaalsContact C-N 3.34Å; C924-E926 PolarHBondContact O-N 3.34Å; C924-R927 PolarHBondContact O-N 3.2Å; C924-R927 PolarHBondContact SG-NH2 2.96Å; C924-N928 WeakPolarHBondContact O-CB 3.41Å; C924-N928 VanDerWaalsContact O-CG 3.24Å; C924-N928 PolarHBondContact O-N 3.37Å; C924-N928 PolarHBondContact O-ND2 2.92Å
925N97.3Very high97Very high1 Ų144.7 Ų44.71%0.00522%0.219CC..Hα-helixtrans-68-37-178.682.1-77.7000112.2T873 K875 T923 N928 D929 F930T873-N925 PolarHBondContact N-OD1 3.01Å; T873-N925 PolarHBondContact O-OD1 3.38Å; T873-N925 VanDerWaalsContact O-OD1 3.09Å; K875-N925 VanDerWaalsContact NZ-CB 3.28Å; T923-N925 VanDerWaalsContact C-N 3.28Å; T923-N925 PolarHBondContact O-N 3.02Å; T923-N925 PolarHBondContact OG1-OD1 3.45Å; N925-N928 PolarHBondContact O-N 3.41Å; N925-D929 PolarHBondContact O-N 3.27Å; N925-F930 HydrophobicContact CB-CB 4.15Å; N925-F930 PolarHBondContact ND2-O 3.2Å; N925-F930 PolarHBondContact O-N 3.3Å
926E97.8Very high96.7Very high8 Ų845.1 Ų45.14%0.03722%0.22CC..Hα-helixtrans-65.1-44.2175.8-65.6177.295.400111.4R568 Q922 T923 C924 N928 D929 R931R568-E926 IonicContact CZ-OE1 2.75Å; R568-E926 IonicContact CZ-OE2 2.87Å; R568-E926 IonicContact NE-OE1 2.72Å; R568-E926 PolarHBondContact NE-OE1 3.25Å; R568-E926 IonicContact NE-OE2 3.7Å; R568-E926 IonicContact NH2-OE1 3.26Å; R568-E926 PolarHBondContact NH2-OE1 3.39Å; R568-E926 IonicContact NH2-OE2 3.65Å; R568-E926 PolarHBondContact NH2-OE2 2.88Å; Q922-E926 WeakPolarHBondContact CA-OE2 3.41Å; Q922-E926 HydrophobicContact CB-CB 4.02Å; Q922-E926 HydrophobicContact CG-CB 4.28Å; T923-E926 PolarHBondContact N-OE2 3.45Å; T923-E926 PolarHBondContact O-N 2.81Å; T923-E926 VanDerWaalsContact OG1-CG 3.3Å; T923-E926 WeakPolarHBondContact OG1-CG 3.45Å; T923-E926 PolarHBondContact OG1-OE2 2.86Å; C924-E926 VanDerWaalsContact C-N 3.34Å; C924-E926 PolarHBondContact O-N 3.34Å; E926-N928 VanDerWaalsContact C-N 3.28Å; E926-N928 PolarHBondContact O-N 3Å; E926-D929 PolarHBondContact O-N 3.34Å; E926-R931 IonicContact OE1-NH2 3.89Å; E926-R931 PolarHBondContact OE1-NH2 3.4Å
927R96.8Very high96.2Very high125 Ų12543.6 Ų43.647%0.47221%0.212SC..Hα-helixtrans-64.4-32.6177.5-68.7-168.3-58.7-93.81.9113.1Q922 T923 C924 D929Q922-R927 HydrophobicContact CB-CG 3.74Å; Q922-R927 PolarHBondContact O-NH1 2.98Å; T923-R927 PolarHBondContact O-N 2.92Å; C924-R927 PolarHBondContact O-N 3.2Å; C924-R927 PolarHBondContact SG-NH2 2.96Å; R927-D929 VanDerWaalsContact C-N 3.33Å
928N96.6Very high95.6Very high58 Ų5845.7 Ų45.731%0.3123%0.227SC..THydrogen-bonded Turntrans-88.3-1.2178.4-64.1-37000113.3H888 C924 N925 E926 F930H888-N928 PolarHBondContact O-ND2 2.91Å; C924-N928 WeakPolarHBondContact O-CB 3.41Å; C924-N928 VanDerWaalsContact O-CG 3.24Å; C924-N928 PolarHBondContact O-N 3.37Å; C924-N928 PolarHBondContact O-ND2 2.92Å; N925-N928 PolarHBondContact O-N 3.41Å; E926-N928 VanDerWaalsContact C-N 3.28Å; E926-N928 PolarHBondContact O-N 3Å; N928-F930 VanDerWaalsContact C-N 3.26Å; N928-F930 HydrophobicContact CB-CD1 4.01Å; N928-F930 HydrophobicContact CB-CD2 3.73Å; N928-F930 HydrophobicContact CB-CE1 3.86Å; N928-F930 HydrophobicContact CB-CE2 3.58Å; N928-F930 HydrophobicContact CB-CG 3.95Å; N928-F930 HydrophobicContact CB-CZ 3.64Å; N928-F930 WeakPolarHBondContact O-CD1 3.46Å; N928-F930 WeakPolarHBondContact O-CE1 3.34Å; N928-F930 PolarHBondContact O-N 3.37Å
929D94.1Very high94.8Very high108 Ų10847.2 Ų47.258%0.57824%0.243SC*.THydrogen-bonded Turntrans57.234.4-174.1-158.936.1000114.1N925 E926 R927 R931N925-D929 PolarHBondContact O-N 3.27Å; E926-D929 PolarHBondContact O-N 3.34Å; R927-D929 VanDerWaalsContact C-N 3.33Å; D929-R931 PolarHBondContact O-N 2.97Å; D929-R931 IonicContact OD1-NE 3.56Å
930F95.1Very high93.9Very high70 Ų7049.5 Ų49.531%0.30726%0.259SS..  trans-87.386.9172-57.1-20.5000108.7P866 G868 N925 N928P866-F930 HydrophobicContact CB-CD2 4.33Å; P866-F930 HydrophobicContact CB-CE2 4.06Å; P866-F930 WeakPolarHBondContact O-CD2 3.43Å; G868-F930 CarbonylContact C-O 3.6Å; G868-F930 WeakPolarHBondContact CA-O 3.24Å; N925-F930 HydrophobicContact CB-CB 4.15Å; N925-F930 PolarHBondContact ND2-O 3.2Å; N925-F930 PolarHBondContact O-N 3.3Å; N928-F930 VanDerWaalsContact C-N 3.26Å; N928-F930 HydrophobicContact CB-CD1 4.01Å; N928-F930 HydrophobicContact CB-CD2 3.73Å; N928-F930 HydrophobicContact CB-CE1 3.86Å; N928-F930 HydrophobicContact CB-CE2 3.58Å; N928-F930 HydrophobicContact CB-CG 3.95Å; N928-F930 HydrophobicContact CB-CZ 3.64Å; N928-F930 WeakPolarHBondContact O-CD1 3.46Å; N928-F930 WeakPolarHBondContact O-CE1 3.34Å; N928-F930 PolarHBondContact O-N 3.37Å
931R94.3Very high92.9Very high24 Ų2452.1 Ų52.19%0.09127%0.27CS..  trans-129.985.6-175.7-66.1179.7-178.2-97.25.2110.2E570 F605 F607 E926 D929E570-R931 IonicContact OE1-CZ 2.88Å; E570-R931 IonicContact OE1-NH1 2.85Å; E570-R931 PolarHBondContact OE1-NH1 3.49Å; E570-R931 IonicContact OE1-NH2 3.8Å; E570-R931 IonicContact OE2-NH1 3.37Å; F605-R931 VanDerWaalsContact CZ-CZ 3.46Å; F607-R931 HydrophobicContact CE1-CB 4.17Å; E926-R931 IonicContact OE1-NH2 3.89Å; E926-R931 PolarHBondContact OE1-NH2 3.4Å; D929-R931 PolarHBondContact O-N 2.97Å; D929-R931 IonicContact OD1-NE 3.56Å
932E95.2Very high91.9Very high104 Ų10455.5 Ų55.549%0.48629%0.292SS..BIsolated β-bridgetrans-107.8154.2-173.6-64.9-176.3-150.800112.2Y867 G868 G869 F870Y867-E932 HydrophobicContact CE2-CB 3.55Å; Y867-E932 HydrophobicContact CE2-CG 4.17Å; Y867-E932 WeakPolarHBondContact CE2-OE2 3.43Å; Y867-E932 PolarHBondContact OH-O 3.01Å; G868-E932 PolarHBondContact O-N 2.89Å; G869-E932 WeakPolarHBondContact CA-O 3.3Å; F870-E932 PolarHBondContact N-O 3.23Å
933L96.7Very high91.6Very high21 Ų2153.9 Ų53.911%0.1129%0.286CS..  trans-121.8120.6172.6171.464000108.5F607 H609 M626 L627 M630 F870 I935F607-L933 HydrophobicContact CB-CB 4.43Å; F607-L933 HydrophobicContact CB-CD2 4.31Å; H609-L933 HydrophobicContact CB-CD2 4.44Å; M626-L933 HydrophobicContact CG-CD1 3.94Å; L627-L933 HydrophobicContact CD2-CD2 4.07Å; M630-L933 HydrophobicContact CE-CD1 4.49Å; M630-L933 HydrophobicContact CE-CD2 4.29Å; M630-L933 HydrophobicContact SD-CD1 3.76Å; M630-L933 HydrophobicContact SD-CD2 3.68Å; M630-L933 HydrophobicContact SD-CG 4.32Å; F870-L933 HydrophobicContact CD1-CD1 4.03Å; F870-L933 HydrophobicContact CE1-CD1 3.85Å; L933-I935 HydrophobicContact CD1-CG1 4.2Å; L933-I935 HydrophobicContact CD2-CD1 4.3Å; L933-I935 HydrophobicContact CD2-CG1 4.47Å; L933-I935 HydrophobicContact CG-CG1 4.15Å
934A95.4Very high91.2Very high23 Ų2356.7 Ų56.719%0.1930%0.301CS..  trans-123122.4173.400000110.2A843 V844 S847A843-A934 HydrophobicContact CB-CB 3.56Å; V844-A934 HydrophobicContact CG2-CB 4.06Å; S847-A934 WeakPolarHBondContact CB-O 3.49Å; S847-A934 PolarHBondContact OG-N 2.98Å; S847-A934 PolarHBondContact OG-O 3.43Å
935I94.7Very high90.8Very high6 Ų659.8 Ų59.83%0.03132%0.317CS..  trans-103.7134.7-178.3-50.7-176.5000108.2Y611 N622 T623 M626 L933 K937Y611-I935 HydrophobicContact CD2-CB 3.9Å; Y611-I935 HydrophobicContact CD2-CD1 4.22Å; Y611-I935 HydrophobicContact CD2-CG1 4.31Å; Y611-I935 HydrophobicContact CE2-CB 3.89Å; N622-I935 HydrophobicContact CB-CG2 4.46Å; T623-I935 HydrophobicContact CG2-CD1 3.9Å; M626-I935 HydrophobicContact CB-CD1 4.27Å; M626-I935 HydrophobicContact CB-CG1 4.41Å; M626-I935 HydrophobicContact CB-CG2 4.39Å; M626-I935 HydrophobicContact CG-CD1 4.27Å; M626-I935 HydrophobicContact CG-CG1 4.1Å; L933-I935 HydrophobicContact CD1-CG1 4.2Å; L933-I935 HydrophobicContact CD2-CD1 4.3Å; L933-I935 HydrophobicContact CD2-CG1 4.47Å; L933-I935 HydrophobicContact CG-CG1 4.15Å; I935-K937 PolarHBondContact O-N 3.11Å
936F92.1Very high90.4Very high32 Ų3263.2 Ų63.214%0.1434%0.336CS..  trans-65131.5178-171.9-136.4000110.3Y778 Y824 P839 V844Y778-F936 HydrophobicContact CE1-CZ 4.19Å; Y778-F936 HydrophobicContact CE2-CZ 4.16Å; Y778-F936 AromaticContact CZ-CZ 3.82Å; Y824-F936 HydrophobicContact CD2-CB 4.4Å; Y824-F936 HydrophobicContact CE1-CB 4Å; Y824-F936 HydrophobicContact CE2-CB 3.78Å; Y824-F936 PolarHBondContact OH-N 3.34Å; P839-F936 HydrophobicContact CB-CE2 4.35Å; P839-F936 HydrophobicContact CG-CD2 3.77Å; P839-F936 HydrophobicContact CG-CE2 3.89Å; P839-F936 HydrophobicContact CG-CG 4.41Å; V844-F936 HydrophobicContact CG1-CB 3.6Å; V844-F936 HydrophobicContact CG1-CD2 4.18Å; V844-F936 HydrophobicContact CG1-CG 4.19Å
937K88.7Confident90Very high58 Ų5866.7 Ų66.725%0.25235%0.354SS..  trans-133.5126.8179.1178.7175-177-77.20108.9Y611 D619 I935 G939 T941Y611-K937 HydrophobicContact CD1-CD 4.46Å; Y611-K937 HydrophobicContact CE1-CD 3.57Å; D619-K937 WeakPolarHBondContact OD1-CA 3.34Å; D619-K937 WeakPolarHBondContact OD2-CG 3.22Å; I935-K937 PolarHBondContact O-N 3.11Å; K937-G939 PolarHBondContact NZ-O 2.74Å; K937-T941 WeakPolarHBondContact CE-OG1 3.49Å; K937-T941 PolarHBondContact NZ-OG1 2.84Å
938S84.4Confident89.5Confident47 Ų4762.8 Ų62.833%0.32935%0.347SS..  trans-117.3-27178.5570000112.9D619D619-S938 PolarHBondContact OD1-N 2.93Å; D619-S938 PolarHBondContact OD1-OG 3.45Å
939G82.9Confident89Confident33 Ų3363.1 Ų63.134%0.3435%0.349SS..SBendtrans-92.8-174.3-17200000115.5D619 K937D619-G939 PolarHBondContact OD1-N 3.14Å; D619-G939 WeakPolarHBondContact OD2-CA 3.31Å; D619-G939 PolarHBondContact OD2-N 3Å; K937-G939 PolarHBondContact NZ-O 2.74Å
940V79.8Confident88.6Confident109 Ų10959.7 Ų59.766%0.66133%0.332SS*.  trans-77.5140.4178.4179.50000110.6
941T76.3Confident88.1Confident78 Ų7858.8 Ų58.848%0.47933%0.334SS..BIsolated β-bridgetrans-88.6124164-50.50000108.1S614 K937S614-T941 WeakPolarHBondContact O-CA 3.45Å; K937-T941 WeakPolarHBondContact CE-OG1 3.49Å; K937-T941 PolarHBondContact NZ-OG1 2.84Å
942L76.5Confident87.5Confident171 Ų17162 Ų6290%0.89536%0.356SS*.  trans-580-179.3-170.387.4000112.6S614S614-L942 PolarHBondContact O-N 3.24Å

Retrieved 942 of 942 residues in 3659.5 ms (Link to these results)

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