A0A087Y4M7_POEFO Loading...

Dynamin-1-like protein

AlphaFold DB , UniProt , Accession A0A087Y4M7, Species POEFO (Poecilia formosa, Amazon molly), Gene DNM1L, Length 679 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
1M42.3Very low65.8Low185 Ų18552.5 Ų52.591%0.91128%0.275SS*.  0-36.70-93.1-176.8-83.700113.7A3M1-A3 PolarHBondContact O-N 2.96Å; M1-A3 VanDerWaalsContact O-N 3.13Å
2E54.2Low66.3Low151 Ų15149.4 Ų49.471%0.70626%0.258SS*.THydrogen-bonded Turntrans-65.3-14.5-177.1-69156.2160.900115.2L4 P6E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.09Å; E2-P6 VanDerWaalsContact O-CD 3.25Å; E2-P6 WeakPolarHBondContact O-CD 3.28Å
3A60.4Low66.8Low51 Ų5150.2 Ų50.242%0.42126%0.263SS..THydrogen-bonded Turntrans-65-20.1-178.900000115.3M1 I5 P6 V7M1-A3 PolarHBondContact O-N 2.96Å; M1-A3 VanDerWaalsContact O-N 3.13Å; A3-I5 PolarHBondContact O-N 2.99Å; A3-P6 WeakPolarHBondContact O-CD 3.26Å; A3-V7 WeakPolarHBondContact O-CG2 3.44Å; A3-V7 PolarHBondContact O-N 3.41Å
4L65.5Low67.3Low11 Ų1148.4 Ų48.46%0.05826%0.255CS..Hα-helixtrans-63.6-38.6-174.9-79174.8000113.7E2 V7 I8 I293 L297 I673 H677E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.09Å; L4-V7 PolarHBondContact O-N 3.35Å; L4-I8 PolarHBondContact O-N 3.27Å; L4-I8 VanDerWaalsContact O-N 3.13Å; L4-I293 HydrophobicContact CB-CG2 4.3Å; L4-I293 HydrophobicContact CD2-CG2 4.2Å; L4-L297 HydrophobicContact CD2-CD1 3.73Å; L4-I673 HydrophobicContact CD2-CG2 3.77Å; L4-H677 WeakPolarHBondContact CD2-NE2 3.32Å
5I67.7Low67.3Low2 Ų245.6 Ų45.61%0.0124%0.24CC..Hα-helixtrans-74.3-47.2-175.4-62.5174.8000111.3A3 V7 I8 N9 N137 N286 L289 M290 I293A3-I5 PolarHBondContact O-N 2.99Å; I5-V7 PolarHBondContact O-N 2.94Å; I5-V7 VanDerWaalsContact O-N 3.14Å; I5-I8 PolarHBondContact O-N 3.24Å; I5-I8 VanDerWaalsContact O-N 3.16Å; I5-N9 PolarHBondContact O-N 2.95Å; I5-N9 PolarHBondContact O-ND2 3.23Å; I5-N9 VanDerWaalsContact O-ND2 3.1Å; I5-N137 HydrophobicContact CB-CB 3.96Å; I5-N137 HydrophobicContact CD1-CB 3.95Å; I5-N137 WeakPolarHBondContact CD1-O 3.23Å; I5-N137 HydrophobicContact CG2-CB 3.89Å; I5-N286 WeakPolarHBondContact CD1-OD1 3.43Å; I5-L289 HydrophobicContact CD1-CD2 4.16Å; I5-L289 HydrophobicContact CG1-CD2 4.48Å; I5-M290 HydrophobicContact CD1-CG 4.07Å; I5-M290 HydrophobicContact CG1-CG 4.4Å; I5-I293 HydrophobicContact CG1-CD1 3.94Å
6P71.9Confident67.4Low52 Ų5247 Ų4734%0.33825%0.248SC..Hα-helixtrans-50.8-33.9168.1-29.835.9000114.2E2 A3 N9 K10E2-P6 VanDerWaalsContact O-CD 3.25Å; E2-P6 WeakPolarHBondContact O-CD 3.28Å; A3-P6 WeakPolarHBondContact O-CD 3.26Å; P6-N9 PolarHBondContact O-N 3.2Å; P6-K10 WeakPolarHBondContact O-CG 3.48Å; P6-K10 PolarHBondContact O-N 3.08Å
7V70.4Confident67.3Low16 Ų1650.9 Ų50.910%0.09727%0.274CS..Hα-helixtrans-73.4-42.8177.9175.20000112.7A3 L4 I5 N9 K10 L11 V669 I673A3-V7 WeakPolarHBondContact O-CG2 3.44Å; A3-V7 PolarHBondContact O-N 3.41Å; L4-V7 PolarHBondContact O-N 3.35Å; I5-V7 PolarHBondContact O-N 2.94Å; I5-V7 VanDerWaalsContact O-N 3.14Å; V7-N9 PolarHBondContact O-N 3.3Å; V7-K10 WeakPolarHBondContact O-CB 3.34Å; V7-K10 PolarHBondContact O-N 2.8Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 2.59Å; V7-V669 HydrophobicContact CG1-CG1 3.57Å; V7-I673 HydrophobicContact CB-CD1 4.34Å; V7-I673 HydrophobicContact CB-CG1 4.23Å; V7-I673 HydrophobicContact CG1-CD1 3.47Å; V7-I673 VanDerWaalsContact CG1-CD1 3.47Å; V7-I673 HydrophobicContact CG1-CG1 3.59Å; V7-I673 HydrophobicContact CG2-CG1 4.2Å
8I72.6Confident67Low4 Ų450.4 Ų50.42%0.02127%0.273CS..Hα-helixtrans-58.5-38.3171-66.6-60.5000110.9L4 I5 L11 Q12 P26 I293L4-I8 PolarHBondContact O-N 3.27Å; L4-I8 VanDerWaalsContact O-N 3.13Å; I5-I8 PolarHBondContact O-N 3.24Å; I5-I8 VanDerWaalsContact O-N 3.16Å; I8-L11 HydrophobicContact CD1-CD1 4.26Å; I8-L11 WeakPolarHBondContact O-CB 3.48Å; I8-L11 PolarHBondContact O-N 3.4Å; I8-Q12 WeakPolarHBondContact O-CG 3.1Å; I8-Q12 PolarHBondContact O-N 3.18Å; I8-P26 HydrophobicContact CD1-CG 3.71Å; I8-P26 HydrophobicContact CG1-CG 4.14Å; I8-P26 HydrophobicContact CG2-CG 4.35Å; I8-I293 HydrophobicContact CD1-CG1 4.42Å; I8-I293 HydrophobicContact CD1-CG2 4.02Å; I8-I293 HydrophobicContact CG1-CD1 3.73Å; I8-I293 HydrophobicContact CG1-CG1 3.87Å; I8-I293 HydrophobicContact CG1-CG2 3.87Å
9N71.5Confident66.4Low5 Ų551.2 Ų51.23%0.02729%0.294CS..Hα-helixtrans-67-39.3177.3-60.1-28.2000112.1I5 P6 V7 L11 Q12 D13 Q66 T139I5-N9 PolarHBondContact O-N 2.95Å; I5-N9 PolarHBondContact O-ND2 3.23Å; I5-N9 VanDerWaalsContact O-ND2 3.1Å; P6-N9 PolarHBondContact O-N 3.2Å; V7-N9 PolarHBondContact O-N 3.3Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-L11 PolarHBondContact O-N 3.43Å; N9-Q12 PolarHBondContact O-N 3.39Å; N9-D13 PolarHBondContact O-N 2.89Å; N9-Q66 PolarHBondContact ND2-NE2 3.29Å; N9-T139 PolarHBondContact OD1-OG1 3.3Å
10K74.8Confident65.7Low101 Ų10149.2 Ų49.244%0.43928%0.283SS..Hα-helixtrans-59.9-40.9169.4-75.4178.5177-177.20111.7P6 V7 D13 V14 V669 E672P6-K10 WeakPolarHBondContact O-CG 3.48Å; P6-K10 PolarHBondContact O-N 3.08Å; V7-K10 WeakPolarHBondContact O-CB 3.34Å; V7-K10 PolarHBondContact O-N 2.8Å; K10-D13 PolarHBondContact O-N 2.93Å; K10-V14 WeakPolarHBondContact O-CG2 3.33Å; K10-V14 PolarHBondContact O-N 2.92Å; K10-V669 HydrophobicContact CB-CG1 4.14Å; K10-V669 HydrophobicContact CD-CG1 4.41Å; K10-E672 IonicContact NZ-OE2 2.9Å
11L72.4Confident65.3Low0 Ų053.9 Ų53.90%031%0.308CS..Hα-helixtrans-66.6-43.3177.6-68.4173.6000111.8V7 I8 N9 D13 V14 F15 L25 L300 A666 V669 I670V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 2.59Å; I8-L11 HydrophobicContact CD1-CD1 4.26Å; I8-L11 WeakPolarHBondContact O-CB 3.48Å; I8-L11 PolarHBondContact O-N 3.4Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-L11 PolarHBondContact O-N 3.43Å; L11-D13 PolarHBondContact O-N 2.66Å; L11-V14 PolarHBondContact O-N 3.41Å; L11-F15 HydrophobicContact CB-CE2 4.31Å; L11-F15 HydrophobicContact CD2-CE2 4.4Å; L11-F15 WeakPolarHBondContact O-CD2 3.18Å; L11-F15 PolarHBondContact O-N 2.94Å; L11-L25 HydrophobicContact CB-CD2 4.31Å; L11-L300 HydrophobicContact CD1-CD2 4.33Å; L11-A666 HydrophobicContact CD2-CB 3.68Å; L11-V669 HydrophobicContact CD2-CB 3.99Å; L11-V669 HydrophobicContact CD2-CG1 3.69Å; L11-V669 HydrophobicContact CG-CG1 3.86Å; L11-I670 HydrophobicContact CD1-CD1 4.08Å; L11-I670 HydrophobicContact CD1-CG1 3.84Å; L11-I670 HydrophobicContact CD2-CD1 4.44Å; L11-I670 HydrophobicContact CD2-CG1 4.25Å
12Q71.6Confident66.1Low15 Ų1548.2 Ų48.27%0.0728%0.28CS..Hα-helixtrans-56-49.3172.2-75.8-179.1-2700111.1I8 N9 V14 F15 N16 L25I8-Q12 WeakPolarHBondContact O-CG 3.1Å; I8-Q12 PolarHBondContact O-N 3.18Å; N9-Q12 PolarHBondContact O-N 3.39Å; Q12-V14 VanDerWaalsContact C-N 3.33Å; Q12-V14 PolarHBondContact O-N 3.02Å; Q12-F15 PolarHBondContact O-N 2.99Å; Q12-N16 VanDerWaalsContact O-CB 3.26Å; Q12-N16 WeakPolarHBondContact O-CB 3.04Å; Q12-N16 PolarHBondContact O-N 3.13Å; Q12-N16 PolarHBondContact O-ND2 2.85Å; Q12-L25 HydrophobicContact CB-CD1 4.22Å; Q12-L25 HydrophobicContact CG-CD1 3.43Å; Q12-L25 VanDerWaalsContact CG-CD1 3.43Å
13D72.9Confident66.6Low59 Ų5941.7 Ų41.732%0.31625%0.25SS..Hα-helixtrans-58.8-42.2177.4-72.1-23.6000112.1N9 K10 L11 T17 K129N9-D13 PolarHBondContact O-N 2.89Å; K10-D13 PolarHBondContact O-N 2.93Å; L11-D13 PolarHBondContact O-N 2.66Å; D13-T17 WeakPolarHBondContact O-CG2 3.15Å; D13-T17 PolarHBondContact O-N 2.91Å; D13-K129 IonicContact OD1-NZ 3.02Å; D13-K129 PolarHBondContact OD1-NZ 3.02Å; D13-K129 IonicContact OD2-NZ 2.64Å; D13-K129 PolarHBondContact OD2-NZ 3.34Å
14V73.4Confident67Low26 Ų2642.8 Ų42.816%0.15825%0.247CC..Hα-helixtrans-61.4-51.1176.5168.80000111.4K10 L11 Q12 N16 T17 V18 A662 R665K10-V14 WeakPolarHBondContact O-CG2 3.33Å; K10-V14 PolarHBondContact O-N 2.92Å; L11-V14 PolarHBondContact O-N 3.41Å; Q12-V14 VanDerWaalsContact C-N 3.33Å; Q12-V14 PolarHBondContact O-N 3.02Å; V14-N16 PolarHBondContact O-N 2.59Å; V14-T17 PolarHBondContact O-N 3.14Å; V14-T17 PolarHBondContact O-OG1 2.71Å; V14-V18 WeakPolarHBondContact O-CG2 3.39Å; V14-A662 HydrophobicContact CG1-CB 4.03Å; V14-R665 HydrophobicContact CG1-CB 4.45Å
15F68.7Low67.2Low6 Ų643.1 Ų43.13%0.02625%0.248CC..Hα-helixtrans-70.7-32.7-176.9-67.1-58000113.4L11 Q12 T17 V18 G19 A20 I23 L25 I304 L663 A666L11-F15 HydrophobicContact CB-CE2 4.31Å; L11-F15 HydrophobicContact CD2-CE2 4.4Å; L11-F15 WeakPolarHBondContact O-CD2 3.18Å; L11-F15 PolarHBondContact O-N 2.94Å; Q12-F15 PolarHBondContact O-N 2.99Å; F15-T17 VanDerWaalsContact C-N 3.27Å; F15-T17 PolarHBondContact O-N 2.67Å; F15-V18 PolarHBondContact O-N 2.71Å; F15-V18 VanDerWaalsContact O-N 3.11Å; F15-G19 PolarHBondContact O-N 3.33Å; F15-A20 HydrophobicContact CB-CB 4.31Å; F15-A20 HydrophobicContact CD1-CB 4.23Å; F15-A20 PolarHBondContact O-N 3.4Å; F15-I23 HydrophobicContact CD1-CD1 4.08Å; F15-I23 HydrophobicContact CD2-CG2 4.3Å; F15-I23 HydrophobicContact CE1-CD1 3.37Å; F15-I23 HydrophobicContact CE2-CB 4.49Å; F15-I23 HydrophobicContact CE2-CD1 4.16Å; F15-I23 HydrophobicContact CE2-CG2 3.94Å; F15-I23 HydrophobicContact CZ-CD1 3.41Å; F15-I23 VanDerWaalsContact CZ-CD1 3.41Å; F15-I23 HydrophobicContact CZ-CG2 4.27Å; F15-L25 HydrophobicContact CD2-CD1 4.11Å; F15-L25 HydrophobicContact CD2-CD2 4.48Å; F15-L25 HydrophobicContact CE2-CD2 4.44Å; F15-I304 HydrophobicContact CZ-CD1 4.13Å; F15-I304 HydrophobicContact CZ-CG1 4.4Å; F15-L663 HydrophobicContact CE1-CD2 4.08Å; F15-A666 HydrophobicContact CE1-CB 4.12Å; F15-A666 HydrophobicContact CE2-CB 4Å; F15-A666 HydrophobicContact CZ-CB 3.39Å
16N68.3Low67.5Low68 Ų6843.1 Ų43.136%0.36425%0.249SC..Hα-helixtrans-61.4-33.5173.5-75.8-10.4000112.5Q12 V14 V18 G19 H127Q12-N16 VanDerWaalsContact O-CB 3.26Å; Q12-N16 WeakPolarHBondContact O-CB 3.04Å; Q12-N16 PolarHBondContact O-N 3.13Å; Q12-N16 PolarHBondContact O-ND2 2.85Å; V14-N16 PolarHBondContact O-N 2.59Å; N16-V18 PolarHBondContact O-N 2.66Å; N16-G19 PolarHBondContact O-N 2.82Å; N16-H127 PolarHBondContact ND2-NE2 3.21Å
17T66.1Low68Low114 Ų11441.9 Ų41.970%0.69924%0.238SC*.THydrogen-bonded Turntrans-68.6-14.1176.358.50000114.6D13 V14 F15D13-T17 WeakPolarHBondContact O-CG2 3.15Å; D13-T17 PolarHBondContact O-N 2.91Å; V14-T17 PolarHBondContact O-N 3.14Å; V14-T17 PolarHBondContact O-OG1 2.71Å; F15-T17 VanDerWaalsContact C-N 3.27Å; F15-T17 PolarHBondContact O-N 2.67Å
18V61.7Low69Low41 Ų4141.1 Ų41.125%0.24823%0.234CC..THydrogen-bonded Turntrans-111.5-1.2179.8-141.40000113.1V14 F15 N16 A20 M659 A662V14-V18 WeakPolarHBondContact O-CG2 3.39Å; F15-V18 PolarHBondContact O-N 2.71Å; F15-V18 VanDerWaalsContact O-N 3.11Å; N16-V18 PolarHBondContact O-N 2.66Å; V18-A20 VanDerWaalsContact C-N 3.32Å; V18-A20 HydrophobicContact CB-CB 4.38Å; V18-A20 PolarHBondContact O-N 2.76Å; V18-M659 HydrophobicContact CB-CE 4.24Å; V18-M659 HydrophobicContact CG1-CE 3.78Å; V18-M659 HydrophobicContact CG1-SD 4.21Å; V18-A662 HydrophobicContact CG2-CB 3.36Å
19G55.7Low70Confident65 Ų6541 Ų4167%0.6723%0.233SC*.THydrogen-bonded Turntrans65.131.5-174.300000114F15 N16 D21F15-G19 PolarHBondContact O-N 3.33Å; N16-G19 PolarHBondContact O-N 2.82Å; G19-D21 PolarHBondContact O-N 3.19Å
20A52.6Low71Confident11 Ų1140.8 Ų40.89%0.09123%0.232CC..  trans-92.783.5-167.100000114.5F15 V18 I22 M659F15-A20 HydrophobicContact CB-CB 4.31Å; F15-A20 HydrophobicContact CD1-CB 4.23Å; F15-A20 PolarHBondContact O-N 3.4Å; V18-A20 VanDerWaalsContact C-N 3.32Å; V18-A20 HydrophobicContact CB-CB 4.38Å; V18-A20 PolarHBondContact O-N 2.76Å; A20-I22 PolarHBondContact O-N 3.13Å; A20-M659 HydrophobicContact CB-CE 3.88Å; A20-M659 HydrophobicContact CB-SD 3.98Å
21D56.4Low72Confident148 Ų14836 Ų3679%0.79121%0.211SC*.THydrogen-bonded Turntrans-62.6-5.8168.5-82.1-9.7000114G19 I23G19-D21 PolarHBondContact O-N 3.19Å; D21-I23 PolarHBondContact O-N 3.01Å
22I59.3Low72.9Confident66 Ų6636 Ų3634%0.33821%0.211SC..THydrogen-bonded Turntrans-67-22.3-171.2-55.1173.9000112.7A20 R303 L307 M659A20-I22 PolarHBondContact O-N 3.13Å; I22-R303 PolarHBondContact O-NH2 3Å; I22-L307 HydrophobicContact CG2-CD1 3.96Å; I22-L307 HydrophobicContact CG2-CD2 4.21Å; I22-M659 HydrophobicContact CD1-CE 4.28Å
23I65.3Low73.8Confident14 Ų1437.5 Ų37.57%0.07222%0.221CC..SBendtrans-115.8114.1-171-72.9170.7000111.5F15 D21 L25 L300 I304 L307 L663F15-I23 HydrophobicContact CD1-CD1 4.08Å; F15-I23 HydrophobicContact CD2-CG2 4.3Å; F15-I23 HydrophobicContact CE1-CD1 3.37Å; F15-I23 HydrophobicContact CE2-CB 4.49Å; F15-I23 HydrophobicContact CE2-CD1 4.16Å; F15-I23 HydrophobicContact CE2-CG2 3.94Å; F15-I23 HydrophobicContact CZ-CD1 3.41Å; F15-I23 VanDerWaalsContact CZ-CD1 3.41Å; F15-I23 HydrophobicContact CZ-CG2 4.27Å; D21-I23 PolarHBondContact O-N 3.01Å; I23-L25 HydrophobicContact CG2-CD2 3.96Å; I23-L25 HydrophobicContact CG2-CG 4.21Å; I23-L25 PolarHBondContact O-N 2.92Å; I23-L25 VanDerWaalsContact O-N 3.17Å; I23-L300 HydrophobicContact CG2-CD1 3.5Å; I23-L300 VanDerWaalsContact CG2-CD1 3.5Å; I23-I304 HydrophobicContact CD1-CG1 3.89Å; I23-L307 HydrophobicContact CD1-CD1 3.91Å; I23-L307 HydrophobicContact CG1-CD1 3.85Å; I23-L663 HydrophobicContact CD1-CD2 3.58Å
24Q67.8Low74.3Confident75 Ų7538.1 Ų38.135%0.3522%0.223SC..  trans-80.493.7-178.2-75.3176.6-20.600111.6N172 N174Q24-N172 WeakPolarHBondContact CB-OD1 3.33Å; Q24-N174 PolarHBondContact O-ND2 2.72Å
25L69.7Low74.8Confident17 Ų1741.3 Ų41.39%0.08925%0.246CC..  trans-79.5149.6177.9-62.3169.8000111.7L11 Q12 F15 I23 N172 L300L11-L25 HydrophobicContact CB-CD2 4.31Å; Q12-L25 HydrophobicContact CB-CD1 4.22Å; Q12-L25 HydrophobicContact CG-CD1 3.43Å; Q12-L25 VanDerWaalsContact CG-CD1 3.43Å; F15-L25 HydrophobicContact CD2-CD1 4.11Å; F15-L25 HydrophobicContact CD2-CD2 4.48Å; F15-L25 HydrophobicContact CE2-CD2 4.44Å; I23-L25 HydrophobicContact CG2-CD2 3.96Å; I23-L25 HydrophobicContact CG2-CG 4.21Å; I23-L25 PolarHBondContact O-N 2.92Å; I23-L25 VanDerWaalsContact O-N 3.17Å; L25-N172 PolarHBondContact O-ND2 3.4Å; L25-L300 HydrophobicContact CD2-CD1 4.33Å; L25-L300 HydrophobicContact CD2-CD2 3.95Å
26P74.4Confident75.6Confident3 Ų341.2 Ų41.22%0.01925%0.246CC..  trans-71.6127.1177.528.2-34.1000111.5I8 N174 I293I8-P26 HydrophobicContact CD1-CG 3.71Å; I8-P26 HydrophobicContact CG1-CG 4.14Å; I8-P26 HydrophobicContact CG2-CG 4.35Å; P26-N174 WeakPolarHBondContact CA-O 3.37Å; P26-I293 HydrophobicContact CB-CG1 4.01Å; P26-I293 HydrophobicContact CG-CB 4.46Å; P26-I293 HydrophobicContact CG-CG1 3.65Å
27Q83.3Confident76.5Confident26 Ų2638.7 Ų38.712%0.12124%0.236CC..EExtended strand (participates in β ladder)trans-150.4160-174.965.9-174.95.500112.1V141 N174 C175 I176Q27-V141 HydrophobicContact CB-CG2 4.4Å; Q27-V141 HydrophobicContact CG-CG2 4.44Å; Q27-N174 PolarHBondContact N-O 3Å; Q27-C175 HydrophobicContact CG-CB 4.29Å; Q27-C175 WeakPolarHBondContact O-CA 3.41Å; Q27-I176 PolarHBondContact O-N 3.29Å
28I90.8Very high77.6Confident0 Ų033.8 Ų33.80%021%0.205CC..EExtended strand (participates in β ladder)trans-105.4113173.2-47.9-173.3000109.3L138 L140 V141 I176 L178 L285 L289I28-L138 HydrophobicContact CD1-CD1 3.76Å; I28-L140 CarbonylContact O-C 3.58Å; I28-L140 WeakPolarHBondContact O-CA 3.49Å; I28-V141 PolarHBondContact O-N 3.44Å; I28-I176 CarbonylContact C-O 3.57Å; I28-I176 WeakPolarHBondContact CA-O 3.18Å; I28-I176 HydrophobicContact CG1-CB 4.32Å; I28-I176 HydrophobicContact CG2-CB 4.48Å; I28-I176 HydrophobicContact CG2-CG2 4.41Å; I28-L178 HydrophobicContact CG2-CB 4.01Å; I28-L285 HydrophobicContact CD1-CB 4.18Å; I28-L285 HydrophobicContact CD1-CD2 4.01Å; I28-L285 HydrophobicContact CG2-CD2 4.48Å; I28-L289 HydrophobicContact CD1-CB 4.26Å; I28-L289 HydrophobicContact CD1-CD2 4.42Å; I28-L289 HydrophobicContact CG1-CD1 4.2Å
29A92.6Very high78.8Confident0 Ų033.1 Ų33.10%020%0.202CC..EExtended strand (participates in β ladder)trans-95.8129.9175.200000110.9L143 I170 C175 I176 L178A29-L143 HydrophobicContact CB-CD1 4.02Å; A29-I170 HydrophobicContact CB-CG2 3.93Å; A29-C175 WeakPolarHBondContact CB-SG 3.34Å; A29-I176 PolarHBondContact N-O 2.81Å; A29-L178 PolarHBondContact O-N 3.34Å
30V94.1Very high80.4Confident1 Ų131 Ų311%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-98.7114.2-178.4-164.20000110.6K38 L42 L140 V141 L178 V180V30-K38 HydrophobicContact CB-CD 4.47Å; V30-K38 HydrophobicContact CB-CG 4.4Å; V30-K38 HydrophobicContact CG1-CD 4.15Å; V30-K38 HydrophobicContact CG1-CG 3.75Å; V30-L42 HydrophobicContact CG2-CD2 4.13Å; V30-L140 HydrophobicContact CG2-CD2 4.48Å; V30-V141 PolarHBondContact N-O 3.18Å; V30-L178 HydrophobicContact CG1-CB 4.31Å; V30-L178 HydrophobicContact CG1-CD2 4.1Å; V30-L178 HydrophobicContact CG1-CG 4.38Å; V30-L178 HydrophobicContact CG2-CB 4.28Å; V30-L178 HydrophobicContact CG2-CD2 3.96Å; V30-V180 HydrophobicContact CG1-CG2 3.51Å
31V94Very high82.2Confident0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-114.1133.3-176-176.80000109.3L143 I146 I166 I170 I177 L178 V180 A192V31-L143 HydrophobicContact CG2-CD1 4.16Å; V31-I146 HydrophobicContact CG1-CD1 4.37Å; V31-I166 HydrophobicContact CG1-CD1 4.45Å; V31-I166 HydrophobicContact CG1-CG2 4.06Å; V31-I166 HydrophobicContact CG2-CG2 3.86Å; V31-I170 HydrophobicContact CG2-CG2 3.86Å; V31-I177 HydrophobicContact CG2-CG2 4.19Å; V31-L178 PolarHBondContact N-O 2.84Å; V31-V180 PolarHBondContact O-N 3.35Å; V31-A192 HydrophobicContact CG1-CB 4.31Å
32G91.8Very high83.8Confident0 Ų023.7 Ų23.70%014%0.136CC..EExtended strand (participates in β ladder)trans-165.5158.4-178.800000112G145 I146G32-G145 WeakPolarHBondContact O-CA 3.36Å; G32-I146 PolarHBondContact O-N 3.3Å
33T90.1Very high85.2Confident47 Ų4720.5 Ų20.529%0.28812%0.12SC..BIsolated β-bridgetrans-68158.5164.450.20000110.6S35 S36 E191T33-S35 PolarHBondContact O-N 3.46Å; T33-S36 VanDerWaalsContact O-CB 3.28Å; T33-S36 WeakPolarHBondContact O-CB 3.37Å; T33-S36 PolarHBondContact O-N 3.31Å; T33-S36 VanDerWaalsContact O-N 3.14Å; T33-S36 PolarHBondContact O-OG 3.06Å; T33-E191 HydrophobicContact CG2-CB 4.04Å; T33-E191 HydrophobicContact CG2-CG 4.29Å
34Q84.8Confident86.3Confident73 Ų7320.3 Ų20.334%0.34112%0.12SC..THydrogen-bonded Turntrans-52.2138.5167.3-167.2-167.95.200110.2S36 G56 I146 T147Q34-S36 PolarHBondContact O-N 3.14Å; Q34-G56 VanDerWaalsContact NE2-CA 3.3Å; Q34-G56 PolarHBondContact NE2-O 2.83Å; Q34-I146 PolarHBondContact N-O 3.2Å; Q34-T147 HydrophobicContact CB-CG2 3.96Å; Q34-T147 HydrophobicContact CG-CG2 4.37Å
35S83.5Confident87.2Confident93 Ų9317.4 Ų17.465%0.6511%0.107SC*.THydrogen-bonded Turntrans6314.1-178.3-540000116.1T33 G37 K212T33-S35 PolarHBondContact O-N 3.46Å; S35-G37 PolarHBondContact O-N 3.29Å; S35-K212 WeakPolarHBondContact O-CE 3.43Å; S35-K212 PolarHBondContact O-NZ 2.79Å
36S85.8Confident87.9Confident3 Ų316.8 Ų16.82%0.02110%0.104CC..SBendtrans-67.2-9.3172750000114.3T33 Q34 V180 T211T33-S36 VanDerWaalsContact O-CB 3.28Å; T33-S36 WeakPolarHBondContact O-CB 3.37Å; T33-S36 PolarHBondContact O-N 3.31Å; T33-S36 VanDerWaalsContact O-N 3.14Å; T33-S36 PolarHBondContact O-OG 3.06Å; Q34-S36 PolarHBondContact O-N 3.14Å; S36-V180 WeakPolarHBondContact CB-O 3.35Å; S36-V180 PolarHBondContact OG-O 3.33Å; S36-T211 WeakPolarHBondContact O-CG2 3.36Å; S36-T211 PolarHBondContact O-OG1 3.14Å
37G86.3Confident88.4Confident15 Ų1518.2 Ų18.216%0.15512%0.118CC..SBendtrans92.47.6-175.800000114.6S35 S39 S40 V41S35-G37 PolarHBondContact O-N 3.29Å; G37-S39 PolarHBondContact O-N 3.35Å; G37-S40 WeakPolarHBondContact O-CA 3.3Å; G37-S40 WeakPolarHBondContact O-CB 3.36Å; G37-S40 PolarHBondContact O-N 2.95Å; G37-V41 PolarHBondContact O-N 3.02Å
38K88.8Confident88.4Confident12 Ų1222.6 Ų22.65%0.05213%0.134CC..Hα-helixtrans-41.2-59.3176177.8174.265.576.90114.1V30 S40 V41 L42 T59 D142 L143V30-K38 HydrophobicContact CB-CD 4.47Å; V30-K38 HydrophobicContact CB-CG 4.4Å; V30-K38 HydrophobicContact CG1-CD 4.15Å; V30-K38 HydrophobicContact CG1-CG 3.75Å; K38-S40 VanDerWaalsContact C-N 3.31Å; K38-S40 PolarHBondContact O-N 3.47Å; K38-V41 WeakPolarHBondContact O-CB 3.18Å; K38-V41 PolarHBondContact O-N 3.35Å; K38-V41 VanDerWaalsContact O-N 3.13Å; K38-L42 PolarHBondContact O-N 2.9Å; K38-L42 VanDerWaalsContact O-N 3.12Å; K38-T59 PolarHBondContact NZ-OG1 2.85Å; K38-D142 WeakPolarHBondContact CD-OD1 3.4Å; K38-D142 WeakPolarHBondContact CE-OD1 3.31Å; K38-D142 VanDerWaalsContact CG-OD1 3.23Å; K38-D142 WeakPolarHBondContact CG-OD1 3.45Å; K38-D142 IonicContact NZ-OD1 3.49Å; K38-D142 PolarHBondContact NZ-OD1 3.3Å; K38-D142 IonicContact NZ-OD2 2.85Å; K38-D142 PolarHBondContact NZ-OD2 2.77Å; K38-L143 WeakPolarHBondContact CE-O 3.42Å; K38-L143 PolarHBondContact NZ-O 2.95Å
39S87.6Confident88.1Confident26 Ų2624.7 Ų24.718%0.18215%0.145CC..Hα-helixtrans-61.8-38.2-179.7-46.60000112.3G37 V41 L42 E43G37-S39 PolarHBondContact O-N 3.35Å; S39-V41 VanDerWaalsContact C-N 3.35Å; S39-V41 PolarHBondContact O-N 3.27Å; S39-L42 PolarHBondContact O-N 2.93Å; S39-E43 WeakPolarHBondContact O-CG 3.33Å; S39-E43 PolarHBondContact O-N 3.19Å
40S89.4Confident87.8Confident21 Ų2124.7 Ų24.715%0.14715%0.145CC..Hα-helixtrans-65.8-35175.8-47.60000112.7G37 K38 S44 N242G37-S40 WeakPolarHBondContact O-CA 3.3Å; G37-S40 WeakPolarHBondContact O-CB 3.36Å; G37-S40 PolarHBondContact O-N 2.95Å; K38-S40 VanDerWaalsContact C-N 3.31Å; K38-S40 PolarHBondContact O-N 3.47Å; S40-S44 VanDerWaalsContact O-CB 3.24Å; S40-S44 WeakPolarHBondContact O-CB 3.48Å; S40-S44 PolarHBondContact O-N 3.29Å; S40-S44 PolarHBondContact O-OG 3.26Å; S40-N242 PolarHBondContact O-OD1 2.96Å
41V90.7Very high87.5Confident3 Ų324.8 Ų24.82%0.01815%0.146CC..Hα-helixtrans-64-44.3172.81740000110.3G37 K38 S39 S44 L45 V180 V209 T211 V240 L281G37-V41 PolarHBondContact O-N 3.02Å; K38-V41 WeakPolarHBondContact O-CB 3.18Å; K38-V41 PolarHBondContact O-N 3.35Å; K38-V41 VanDerWaalsContact O-N 3.13Å; S39-V41 VanDerWaalsContact C-N 3.35Å; S39-V41 PolarHBondContact O-N 3.27Å; V41-S44 PolarHBondContact O-N 3.44Å; V41-L45 HydrophobicContact CG1-CD1 4.39Å; V41-L45 WeakPolarHBondContact O-CG 3.45Å; V41-L45 PolarHBondContact O-N 2.83Å; V41-V180 HydrophobicContact CG2-CG1 4.36Å; V41-V209 HydrophobicContact CG2-CG1 4.25Å; V41-T211 HydrophobicContact CG2-CG2 3.74Å; V41-V240 HydrophobicContact CG2-CG2 4.1Å; V41-L281 HydrophobicContact CG1-CD2 3.73Å
42L89.7Confident86.9Confident2 Ų225.3 Ų25.31%0.0115%0.149CC..Hα-helixtrans-63.2-49.1178.1-70.4174.9000112.4V30 K38 S39 S44 L45 V46 L51 L140 D142V30-L42 HydrophobicContact CG2-CD2 4.13Å; K38-L42 PolarHBondContact O-N 2.9Å; K38-L42 VanDerWaalsContact O-N 3.12Å; S39-L42 PolarHBondContact O-N 2.93Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 2.71Å; L42-L45 WeakPolarHBondContact O-CA 3.45Å; L42-L45 WeakPolarHBondContact O-CB 3.38Å; L42-L45 PolarHBondContact O-N 2.61Å; L42-V46 WeakPolarHBondContact O-CG2 3.37Å; L42-V46 PolarHBondContact O-N 3.42Å; L42-L51 HydrophobicContact CB-CD1 3.66Å; L42-L51 HydrophobicContact CD1-CD1 3.81Å; L42-L51 HydrophobicContact CG-CD1 4.39Å; L42-L140 HydrophobicContact CD2-CB 4.12Å; L42-L140 HydrophobicContact CD2-CD1 4.46Å; L42-L140 HydrophobicContact CD2-CD2 3.78Å; L42-L140 HydrophobicContact CD2-CG 4.34Å; L42-D142 HydrophobicContact CD1-CB 3.57Å; L42-D142 VanDerWaalsContact CD1-CG 3.44Å; L42-D142 WeakPolarHBondContact CD1-OD1 3.37Å
43E88.9Confident86.1Confident0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-62.3-36.4176.6-68.9167.313900112.3S39 L45 V46 G47 R48 L51 R53S39-E43 WeakPolarHBondContact O-CG 3.33Å; S39-E43 PolarHBondContact O-N 3.19Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.13Å; E43-V46 PolarHBondContact O-N 2.69Å; E43-G47 PolarHBondContact O-N 3.49Å; E43-R48 WeakPolarHBondContact CB-O 3.37Å; E43-R48 PolarHBondContact O-N 3.16Å; E43-L51 HydrophobicContact CG-CB 4.24Å; E43-L51 HydrophobicContact CG-CD1 4.22Å; E43-L51 HydrophobicContact CG-CG 4.17Å; E43-L51 PolarHBondContact OE1-N 3.37Å; E43-R53 IonicContact OE1-CZ 2.71Å; E43-R53 IonicContact OE1-NE 3.76Å; E43-R53 PolarHBondContact OE1-NE 3.1Å; E43-R53 VanDerWaalsContact OE1-NE 3.13Å; E43-R53 IonicContact OE1-NH2 3.61Å; E43-R53 IonicContact OE2-CZ 2.67Å; E43-R53 IonicContact OE2-NE 3.61Å; E43-R53 PolarHBondContact OE2-NE 3.09Å; E43-R53 IonicContact OE2-NH1 3.54Å; E43-R53 IonicContact OE2-NH2 3.06Å; E43-R53 PolarHBondContact OE2-NH2 3.16Å
44S87.5Confident85Confident9 Ų929.4 Ų29.46%0.06318%0.176CC..Hα-helixtrans-66.9-28.2173.4-69.70000112.9S40 V41 L42 N242 T278S40-S44 VanDerWaalsContact O-CB 3.24Å; S40-S44 WeakPolarHBondContact O-CB 3.48Å; S40-S44 PolarHBondContact O-N 3.29Å; S40-S44 PolarHBondContact O-OG 3.26Å; V41-S44 PolarHBondContact O-N 3.44Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 2.71Å; S44-N242 WeakPolarHBondContact CB-OD1 3.48Å; S44-N242 PolarHBondContact OG-OD1 3.43Å; S44-T278 WeakPolarHBondContact O-CG2 3.44Å
45L86.8Confident84Confident15 Ų1533.3 Ų33.38%0.07921%0.205CC..Hα-helixtrans-74.7-30.2170.9-69.3171.8000112.9V41 L42 E43 L140 L281 A282 L285V41-L45 HydrophobicContact CG1-CD1 4.39Å; V41-L45 WeakPolarHBondContact O-CG 3.45Å; V41-L45 PolarHBondContact O-N 2.83Å; L42-L45 WeakPolarHBondContact O-CA 3.45Å; L42-L45 WeakPolarHBondContact O-CB 3.38Å; L42-L45 PolarHBondContact O-N 2.61Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.13Å; L45-L140 HydrophobicContact CD1-CD2 3.92Å; L45-L281 HydrophobicContact CD2-CD2 4.49Å; L45-L281 HydrophobicContact CD2-CG 4.39Å; L45-A282 HydrophobicContact CD2-CB 3.6Å; L45-L285 HydrophobicContact CD1-CD1 3.77Å; L45-L285 HydrophobicContact CD2-CD1 4.29Å
46V85.3Confident83.2Confident4 Ų429.9 Ų29.92%0.02418%0.184CC..Hα-helixtrans-84.4-31.7176.5-170.90000112.6L42 E43 R48 L50 L65 L67 I130 V135L42-V46 WeakPolarHBondContact O-CG2 3.37Å; L42-V46 PolarHBondContact O-N 3.42Å; E43-V46 PolarHBondContact O-N 2.69Å; V46-R48 HydrophobicContact CG1-CB 4.48Å; V46-L50 HydrophobicContact CB-CD2 3.87Å; V46-L50 HydrophobicContact CG1-CD2 3.65Å; V46-L50 HydrophobicContact CG2-CD2 3.7Å; V46-L65 HydrophobicContact CG2-CD2 3.97Å; V46-L67 HydrophobicContact CB-CD2 4.44Å; V46-L67 HydrophobicContact CG1-CD2 4.25Å; V46-L67 HydrophobicContact CG2-CD1 4.06Å; V46-L67 HydrophobicContact CG2-CD2 3.58Å; V46-L67 HydrophobicContact CG2-CG 4.46Å; V46-I130 HydrophobicContact CG1-CG2 4.02Å; V46-V135 HydrophobicContact CG1-CG1 4.24Å; V46-V135 WeakPolarHBondContact O-CG1 3.46Å
47G83.7Confident82.3Confident32 Ų3230.6 Ų30.633%0.3319%0.188SC..THydrogen-bonded Turntrans89.4-1.6-172.100000114.7E43 V254E43-G47 PolarHBondContact O-N 3.49Å; G47-V254 WeakPolarHBondContact O-CB 3.35Å; G47-V254 WeakPolarHBondContact O-CG2 3.39Å
48R84.6Confident81.6Confident118 Ų11831.9 Ų31.945%0.44519%0.193SC..SBendtrans-135.5147.8-174.4-61.9-65.6-172.4176.62.3111.8E43 V46 L50 E85 F100E43-R48 WeakPolarHBondContact CB-O 3.37Å; E43-R48 PolarHBondContact O-N 3.16Å; V46-R48 HydrophobicContact CG1-CB 4.48Å; R48-L50 PolarHBondContact O-N 3.31Å; R48-E85 IonicContact CZ-OE2 3.42Å; R48-E85 IonicContact NE-OE2 3.48Å; R48-E85 PolarHBondContact NE-OE2 3.09Å; R48-E85 IonicContact NH2-OE2 3.13Å; R48-E85 PolarHBondContact NH2-OE2 2.95Å; R48-F100 HydrophobicContact CB-CD1 3.82Å; R48-F100 HydrophobicContact CB-CD2 4.5Å; R48-F100 HydrophobicContact CB-CE1 3.96Å; R48-F100 HydrophobicContact CB-CG 4.09Å; R48-F100 HydrophobicContact CB-CZ 4.38Å; R48-F100 HydrophobicContact CG-CD1 4.18Å; R48-F100 HydrophobicContact CG-CD2 4.19Å; R48-F100 HydrophobicContact CG-CE1 3.96Å; R48-F100 HydrophobicContact CG-CE2 3.99Å; R48-F100 HydrophobicContact CG-CG 4.28Å; R48-F100 HydrophobicContact CG-CZ 3.87Å
49D84.3Confident80.9Confident44 Ų4432.1 Ų32.124%0.23520%0.195CC..  trans-78.999.8170.7-71.3-73.1000109.8R53 R104 R243D49-R53 IonicContact OD1-CZ 3.09Å; D49-R53 IonicContact OD1-NE 3.03Å; D49-R53 IonicContact OD1-NH2 2.66Å; D49-R53 PolarHBondContact OD1-NH2 2.87Å; D49-R104 PolarHBondContact O-NH2 3.14Å; D49-R243 VanDerWaalsContact CG-NH2 3.25Å; D49-R243 IonicContact OD1-CZ 3.82Å; D49-R243 IonicContact OD1-NH1 2.67Å; D49-R243 PolarHBondContact OD1-NH1 3.44Å; D49-R243 IonicContact OD1-NH2 3.57Å; D49-R243 PolarHBondContact OD1-NH2 3.45Å; D49-R243 IonicContact OD2-CZ 2.83Å; D49-R243 IonicContact OD2-NH1 3.56Å; D49-R243 PolarHBondContact OD2-NH1 3.43Å; D49-R243 IonicContact OD2-NH2 2.61Å; D49-R243 PolarHBondContact OD2-NH2 3.44Å; D49-R243 VanDerWaalsContact OD2-NH2 3.16Å
50L86.9Confident80.5Confident0 Ų032.4 Ų32.40%019%0.192CC..  trans-122.9-14.7-178.973.598.1000113.4V46 R48 L65 F100 I103 R104 I107 L128V46-L50 HydrophobicContact CB-CD2 3.87Å; V46-L50 HydrophobicContact CG1-CD2 3.65Å; V46-L50 HydrophobicContact CG2-CD2 3.7Å; R48-L50 PolarHBondContact O-N 3.31Å; L50-L65 HydrophobicContact CD1-CD1 4.35Å; L50-F100 HydrophobicContact CB-CD1 4.05Å; L50-I103 HydrophobicContact CB-CG2 4.45Å; L50-R104 WeakPolarHBondContact O-CA 3.41Å; L50-I107 HydrophobicContact CD1-CD1 4.25Å; L50-L128 HydrophobicContact CD1-CD2 3.96Å
51L87.1Confident80.4Confident3 Ų331.9 Ų31.92%0.01619%0.187CC..SBendtrans-88.5145.5-176.9-65.8178.5000110.5L42 E43 L63 R104L42-L51 HydrophobicContact CB-CD1 3.66Å; L42-L51 HydrophobicContact CD1-CD1 3.81Å; L42-L51 HydrophobicContact CG-CD1 4.39Å; E43-L51 HydrophobicContact CG-CB 4.24Å; E43-L51 HydrophobicContact CG-CD1 4.22Å; E43-L51 HydrophobicContact CG-CG 4.17Å; E43-L51 PolarHBondContact OE1-N 3.37Å; L51-L63 HydrophobicContact CD2-CD2 3.33Å; L51-R104 VanDerWaalsContact O-CD 3.31Å; L51-R104 WeakPolarHBondContact O-CD 3.39Å; L51-R104 PolarHBondContact O-NE 3.48Å
52P81.8Confident80.3Confident12 Ų1231.7 Ų31.78%0.07819%0.186CC..  trans-59.3149.1172.224.8-34.4000111V58 R104 I107 E108P52-V58 VanDerWaalsContact C-CG1 3.44Å; P52-V58 HydrophobicContact CB-CG1 3.64Å; P52-V58 HydrophobicContact CG-CG1 3.9Å; P52-V58 VanDerWaalsContact O-CG1 3.3Å; P52-V58 WeakPolarHBondContact O-CG1 3.32Å; P52-R104 HydrophobicContact CB-CG 4.48Å; P52-I107 HydrophobicContact CG-CG2 4.02Å; P52-E108 HydrophobicContact CB-CG 3.63Å; P52-E108 WeakPolarHBondContact CB-OE1 3.28Å; P52-E108 HydrophobicContact CG-CG 4.45Å
53R74.6Confident80.4Confident79 Ų7931.9 Ų31.930%0.29819%0.187SC..  trans-139.7123.9-176.3-70.1172.4174.1-95.525.6110.1E43 D49E43-R53 IonicContact OE1-CZ 2.71Å; E43-R53 IonicContact OE1-NE 3.76Å; E43-R53 PolarHBondContact OE1-NE 3.1Å; E43-R53 VanDerWaalsContact OE1-NE 3.13Å; E43-R53 IonicContact OE1-NH2 3.61Å; E43-R53 IonicContact OE2-CZ 2.67Å; E43-R53 IonicContact OE2-NE 3.61Å; E43-R53 PolarHBondContact OE2-NE 3.09Å; E43-R53 IonicContact OE2-NH1 3.54Å; E43-R53 IonicContact OE2-NH2 3.06Å; E43-R53 PolarHBondContact OE2-NH2 3.16Å; D49-R53 IonicContact OD1-CZ 3.09Å; D49-R53 IonicContact OD1-NE 3.03Å; D49-R53 IonicContact OD1-NH2 2.66Å; D49-R53 PolarHBondContact OD1-NH2 2.87Å
54G67.6Low80.4Confident53 Ų5332.8 Ų32.855%0.54619%0.191SC..  trans-170.5176.1-179.200000113.7V58G54-V58 VanDerWaalsContact O-CG2 3.28Å; G54-V58 WeakPolarHBondContact O-CG2 3.5Å
55T62.6Low80.5Confident155 Ų15532.4 Ų32.495%0.95119%0.189SC*.SBendtrans-86121174.350.20000110.8
56G66.2Low80.5Confident21 Ų2132.4 Ų32.422%0.21619%0.188CC..SBendtrans117.7-163-175.900000112.6Q34 V58Q34-G56 VanDerWaalsContact NE2-CA 3.3Å; Q34-G56 PolarHBondContact NE2-O 2.83Å; G56-V58 PolarHBondContact O-N 2.93Å
57I67Low80.5Confident18 Ų1832.3 Ų32.39%0.09219%0.187CC..  trans-77.4107.7173.2-59.7-176.9000107.9T59 R60 T147 Q154 I158 I162I57-T59 VanDerWaalsContact CG2-O 3.26Å; I57-T59 WeakPolarHBondContact CG2-O 3.47Å; I57-R60 HydrophobicContact CG2-CG 4.11Å; I57-T147 HydrophobicContact CD1-CG2 3.91Å; I57-T147 HydrophobicContact CG1-CG2 3.74Å; I57-Q154 VanDerWaalsContact CD1-NE2 3.31Å; I57-I158 HydrophobicContact CD1-CG1 4.09Å; I57-I162 HydrophobicContact CD1-CD1 3.69Å
58V71.4Confident80.6Confident43 Ų4331.9 Ų31.926%0.26118%0.179SC..  trans-86.2-55-176.6-165.10000110.6P52 G54 G56 R60P52-V58 VanDerWaalsContact C-CG1 3.44Å; P52-V58 HydrophobicContact CB-CG1 3.64Å; P52-V58 HydrophobicContact CG-CG1 3.9Å; P52-V58 VanDerWaalsContact O-CG1 3.3Å; P52-V58 WeakPolarHBondContact O-CG1 3.32Å; G54-V58 VanDerWaalsContact O-CG2 3.28Å; G54-V58 WeakPolarHBondContact O-CG2 3.5Å; G56-V58 PolarHBondContact O-N 2.93Å; V58-R60 PolarHBondContact O-N 3.48Å; V58-R60 VanDerWaalsContact O-N 3.14Å
59T74.9Confident80.4Confident16 Ų1629.7 Ų29.710%0.09817%0.173CC..  trans-72.399.3168.9-44.90000109.2K38 I57 R61 D142 P144K38-T59 PolarHBondContact NZ-OG1 2.85Å; I57-T59 VanDerWaalsContact CG2-O 3.26Å; I57-T59 WeakPolarHBondContact CG2-O 3.47Å; T59-R61 WeakPolarHBondContact CG2-O 3.34Å; T59-D142 VanDerWaalsContact CG2-OD2 3.28Å; T59-D142 WeakPolarHBondContact CG2-OD2 3.38Å; T59-D142 PolarHBondContact OG1-OD2 3.23Å; T59-P144 WeakPolarHBondContact O-CA 3.4Å; T59-P144 VanDerWaalsContact O-CB 3.3Å; T59-P144 WeakPolarHBondContact O-CB 3.29Å; T59-P144 WeakPolarHBondContact O-CG 3.4Å
60R80.4Confident80.3Confident33 Ų3328.4 Ų28.413%0.12517%0.167CC..  trans-99.5-13.2176.6-68.4178-83.5168.3-9.8114.2I57 V58 T111 E112 G116 I121 S122I57-R60 HydrophobicContact CG2-CG 4.11Å; V58-R60 PolarHBondContact O-N 3.48Å; V58-R60 VanDerWaalsContact O-N 3.14Å; R60-T111 HydrophobicContact CB-CG2 3.71Å; R60-T111 HydrophobicContact CG-CG2 4.48Å; R60-E112 VanDerWaalsContact NH2-CG 3.35Å; R60-E112 IonicContact NH2-OE1 2.66Å; R60-E112 PolarHBondContact NH2-OE1 3.48Å; R60-G116 PolarHBondContact NH1-O 3.22Å; R60-I121 WeakPolarHBondContact O-CA 3.26Å; R60-I121 WeakPolarHBondContact O-CG2 3.5Å; R60-S122 PolarHBondContact O-N 3.15Å
61R86.8Confident79.7Confident9 Ų933.8 Ų33.83%0.03420%0.196CC..SBendtrans-127.9148173-68.4177.266.1177.90.4108.5T59 L63 E110 T111 D124 I126T59-R61 WeakPolarHBondContact CG2-O 3.34Å; R61-L63 PolarHBondContact O-N 3.25Å; R61-E110 PolarHBondContact NH1-O 2.97Å; R61-E110 IonicContact NH1-OE1 3.61Å; R61-E110 PolarHBondContact NH1-OE1 3.45Å; R61-E110 VanDerWaalsContact NH1-OE1 3.11Å; R61-T111 HydrophobicContact CG-CG2 4.45Å; R61-D124 VanDerWaalsContact CZ-O 3.28Å; R61-D124 IonicContact CZ-OD2 3.13Å; R61-D124 PolarHBondContact NE-O 2.67Å; R61-D124 PolarHBondContact NH2-O 3.1Å; R61-D124 IonicContact NH2-OD1 2.71Å; R61-D124 IonicContact NH2-OD2 3.63Å; R61-D124 PolarHBondContact NH2-OD2 3.45Å; R61-I126 HydrophobicContact CB-CD1 4.4Å; R61-I126 HydrophobicContact CB-CG1 4.44Å
62P89.2Confident78.5Confident0 Ų039.1 Ų39.10%023%0.231CC..  trans-56.8135168.8-21.632.2000110.8S122 P125 I126 V141 D142 L143 L165P62-S122 WeakPolarHBondContact CD-O 3.2Å; P62-P125 HydrophobicContact CB-CB 4.15Å; P62-P125 CarbonylContact O-C 3.27Å; P62-P125 VanDerWaalsContact O-CA 3.31Å; P62-P125 WeakPolarHBondContact O-CA 3.3Å; P62-I126 PolarHBondContact O-N 3.02Å; P62-V141 HydrophobicContact CB-CG1 4.34Å; P62-D142 WeakPolarHBondContact CA-O 3.2Å; P62-L143 HydrophobicContact CB-CD2 4.22Å; P62-L143 HydrophobicContact CG-CD2 4.38Å; P62-L165 HydrophobicContact CG-CD1 3.96Å; P62-L165 HydrophobicContact CG-CD2 4.12Å; P62-L165 HydrophobicContact CG-CG 4.38Å
63L90.5Very high77.3Confident6 Ų642.4 Ų42.43%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-113112.4173.717772.6000109.2L51 R61 L65 I107 I126 L128 V141 D142L51-L63 HydrophobicContact CD2-CD2 3.33Å; R61-L63 PolarHBondContact O-N 3.25Å; L63-L65 PolarHBondContact O-N 3.37Å; L63-I107 HydrophobicContact CD1-CG1 4.48Å; L63-I107 HydrophobicContact CD2-CD1 4.15Å; L63-I126 HydrophobicContact CD1-CB 3.82Å; L63-I126 HydrophobicContact CD1-CG2 3.69Å; L63-L128 HydrophobicContact CD1-CB 4.1Å; L63-V141 WeakPolarHBondContact O-CA 3.47Å; L63-D142 HydrophobicContact CB-CB 4.18Å; L63-D142 PolarHBondContact N-O 3.14Å; L63-D142 PolarHBondContact O-N 3.38Å
64I89.4Confident76.3Confident18 Ų1844.7 Ų44.79%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-85.399.6172.6-61.2174.2000107.1P125 I126 L128 T139 V141I64-P125 HydrophobicContact CD1-CB 3.69Å; I64-P125 HydrophobicContact CD1-CG 3.97Å; I64-P125 HydrophobicContact CG1-CB 4.04Å; I64-I126 PolarHBondContact N-O 2.89Å; I64-L128 PolarHBondContact O-N 3.46Å; I64-T139 HydrophobicContact CG2-CG2 4.27Å; I64-V141 HydrophobicContact CG1-CG1 4.29Å; I64-V141 HydrophobicContact CG1-CG2 4.25Å
65L89.1Confident75.6Confident2 Ų243.5 Ų43.51%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-96.7112.1179.8-179.964.8000109.6V46 L50 L63 L67 L128 I130 L140V46-L65 HydrophobicContact CG2-CD2 3.97Å; L50-L65 HydrophobicContact CD1-CD1 4.35Å; L63-L65 PolarHBondContact O-N 3.37Å; L65-L67 HydrophobicContact CD1-CD2 4.12Å; L65-L67 HydrophobicContact CD2-CD2 4.22Å; L65-L67 HydrophobicContact CG-CD2 3.95Å; L65-L128 HydrophobicContact CD1-CD2 4.02Å; L65-L128 HydrophobicContact CD1-CG 4.1Å; L65-I130 HydrophobicContact CD1-CG1 3.8Å; L65-L140 PolarHBondContact N-O 3.43Å; L65-L140 PolarHBondContact O-N 3.42Å
66Q87.4Confident75.2Confident15 Ų1543.2 Ų43.27%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-107.1108.1178.9-171.3-161.2-47.300109.5N9 V68 L128 K129 I130N9-Q66 PolarHBondContact ND2-NE2 3.29Å; Q66-V68 HydrophobicContact CG-CG2 4.31Å; Q66-V68 VanDerWaalsContact NE2-CG2 3.25Å; Q66-L128 PolarHBondContact N-O 3.46Å; Q66-K129 HydrophobicContact CB-CG 4.21Å; Q66-K129 CarbonylContact O-C 3.09Å; Q66-K129 WeakPolarHBondContact O-CA 3.31Å; Q66-K129 VanDerWaalsContact OE1-CD 3.3Å; Q66-I130 PolarHBondContact O-N 3.16Å
67L85.8Confident74.3Confident1 Ų150.5 Ų50.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-85.1129.6173-51.6-175.2000109.4V46 L65 I130 V135 V136 N137 L138 L140V46-L67 HydrophobicContact CB-CD2 4.44Å; V46-L67 HydrophobicContact CG1-CD2 4.25Å; V46-L67 HydrophobicContact CG2-CD1 4.06Å; V46-L67 HydrophobicContact CG2-CD2 3.58Å; V46-L67 HydrophobicContact CG2-CG 4.46Å; L65-L67 HydrophobicContact CD1-CD2 4.12Å; L65-L67 HydrophobicContact CD2-CD2 4.22Å; L65-L67 HydrophobicContact CG-CD2 3.95Å; L67-I130 HydrophobicContact CD2-CB 3.98Å; L67-I130 HydrophobicContact CD2-CG1 4.37Å; L67-V135 HydrophobicContact CB-CB 4.22Å; L67-V135 HydrophobicContact CB-CG2 4.06Å; L67-V135 HydrophobicContact CD1-CB 4.32Å; L67-V135 HydrophobicContact CD1-CG1 4.38Å; L67-V136 WeakPolarHBondContact CB-O 3.46Å; L67-N137 WeakPolarHBondContact O-CA 3.35Å; L67-L138 HydrophobicContact CB-CB 4.38Å; L67-L138 WeakPolarHBondContact CB-O 3.31Å; L67-L138 HydrophobicContact CD1-CB 4.41Å; L67-L138 PolarHBondContact N-O 3.06Å; L67-L138 PolarHBondContact O-N 3.09Å; L67-L138 VanDerWaalsContact O-N 3.09Å; L67-L140 HydrophobicContact CD1-CD1 4.24Å; L67-L140 HydrophobicContact CG-CD1 4.35Å
68V84.1Confident73.3Confident24 Ų2453.6 Ų53.615%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-123.5118.4179.2-176.70000108.4Q66 I130 F131 S132 N137Q66-V68 HydrophobicContact CG-CG2 4.31Å; Q66-V68 VanDerWaalsContact NE2-CG2 3.25Å; V68-I130 PolarHBondContact N-O 2.97Å; V68-F131 HydrophobicContact CB-CD1 3.8Å; V68-F131 HydrophobicContact CB-CE1 4.01Å; V68-F131 HydrophobicContact CB-CG 4.44Å; V68-F131 HydrophobicContact CG1-CD1 3.82Å; V68-F131 HydrophobicContact CG1-CE1 3.93Å; V68-F131 HydrophobicContact CG2-CD1 4.41Å; V68-F131 HydrophobicContact CG2-CE1 4.16Å; V68-F131 WeakPolarHBondContact O-CA 3.37Å; V68-S132 PolarHBondContact O-N 3.11Å; V68-S132 VanDerWaalsContact O-N 3.09Å; V68-N137 WeakPolarHBondContact CA-OD1 3.4Å
69H81.8Confident72Confident71 Ų7161.4 Ų61.433%0.32933%0.33SS..EExtended strand (participates in β ladder)trans-69.5132.5170.4-171.671.7000109.4S132 P133 V135 N137H69-S132 WeakPolarHBondContact CA-O 3.46Å; H69-P133 PolarHBondContact CE1-O 2.57Å; H69-V135 PolarHBondContact ND1-O 2.79Å; H69-N137 PolarHBondContact N-OD1 3.05Å
70V82.4Confident70.6Confident17 Ų1768.9 Ų68.910%0.10337%0.369CS..  trans-121.1131.2174.2-178.80000108.3D74 W86 F131 S132 P133V70-D74 HydrophobicContact CG1-CB 4.23Å; V70-W86 HydrophobicContact CG1-CH2 4.11Å; V70-W86 HydrophobicContact CG2-CH2 4.04Å; V70-W86 HydrophobicContact CG2-CZ2 4.49Å; V70-F131 HydrophobicContact CG2-CB 3.84Å; V70-F131 HydrophobicContact CG2-CD1 3.93Å; V70-F131 HydrophobicContact CG2-CG 4.4Å; V70-S132 PolarHBondContact N-O 2.74Å; V70-P133 VanDerWaalsContact O-CA 3.27Å; V70-P133 WeakPolarHBondContact O-CA 3.34Å; V70-P133 WeakPolarHBondContact O-CB 3.29Å
71D74.2Confident69.2Low113 Ų11369 Ų6960%0.60438%0.381SS*.  trans-66.3142.5177.1-80.2-62.5000111G73 D74D71-G73 PolarHBondContact O-N 3.38Å; D71-D74 PolarHBondContact O-N 3.4Å
72P61.6Low67.6Low116 Ų11673.8 Ų73.875%0.75341%0.407SS*.THydrogen-bonded Turntrans-60.83.2-178.9-24.834.4000116.9P133P72-P133 HydrophobicContact CG-CB 4.32Å
73G55.9Low66.2Low80 Ų8075.2 Ų75.283%0.82542%0.416SS*.THydrogen-bonded Turntrans-112.8-617500000114.7D71D71-G73 PolarHBondContact O-N 3.38Å
74D55Low65.3Low127 Ų12779.7 Ų79.768%0.67944%0.44SS*.SBendtrans-106.919.2-177.4-151.326.3000112V70 D71V70-D74 HydrophobicContact CG1-CB 4.23Å; D71-D74 PolarHBondContact O-N 3.4Å
75G52.6Low65.1Low28 Ų2879.6 Ų79.629%0.28944%0.439SS..  trans-60.6134.817600000112.1K77G75-K77 PolarHBondContact O-N 3.48Å
76R53.1Low65.2Low149 Ų14980.5 Ų80.556%0.56244%0.442SS*.EExtended strand (participates in β ladder)trans-78.5110.6176.4-81.2-176169.4-164.3-5.7110.4N78R76-N78 PolarHBondContact O-N 2.75Å
77K47.1Very low65.3Low175 Ų17579.8 Ų79.876%0.76144%0.439SS*.EExtended strand (participates in β ladder)trans-65.2110168.9-64.5-177.5179.2-175.70110.2G75G75-K77 PolarHBondContact O-N 3.48Å
78N46.1Very low65.5Low83 Ų8382.9 Ų82.944%0.44445%0.452SS..EExtended strand (participates in β ladder)trans-91.3164.8160.5-79.1-15.4000109.3R76 D80 G81R76-N78 PolarHBondContact O-N 2.75Å; N78-D80 PolarHBondContact O-N 2.88Å; N78-D80 VanDerWaalsContact O-N 3.15Å; N78-G81 PolarHBondContact N-O 3.29Å; N78-G81 PolarHBondContact O-N 3.16Å
79E45.7Very low65.7Low206 Ų20681.9 Ų81.996%0.96345%0.446SS*.THydrogen-bonded Turntrans-65-17.6-176.3-62.6-175.4134.200113.7
80D44.9Very low65.8Low174 Ų17482.5 Ų82.593%0.9345%0.451SS*.THydrogen-bonded Turntrans-1022.2178.9-71.5-57.4000115.1N78N78-D80 PolarHBondContact O-N 2.88Å; N78-D80 VanDerWaalsContact O-N 3.15Å
81G49.8Very low65.9Low36 Ų3684.7 Ų84.737%0.37146%0.46SS..EExtended strand (participates in β ladder)trans140.5175.3175.700000115.5N78 V83N78-G81 PolarHBondContact N-O 3.29Å; N78-G81 PolarHBondContact O-N 3.16Å; G81-V83 PolarHBondContact O-N 3.31Å
82D53.5Low66.3Low108 Ų10881 Ų8158%0.57844%0.442SS*.EExtended strand (participates in β ladder)trans-69.6122.6170.4-88.1-35.9000109.8
83V59.8Low67.2Low31 Ų3183.3 Ų83.319%0.18844%0.44CS..EExtended strand (participates in β ladder)trans-103.592.2174.1-179.70000107.7G81 E85 W86G81-V83 PolarHBondContact O-N 3.31Å; V83-E85 VanDerWaalsContact CG1-O 3.23Å; V83-E85 WeakPolarHBondContact CG1-O 3.28Å; V83-E85 PolarHBondContact O-N 2.68Å; V83-W86 HydrophobicContact CG1-CB 4.29Å
84D72.9Confident68.4Low99 Ų9985.9 Ų85.953%0.52944%0.435SS..  trans-63.7-25.6-178.5-70.5-29.2000113.3P133D84-P133 WeakPolarHBondContact O-CD 3.31Å
85E84.8Confident69.9Low17 Ų1784 Ų848%0.07942%0.421CS..  trans-136.9131.4-176.2-57.6-170.3129.600111.5R48 V83 F100 F131 S132 H134R48-E85 IonicContact CZ-OE2 3.42Å; R48-E85 IonicContact NE-OE2 3.48Å; R48-E85 PolarHBondContact NE-OE2 3.09Å; R48-E85 IonicContact NH2-OE2 3.13Å; R48-E85 PolarHBondContact NH2-OE2 2.95Å; V83-E85 VanDerWaalsContact CG1-O 3.23Å; V83-E85 WeakPolarHBondContact CG1-O 3.28Å; V83-E85 PolarHBondContact O-N 2.68Å; E85-F100 HydrophobicContact CB-CE2 3.99Å; E85-F100 HydrophobicContact CB-CZ 4.05Å; E85-F131 VanDerWaalsContact CA-O 3.31Å; E85-F131 WeakPolarHBondContact CA-O 3.18Å; E85-S132 VanDerWaalsContact OE1-CB 3.29Å; E85-S132 WeakPolarHBondContact OE1-CB 3.42Å; E85-S132 PolarHBondContact OE1-OG 2.76Å; E85-H134 IonicContact OE1-CD2 2.69Å
86W89.8Confident71.6Confident20 Ų2085.4 Ų85.48%0.07642%0.421CS..EExtended strand (participates in β ladder)trans-149.6157.4177.770.288.9000113.4V70 V83 I96 Y97 F131V70-W86 HydrophobicContact CG1-CH2 4.11Å; V70-W86 HydrophobicContact CG2-CH2 4.04Å; V70-W86 HydrophobicContact CG2-CZ2 4.49Å; V83-W86 HydrophobicContact CG1-CB 4.29Å; W86-I96 HydrophobicContact CB-CG2 3.76Å; W86-I96 HydrophobicContact CG-CG2 3.86Å; W86-Y97 CarbonylContact C-O 3.52Å; W86-Y97 WeakPolarHBondContact CA-O 3.04Å; W86-F131 AromaticContact CD1-CD2 3.54Å; W86-F131 HydrophobicContact CD2-CB 3.7Å; W86-F131 HydrophobicContact CD2-CD2 4.46Å; W86-F131 HydrophobicContact CD2-CG 4.24Å; W86-F131 VanDerWaalsContact CE2-CB 3.41Å; W86-F131 AromaticContact CE2-CD2 3.77Å; W86-F131 AromaticContact CE2-CG 3.49Å; W86-F131 VanDerWaalsContact CE2-CG 3.49Å; W86-F131 HydrophobicContact CE3-CB 4.12Å; W86-F131 HydrophobicContact CG-CB 4.18Å; W86-F131 HydrophobicContact CG-CD2 4.34Å; W86-F131 HydrophobicContact CH2-CB 4.06Å; W86-F131 HydrophobicContact CZ2-CB 3.61Å; W86-F131 AromaticContact CZ2-CD1 3.84Å; W86-F131 HydrophobicContact CZ2-CD1 3.84Å; W86-F131 HydrophobicContact CZ2-CD2 4.34Å; W86-F131 AromaticContact CZ2-CG 3.68Å; W86-F131 HydrophobicContact CZ2-CG 3.68Å; W86-F131 HydrophobicContact CZ3-CB 4.28Å; W86-F131 PolarHBondContact N-O 2.65Å; W86-F131 AromaticContact NE1-CD2 3.12Å; W86-F131 AromaticContact NE1-CE2 3.69Å; W86-F131 AromaticContact NE1-CG 3.38Å; W86-F131 PolarHBondContact O-N 3.5Å
87G90.3Very high73.3Confident0 Ų078.4 Ų78.40%040%0.395CS..EExtended strand (participates in β ladder)trans-110.4157173.100000113.5Y97 K129G87-Y97 PolarHBondContact N-O 2.99Å; G87-Y97 PolarHBondContact O-N 3.29Å; G87-K129 CarbonylContact C-O 3.56Å; G87-K129 WeakPolarHBondContact CA-O 3.23Å
88K90.2Very high75.2Confident67 Ų6773.4 Ų73.429%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-148.5126.9174.3-172.8177.4-177.5-179.60110.9K93 K129 F131K88-K93 WeakPolarHBondContact CE-O 3.47Å; K88-K93 PolarHBondContact NZ-O 3.39Å; K88-K129 PolarHBondContact N-O 2.79Å; K88-K129 PolarHBondContact O-N 3.15Å; K88-F131 HydrophobicContact CB-CE2 4.19Å
89F89.1Confident77.2Confident2 Ų273.5 Ų73.51%0.00938%0.382CS..EExtended strand (participates in β ladder)trans-94.2156.2172-64.2-94.7000112.2H91 Y97 I103 E106 I107 I126 H127 L128F89-H91 VanDerWaalsContact CB-CE1 3.46Å; F89-H91 WeakPolarHBondContact CB-CE1 3.46Å; F89-H91 WeakPolarHBondContact CB-ND1 3.24Å; F89-H91 AromaticContact CD1-CE1 3.59Å; F89-H91 AromaticContact CG-CE1 3.57Å; F89-H91 AromaticContact CG-ND1 3.99Å; F89-Y97 HydrophobicContact CD2-CD2 4.05Å; F89-Y97 AromaticContact CD2-CE2 3.65Å; F89-Y97 HydrophobicContact CD2-CE2 3.65Å; F89-Y97 AromaticContact CD2-CZ 3.92Å; F89-Y97 HydrophobicContact CE2-CD2 4.33Å; F89-Y97 HydrophobicContact CE2-CE1 4.33Å; F89-Y97 HydrophobicContact CE2-CE2 4.15Å; F89-I103 HydrophobicContact CE2-CG1 4.49Å; F89-I103 HydrophobicContact CE2-CG2 4.17Å; F89-I103 HydrophobicContact CZ-CG2 3.86Å; F89-E106 HydrophobicContact CD2-CG 3.87Å; F89-E106 HydrophobicContact CE1-CG 4.35Å; F89-E106 HydrophobicContact CE2-CB 3.76Å; F89-E106 HydrophobicContact CE2-CG 3.54Å; F89-E106 HydrophobicContact CG-CG 4.42Å; F89-E106 HydrophobicContact CZ-CB 3.86Å; F89-E106 HydrophobicContact CZ-CG 3.79Å; F89-I107 HydrophobicContact CE1-CG1 3.83Å; F89-I107 HydrophobicContact CZ-CG1 3.84Å; F89-I126 HydrophobicContact CD1-CG2 3.95Å; F89-I126 HydrophobicContact CE1-CG2 3.96Å; F89-H127 WeakPolarHBondContact CA-O 3.35Å; F89-L128 HydrophobicContact CD1-CB 4.05Å; F89-L128 HydrophobicContact CD1-CD1 4.05Å; F89-L128 HydrophobicContact CD2-CD1 4.13Å; F89-L128 HydrophobicContact CE1-CB 3.96Å; F89-L128 HydrophobicContact CE1-CD1 3.87Å; F89-L128 HydrophobicContact CE1-CD2 4.11Å; F89-L128 HydrophobicContact CE1-CG 4.19Å; F89-L128 HydrophobicContact CE2-CD1 3.93Å; F89-L128 HydrophobicContact CG-CD1 4.19Å; F89-L128 HydrophobicContact CZ-CD1 3.81Å; F89-L128 HydrophobicContact CZ-CD2 4.15Å; F89-L128 HydrophobicContact CZ-CG 4.43Å
90L84.1Confident79.2Confident84 Ų8464.8 Ų64.844%0.4434%0.341SS..SBendtrans-69.6-42.2174.6-173.562.1000111.9T92 K93 H127L90-T92 PolarHBondContact O-N 3.22Å; L90-K93 PolarHBondContact O-N 2.67Å; L90-H127 HydrophobicContact CB-CB 3.68Å; L90-H127 HydrophobicContact CD2-CB 4.06Å; L90-H127 PolarHBondContact N-O 3.44Å; L90-H127 VanDerWaalsContact N-O 3.14Å
91H82.6Confident81.2Confident64 Ų6460 Ų6030%0.29632%0.315SS..THydrogen-bonded Turntrans-70.7-31.5-175.265.2-76000113.5F89 K93 E106 E110F89-H91 VanDerWaalsContact CB-CE1 3.46Å; F89-H91 WeakPolarHBondContact CB-CE1 3.46Å; F89-H91 WeakPolarHBondContact CB-ND1 3.24Å; F89-H91 AromaticContact CD1-CE1 3.59Å; F89-H91 AromaticContact CG-CE1 3.57Å; F89-H91 AromaticContact CG-ND1 3.99Å; H91-K93 VanDerWaalsContact C-N 3.29Å; H91-K93 PolarHBondContact O-N 2.77Å; H91-E106 IonicContact CD2-OE1 3.22Å; H91-E106 IonicContact CE1-OE1 3.53Å; H91-E106 IonicContact NE2-OE1 2.75Å; H91-E106 PolarHBondContact NE2-OE1 2.87Å; H91-E110 IonicContact CD2-OE2 2.66Å; H91-E110 IonicContact NE2-OE2 3.74Å
92T84.2Confident83.2Confident36 Ų3661.4 Ų61.422%0.22131%0.313CS..THydrogen-bonded Turntrans-86.86.2176.362.50000114.4L90 N94 K95 Y97L90-T92 PolarHBondContact O-N 3.22Å; T92-N94 VanDerWaalsContact C-N 3.29Å; T92-N94 PolarHBondContact O-N 3.41Å; T92-K95 PolarHBondContact O-N 3.19Å; T92-Y97 VanDerWaalsContact CG2-OH 3.31Å; T92-Y97 WeakPolarHBondContact CG2-OH 3.26Å
93K80Confident85Confident163 Ų16356.3 Ų56.371%0.70929%0.285SS*.THydrogen-bonded Turntrans54.9-64.1170.5-67.8-175.9178.6179.30117.5K88 L90 H91K88-K93 WeakPolarHBondContact CE-O 3.47Å; K88-K93 PolarHBondContact NZ-O 3.39Å; L90-K93 PolarHBondContact O-N 2.67Å; H91-K93 VanDerWaalsContact C-N 3.29Å; H91-K93 PolarHBondContact O-N 2.77Å
94N80.4Confident86.4Confident134 Ų13457.3 Ų57.372%0.71729%0.286SS*.THydrogen-bonded Turntrans-129.1-6.9-174-78.8-17.6000114T92 I96T92-N94 VanDerWaalsContact C-N 3.29Å; T92-N94 PolarHBondContact O-N 3.41Å; N94-I96 PolarHBondContact O-N 3.18Å
95K87.1Confident87.2Confident88 Ų8858 Ų5838%0.38329%0.286SS..  trans-63.2132172.3-174.1175.7168.3-168.30109.8T92 Y97 E102T92-K95 PolarHBondContact O-N 3.19Å; K95-Y97 HydrophobicContact CB-CE2 4.07Å; K95-Y97 HydrophobicContact CD-CE1 4.24Å; K95-Y97 HydrophobicContact CD-CE2 3.83Å; K95-Y97 HydrophobicContact CG-CD2 4.24Å; K95-Y97 HydrophobicContact CG-CE2 3.76Å; K95-E102 WeakPolarHBondContact CE-OE1 3.44Å; K95-E102 IonicContact NZ-OE1 3.16Å; K95-E102 PolarHBondContact NZ-OE1 3.41Å
96I87.8Confident87.5Confident58 Ų5858.7 Ų58.730%0.29729%0.289SS..  trans-105.9134.9174.8-59.2173.8000106.7W86 N94W86-I96 HydrophobicContact CB-CG2 3.76Å; W86-I96 HydrophobicContact CG-CG2 3.86Å; N94-I96 PolarHBondContact O-N 3.18Å
97Y89.6Confident87.5Confident1 Ų158 Ų580%0.00429%0.287CS..BIsolated β-bridgetrans-110.2110.9179.7-65.8-107000108.3W86 G87 F89 T92 K95 E102 I103 E106W86-Y97 CarbonylContact C-O 3.52Å; W86-Y97 WeakPolarHBondContact CA-O 3.04Å; G87-Y97 PolarHBondContact N-O 2.99Å; G87-Y97 PolarHBondContact O-N 3.29Å; F89-Y97 HydrophobicContact CD2-CD2 4.05Å; F89-Y97 AromaticContact CD2-CE2 3.65Å; F89-Y97 HydrophobicContact CD2-CE2 3.65Å; F89-Y97 AromaticContact CD2-CZ 3.92Å; F89-Y97 HydrophobicContact CE2-CD2 4.33Å; F89-Y97 HydrophobicContact CE2-CE1 4.33Å; F89-Y97 HydrophobicContact CE2-CE2 4.15Å; T92-Y97 VanDerWaalsContact CG2-OH 3.31Å; T92-Y97 WeakPolarHBondContact CG2-OH 3.26Å; K95-Y97 HydrophobicContact CB-CE2 4.07Å; K95-Y97 HydrophobicContact CD-CE1 4.24Å; K95-Y97 HydrophobicContact CD-CE2 3.83Å; K95-Y97 HydrophobicContact CG-CD2 4.24Å; K95-Y97 HydrophobicContact CG-CE2 3.76Å; Y97-E102 HydrophobicContact CD1-CB 4.17Å; Y97-E102 HydrophobicContact CD1-CG 3.77Å; Y97-E102 WeakPolarHBondContact CD1-OE2 3.45Å; Y97-E102 HydrophobicContact CE1-CG 3.94Å; Y97-I103 HydrophobicContact CD1-CG1 4.21Å; Y97-I103 HydrophobicContact CG-CG1 4.04Å; Y97-E106 HydrophobicContact CE1-CB 4.09Å; Y97-E106 HydrophobicContact CE1-CG 4.18Å; Y97-E106 PolarHBondContact OH-OE2 2.85Å
98S87.3Confident87.4Confident71 Ų7161.4 Ų61.450%0.49730%0.303SS..  trans-86.8-25.3172.9470000112.4
99D87.7Confident87.3Confident85 Ų8562.7 Ų62.746%0.45531%0.313SS..  trans-93.4123.5177.1-168.1-12.2000111.4D101 E102 I103D99-D101 VanDerWaalsContact C-N 3.34Å; D99-D101 PolarHBondContact OD1-N 3.11Å; D99-E102 HydrophobicContact CB-CB 4.09Å; D99-E102 WeakPolarHBondContact O-CB 3.4Å; D99-E102 PolarHBondContact O-N 3.47Å; D99-I103 WeakPolarHBondContact O-CG1 3.48Å; D99-I103 PolarHBondContact O-N 3.35Å; D99-I103 VanDerWaalsContact O-N 3.16Å
100F87.1Confident87.3Confident22 Ų2263.1 Ų63.110%0.09632%0.315CS..Hα-helixtrans-74.1-22.6177.1-72.9-93000113.2R48 L50 E85 I103 R104 I130R48-F100 HydrophobicContact CB-CD1 3.82Å; R48-F100 HydrophobicContact CB-CD2 4.5Å; R48-F100 HydrophobicContact CB-CE1 3.96Å; R48-F100 HydrophobicContact CB-CG 4.09Å; R48-F100 HydrophobicContact CB-CZ 4.38Å; R48-F100 HydrophobicContact CG-CD1 4.18Å; R48-F100 HydrophobicContact CG-CD2 4.19Å; R48-F100 HydrophobicContact CG-CE1 3.96Å; R48-F100 HydrophobicContact CG-CE2 3.99Å; R48-F100 HydrophobicContact CG-CG 4.28Å; R48-F100 HydrophobicContact CG-CZ 3.87Å; L50-F100 HydrophobicContact CB-CD1 4.05Å; E85-F100 HydrophobicContact CB-CE2 3.99Å; E85-F100 HydrophobicContact CB-CZ 4.05Å; F100-I103 HydrophobicContact CD1-CD1 3.96Å; F100-I103 HydrophobicContact CE1-CD1 4.29Å; F100-I103 HydrophobicContact CG-CD1 4.38Å; F100-I103 PolarHBondContact O-N 3.14Å; F100-R104 PolarHBondContact O-N 2.99Å; F100-I130 HydrophobicContact CE1-CD1 4.18Å; F100-I130 HydrophobicContact CE1-CG2 4.11Å; F100-I130 HydrophobicContact CZ-CG2 4.39Å
101D88Confident87.4Confident73 Ų7359.6 Ų59.639%0.3930%0.297SS..Hα-helixtrans-71.5-32.9170.4-77-35.4000110.8D99 R104 Q105D99-D101 VanDerWaalsContact C-N 3.34Å; D99-D101 PolarHBondContact OD1-N 3.11Å; D101-R104 PolarHBondContact O-N 2.96Å; D101-R104 IonicContact OD1-CZ 2.8Å; D101-R104 IonicContact OD1-NH1 2.93Å; D101-R104 PolarHBondContact OD1-NH1 3.18Å; D101-R104 IonicContact OD1-NH2 2.66Å; D101-R104 PolarHBondContact OD1-NH2 2.94Å; D101-Q105 WeakPolarHBondContact O-CG 3.35Å; D101-Q105 PolarHBondContact O-N 3.45Å; D101-Q105 VanDerWaalsContact O-N 3.09Å
102E90.3Very high87.5Confident67 Ų6760.4 Ų60.431%0.31330%0.301SS..Hα-helixtrans-67.8-40.8171-165.3-169.8-170.600111.4K95 Y97 D99 R104 Q105 E106K95-E102 WeakPolarHBondContact CE-OE1 3.44Å; K95-E102 IonicContact NZ-OE1 3.16Å; K95-E102 PolarHBondContact NZ-OE1 3.41Å; Y97-E102 HydrophobicContact CD1-CB 4.17Å; Y97-E102 HydrophobicContact CD1-CG 3.77Å; Y97-E102 WeakPolarHBondContact CD1-OE2 3.45Å; Y97-E102 HydrophobicContact CE1-CG 3.94Å; D99-E102 HydrophobicContact CB-CB 4.09Å; D99-E102 WeakPolarHBondContact O-CB 3.4Å; D99-E102 PolarHBondContact O-N 3.47Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.19Å; E102-Q105 PolarHBondContact O-N 3.39Å; E102-E106 WeakPolarHBondContact O-CB 3.21Å; E102-E106 PolarHBondContact O-N 2.8Å
103I91.3Very high87.6Confident0 Ų067 Ų670%032%0.322CS..Hα-helixtrans-57.7-43172.7-65.7172000110.7L50 F89 Y97 D99 F100 E106 I107 L128 I130L50-I103 HydrophobicContact CB-CG2 4.45Å; F89-I103 HydrophobicContact CE2-CG1 4.49Å; F89-I103 HydrophobicContact CE2-CG2 4.17Å; F89-I103 HydrophobicContact CZ-CG2 3.86Å; Y97-I103 HydrophobicContact CD1-CG1 4.21Å; Y97-I103 HydrophobicContact CG-CG1 4.04Å; D99-I103 WeakPolarHBondContact O-CG1 3.48Å; D99-I103 PolarHBondContact O-N 3.35Å; D99-I103 VanDerWaalsContact O-N 3.16Å; F100-I103 HydrophobicContact CD1-CD1 3.96Å; F100-I103 HydrophobicContact CE1-CD1 4.29Å; F100-I103 HydrophobicContact CG-CD1 4.38Å; F100-I103 PolarHBondContact O-N 3.14Å; I103-E106 PolarHBondContact O-N 3.29Å; I103-I107 HydrophobicContact CG2-CD1 4.25Å; I103-I107 WeakPolarHBondContact O-CG1 3.29Å; I103-I107 PolarHBondContact O-N 3.05Å; I103-I107 VanDerWaalsContact O-N 3.1Å; I103-L128 HydrophobicContact CG2-CD1 4.17Å; I103-L128 HydrophobicContact CG2-CD2 3.65Å; I103-I130 HydrophobicContact CD1-CD1 3.89Å
104R89.7Confident87.7Confident52 Ų5262.2 Ų62.220%0.19631%0.306CS..Hα-helixtrans-61.8-48.2177.6-166.5-173.2-52.9115.515.8111.6D49 L50 L51 P52 F100 D101 E102 E106 I107 E108D49-R104 PolarHBondContact O-NH2 3.14Å; L50-R104 WeakPolarHBondContact O-CA 3.41Å; L51-R104 VanDerWaalsContact O-CD 3.31Å; L51-R104 WeakPolarHBondContact O-CD 3.39Å; L51-R104 PolarHBondContact O-NE 3.48Å; P52-R104 HydrophobicContact CB-CG 4.48Å; F100-R104 PolarHBondContact O-N 2.99Å; D101-R104 PolarHBondContact O-N 2.96Å; D101-R104 IonicContact OD1-CZ 2.8Å; D101-R104 IonicContact OD1-NH1 2.93Å; D101-R104 PolarHBondContact OD1-NH1 3.18Å; D101-R104 IonicContact OD1-NH2 2.66Å; D101-R104 PolarHBondContact OD1-NH2 2.94Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.19Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-E106 PolarHBondContact O-N 2.86Å; R104-I107 PolarHBondContact O-N 3.37Å; R104-E108 PolarHBondContact O-N 2.89Å; R104-E108 VanDerWaalsContact O-N 3.15Å
105Q89.5Confident87.4Confident114 Ų11456.7 Ų56.753%0.53328%0.278SS..Hα-helixtrans-61.9-39177.9-70.2174.42700111.8D101 E102 I107 E108 N109D101-Q105 WeakPolarHBondContact O-CG 3.35Å; D101-Q105 PolarHBondContact O-N 3.45Å; D101-Q105 VanDerWaalsContact O-N 3.09Å; E102-Q105 PolarHBondContact O-N 3.39Å; Q105-I107 PolarHBondContact O-N 2.92Å; Q105-E108 PolarHBondContact O-N 3.49Å; Q105-N109 WeakPolarHBondContact O-CB 3.42Å; Q105-N109 PolarHBondContact O-N 3.14Å; Q105-N109 PolarHBondContact O-ND2 2.65Å; Q105-N109 VanDerWaalsContact O-ND2 3.16Å
106E91.6Very high86.7Confident31 Ų3154 Ų5415%0.14528%0.275CS..Hα-helixtrans-63.6-38.8176.2-173.670.4-146.600112.4F89 H91 Y97 E102 I103 R104 E108 N109 E110F89-E106 HydrophobicContact CD2-CG 3.87Å; F89-E106 HydrophobicContact CE1-CG 4.35Å; F89-E106 HydrophobicContact CE2-CB 3.76Å; F89-E106 HydrophobicContact CE2-CG 3.54Å; F89-E106 HydrophobicContact CG-CG 4.42Å; F89-E106 HydrophobicContact CZ-CB 3.86Å; F89-E106 HydrophobicContact CZ-CG 3.79Å; H91-E106 IonicContact CD2-OE1 3.22Å; H91-E106 IonicContact CE1-OE1 3.53Å; H91-E106 IonicContact NE2-OE1 2.75Å; H91-E106 PolarHBondContact NE2-OE1 2.87Å; Y97-E106 HydrophobicContact CE1-CB 4.09Å; Y97-E106 HydrophobicContact CE1-CG 4.18Å; Y97-E106 PolarHBondContact OH-OE2 2.85Å; E102-E106 WeakPolarHBondContact O-CB 3.21Å; E102-E106 PolarHBondContact O-N 2.8Å; I103-E106 PolarHBondContact O-N 3.29Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-E106 PolarHBondContact O-N 2.86Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-N109 PolarHBondContact O-N 3.13Å; E106-E110 WeakPolarHBondContact O-CB 3.46Å; E106-E110 PolarHBondContact O-N 3.46Å
107I90.1Very high85.7Confident7 Ų757.5 Ų57.54%0.03629%0.294CS..Hα-helixtrans-62.5-42.6173.7-64.7163.2000110.6L50 P52 L63 F89 I103 R104 Q105 T111 I126 L128L50-I107 HydrophobicContact CD1-CD1 4.25Å; P52-I107 HydrophobicContact CG-CG2 4.02Å; L63-I107 HydrophobicContact CD1-CG1 4.48Å; L63-I107 HydrophobicContact CD2-CD1 4.15Å; F89-I107 HydrophobicContact CE1-CG1 3.83Å; F89-I107 HydrophobicContact CZ-CG1 3.84Å; I103-I107 HydrophobicContact CG2-CD1 4.25Å; I103-I107 WeakPolarHBondContact O-CG1 3.29Å; I103-I107 PolarHBondContact O-N 3.05Å; I103-I107 VanDerWaalsContact O-N 3.1Å; R104-I107 PolarHBondContact O-N 3.37Å; Q105-I107 PolarHBondContact O-N 2.92Å; I107-T111 WeakPolarHBondContact O-CB 3.24Å; I107-T111 PolarHBondContact O-N 2.82Å; I107-T111 PolarHBondContact O-OG1 3.36Å; I107-I126 HydrophobicContact CG2-CD1 4.46Å; I107-L128 HydrophobicContact CD1-CD2 4Å
108E88.3Confident84.5Confident70 Ų7063 Ų6333%0.32732%0.323SS..Hα-helixtrans-64.2-50.3177.3-67.8175.7169.400110.8P52 R104 Q105 E106 E110 T111 E112P52-E108 HydrophobicContact CB-CG 3.63Å; P52-E108 WeakPolarHBondContact CB-OE1 3.28Å; P52-E108 HydrophobicContact CG-CG 4.45Å; R104-E108 PolarHBondContact O-N 2.89Å; R104-E108 VanDerWaalsContact O-N 3.15Å; Q105-E108 PolarHBondContact O-N 3.49Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 2.89Å; E108-T111 WeakPolarHBondContact O-CB 3.19Å; E108-T111 PolarHBondContact O-N 3.39Å; E108-E112 WeakPolarHBondContact O-CG 3.34Å; E108-E112 PolarHBondContact O-N 3.22Å
109N88.4Confident83.6Confident94 Ų9463.1 Ų63.150%0.50332%0.315SS..Hα-helixtrans-57-50.3178.3-69-26.9000112.6Q105 E106 T111 E112 R113Q105-N109 WeakPolarHBondContact O-CB 3.42Å; Q105-N109 PolarHBondContact O-N 3.14Å; Q105-N109 PolarHBondContact O-ND2 2.65Å; Q105-N109 VanDerWaalsContact O-ND2 3.16Å; E106-N109 PolarHBondContact O-N 3.13Å; N109-T111 VanDerWaalsContact C-N 3.29Å; N109-T111 PolarHBondContact O-N 2.64Å; N109-E112 PolarHBondContact O-N 2.92Å; N109-R113 WeakPolarHBondContact O-CB 3.46Å; N109-R113 PolarHBondContact O-N 3.12Å
110E88Confident82.9Confident12 Ų1260 Ų606%0.05630%0.303CS..Hα-helixtrans-72-24.9-179.2-173.854.4-139.700112.1R61 H91 E106 E108 R113 I126R61-E110 PolarHBondContact NH1-O 2.97Å; R61-E110 IonicContact NH1-OE1 3.61Å; R61-E110 PolarHBondContact NH1-OE1 3.45Å; R61-E110 VanDerWaalsContact NH1-OE1 3.11Å; H91-E110 IonicContact CD2-OE2 2.66Å; H91-E110 IonicContact NE2-OE2 3.74Å; E106-E110 WeakPolarHBondContact O-CB 3.46Å; E106-E110 PolarHBondContact O-N 3.46Å; E108-E110 PolarHBondContact O-N 2.89Å; E110-R113 IonicContact OE1-CZ 3.43Å; E110-R113 IonicContact OE1-NE 3.16Å; E110-R113 PolarHBondContact OE1-NE 3.13Å; E110-R113 IonicContact OE1-NH2 2.69Å; E110-R113 PolarHBondContact OE1-NH2 3.32Å; E110-R113 IonicContact OE2-CZ 3.02Å; E110-R113 IonicContact OE2-NE 3.38Å; E110-R113 PolarHBondContact OE2-NE 2.71Å; E110-R113 IonicContact OE2-NH1 3.71Å; E110-R113 PolarHBondContact OE2-NH1 2.75Å; E110-R113 IonicContact OE2-NH2 2.73Å; E110-R113 PolarHBondContact OE2-NH2 3.23Å; E110-I126 HydrophobicContact CB-CD1 4.25Å; E110-I126 HydrophobicContact CG-CD1 4.22Å; E110-I126 HydrophobicContact CG-CG1 4.27Å
111T86.8Confident82.6Confident9 Ų960.3 Ų60.36%0.05531%0.305CS..Hα-helixtrans-68-45.9169.4-63.30000111.4R60 R61 I107 E108 N109 S115 I126R60-T111 HydrophobicContact CB-CG2 3.71Å; R60-T111 HydrophobicContact CG-CG2 4.48Å; R61-T111 HydrophobicContact CG-CG2 4.45Å; I107-T111 WeakPolarHBondContact O-CB 3.24Å; I107-T111 PolarHBondContact O-N 2.82Å; I107-T111 PolarHBondContact O-OG1 3.36Å; E108-T111 WeakPolarHBondContact O-CB 3.19Å; E108-T111 PolarHBondContact O-N 3.39Å; N109-T111 VanDerWaalsContact C-N 3.29Å; N109-T111 PolarHBondContact O-N 2.64Å; T111-S115 WeakPolarHBondContact O-CB 3.44Å; T111-S115 PolarHBondContact O-N 3.42Å; T111-S115 PolarHBondContact O-OG 2.97Å; T111-I126 WeakPolarHBondContact OG1-CD1 3.22Å
112E85.1Confident82.4Confident82 Ų8258 Ų5838%0.38330%0.295SS..Hα-helixtrans-72.3-34.3-179.5-69.9-173.316800112.9R60 E108 N109 V114 G116R60-E112 VanDerWaalsContact NH2-CG 3.35Å; R60-E112 IonicContact NH2-OE1 2.66Å; R60-E112 PolarHBondContact NH2-OE1 3.48Å; E108-E112 WeakPolarHBondContact O-CG 3.34Å; E108-E112 PolarHBondContact O-N 3.22Å; N109-E112 PolarHBondContact O-N 2.92Å; E112-V114 VanDerWaalsContact C-N 3.28Å; E112-V114 PolarHBondContact O-N 3.46Å; E112-G116 WeakPolarHBondContact O-CA 3.33Å; E112-G116 PolarHBondContact O-N 2.99Å
113R85.6Confident82Confident175 Ų17558.6 Ų58.666%0.6630%0.3SS*.Hα-helixtrans-58-38.3177.5-165.8-177.4751670.1113.2N109 E110N109-R113 WeakPolarHBondContact O-CB 3.46Å; N109-R113 PolarHBondContact O-N 3.12Å; E110-R113 IonicContact OE1-CZ 3.43Å; E110-R113 IonicContact OE1-NE 3.16Å; E110-R113 PolarHBondContact OE1-NE 3.13Å; E110-R113 IonicContact OE1-NH2 2.69Å; E110-R113 PolarHBondContact OE1-NH2 3.32Å; E110-R113 IonicContact OE2-CZ 3.02Å; E110-R113 IonicContact OE2-NE 3.38Å; E110-R113 PolarHBondContact OE2-NE 2.71Å; E110-R113 IonicContact OE2-NH1 3.71Å; E110-R113 PolarHBondContact OE2-NH1 2.75Å; E110-R113 IonicContact OE2-NH2 2.73Å; E110-R113 PolarHBondContact OE2-NH2 3.23Å
114V82.2Confident81.6Confident62 Ų6262.7 Ų62.738%0.37632%0.322SS..Hα-helixtrans-97.7-40.7-177.5175.30000112.4E112E112-V114 VanDerWaalsContact C-N 3.28Å; E112-V114 PolarHBondContact O-N 3.46Å
115S74.6Confident81.4Confident18 Ų1861.9 Ų61.913%0.12632%0.324CS..Hα-helixtrans-85.9-12.4-176-33.70000113.2T111T111-S115 WeakPolarHBondContact O-CB 3.44Å; T111-S115 PolarHBondContact O-N 3.42Å; T111-S115 PolarHBondContact O-OG 2.97Å
116G72Confident81.4Confident31 Ų3156.8 Ų56.832%0.3230%0.3SS..THydrogen-bonded Turntrans64-178.6-170.700000113.7R60 E112 N118R60-G116 PolarHBondContact NH1-O 3.22Å; E112-G116 WeakPolarHBondContact O-CA 3.33Å; E112-G116 PolarHBondContact O-N 2.99Å; G116-N118 PolarHBondContact O-N 3.22Å
117N67.3Low81.2Confident132 Ų13256.7 Ų56.771%0.70630%0.299SS*.THydrogen-bonded Turntrans-74.4-8.7173.4-76.45.9000113.2K119N117-K119 PolarHBondContact O-N 3.09Å
118N64.8Low81.2Confident116 Ų11656.4 Ų56.462%0.6230%0.298SS*.THydrogen-bonded Turntrans-80.722.9-172.9-153.840.2000114.3G116 G120G116-N118 PolarHBondContact O-N 3.22Å; N118-G120 PolarHBondContact O-N 3.14Å
119K67.7Low81.2Confident74 Ų7454.6 Ų54.632%0.32229%0.289SS..THydrogen-bonded Turntrans51.521.1176.5-62.2171.7-176.71470116N117 D153 Q154N117-K119 PolarHBondContact O-N 3.09Å; K119-D153 IonicContact NZ-OD2 3.97Å; K119-D153 PolarHBondContact NZ-OD2 3.46Å; K119-Q154 HydrophobicContact CB-CG 3.75Å; K119-Q154 HydrophobicContact CD-CG 4.27Å
120G71.9Confident81.3Confident19 Ų1950.1 Ų50.120%0.19627%0.265CS..  trans-67.3168.117500000112.7N118N118-G120 PolarHBondContact O-N 3.14Å
121I81.6Confident81.2Confident28 Ų2851.5 Ų51.514%0.14427%0.271CS..  trans-111.4148173.4-70.9175.3000108.4R60 P144 I158 I162 L165R60-I121 WeakPolarHBondContact O-CA 3.26Å; R60-I121 WeakPolarHBondContact O-CG2 3.5Å; I121-P144 HydrophobicContact CD1-CB 4.36Å; I121-I158 HydrophobicContact CD1-CD1 3.51Å; I121-I158 HydrophobicContact CD1-CG1 4.22Å; I121-I158 HydrophobicContact CG1-CD1 3.87Å; I121-I162 HydrophobicContact CD1-CB 4.47Å; I121-I162 HydrophobicContact CD1-CD1 4.12Å; I121-I162 HydrophobicContact CD1-CG1 3.26Å; I121-L165 HydrophobicContact CG2-CD2 3.54Å
122S83.4Confident81.2Confident26 Ų2651 Ų5118%0.18227%0.268CS..  trans-130.3140.5173.1173.40000110.7R60 P62 D124R60-S122 PolarHBondContact O-N 3.15Å; P62-S122 WeakPolarHBondContact CD-O 3.2Å; S122-D124 VanDerWaalsContact C-N 3.26Å; S122-D124 PolarHBondContact O-N 2.78Å; S122-D124 PolarHBondContact OG-N 2.71Å
123D82Confident81Confident79 Ų7948.4 Ų48.442%0.42226%0.258SS..SBendtrans-69.5-20.6176.8-82.635.7000113.4P125 L165 K168D123-P125 WeakPolarHBondContact O-CD 3.42Å; D123-L165 HydrophobicContact CB-CD1 4.38Å; D123-K168 IonicContact OD2-NZ 2.87Å; D123-K168 PolarHBondContact OD2-NZ 2.98Å
124D82.3Confident80.6Confident85 Ų8547.4 Ų47.446%0.45526%0.261SS..  trans-72.3115.1-173.8178.729.3000111.3R61 S122R61-D124 VanDerWaalsContact CZ-O 3.28Å; R61-D124 IonicContact CZ-OD2 3.13Å; R61-D124 PolarHBondContact NE-O 2.67Å; R61-D124 PolarHBondContact NH2-O 3.1Å; R61-D124 IonicContact NH2-OD1 2.71Å; R61-D124 IonicContact NH2-OD2 3.63Å; R61-D124 PolarHBondContact NH2-OD2 3.45Å; S122-D124 VanDerWaalsContact C-N 3.26Å; S122-D124 PolarHBondContact O-N 2.78Å; S122-D124 PolarHBondContact OG-N 2.71Å
125P86Confident80.5Confident36 Ų3644.6 Ų44.623%0.23424%0.244CC..  trans-82136-170.532-35.8000114.3P62 I64 D123 H127P62-P125 HydrophobicContact CB-CB 4.15Å; P62-P125 CarbonylContact O-C 3.27Å; P62-P125 VanDerWaalsContact O-CA 3.31Å; P62-P125 WeakPolarHBondContact O-CA 3.3Å; I64-P125 HydrophobicContact CD1-CB 3.69Å; I64-P125 HydrophobicContact CD1-CG 3.97Å; I64-P125 HydrophobicContact CG1-CB 4.04Å; D123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-H127 PolarHBondContact O-ND1 3.38Å
126I88.8Confident80.6Confident6 Ų646 Ų463%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-78127.8169.3-58.7176.2000108.5R61 P62 L63 I64 F89 I107 E110 T111R61-I126 HydrophobicContact CB-CD1 4.4Å; R61-I126 HydrophobicContact CB-CG1 4.44Å; P62-I126 PolarHBondContact O-N 3.02Å; L63-I126 HydrophobicContact CD1-CB 3.82Å; L63-I126 HydrophobicContact CD1-CG2 3.69Å; I64-I126 PolarHBondContact N-O 2.89Å; F89-I126 HydrophobicContact CD1-CG2 3.95Å; F89-I126 HydrophobicContact CE1-CG2 3.96Å; I107-I126 HydrophobicContact CG2-CD1 4.46Å; E110-I126 HydrophobicContact CB-CD1 4.25Å; E110-I126 HydrophobicContact CG-CD1 4.22Å; E110-I126 HydrophobicContact CG-CG1 4.27Å; T111-I126 WeakPolarHBondContact OG1-CD1 3.22Å
127H88.2Confident80.8Confident29 Ų2945.4 Ų45.413%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-105.6116.3180-74.182.6000111.1N16 F89 L90 P125N16-H127 PolarHBondContact ND2-NE2 3.21Å; F89-H127 WeakPolarHBondContact CA-O 3.35Å; L90-H127 HydrophobicContact CB-CB 3.68Å; L90-H127 HydrophobicContact CD2-CB 4.06Å; L90-H127 PolarHBondContact N-O 3.44Å; L90-H127 VanDerWaalsContact N-O 3.14Å; P125-H127 PolarHBondContact O-ND1 3.38Å
128L89.8Confident81.4Confident1 Ų139.2 Ų39.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-127.6122.9-178173.557.1000111.1L50 L63 I64 L65 Q66 F89 I103 I107 I130L50-L128 HydrophobicContact CD1-CD2 3.96Å; L63-L128 HydrophobicContact CD1-CB 4.1Å; I64-L128 PolarHBondContact O-N 3.46Å; L65-L128 HydrophobicContact CD1-CD2 4.02Å; L65-L128 HydrophobicContact CD1-CG 4.1Å; Q66-L128 PolarHBondContact N-O 3.46Å; F89-L128 HydrophobicContact CD1-CB 4.05Å; F89-L128 HydrophobicContact CD1-CD1 4.05Å; F89-L128 HydrophobicContact CD2-CD1 4.13Å; F89-L128 HydrophobicContact CE1-CB 3.96Å; F89-L128 HydrophobicContact CE1-CD1 3.87Å; F89-L128 HydrophobicContact CE1-CD2 4.11Å; F89-L128 HydrophobicContact CE1-CG 4.19Å; F89-L128 HydrophobicContact CE2-CD1 3.93Å; F89-L128 HydrophobicContact CG-CD1 4.19Å; F89-L128 HydrophobicContact CZ-CD1 3.81Å; F89-L128 HydrophobicContact CZ-CD2 4.15Å; F89-L128 HydrophobicContact CZ-CG 4.43Å; I103-L128 HydrophobicContact CG2-CD1 4.17Å; I103-L128 HydrophobicContact CG2-CD2 3.65Å; I107-L128 HydrophobicContact CD1-CD2 4Å; L128-I130 HydrophobicContact CD1-CD1 3.84Å; L128-I130 HydrophobicContact CD2-CD1 4.15Å; L128-I130 HydrophobicContact CG-CD1 3.98Å; L128-I130 HydrophobicContact CG-CG1 4.24Å
129K89.1Confident82.3Confident33 Ų3333.8 Ų33.814%0.14318%0.179CC..EExtended strand (participates in β ladder)trans-103.6125.2172.7-49.9-166.4-176.7-152.60109.3D13 Q66 G87 K88 F131D13-K129 IonicContact OD1-NZ 3.02Å; D13-K129 PolarHBondContact OD1-NZ 3.02Å; D13-K129 IonicContact OD2-NZ 2.64Å; D13-K129 PolarHBondContact OD2-NZ 3.34Å; Q66-K129 HydrophobicContact CB-CG 4.21Å; Q66-K129 CarbonylContact O-C 3.09Å; Q66-K129 WeakPolarHBondContact O-CA 3.31Å; Q66-K129 VanDerWaalsContact OE1-CD 3.3Å; G87-K129 CarbonylContact C-O 3.56Å; G87-K129 WeakPolarHBondContact CA-O 3.23Å; K88-K129 PolarHBondContact N-O 2.79Å; K88-K129 PolarHBondContact O-N 3.15Å; K129-F131 HydrophobicContact CB-CE2 3.76Å; K129-F131 HydrophobicContact CB-CZ 4.14Å
130I89.4Confident83.2Confident0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-110.9131.9174.2-59.4-60.2000108.7V46 L65 Q66 L67 V68 F100 I103 L128V46-I130 HydrophobicContact CG1-CG2 4.02Å; L65-I130 HydrophobicContact CD1-CG1 3.8Å; Q66-I130 PolarHBondContact O-N 3.16Å; L67-I130 HydrophobicContact CD2-CB 3.98Å; L67-I130 HydrophobicContact CD2-CG1 4.37Å; V68-I130 PolarHBondContact N-O 2.97Å; F100-I130 HydrophobicContact CE1-CD1 4.18Å; F100-I130 HydrophobicContact CE1-CG2 4.11Å; F100-I130 HydrophobicContact CZ-CG2 4.39Å; I103-I130 HydrophobicContact CD1-CD1 3.89Å; L128-I130 HydrophobicContact CD1-CD1 3.84Å; L128-I130 HydrophobicContact CD2-CD1 4.15Å; L128-I130 HydrophobicContact CG-CD1 3.98Å; L128-I130 HydrophobicContact CG-CG1 4.24Å
131F87.8Confident84.1Confident40 Ų4029.4 Ų29.418%0.17516%0.155CC..EExtended strand (participates in β ladder)trans-113124.6-179.9-62.5-94.8000108.3V68 V70 E85 W86 K88 K129V68-F131 HydrophobicContact CB-CD1 3.8Å; V68-F131 HydrophobicContact CB-CE1 4.01Å; V68-F131 HydrophobicContact CB-CG 4.44Å; V68-F131 HydrophobicContact CG1-CD1 3.82Å; V68-F131 HydrophobicContact CG1-CE1 3.93Å; V68-F131 HydrophobicContact CG2-CD1 4.41Å; V68-F131 HydrophobicContact CG2-CE1 4.16Å; V68-F131 WeakPolarHBondContact O-CA 3.37Å; V70-F131 HydrophobicContact CG2-CB 3.84Å; V70-F131 HydrophobicContact CG2-CD1 3.93Å; V70-F131 HydrophobicContact CG2-CG 4.4Å; E85-F131 VanDerWaalsContact CA-O 3.31Å; E85-F131 WeakPolarHBondContact CA-O 3.18Å; W86-F131 AromaticContact CD1-CD2 3.54Å; W86-F131 HydrophobicContact CD2-CB 3.7Å; W86-F131 HydrophobicContact CD2-CD2 4.46Å; W86-F131 HydrophobicContact CD2-CG 4.24Å; W86-F131 VanDerWaalsContact CE2-CB 3.41Å; W86-F131 AromaticContact CE2-CD2 3.77Å; W86-F131 AromaticContact CE2-CG 3.49Å; W86-F131 VanDerWaalsContact CE2-CG 3.49Å; W86-F131 HydrophobicContact CE3-CB 4.12Å; W86-F131 HydrophobicContact CG-CB 4.18Å; W86-F131 HydrophobicContact CG-CD2 4.34Å; W86-F131 HydrophobicContact CH2-CB 4.06Å; W86-F131 HydrophobicContact CZ2-CB 3.61Å; W86-F131 AromaticContact CZ2-CD1 3.84Å; W86-F131 HydrophobicContact CZ2-CD1 3.84Å; W86-F131 HydrophobicContact CZ2-CD2 4.34Å; W86-F131 AromaticContact CZ2-CG 3.68Å; W86-F131 HydrophobicContact CZ2-CG 3.68Å; W86-F131 HydrophobicContact CZ3-CB 4.28Å; W86-F131 PolarHBondContact N-O 2.65Å; W86-F131 AromaticContact NE1-CD2 3.12Å; W86-F131 AromaticContact NE1-CE2 3.69Å; W86-F131 AromaticContact NE1-CG 3.38Å; W86-F131 PolarHBondContact O-N 3.5Å; K88-F131 HydrophobicContact CB-CE2 4.19Å; K129-F131 HydrophobicContact CB-CE2 3.76Å; K129-F131 HydrophobicContact CB-CZ 4.14Å
132S85Confident84.6Confident0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-161.4145.6-179.7160.10000111.7V68 H69 V70 E85 H134 V135V68-S132 PolarHBondContact O-N 3.11Å; V68-S132 VanDerWaalsContact O-N 3.09Å; H69-S132 WeakPolarHBondContact CA-O 3.46Å; V70-S132 PolarHBondContact N-O 2.74Å; E85-S132 VanDerWaalsContact OE1-CB 3.29Å; E85-S132 WeakPolarHBondContact OE1-CB 3.42Å; E85-S132 PolarHBondContact OE1-OG 2.76Å; S132-H134 PolarHBondContact O-N 2.85Å; S132-H134 PolarHBondContact OG-N 2.76Å; S132-V135 WeakPolarHBondContact O-CG2 3.34Å
133P81.3Confident84.9Confident26 Ų2626.9 Ų26.917%0.16914%0.139CC..SBendtrans-74.7-5.7171.332.4-37000113.4H69 V70 P72 D84H69-P133 PolarHBondContact CE1-O 2.57Å; V70-P133 VanDerWaalsContact O-CA 3.27Å; V70-P133 WeakPolarHBondContact O-CA 3.34Å; V70-P133 WeakPolarHBondContact O-CB 3.29Å; P72-P133 HydrophobicContact CG-CB 4.32Å; D84-P133 WeakPolarHBondContact O-CD 3.31Å
134H76.9Confident85.2Confident154 Ų15423.2 Ų23.271%0.71312%0.12SC*.SBendtrans-104.3-12.8-175.4-60.1-31.8000113.8E85 S132E85-H134 IonicContact OE1-CD2 2.69Å; S132-H134 PolarHBondContact O-N 2.85Å; S132-H134 PolarHBondContact OG-N 2.76Å
135V79.8Confident85.5Confident4 Ų419.6 Ų19.62%0.02410%0.103CC..SBendtrans-92.5158.5175.4-58.20000111.8V46 L67 H69 S132V46-V135 HydrophobicContact CG1-CG1 4.24Å; V46-V135 WeakPolarHBondContact O-CG1 3.46Å; L67-V135 HydrophobicContact CB-CB 4.22Å; L67-V135 HydrophobicContact CB-CG2 4.06Å; L67-V135 HydrophobicContact CD1-CB 4.32Å; L67-V135 HydrophobicContact CD1-CG1 4.38Å; H69-V135 PolarHBondContact ND1-O 2.79Å; S132-V135 WeakPolarHBondContact O-CG2 3.34Å
136V77.1Confident85.5Confident46 Ų4618.7 Ų18.728%0.27910%0.096SC..PPolyproline II helixtrans-93149.8163.8-70.20000109.6L67 L138 A282 N286L67-V136 WeakPolarHBondContact CB-O 3.46Å; V136-L138 HydrophobicContact CG2-CB 4.43Å; V136-L138 PolarHBondContact O-N 2.93Å; V136-L138 VanDerWaalsContact O-N 3.11Å; V136-A282 HydrophobicContact CG2-CB 4.4Å; V136-N286 HydrophobicContact CB-CB 4.45Å; V136-N286 HydrophobicContact CG2-CB 4.17Å
137N76Confident85.3Confident20 Ų2018.8 Ų18.811%0.10710%0.096CC..SBendtrans-53.7117.7168.3-74.6-30.2000109.5I5 L67 V68 H69I5-N137 HydrophobicContact CB-CB 3.96Å; I5-N137 HydrophobicContact CD1-CB 3.95Å; I5-N137 WeakPolarHBondContact CD1-O 3.23Å; I5-N137 HydrophobicContact CG2-CB 3.89Å; L67-N137 WeakPolarHBondContact O-CA 3.35Å; V68-N137 WeakPolarHBondContact CA-OD1 3.4Å; H69-N137 PolarHBondContact N-OD1 3.05Å
138L80.4Confident84.6Confident1 Ų123.5 Ų23.51%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-163.1132.6-174.3-166.462.3000111.2I28 L67 V136 L140 L285 L289I28-L138 HydrophobicContact CD1-CD1 3.76Å; L67-L138 HydrophobicContact CB-CB 4.38Å; L67-L138 WeakPolarHBondContact CB-O 3.31Å; L67-L138 HydrophobicContact CD1-CB 4.41Å; L67-L138 PolarHBondContact N-O 3.06Å; L67-L138 PolarHBondContact O-N 3.09Å; L67-L138 VanDerWaalsContact O-N 3.09Å; V136-L138 HydrophobicContact CG2-CB 4.43Å; V136-L138 PolarHBondContact O-N 2.93Å; V136-L138 VanDerWaalsContact O-N 3.11Å; L138-L140 HydrophobicContact CB-CD1 4.35Å; L138-L140 HydrophobicContact CD2-CD1 3.9Å; L138-L140 HydrophobicContact CD2-CD2 4.06Å; L138-L140 HydrophobicContact CD2-CG 4.2Å; L138-L140 HydrophobicContact CG-CD1 3.84Å; L138-L140 HydrophobicContact CG-CD2 4.41Å; L138-L140 HydrophobicContact CG-CG 4.06Å; L138-L285 HydrophobicContact CD1-CB 4.05Å; L138-L285 HydrophobicContact CD2-CB 4.1Å; L138-L285 HydrophobicContact CD2-CD1 4.22Å; L138-L289 HydrophobicContact CD1-CB 4.49Å; L138-L289 HydrophobicContact CD1-CD2 3.84Å
139T83.3Confident84Confident3 Ų328.3 Ų28.32%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-114.9119.9177.3-50.80000109.6N9 I64N9-T139 PolarHBondContact OD1-OG1 3.3Å; I64-T139 HydrophobicContact CG2-CG2 4.27Å
140L88.3Confident83.3Confident1 Ų129.2 Ų29.21%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-124.8145.7-177.6-47.2103.9000110.7I28 V30 L42 L45 L65 L67 L138I28-L140 CarbonylContact O-C 3.58Å; I28-L140 WeakPolarHBondContact O-CA 3.49Å; V30-L140 HydrophobicContact CG2-CD2 4.48Å; L42-L140 HydrophobicContact CD2-CB 4.12Å; L42-L140 HydrophobicContact CD2-CD1 4.46Å; L42-L140 HydrophobicContact CD2-CD2 3.78Å; L42-L140 HydrophobicContact CD2-CG 4.34Å; L45-L140 HydrophobicContact CD1-CD2 3.92Å; L65-L140 PolarHBondContact N-O 3.43Å; L65-L140 PolarHBondContact O-N 3.42Å; L67-L140 HydrophobicContact CD1-CD1 4.24Å; L67-L140 HydrophobicContact CG-CD1 4.35Å; L138-L140 HydrophobicContact CB-CD1 4.35Å; L138-L140 HydrophobicContact CD2-CD1 3.9Å; L138-L140 HydrophobicContact CD2-CD2 4.06Å; L138-L140 HydrophobicContact CD2-CG 4.2Å; L138-L140 HydrophobicContact CG-CD1 3.84Å; L138-L140 HydrophobicContact CG-CD2 4.41Å; L138-L140 HydrophobicContact CG-CG 4.06Å
141V89.8Confident82.6Confident0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-110.7109.6172.7-169.70000108.2Q27 I28 V30 P62 L63 I64 L143Q27-V141 HydrophobicContact CB-CG2 4.4Å; Q27-V141 HydrophobicContact CG-CG2 4.44Å; I28-V141 PolarHBondContact O-N 3.44Å; V30-V141 PolarHBondContact N-O 3.18Å; P62-V141 HydrophobicContact CB-CG1 4.34Å; L63-V141 WeakPolarHBondContact O-CA 3.47Å; I64-V141 HydrophobicContact CG1-CG1 4.29Å; I64-V141 HydrophobicContact CG1-CG2 4.25Å; V141-L143 HydrophobicContact CG1-CD2 4Å; V141-L143 HydrophobicContact CG1-CG 4.37Å
142D91.6Very high81.9Confident1 Ų133.8 Ų33.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-79.8118.6170.9-167.448.2000109.5K38 L42 T59 P62 L63K38-D142 WeakPolarHBondContact CD-OD1 3.4Å; K38-D142 WeakPolarHBondContact CE-OD1 3.31Å; K38-D142 VanDerWaalsContact CG-OD1 3.23Å; K38-D142 WeakPolarHBondContact CG-OD1 3.45Å; K38-D142 IonicContact NZ-OD1 3.49Å; K38-D142 PolarHBondContact NZ-OD1 3.3Å; K38-D142 IonicContact NZ-OD2 2.85Å; K38-D142 PolarHBondContact NZ-OD2 2.77Å; L42-D142 HydrophobicContact CD1-CB 3.57Å; L42-D142 VanDerWaalsContact CD1-CG 3.44Å; L42-D142 WeakPolarHBondContact CD1-OD1 3.37Å; T59-D142 VanDerWaalsContact CG2-OD2 3.28Å; T59-D142 WeakPolarHBondContact CG2-OD2 3.38Å; T59-D142 PolarHBondContact OG1-OD2 3.23Å; P62-D142 WeakPolarHBondContact CA-O 3.2Å; L63-D142 HydrophobicContact CB-CB 4.18Å; L63-D142 PolarHBondContact N-O 3.14Å; L63-D142 PolarHBondContact O-N 3.38Å
143L90.6Very high81.2Confident0 Ų038.5 Ų38.50%022%0.224CC..PPolyproline II helixtrans-101.2157.4178.7-63.9170.2000111A29 V31 K38 P62 V141 I166 H169A29-L143 HydrophobicContact CB-CD1 4.02Å; V31-L143 HydrophobicContact CG2-CD1 4.16Å; K38-L143 WeakPolarHBondContact CE-O 3.42Å; K38-L143 PolarHBondContact NZ-O 2.95Å; P62-L143 HydrophobicContact CB-CD2 4.22Å; P62-L143 HydrophobicContact CG-CD2 4.38Å; V141-L143 HydrophobicContact CG1-CD2 4Å; V141-L143 HydrophobicContact CG1-CG 4.37Å; L143-I166 HydrophobicContact CB-CG1 4.2Å; L143-I166 HydrophobicContact CD1-CB 4.46Å; L143-I166 HydrophobicContact CD1-CG1 4.15Å; L143-I166 HydrophobicContact CD1-CG2 4.36Å; L143-H169 HydrophobicContact CD1-CB 4.12Å; L143-H169 HydrophobicContact CD2-CB 4.25Å
144P88.4Confident80.8Confident1 Ų138.1 Ų38.11%0.00622%0.22CC..PPolyproline II helixtrans-53.4140.9170.4-28.237.9000112.3T59 I121 I162 L165T59-P144 WeakPolarHBondContact O-CA 3.4Å; T59-P144 VanDerWaalsContact O-CB 3.3Å; T59-P144 WeakPolarHBondContact O-CB 3.29Å; T59-P144 WeakPolarHBondContact O-CG 3.4Å; I121-P144 HydrophobicContact CD1-CB 4.36Å; P144-I162 HydrophobicContact CB-CG1 4.35Å; P144-I162 HydrophobicContact CB-CG2 4.25Å; P144-L165 HydrophobicContact CG-CD2 3.83Å
145G87.9Confident80.8Confident10 Ų1032.9 Ų32.910%0.10320%0.2CC..PPolyproline II helixtrans-76.5135.2178.800000111.5G32 T147G32-G145 WeakPolarHBondContact O-CA 3.36Å; G145-T147 PolarHBondContact O-N 2.95Å
146I86.8Confident80.9Confident17 Ų1742.1 Ų42.19%0.08724%0.239CC..BIsolated β-bridgetrans-61.3127.7-179.5-55.7168.3000110V31 G32 Q34 I162 I166 E191 V195V31-I146 HydrophobicContact CG1-CD1 4.37Å; G32-I146 PolarHBondContact O-N 3.3Å; Q34-I146 PolarHBondContact N-O 3.2Å; I146-I162 HydrophobicContact CG1-CG2 4.42Å; I146-I166 HydrophobicContact CD1-CD1 4.22Å; I146-I166 HydrophobicContact CG1-CD1 3.65Å; I146-E191 HydrophobicContact CD1-CB 4.07Å; I146-V195 HydrophobicContact CD1-CG2 4.14Å
147T83.4Confident81.2Confident7 Ų743.5 Ų43.54%0.04325%0.245CC..  trans-121.7146.9174.259.70000110.3Q34 I57 G145 E159 I162Q34-T147 HydrophobicContact CB-CG2 3.96Å; Q34-T147 HydrophobicContact CG-CG2 4.37Å; I57-T147 HydrophobicContact CD1-CG2 3.91Å; I57-T147 HydrophobicContact CG1-CG2 3.74Å; G145-T147 PolarHBondContact O-N 2.95Å; T147-E159 WeakPolarHBondContact O-CB 3.45Å; T147-E159 VanDerWaalsContact O-CG 3.3Å; T147-E159 WeakPolarHBondContact O-CG 3.39Å; T147-I162 WeakPolarHBondContact OG1-CD1 3.39Å
148K74.2Confident81.6Confident128 Ų12842.6 Ų42.656%0.55724%0.24SC*.SBendtrans-105.7-9.2-179-66.3-170.4174.3-174.30114.7E191K148-E191 WeakPolarHBondContact CE-OE1 3.39Å; K148-E191 IonicContact NZ-OE1 2.69Å; K148-E191 PolarHBondContact NZ-OE1 3.05Å
149V77.6Confident81.9Confident103 Ų10345.9 Ų45.962%0.62426%0.256SS*.SBendtrans-140.6122.7-177.3-175.30000107.6
150P75Confident82.1Confident52 Ų5250.5 Ų50.534%0.33828%0.279SS..  trans-65.4137.3174.827.2-34000110.3Q154 I158P150-Q154 HydrophobicContact CB-CB 4.03Å; P150-I158 HydrophobicContact CB-CG2 3.86Å
151V73.2Confident82Confident72 Ų7253.5 Ų53.544%0.43629%0.293SS..  trans-123.4123.9-177.6-78.40000112.6Q154V151-Q154 WeakPolarHBondContact O-CG 3Å
152G73.3Confident82Confident63 Ų6353.5 Ų53.565%0.64929%0.293SS*.SBendtrans68.7-135.7-172.200000111.3Q154G152-Q154 PolarHBondContact O-N 3.24Å; G152-Q154 VanDerWaalsContact O-N 3.08Å
153D70.9Confident82Confident100 Ų10057 Ų5754%0.53531%0.306SS..SBendtrans-77.712.1-172-35.7-80000113.9K119K119-D153 IonicContact NZ-OD2 3.97Å; K119-D153 PolarHBondContact NZ-OD2 3.46Å
154Q72.6Confident82Confident18 Ų1861.3 Ų61.38%0.08433%0.329CS..  trans-68.2141.2178.8-73178.7-18.800111.4I57 K119 P150 V151 G152 I158I57-Q154 VanDerWaalsContact CD1-NE2 3.31Å; K119-Q154 HydrophobicContact CB-CG 3.75Å; K119-Q154 HydrophobicContact CD-CG 4.27Å; P150-Q154 HydrophobicContact CB-CB 4.03Å; V151-Q154 WeakPolarHBondContact O-CG 3Å; G152-Q154 PolarHBondContact O-N 3.24Å; G152-Q154 VanDerWaalsContact O-N 3.08Å; Q154-I158 HydrophobicContact CB-CG2 4.45Å
155P77.2Confident82Confident44 Ų4461.3 Ų61.329%0.28633%0.329SS..  trans-65.3152.1177.430.5-36.5000111D157 I158P155-D157 WeakPolarHBondContact CB-OD1 3.41Å; P155-D157 PolarHBondContact O-N 2.75Å; P155-I158 HydrophobicContact CG-CB 4.19Å; P155-I158 HydrophobicContact CG-CD1 4.02Å; P155-I158 VanDerWaalsContact O-CB 3.31Å; P155-I158 WeakPolarHBondContact O-CB 3.24Å; P155-I158 WeakPolarHBondContact O-CG2 3.48Å; P155-I158 PolarHBondContact O-N 2.79Å; P155-I158 VanDerWaalsContact O-N 3.11Å
156K80.8Confident82.2Confident198 Ų19860.9 Ų60.986%0.86133%0.325SS*.THydrogen-bonded Turntrans-65.8-22.9-173.6-69.7-175.5178.8179.20113.5
157D84.9Confident82.4Confident75 Ų7561.9 Ų61.940%0.40133%0.33SS..THydrogen-bonded Turntrans-94.711.3178.956.9-54.5000113.4P155 E159 I160 Q161P155-D157 WeakPolarHBondContact CB-OD1 3.41Å; P155-D157 PolarHBondContact O-N 2.75Å; D157-E159 PolarHBondContact O-N 3Å; D157-E159 VanDerWaalsContact O-N 3.14Å; D157-I160 HydrophobicContact CB-CD1 4.44Å; D157-I160 WeakPolarHBondContact O-CA 3.45Å; D157-I160 WeakPolarHBondContact O-CB 3.23Å; D157-I160 PolarHBondContact O-N 3.18Å; D157-Q161 PolarHBondContact O-N 3.11Å; D157-Q161 PolarHBondContact OD2-NE2 3.49Å
158I83.9Confident82.7Confident1 Ų166.9 Ų66.91%0.00535%0.351CS..Hα-helixtrans-54.6-34.9-178.5-164.463.6000113.6I57 I121 P150 Q154 P155 I160 Q161 I162I57-I158 HydrophobicContact CD1-CG1 4.09Å; I121-I158 HydrophobicContact CD1-CD1 3.51Å; I121-I158 HydrophobicContact CD1-CG1 4.22Å; I121-I158 HydrophobicContact CG1-CD1 3.87Å; P150-I158 HydrophobicContact CB-CG2 3.86Å; Q154-I158 HydrophobicContact CB-CG2 4.45Å; P155-I158 HydrophobicContact CG-CB 4.19Å; P155-I158 HydrophobicContact CG-CD1 4.02Å; P155-I158 VanDerWaalsContact O-CB 3.31Å; P155-I158 WeakPolarHBondContact O-CB 3.24Å; P155-I158 WeakPolarHBondContact O-CG2 3.48Å; P155-I158 PolarHBondContact O-N 2.79Å; P155-I158 VanDerWaalsContact O-N 3.11Å; I158-I160 VanDerWaalsContact C-N 3.33Å; I158-I160 PolarHBondContact O-N 2.81Å; I158-Q161 PolarHBondContact O-N 3.28Å; I158-I162 HydrophobicContact CG1-CD1 4.13Å; I158-I162 HydrophobicContact CG1-CG1 4.5Å; I158-I162 WeakPolarHBondContact O-CD1 3.24Å; I158-I162 WeakPolarHBondContact O-CG1 3.44Å; I158-I162 PolarHBondContact O-N 2.74Å
159E85.9Confident83.4Confident69 Ų6962.1 Ų62.132%0.32233%0.331SS..Hα-helixtrans-61.8-41.2174.8178.8172.1-176.500111.6T147 D157 R163T147-E159 WeakPolarHBondContact O-CB 3.45Å; T147-E159 VanDerWaalsContact O-CG 3.3Å; T147-E159 WeakPolarHBondContact O-CG 3.39Å; D157-E159 PolarHBondContact O-N 3Å; D157-E159 VanDerWaalsContact O-N 3.14Å; E159-R163 VanDerWaalsContact O-CB 3.23Å; E159-R163 WeakPolarHBondContact O-CB 3.48Å; E159-R163 PolarHBondContact O-N 3.43Å
160I87.7Confident84.1Confident100 Ų10057.2 Ų57.251%0.51330%0.301SS..Hα-helixtrans-69-46.7178.8-56175000109.1D157 I158 I162 R163 D164D157-I160 HydrophobicContact CB-CD1 4.44Å; D157-I160 WeakPolarHBondContact O-CA 3.45Å; D157-I160 WeakPolarHBondContact O-CB 3.23Å; D157-I160 PolarHBondContact O-N 3.18Å; I158-I160 VanDerWaalsContact C-N 3.33Å; I158-I160 PolarHBondContact O-N 2.81Å; I160-I162 PolarHBondContact O-N 3.41Å; I160-R163 WeakPolarHBondContact O-CB 3.38Å; I160-R163 PolarHBondContact O-N 2.91Å; I160-R163 VanDerWaalsContact O-N 3.11Å; I160-D164 WeakPolarHBondContact O-CB 3.37Å; I160-D164 PolarHBondContact O-N 2.9Å
161Q87.4Confident84.8Confident65 Ų6558 Ų5830%0.30431%0.308SS..Hα-helixtrans-58.3-45.3176.9-63.5-179.713.200112.5D157 I158 R163 L165D157-Q161 PolarHBondContact O-N 3.11Å; D157-Q161 PolarHBondContact OD2-NE2 3.49Å; I158-Q161 PolarHBondContact O-N 3.28Å; Q161-R163 VanDerWaalsContact C-N 3.34Å; Q161-R163 PolarHBondContact O-N 2.86Å; Q161-L165 VanDerWaalsContact O-CB 3.27Å; Q161-L165 WeakPolarHBondContact O-CB 3.35Å; Q161-L165 PolarHBondContact O-N 3Å
162I88.9Confident85.5Confident0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-60.1-46174.4-66.7159.5000110.5I57 I121 P144 I146 T147 I158 I160 L165 I166I57-I162 HydrophobicContact CD1-CD1 3.69Å; I121-I162 HydrophobicContact CD1-CB 4.47Å; I121-I162 HydrophobicContact CD1-CD1 4.12Å; I121-I162 HydrophobicContact CD1-CG1 3.26Å; P144-I162 HydrophobicContact CB-CG1 4.35Å; P144-I162 HydrophobicContact CB-CG2 4.25Å; I146-I162 HydrophobicContact CG1-CG2 4.42Å; T147-I162 WeakPolarHBondContact OG1-CD1 3.39Å; I158-I162 HydrophobicContact CG1-CD1 4.13Å; I158-I162 HydrophobicContact CG1-CG1 4.5Å; I158-I162 WeakPolarHBondContact O-CD1 3.24Å; I158-I162 WeakPolarHBondContact O-CG1 3.44Å; I158-I162 PolarHBondContact O-N 2.74Å; I160-I162 PolarHBondContact O-N 3.41Å; I162-L165 PolarHBondContact O-N 2.81Å; I162-I166 HydrophobicContact CG2-CD1 3.63Å; I162-I166 HydrophobicContact CG2-CG1 4.38Å; I162-I166 WeakPolarHBondContact O-CB 3.38Å; I162-I166 VanDerWaalsContact O-CG1 3.24Å; I162-I166 WeakPolarHBondContact O-CG1 3.34Å; I162-I166 PolarHBondContact O-N 2.88Å
163R90.6Very high86.1Confident74 Ų7455.7 Ų55.728%0.27928%0.282SS..Hα-helixtrans-64.8-45.3-177.2-176-176.7-176.6125.30.9111.7E159 I160 Q161 I166 L167 E198E159-R163 VanDerWaalsContact O-CB 3.23Å; E159-R163 WeakPolarHBondContact O-CB 3.48Å; E159-R163 PolarHBondContact O-N 3.43Å; I160-R163 WeakPolarHBondContact O-CB 3.38Å; I160-R163 PolarHBondContact O-N 2.91Å; I160-R163 VanDerWaalsContact O-N 3.11Å; Q161-R163 VanDerWaalsContact C-N 3.34Å; Q161-R163 PolarHBondContact O-N 2.86Å; R163-I166 PolarHBondContact O-N 3.27Å; R163-L167 HydrophobicContact CG-CD1 4.02Å; R163-L167 HydrophobicContact CG-CG 4.46Å; R163-L167 WeakPolarHBondContact O-CB 3.49Å; R163-L167 VanDerWaalsContact O-CG 3.29Å; R163-L167 WeakPolarHBondContact O-CG 3.27Å; R163-L167 PolarHBondContact O-N 2.99Å; R163-E198 IonicContact CZ-OE1 2.65Å; R163-E198 IonicContact CZ-OE2 2.76Å; R163-E198 IonicContact NE-OE2 2.67Å; R163-E198 IonicContact NH2-OE1 3.53Å; R163-E198 PolarHBondContact NH2-OE1 2.97Å; R163-E198 IonicContact NH2-OE2 2.82Å; R163-E198 PolarHBondContact NH2-OE2 2.95Å
164D90.6Very high86.7Confident90 Ų9052.1 Ų52.148%0.48126%0.263SS..Hα-helixtrans-65.8-41.1178.7-69.9-12.2000110.8I160 I166 L167 K168I160-D164 WeakPolarHBondContact O-CB 3.37Å; I160-D164 PolarHBondContact O-N 2.9Å; D164-I166 PolarHBondContact O-N 3Å; D164-L167 PolarHBondContact O-N 2.79Å; D164-K168 WeakPolarHBondContact O-CB 3.42Å; D164-K168 PolarHBondContact O-N 3.17Å
165L89.1Confident87.5Confident2 Ų251.2 Ų51.21%0.0126%0.259CS..Hα-helixtrans-61.5-42.2172.6178.361.2000112.3P62 I121 D123 P144 Q161 I162 H169P62-L165 HydrophobicContact CG-CD1 3.96Å; P62-L165 HydrophobicContact CG-CD2 4.12Å; P62-L165 HydrophobicContact CG-CG 4.38Å; I121-L165 HydrophobicContact CG2-CD2 3.54Å; D123-L165 HydrophobicContact CB-CD1 4.38Å; P144-L165 HydrophobicContact CG-CD2 3.83Å; Q161-L165 VanDerWaalsContact O-CB 3.27Å; Q161-L165 WeakPolarHBondContact O-CB 3.35Å; Q161-L165 PolarHBondContact O-N 3Å; I162-L165 PolarHBondContact O-N 2.81Å; L165-H169 PolarHBondContact O-N 2.91Å; L165-H169 PolarHBondContact O-ND1 3.46Å
166I91.9Very high88.2Confident1 Ų149.3 Ų49.31%0.00525%0.246CC..Hα-helixtrans-63.1-51.3173.9-70.5163.7000109.9V31 L143 I146 I162 R163 D164 K168 H169 I170 V195V31-I166 HydrophobicContact CG1-CD1 4.45Å; V31-I166 HydrophobicContact CG1-CG2 4.06Å; V31-I166 HydrophobicContact CG2-CG2 3.86Å; L143-I166 HydrophobicContact CB-CG1 4.2Å; L143-I166 HydrophobicContact CD1-CB 4.46Å; L143-I166 HydrophobicContact CD1-CG1 4.15Å; L143-I166 HydrophobicContact CD1-CG2 4.36Å; I146-I166 HydrophobicContact CD1-CD1 4.22Å; I146-I166 HydrophobicContact CG1-CD1 3.65Å; I162-I166 HydrophobicContact CG2-CD1 3.63Å; I162-I166 HydrophobicContact CG2-CG1 4.38Å; I162-I166 WeakPolarHBondContact O-CB 3.38Å; I162-I166 VanDerWaalsContact O-CG1 3.24Å; I162-I166 WeakPolarHBondContact O-CG1 3.34Å; I162-I166 PolarHBondContact O-N 2.88Å; R163-I166 PolarHBondContact O-N 3.27Å; D164-I166 PolarHBondContact O-N 3Å; I166-K168 VanDerWaalsContact C-N 3.3Å; I166-K168 PolarHBondContact O-N 2.76Å; I166-H169 PolarHBondContact O-N 2.83Å; I166-I170 HydrophobicContact CG2-CD1 3.92Å; I166-I170 HydrophobicContact CG2-CG1 4.22Å; I166-I170 HydrophobicContact CG2-CG2 4.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.5Å; I166-I170 PolarHBondContact O-N 3.35Å; I166-V195 HydrophobicContact CG2-CG1 3.83Å
167L92.2Very high88.9Confident38 Ų3839.9 Ų39.920%0.19921%0.205CC..Hα-helixtrans-57.6-41.1-179.6-75.4172.1000111.8R163 D164 H169 I170 S171 V195 V199R163-L167 HydrophobicContact CG-CD1 4.02Å; R163-L167 HydrophobicContact CG-CG 4.46Å; R163-L167 WeakPolarHBondContact O-CB 3.49Å; R163-L167 VanDerWaalsContact O-CG 3.29Å; R163-L167 WeakPolarHBondContact O-CG 3.27Å; R163-L167 PolarHBondContact O-N 2.99Å; D164-L167 PolarHBondContact O-N 2.79Å; L167-H169 PolarHBondContact O-N 3.46Å; L167-I170 HydrophobicContact CD2-CD1 4.39Å; L167-I170 HydrophobicContact CD2-CG1 4.47Å; L167-I170 PolarHBondContact O-N 2.82Å; L167-S171 WeakPolarHBondContact O-CB 3.3Å; L167-S171 PolarHBondContact O-N 3.38Å; L167-S171 PolarHBondContact O-OG 3Å; L167-V195 HydrophobicContact CD2-CG1 4.37Å; L167-V199 HydrophobicContact CD2-CG1 3.79Å
168K89.3Confident89.4Confident112 Ų11236.3 Ų36.349%0.48719%0.186SC..Hα-helixtrans-52.5-40.9173.4-171.5-174.4-174.3-172.40112.1D123 D164 I166D123-K168 IonicContact OD2-NZ 2.87Å; D123-K168 PolarHBondContact OD2-NZ 2.98Å; D164-K168 WeakPolarHBondContact O-CB 3.42Å; D164-K168 PolarHBondContact O-N 3.17Å; I166-K168 VanDerWaalsContact C-N 3.3Å; I166-K168 PolarHBondContact O-N 2.76Å
169H88.1Confident89.9Confident28 Ų2836.3 Ų36.313%0.1319%0.186CC..Hα-helixtrans-81.1-43-179.9-70.979.3000113.4L143 L165 I166 L167 N172L143-H169 HydrophobicContact CD1-CB 4.12Å; L143-H169 HydrophobicContact CD2-CB 4.25Å; L165-H169 PolarHBondContact O-N 2.91Å; L165-H169 PolarHBondContact O-ND1 3.46Å; I166-H169 PolarHBondContact O-N 2.83Å; L167-H169 PolarHBondContact O-N 3.46Å; H169-N172 WeakPolarHBondContact O-CB 3.43Å
170I92.1Very high90.3Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-87.3-14.5-174.268.4169.7000114.8A29 V31 I166 L167 N172 I177 V195 V199 R205A29-I170 HydrophobicContact CB-CG2 3.93Å; V31-I170 HydrophobicContact CG2-CG2 3.86Å; I166-I170 HydrophobicContact CG2-CD1 3.92Å; I166-I170 HydrophobicContact CG2-CG1 4.22Å; I166-I170 HydrophobicContact CG2-CG2 4.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.5Å; I166-I170 PolarHBondContact O-N 3.35Å; L167-I170 HydrophobicContact CD2-CD1 4.39Å; L167-I170 HydrophobicContact CD2-CG1 4.47Å; L167-I170 PolarHBondContact O-N 2.82Å; I170-N172 PolarHBondContact O-N 3.44Å; I170-I177 HydrophobicContact CB-CD1 3.99Å; I170-I177 HydrophobicContact CB-CG1 4.07Å; I170-I177 HydrophobicContact CD1-CD1 4.36Å; I170-I177 HydrophobicContact CG2-CD1 4.5Å; I170-I177 HydrophobicContact CG2-CG1 4.14Å; I170-I177 HydrophobicContact CG2-CG2 4.48Å; I170-V195 HydrophobicContact CD1-CG1 3.63Å; I170-V199 HydrophobicContact CB-CG2 4.18Å; I170-V199 HydrophobicContact CD1-CG1 4.43Å; I170-V199 HydrophobicContact CD1-CG2 3.58Å; I170-V199 HydrophobicContact CG1-CG1 4.26Å; I170-V199 HydrophobicContact CG1-CG2 3.74Å; I170-R205 PolarHBondContact O-NH2 3.49Å
171S91.1Very high90.5Very high68 Ų6828.4 Ų28.448%0.47615%0.147SC..THydrogen-bonded Turntrans-69.6-16.8171.2-60.70000112.5L167 P173L167-S171 WeakPolarHBondContact O-CB 3.3Å; L167-S171 PolarHBondContact O-N 3.38Å; L167-S171 PolarHBondContact O-OG 3Å; S171-P173 WeakPolarHBondContact O-CD 3.18Å
172N86.1Confident90.7Very high14 Ų1425.6 Ų25.68%0.07514%0.135CC..SBendtrans-60.4118.2168.4176.7-2.5000109.2Q24 L25 H169 I170 N174 C175Q24-N172 WeakPolarHBondContact CB-OD1 3.33Å; L25-N172 PolarHBondContact O-ND2 3.4Å; H169-N172 WeakPolarHBondContact O-CB 3.43Å; I170-N172 PolarHBondContact O-N 3.44Å; N172-N174 PolarHBondContact O-N 2.86Å; N172-N174 WeakPolarHBondContact OD1-CA 3.35Å; N172-N174 WeakPolarHBondContact OD1-CB 3.5Å; N172-N174 PolarHBondContact OD1-N 2.95Å; N172-C175 HydrophobicContact CB-CB 4.06Å; N172-C175 VanDerWaalsContact O-CB 3.3Å; N172-C175 WeakPolarHBondContact O-CB 3.23Å; N172-C175 PolarHBondContact O-N 3.03Å
173P85.9Confident90.8Very high73 Ų7326.4 Ų26.447%0.47414%0.142SC..THydrogen-bonded Turntrans-63.4-25.7179.927.2-35.4000112.3S171 C175 R205S171-P173 WeakPolarHBondContact O-CD 3.18Å; P173-C175 PolarHBondContact O-N 3.26Å; P173-R205 WeakPolarHBondContact O-CD 3.48Å
174N84.1Confident90.6Very high24 Ų2426.9 Ų26.913%0.12815%0.15CC..THydrogen-bonded Turntrans-82.87.4176.2-60.7-21.1000112.7Q24 P26 Q27 N172 H292 C296Q24-N174 PolarHBondContact O-ND2 2.72Å; P26-N174 WeakPolarHBondContact CA-O 3.37Å; Q27-N174 PolarHBondContact N-O 3Å; N172-N174 PolarHBondContact O-N 2.86Å; N172-N174 WeakPolarHBondContact OD1-CA 3.35Å; N172-N174 WeakPolarHBondContact OD1-CB 3.5Å; N172-N174 PolarHBondContact OD1-N 2.95Å; N174-H292 WeakPolarHBondContact CA-NE2 3.2Å; N174-H292 PolarHBondContact O-CD2 3.13Å; N174-H292 PolarHBondContact O-NE2 3.34Å; N174-C296 PolarHBondContact OD1-SG 3.43Å
175C89.3Confident90.4Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-94.9126.5176.4-172.20000112.6Q27 A29 N172 P173 R205Q27-C175 HydrophobicContact CG-CB 4.29Å; Q27-C175 WeakPolarHBondContact O-CA 3.41Å; A29-C175 WeakPolarHBondContact CB-SG 3.34Å; N172-C175 HydrophobicContact CB-CB 4.06Å; N172-C175 VanDerWaalsContact O-CB 3.3Å; N172-C175 WeakPolarHBondContact O-CB 3.23Å; N172-C175 PolarHBondContact O-N 3.03Å; P173-C175 PolarHBondContact O-N 3.26Å; C175-R205 WeakPolarHBondContact O-CD 3.28Å; C175-R205 WeakPolarHBondContact O-CG 3.14Å; C175-R205 PolarHBondContact O-NE 3.43Å
176I92.8Very high90Very high4 Ų430.7 Ų30.72%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-80.2127.9165.8-60.1175.7000108.2Q27 I28 A29 R205 L235 L288 H292Q27-I176 PolarHBondContact O-N 3.29Å; I28-I176 CarbonylContact C-O 3.57Å; I28-I176 WeakPolarHBondContact CA-O 3.18Å; I28-I176 HydrophobicContact CG1-CB 4.32Å; I28-I176 HydrophobicContact CG2-CB 4.48Å; I28-I176 HydrophobicContact CG2-CG2 4.41Å; A29-I176 PolarHBondContact N-O 2.81Å; I176-R205 WeakPolarHBondContact CA-O 3.4Å; I176-L235 HydrophobicContact CG2-CD1 4Å; I176-L288 HydrophobicContact CD1-CB 4.21Å; I176-H292 HydrophobicContact CD1-CB 3.92Å; I176-H292 HydrophobicContact CG1-CB 4.48Å
177I95.2Very high89.2Confident0 Ų031.2 Ų31.20%018%0.176CC..EExtended strand (participates in β ladder)trans-96.4117.5-178.3-53.6172.7000109V31 I170 A196 V199 D200 R205 T206 L207V31-I177 HydrophobicContact CG2-CG2 4.19Å; I170-I177 HydrophobicContact CB-CD1 3.99Å; I170-I177 HydrophobicContact CB-CG1 4.07Å; I170-I177 HydrophobicContact CD1-CD1 4.36Å; I170-I177 HydrophobicContact CG2-CD1 4.5Å; I170-I177 HydrophobicContact CG2-CG1 4.14Å; I170-I177 HydrophobicContact CG2-CG2 4.48Å; I177-A196 HydrophobicContact CD1-CB 4.33Å; I177-A196 HydrophobicContact CG2-CB 3.92Å; I177-V199 HydrophobicContact CD1-CG2 3.6Å; I177-D200 HydrophobicContact CD1-CB 4.24Å; I177-R205 PolarHBondContact N-O 3.3Å; I177-T206 HydrophobicContact CB-CG2 4.43Å; I177-T206 WeakPolarHBondContact O-CA 3.34Å; I177-L207 PolarHBondContact O-N 2.83Å
178L95.3Very high88.6Confident0 Ų032.5 Ų32.50%019%0.192CC..EExtended strand (participates in β ladder)trans-97.495.3174.3-166.965000109.7I28 A29 V30 V31 V180 L207 V209 L285I28-L178 HydrophobicContact CG2-CB 4.01Å; A29-L178 PolarHBondContact O-N 3.34Å; V30-L178 HydrophobicContact CG1-CB 4.31Å; V30-L178 HydrophobicContact CG1-CD2 4.1Å; V30-L178 HydrophobicContact CG1-CG 4.38Å; V30-L178 HydrophobicContact CG2-CB 4.28Å; V30-L178 HydrophobicContact CG2-CD2 3.96Å; V31-L178 PolarHBondContact N-O 2.84Å; L178-V180 HydrophobicContact CG-CG2 4.4Å; L178-V180 PolarHBondContact O-N 2.85Å; L178-L207 HydrophobicContact CD1-CB 4.11Å; L178-L207 HydrophobicContact CD1-CD2 3.7Å; L178-L207 HydrophobicContact CD1-CG 3.98Å; L178-V209 HydrophobicContact CD1-CG2 3.44Å; L178-V209 VanDerWaalsContact CD1-CG2 3.44Å; L178-V209 HydrophobicContact CG-CG2 4.02Å; L178-L285 HydrophobicContact CD1-CD2 3.86Å; L178-L285 HydrophobicContact CD2-CD1 4.36Å; L178-L285 HydrophobicContact CD2-CD2 4.4Å
179A94.8Very high88.4Confident0 Ų031.7 Ų31.70%020%0.196CC..EExtended strand (participates in β ladder)trans-86.598.5-175.400000111.1A192 L193 T206 L207 V209A179-A192 HydrophobicContact CB-CB 4.29Å; A179-L193 HydrophobicContact CB-CD2 3.66Å; A179-L193 HydrophobicContact CB-CG 4.23Å; A179-T206 HydrophobicContact CB-CG2 4.17Å; A179-L207 PolarHBondContact N-O 2.95Å; A179-V209 PolarHBondContact O-N 2.89Å
180V94.3Very high88.3Confident0 Ų030.9 Ų30.90%019%0.194CC..EExtended strand (participates in β ladder)trans-90113.6-176.2-173.20000110.9V30 V31 S36 V41 L178 V209 T211V30-V180 HydrophobicContact CG1-CG2 3.51Å; V31-V180 PolarHBondContact O-N 3.35Å; S36-V180 WeakPolarHBondContact CB-O 3.35Å; S36-V180 PolarHBondContact OG-O 3.33Å; V41-V180 HydrophobicContact CG2-CG1 4.36Å; L178-V180 HydrophobicContact CG-CG2 4.4Å; L178-V180 PolarHBondContact O-N 2.85Å; V180-V209 HydrophobicContact CG2-CB 4.39Å; V180-T211 HydrophobicContact CG1-CG2 3.56Å
181T92.3Very high88.2Confident4 Ų432.1 Ų32.13%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-123.6148.4180-51.60000110.4M187 S190 V209 V210 T211T181-M187 HydrophobicContact CG2-CG 4.11Å; T181-S190 PolarHBondContact OG1-OG 3.37Å; T181-V209 PolarHBondContact N-O 3.07Å; T181-V210 CarbonylContact O-C 3.57Å; T181-V210 WeakPolarHBondContact O-CA 3.42Å; T181-T211 PolarHBondContact O-N 2.9Å; T181-T211 PolarHBondContact O-OG1 2.66Å
182A91.8Very high88.2Confident6 Ų628.9 Ų28.95%0.0518%0.177CC..EExtended strand (participates in β ladder)trans-91.1137.2175.800000111.9N184 T185 K212A182-N184 WeakPolarHBondContact CB-OD1 3.47Å; A182-N184 PolarHBondContact O-N 3.05Å; A182-T185 PolarHBondContact O-N 2.92Å; A182-T185 PolarHBondContact O-OG1 2.86Å; A182-K212 HydrophobicContact CB-CD 4.03Å
183A90.3Very high88.5Confident17 Ų1728.6 Ų28.614%0.1418%0.175CC..THydrogen-bonded Turntrans-66.7-22.6-177.300000114.2T185 V210 T211 L213 M216A183-T185 PolarHBondContact O-N 2.95Å; A183-V210 HydrophobicContact CB-CG1 3.68Å; A183-T211 VanDerWaalsContact CB-O 3.23Å; A183-T211 WeakPolarHBondContact CB-O 3.09Å; A183-T211 PolarHBondContact N-O 3.19Å; A183-L213 HydrophobicContact CB-CD2 3.91Å; A183-M216 HydrophobicContact CB-CG 3.74Å; A183-M216 HydrophobicContact CB-SD 3.89Å
184N87.3Confident88.7Confident84 Ų8429.9 Ų29.945%0.44917%0.173SC..THydrogen-bonded Turntrans-83.910.4176.877.1-48000113.3A182 L215A182-N184 WeakPolarHBondContact CB-OD1 3.47Å; A182-N184 PolarHBondContact O-N 3.05Å; N184-L215 WeakPolarHBondContact CB-O 3.34Å
185T84.5Confident89.1Confident73 Ų7329 Ų2945%0.44817%0.168SC..SBendtrans-126.8146173.8550000109.5A182 A183 M187A182-T185 PolarHBondContact O-N 2.92Å; A182-T185 PolarHBondContact O-OG1 2.86Å; A183-T185 PolarHBondContact O-N 2.95Å; T185-M187 PolarHBondContact O-N 3.49Å
186D81.2Confident89.3Confident98 Ų9829 Ų2952%0.52417%0.169SC..  trans-62.9112.7178.317713000110.7A188 T189D186-A188 PolarHBondContact O-N 3.28Å; D186-A188 WeakPolarHBondContact OD1-CB 3.37Å; D186-A188 PolarHBondContact OD1-N 3.14Å; D186-T189 HydrophobicContact CB-CG2 4.45Å; D186-T189 PolarHBondContact O-N 2.86Å; D186-T189 PolarHBondContact O-OG1 2.8Å
187M76.6Confident89.3Confident13 Ų1334.7 Ų34.76%0.06419%0.19CC..G310 helixtrans-62.5-25-177.5-160.8176.276.200112.6T181 T185 T189 S190 L193 V210 V225 I231 I237T181-M187 HydrophobicContact CG2-CG 4.11Å; T185-M187 PolarHBondContact O-N 3.49Å; M187-T189 PolarHBondContact O-N 2.83Å; M187-S190 VanDerWaalsContact O-CB 3.29Å; M187-S190 WeakPolarHBondContact O-CB 3.31Å; M187-S190 PolarHBondContact O-N 2.95Å; M187-L193 HydrophobicContact CG-CD1 3.79Å; M187-L193 HydrophobicContact SD-CD1 4.41Å; M187-V210 HydrophobicContact SD-CG2 3.88Å; M187-V225 HydrophobicContact CE-CB 4.19Å; M187-V225 HydrophobicContact CE-CG1 3.65Å; M187-V225 HydrophobicContact CE-CG2 3.89Å; M187-V225 HydrophobicContact SD-CG1 3.51Å; M187-V225 VanDerWaalsContact SD-CG1 3.51Å; M187-V225 HydrophobicContact SD-CG2 4.37Å; M187-I231 HydrophobicContact CB-CD1 4.47Å; M187-I231 HydrophobicContact CE-CB 3.78Å; M187-I231 HydrophobicContact CE-CD1 3.74Å; M187-I231 HydrophobicContact CE-CG1 3.75Å; M187-I231 HydrophobicContact CG-CD1 4.08Å; M187-I231 WeakPolarHBondContact O-CD1 3.44Å; M187-I237 HydrophobicContact CE-CD1 4.24Å
188A79Confident89.2Confident65 Ų6539.2 Ų39.254%0.53721%0.211SC..G310 helixtrans-63.8-23.9173.100000113D186D186-A188 PolarHBondContact O-N 3.28Å; D186-A188 WeakPolarHBondContact OD1-CB 3.37Å; D186-A188 PolarHBondContact OD1-N 3.14Å
189T84.1Confident89.1Confident94 Ų9440.6 Ų40.658%0.57722%0.22SC*.G310 helixtrans-98.67.7177.368.80000113.7D186 M187 E191D186-T189 HydrophobicContact CB-CG2 4.45Å; D186-T189 PolarHBondContact O-N 2.86Å; D186-T189 PolarHBondContact O-OG1 2.8Å; M187-T189 PolarHBondContact O-N 2.83Å; T189-E191 PolarHBondContact O-N 2.83Å; T189-E191 VanDerWaalsContact O-N 3.14Å
190S87.2Confident89.1Confident11 Ų1141 Ų418%0.07722%0.221CC..  trans-64.3113.2-177.6-179.60000112.4T181 M187 A192 L193 K194T181-S190 PolarHBondContact OG1-OG 3.37Å; M187-S190 VanDerWaalsContact O-CB 3.29Å; M187-S190 WeakPolarHBondContact O-CB 3.31Å; M187-S190 PolarHBondContact O-N 2.95Å; S190-A192 PolarHBondContact O-N 3.09Å; S190-A192 PolarHBondContact OG-N 3.19Å; S190-L193 PolarHBondContact O-N 3.22Å; S190-L193 VanDerWaalsContact O-N 3.16Å; S190-K194 PolarHBondContact O-N 2.72Å
191E89.4Confident88.9Confident27 Ų2745.8 Ų45.813%0.12625%0.253CS..Hα-helixtrans-60.5-29174.6-57.5-63.316500111.8T33 I146 K148 T189 K194 V195T33-E191 HydrophobicContact CG2-CB 4.04Å; T33-E191 HydrophobicContact CG2-CG 4.29Å; I146-E191 HydrophobicContact CD1-CB 4.07Å; K148-E191 WeakPolarHBondContact CE-OE1 3.39Å; K148-E191 IonicContact NZ-OE1 2.69Å; K148-E191 PolarHBondContact NZ-OE1 3.05Å; T189-E191 PolarHBondContact O-N 2.83Å; T189-E191 VanDerWaalsContact O-N 3.14Å; E191-K194 PolarHBondContact O-N 3.19Å; E191-K194 IonicContact OE1-NZ 2.97Å; E191-K194 WeakPolarHBondContact OE2-CD 3.37Å; E191-K194 IonicContact OE2-NZ 2.68Å; E191-K194 PolarHBondContact OE2-NZ 3.28Å; E191-V195 WeakPolarHBondContact O-CB 3.37Å; E191-V195 WeakPolarHBondContact O-CG2 3.42Å; E191-V195 PolarHBondContact O-N 3.03Å
192A91.6Very high88.8Confident0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-64.4-42.5176.300000112V31 A179 S190 A196V31-A192 HydrophobicContact CG1-CB 4.31Å; A179-A192 HydrophobicContact CB-CB 4.29Å; S190-A192 PolarHBondContact O-N 3.09Å; S190-A192 PolarHBondContact OG-N 3.19Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.5Å; A192-A196 PolarHBondContact O-N 3.47Å; A192-A196 VanDerWaalsContact O-N 3.08Å
193L91.4Very high88.7Confident7 Ų749.6 Ų49.64%0.03727%0.273CS..Hα-helixtrans-75.6-30.5176.5-70.3170.9000112.4A179 M187 S190 R197 T206 A208 I231 V233A179-L193 HydrophobicContact CB-CD2 3.66Å; A179-L193 HydrophobicContact CB-CG 4.23Å; M187-L193 HydrophobicContact CG-CD1 3.79Å; M187-L193 HydrophobicContact SD-CD1 4.41Å; S190-L193 PolarHBondContact O-N 3.22Å; S190-L193 VanDerWaalsContact O-N 3.16Å; L193-R197 WeakPolarHBondContact O-CB 3.27Å; L193-R197 VanDerWaalsContact O-CG 3.3Å; L193-R197 WeakPolarHBondContact O-CG 3.42Å; L193-R197 PolarHBondContact O-N 2.65Å; L193-T206 HydrophobicContact CD2-CG2 4.4Å; L193-A208 HydrophobicContact CD2-CB 4.15Å; L193-I231 HydrophobicContact CD1-CD1 3.69Å; L193-I231 HydrophobicContact CD1-CG2 4.39Å; L193-V233 HydrophobicContact CD2-CG1 4.46Å
194K91.4Very high88.8Confident101 Ų10157 Ų5744%0.43930%0.298SS..Hα-helixtrans-66.3-51.2174.8-172.6-171177.4-174.30111.5S190 E191 A196 R197 E198S190-K194 PolarHBondContact O-N 2.72Å; E191-K194 PolarHBondContact O-N 3.19Å; E191-K194 IonicContact OE1-NZ 2.97Å; E191-K194 WeakPolarHBondContact OE2-CD 3.37Å; E191-K194 IonicContact OE2-NZ 2.68Å; E191-K194 PolarHBondContact OE2-NZ 3.28Å; K194-A196 VanDerWaalsContact C-N 3.31Å; K194-A196 PolarHBondContact O-N 2.79Å; K194-R197 PolarHBondContact O-N 2.9Å; K194-R197 VanDerWaalsContact O-N 3.15Å; K194-E198 PolarHBondContact O-N 2.98Å
195V92.5Very high89Confident4 Ų455.1 Ų55.12%0.02428%0.284CS..Hα-helixtrans-63.2-36.6175.8171.60000111.1I146 I166 L167 I170 E191 E198I146-V195 HydrophobicContact CD1-CG2 4.14Å; I166-V195 HydrophobicContact CG2-CG1 3.83Å; L167-V195 HydrophobicContact CD2-CG1 4.37Å; I170-V195 HydrophobicContact CD1-CG1 3.63Å; E191-V195 WeakPolarHBondContact O-CB 3.37Å; E191-V195 WeakPolarHBondContact O-CG2 3.42Å; E191-V195 PolarHBondContact O-N 3.03Å; V195-E198 PolarHBondContact O-N 3.16Å
196A93.3Very high89.5Confident1 Ų151.8 Ų51.81%0.00826%0.264CS..Hα-helixtrans-62.1-44.7171.700000112.6I177 A192 K194 E198 V199 D200 T206I177-A196 HydrophobicContact CD1-CB 4.33Å; I177-A196 HydrophobicContact CG2-CB 3.92Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.5Å; A192-A196 PolarHBondContact O-N 3.47Å; A192-A196 VanDerWaalsContact O-N 3.08Å; K194-A196 VanDerWaalsContact C-N 3.31Å; K194-A196 PolarHBondContact O-N 2.79Å; A196-E198 VanDerWaalsContact C-N 3.27Å; A196-E198 PolarHBondContact O-N 3.34Å; A196-V199 WeakPolarHBondContact O-CG2 2.76Å; A196-V199 PolarHBondContact O-N 2.68Å; A196-D200 WeakPolarHBondContact O-CA 3.49Å; A196-D200 WeakPolarHBondContact O-CB 3.4Å; A196-D200 PolarHBondContact O-N 2.71Å; A196-T206 HydrophobicContact CB-CG2 3.89Å
197R91.7Very high90.2Very high124 Ų12447.1 Ų47.147%0.46824%0.239SC..Hα-helixtrans-64.9-24.7179.3-80.9173.7172.2179.2-2.9114.4L193 K194 V199 P201L193-R197 WeakPolarHBondContact O-CB 3.27Å; L193-R197 VanDerWaalsContact O-CG 3.3Å; L193-R197 WeakPolarHBondContact O-CG 3.42Å; L193-R197 PolarHBondContact O-N 2.65Å; K194-R197 PolarHBondContact O-N 2.9Å; K194-R197 VanDerWaalsContact O-N 3.15Å; R197-V199 VanDerWaalsContact C-N 3.25Å; R197-V199 PolarHBondContact O-N 3.36Å; R197-P201 VanDerWaalsContact O-CA 3.31Å; R197-P201 WeakPolarHBondContact O-CA 3.22Å
198E92.9Very high91Very high94 Ų9446.6 Ų46.644%0.43924%0.236SC..Hα-helixtrans-66.8-28.2175.7-71.6169.7-159.500112.2R163 K194 V195 A196R163-E198 IonicContact CZ-OE1 2.65Å; R163-E198 IonicContact CZ-OE2 2.76Å; R163-E198 IonicContact NE-OE2 2.67Å; R163-E198 IonicContact NH2-OE1 3.53Å; R163-E198 PolarHBondContact NH2-OE1 2.97Å; R163-E198 IonicContact NH2-OE2 2.82Å; R163-E198 PolarHBondContact NH2-OE2 2.95Å; K194-E198 PolarHBondContact O-N 2.98Å; V195-E198 PolarHBondContact O-N 3.16Å; A196-E198 VanDerWaalsContact C-N 3.27Å; A196-E198 PolarHBondContact O-N 3.34Å
199V93.6Very high91.8Very high30 Ų3043.5 Ų43.518%0.18221%0.211CC..Hα-helixtrans-111.8-14.9178.2-59.30000114.3L167 I170 I177 A196 R197 R205L167-V199 HydrophobicContact CD2-CG1 3.79Å; I170-V199 HydrophobicContact CB-CG2 4.18Å; I170-V199 HydrophobicContact CD1-CG1 4.43Å; I170-V199 HydrophobicContact CD1-CG2 3.58Å; I170-V199 HydrophobicContact CG1-CG1 4.26Å; I170-V199 HydrophobicContact CG1-CG2 3.74Å; I177-V199 HydrophobicContact CD1-CG2 3.6Å; A196-V199 WeakPolarHBondContact O-CG2 2.76Å; A196-V199 PolarHBondContact O-N 2.68Å; R197-V199 VanDerWaalsContact C-N 3.25Å; R197-V199 PolarHBondContact O-N 3.36Å; V199-R205 PolarHBondContact O-NH1 3.32Å; V199-R205 PolarHBondContact O-NH2 3.46Å
200D93.9Very high92.3Very high7 Ų739.2 Ų39.24%0.03719%0.185CC..  trans-140.568.1179.8-173.825.7000110.4I177 A196 D202 G203 R204 R205 T206I177-D200 HydrophobicContact CD1-CB 4.24Å; A196-D200 WeakPolarHBondContact O-CA 3.49Å; A196-D200 WeakPolarHBondContact O-CB 3.4Å; A196-D200 PolarHBondContact O-N 2.71Å; D200-D202 PolarHBondContact O-N 2.95Å; D200-G203 PolarHBondContact O-N 3.27Å; D200-G203 PolarHBondContact OD1-N 3.08Å; D200-G203 VanDerWaalsContact OD2-CA 3.22Å; D200-G203 WeakPolarHBondContact OD2-CA 3.07Å; D200-R204 VanDerWaalsContact CG-N 3.31Å; D200-R204 PolarHBondContact OD1-N 2.9Å; D200-R204 PolarHBondContact OD2-N 2.95Å; D200-R205 HydrophobicContact CB-CG 4.28Å; D200-R205 IonicContact OD1-NH1 3.34Å; D200-R205 PolarHBondContact OD2-N 3.31Å; D200-T206 WeakPolarHBondContact OD2-CB 3.29Å; D200-T206 PolarHBondContact OD2-N 3.4Å; D200-T206 PolarHBondContact OD2-OG1 2.81Å
201P91.6Very high92.6Very high102 Ų10238.7 Ų38.766%0.66218%0.181SC*.THydrogen-bonded Turntrans-62.4-29.9-173.123.6-34.5000113.4R197 G203R197-P201 VanDerWaalsContact O-CA 3.31Å; R197-P201 WeakPolarHBondContact O-CA 3.22Å; P201-G203 VanDerWaalsContact C-N 3.34Å
202D89.6Confident92.7Very high84 Ų8440.2 Ų40.245%0.44919%0.187SC..THydrogen-bonded Turntrans-82.3-9176.5-78.5-18.7000113.7D200 R204 K234D200-D202 PolarHBondContact O-N 2.95Å; D202-R204 VanDerWaalsContact C-N 3.32Å; D202-R204 HydrophobicContact CB-CG 3.66Å; D202-R204 PolarHBondContact O-N 3.42Å; D202-R204 IonicContact OD2-CZ 3.65Å; D202-R204 IonicContact OD2-NE 2.73Å; D202-R204 PolarHBondContact OD2-NE 2.91Å; D202-R204 IonicContact OD2-NH2 3.28Å; D202-R204 PolarHBondContact OD2-NH2 2.82Å; D202-K234 WeakPolarHBondContact O-CE 3.16Å; D202-K234 WeakPolarHBondContact O-CG 3.38Å
203G90.6Very high92.7Very high5 Ų540.3 Ų40.35%0.05219%0.188CC..  trans62.832-175.600000113.9D200 P201 K234D200-G203 PolarHBondContact O-N 3.27Å; D200-G203 PolarHBondContact OD1-N 3.08Å; D200-G203 VanDerWaalsContact OD2-CA 3.22Å; D200-G203 WeakPolarHBondContact OD2-CA 3.07Å; P201-G203 VanDerWaalsContact C-N 3.34Å; G203-K234 VanDerWaalsContact O-CB 3.25Å; G203-K234 WeakPolarHBondContact O-CB 3.39Å; G203-K234 WeakPolarHBondContact O-CG 3.46Å; G203-K234 PolarHBondContact O-N 2.98Å
204R91.1Very high92.6Very high174 Ų17443 Ų4366%0.65720%0.202SC*.SBendtrans-71.3-36.4-175.1-62.9-179.7-167.9-166.84.7112.8D200 D202 L235D200-R204 VanDerWaalsContact CG-N 3.31Å; D200-R204 PolarHBondContact OD1-N 2.9Å; D200-R204 PolarHBondContact OD2-N 2.95Å; D202-R204 VanDerWaalsContact C-N 3.32Å; D202-R204 HydrophobicContact CB-CG 3.66Å; D202-R204 PolarHBondContact O-N 3.42Å; D202-R204 IonicContact OD2-CZ 3.65Å; D202-R204 IonicContact OD2-NE 2.73Å; D202-R204 PolarHBondContact OD2-NE 2.91Å; D202-R204 IonicContact OD2-NH2 3.28Å; D202-R204 PolarHBondContact OD2-NH2 2.82Å; R204-L235 WeakPolarHBondContact O-CD2 3.34Å
205R92.8Very high92.5Very high43 Ų4342.9 Ų42.916%0.16221%0.206CC..SBendtrans-114.311-177.970.4-170.2-166.6-81.30.3113.1I170 P173 C175 I176 I177 V199 D200 L235I170-R205 PolarHBondContact O-NH2 3.49Å; P173-R205 WeakPolarHBondContact O-CD 3.48Å; C175-R205 WeakPolarHBondContact O-CD 3.28Å; C175-R205 WeakPolarHBondContact O-CG 3.14Å; C175-R205 PolarHBondContact O-NE 3.43Å; I176-R205 WeakPolarHBondContact CA-O 3.4Å; I177-R205 PolarHBondContact N-O 3.3Å; V199-R205 PolarHBondContact O-NH1 3.32Å; V199-R205 PolarHBondContact O-NH2 3.46Å; D200-R205 HydrophobicContact CB-CG 4.28Å; D200-R205 IonicContact OD1-NH1 3.34Å; D200-R205 PolarHBondContact OD2-N 3.31Å; R205-L235 VanDerWaalsContact C-CD1 3.49Å
206T94.6Very high92.2Very high4 Ų444.5 Ų44.53%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-102.2124.2179.9-56.80000111.6I177 A179 L193 A196 D200 V233 L235I177-T206 HydrophobicContact CB-CG2 4.43Å; I177-T206 WeakPolarHBondContact O-CA 3.34Å; A179-T206 HydrophobicContact CB-CG2 4.17Å; L193-T206 HydrophobicContact CD2-CG2 4.4Å; A196-T206 HydrophobicContact CB-CG2 3.89Å; D200-T206 WeakPolarHBondContact OD2-CB 3.29Å; D200-T206 PolarHBondContact OD2-N 3.4Å; D200-T206 PolarHBondContact OD2-OG1 2.81Å; T206-V233 HydrophobicContact CG2-CG1 4.32Å; T206-L235 WeakPolarHBondContact O-CB 3.38Å
207L94.8Very high91.7Very high0 Ų050.7 Ų50.70%025%0.247CC..EExtended strand (participates in β ladder)trans-110124.6171.1178.467.9000108.7I177 L178 A179 L235 G236 I238 L281 L285 L288I177-L207 PolarHBondContact O-N 2.83Å; L178-L207 HydrophobicContact CD1-CB 4.11Å; L178-L207 HydrophobicContact CD1-CD2 3.7Å; L178-L207 HydrophobicContact CD1-CG 3.98Å; A179-L207 PolarHBondContact N-O 2.95Å; L207-L235 HydrophobicContact CB-CB 3.98Å; L207-L235 HydrophobicContact CB-CD1 4.15Å; L207-L235 HydrophobicContact CD1-CB 3.99Å; L207-L235 WeakPolarHBondContact CD1-O 3.31Å; L207-G236 WeakPolarHBondContact CD1-O 3.34Å; L207-I238 HydrophobicContact CD1-CD1 4.16Å; L207-I238 HydrophobicContact CD1-CG1 4.37Å; L207-I238 HydrophobicContact CD2-CD1 4.32Å; L207-L281 HydrophobicContact CD2-CD1 4.16Å; L207-L285 HydrophobicContact CD2-CD2 3.6Å; L207-L285 HydrophobicContact CD2-CG 4.43Å; L207-L288 HydrophobicContact CD2-CD1 4.13Å
208A94.4Very high91Very high1 Ų150.1 Ų50.11%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-92133.8177.900000111.2L193 V233 G236 I237 I238L193-A208 HydrophobicContact CD2-CB 4.15Å; A208-V233 HydrophobicContact CB-CG2 4.18Å; A208-G236 PolarHBondContact N-O 3Å; A208-I237 HydrophobicContact CB-CG1 4.1Å; A208-I237 HydrophobicContact CB-CG2 4.24Å; A208-I237 WeakPolarHBondContact O-CA 3.4Å; A208-I238 PolarHBondContact O-N 3.35Å
209V95.1Very high90.3Very high0 Ų049.7 Ų49.70%029%0.289CS..EExtended strand (participates in β ladder)trans-116.4123.3174.5175.80000109.2V41 L178 A179 V180 T181 T211 I238 V240 L281V41-V209 HydrophobicContact CG2-CG1 4.25Å; L178-V209 HydrophobicContact CD1-CG2 3.44Å; L178-V209 VanDerWaalsContact CD1-CG2 3.44Å; L178-V209 HydrophobicContact CG-CG2 4.02Å; A179-V209 PolarHBondContact O-N 2.89Å; V180-V209 HydrophobicContact CG2-CB 4.39Å; T181-V209 PolarHBondContact N-O 3.07Å; V209-T211 HydrophobicContact CG1-CG2 4.26Å; V209-I238 WeakPolarHBondContact CA-O 3.35Å; V209-V240 HydrophobicContact CG1-CG1 4.46Å; V209-V240 HydrophobicContact CG1-CG2 3.68Å; V209-L281 HydrophobicContact CG1-CD2 4.33Å; V209-L281 HydrophobicContact CG2-CD1 3.81Å; V209-L281 HydrophobicContact CG2-CD2 4.18Å
210V94Very high89.7Confident4 Ų451.1 Ų51.12%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-105.6106.5-178.2-179.50000108.9T181 A183 M187 L213 V225 L226 I237 I238 G239 V240T181-V210 CarbonylContact O-C 3.57Å; T181-V210 WeakPolarHBondContact O-CA 3.42Å; A183-V210 HydrophobicContact CB-CG1 3.68Å; M187-V210 HydrophobicContact SD-CG2 3.88Å; V210-L213 HydrophobicContact CG1-CD2 3.79Å; V210-V225 HydrophobicContact CG2-CG1 3.95Å; V210-L226 HydrophobicContact CB-CD2 4.44Å; V210-I237 HydrophobicContact CG2-CG2 3.7Å; V210-I238 PolarHBondContact N-O 2.93Å; V210-G239 CarbonylContact O-C 3.54Å; V210-G239 WeakPolarHBondContact O-CA 3.21Å; V210-V240 PolarHBondContact O-N 2.85Å
211T94Very high89.2Confident1 Ų155.2 Ų55.21%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-91.8170-179.771.70000111.4S36 V41 V180 T181 A183 V209 L213 V240S36-T211 WeakPolarHBondContact O-CG2 3.36Å; S36-T211 PolarHBondContact O-OG1 3.14Å; V41-T211 HydrophobicContact CG2-CG2 3.74Å; V180-T211 HydrophobicContact CG1-CG2 3.56Å; T181-T211 PolarHBondContact O-N 2.9Å; T181-T211 PolarHBondContact O-OG1 2.66Å; A183-T211 VanDerWaalsContact CB-O 3.23Å; A183-T211 WeakPolarHBondContact CB-O 3.09Å; A183-T211 PolarHBondContact N-O 3.19Å; V209-T211 HydrophobicContact CG1-CG2 4.26Å; T211-L213 VanDerWaalsContact C-N 3.32Å; T211-L213 PolarHBondContact O-N 2.88Å; T211-V240 WeakPolarHBondContact CA-O 3.38Å; T211-V240 HydrophobicContact CG2-CG2 3.88Å
212K92Very high88.8Confident58 Ų5850.6 Ų50.625%0.25229%0.29SS..  trans59.334.2171.1-52.7-177.7-165.8174.20114.8S35 A182 D214 L215 V240S35-K212 WeakPolarHBondContact O-CE 3.43Å; S35-K212 PolarHBondContact O-NZ 2.79Å; A182-K212 HydrophobicContact CB-CD 4.03Å; K212-D214 VanDerWaalsContact CA-OD1 3.24Å; K212-D214 WeakPolarHBondContact CA-OD1 3.49Å; K212-D214 PolarHBondContact O-N 3.1Å; K212-D214 VanDerWaalsContact O-N 3.13Å; K212-L215 HydrophobicContact CB-CB 4.33Å; K212-L215 HydrophobicContact CB-CD1 4.28Å; K212-L215 HydrophobicContact CD-CD1 4.15Å; K212-L215 HydrophobicContact CG-CD1 4.38Å; K212-L215 PolarHBondContact O-N 3.35Å; K212-V240 PolarHBondContact N-O 2.89Å
213L90.9Very high88.6Confident3 Ų348.8 Ų48.82%0.01628%0.28CS..G310 helixtrans-59.1-21.5177-65.9169.8000113.5A183 V210 T211 M216 A222 L226 V241 F264 L265 Y269A183-L213 HydrophobicContact CB-CD2 3.91Å; V210-L213 HydrophobicContact CG1-CD2 3.79Å; T211-L213 VanDerWaalsContact C-N 3.32Å; T211-L213 PolarHBondContact O-N 2.88Å; L213-M216 HydrophobicContact CD2-SD 4.4Å; L213-A222 HydrophobicContact CD2-CB 3.78Å; L213-L226 HydrophobicContact CD2-CD1 4.4Å; L213-V241 HydrophobicContact CB-CG2 3.97Å; L213-V241 HydrophobicContact CD1-CG2 4.36Å; L213-F264 HydrophobicContact CB-CE1 3.86Å; L213-F264 HydrophobicContact CB-CZ 4.3Å; L213-F264 WeakPolarHBondContact O-CZ 3.48Å; L213-L265 HydrophobicContact CD1-CD2 4.08Å; L213-Y269 HydrophobicContact CB-CE2 4.47Å
214D90Very high88.4Confident63 Ų6352.2 Ų52.234%0.33730%0.297SS..G310 helixtrans-75.2-23.3175.558.9-56.5000113.7K212 V241 F264K212-D214 VanDerWaalsContact CA-OD1 3.24Å; K212-D214 WeakPolarHBondContact CA-OD1 3.49Å; K212-D214 PolarHBondContact O-N 3.1Å; K212-D214 VanDerWaalsContact O-N 3.13Å; D214-V241 HydrophobicContact CB-CG1 4.17Å; D214-F264 HydrophobicContact CB-CE2 4.09Å; D214-F264 HydrophobicContact CB-CZ 4.28Å
215L88.3Confident88.2Confident98 Ų9845.1 Ų45.151%0.51327%0.273SS..G310 helixtrans-100.821.6-178.5-59.5178000113.2N184 K212N184-L215 WeakPolarHBondContact CB-O 3.34Å; K212-L215 HydrophobicContact CB-CB 4.33Å; K212-L215 HydrophobicContact CB-CD1 4.28Å; K212-L215 HydrophobicContact CD-CD1 4.15Å; K212-L215 HydrophobicContact CG-CD1 4.38Å; K212-L215 PolarHBondContact O-N 3.35Å
216M87.4Confident87.9Confident38 Ų3843.8 Ų43.819%0.18727%0.269CS..SBendtrans-77.6146.9173.1-64.5-171.173.100111.6A183 L213 D221 A222A183-M216 HydrophobicContact CB-CG 3.74Å; A183-M216 HydrophobicContact CB-SD 3.89Å; L213-M216 HydrophobicContact CD2-SD 4.4Å; M216-D221 VanDerWaalsContact CE-C 3.43Å; M216-A222 HydrophobicContact CE-CB 4.01Å; M216-A222 HydrophobicContact SD-CB 3.74Å
217D83.3Confident87.6Confident131 Ų13147.4 Ų47.470%0.70129%0.286SS*.PPolyproline II helixtrans-59.5138.4179.6-70.1-40.4000112G219 T220D217-G219 PolarHBondContact O-N 3.28Å; D217-G219 VanDerWaalsContact O-N 3.14Å; D217-T220 HydrophobicContact CB-CG2 4.16Å; D217-T220 PolarHBondContact N-OG1 2.95Å; D217-T220 WeakPolarHBondContact O-CB 3.35Å; D217-T220 PolarHBondContact O-N 2.79Å; D217-T220 PolarHBondContact O-OG1 2.82Å
218A76.6Confident87.1Confident113 Ų11348.7 Ų48.793%0.93430%0.3SS*.THydrogen-bonded Turntrans-61.1117.9-17800000111.3
219G76.9Confident86.7Confident84 Ų8457 Ų5787%0.86633%0.331SS*.THydrogen-bonded Turntrans106.1-11.8-173.900000114D217D217-G219 PolarHBondContact O-N 3.28Å; D217-G219 VanDerWaalsContact O-N 3.14Å
220T81.9Confident86Confident61 Ų6160.6 Ų60.637%0.37435%0.352SS..  trans-95160.817069.40000111.8D217 K268D217-T220 HydrophobicContact CB-CG2 4.16Å; D217-T220 PolarHBondContact N-OG1 2.95Å; D217-T220 WeakPolarHBondContact O-CB 3.35Å; D217-T220 PolarHBondContact O-N 2.79Å; D217-T220 PolarHBondContact O-OG1 2.82Å; T220-K268 PolarHBondContact O-NZ 3.03Å
221D82.8Confident85.4Confident93 Ų9360.7 Ų60.750%0.49735%0.353SS..  trans-146.9162.8168.676.848.6000111.1M216 M223 Y269M216-D221 VanDerWaalsContact CE-C 3.43Å; D221-M223 WeakPolarHBondContact OD1-CA 3.33Å; D221-M223 WeakPolarHBondContact OD1-CB 3.47Å; D221-M223 PolarHBondContact OD1-N 2.82Å; D221-Y269 HydrophobicContact CB-CE1 3.96Å
222A83.2Confident84.6Confident4 Ų465 Ų653%0.03338%0.381CS..  trans-98.622.2178.100000112.6L213 M216 V225 L226 Y269L213-A222 HydrophobicContact CD2-CB 3.78Å; M216-A222 HydrophobicContact CE-CB 4.01Å; M216-A222 HydrophobicContact SD-CB 3.74Å; A222-V225 HydrophobicContact CB-CB 4.3Å; A222-V225 HydrophobicContact CB-CG1 4.39Å; A222-V225 WeakPolarHBondContact O-CB 3.29Å; A222-V225 PolarHBondContact O-N 3.41Å; A222-L226 HydrophobicContact CB-CD1 4.16Å; A222-L226 HydrophobicContact CB-CG 4.25Å; A222-L226 WeakPolarHBondContact O-CB 3.4Å; A222-L226 VanDerWaalsContact O-CG 3.24Å; A222-L226 WeakPolarHBondContact O-CG 3.39Å; A222-L226 PolarHBondContact O-N 2.81Å; A222-Y269 PolarHBondContact N-OH 3.39Å
223M86Confident84.5Confident46 Ų4663.2 Ų63.223%0.22738%0.375CS..Hα-helixtrans-65.1-47.3-170.9-164.57213600111.9D221 V225 L226 M227 Y269 L272D221-M223 WeakPolarHBondContact OD1-CA 3.33Å; D221-M223 WeakPolarHBondContact OD1-CB 3.47Å; D221-M223 PolarHBondContact OD1-N 2.82Å; M223-V225 VanDerWaalsContact C-N 3.27Å; M223-V225 PolarHBondContact O-N 3.19Å; M223-L226 PolarHBondContact O-N 3.09Å; M223-M227 HydrophobicContact CE-CE 3.82Å; M223-M227 HydrophobicContact CG-CE 3.79Å; M223-M227 HydrophobicContact CG-SD 4.33Å; M223-M227 WeakPolarHBondContact O-CB 3.37Å; M223-M227 VanDerWaalsContact O-CG 3.28Å; M223-M227 WeakPolarHBondContact O-CG 3.45Å; M223-M227 PolarHBondContact O-N 2.87Å; M223-M227 HydrophobicContact SD-CE 3.83Å; M223-Y269 HydrophobicContact SD-CD1 4.1Å; M223-L272 HydrophobicContact SD-CD1 3.44Å; M223-L272 WeakPolarHBondContact SD-CD1 3.49Å; M223-L272 HydrophobicContact SD-CG 3.98Å
224D86.1Confident84.4Confident77 Ų7770.2 Ų70.241%0.41241%0.405SS..Hα-helixtrans-65.8-31.8177-74.2-33.7000112.7G228 R229 V230D224-G228 PolarHBondContact O-N 2.89Å; D224-R229 HydrophobicContact CB-CB 4.34Å; D224-R229 WeakPolarHBondContact O-CB 3.4Å; D224-R229 PolarHBondContact O-N 3.46Å; D224-R229 WeakPolarHBondContact OD1-CD 3.49Å; D224-R229 IonicContact OD1-CZ 2.64Å; D224-R229 IonicContact OD1-NE 2.72Å; D224-R229 IonicContact OD1-NH1 3.8Å; D224-R229 PolarHBondContact OD1-NH1 3.03Å; D224-V230 HydrophobicContact CB-CG2 3.97Å
225V86.4Confident84.5Confident25 Ų2569.5 Ų69.515%0.15240%0.401CS..Hα-helixtrans-65.1-55.8172.1154.90000110.3M187 V210 A222 M223 M227 G228 V230 I237M187-V225 HydrophobicContact CE-CB 4.19Å; M187-V225 HydrophobicContact CE-CG1 3.65Å; M187-V225 HydrophobicContact CE-CG2 3.89Å; M187-V225 HydrophobicContact SD-CG1 3.51Å; M187-V225 VanDerWaalsContact SD-CG1 3.51Å; M187-V225 HydrophobicContact SD-CG2 4.37Å; V210-V225 HydrophobicContact CG2-CG1 3.95Å; A222-V225 HydrophobicContact CB-CB 4.3Å; A222-V225 HydrophobicContact CB-CG1 4.39Å; A222-V225 WeakPolarHBondContact O-CB 3.29Å; A222-V225 PolarHBondContact O-N 3.41Å; M223-V225 VanDerWaalsContact C-N 3.27Å; M223-V225 PolarHBondContact O-N 3.19Å; V225-M227 VanDerWaalsContact C-N 3.27Å; V225-M227 PolarHBondContact O-N 2.94Å; V225-G228 PolarHBondContact O-N 2.79Å; V225-V230 HydrophobicContact CG2-CB 4.32Å; V225-V230 HydrophobicContact CG2-CG2 4.03Å; V225-I237 WeakPolarHBondContact O-CD1 3.43Å
226L88.1Confident84.7Confident16 Ų1666.1 Ų66.18%0.08439%0.39CS..Hα-helixtrans-67.6-25.6-177.3-66168.2000112.8V210 L213 A222 M223 G228 I237 L272V210-L226 HydrophobicContact CB-CD2 4.44Å; L213-L226 HydrophobicContact CD2-CD1 4.4Å; A222-L226 HydrophobicContact CB-CD1 4.16Å; A222-L226 HydrophobicContact CB-CG 4.25Å; A222-L226 WeakPolarHBondContact O-CB 3.4Å; A222-L226 VanDerWaalsContact O-CG 3.24Å; A222-L226 WeakPolarHBondContact O-CG 3.39Å; A222-L226 PolarHBondContact O-N 2.81Å; M223-L226 PolarHBondContact O-N 3.09Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-I237 HydrophobicContact CD2-CG2 4.12Å; L226-L272 HydrophobicContact CB-CD1 3.73Å; L226-L272 HydrophobicContact CD1-CD1 4.26Å
227M86.9Confident85Confident80 Ų8065.1 Ų65.139%0.39439%0.385SS..THydrogen-bonded Turntrans-79.9-2.8171.3-70.4-173-177.600114.1M223 V225 R229 L272M223-M227 HydrophobicContact CE-CE 3.82Å; M223-M227 HydrophobicContact CG-CE 3.79Å; M223-M227 HydrophobicContact CG-SD 4.33Å; M223-M227 WeakPolarHBondContact O-CB 3.37Å; M223-M227 VanDerWaalsContact O-CG 3.28Å; M223-M227 WeakPolarHBondContact O-CG 3.45Å; M223-M227 PolarHBondContact O-N 2.87Å; M223-M227 HydrophobicContact SD-CE 3.83Å; V225-M227 VanDerWaalsContact C-N 3.27Å; V225-M227 PolarHBondContact O-N 2.94Å; M227-R229 VanDerWaalsContact C-N 3.31Å; M227-R229 HydrophobicContact CB-CG 4.23Å; M227-R229 PolarHBondContact O-N 3.11Å; M227-L272 HydrophobicContact CE-CD1 4.5Å; M227-L272 HydrophobicContact CE-CD2 4.34Å; M227-L272 HydrophobicContact CG-CD1 4.41Å
228G84.3Confident85.6Confident27 Ų2759.1 Ų59.128%0.27835%0.353SS..THydrogen-bonded Turntrans72.518.7179.200000114.9D224 V225 L226D224-G228 PolarHBondContact O-N 2.89Å; V225-G228 PolarHBondContact O-N 2.79Å; L226-G228 VanDerWaalsContact C-N 3.28Å
229R85.7Confident86.4Confident175 Ų17553.7 Ų53.766%0.6631%0.309SS*.SBendtrans-75.9-35.2179.2-65.5170.1175.5177.5-1.4112.2D224 M227D224-R229 HydrophobicContact CB-CB 4.34Å; D224-R229 WeakPolarHBondContact O-CB 3.4Å; D224-R229 PolarHBondContact O-N 3.46Å; D224-R229 WeakPolarHBondContact OD1-CD 3.49Å; D224-R229 IonicContact OD1-CZ 2.64Å; D224-R229 IonicContact OD1-NE 2.72Å; D224-R229 IonicContact OD1-NH1 3.8Å; D224-R229 PolarHBondContact OD1-NH1 3.03Å; M227-R229 VanDerWaalsContact C-N 3.31Å; M227-R229 HydrophobicContact CB-CG 4.23Å; M227-R229 PolarHBondContact O-N 3.11Å
230V82Confident87.3Confident75 Ų7549.8 Ų49.846%0.45527%0.268SS..SBendtrans-82.3-44.4-178.8-172.20000111.7D224 V225D224-V230 HydrophobicContact CB-CG2 3.97Å; V225-V230 HydrophobicContact CG2-CB 4.32Å; V225-V230 HydrophobicContact CG2-CG2 4.03Å
231I80.6Confident87.8Confident6 Ų647.7 Ų47.73%0.03126%0.255CS..SBendtrans-133112.6-179.7-61-169.2000109.1M187 L193 V233 I237M187-I231 HydrophobicContact CB-CD1 4.47Å; M187-I231 HydrophobicContact CE-CB 3.78Å; M187-I231 HydrophobicContact CE-CD1 3.74Å; M187-I231 HydrophobicContact CE-CG1 3.75Å; M187-I231 HydrophobicContact CG-CD1 4.08Å; M187-I231 WeakPolarHBondContact O-CD1 3.44Å; L193-I231 HydrophobicContact CD1-CD1 3.69Å; L193-I231 HydrophobicContact CD1-CG2 4.39Å; I231-V233 HydrophobicContact CG2-CG1 4.33Å; I231-V233 PolarHBondContact O-N 2.85Å; I231-I237 WeakPolarHBondContact O-CD1 3.41Å
232P77.8Confident88.2Confident93 Ų9344.2 Ų44.260%0.60424%0.237SC*.  trans-78.3118.3173.530-32.2000110.4
233V88.8Confident88.6Confident20 Ų2044.8 Ų44.812%0.12124%0.238CC..  trans-125.8137.4166.3-77.50000108.6L193 T206 A208 I231 G236 I237L193-V233 HydrophobicContact CD2-CG1 4.46Å; T206-V233 HydrophobicContact CG2-CG1 4.32Å; A208-V233 HydrophobicContact CB-CG2 4.18Å; I231-V233 HydrophobicContact CG2-CG1 4.33Å; I231-V233 PolarHBondContact O-N 2.85Å; V233-G236 WeakPolarHBondContact CG2-O 3.41Å; V233-G236 PolarHBondContact O-N 2.83Å; V233-I237 HydrophobicContact CG2-CD1 3.97Å; V233-I237 HydrophobicContact CG2-CG1 3.46Å; V233-I237 VanDerWaalsContact CG2-CG1 3.46Å
234K89.8Confident88.6Confident150 Ų15044.5 Ų44.565%0.65224%0.24SC*.THydrogen-bonded Turntrans-74.9-29.3-168.1-56.2-64.9-177.7178.50113.2D202 G203 G236D202-K234 WeakPolarHBondContact O-CE 3.16Å; D202-K234 WeakPolarHBondContact O-CG 3.38Å; G203-K234 VanDerWaalsContact O-CB 3.25Å; G203-K234 WeakPolarHBondContact O-CB 3.39Å; G203-K234 WeakPolarHBondContact O-CG 3.46Å; G203-K234 PolarHBondContact O-N 2.98Å; K234-G236 VanDerWaalsContact C-N 3.25Å; K234-G236 PolarHBondContact O-N 2.79Å
235L91.3Very high88.5Confident47 Ų4746.6 Ų46.625%0.24625%0.248CC..THydrogen-bonded Turntrans-79.5-8.8175.9-54.5-173.3000113.1I176 R204 R205 T206 L207 L288I176-L235 HydrophobicContact CG2-CD1 4Å; R204-L235 WeakPolarHBondContact O-CD2 3.34Å; R205-L235 VanDerWaalsContact C-CD1 3.49Å; T206-L235 WeakPolarHBondContact O-CB 3.38Å; L207-L235 HydrophobicContact CB-CB 3.98Å; L207-L235 HydrophobicContact CB-CD1 4.15Å; L207-L235 HydrophobicContact CD1-CB 3.99Å; L207-L235 WeakPolarHBondContact CD1-O 3.31Å; L235-L288 HydrophobicContact CB-CD1 4.34Å; L235-L288 HydrophobicContact CD1-CD1 4.29Å; L235-L288 HydrophobicContact CD2-CD2 4Å
236G92.4Very high88.5Confident28 Ų2851.3 Ų51.329%0.28927%0.271SS..  trans94.4-172.8179.500000114.2L207 A208 V233 K234L207-G236 WeakPolarHBondContact CD1-O 3.34Å; A208-G236 PolarHBondContact N-O 3Å; V233-G236 WeakPolarHBondContact CG2-O 3.41Å; V233-G236 PolarHBondContact O-N 2.83Å; K234-G236 VanDerWaalsContact C-N 3.25Å; K234-G236 PolarHBondContact O-N 2.79Å
237I94Very high88.5Confident16 Ų1652.4 Ų52.48%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-132.5129.4-176.2-54-175.4000107.5M187 A208 V210 V225 L226 I231 V233M187-I237 HydrophobicContact CE-CD1 4.24Å; A208-I237 HydrophobicContact CB-CG1 4.1Å; A208-I237 HydrophobicContact CB-CG2 4.24Å; A208-I237 WeakPolarHBondContact O-CA 3.4Å; V210-I237 HydrophobicContact CG2-CG2 3.7Å; V225-I237 WeakPolarHBondContact O-CD1 3.43Å; L226-I237 HydrophobicContact CD2-CG2 4.12Å; I231-I237 WeakPolarHBondContact O-CD1 3.41Å; V233-I237 HydrophobicContact CG2-CD1 3.97Å; V233-I237 HydrophobicContact CG2-CG1 3.46Å; V233-I237 VanDerWaalsContact CG2-CG1 3.46Å
238I95.3Very high88.3Confident5 Ų550 Ų503%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-124.2120.7-177.7-58.5175.7000109.4L207 A208 V209 V210 V240 Y280 L281 T284L207-I238 HydrophobicContact CD1-CD1 4.16Å; L207-I238 HydrophobicContact CD1-CG1 4.37Å; L207-I238 HydrophobicContact CD2-CD1 4.32Å; A208-I238 PolarHBondContact O-N 3.35Å; V209-I238 WeakPolarHBondContact CA-O 3.35Å; V210-I238 PolarHBondContact N-O 2.93Å; I238-V240 HydrophobicContact CG2-CG1 4.41Å; I238-Y280 HydrophobicContact CD1-CD1 3.91Å; I238-Y280 HydrophobicContact CD1-CE1 3.93Å; I238-Y280 HydrophobicContact CG1-CD1 4.23Å; I238-Y280 HydrophobicContact CG1-CE1 4.19Å; I238-Y280 HydrophobicContact CG2-CD1 4.24Å; I238-L281 HydrophobicContact CB-CD1 4.33Å; I238-L281 HydrophobicContact CD1-CD1 3.81Å; I238-L281 HydrophobicContact CG2-CB 4.09Å; I238-L281 HydrophobicContact CG2-CD1 4.31Å; I238-T284 HydrophobicContact CD1-CG2 3.98Å
239G94.4Very high88.4Confident0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-84.6137.6174.800000112.2V210 N276 G277V210-G239 CarbonylContact O-C 3.54Å; V210-G239 WeakPolarHBondContact O-CA 3.21Å; G239-N276 PolarHBondContact N-OD1 3.19Å; G239-N276 WeakPolarHBondContact O-CB 3.3Å; G239-G277 PolarHBondContact O-N 3.3Å
240V94.8Very high88.6Confident1 Ų151.6 Ų51.61%0.00628%0.281CS..  trans-137.7147.4178.4-63.70000111.8V41 V209 V210 T211 K212 I238 E261 L281V41-V240 HydrophobicContact CG2-CG2 4.1Å; V209-V240 HydrophobicContact CG1-CG1 4.46Å; V209-V240 HydrophobicContact CG1-CG2 3.68Å; V210-V240 PolarHBondContact O-N 2.85Å; T211-V240 WeakPolarHBondContact CA-O 3.38Å; T211-V240 HydrophobicContact CG2-CG2 3.88Å; K212-V240 PolarHBondContact N-O 2.89Å; I238-V240 HydrophobicContact CG2-CG1 4.41Å; V240-E261 WeakPolarHBondContact CA-OE1 3.34Å; V240-L281 HydrophobicContact CG1-CD2 4.05Å
241V93.9Very high88.7Confident18 Ų1856.9 Ų56.911%0.10930%0.298CS..  trans-118.9121.3174.1178.60000108.3L213 D214 E261 F264L213-V241 HydrophobicContact CB-CG2 3.97Å; L213-V241 HydrophobicContact CD1-CG2 4.36Å; D214-V241 HydrophobicContact CB-CG1 4.17Å; V241-E261 HydrophobicContact CB-CB 4.18Å; V241-E261 HydrophobicContact CB-CG 4.06Å; V241-E261 PolarHBondContact N-OE1 3.43Å; V241-F264 HydrophobicContact CG2-CD1 3.65Å; V241-F264 HydrophobicContact CG2-CE1 3.88Å; V241-F264 HydrophobicContact CG2-CG 4.4Å
242N91.2Very high89.1Confident20 Ų2059 Ų5911%0.10731%0.306CS..  trans-112.2167-177.5-75.8-53.9000110.4S40 S44 S244S40-N242 PolarHBondContact O-OD1 2.96Å; S44-N242 WeakPolarHBondContact CB-OD1 3.48Å; S44-N242 PolarHBondContact OG-OD1 3.43Å; N242-S244 PolarHBondContact O-N 3.15Å
243R89.8Confident89.6Confident16 Ų1656.9 Ų56.96%0.0629%0.294CS..  trans-56.4132.8173.6-70.4175.1-69.1157.310.3111.4D49 D247 I248 K252 A257D49-R243 VanDerWaalsContact CG-NH2 3.25Å; D49-R243 IonicContact OD1-CZ 3.82Å; D49-R243 IonicContact OD1-NH1 2.67Å; D49-R243 PolarHBondContact OD1-NH1 3.44Å; D49-R243 IonicContact OD1-NH2 3.57Å; D49-R243 PolarHBondContact OD1-NH2 3.45Å; D49-R243 IonicContact OD2-CZ 2.83Å; D49-R243 IonicContact OD2-NH1 3.56Å; D49-R243 PolarHBondContact OD2-NH1 3.43Å; D49-R243 IonicContact OD2-NH2 2.61Å; D49-R243 PolarHBondContact OD2-NH2 3.44Å; D49-R243 VanDerWaalsContact OD2-NH2 3.16Å; R243-D247 HydrophobicContact CB-CB 3.8Å; R243-D247 HydrophobicContact CG-CB 4.09Å; R243-I248 HydrophobicContact CB-CG1 4.04Å; R243-K252 WeakPolarHBondContact CD-O 3.44Å; R243-K252 PolarHBondContact NH1-O 3.25Å; R243-A257 HydrophobicContact CG-CB 3.42Å; R243-A257 VanDerWaalsContact CG-CB 3.42Å
244S87.3Confident89.4Confident39 Ų3956.2 Ų56.227%0.27329%0.29SS..  trans-72168.4169.873.40000111.1N242 L246 D247 I248N242-S244 PolarHBondContact O-N 3.15Å; S244-L246 PolarHBondContact O-N 3.49Å; S244-L246 PolarHBondContact OG-N 3.17Å; S244-D247 VanDerWaalsContact CB-OD2 3.26Å; S244-D247 WeakPolarHBondContact CB-OD2 3.48Å; S244-D247 PolarHBondContact N-OD2 2.79Å; S244-D247 WeakPolarHBondContact O-CB 3.43Å; S244-D247 PolarHBondContact O-N 2.86Å; S244-D247 VanDerWaalsContact O-N 3.13Å; S244-D247 PolarHBondContact OG-N 2.68Å; S244-D247 PolarHBondContact OG-OD2 3.29Å; S244-I248 WeakPolarHBondContact O-CD1 3.12Å; S244-I248 WeakPolarHBondContact O-CG1 3.44Å; S244-I248 PolarHBondContact O-N 2.88Å
245Q83.8Confident89.2Confident122 Ų12252.2 Ų52.257%0.5729%0.285SS*.Hα-helixtrans-60.2-30.6174.9-168.359.950.800112.4N249Q245-N249 PolarHBondContact NE2-OD1 2.85Å; Q245-N249 WeakPolarHBondContact O-CB 3.44Å; Q245-N249 PolarHBondContact O-N 3.35Å; Q245-N249 PolarHBondContact O-OD1 3.49Å; Q245-N249 VanDerWaalsContact O-OD1 3.09Å
246L85.9Confident89.1Confident124 Ų12452.4 Ų52.465%0.64929%0.286SS*.Hα-helixtrans-69.8-43174.5-70.3167.4000111.5S244 I248 N249 N250S244-L246 PolarHBondContact O-N 3.49Å; S244-L246 PolarHBondContact OG-N 3.17Å; L246-I248 VanDerWaalsContact C-N 3.29Å; L246-I248 PolarHBondContact O-N 3.25Å; L246-N249 PolarHBondContact O-N 2.86Å; L246-N250 VanDerWaalsContact O-CB 3.32Å; L246-N250 WeakPolarHBondContact O-CB 3.43Å; L246-N250 PolarHBondContact O-N 2.87Å; L246-N250 PolarHBondContact O-ND2 3.36Å
247D87.7Confident89Confident39 Ų3951.5 Ų51.521%0.20928%0.276CS..Hα-helixtrans-60.7-39174.7-64.4-71000111.8R243 S244 N250 K251 K252R243-D247 HydrophobicContact CB-CB 3.8Å; R243-D247 HydrophobicContact CG-CB 4.09Å; S244-D247 VanDerWaalsContact CB-OD2 3.26Å; S244-D247 WeakPolarHBondContact CB-OD2 3.48Å; S244-D247 PolarHBondContact N-OD2 2.79Å; S244-D247 WeakPolarHBondContact O-CB 3.43Å; S244-D247 PolarHBondContact O-N 2.86Å; S244-D247 VanDerWaalsContact O-N 3.13Å; S244-D247 PolarHBondContact OG-N 2.68Å; S244-D247 PolarHBondContact OG-OD2 3.29Å; D247-N250 CarbonylContact O-C 3.57Å; D247-N250 PolarHBondContact O-N 3.05Å; D247-K251 PolarHBondContact O-N 2.91Å; D247-K252 HydrophobicContact CB-CB 4.02Å; D247-K252 HydrophobicContact CB-CD 3.78Å; D247-K252 WeakPolarHBondContact O-CB 3.17Å; D247-K252 PolarHBondContact O-N 2.87Å; D247-K252 WeakPolarHBondContact OD1-CD 3.47Å; D247-K252 IonicContact OD1-NZ 2.71Å; D247-K252 PolarHBondContact OD1-NZ 2.92Å
248I84.2Confident88.8Confident29 Ų2952 Ų5215%0.14928%0.279CS..Hα-helixtrans-66.2-48.5176.9-66.9155.6000110.6R243 S244 L246 N250 K251R243-I248 HydrophobicContact CB-CG1 4.04Å; S244-I248 WeakPolarHBondContact O-CD1 3.12Å; S244-I248 WeakPolarHBondContact O-CG1 3.44Å; S244-I248 PolarHBondContact O-N 2.88Å; L246-I248 VanDerWaalsContact C-N 3.29Å; L246-I248 PolarHBondContact O-N 3.25Å; I248-N250 PolarHBondContact O-N 3.43Å; I248-K251 PolarHBondContact O-N 3.31Å
249N85.3Confident88.5Confident107 Ų10760 Ų6057%0.57231%0.308SS*.Hα-helixtrans-60.4-34.7176.8-67.11.2000111.7Q245 L246 K251Q245-N249 PolarHBondContact NE2-OD1 2.85Å; Q245-N249 WeakPolarHBondContact O-CB 3.44Å; Q245-N249 PolarHBondContact O-N 3.35Å; Q245-N249 PolarHBondContact O-OD1 3.49Å; Q245-N249 VanDerWaalsContact O-OD1 3.09Å; L246-N249 PolarHBondContact O-N 2.86Å; N249-K251 PolarHBondContact O-N 2.98Å
250N89.6Confident88.4Confident129 Ų12963.9 Ų63.969%0.6933%0.329SS*.THydrogen-bonded Turntrans-81.55.7175.4-66.3-19.5000113.8L246 D247 I248 K252L246-N250 VanDerWaalsContact O-CB 3.32Å; L246-N250 WeakPolarHBondContact O-CB 3.43Å; L246-N250 PolarHBondContact O-N 2.87Å; L246-N250 PolarHBondContact O-ND2 3.36Å; D247-N250 CarbonylContact O-C 3.57Å; D247-N250 PolarHBondContact O-N 3.05Å; I248-N250 PolarHBondContact O-N 3.43Å; N250-K252 VanDerWaalsContact C-N 3.26Å; N250-K252 PolarHBondContact O-N 3.38Å
251K85.4Confident88.4Confident185 Ų18564.1 Ų64.180%0.80433%0.33SS*.THydrogen-bonded Turntrans51.936.6-178.4-60.1-167175.6-165.50114.7D247 I248 N249 S253D247-K251 PolarHBondContact O-N 2.91Å; I248-K251 PolarHBondContact O-N 3.31Å; N249-K251 PolarHBondContact O-N 2.98Å; K251-S253 PolarHBondContact O-N 3.3Å
252K88.3Confident88.3Confident50 Ų5069.9 Ų69.922%0.21735%0.351CS..  trans-60.5131.3175.1-173.7178-172.8177.80110.7R243 D247 N250 D256 D260R243-K252 WeakPolarHBondContact CD-O 3.44Å; R243-K252 PolarHBondContact NH1-O 3.25Å; D247-K252 HydrophobicContact CB-CB 4.02Å; D247-K252 HydrophobicContact CB-CD 3.78Å; D247-K252 WeakPolarHBondContact O-CB 3.17Å; D247-K252 PolarHBondContact O-N 2.87Å; D247-K252 WeakPolarHBondContact OD1-CD 3.47Å; D247-K252 IonicContact OD1-NZ 2.71Å; D247-K252 PolarHBondContact OD1-NZ 2.92Å; N250-K252 VanDerWaalsContact C-N 3.26Å; N250-K252 PolarHBondContact O-N 3.38Å; K252-D256 HydrophobicContact CG-CB 4.06Å; K252-D260 WeakPolarHBondContact CE-OD2 3.5Å; K252-D260 IonicContact NZ-OD2 2.65Å; K252-D260 PolarHBondContact NZ-OD2 2.9Å
253S87.6Confident88.4Confident50 Ų5071.7 Ų71.735%0.3537%0.369SS..  trans-68.2153.9-178.384.40000111.9K251 A255 D256 A257K251-S253 PolarHBondContact O-N 3.3Å; S253-A255 VanDerWaalsContact C-N 3.27Å; S253-A255 PolarHBondContact O-N 3.29Å; S253-D256 WeakPolarHBondContact CB-OD2 3.31Å; S253-D256 PolarHBondContact O-N 2.74Å; S253-D256 PolarHBondContact OG-N 3.44Å; S253-D256 VanDerWaalsContact OG-N 3.09Å; S253-D256 PolarHBondContact OG-OD2 3.1Å; S253-A257 PolarHBondContact O-N 3.45Å; S253-A257 VanDerWaalsContact O-N 3.09Å
254V85.4Confident88.6Confident6 Ų673.4 Ų73.44%0.03638%0.377CS..Hα-helixtrans-64.5-34.8174.8-177.80000110.9G47 D256 A257 I258G47-V254 WeakPolarHBondContact O-CB 3.35Å; G47-V254 WeakPolarHBondContact O-CG2 3.39Å; V254-D256 VanDerWaalsContact C-N 3.34Å; V254-D256 PolarHBondContact O-N 2.7Å; V254-A257 PolarHBondContact O-N 2.97Å; V254-I258 HydrophobicContact CG1-CD1 3.87Å; V254-I258 HydrophobicContact CG1-CG1 4.36Å; V254-I258 WeakPolarHBondContact O-CG1 3.37Å; V254-I258 PolarHBondContact O-N 2.99Å
255A85.4Confident88.9Confident66 Ų6671.7 Ų71.755%0.54536%0.364SS..Hα-helixtrans-61.6-40.917600000112.2S253 I258 R259S253-A255 VanDerWaalsContact C-N 3.27Å; S253-A255 PolarHBondContact O-N 3.29Å; A255-I258 PolarHBondContact O-N 3.42Å; A255-R259 WeakPolarHBondContact O-CG 3.23Å; A255-R259 PolarHBondContact O-N 3.49Å; A255-R259 VanDerWaalsContact O-N 3.16Å
256D90Very high89.3Confident51 Ų5169 Ų6927%0.27335%0.352SS..Hα-helixtrans-67-42.9174.9-59.4-40.8000111.6K252 S253 V254 I258 R259 D260K252-D256 HydrophobicContact CG-CB 4.06Å; S253-D256 WeakPolarHBondContact CB-OD2 3.31Å; S253-D256 PolarHBondContact O-N 2.74Å; S253-D256 PolarHBondContact OG-N 3.44Å; S253-D256 VanDerWaalsContact OG-N 3.09Å; S253-D256 PolarHBondContact OG-OD2 3.1Å; V254-D256 VanDerWaalsContact C-N 3.34Å; V254-D256 PolarHBondContact O-N 2.7Å; D256-I258 VanDerWaalsContact C-N 3.31Å; D256-I258 PolarHBondContact O-N 3.43Å; D256-R259 WeakPolarHBondContact O-CB 3.35Å; D256-R259 PolarHBondContact O-N 3.49Å; D256-R259 VanDerWaalsContact O-N 3.1Å; D256-R259 IonicContact OD1-CZ 2.74Å; D256-R259 IonicContact OD1-NE 3.58Å; D256-R259 IonicContact OD1-NH2 2.7Å; D256-R259 PolarHBondContact OD1-NH2 3.1Å; D256-D260 PolarHBondContact O-N 2.94Å
257A89.8Confident89.5Confident8 Ų872.1 Ų72.17%0.06636%0.36CS..Hα-helixtrans-59.6-39.6176.300000112.8R243 S253 V254 R259 D260 E261R243-A257 HydrophobicContact CG-CB 3.42Å; R243-A257 VanDerWaalsContact CG-CB 3.42Å; S253-A257 PolarHBondContact O-N 3.45Å; S253-A257 VanDerWaalsContact O-N 3.09Å; V254-A257 PolarHBondContact O-N 2.97Å; A257-R259 VanDerWaalsContact C-N 3.34Å; A257-D260 PolarHBondContact O-N 2.95Å; A257-E261 WeakPolarHBondContact O-CB 3.38Å; A257-E261 PolarHBondContact O-N 3.03Å
258I88.7Confident89.6Confident28 Ų2874.9 Ų74.914%0.14437%0.37CS..Hα-helixtrans-69.8-30.9176.2-65.4165.3000111.7V254 A255 D256 Y262 T278 K279V254-I258 HydrophobicContact CG1-CD1 3.87Å; V254-I258 HydrophobicContact CG1-CG1 4.36Å; V254-I258 WeakPolarHBondContact O-CG1 3.37Å; V254-I258 PolarHBondContact O-N 2.99Å; A255-I258 PolarHBondContact O-N 3.42Å; D256-I258 VanDerWaalsContact C-N 3.31Å; D256-I258 PolarHBondContact O-N 3.43Å; I258-Y262 PolarHBondContact O-N 3.39Å; I258-Y262 VanDerWaalsContact O-N 3.14Å; I258-T278 HydrophobicContact CD1-CG2 4.42Å; I258-K279 HydrophobicContact CG2-CD 4.12Å; I258-K279 HydrophobicContact CG2-CG 4.16Å
259R90.4Very high89.9Confident171 Ų17173.7 Ų73.765%0.64536%0.364SS*.Hα-helixtrans-67-44.1171.7-70.6-167.6-69.3169.1-3.1111.4A255 D256 A257 Y262 A263A255-R259 WeakPolarHBondContact O-CG 3.23Å; A255-R259 PolarHBondContact O-N 3.49Å; A255-R259 VanDerWaalsContact O-N 3.16Å; D256-R259 WeakPolarHBondContact O-CB 3.35Å; D256-R259 PolarHBondContact O-N 3.49Å; D256-R259 VanDerWaalsContact O-N 3.1Å; D256-R259 IonicContact OD1-CZ 2.74Å; D256-R259 IonicContact OD1-NE 3.58Å; D256-R259 IonicContact OD1-NH2 2.7Å; D256-R259 PolarHBondContact OD1-NH2 3.1Å; A257-R259 VanDerWaalsContact C-N 3.34Å; R259-Y262 PolarHBondContact O-N 3.22Å; R259-A263 PolarHBondContact O-N 2.65Å
260D92.4Very high90.1Very high82 Ų8272.2 Ų72.244%0.43936%0.36SS..Hα-helixtrans-68.9-38.8178.5-71.2-7.2000112.2K252 D256 A257 Y262 A263 F264K252-D260 WeakPolarHBondContact CE-OD2 3.5Å; K252-D260 IonicContact NZ-OD2 2.65Å; K252-D260 PolarHBondContact NZ-OD2 2.9Å; D256-D260 PolarHBondContact O-N 2.94Å; A257-D260 PolarHBondContact O-N 2.95Å; D260-Y262 VanDerWaalsContact C-N 3.34Å; D260-Y262 PolarHBondContact O-N 2.82Å; D260-A263 PolarHBondContact O-N 2.98Å; D260-F264 WeakPolarHBondContact O-CB 3.31Å; D260-F264 PolarHBondContact O-N 3.38Å
261E94.4Very high90.1Very high6 Ų670.1 Ų70.13%0.02836%0.356CS..Hα-helixtrans-55.1-49.2170.6173.2-179.9-121.300110.8V240 V241 A257 A263 F264 L265 G277 T278V240-E261 WeakPolarHBondContact CA-OE1 3.34Å; V241-E261 HydrophobicContact CB-CB 4.18Å; V241-E261 HydrophobicContact CB-CG 4.06Å; V241-E261 PolarHBondContact N-OE1 3.43Å; A257-E261 WeakPolarHBondContact O-CB 3.38Å; A257-E261 PolarHBondContact O-N 3.03Å; E261-A263 PolarHBondContact O-N 2.85Å; E261-F264 PolarHBondContact O-N 2.89Å; E261-L265 HydrophobicContact CG-CD1 3.84Å; E261-L265 HydrophobicContact CG-CG 4.4Å; E261-L265 WeakPolarHBondContact O-CB 3.26Å; E261-L265 VanDerWaalsContact O-CG 3.29Å; E261-L265 WeakPolarHBondContact O-CG 3.48Å; E261-L265 PolarHBondContact O-N 2.89Å; E261-G277 VanDerWaalsContact CD-CA 3.44Å; E261-G277 WeakPolarHBondContact OE1-CA 3.43Å; E261-G277 WeakPolarHBondContact OE2-CA 3.41Å; E261-T278 VanDerWaalsContact CD-N 3.34Å; E261-T278 PolarHBondContact OE1-N 3Å; E261-T278 PolarHBondContact OE1-OG1 3.36Å; E261-T278 WeakPolarHBondContact OE2-CB 3.13Å; E261-T278 PolarHBondContact OE2-N 3.22Å; E261-T278 PolarHBondContact OE2-OG1 3.11Å; E261-T278 VanDerWaalsContact OE2-OG1 3.09Å
262Y91.8Very high90.3Very high140 Ų14062.3 Ų62.355%0.54932%0.322SS..Hα-helixtrans-62.5-44178.7-177.1-100.1000112I258 R259 D260 L265 Q266I258-Y262 PolarHBondContact O-N 3.39Å; I258-Y262 VanDerWaalsContact O-N 3.14Å; R259-Y262 PolarHBondContact O-N 3.22Å; D260-Y262 VanDerWaalsContact C-N 3.34Å; D260-Y262 PolarHBondContact O-N 2.82Å; Y262-L265 PolarHBondContact O-N 3.32Å; Y262-Q266 HydrophobicContact CD1-CG 4.22Å; Y262-Q266 HydrophobicContact CD2-CG 4.46Å; Y262-Q266 HydrophobicContact CE1-CG 3.84Å; Y262-Q266 HydrophobicContact CE2-CG 4.11Å; Y262-Q266 WeakPolarHBondContact O-CB 3.22Å; Y262-Q266 VanDerWaalsContact O-CG 3.26Å; Y262-Q266 WeakPolarHBondContact O-CG 3.47Å; Y262-Q266 PolarHBondContact O-N 3.47Å; Y262-Q266 PolarHBondContact OH-NE2 3.48Å; Y262-Q266 VanDerWaalsContact OH-NE2 3.13Å
263A93.7Very high90.4Very high57 Ų5760.1 Ų60.147%0.47131%0.314SS..Hα-helixtrans-63.5-40.9176.800000112.5R259 D260 E261 K267R259-A263 PolarHBondContact O-N 2.65Å; D260-A263 PolarHBondContact O-N 2.98Å; E261-A263 PolarHBondContact O-N 2.85Å; A263-K267 WeakPolarHBondContact O-CB 3.36Å; A263-K267 PolarHBondContact O-N 2.88Å; A263-K267 VanDerWaalsContact O-N 3.13Å
264F93.4Very high90.5Very high53 Ų5363.7 Ų63.723%0.23233%0.329CS..Hα-helixtrans-63.3-50.1175.1174.3-90.5000111.6L213 D214 V241 D260 E261 Q266 K267 K268 Y269L213-F264 HydrophobicContact CB-CE1 3.86Å; L213-F264 HydrophobicContact CB-CZ 4.3Å; L213-F264 WeakPolarHBondContact O-CZ 3.48Å; D214-F264 HydrophobicContact CB-CE2 4.09Å; D214-F264 HydrophobicContact CB-CZ 4.28Å; V241-F264 HydrophobicContact CG2-CD1 3.65Å; V241-F264 HydrophobicContact CG2-CE1 3.88Å; V241-F264 HydrophobicContact CG2-CG 4.4Å; D260-F264 WeakPolarHBondContact O-CB 3.31Å; D260-F264 PolarHBondContact O-N 3.38Å; E261-F264 PolarHBondContact O-N 2.89Å; F264-Q266 PolarHBondContact O-N 2.78Å; F264-K267 PolarHBondContact O-N 3.34Å; F264-K267 VanDerWaalsContact O-N 3.14Å; F264-K268 HydrophobicContact CE1-CB 4.26Å; F264-K268 HydrophobicContact CE1-CG 4.42Å; F264-K268 HydrophobicContact CE2-CB 4.3Å; F264-K268 HydrophobicContact CE2-CG 4.46Å; F264-K268 HydrophobicContact CZ-CB 4.07Å; F264-K268 HydrophobicContact CZ-CG 3.98Å; F264-K268 WeakPolarHBondContact O-CB 3.25Å; F264-K268 PolarHBondContact O-N 3.35Å; F264-Y269 HydrophobicContact CE1-CD2 4.25Å; F264-Y269 HydrophobicContact CE1-CE2 4.06Å; F264-Y269 HydrophobicContact CZ-CE2 4.4Å
265L93.1Very high90.7Very high2 Ų271.6 Ų71.61%0.0136%0.358CS..Hα-helixtrans-62.3-42.9-179.1-72.1173.4000111.7L213 E261 Y262 K267 Y269 A273 N276L213-L265 HydrophobicContact CD1-CD2 4.08Å; E261-L265 HydrophobicContact CG-CD1 3.84Å; E261-L265 HydrophobicContact CG-CG 4.4Å; E261-L265 WeakPolarHBondContact O-CB 3.26Å; E261-L265 VanDerWaalsContact O-CG 3.29Å; E261-L265 WeakPolarHBondContact O-CG 3.48Å; E261-L265 PolarHBondContact O-N 2.89Å; Y262-L265 PolarHBondContact O-N 3.32Å; L265-K267 VanDerWaalsContact C-N 3.28Å; L265-K267 PolarHBondContact O-N 3.41Å; L265-Y269 HydrophobicContact CD2-CD2 4.28Å; L265-Y269 CarbonylContact O-C 3.58Å; L265-Y269 WeakPolarHBondContact O-CA 3.3Å; L265-Y269 PolarHBondContact O-N 3.32Å; L265-A273 HydrophobicContact CB-CB 4.07Å; L265-N276 HydrophobicContact CD1-CB 3.84Å; L265-N276 HydrophobicContact CD2-CB 3.99Å
266Q92.4Very high91.1Very high66 Ų6669 Ų6931%0.30834%0.335SS..Hα-helixtrans-63-32.7175.2-73-67.5-10.700112.9Y262 F264 P270 A273Y262-Q266 HydrophobicContact CD1-CG 4.22Å; Y262-Q266 HydrophobicContact CD2-CG 4.46Å; Y262-Q266 HydrophobicContact CE1-CG 3.84Å; Y262-Q266 HydrophobicContact CE2-CG 4.11Å; Y262-Q266 WeakPolarHBondContact O-CB 3.22Å; Y262-Q266 VanDerWaalsContact O-CG 3.26Å; Y262-Q266 WeakPolarHBondContact O-CG 3.47Å; Y262-Q266 PolarHBondContact O-N 3.47Å; Y262-Q266 PolarHBondContact OH-NE2 3.48Å; Y262-Q266 VanDerWaalsContact OH-NE2 3.13Å; F264-Q266 PolarHBondContact O-N 2.78Å; Q266-P270 WeakPolarHBondContact O-CG 3.4Å; Q266-A273 HydrophobicContact CG-CB 4.22Å
267K91.3Very high91.3Very high189 Ų18966.7 Ų66.782%0.82232%0.324SS*.Hα-helixtrans-82.2-42.7179.7-175.3178.7178-177.90113.5A263 F264 L265A263-K267 WeakPolarHBondContact O-CB 3.36Å; A263-K267 PolarHBondContact O-N 2.88Å; A263-K267 VanDerWaalsContact O-N 3.13Å; F264-K267 PolarHBondContact O-N 3.34Å; F264-K267 VanDerWaalsContact O-N 3.14Å; L265-K267 VanDerWaalsContact C-N 3.28Å; L265-K267 PolarHBondContact O-N 3.41Å
268K88.4Confident91.3Very high98 Ų9866.7 Ų66.743%0.42632%0.323SS..Hα-helixtrans-96.4-31.5-171.8-176.271.2178.7-177.90113T220 F264T220-K268 PolarHBondContact O-NZ 3.03Å; F264-K268 HydrophobicContact CE1-CB 4.26Å; F264-K268 HydrophobicContact CE1-CG 4.42Å; F264-K268 HydrophobicContact CE2-CB 4.3Å; F264-K268 HydrophobicContact CE2-CG 4.46Å; F264-K268 HydrophobicContact CZ-CB 4.07Å; F264-K268 HydrophobicContact CZ-CG 3.98Å; F264-K268 WeakPolarHBondContact O-CB 3.25Å; F264-K268 PolarHBondContact O-N 3.35Å
269Y91Very high91.3Very high3 Ų372.4 Ų72.41%0.01235%0.346CS..  trans-134.858.2-176.9-60-75.2000112.6L213 D221 A222 M223 F264 L265 S271 L272 A273L213-Y269 HydrophobicContact CB-CE2 4.47Å; D221-Y269 HydrophobicContact CB-CE1 3.96Å; A222-Y269 PolarHBondContact N-OH 3.39Å; M223-Y269 HydrophobicContact SD-CD1 4.1Å; F264-Y269 HydrophobicContact CE1-CD2 4.25Å; F264-Y269 HydrophobicContact CE1-CE2 4.06Å; F264-Y269 HydrophobicContact CZ-CE2 4.4Å; L265-Y269 HydrophobicContact CD2-CD2 4.28Å; L265-Y269 CarbonylContact O-C 3.58Å; L265-Y269 WeakPolarHBondContact O-CA 3.3Å; L265-Y269 PolarHBondContact O-N 3.32Å; Y269-S271 VanDerWaalsContact C-N 3.34Å; Y269-S271 PolarHBondContact O-N 3.17Å; Y269-L272 CarbonylContact O-C 3.58Å; Y269-L272 PolarHBondContact O-N 3.23Å; Y269-A273 PolarHBondContact O-N 2.82Å
270P89.9Confident91.4Very high77 Ų7767.9 Ų67.950%0.533%0.33SS..THydrogen-bonded Turntrans-57.5-40.8-165.6-19.728.1000114.2Q266 L272Q266-P270 WeakPolarHBondContact O-CG 3.4Å; P270-L272 VanDerWaalsContact C-N 3.31Å; P270-L272 PolarHBondContact O-N 3.49Å
271S89.9Confident91.3Very high84 Ų8464 Ų6459%0.58731%0.309SS*.THydrogen-bonded Turntrans-72.6-20.9-179.355.10000114.1Y269Y269-S271 VanDerWaalsContact C-N 3.34Å; Y269-S271 PolarHBondContact O-N 3.17Å
272L89.9Confident91Very high21 Ų2164.5 Ų64.511%0.1131%0.314CS..THydrogen-bonded Turntrans-105.4-6.6178.7-58.4-175.2000113.2M223 L226 M227 Y269 P270 N274 R275 N276M223-L272 HydrophobicContact SD-CD1 3.44Å; M223-L272 WeakPolarHBondContact SD-CD1 3.49Å; M223-L272 HydrophobicContact SD-CG 3.98Å; L226-L272 HydrophobicContact CB-CD1 3.73Å; L226-L272 HydrophobicContact CD1-CD1 4.26Å; M227-L272 HydrophobicContact CE-CD1 4.5Å; M227-L272 HydrophobicContact CE-CD2 4.34Å; M227-L272 HydrophobicContact CG-CD1 4.41Å; Y269-L272 CarbonylContact O-C 3.58Å; Y269-L272 PolarHBondContact O-N 3.23Å; P270-L272 VanDerWaalsContact C-N 3.31Å; P270-L272 PolarHBondContact O-N 3.49Å; L272-N274 PolarHBondContact O-N 2.88Å; L272-N274 VanDerWaalsContact O-N 3.14Å; L272-R275 CarbonylContact O-C 3.55Å; L272-R275 WeakPolarHBondContact O-CA 3.17Å; L272-R275 PolarHBondContact O-N 3.3Å; L272-N276 WeakPolarHBondContact CB-ND2 3.4Å; L272-N276 PolarHBondContact O-N 2.8Å; L272-N276 PolarHBondContact O-ND2 3.47Å
273A89.3Confident90.8Very high5 Ų566.8 Ų66.84%0.04132%0.322CS..G310 helixtrans-55.2-34.6-177.900000113.1L265 Q266 Y269 R275L265-A273 HydrophobicContact CB-CB 4.07Å; Q266-A273 HydrophobicContact CG-CB 4.22Å; Y269-A273 PolarHBondContact O-N 2.82Å; A273-R275 VanDerWaalsContact C-N 3.27Å; A273-R275 PolarHBondContact O-N 3.05Å
274N90.1Very high90.6Very high124 Ų12464.5 Ų64.566%0.66330%0.302SS*.G310 helixtrans-77.3-6177.2-65.6-24.2000114.7L272 Y280L272-N274 PolarHBondContact O-N 2.88Å; L272-N274 VanDerWaalsContact O-N 3.14Å; N274-Y280 WeakPolarHBondContact O-CD2 3.34Å
275R89.9Confident90.4Very high172 Ų17262 Ų6265%0.64929%0.291SS*.G310 helixtrans-119.17.5177.9-65.8-173.8176.7-167.6-0.5113L272 A273 Y280L272-R275 CarbonylContact O-C 3.55Å; L272-R275 WeakPolarHBondContact O-CA 3.17Å; L272-R275 PolarHBondContact O-N 3.3Å; A273-R275 VanDerWaalsContact C-N 3.27Å; A273-R275 PolarHBondContact O-N 3.05Å; R275-Y280 VanDerWaalsContact C-CD1 3.43Å; R275-Y280 HydrophobicContact CB-CE1 4.4Å; R275-Y280 WeakPolarHBondContact O-CD1 3.39Å; R275-Y280 WeakPolarHBondContact O-CE1 3.45Å
276N92.9Very high89.9Confident12 Ų1263.2 Ų63.26%0.06430%0.298CS..  trans-128.3172-178.8-76-39.9000110.1G239 L265 L272 Y280G239-N276 PolarHBondContact N-OD1 3.19Å; G239-N276 WeakPolarHBondContact O-CB 3.3Å; L265-N276 HydrophobicContact CD1-CB 3.84Å; L265-N276 HydrophobicContact CD2-CB 3.99Å; L272-N276 WeakPolarHBondContact CB-ND2 3.4Å; L272-N276 PolarHBondContact O-N 2.8Å; L272-N276 PolarHBondContact O-ND2 3.47Å; N276-Y280 WeakPolarHBondContact O-CB 3.47Å
277G93.7Very high89.6Confident3 Ų367.3 Ų67.33%0.03131%0.31CS..SBendtrans90.3159.4177.300000114.1G239 E261 K279 Y280 L281G239-G277 PolarHBondContact O-N 3.3Å; E261-G277 VanDerWaalsContact CD-CA 3.44Å; E261-G277 WeakPolarHBondContact OE1-CA 3.43Å; E261-G277 WeakPolarHBondContact OE2-CA 3.41Å; G277-K279 VanDerWaalsContact C-N 3.31Å; G277-K279 PolarHBondContact O-N 3.19Å; G277-Y280 WeakPolarHBondContact O-CB 3.47Å; G277-Y280 PolarHBondContact O-N 3.41Å; G277-L281 PolarHBondContact O-N 3.25Å
278T90.9Very high89.4Confident7 Ų759.8 Ų59.84%0.04328%0.279CS..Hα-helixtrans-54.7-42.8-173.8-59.50000112.4S44 I258 E261 Y280 L281 A282S44-T278 WeakPolarHBondContact O-CG2 3.44Å; I258-T278 HydrophobicContact CD1-CG2 4.42Å; E261-T278 VanDerWaalsContact CD-N 3.34Å; E261-T278 PolarHBondContact OE1-N 3Å; E261-T278 PolarHBondContact OE1-OG1 3.36Å; E261-T278 WeakPolarHBondContact OE2-CB 3.13Å; E261-T278 PolarHBondContact OE2-N 3.22Å; E261-T278 PolarHBondContact OE2-OG1 3.11Å; E261-T278 VanDerWaalsContact OE2-OG1 3.09Å; T278-Y280 VanDerWaalsContact C-N 3.33Å; T278-Y280 PolarHBondContact O-N 3.4Å; T278-L281 WeakPolarHBondContact O-CB 3.13Å; T278-L281 PolarHBondContact O-N 3.16Å; T278-A282 PolarHBondContact O-N 3.5Å
279K88.6Confident89.1Confident148 Ų14855.2 Ų55.264%0.64326%0.259SS*.Hα-helixtrans-64.8-33.8177.9-72.7-178.2172.7174.90113.1I258 G277 R283I258-K279 HydrophobicContact CG2-CD 4.12Å; I258-K279 HydrophobicContact CG2-CG 4.16Å; G277-K279 VanDerWaalsContact C-N 3.31Å; G277-K279 PolarHBondContact O-N 3.19Å; K279-R283 WeakPolarHBondContact O-CG 3.36Å; K279-R283 PolarHBondContact O-N 3Å
280Y91.6Very high88.5Confident76 Ų7657.3 Ų57.330%0.29827%0.27SS..Hα-helixtrans-75.2-40175.3-175.3-94.7000111.1I238 N274 R275 N276 G277 T278 T284I238-Y280 HydrophobicContact CD1-CD1 3.91Å; I238-Y280 HydrophobicContact CD1-CE1 3.93Å; I238-Y280 HydrophobicContact CG1-CD1 4.23Å; I238-Y280 HydrophobicContact CG1-CE1 4.19Å; I238-Y280 HydrophobicContact CG2-CD1 4.24Å; N274-Y280 WeakPolarHBondContact O-CD2 3.34Å; R275-Y280 VanDerWaalsContact C-CD1 3.43Å; R275-Y280 HydrophobicContact CB-CE1 4.4Å; R275-Y280 WeakPolarHBondContact O-CD1 3.39Å; R275-Y280 WeakPolarHBondContact O-CE1 3.45Å; N276-Y280 WeakPolarHBondContact O-CB 3.47Å; G277-Y280 WeakPolarHBondContact O-CB 3.47Å; G277-Y280 PolarHBondContact O-N 3.41Å; T278-Y280 VanDerWaalsContact C-N 3.33Å; T278-Y280 PolarHBondContact O-N 3.4Å; Y280-T284 WeakPolarHBondContact CE1-OG1 3.16Å; Y280-T284 VanDerWaalsContact O-CB 3.29Å; Y280-T284 WeakPolarHBondContact O-CB 3.47Å; Y280-T284 PolarHBondContact O-N 2.86Å; Y280-T284 PolarHBondContact O-OG1 3.17Å
281L92Very high88.2Confident1 Ų159.2 Ų59.21%0.00527%0.272CS..Hα-helixtrans-57.5-53.6174.1-177.960.4000111.3V41 L45 L207 V209 I238 V240 G277 T278 R283 T284 L285V41-L281 HydrophobicContact CG1-CD2 3.73Å; L45-L281 HydrophobicContact CD2-CD2 4.49Å; L45-L281 HydrophobicContact CD2-CG 4.39Å; L207-L281 HydrophobicContact CD2-CD1 4.16Å; V209-L281 HydrophobicContact CG1-CD2 4.33Å; V209-L281 HydrophobicContact CG2-CD1 3.81Å; V209-L281 HydrophobicContact CG2-CD2 4.18Å; I238-L281 HydrophobicContact CB-CD1 4.33Å; I238-L281 HydrophobicContact CD1-CD1 3.81Å; I238-L281 HydrophobicContact CG2-CB 4.09Å; I238-L281 HydrophobicContact CG2-CD1 4.31Å; V240-L281 HydrophobicContact CG1-CD2 4.05Å; G277-L281 PolarHBondContact O-N 3.25Å; T278-L281 WeakPolarHBondContact O-CB 3.13Å; T278-L281 PolarHBondContact O-N 3.16Å; L281-R283 PolarHBondContact O-N 3.13Å; L281-T284 PolarHBondContact O-N 3.41Å; L281-T284 VanDerWaalsContact O-N 3.1Å; L281-L285 HydrophobicContact CD1-CD1 3.9Å; L281-L285 HydrophobicContact CD1-CD2 4.32Å; L281-L285 HydrophobicContact CD1-CG 3.89Å; L281-L285 HydrophobicContact CD2-CD1 4.5Å; L281-L285 HydrophobicContact CG-CD1 3.79Å; L281-L285 HydrophobicContact CG-CG 4.21Å; L281-L285 WeakPolarHBondContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CG 3.47Å; L281-L285 PolarHBondContact O-N 3.36Å
282A87.4Confident87.7Confident16 Ų1656.9 Ų56.913%0.13225%0.251CS..Hα-helixtrans-55-47.9-179.700000112.9L45 V136 T278 T284 N286L45-A282 HydrophobicContact CD2-CB 3.6Å; V136-A282 HydrophobicContact CG2-CB 4.4Å; T278-A282 PolarHBondContact O-N 3.5Å; A282-T284 VanDerWaalsContact C-N 3.35Å; A282-T284 PolarHBondContact O-N 3.25Å; A282-N286 WeakPolarHBondContact O-CB 3.44Å; A282-N286 PolarHBondContact O-N 2.72Å
283R86.6Confident87.2Confident189 Ų18956 Ų5671%0.71325%0.246SC*.Hα-helixtrans-65-38.2177.6-71.5175.9174.6-175.8-3112.3K279 L281 R287K279-R283 WeakPolarHBondContact O-CG 3.36Å; K279-R283 PolarHBondContact O-N 3Å; L281-R283 PolarHBondContact O-N 3.13Å; R283-R287 WeakPolarHBondContact O-CB 3.42Å; R283-R287 PolarHBondContact O-N 2.95Å
284T90.2Very high86.8Confident8 Ų864 Ų645%0.04928%0.276CS..Hα-helixtrans-71.2-43.9179.5-58.60000111.2I238 Y280 L281 A282 R287 L288I238-T284 HydrophobicContact CD1-CG2 3.98Å; Y280-T284 WeakPolarHBondContact CE1-OG1 3.16Å; Y280-T284 VanDerWaalsContact O-CB 3.29Å; Y280-T284 WeakPolarHBondContact O-CB 3.47Å; Y280-T284 PolarHBondContact O-N 2.86Å; Y280-T284 PolarHBondContact O-OG1 3.17Å; L281-T284 PolarHBondContact O-N 3.41Å; L281-T284 VanDerWaalsContact O-N 3.1Å; A282-T284 VanDerWaalsContact C-N 3.35Å; A282-T284 PolarHBondContact O-N 3.25Å; T284-R287 PolarHBondContact O-N 3.01Å; T284-L288 HydrophobicContact CG2-CD1 3.83Å; T284-L288 HydrophobicContact CG2-CG 4.23Å; T284-L288 WeakPolarHBondContact O-CB 3.28Å; T284-L288 VanDerWaalsContact O-CG 3.23Å; T284-L288 WeakPolarHBondContact O-CG 3.06Å; T284-L288 PolarHBondContact O-N 2.95Å
285L88.6Confident86.4Confident1 Ų162.6 Ų62.61%0.00527%0.268CS..Hα-helixtrans-59.5-48174.8-70.5173.9000111.8I28 L45 L138 L178 L207 L281 L288 L289I28-L285 HydrophobicContact CD1-CB 4.18Å; I28-L285 HydrophobicContact CD1-CD2 4.01Å; I28-L285 HydrophobicContact CG2-CD2 4.48Å; L45-L285 HydrophobicContact CD1-CD1 3.77Å; L45-L285 HydrophobicContact CD2-CD1 4.29Å; L138-L285 HydrophobicContact CD1-CB 4.05Å; L138-L285 HydrophobicContact CD2-CB 4.1Å; L138-L285 HydrophobicContact CD2-CD1 4.22Å; L178-L285 HydrophobicContact CD1-CD2 3.86Å; L178-L285 HydrophobicContact CD2-CD1 4.36Å; L178-L285 HydrophobicContact CD2-CD2 4.4Å; L207-L285 HydrophobicContact CD2-CD2 3.6Å; L207-L285 HydrophobicContact CD2-CG 4.43Å; L281-L285 HydrophobicContact CD1-CD1 3.9Å; L281-L285 HydrophobicContact CD1-CD2 4.32Å; L281-L285 HydrophobicContact CD1-CG 3.89Å; L281-L285 HydrophobicContact CD2-CD1 4.5Å; L281-L285 HydrophobicContact CG-CD1 3.79Å; L281-L285 HydrophobicContact CG-CG 4.21Å; L281-L285 WeakPolarHBondContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CG 3.47Å; L281-L285 PolarHBondContact O-N 3.36Å; L285-L288 PolarHBondContact O-N 3.33Å; L285-L289 VanDerWaalsContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CB 3.35Å; L285-L289 PolarHBondContact O-N 3.18Å
286N84.2Confident85.9Confident27 Ų2754.9 Ų54.914%0.14424%0.241CC..Hα-helixtrans-59.6-48.7176.2-178.14.3000111.3I5 V136 A282 L288 L289 M290I5-N286 WeakPolarHBondContact CD1-OD1 3.43Å; V136-N286 HydrophobicContact CB-CB 4.45Å; V136-N286 HydrophobicContact CG2-CB 4.17Å; A282-N286 WeakPolarHBondContact O-CB 3.44Å; A282-N286 PolarHBondContact O-N 2.72Å; N286-L288 PolarHBondContact O-N 3.44Å; N286-L289 PolarHBondContact O-N 3.33Å; N286-M290 WeakPolarHBondContact O-CG 3.39Å; N286-M290 PolarHBondContact O-N 2.85Å; N286-M290 WeakPolarHBondContact OD1-CE 3.45Å
287R85.6Confident85.2Confident152 Ų15255.2 Ų55.257%0.57424%0.242SC*.Hα-helixtrans-60.1-43.5177.4-175.1-177.365.5174.3-1112.8R283 T284 H291R283-R287 WeakPolarHBondContact O-CB 3.42Å; R283-R287 PolarHBondContact O-N 2.95Å; T284-R287 PolarHBondContact O-N 3.01Å; R287-H291 WeakPolarHBondContact O-CB 3.48Å; R287-H291 PolarHBondContact O-N 3.38Å
288L86.9Confident84.8Confident31 Ų3159.1 Ų59.116%0.16227%0.267CS..Hα-helixtrans-65-45.2178-73.7173.1000110.9I176 L207 L235 T284 L285 N286 H291 H292I176-L288 HydrophobicContact CD1-CB 4.21Å; L207-L288 HydrophobicContact CD2-CD1 4.13Å; L235-L288 HydrophobicContact CB-CD1 4.34Å; L235-L288 HydrophobicContact CD1-CD1 4.29Å; L235-L288 HydrophobicContact CD2-CD2 4Å; T284-L288 HydrophobicContact CG2-CD1 3.83Å; T284-L288 HydrophobicContact CG2-CG 4.23Å; T284-L288 WeakPolarHBondContact O-CB 3.28Å; T284-L288 VanDerWaalsContact O-CG 3.23Å; T284-L288 WeakPolarHBondContact O-CG 3.06Å; T284-L288 PolarHBondContact O-N 2.95Å; L285-L288 PolarHBondContact O-N 3.33Å; N286-L288 PolarHBondContact O-N 3.44Å; L288-H291 PolarHBondContact O-N 3.01Å; L288-H292 WeakPolarHBondContact O-CB 3.46Å; L288-H292 PolarHBondContact O-N 3.14Å
289L81.9Confident84.4Confident3 Ų365.2 Ų65.22%0.01630%0.295CS..Hα-helixtrans-61.6-44.7176.7-17559.6000111.5I5 I28 L138 L285 N286 H291 H292 I293I5-L289 HydrophobicContact CD1-CD2 4.16Å; I5-L289 HydrophobicContact CG1-CD2 4.48Å; I28-L289 HydrophobicContact CD1-CB 4.26Å; I28-L289 HydrophobicContact CD1-CD2 4.42Å; I28-L289 HydrophobicContact CG1-CD1 4.2Å; L138-L289 HydrophobicContact CD1-CB 4.49Å; L138-L289 HydrophobicContact CD1-CD2 3.84Å; L285-L289 VanDerWaalsContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CB 3.35Å; L285-L289 PolarHBondContact O-N 3.18Å; N286-L289 PolarHBondContact O-N 3.33Å; L289-H291 PolarHBondContact O-N 3.27Å; L289-H292 PolarHBondContact O-N 3.13Å; L289-I293 HydrophobicContact CD1-CD1 4.02Å; L289-I293 HydrophobicContact CD1-CG1 4.14Å; L289-I293 HydrophobicContact CD2-CD1 4.47Å; L289-I293 HydrophobicContact CG-CD1 3.73Å; L289-I293 HydrophobicContact CG-CG1 4.32Å; L289-I293 VanDerWaalsContact O-CB 3.31Å; L289-I293 WeakPolarHBondContact O-CB 3.46Å; L289-I293 WeakPolarHBondContact O-CD1 3.43Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.67Å
290M78.9Confident84.1Confident47 Ų4758.5 Ų58.523%0.23227%0.266CS..Hα-helixtrans-61.9-42.5176.2-73.7-170.6-67.500113.1I5 N286 R294I5-M290 HydrophobicContact CD1-CG 4.07Å; I5-M290 HydrophobicContact CG1-CG 4.4Å; N286-M290 WeakPolarHBondContact O-CG 3.39Å; N286-M290 PolarHBondContact O-N 2.85Å; N286-M290 WeakPolarHBondContact OD1-CE 3.45Å; M290-R294 WeakPolarHBondContact O-CB 3.39Å; M290-R294 PolarHBondContact O-N 3.22Å; M290-R294 VanDerWaalsContact O-N 3.08Å
291H83.1Confident83.7Confident117 Ų11757.9 Ų57.954%0.54227%0.265SS..Hα-helixtrans-65-46.1176.9-166.5-62.1000111R287 L288 L289 R294 D295R287-H291 WeakPolarHBondContact O-CB 3.48Å; R287-H291 PolarHBondContact O-N 3.38Å; L288-H291 PolarHBondContact O-N 3.01Å; L289-H291 PolarHBondContact O-N 3.27Å; H291-R294 WeakPolarHBondContact O-CB 3.33Å; H291-R294 PolarHBondContact O-N 3.29Å; H291-R294 VanDerWaalsContact O-N 3.17Å; H291-D295 IonicContact CE1-OD1 2.97Å; H291-D295 IonicContact CE1-OD2 3.78Å; H291-D295 PolarHBondContact CE1-OD2 3.4Å; H291-D295 IonicContact ND1-OD1 3.5Å; H291-D295 IonicContact ND1-OD2 3Å; H291-D295 PolarHBondContact ND1-OD2 2.96Å; H291-D295 VanDerWaalsContact O-CG 3.29Å; H291-D295 PolarHBondContact O-N 3.02Å
292H79.8Confident83.5Confident34 Ų3461.8 Ų61.816%0.15729%0.289CS..Hα-helixtrans-65.6-42.2-179.5-172.173.2000112.3N174 I176 L288 L289 R294 D295 C296N174-H292 WeakPolarHBondContact CA-NE2 3.2Å; N174-H292 PolarHBondContact O-CD2 3.13Å; N174-H292 PolarHBondContact O-NE2 3.34Å; I176-H292 HydrophobicContact CD1-CB 3.92Å; I176-H292 HydrophobicContact CG1-CB 4.48Å; L288-H292 WeakPolarHBondContact O-CB 3.46Å; L288-H292 PolarHBondContact O-N 3.14Å; L289-H292 PolarHBondContact O-N 3.13Å; H292-R294 VanDerWaalsContact C-N 3.32Å; H292-R294 PolarHBondContact O-N 2.94Å; H292-D295 PolarHBondContact O-N 2.73Å; H292-C296 WeakPolarHBondContact O-CB 3.4Å; H292-C296 PolarHBondContact O-N 3.31Å; H292-C296 PolarHBondContact O-SG 3.17Å
293I78.8Confident83.3Confident2 Ų266.4 Ų66.41%0.0130%0.303CS..Hα-helixtrans-55-49.1169.6-72.6165.7000110.4L4 I5 I8 P26 L289 D295 C296 L297L4-I293 HydrophobicContact CB-CG2 4.3Å; L4-I293 HydrophobicContact CD2-CG2 4.2Å; I5-I293 HydrophobicContact CG1-CD1 3.94Å; I8-I293 HydrophobicContact CD1-CG1 4.42Å; I8-I293 HydrophobicContact CD1-CG2 4.02Å; I8-I293 HydrophobicContact CG1-CD1 3.73Å; I8-I293 HydrophobicContact CG1-CG1 3.87Å; I8-I293 HydrophobicContact CG1-CG2 3.87Å; P26-I293 HydrophobicContact CB-CG1 4.01Å; P26-I293 HydrophobicContact CG-CB 4.46Å; P26-I293 HydrophobicContact CG-CG1 3.65Å; L289-I293 HydrophobicContact CD1-CD1 4.02Å; L289-I293 HydrophobicContact CD1-CG1 4.14Å; L289-I293 HydrophobicContact CD2-CD1 4.47Å; L289-I293 HydrophobicContact CG-CD1 3.73Å; L289-I293 HydrophobicContact CG-CG1 4.32Å; L289-I293 VanDerWaalsContact O-CB 3.31Å; L289-I293 WeakPolarHBondContact O-CB 3.46Å; L289-I293 WeakPolarHBondContact O-CD1 3.43Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.67Å; I293-D295 VanDerWaalsContact C-N 3.32Å; I293-D295 PolarHBondContact O-N 3.37Å; I293-C296 PolarHBondContact O-N 2.98Å; I293-L297 HydrophobicContact CG2-CD1 3.69Å; I293-L297 HydrophobicContact CG2-CG 4.02Å; I293-L297 WeakPolarHBondContact O-CB 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.35Å; I293-L297 PolarHBondContact O-N 2.91Å
294R80.5Confident83.3Confident174 Ų17457.4 Ų57.466%0.65727%0.269SS*.Hα-helixtrans-60.5-40.4-178.8179.3-177.3176.9170.61.4112.4M290 H291 H292 P298M290-R294 WeakPolarHBondContact O-CB 3.39Å; M290-R294 PolarHBondContact O-N 3.22Å; M290-R294 VanDerWaalsContact O-N 3.08Å; H291-R294 WeakPolarHBondContact O-CB 3.33Å; H291-R294 PolarHBondContact O-N 3.29Å; H291-R294 VanDerWaalsContact O-N 3.17Å; H292-R294 VanDerWaalsContact C-N 3.32Å; H292-R294 PolarHBondContact O-N 2.94Å; R294-P298 WeakPolarHBondContact O-CD 3.26Å
295D82.1Confident83.2Confident94 Ų9460.6 Ų60.650%0.50329%0.286SS..Hα-helixtrans-73.9-37.3-179.6-63.1-22.8000112.2H291 H292 I293 P298H291-D295 IonicContact CE1-OD1 2.97Å; H291-D295 IonicContact CE1-OD2 3.78Å; H291-D295 PolarHBondContact CE1-OD2 3.4Å; H291-D295 IonicContact ND1-OD1 3.5Å; H291-D295 IonicContact ND1-OD2 3Å; H291-D295 PolarHBondContact ND1-OD2 2.96Å; H291-D295 VanDerWaalsContact O-CG 3.29Å; H291-D295 PolarHBondContact O-N 3.02Å; H292-D295 PolarHBondContact O-N 2.73Å; I293-D295 VanDerWaalsContact C-N 3.32Å; I293-D295 PolarHBondContact O-N 3.37Å; D295-P298 WeakPolarHBondContact O-CD 3.2Å
296C79.1Confident83.3Confident11 Ų1164.5 Ų64.57%0.07431%0.309CS..Hα-helixtrans-78-26.3178.4-66.50000113.8N174 H292 I293 E299 L300N174-C296 PolarHBondContact OD1-SG 3.43Å; H292-C296 WeakPolarHBondContact O-CB 3.4Å; H292-C296 PolarHBondContact O-N 3.31Å; H292-C296 PolarHBondContact O-SG 3.17Å; I293-C296 PolarHBondContact O-N 2.98Å; C296-E299 PolarHBondContact O-N 3.35Å; C296-L300 WeakPolarHBondContact O-CB 3.48Å; C296-L300 PolarHBondContact O-N 2.95Å
297L79.8Confident83.5Confident19 Ų1964.2 Ų64.210%0.09931%0.308CS..Hα-helixtrans-56.4-41.4-174.8-92.7171.2000115.1L4 I293 L300 K301 I670 I673L4-L297 HydrophobicContact CD2-CD1 3.73Å; I293-L297 HydrophobicContact CG2-CD1 3.69Å; I293-L297 HydrophobicContact CG2-CG 4.02Å; I293-L297 WeakPolarHBondContact O-CB 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.35Å; I293-L297 PolarHBondContact O-N 2.91Å; L297-L300 HydrophobicContact CD2-CD2 4.38Å; L297-L300 PolarHBondContact O-N 3.32Å; L297-K301 WeakPolarHBondContact O-CB 3.42Å; L297-K301 PolarHBondContact O-N 3.08Å; L297-I670 HydrophobicContact CD2-CG1 4.41Å; L297-I673 HydrophobicContact CD1-CD1 3.91Å; L297-I673 HydrophobicContact CD1-CG2 4.33Å; L297-I673 HydrophobicContact CD2-CD1 3.72Å
298P84Confident83.6Confident85 Ų8557.9 Ų57.955%0.55229%0.288SS*.Hα-helixtrans-60.4-43.6175.5-25.335.2000113.2R294 D295 K301 T302R294-P298 WeakPolarHBondContact O-CD 3.26Å; D295-P298 WeakPolarHBondContact O-CD 3.2Å; P298-K301 PolarHBondContact O-N 2.91Å; P298-T302 PolarHBondContact O-N 3Å; P298-T302 VanDerWaalsContact O-N 3.08Å; P298-T302 PolarHBondContact O-OG1 3.31Å
299E82.7Confident83.8Confident134 Ų13459.4 Ų59.463%0.62631%0.305SS*.Hα-helixtrans-72.4-38.7178.9-172.4177.6176.500111.7C296 K301 T302 R303C296-E299 PolarHBondContact O-N 3.35Å; E299-K301 VanDerWaalsContact C-N 3.27Å; E299-K301 PolarHBondContact O-N 2.88Å; E299-T302 WeakPolarHBondContact CA-OG1 3.42Å; E299-T302 PolarHBondContact O-N 3.13Å; E299-T302 PolarHBondContact O-OG1 2.85Å; E299-R303 WeakPolarHBondContact O-CB 3.35Å; E299-R303 PolarHBondContact O-N 2.94Å
300L81.4Confident84.2Confident8 Ų864.7 Ų64.74%0.04233%0.329CS..Hα-helixtrans-58.4-41.9171.9-178.860.5000111.1L11 I23 L25 C296 L297 R303 I304 I670L11-L300 HydrophobicContact CD1-CD2 4.33Å; I23-L300 HydrophobicContact CG2-CD1 3.5Å; I23-L300 VanDerWaalsContact CG2-CD1 3.5Å; L25-L300 HydrophobicContact CD2-CD1 4.33Å; L25-L300 HydrophobicContact CD2-CD2 3.95Å; C296-L300 WeakPolarHBondContact O-CB 3.48Å; C296-L300 PolarHBondContact O-N 2.95Å; L297-L300 HydrophobicContact CD2-CD2 4.38Å; L297-L300 PolarHBondContact O-N 3.32Å; L300-R303 PolarHBondContact O-N 2.98Å; L300-I304 HydrophobicContact CD1-CD1 4Å; L300-I304 HydrophobicContact CD1-CG1 4.44Å; L300-I304 HydrophobicContact CG-CD1 3.94Å; L300-I304 WeakPolarHBondContact O-CB 3.45Å; L300-I304 WeakPolarHBondContact O-CG1 3.36Å; L300-I304 PolarHBondContact O-N 3.42Å; L300-I670 HydrophobicContact CD2-CD1 4.45Å; L300-I670 HydrophobicContact CG-CD1 4.37Å
301K83.9Confident84.5Confident62 Ų6265 Ų6527%0.2733%0.328SS..Hα-helixtrans-65.7-45176.9-174.3173-175.6161.20112.6L297 P298 E299 R303 I304 N305 I670L297-K301 WeakPolarHBondContact O-CB 3.42Å; L297-K301 PolarHBondContact O-N 3.08Å; P298-K301 PolarHBondContact O-N 2.91Å; E299-K301 VanDerWaalsContact C-N 3.27Å; E299-K301 PolarHBondContact O-N 2.88Å; K301-R303 VanDerWaalsContact C-N 3.34Å; K301-I304 PolarHBondContact O-N 3.11Å; K301-N305 WeakPolarHBondContact O-CB 3.29Å; K301-N305 VanDerWaalsContact O-CG 3.31Å; K301-N305 PolarHBondContact O-N 3.01Å; K301-I670 HydrophobicContact CB-CG2 4.15Å; K301-I670 HydrophobicContact CD-CG2 3.9Å; K301-I670 HydrophobicContact CG-CG2 4.13Å
302T87.6Confident84.8Confident83 Ų8363.3 Ų63.351%0.50932%0.321SS..Hα-helixtrans-64.5-41.3177.353.60000110.9P298 E299 N305 V306P298-T302 PolarHBondContact O-N 3Å; P298-T302 VanDerWaalsContact O-N 3.08Å; P298-T302 PolarHBondContact O-OG1 3.31Å; E299-T302 WeakPolarHBondContact CA-OG1 3.42Å; E299-T302 PolarHBondContact O-N 3.13Å; E299-T302 PolarHBondContact O-OG1 2.85Å; T302-N305 PolarHBondContact O-N 2.87Å; T302-V306 WeakPolarHBondContact O-CG2 3.49Å; T302-V306 PolarHBondContact O-N 3.06Å
303R84.5Confident85.1Confident114 Ų11465.7 Ų65.743%0.4334%0.341SS..Hα-helixtrans-60.7-46.5174.9-172.7177.4177.1107.9-4.1112.5I22 E299 L300 K301 N305 V306 L307I22-R303 PolarHBondContact O-NH2 3Å; E299-R303 WeakPolarHBondContact O-CB 3.35Å; E299-R303 PolarHBondContact O-N 2.94Å; L300-R303 PolarHBondContact O-N 2.98Å; K301-R303 VanDerWaalsContact C-N 3.34Å; R303-N305 VanDerWaalsContact C-N 3.34Å; R303-N305 PolarHBondContact O-N 2.83Å; R303-V306 PolarHBondContact O-N 3.4Å; R303-L307 HydrophobicContact CG-CD1 4.1Å; R303-L307 WeakPolarHBondContact O-CB 3.41Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 3.42Å
304I86.3Confident85.3Confident0 Ų068.5 Ų68.50%036%0.356CS..Hα-helixtrans-60.7-42.9176.2-74.7164.5000111.1F15 I23 L300 K301 L307 A308 L663 A666 I670F15-I304 HydrophobicContact CZ-CD1 4.13Å; F15-I304 HydrophobicContact CZ-CG1 4.4Å; I23-I304 HydrophobicContact CD1-CG1 3.89Å; L300-I304 HydrophobicContact CD1-CD1 4Å; L300-I304 HydrophobicContact CD1-CG1 4.44Å; L300-I304 HydrophobicContact CG-CD1 3.94Å; L300-I304 WeakPolarHBondContact O-CB 3.45Å; L300-I304 WeakPolarHBondContact O-CG1 3.36Å; L300-I304 PolarHBondContact O-N 3.42Å; K301-I304 PolarHBondContact O-N 3.11Å; I304-L307 PolarHBondContact O-N 3.29Å; I304-A308 VanDerWaalsContact O-CB 3.27Å; I304-A308 WeakPolarHBondContact O-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.5Å; I304-L663 HydrophobicContact CG1-CD2 4.37Å; I304-L663 HydrophobicContact CG2-CD2 4.17Å; I304-A666 HydrophobicContact CD1-CB 4.24Å; I304-I670 HydrophobicContact CD1-CD1 3.44Å; I304-I670 VanDerWaalsContact CD1-CD1 3.44Å
305N88.4Confident85.4Confident75 Ų7561.8 Ų61.840%0.40133%0.333SS..Hα-helixtrans-65.3-39.7177.6-73.1-11.3000112.7K301 T302 R303 A308 A309K301-N305 WeakPolarHBondContact O-CB 3.29Å; K301-N305 VanDerWaalsContact O-CG 3.31Å; K301-N305 PolarHBondContact O-N 3.01Å; T302-N305 PolarHBondContact O-N 2.87Å; R303-N305 VanDerWaalsContact C-N 3.34Å; R303-N305 PolarHBondContact O-N 2.83Å; N305-A308 PolarHBondContact O-N 3.43Å; N305-A309 WeakPolarHBondContact O-CB 3.44Å; N305-A309 PolarHBondContact O-N 3.32Å
306V90.6Very high85.3Confident82 Ų8260.8 Ų60.850%0.49733%0.333SS..Hα-helixtrans-65.5-46.4175.7169.40000110.8T302 R303 A308 A309 Q310T302-V306 WeakPolarHBondContact O-CG2 3.49Å; T302-V306 PolarHBondContact O-N 3.06Å; R303-V306 PolarHBondContact O-N 3.4Å; V306-A308 PolarHBondContact O-N 3.31Å; V306-A309 PolarHBondContact O-N 2.84Å; V306-Q310 WeakPolarHBondContact O-CG 3.33Å; V306-Q310 PolarHBondContact O-N 3.44Å
307L87.1Confident85.2Confident22 Ų2262.3 Ų62.312%0.11534%0.344CS..Hα-helixtrans-61.6-43.3175.7-70.8170.5000111.2I22 I23 R303 I304 A309 Q310 Y311 L663I22-L307 HydrophobicContact CG2-CD1 3.96Å; I22-L307 HydrophobicContact CG2-CD2 4.21Å; I23-L307 HydrophobicContact CD1-CD1 3.91Å; I23-L307 HydrophobicContact CG1-CD1 3.85Å; R303-L307 HydrophobicContact CG-CD1 4.1Å; R303-L307 WeakPolarHBondContact O-CB 3.41Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 3.42Å; I304-L307 PolarHBondContact O-N 3.29Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.47Å; L307-Q310 PolarHBondContact O-N 3.47Å; L307-Y311 VanDerWaalsContact O-CD2 3.29Å; L307-Y311 WeakPolarHBondContact O-CD2 3.42Å; L307-Y311 PolarHBondContact O-N 2.91Å; L307-L663 HydrophobicContact CB-CD1 3.93Å; L307-L663 HydrophobicContact CB-CD2 4.17Å
308A88.8Confident84.9Confident19 Ų1963.4 Ų63.416%0.15735%0.347CS..Hα-helixtrans-61.2-42.2176.900000111.7I304 N305 V306 Q312 L660 L663I304-A308 VanDerWaalsContact O-CB 3.27Å; I304-A308 WeakPolarHBondContact O-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.5Å; N305-A308 PolarHBondContact O-N 3.43Å; V306-A308 PolarHBondContact O-N 3.31Å; A308-Q312 WeakPolarHBondContact O-CB 3.35Å; A308-Q312 PolarHBondContact O-N 3.48Å; A308-L660 HydrophobicContact CB-CD1 4.31Å; A308-L660 WeakPolarHBondContact O-CD1 3.5Å; A308-L663 HydrophobicContact CB-CB 4.2Å
309A90.3Very high84.3Confident62 Ų6260 Ų6051%0.51233%0.327SS..Hα-helixtrans-65-38.1174.900000112.6N305 V306 L307 S313N305-A309 WeakPolarHBondContact O-CB 3.44Å; N305-A309 PolarHBondContact O-N 3.32Å; V306-A309 PolarHBondContact O-N 2.84Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.47Å; A309-S313 WeakPolarHBondContact O-CB 3.36Å; A309-S313 PolarHBondContact O-N 2.98Å
310Q89.5Confident83.6Confident114 Ų11461.1 Ų61.153%0.53333%0.333SS..Hα-helixtrans-65.1-49.8175-73.4172.6-1100111.8V306 L307 Q312 S313 L314V306-Q310 WeakPolarHBondContact O-CG 3.33Å; V306-Q310 PolarHBondContact O-N 3.44Å; L307-Q310 PolarHBondContact O-N 3.47Å; Q310-Q312 VanDerWaalsContact C-N 3.33Å; Q310-Q312 PolarHBondContact O-N 3.43Å; Q310-S313 PolarHBondContact O-N 2.92Å; Q310-L314 WeakPolarHBondContact O-CB 3.48Å; Q310-L314 PolarHBondContact O-N 3.41Å
311Y86.9Confident82.9Confident53 Ų5364.6 Ų64.621%0.20836%0.355CS..Hα-helixtrans-65.7-34.6176.9-80.8-73000112.5L307 L314 L315 A656 M659 L663L307-Y311 VanDerWaalsContact O-CD2 3.29Å; L307-Y311 WeakPolarHBondContact O-CD2 3.42Å; L307-Y311 PolarHBondContact O-N 2.91Å; Y311-L314 HydrophobicContact CD1-CD2 4.31Å; Y311-L314 HydrophobicContact CE1-CD2 4.49Å; Y311-L314 PolarHBondContact O-N 2.92Å; Y311-L315 VanDerWaalsContact O-CB 3.3Å; Y311-L315 WeakPolarHBondContact O-CB 3.34Å; Y311-L315 PolarHBondContact O-N 3.46Å; Y311-A656 HydrophobicContact CD1-CB 4.09Å; Y311-M659 HydrophobicContact CD1-CB 4.31Å; Y311-M659 HydrophobicContact CD1-CG 4.3Å; Y311-M659 HydrophobicContact CD2-CG 3.9Å; Y311-M659 HydrophobicContact CE1-CB 4.19Å; Y311-M659 HydrophobicContact CE1-CG 4Å; Y311-M659 HydrophobicContact CE2-CG 3.57Å; Y311-M659 HydrophobicContact CG-CG 4.27Å; Y311-L663 HydrophobicContact CD2-CD1 3.62Å; Y311-L663 HydrophobicContact CE2-CD1 4.22Å; Y311-L663 HydrophobicContact CG-CD1 4.46Å
312Q88.4Confident82.2Confident83 Ų8363.6 Ų63.639%0.38836%0.355SS..Hα-helixtrans-62-46.4171.7-177.564.572.400111.3A308 Q310 L314 L315 S316 L660A308-Q312 WeakPolarHBondContact O-CB 3.35Å; A308-Q312 PolarHBondContact O-N 3.48Å; Q310-Q312 VanDerWaalsContact C-N 3.33Å; Q310-Q312 PolarHBondContact O-N 3.43Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 3.31Å; Q312-L315 PolarHBondContact O-N 3.48Å; Q312-S316 WeakPolarHBondContact O-CB 3.35Å; Q312-S316 PolarHBondContact O-N 2.92Å; Q312-S316 PolarHBondContact O-OG 2.8Å; Q312-L660 HydrophobicContact CB-CD1 4.27Å; Q312-L660 HydrophobicContact CB-CD2 4.48Å
313S86.3Confident81.4Confident83 Ų8368.4 Ų68.458%0.5837%0.371SS*.Hα-helixtrans-65.6-36.2177-170.90000112.5A309 Q310 S317A309-S313 WeakPolarHBondContact O-CB 3.36Å; A309-S313 PolarHBondContact O-N 2.98Å; Q310-S313 PolarHBondContact O-N 2.92Å; S313-S317 PolarHBondContact O-N 2.66Å
314L83.6Confident81.3Confident62 Ų6266.8 Ų66.833%0.32537%0.371SS..Hα-helixtrans-66.9-45.5176.1-172.868.4000111.1Q310 Y311 Q312 S316 S317 Y318 A656Q310-L314 WeakPolarHBondContact O-CB 3.48Å; Q310-L314 PolarHBondContact O-N 3.41Å; Y311-L314 HydrophobicContact CD1-CD2 4.31Å; Y311-L314 HydrophobicContact CE1-CD2 4.49Å; Y311-L314 PolarHBondContact O-N 2.92Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 3.31Å; L314-S316 VanDerWaalsContact C-N 3.34Å; L314-S316 PolarHBondContact O-N 2.92Å; L314-S317 WeakPolarHBondContact O-CB 3.33Å; L314-S317 PolarHBondContact O-N 2.95Å; L314-S317 PolarHBondContact O-OG 3.38Å; L314-Y318 HydrophobicContact CD1-CE1 4.23Å; L314-Y318 HydrophobicContact CD1-CE2 4.18Å; L314-Y318 HydrophobicContact CD2-CE2 4.06Å; L314-Y318 HydrophobicContact CG-CD2 4.38Å; L314-Y318 HydrophobicContact CG-CE2 3.69Å; L314-Y318 PolarHBondContact O-N 3.49Å; L314-A656 HydrophobicContact CD2-CB 4.31Å
315L82.7Confident81.2Confident32 Ų3270 Ų7017%0.16839%0.386CS..Hα-helixtrans-62.1-42.6176.3-163.9160.3000110.7Y311 Q312 S317 Y318 G319 A657 L660Y311-L315 VanDerWaalsContact O-CB 3.3Å; Y311-L315 WeakPolarHBondContact O-CB 3.34Å; Y311-L315 PolarHBondContact O-N 3.46Å; Q312-L315 PolarHBondContact O-N 3.48Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.32Å; L315-Y318 PolarHBondContact O-N 2.89Å; L315-G319 PolarHBondContact O-N 2.95Å; L315-G319 VanDerWaalsContact O-N 3.1Å; L315-A657 HydrophobicContact CD1-CB 3.79Å; L315-L660 HydrophobicContact CD1-CD2 3.97Å
316S80Confident81.1Confident73 Ų7367.9 Ų67.951%0.5138%0.377SS..Hα-helixtrans-60.5-34.2171.6-660000113.2Q312 L314 G319Q312-S316 WeakPolarHBondContact O-CB 3.35Å; Q312-S316 PolarHBondContact O-N 2.92Å; Q312-S316 PolarHBondContact O-OG 2.8Å; L314-S316 VanDerWaalsContact C-N 3.34Å; L314-S316 PolarHBondContact O-N 2.92Å; S316-G319 PolarHBondContact O-N 2.87Å
317S76.8Confident80.9Confident43 Ų4365.6 Ų65.630%0.30137%0.367SS..Hα-helixtrans-71.4-28.917574.70000113.9S313 L314 L315 G319S313-S317 PolarHBondContact O-N 2.66Å; L314-S317 WeakPolarHBondContact O-CB 3.33Å; L314-S317 PolarHBondContact O-N 2.95Å; L314-S317 PolarHBondContact O-OG 3.38Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.32Å; S317-G319 VanDerWaalsContact C-N 3.26Å
318Y73.8Confident80.9Confident42 Ų4266 Ų6617%0.16537%0.371CS..Hα-helixtrans-78.8-11.6170.7-58.9-30.5000113L314 L315 R452 M649 R652 R653 A656L314-Y318 HydrophobicContact CD1-CE1 4.23Å; L314-Y318 HydrophobicContact CD1-CE2 4.18Å; L314-Y318 HydrophobicContact CD2-CE2 4.06Å; L314-Y318 HydrophobicContact CG-CD2 4.38Å; L314-Y318 HydrophobicContact CG-CE2 3.69Å; L314-Y318 PolarHBondContact O-N 3.49Å; L315-Y318 PolarHBondContact O-N 2.89Å; Y318-R452 WeakPolarHBondContact O-CD 3.47Å; Y318-R452 PolarHBondContact O-NH1 3.22Å; Y318-M649 HydrophobicContact CD1-CE 3.84Å; Y318-M649 HydrophobicContact CE1-CE 4.33Å; Y318-R652 HydrophobicContact CE2-CB 4.23Å; Y318-R653 HydrophobicContact CD2-CB 3.98Å; Y318-R653 HydrophobicContact CD2-CG 4.34Å; Y318-A656 HydrophobicContact CE2-CB 4.45Å
319G69.7Low80.9Confident13 Ų1365.1 Ų65.113%0.13436%0.363CS..  trans80.1163.417700000114.7L315 S316 S317 R653L315-G319 PolarHBondContact O-N 2.95Å; L315-G319 VanDerWaalsContact O-N 3.1Å; S316-G319 PolarHBondContact O-N 2.87Å; S317-G319 VanDerWaalsContact C-N 3.26Å; G319-R653 PolarHBondContact O-NH1 3Å
320E69Low80.9Confident159 Ų15964.9 Ų64.974%0.74335%0.353SS*.  trans-73153-174.2-66.1178.2170.700112.4R452E320-R452 PolarHBondContact O-NH1 2.87Å; E320-R452 PolarHBondContact O-NH2 3.47Å
321P67Low80.8Confident80 Ų8065 Ų6552%0.51935%0.353SS..  trans-54.3143170.125-34.5000111E323P321-E323 PolarHBondContact O-N 3.19Å
322V69.4Low80.8Confident42 Ų4262.8 Ų62.826%0.25535%0.345SS..  trans-76.591-179.5-173.30000109.1Q325 T328 F453 L643V322-Q325 HydrophobicContact CG1-CB 4.27Å; V322-Q325 HydrophobicContact CG1-CG 3.78Å; V322-T328 HydrophobicContact CG1-CG2 4.44Å; V322-T328 HydrophobicContact CG2-CG2 4.47Å; V322-F453 HydrophobicContact CG2-CE1 4.11Å; V322-F453 HydrophobicContact CG2-CZ 3.67Å; V322-L643 HydrophobicContact CG1-CD1 4.33Å
323E71.3Confident80.9Confident184 Ų18458.9 Ų58.986%0.8633%0.327SS*.SBendtrans-74.8-46.1174-62-169.2165.600111.4P321P321-E323 PolarHBondContact O-N 3.19Å
324D82.2Confident81.1Confident80 Ų8057.4 Ų57.443%0.42831%0.314SS..  trans-120.1102.3173.7179.90.5000110.7S326 A327 T328D324-S326 PolarHBondContact O-N 3.43Å; D324-S326 WeakPolarHBondContact OD1-CA 3.41Å; D324-S326 WeakPolarHBondContact OD1-CB 3.48Å; D324-S326 PolarHBondContact OD1-N 2.84Å; D324-S326 PolarHBondContact OD1-OG 3.48Å; D324-S326 PolarHBondContact OD2-OG 3.49Å; D324-A327 HydrophobicContact CB-CB 4.08Å; D324-A327 PolarHBondContact O-N 3.44Å; D324-A327 PolarHBondContact OD1-N 3.45Å; D324-A327 VanDerWaalsContact OD2-CB 3.32Å; D324-A327 WeakPolarHBondContact OD2-CB 3.33Å; D324-T328 WeakPolarHBondContact O-CB 3.29Å; D324-T328 PolarHBondContact O-N 2.92Å; D324-T328 PolarHBondContact O-OG1 3.48Å
325Q83.3Confident81.3Confident67 Ų6759 Ų5931%0.31332%0.319SS..Hα-helixtrans-53.7-37.1175.3-69.8-179.2-9.200113.3V322 L329 L639 N640 L643V322-Q325 HydrophobicContact CG1-CB 4.27Å; V322-Q325 HydrophobicContact CG1-CG 3.78Å; Q325-L329 WeakPolarHBondContact O-CB 3.28Å; Q325-L329 PolarHBondContact O-N 3.32Å; Q325-L639 HydrophobicContact CB-CB 4.48Å; Q325-N640 PolarHBondContact NE2-OD1 3.3Å; Q325-N640 PolarHBondContact OE1-OD1 3.43Å; Q325-L643 HydrophobicContact CB-CD1 3.69Å; Q325-L643 HydrophobicContact CG-CD1 3.99Å; Q325-L643 VanDerWaalsContact O-CD1 3.31Å; Q325-L643 WeakPolarHBondContact O-CD1 3.46Å
326S86.8Confident81.7Confident31 Ų3157.8 Ų57.822%0.21731%0.312CS..Hα-helixtrans-73.1-46.2-17573.60000111.4D324 L330D324-S326 PolarHBondContact O-N 3.43Å; D324-S326 WeakPolarHBondContact OD1-CA 3.41Å; D324-S326 WeakPolarHBondContact OD1-CB 3.48Å; D324-S326 PolarHBondContact OD1-N 2.84Å; D324-S326 PolarHBondContact OD1-OG 3.48Å; D324-S326 PolarHBondContact OD2-OG 3.49Å; S326-L330 WeakPolarHBondContact O-CG 3.41Å; S326-L330 PolarHBondContact O-N 2.88Å
327A87.1Confident82.2Confident34 Ų3454.5 Ų54.528%0.28129%0.289SS..Hα-helixtrans-64.8-44.7174.200000112D324 L329 L330 Q331D324-A327 HydrophobicContact CB-CB 4.08Å; D324-A327 PolarHBondContact O-N 3.44Å; D324-A327 PolarHBondContact OD1-N 3.45Å; D324-A327 VanDerWaalsContact OD2-CB 3.32Å; D324-A327 WeakPolarHBondContact OD2-CB 3.33Å; A327-L329 PolarHBondContact O-N 2.88Å; A327-L330 PolarHBondContact O-N 2.91Å; A327-Q331 WeakPolarHBondContact O-CG 3.48Å; A327-Q331 PolarHBondContact O-N 2.9Å
328T86.1Confident82.8Confident31 Ų3155.5 Ų55.519%0.1929%0.294CS..Hα-helixtrans-59.5-46178.3-59.60000111.6V322 D324 L330 Q331 L332V322-T328 HydrophobicContact CG1-CG2 4.44Å; V322-T328 HydrophobicContact CG2-CG2 4.47Å; D324-T328 WeakPolarHBondContact O-CB 3.29Å; D324-T328 PolarHBondContact O-N 2.92Å; D324-T328 PolarHBondContact O-OG1 3.48Å; T328-L330 PolarHBondContact O-N 3.3Å; T328-Q331 PolarHBondContact O-N 3.21Å; T328-L332 HydrophobicContact CG2-CD1 4.04Å; T328-L332 HydrophobicContact CG2-CG 4.45Å; T328-L332 WeakPolarHBondContact O-CG 3.45Å; T328-L332 PolarHBondContact O-N 2.98Å
329L88.7Confident83.5Confident0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-60.8-45.4177.6179.761.2000112.1Q325 A327 Q331 L332 I333 L456 Y634 L639 L643Q325-L329 WeakPolarHBondContact O-CB 3.28Å; Q325-L329 PolarHBondContact O-N 3.32Å; A327-L329 PolarHBondContact O-N 2.88Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-Q331 PolarHBondContact O-N 2.94Å; L329-L332 PolarHBondContact O-N 3.28Å; L329-I333 HydrophobicContact CD1-CD1 3.78Å; L329-I333 HydrophobicContact CD1-CG1 4.09Å; L329-I333 HydrophobicContact CD2-CD1 4.44Å; L329-I333 HydrophobicContact CG-CD1 3.8Å; L329-I333 HydrophobicContact CG-CG1 4.46Å; L329-I333 WeakPolarHBondContact O-CB 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.31Å; L329-I333 PolarHBondContact O-N 3.31Å; L329-L456 HydrophobicContact CD1-CD1 3.35Å; L329-L456 HydrophobicContact CD1-CD2 3.69Å; L329-L456 HydrophobicContact CD1-CG 4.18Å; L329-Y634 HydrophobicContact CD2-CD2 4.2Å; L329-L639 HydrophobicContact CD2-CD2 3.34Å; L329-L643 HydrophobicContact CB-CD1 4.43Å
330L89.6Confident84.5Confident56 Ų5653.8 Ų53.829%0.29328%0.284SS..Hα-helixtrans-64-38.3178.7-72.4172.8000112.3S326 A327 T328 T334 V630 Y634S326-L330 WeakPolarHBondContact O-CG 3.41Å; S326-L330 PolarHBondContact O-N 2.88Å; A327-L330 PolarHBondContact O-N 2.91Å; T328-L330 PolarHBondContact O-N 3.3Å; L330-T334 VanDerWaalsContact O-CB 3.22Å; L330-T334 WeakPolarHBondContact O-CB 3.26Å; L330-T334 PolarHBondContact O-N 3.23Å; L330-T334 PolarHBondContact O-OG1 3.42Å; L330-V630 HydrophobicContact CD2-CG1 4.23Å; L330-V630 HydrophobicContact CD2-CG2 4.07Å; L330-Y634 HydrophobicContact CD1-CD2 4.27Å; L330-Y634 HydrophobicContact CD1-CE2 3.64Å; L330-Y634 HydrophobicContact CD2-CD2 3.7Å; L330-Y634 HydrophobicContact CD2-CE2 3.95Å; L330-Y634 HydrophobicContact CD2-CG 4.17Å; L330-Y634 HydrophobicContact CG-CD2 3.76Å; L330-Y634 HydrophobicContact CG-CE2 3.58Å
331Q87.7Confident85.6Confident116 Ų11647.1 Ų47.154%0.54226%0.255SS..Hα-helixtrans-63.9-46.3174.6-73.1177.61000111.7A327 T328 L329 T334 K335A327-Q331 WeakPolarHBondContact O-CG 3.48Å; A327-Q331 PolarHBondContact O-N 2.9Å; T328-Q331 PolarHBondContact O-N 3.21Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-Q331 PolarHBondContact O-N 2.94Å; Q331-T334 PolarHBondContact O-N 3.49Å; Q331-K335 WeakPolarHBondContact O-CB 3.29Å; Q331-K335 WeakPolarHBondContact O-CG 3.42Å; Q331-K335 PolarHBondContact O-N 2.97Å
332L87.9Confident86.7Confident8 Ų845 Ų454%0.04224%0.239CC..Hα-helixtrans-64.1-45.6179-68.2173.5000112.1T328 L329 T334 K335 F336 E449 L450 F453 L456 L643T328-L332 HydrophobicContact CG2-CD1 4.04Å; T328-L332 HydrophobicContact CG2-CG 4.45Å; T328-L332 WeakPolarHBondContact O-CG 3.45Å; T328-L332 PolarHBondContact O-N 2.98Å; L329-L332 PolarHBondContact O-N 3.28Å; L332-T334 VanDerWaalsContact C-N 3.34Å; L332-T334 PolarHBondContact O-N 3.41Å; L332-K335 PolarHBondContact O-N 2.93Å; L332-F336 WeakPolarHBondContact O-CB 3.32Å; L332-F336 PolarHBondContact O-N 2.96Å; L332-E449 HydrophobicContact CD2-CB 3.89Å; L332-E449 WeakPolarHBondContact CD2-OE2 3.4Å; L332-L450 HydrophobicContact CD2-CG 4.39Å; L332-F453 HydrophobicContact CD1-CD2 3.73Å; L332-F453 HydrophobicContact CD1-CE2 3.79Å; L332-L456 HydrophobicContact CB-CD2 4.26Å; L332-L456 HydrophobicContact CD1-CD2 3.69Å; L332-L643 HydrophobicContact CD1-CD2 4.37Å
333I90.1Very high87.7Confident0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-61-43.8175.4-70.3171.9000110.9L329 F336 A337 L629 V630 L633L329-I333 HydrophobicContact CD1-CD1 3.78Å; L329-I333 HydrophobicContact CD1-CG1 4.09Å; L329-I333 HydrophobicContact CD2-CD1 4.44Å; L329-I333 HydrophobicContact CG-CD1 3.8Å; L329-I333 HydrophobicContact CG-CG1 4.46Å; L329-I333 WeakPolarHBondContact O-CB 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.31Å; L329-I333 PolarHBondContact O-N 3.31Å; I333-F336 PolarHBondContact O-N 3.27Å; I333-A337 WeakPolarHBondContact O-CB 3.26Å; I333-A337 PolarHBondContact O-N 3.19Å; I333-L629 HydrophobicContact CG2-CB 3.67Å; I333-L629 HydrophobicContact CG2-CD1 4.21Å; I333-V630 HydrophobicContact CG2-CG2 3.95Å; I333-L633 HydrophobicContact CD1-CB 3.92Å; I333-L633 HydrophobicContact CD1-CD1 4.03Å; I333-L633 HydrophobicContact CG1-CD1 4.34Å
334T90.3Very high88.7Confident52 Ų5235.8 Ų35.832%0.31919%0.194SC..Hα-helixtrans-68-43.9-179-57.90000111.5L330 Q331 L332 F336 A337 T338 Q626L330-T334 VanDerWaalsContact O-CB 3.22Å; L330-T334 WeakPolarHBondContact O-CB 3.26Å; L330-T334 PolarHBondContact O-N 3.23Å; L330-T334 PolarHBondContact O-OG1 3.42Å; Q331-T334 PolarHBondContact O-N 3.49Å; L332-T334 VanDerWaalsContact C-N 3.34Å; L332-T334 PolarHBondContact O-N 3.41Å; T334-F336 PolarHBondContact O-N 3.38Å; T334-A337 PolarHBondContact O-N 3.29Å; T334-T338 WeakPolarHBondContact O-CB 3.48Å; T334-T338 PolarHBondContact O-N 3.19Å; T334-T338 PolarHBondContact O-OG1 2.69Å; T334-Q626 PolarHBondContact OG1-NE2 3.44Å
335K88.2Confident89.1Confident96 Ų9637 Ų3742%0.41720%0.197SC..Hα-helixtrans-55.6-50.8172.4-77.9-179.7-177.7177.90110.9Q331 L332 T338 E339 E449Q331-K335 WeakPolarHBondContact O-CB 3.29Å; Q331-K335 WeakPolarHBondContact O-CG 3.42Å; Q331-K335 PolarHBondContact O-N 2.97Å; L332-K335 PolarHBondContact O-N 2.93Å; K335-T338 PolarHBondContact O-N 2.95Å; K335-E339 WeakPolarHBondContact O-CG 3.5Å; K335-E339 PolarHBondContact O-N 3.29Å; K335-E449 IonicContact NZ-OE1 2.89Å; K335-E449 PolarHBondContact NZ-OE1 3Å; K335-E449 IonicContact NZ-OE2 2.77Å; K335-E449 PolarHBondContact NZ-OE2 2.89Å
336F89.9Confident89.3Confident6 Ų636 Ų363%0.02621%0.206CC..Hα-helixtrans-59.9-49.3179.3174.9-89.2000112.1L332 I333 T334 T338 E339 Y340 I439 C442 L450 I460 V464 L629L332-F336 WeakPolarHBondContact O-CB 3.32Å; L332-F336 PolarHBondContact O-N 2.96Å; I333-F336 PolarHBondContact O-N 3.27Å; T334-F336 PolarHBondContact O-N 3.38Å; F336-T338 VanDerWaalsContact C-N 3.34Å; F336-T338 PolarHBondContact O-N 3.22Å; F336-E339 PolarHBondContact O-N 3.35Å; F336-Y340 HydrophobicContact CZ-CD2 4.33Å; F336-Y340 WeakPolarHBondContact O-CB 3.46Å; F336-Y340 PolarHBondContact O-N 3.38Å; F336-I439 HydrophobicContact CZ-CG2 4.42Å; F336-C442 HydrophobicContact CE2-CB 4.05Å; F336-L450 HydrophobicContact CB-CD1 4.32Å; F336-I460 HydrophobicContact CD1-CG2 3.67Å; F336-I460 HydrophobicContact CD2-CG2 4.11Å; F336-I460 HydrophobicContact CE1-CG2 3.51Å; F336-I460 HydrophobicContact CE2-CG2 3.93Å; F336-I460 HydrophobicContact CG-CG2 3.98Å; F336-I460 HydrophobicContact CZ-CG2 3.64Å; F336-V464 HydrophobicContact CE1-CG2 3.87Å; F336-V464 HydrophobicContact CZ-CG2 4.24Å; F336-L629 HydrophobicContact CD1-CD1 3.86Å; F336-L629 HydrophobicContact CE1-CD1 4.13Å
337A91.3Very high89.3Confident4 Ų438.5 Ų38.53%0.03322%0.22CC..Hα-helixtrans-62.9-40.2-179.600000112.1I333 T334 C341 L625 Q626I333-A337 WeakPolarHBondContact O-CB 3.26Å; I333-A337 PolarHBondContact O-N 3.19Å; T334-A337 PolarHBondContact O-N 3.29Å; A337-C341 WeakPolarHBondContact O-CB 3.45Å; A337-C341 PolarHBondContact O-N 2.7Å; A337-C341 PolarHBondContact O-SG 3.18Å; A337-L625 HydrophobicContact CB-CD2 4.23Å; A337-L625 HydrophobicContact CB-CG 4.36Å; A337-Q626 HydrophobicContact CB-CB 4.09Å; A337-Q626 HydrophobicContact CB-CG 4.32Å
338T90.4Very high88.9Confident64 Ų6437.5 Ų37.539%0.39321%0.211SC..Hα-helixtrans-62.7-50.8174.8-62.90000111.6T334 K335 F336 Y340 C341 N342T334-T338 WeakPolarHBondContact O-CB 3.48Å; T334-T338 PolarHBondContact O-N 3.19Å; T334-T338 PolarHBondContact O-OG1 2.69Å; K335-T338 PolarHBondContact O-N 2.95Å; F336-T338 VanDerWaalsContact C-N 3.34Å; F336-T338 PolarHBondContact O-N 3.22Å; T338-Y340 PolarHBondContact O-N 2.97Å; T338-C341 PolarHBondContact O-N 3.2Å; T338-N342 WeakPolarHBondContact O-CB 3.15Å; T338-N342 PolarHBondContact O-N 2.91Å; T338-N342 PolarHBondContact O-ND2 2.99Å; T338-N342 PolarHBondContact O-OD1 3.31Å
339E88.3Confident88.3Confident19 Ų1943.5 Ų43.59%0.08924%0.235CC..Hα-helixtrans-66.4-36.1-179.3-64.3-62.9162.700112.2K335 F336 C341 N342 T343 K349K335-E339 WeakPolarHBondContact O-CG 3.5Å; K335-E339 PolarHBondContact O-N 3.29Å; F336-E339 PolarHBondContact O-N 3.35Å; E339-C341 PolarHBondContact O-N 2.75Å; E339-N342 PolarHBondContact O-N 3.49Å; E339-T343 PolarHBondContact O-N 3.4Å; E339-T343 PolarHBondContact O-OG1 3.07Å; E339-K349 IonicContact OE1-NZ 2.61Å; E339-K349 PolarHBondContact OE1-NZ 2.69Å
340Y90.8Very high87.3Confident0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-60.3-46.1173.2-176.3-88.7000112.2F336 T338 T343 I344 M435 I438 I439 V464 V621 L625F336-Y340 HydrophobicContact CZ-CD2 4.33Å; F336-Y340 WeakPolarHBondContact O-CB 3.46Å; F336-Y340 PolarHBondContact O-N 3.38Å; T338-Y340 PolarHBondContact O-N 2.97Å; Y340-T343 PolarHBondContact O-N 3.12Å; Y340-I344 HydrophobicContact CD1-CD1 3.77Å; Y340-I344 HydrophobicContact CE1-CD1 3.35Å; Y340-I344 HydrophobicContact CE1-CG1 4.46Å; Y340-I344 PolarHBondContact O-N 3.43Å; Y340-M435 HydrophobicContact CE1-CE 4.46Å; Y340-M435 PolarHBondContact OH-O 2.99Å; Y340-I438 HydrophobicContact CD2-CB 4.45Å; Y340-I438 HydrophobicContact CD2-CG2 3.6Å; Y340-I438 HydrophobicContact CE2-CB 4Å; Y340-I438 HydrophobicContact CE2-CG2 3.61Å; Y340-I438 HydrophobicContact CG-CG2 4.31Å; Y340-I439 HydrophobicContact CE2-CG1 3.76Å; Y340-V464 HydrophobicContact CE2-CG1 4.33Å; Y340-V621 HydrophobicContact CE1-CG1 4.11Å; Y340-L625 HydrophobicContact CD1-CD2 3.29Å; Y340-L625 HydrophobicContact CE1-CD2 3.9Å; Y340-L625 HydrophobicContact CG-CD2 3.75Å
341C91.8Very high86.4Confident20 Ų2053.3 Ų53.314%0.13528%0.277CS..Hα-helixtrans-62.7-42.5174.5-70.30000111.8A337 T338 E339 T343 I344 E345 K622A337-C341 WeakPolarHBondContact O-CB 3.45Å; A337-C341 PolarHBondContact O-N 2.7Å; A337-C341 PolarHBondContact O-SG 3.18Å; T338-C341 PolarHBondContact O-N 3.2Å; E339-C341 PolarHBondContact O-N 2.75Å; C341-T343 VanDerWaalsContact C-N 3.33Å; C341-T343 PolarHBondContact O-N 3.42Å; C341-I344 PolarHBondContact O-N 2.83Å; C341-E345 PolarHBondContact O-N 3.22Å; C341-K622 HydrophobicContact CB-CG 4.19Å; C341-K622 WeakPolarHBondContact SG-CG 3.48Å
342N90.6Very high85.5Confident35 Ų3551 Ų5119%0.18727%0.266CS..Hα-helixtrans-63.7-36.1177.4-63.7-15.1000112.2T338 E339 I344 E345 G346 T347 A348T338-N342 WeakPolarHBondContact O-CB 3.15Å; T338-N342 PolarHBondContact O-N 2.91Å; T338-N342 PolarHBondContact O-ND2 2.99Å; T338-N342 PolarHBondContact O-OD1 3.31Å; E339-N342 PolarHBondContact O-N 3.49Å; N342-I344 VanDerWaalsContact C-N 3.35Å; N342-E345 PolarHBondContact O-N 3.48Å; N342-G346 PolarHBondContact O-N 2.94Å; N342-T347 WeakPolarHBondContact CA-OG1 3.41Å; N342-T347 PolarHBondContact O-N 3.31Å; N342-T347 PolarHBondContact O-OG1 3.08Å; N342-A348 HydrophobicContact CB-CB 4.16Å; N342-A348 PolarHBondContact O-N 2.87Å
343T90.3Very high85Confident14 Ų1457.4 Ų57.49%0.08631%0.306CS..Hα-helixtrans-69-32176.1-56.30000112.2E339 Y340 C341 G359 I438E339-T343 PolarHBondContact O-N 3.4Å; E339-T343 PolarHBondContact O-OG1 3.07Å; Y340-T343 PolarHBondContact O-N 3.12Å; C341-T343 VanDerWaalsContact C-N 3.33Å; C341-T343 PolarHBondContact O-N 3.42Å; T343-G359 PolarHBondContact O-N 3.24Å; T343-G359 VanDerWaalsContact O-N 3.12Å; T343-I438 HydrophobicContact CG2-CG1 4.42Å; T343-I438 HydrophobicContact CG2-CG2 3.79Å
344I91.5Very high84.2Confident18 Ų1861.7 Ų61.79%0.09234%0.341CS..Hα-helixtrans-70.4-36170.9-67.9168.5000111.4Y340 C341 N342 G359 M435 I438 V618Y340-I344 HydrophobicContact CD1-CD1 3.77Å; Y340-I344 HydrophobicContact CE1-CD1 3.35Å; Y340-I344 HydrophobicContact CE1-CG1 4.46Å; Y340-I344 PolarHBondContact O-N 3.43Å; C341-I344 PolarHBondContact O-N 2.83Å; N342-I344 VanDerWaalsContact C-N 3.35Å; I344-G359 WeakPolarHBondContact O-CA 3.35Å; I344-M435 HydrophobicContact CD1-CE 3.75Å; I344-M435 HydrophobicContact CD1-SD 3.81Å; I344-M435 HydrophobicContact CG1-SD 4.17Å; I344-I438 HydrophobicContact CD1-CD1 4.49Å; I344-I438 HydrophobicContact CG1-CD1 3.63Å; I344-V618 HydrophobicContact CG2-CG1 3.69Å
345E90.2Very high83.9Confident105 Ų10565.1 Ų65.149%0.49135%0.354SS..Hα-helixtrans-80-18.8177.6-70.7-173.7166.200114.2C341 N342 T347 K622C341-E345 PolarHBondContact O-N 3.22Å; N342-E345 PolarHBondContact O-N 3.48Å; E345-T347 HydrophobicContact CB-CG2 4.12Å; E345-T347 PolarHBondContact OE2-OG1 3.4Å; E345-K622 VanDerWaalsContact OE1-CE 3.27Å; E345-K622 WeakPolarHBondContact OE1-CE 3.32Å; E345-K622 IonicContact OE1-NZ 3.56Å; E345-K622 PolarHBondContact OE1-NZ 3.24Å
346G87.3Confident83.7Confident48 Ų4864.2 Ų64.250%0.49535%0.353SS..THydrogen-bonded Turntrans79.119.4-170.900000113.9N342N342-G346 PolarHBondContact O-N 2.94Å
347T86.4Confident83.5Confident83 Ų8365.8 Ų65.851%0.50936%0.364SS..  trans-105.36.5-178.854.30000113.2N342 E345N342-T347 WeakPolarHBondContact CA-OG1 3.41Å; N342-T347 PolarHBondContact O-N 3.31Å; N342-T347 PolarHBondContact O-OG1 3.08Å; E345-T347 HydrophobicContact CB-CG2 4.12Å; E345-T347 PolarHBondContact OE2-OG1 3.4Å
348A80.1Confident83.3Confident12 Ų1265.7 Ų65.710%0.09936%0.363CS..  trans-61.5147.7179.900000112.7N342 Y350 I351N342-A348 HydrophobicContact CB-CB 4.16Å; N342-A348 PolarHBondContact O-N 2.87Å; A348-Y350 VanDerWaalsContact C-N 3.3Å; A348-Y350 PolarHBondContact O-N 2.65Å; A348-I351 WeakPolarHBondContact O-CG1 3.29Å
349K72.1Confident83.2Confident158 Ų15863.5 Ų63.569%0.68735%0.354SS*.SBendtrans-68.3-30180-64.5175.8-170.1123.60113.2E339E339-K349 IonicContact OE1-NZ 2.61Å; E339-K349 PolarHBondContact OE1-NZ 2.69Å
350Y67.7Low83.3Confident139 Ų13965.3 Ų65.355%0.54537%0.372SS..SBendtrans-109.8101.7178.8-63.1-80.7000107.9A348A348-Y350 VanDerWaalsContact C-N 3.3Å; A348-Y350 PolarHBondContact O-N 2.65Å
351I72.1Confident83.5Confident123 Ų12368.5 Ų68.563%0.63138%0.384SS*.  trans-101.8113.2175.5-57179000107.2A348A348-I351 WeakPolarHBondContact O-CG1 3.29Å
352E68.5Low83.6Confident66 Ų6667.8 Ų67.831%0.30838%0.379SS..  trans-70.8129.9174.7176.1163.4-152.800110.3A354 H441 Y445E352-A354 HydrophobicContact CG-CB 4.27Å; E352-H441 IonicContact OE2-CE1 3.13Å; E352-H441 PolarHBondContact OE2-CE1 3.49Å; E352-H441 IonicContact OE2-ND1 2.65Å; E352-H441 PolarHBondContact OE2-ND1 2.88Å; E352-H441 VanDerWaalsContact OE2-ND1 3.15Å; E352-Y445 PolarHBondContact OE1-OH 2.88Å
353T76.8Confident83.8Confident143 Ų14369.2 Ų69.288%0.87739%0.391SS*.SBendtrans-99.6-3.2-175.652.90000113.4
354A74.4Confident84.1Confident90 Ų9073 Ų7374%0.74440%0.404SS*.SBendtrans-87.9-41.8-17500000113.3E352E352-A354 HydrophobicContact CG-CB 4.27Å
355E82.4Confident84.3Confident124 Ų12472.5 Ų72.558%0.57940%0.401SS*.SBendtrans-131.2150.7178.9-176.1166.9-179.100111C357E355-C357 PolarHBondContact O-N 3.39Å
356L85.3Confident84.6Confident78 Ų7868.1 Ų68.141%0.40838%0.381SS..  trans-77.7105.7173.6-171.374.6000109.8A360 R361 Y364L356-A360 HydrophobicContact CD1-CB 3.61Å; L356-A360 HydrophobicContact CG-CB 4.32Å; L356-R361 HydrophobicContact CG-CB 4.25Å; L356-R361 VanDerWaalsContact O-CB 3.3Å; L356-R361 WeakPolarHBondContact O-CB 3.25Å; L356-R361 VanDerWaalsContact O-CD 3.31Å; L356-R361 WeakPolarHBondContact O-CD 3.46Å; L356-R361 VanDerWaalsContact O-CG 3.29Å; L356-R361 WeakPolarHBondContact O-CG 3.42Å; L356-Y364 HydrophobicContact CD2-CD2 4.22Å; L356-Y364 HydrophobicContact CD2-CG 4.06Å
357C85Confident84.8Confident39 Ų3971.5 Ų71.526%0.26438%0.384SS..  trans-117.1169.2178.264.50000113E355 E434E355-C357 PolarHBondContact O-N 3.39Å; C357-E434 WeakPolarHBondContact CA-OE1 3.33Å
358G87.3Confident85.2Confident1 Ų171.2 Ų71.21%0.0138%0.376CS..Hα-helixtrans68.2-141.8166.600000114.1A360 R361 I362 E434G358-A360 VanDerWaalsContact C-N 3.3Å; G358-A360 PolarHBondContact O-N 3Å; G358-R361 WeakPolarHBondContact O-CB 3.41Å; G358-R361 PolarHBondContact O-N 2.96Å; G358-I362 WeakPolarHBondContact O-CG1 3.41Å; G358-I362 PolarHBondContact O-N 2.95Å; G358-E434 PolarHBondContact N-OE1 3.47Å
359G88.9Confident85.8Confident19 Ų1972.7 Ų72.720%0.19638%0.384CS..Hα-helixtrans-54.1-41.9-176.900000114.7T343 I344 R361 I362 C363T343-G359 PolarHBondContact O-N 3.24Å; T343-G359 VanDerWaalsContact O-N 3.12Å; I344-G359 WeakPolarHBondContact O-CA 3.35Å; G359-R361 VanDerWaalsContact C-N 3.33Å; G359-R361 PolarHBondContact O-N 3.46Å; G359-I362 PolarHBondContact O-N 3.29Å; G359-C363 PolarHBondContact O-N 2.85Å
360A90.4Very high87Confident56 Ų5665.4 Ų65.446%0.46335%0.353SS..Hα-helixtrans-69-33.1179.900000112.1L356 G358 C363 Y364L356-A360 HydrophobicContact CD1-CB 3.61Å; L356-A360 HydrophobicContact CG-CB 4.32Å; G358-A360 VanDerWaalsContact C-N 3.3Å; G358-A360 PolarHBondContact O-N 3Å; A360-C363 WeakPolarHBondContact O-CB 3.35Å; A360-C363 PolarHBondContact O-N 3.02Å; A360-Y364 PolarHBondContact O-N 3.25Å
361R94.2Very high88.2Confident68 Ų6858.9 Ų58.926%0.25733%0.327SS..Hα-helixtrans-70.4-39.7174.2-173.750.5167.6-173.6-8.1112.5L356 G358 G359 C363 Y364 I365 E434L356-R361 HydrophobicContact CG-CB 4.25Å; L356-R361 VanDerWaalsContact O-CB 3.3Å; L356-R361 WeakPolarHBondContact O-CB 3.25Å; L356-R361 VanDerWaalsContact O-CD 3.31Å; L356-R361 WeakPolarHBondContact O-CD 3.46Å; L356-R361 VanDerWaalsContact O-CG 3.29Å; L356-R361 WeakPolarHBondContact O-CG 3.42Å; G358-R361 WeakPolarHBondContact O-CB 3.41Å; G358-R361 PolarHBondContact O-N 2.96Å; G359-R361 VanDerWaalsContact C-N 3.33Å; G359-R361 PolarHBondContact O-N 3.46Å; R361-C363 VanDerWaalsContact C-N 3.32Å; R361-C363 PolarHBondContact O-N 2.87Å; R361-Y364 WeakPolarHBondContact O-CB 3.49Å; R361-Y364 PolarHBondContact O-N 3.47Å; R361-I365 HydrophobicContact CG-CD1 4.43Å; R361-I365 WeakPolarHBondContact O-CG1 3.31Å; R361-I365 PolarHBondContact O-N 3.27Å; R361-E434 HydrophobicContact CB-CG 4.07Å; R361-E434 WeakPolarHBondContact CB-OE1 3.5Å; R361-E434 HydrophobicContact CG-CG 3.81Å; R361-E434 WeakPolarHBondContact CG-OE1 3.44Å; R361-E434 WeakPolarHBondContact CG-OE2 3.26Å
362I95.3Very high89.2Confident5 Ų560.3 Ų60.33%0.02633%0.325CS..Hα-helixtrans-59.9-43.9171.9-65.8170.5000110.2G358 G359 Y364 I365 F366 V431 E434 M435 I438 M614G358-I362 WeakPolarHBondContact O-CG1 3.41Å; G358-I362 PolarHBondContact O-N 2.95Å; G359-I362 PolarHBondContact O-N 3.29Å; I362-Y364 PolarHBondContact O-N 2.98Å; I362-I365 PolarHBondContact O-N 3.41Å; I362-F366 HydrophobicContact CG2-CD2 3.95Å; I362-F366 HydrophobicContact CG2-CE2 3.36Å; I362-F366 HydrophobicContact CG2-CZ 3.85Å; I362-F366 WeakPolarHBondContact O-CD2 3.17Å; I362-F366 PolarHBondContact O-N 2.94Å; I362-F366 VanDerWaalsContact O-N 3.08Å; I362-V431 HydrophobicContact CG1-CG1 4.4Å; I362-V431 HydrophobicContact CG2-CG1 4.26Å; I362-V431 HydrophobicContact CG2-CG2 4.41Å; I362-E434 HydrophobicContact CG1-CB 4.36Å; I362-E434 HydrophobicContact CG1-CG 3.87Å; I362-M435 HydrophobicContact CD1-CG 4.43Å; I362-M435 HydrophobicContact CD1-SD 3.87Å; I362-I438 HydrophobicContact CD1-CD1 4.39Å; I362-M614 HydrophobicContact CG2-SD 4.43Å
363C94.7Very high90.4Very high65 Ų6560 Ų6044%0.43933%0.327SS..Hα-helixtrans-60.5-41.9175.1-170.70000112.6G359 A360 R361 F366 H367G359-C363 PolarHBondContact O-N 2.85Å; A360-C363 WeakPolarHBondContact O-CB 3.35Å; A360-C363 PolarHBondContact O-N 3.02Å; R361-C363 VanDerWaalsContact C-N 3.32Å; R361-C363 PolarHBondContact O-N 2.87Å; C363-F366 PolarHBondContact O-N 3.36Å; C363-H367 PolarHBondContact O-N 3.3Å; C363-H367 VanDerWaalsContact O-N 3.09Å; C363-H367 PolarHBondContact O-ND1 3.28Å; C363-H367 PolarHBondContact SG-ND1 3.44Å
364Y95.6Very high91.2Very high93 Ų9353.1 Ų53.137%0.36529%0.285SS..Hα-helixtrans-63-39.5173.9-178.7-85.2000112.5L356 A360 R361 I362 E368 T369L356-Y364 HydrophobicContact CD2-CD2 4.22Å; L356-Y364 HydrophobicContact CD2-CG 4.06Å; A360-Y364 PolarHBondContact O-N 3.25Å; R361-Y364 WeakPolarHBondContact O-CB 3.49Å; R361-Y364 PolarHBondContact O-N 3.47Å; I362-Y364 PolarHBondContact O-N 2.98Å; Y364-E368 HydrophobicContact CD1-CB 4.29Å; Y364-E368 HydrophobicContact CD2-CB 3.71Å; Y364-E368 HydrophobicContact CD2-CG 3.69Å; Y364-E368 HydrophobicContact CE1-CB 4.15Å; Y364-E368 HydrophobicContact CE2-CB 3.55Å; Y364-E368 HydrophobicContact CE2-CG 3.72Å; Y364-E368 HydrophobicContact CG-CB 4.07Å; Y364-E368 HydrophobicContact CG-CG 4.39Å; Y364-E368 WeakPolarHBondContact O-CA 3.49Å; Y364-E368 WeakPolarHBondContact O-CB 3.48Å; Y364-E368 PolarHBondContact O-N 3Å; Y364-T369 WeakPolarHBondContact CE1-OG1 3.44Å; Y364-T369 PolarHBondContact O-N 3.1Å; Y364-T369 VanDerWaalsContact O-N 3.09Å
365I96.3Very high92Very high7 Ų754 Ų544%0.03627%0.274CS..Iπ-helixtrans-61.1-46.7175.7-69.2162000110.2R361 I362 T369 F370 L430 V431 E434R361-I365 HydrophobicContact CG-CD1 4.43Å; R361-I365 WeakPolarHBondContact O-CG1 3.31Å; R361-I365 PolarHBondContact O-N 3.27Å; I362-I365 PolarHBondContact O-N 3.41Å; I365-T369 WeakPolarHBondContact O-CB 3.3Å; I365-T369 PolarHBondContact O-N 3.2Å; I365-F370 WeakPolarHBondContact O-CB 3.3Å; I365-F370 PolarHBondContact O-N 3.18Å; I365-L430 HydrophobicContact CD1-CB 4.35Å; I365-L430 HydrophobicContact CG2-CB 3.86Å; I365-L430 HydrophobicContact CG2-CD1 4.41Å; I365-V431 HydrophobicContact CB-CG2 4.41Å; I365-V431 HydrophobicContact CG2-CG2 3.83Å; I365-E434 HydrophobicContact CD1-CB 4.01Å; I365-E434 HydrophobicContact CD1-CG 4.43Å
366F96.2Very high92.5Very high13 Ų1352.7 Ų52.76%0.05728%0.278CS..Iπ-helixtrans-65.7-44.7-179.3-65.9-41.6000113.9I362 C363 G371 V431 P610 V613 M614I362-F366 HydrophobicContact CG2-CD2 3.95Å; I362-F366 HydrophobicContact CG2-CE2 3.36Å; I362-F366 HydrophobicContact CG2-CZ 3.85Å; I362-F366 WeakPolarHBondContact O-CD2 3.17Å; I362-F366 PolarHBondContact O-N 2.94Å; I362-F366 VanDerWaalsContact O-N 3.08Å; C363-F366 PolarHBondContact O-N 3.36Å; F366-G371 PolarHBondContact O-N 3.05Å; F366-V431 HydrophobicContact CD1-CG2 4.36Å; F366-V431 HydrophobicContact CE1-CG2 3.68Å; F366-V431 HydrophobicContact CZ-CG2 3.95Å; F366-P610 HydrophobicContact CB-CB 4.1Å; F366-P610 HydrophobicContact CB-CG 4.05Å; F366-P610 HydrophobicContact CD1-CB 3.63Å; F366-P610 HydrophobicContact CD1-CG 3.84Å; F366-P610 HydrophobicContact CD2-CB 4.05Å; F366-P610 HydrophobicContact CE1-CB 3.97Å; F366-P610 HydrophobicContact CE1-CG 4.5Å; F366-P610 HydrophobicContact CE2-CB 4.35Å; F366-P610 HydrophobicContact CG-CB 3.68Å; F366-P610 HydrophobicContact CG-CG 4.04Å; F366-P610 HydrophobicContact CZ-CB 4.32Å; F366-V613 HydrophobicContact CE1-CB 3.95Å; F366-V613 HydrophobicContact CE1-CG1 4.01Å; F366-V613 HydrophobicContact CE1-CG2 4.42Å; F366-V613 HydrophobicContact CZ-CB 3.96Å; F366-V613 HydrophobicContact CZ-CG1 3.86Å; F366-M614 HydrophobicContact CE2-CG 3.77Å; F366-M614 HydrophobicContact CE2-SD 3.81Å; F366-M614 HydrophobicContact CZ-CG 4.07Å; F366-M614 HydrophobicContact CZ-SD 4.27Å
367H92.2Very high92.9Very high120 Ų12049.7 Ų49.756%0.55626%0.263SS*.Iπ-helixtrans-92.8-53.4-172.7-59.490.4000112.5C363 G371C363-H367 PolarHBondContact O-N 3.3Å; C363-H367 VanDerWaalsContact O-N 3.09Å; C363-H367 PolarHBondContact O-ND1 3.28Å; C363-H367 PolarHBondContact SG-ND1 3.44Å; H367-G371 WeakPolarHBondContact O-CA 3.49Å; H367-G371 PolarHBondContact O-N 3.37Å
368E93.3Very high93.1Very high77 Ų7751.8 Ų51.836%0.3627%0.272SS..Iπ-helixtrans-84.9-30.8-172.1-64.3-63.2160.400113.2Y364 R372Y364-E368 HydrophobicContact CD1-CB 4.29Å; Y364-E368 HydrophobicContact CD2-CB 3.71Å; Y364-E368 HydrophobicContact CD2-CG 3.69Å; Y364-E368 HydrophobicContact CE1-CB 4.15Å; Y364-E368 HydrophobicContact CE2-CB 3.55Å; Y364-E368 HydrophobicContact CE2-CG 3.72Å; Y364-E368 HydrophobicContact CG-CB 4.07Å; Y364-E368 HydrophobicContact CG-CG 4.39Å; Y364-E368 WeakPolarHBondContact O-CA 3.49Å; Y364-E368 WeakPolarHBondContact O-CB 3.48Å; Y364-E368 PolarHBondContact O-N 3Å; E368-R372 WeakPolarHBondContact O-CB 3.3Å; E368-R372 WeakPolarHBondContact O-CD 3.35Å; E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-NE 2.94Å; E368-R372 IonicContact OE2-CZ 3.73Å; E368-R372 IonicContact OE2-NE 3.71Å; E368-R372 PolarHBondContact OE2-NE 3.42Å; E368-R372 IonicContact OE2-NH2 3.03Å; E368-R372 PolarHBondContact OE2-NH2 2.87Å
369T94Very high93.2Very high43 Ų4352.3 Ų52.326%0.26428%0.275SS..Iπ-helixtrans-92.8-59.2179.7-50.30000111.3Y364 I365 T373 L430Y364-T369 WeakPolarHBondContact CE1-OG1 3.44Å; Y364-T369 PolarHBondContact O-N 3.1Å; Y364-T369 VanDerWaalsContact O-N 3.09Å; I365-T369 WeakPolarHBondContact O-CB 3.3Å; I365-T369 PolarHBondContact O-N 3.2Å; T369-T373 VanDerWaalsContact O-CB 3.27Å; T369-T373 WeakPolarHBondContact O-CB 3.42Å; T369-T373 PolarHBondContact O-N 3.15Å; T369-T373 PolarHBondContact O-OG1 3.31Å; T369-L430 HydrophobicContact CG2-CD1 3.99Å
370F96Very high93.2Very high5 Ų553.5 Ų53.52%0.02228%0.277CS..Iπ-helixtrans-69.8-45.9-177.5174.9-119.4000112.2I365 R372 T373 L374 C427 I605 V609 P610I365-F370 WeakPolarHBondContact O-CB 3.3Å; I365-F370 PolarHBondContact O-N 3.18Å; F370-R372 PolarHBondContact O-N 3.05Å; F370-T373 WeakPolarHBondContact O-CB 3.37Å; F370-T373 PolarHBondContact O-N 3.41Å; F370-L374 HydrophobicContact CD1-CD1 4.44Å; F370-L374 HydrophobicContact CD2-CD1 4.44Å; F370-L374 HydrophobicContact CD2-CD2 4.43Å; F370-L374 HydrophobicContact CD2-CG 4.08Å; F370-L374 HydrophobicContact CE1-CD1 3.79Å; F370-L374 HydrophobicContact CE1-CG 4.43Å; F370-L374 HydrophobicContact CE2-CD1 3.77Å; F370-L374 HydrophobicContact CE2-CD2 3.76Å; F370-L374 HydrophobicContact CE2-CG 3.67Å; F370-L374 HydrophobicContact CZ-CD1 3.43Å; F370-L374 VanDerWaalsContact CZ-CD1 3.43Å; F370-L374 HydrophobicContact CZ-CD2 4.21Å; F370-L374 HydrophobicContact CZ-CG 3.91Å; F370-L374 PolarHBondContact O-N 3.32Å; F370-C427 HydrophobicContact CB-CB 4.16Å; F370-C427 HydrophobicContact CD2-CB 3.62Å; F370-C427 HydrophobicContact CE2-CB 4.11Å; F370-C427 HydrophobicContact CG-CB 3.89Å; F370-I605 HydrophobicContact CZ-CG2 4.34Å; F370-V609 HydrophobicContact CE1-CB 3.87Å; F370-V609 HydrophobicContact CE1-CG1 4.09Å; F370-V609 HydrophobicContact CZ-CB 3.78Å; F370-V609 HydrophobicContact CZ-CG1 3.86Å; F370-V609 HydrophobicContact CZ-CG2 4.14Å; F370-P610 HydrophobicContact CD1-CG 4.26Å; F370-P610 HydrophobicContact CE1-CG 4.28Å
371G92.8Very high92.9Very high1 Ų151.4 Ų51.41%0.0126%0.261CS..Iπ-helixtrans-54.3-54.6175.200000113F366 H367 T373 L374 E375F366-G371 PolarHBondContact O-N 3.05Å; H367-G371 WeakPolarHBondContact O-CA 3.49Å; H367-G371 PolarHBondContact O-N 3.37Å; G371-T373 VanDerWaalsContact C-N 3.29Å; G371-T373 PolarHBondContact O-N 3.03Å; G371-L374 PolarHBondContact O-N 3.01Å; G371-E375 WeakPolarHBondContact O-CB 3.48Å; G371-E375 WeakPolarHBondContact O-CG 3.28Å; G371-E375 PolarHBondContact O-N 2.77Å
372R93.5Very high92.4Very high154 Ų15451.2 Ų51.258%0.58128%0.28SS*.Hα-helixtrans-60.5-36.9176.4-64.9-174.1-167.4-161.6-0.4112.9E368 F370 E375 S376E368-R372 WeakPolarHBondContact O-CB 3.3Å; E368-R372 WeakPolarHBondContact O-CD 3.35Å; E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-NE 2.94Å; E368-R372 IonicContact OE2-CZ 3.73Å; E368-R372 IonicContact OE2-NE 3.71Å; E368-R372 PolarHBondContact OE2-NE 3.42Å; E368-R372 IonicContact OE2-NH2 3.03Å; E368-R372 PolarHBondContact OE2-NH2 2.87Å; F370-R372 PolarHBondContact O-N 3.05Å; R372-E375 PolarHBondContact O-N 3.47Å; R372-S376 PolarHBondContact O-N 3.3Å
373T94.6Very high92Very high58 Ų5851.9 Ų51.936%0.35628%0.283SS..Hα-helixtrans-64.9-47.9178.2-61.50000110.7T369 F370 G371 E375 S376 V377 P423T369-T373 VanDerWaalsContact O-CB 3.27Å; T369-T373 WeakPolarHBondContact O-CB 3.42Å; T369-T373 PolarHBondContact O-N 3.15Å; T369-T373 PolarHBondContact O-OG1 3.31Å; F370-T373 WeakPolarHBondContact O-CB 3.37Å; F370-T373 PolarHBondContact O-N 3.41Å; G371-T373 VanDerWaalsContact C-N 3.29Å; G371-T373 PolarHBondContact O-N 3.03Å; T373-E375 PolarHBondContact O-N 2.92Å; T373-S376 PolarHBondContact O-N 3.13Å; T373-S376 PolarHBondContact O-OG 2.86Å; T373-V377 PolarHBondContact O-N 3.49Å; T373-P423 HydrophobicContact CG2-CB 3.77Å
374L93Very high91.7Very high0 Ų051.2 Ų51.20%028%0.279CS..Hα-helixtrans-61.2-43.4173.2-68.6-169000111.7F370 G371 S376 V377 L420 P423 R602 I605 Q606F370-L374 HydrophobicContact CD1-CD1 4.44Å; F370-L374 HydrophobicContact CD2-CD1 4.44Å; F370-L374 HydrophobicContact CD2-CD2 4.43Å; F370-L374 HydrophobicContact CD2-CG 4.08Å; F370-L374 HydrophobicContact CE1-CD1 3.79Å; F370-L374 HydrophobicContact CE1-CG 4.43Å; F370-L374 HydrophobicContact CE2-CD1 3.77Å; F370-L374 HydrophobicContact CE2-CD2 3.76Å; F370-L374 HydrophobicContact CE2-CG 3.67Å; F370-L374 HydrophobicContact CZ-CD1 3.43Å; F370-L374 VanDerWaalsContact CZ-CD1 3.43Å; F370-L374 HydrophobicContact CZ-CD2 4.21Å; F370-L374 HydrophobicContact CZ-CG 3.91Å; F370-L374 PolarHBondContact O-N 3.32Å; G371-L374 PolarHBondContact O-N 3.01Å; L374-S376 PolarHBondContact O-N 2.98Å; L374-V377 WeakPolarHBondContact O-CB 3.36Å; L374-V377 PolarHBondContact O-N 3.11Å; L374-L420 HydrophobicContact CD2-CD2 4.02Å; L374-P423 HydrophobicContact CD2-CB 4.06Å; L374-P423 HydrophobicContact CD2-CG 3.7Å; L374-R602 HydrophobicContact CB-CG 4.2Å; L374-R602 WeakPolarHBondContact O-CD 3.49Å; L374-R602 PolarHBondContact O-NH1 3.04Å; L374-I605 HydrophobicContact CD1-CG2 4.16Å; L374-Q606 HydrophobicContact CD1-CB 3.78Å; L374-Q606 HydrophobicContact CD1-CG 4.29Å
375E92.1Very high91.2Very high109 Ų10949.4 Ų49.451%0.50928%0.278SS..Hα-helixtrans-57.7-35.3178-77.7174.3-16700112.9G371 R372 T373 V377 R602G371-E375 WeakPolarHBondContact O-CB 3.48Å; G371-E375 WeakPolarHBondContact O-CG 3.28Å; G371-E375 PolarHBondContact O-N 2.77Å; R372-E375 PolarHBondContact O-N 3.47Å; T373-E375 PolarHBondContact O-N 2.92Å; E375-V377 VanDerWaalsContact C-N 3.29Å; E375-V377 PolarHBondContact O-N 3.31Å; E375-R602 PolarHBondContact O-NH1 2.77Å
376S92.6Very high90.7Very high95 Ų9552.8 Ų52.866%0.66430%0.295SS*.Hα-helixtrans-72.4-15.1175.680.70000114.7R372 T373 L374 D378R372-S376 PolarHBondContact O-N 3.3Å; T373-S376 PolarHBondContact O-N 3.13Å; T373-S376 PolarHBondContact O-OG 2.86Å; L374-S376 PolarHBondContact O-N 2.98Å; S376-D378 PolarHBondContact O-N 3.15Å; S376-D378 VanDerWaalsContact O-N 3.07Å
377V92.3Very high90.2Very high16 Ų1655.6 Ų55.610%0.09731%0.311CS..SBendtrans-72.5103.1173.4-172.50000109.2T373 L374 E375 R419 L420 F598 R602T373-V377 PolarHBondContact O-N 3.49Å; L374-V377 WeakPolarHBondContact O-CB 3.36Å; L374-V377 PolarHBondContact O-N 3.11Å; E375-V377 VanDerWaalsContact C-N 3.29Å; E375-V377 PolarHBondContact O-N 3.31Å; V377-R419 HydrophobicContact CG1-CB 4.47Å; V377-L420 HydrophobicContact CB-CD2 4.32Å; V377-L420 HydrophobicContact CG1-CD2 4.24Å; V377-L420 HydrophobicContact CG2-CD2 4.43Å; V377-F598 HydrophobicContact CB-CZ 4.44Å; V377-F598 HydrophobicContact CG1-CZ 3.86Å; V377-R602 PolarHBondContact O-NH1 3.34Å
378D89.8Confident90Very high83 Ų8349.9 Ų49.944%0.44429%0.285SS..  trans-61.8123177.3176.711.8000111.7S376 L380 G381 R419S376-D378 PolarHBondContact O-N 3.15Å; S376-D378 VanDerWaalsContact O-N 3.07Å; D378-L380 PolarHBondContact O-N 3.15Å; D378-L380 PolarHBondContact OD1-N 3.27Å; D378-G381 PolarHBondContact O-N 3.29Å; D378-G381 WeakPolarHBondContact OD2-CA 3.31Å; D378-G381 PolarHBondContact OD2-N 3.42Å; D378-R419 PolarHBondContact O-NH1 3.49Å
379P89.2Confident89.7Confident11 Ų1146.3 Ų46.37%0.07127%0.268CS..THydrogen-bonded Turntrans-54.6-26.6174.118.3-32000115.2Q416 K595 F598P379-Q416 WeakPolarHBondContact O-CG 3.43Å; P379-K595 HydrophobicContact CB-CB 4.33Å; P379-K595 HydrophobicContact CB-CG 4.11Å; P379-K595 HydrophobicContact CG-CD 4.33Å; P379-K595 HydrophobicContact CG-CG 3.9Å; P379-F598 HydrophobicContact CB-CB 4.32Å; P379-F598 HydrophobicContact CB-CD1 3.52Å; P379-F598 HydrophobicContact CB-CE1 4.03Å; P379-F598 HydrophobicContact CB-CG 4.11Å
380L89.3Confident89.4Confident44 Ų4446.8 Ų46.823%0.2327%0.271CS..THydrogen-bonded Turntrans-109.57.6179.4-60.9177.7000112.5D378 G382 L383 E591 I594D378-L380 PolarHBondContact O-N 3.15Å; D378-L380 PolarHBondContact OD1-N 3.27Å; L380-G382 PolarHBondContact O-N 3.36Å; L380-L383 PolarHBondContact O-N 3.04Å; L380-E591 HydrophobicContact CD1-CB 4.32Å; L380-E591 HydrophobicContact CD2-CB 4.39Å; L380-I594 HydrophobicContact CD2-CB 4.28Å; L380-I594 HydrophobicContact CD2-CG2 4.03Å
381G84.5Confident88.9Confident13 Ų1347.5 Ų47.513%0.13428%0.277CS..THydrogen-bonded Turntrans-58.9120.9-176.300000112.1D378 L383 Q416 R419D378-G381 PolarHBondContact O-N 3.29Å; D378-G381 WeakPolarHBondContact OD2-CA 3.31Å; D378-G381 PolarHBondContact OD2-N 3.42Å; G381-L383 VanDerWaalsContact C-N 3.34Å; G381-Q416 PolarHBondContact O-NE2 3.44Å; G381-R419 PolarHBondContact O-NH1 2.67Å
382G83.1Confident88.6Confident63 Ų6348.2 Ų48.265%0.64928%0.281SS*.THydrogen-bonded Turntrans73.221.5-177.900000114.9L380L380-G382 PolarHBondContact O-N 3.36Å
383L87.8Confident88.1Confident19 Ų1946 Ų4610%0.09927%0.272CS..  trans-115.5106.8164-59.3-179.6000109.4L380 G381 I388 L412 K415 Q416 I594L380-L383 PolarHBondContact O-N 3.04Å; G381-L383 VanDerWaalsContact C-N 3.34Å; L383-I388 HydrophobicContact CB-CD1 4.27Å; L383-I388 HydrophobicContact CB-CG1 4.33Å; L383-L412 HydrophobicContact CD1-CB 4.38Å; L383-L412 HydrophobicContact CD1-CD2 4.45Å; L383-L412 HydrophobicContact CD2-CD2 3.75Å; L383-K415 HydrophobicContact CD2-CD 4.25Å; L383-Q416 HydrophobicContact CD1-CG 3.98Å; L383-Q416 VanDerWaalsContact CG-NE2 3.33Å; L383-I594 HydrophobicContact CD1-CD1 3.9Å; L383-I594 HydrophobicContact CD1-CG2 4.41Å
384S87.4Confident87.7Confident51 Ų5149 Ų4936%0.35729%0.287SS..  trans-80.1155.116473.20000110.2I386 D387 I388S384-I386 PolarHBondContact O-N 3.35Å; S384-I386 PolarHBondContact OG-N 2.79Å; S384-D387 VanDerWaalsContact CB-OD2 3.29Å; S384-D387 WeakPolarHBondContact CB-OD2 3.32Å; S384-D387 PolarHBondContact N-OD2 3.49Å; S384-D387 WeakPolarHBondContact O-CA 3.42Å; S384-D387 WeakPolarHBondContact O-CB 3.38Å; S384-D387 PolarHBondContact O-N 2.8Å; S384-D387 PolarHBondContact OG-N 3.05Å; S384-D387 VanDerWaalsContact OG-N 3.11Å; S384-D387 PolarHBondContact OG-OD2 3.47Å; S384-I388 PolarHBondContact O-N 2.76Å
385T85.1Confident87.4Confident56 Ų5650.6 Ų50.634%0.34430%0.299SS..Hα-helixtrans-56.4-24171.1-46.90000112L389 L579 C587 E591T385-L389 VanDerWaalsContact O-CB 3.31Å; T385-L389 WeakPolarHBondContact O-CB 3.33Å; T385-L389 PolarHBondContact O-N 2.98Å; T385-L579 HydrophobicContact CG2-CD1 4.12Å; T385-C587 HydrophobicContact CG2-CB 3.7Å; T385-E591 PolarHBondContact OG1-OE1 2.89Å
386I86.1Confident87Confident77 Ų7747.2 Ų47.240%0.39529%0.286SS..Hα-helixtrans-72.6-39173.1-62.3174000111.5S384 I388 L389 T390 V575S384-I386 PolarHBondContact O-N 3.35Å; S384-I386 PolarHBondContact OG-N 2.79Å; I386-I388 VanDerWaalsContact C-N 3.34Å; I386-L389 PolarHBondContact O-N 2.96Å; I386-T390 VanDerWaalsContact O-CB 3.31Å; I386-T390 WeakPolarHBondContact O-CB 3.35Å; I386-T390 PolarHBondContact O-N 3.43Å; I386-T390 PolarHBondContact O-OG1 2.72Å; I386-V575 HydrophobicContact CG1-CG1 4.44Å; I386-V575 HydrophobicContact CG2-CB 3.93Å; I386-V575 HydrophobicContact CG2-CG1 4.1Å; I386-V575 HydrophobicContact CG2-CG2 4.04Å
387D86.7Confident86.5Confident72 Ų7244.6 Ų44.639%0.38528%0.275SS..Hα-helixtrans-65.4-40.7174.8-59.1-58000110.8S384 T390 A391S384-D387 VanDerWaalsContact CB-OD2 3.29Å; S384-D387 WeakPolarHBondContact CB-OD2 3.32Å; S384-D387 PolarHBondContact N-OD2 3.49Å; S384-D387 WeakPolarHBondContact O-CA 3.42Å; S384-D387 WeakPolarHBondContact O-CB 3.38Å; S384-D387 PolarHBondContact O-N 2.8Å; S384-D387 PolarHBondContact OG-N 3.05Å; S384-D387 VanDerWaalsContact OG-N 3.11Å; S384-D387 PolarHBondContact OG-OD2 3.47Å; D387-T390 PolarHBondContact O-N 3Å; D387-A391 WeakPolarHBondContact O-CB 3.26Å; D387-A391 PolarHBondContact O-N 3.34Å
388I87.4Confident85.9Confident1 Ų150.4 Ų50.41%0.00531%0.313CS..Hα-helixtrans-65.2-47.5177.3-61.1179.2000110.3L383 S384 I386 T390 A391 I392 L412 C587 I590 E591L383-I388 HydrophobicContact CB-CD1 4.27Å; L383-I388 HydrophobicContact CB-CG1 4.33Å; S384-I388 PolarHBondContact O-N 2.76Å; I386-I388 VanDerWaalsContact C-N 3.34Å; I388-T390 VanDerWaalsContact C-N 3.27Å; I388-T390 PolarHBondContact O-N 3.18Å; I388-A391 PolarHBondContact O-N 3.03Å; I388-I392 HydrophobicContact CG2-CD1 4.1Å; I388-I392 VanDerWaalsContact O-CG1 3.31Å; I388-I392 WeakPolarHBondContact O-CG1 3.5Å; I388-I392 PolarHBondContact O-N 2.74Å; I388-L412 HydrophobicContact CB-CD1 4.33Å; I388-L412 HydrophobicContact CG1-CD1 4.01Å; I388-L412 HydrophobicContact CG2-CD1 4.14Å; I388-C587 HydrophobicContact CG2-CB 4.14Å; I388-I590 HydrophobicContact CG2-CB 4.01Å; I388-I590 HydrophobicContact CG2-CD1 4.36Å; I388-I590 HydrophobicContact CG2-CG2 3.77Å; I388-E591 HydrophobicContact CD1-CG 3.29Å
389L86.5Confident85.3Confident2 Ų256.2 Ų56.21%0.0133%0.328CS..Hα-helixtrans-55.9-42.1172-173.380.6000112.3T385 I386 I392 R393 V575 L579 E583T385-L389 VanDerWaalsContact O-CB 3.31Å; T385-L389 WeakPolarHBondContact O-CB 3.33Å; T385-L389 PolarHBondContact O-N 2.98Å; I386-L389 PolarHBondContact O-N 2.96Å; L389-I392 PolarHBondContact O-N 3.32Å; L389-R393 WeakPolarHBondContact O-CB 3.2Å; L389-R393 WeakPolarHBondContact O-CG 3.35Å; L389-R393 PolarHBondContact O-N 3.32Å; L389-V575 HydrophobicContact CD2-CG1 3.96Å; L389-L579 HydrophobicContact CD1-CD2 4.07Å; L389-L579 HydrophobicContact CD2-CD2 3.54Å; L389-L579 HydrophobicContact CG-CD2 4.32Å; L389-E583 HydrophobicContact CD1-CB 3.66Å; L389-E583 HydrophobicContact CD1-CG 3.77Å
390T87Confident84.5Confident53 Ų5362 Ų6233%0.32537%0.366SS..Hα-helixtrans-66.7-41.2179-58.90000110.9I386 D387 I388 R393 N394I386-T390 VanDerWaalsContact O-CB 3.31Å; I386-T390 WeakPolarHBondContact O-CB 3.35Å; I386-T390 PolarHBondContact O-N 3.43Å; I386-T390 PolarHBondContact O-OG1 2.72Å; D387-T390 PolarHBondContact O-N 3Å; I388-T390 VanDerWaalsContact C-N 3.27Å; I388-T390 PolarHBondContact O-N 3.18Å; T390-R393 PolarHBondContact O-N 3Å; T390-N394 VanDerWaalsContact O-CB 3.31Å; T390-N394 WeakPolarHBondContact O-CB 3.24Å; T390-N394 PolarHBondContact O-N 2.94Å; T390-N394 PolarHBondContact O-ND2 3.3Å
391A87.4Confident83.7Confident19 Ų1962.3 Ų62.316%0.15737%0.372CS..Hα-helixtrans-63.5-43.3173.100000112.4D387 I388 R393 N394 A395 L412D387-A391 WeakPolarHBondContact O-CB 3.26Å; D387-A391 PolarHBondContact O-N 3.34Å; I388-A391 PolarHBondContact O-N 3.03Å; A391-R393 PolarHBondContact O-N 2.81Å; A391-N394 PolarHBondContact O-N 3.48Å; A391-A395 WeakPolarHBondContact O-CB 3.29Å; A391-A395 PolarHBondContact O-N 3.49Å; A391-L412 HydrophobicContact CB-CD1 3.96Å; A391-L412 HydrophobicContact CB-CD2 4.09Å; A391-L412 HydrophobicContact CB-CG 4.1Å
392I84.8Confident83.2Confident16 Ų1668.2 Ų68.28%0.08240%0.399CS..Hα-helixtrans-58.3-48.8174.6-67.7163.8000110.5I388 L389 A395 T396 V404 D586 I590I388-I392 HydrophobicContact CG2-CD1 4.1Å; I388-I392 VanDerWaalsContact O-CG1 3.31Å; I388-I392 WeakPolarHBondContact O-CG1 3.5Å; I388-I392 PolarHBondContact O-N 2.74Å; L389-I392 PolarHBondContact O-N 3.32Å; I392-A395 PolarHBondContact O-N 3.04Å; I392-T396 VanDerWaalsContact O-CB 3.27Å; I392-T396 WeakPolarHBondContact O-CB 3.25Å; I392-T396 PolarHBondContact O-N 2.64Å; I392-T396 PolarHBondContact O-OG1 3.18Å; I392-V404 HydrophobicContact CD1-CG1 4.47Å; I392-V404 HydrophobicContact CG1-CG1 4.26Å; I392-D586 HydrophobicContact CD1-CB 4.42Å; I392-I590 HydrophobicContact CD1-CD1 3.76Å; I392-I590 HydrophobicContact CG1-CD1 3.5Å; I392-I590 VanDerWaalsContact CG1-CD1 3.5Å
393R84Confident82.9Confident107 Ų10773.3 Ų73.340%0.40440%0.404SS..Hα-helixtrans-65.1-43.8-179.6-73.7174.6177174.60.7112L389 T390 A391 T396 G397 E583L389-R393 WeakPolarHBondContact O-CB 3.2Å; L389-R393 WeakPolarHBondContact O-CG 3.35Å; L389-R393 PolarHBondContact O-N 3.32Å; T390-R393 PolarHBondContact O-N 3Å; A391-R393 PolarHBondContact O-N 2.81Å; R393-T396 WeakPolarHBondContact O-CB 3.47Å; R393-T396 PolarHBondContact O-N 2.88Å; R393-G397 PolarHBondContact O-N 3.48Å; R393-E583 IonicContact CZ-OE1 3.99Å; R393-E583 IonicContact NE-OE1 3.79Å; R393-E583 IonicContact NH2-OE1 2.68Å; R393-E583 PolarHBondContact NH2-OE1 3.28Å
394N86.8Confident82.3Confident123 Ų12374.5 Ų74.566%0.65841%0.412SS*.Hα-helixtrans-67-39.5178.4-69.7-9.9000112.1T390 A391 T396 G397T390-N394 VanDerWaalsContact O-CB 3.31Å; T390-N394 WeakPolarHBondContact O-CB 3.24Å; T390-N394 PolarHBondContact O-N 2.94Å; T390-N394 PolarHBondContact O-ND2 3.3Å; A391-N394 PolarHBondContact O-N 3.48Å; N394-T396 VanDerWaalsContact C-N 3.31Å; N394-G397 PolarHBondContact O-N 3.46Å
395A85.6Confident82Confident32 Ų3273.2 Ų73.226%0.26440%0.403SS..Hα-helixtrans-69.9-27.3174.400000113.2A391 I392 P405 I407A391-A395 WeakPolarHBondContact O-CB 3.29Å; A391-A395 PolarHBondContact O-N 3.49Å; I392-A395 PolarHBondContact O-N 3.04Å; A395-P405 HydrophobicContact CB-CB 4.05Å; A395-P405 HydrophobicContact CB-CG 4.27Å; A395-I407 HydrophobicContact CB-CB 4.39Å; A395-I407 HydrophobicContact CB-CG2 4.44Å
396T84.1Confident81.9Confident38 Ų3877.8 Ų77.823%0.23342%0.42CS..Hα-helixtrans-72.8-33.2172.5-63.60000111.7I392 R393 N394 R399 P405I392-T396 VanDerWaalsContact O-CB 3.27Å; I392-T396 WeakPolarHBondContact O-CB 3.25Å; I392-T396 PolarHBondContact O-N 2.64Å; I392-T396 PolarHBondContact O-OG1 3.18Å; R393-T396 WeakPolarHBondContact O-CB 3.47Å; R393-T396 PolarHBondContact O-N 2.88Å; N394-T396 VanDerWaalsContact C-N 3.31Å; T396-R399 WeakPolarHBondContact CG2-O 3.38Å; T396-P405 VanDerWaalsContact OG1-CG 3.31Å; T396-P405 WeakPolarHBondContact OG1-CG 3.18Å
397G82.1Confident81.9Confident41 Ų4178.7 Ų78.742%0.42343%0.425SS..THydrogen-bonded Turntrans67.8-147.3176.400000113.2R393 N394 R399R393-G397 PolarHBondContact O-N 3.48Å; N394-G397 PolarHBondContact O-N 3.46Å; G397-R399 VanDerWaalsContact C-N 3.26Å; G397-R399 PolarHBondContact O-N 3.47Å
398P79.3Confident81.9Confident138 Ų13875.2 Ų75.290%0.89641%0.406SS*.THydrogen-bonded Turntrans-79.65-169.132.6-36.9000115
399R77Confident81.9Confident204 Ų20475.8 Ų75.877%0.7741%0.409SS*.SBendtrans-121.2143.9-175.1-64.1-178.4-177.6173.51.7110.9T396 G397 S401T396-R399 WeakPolarHBondContact CG2-O 3.38Å; G397-R399 VanDerWaalsContact C-N 3.26Å; G397-R399 PolarHBondContact O-N 3.47Å; R399-S401 PolarHBondContact O-N 3.46Å
400P72.9Confident82Confident132 Ų13279.1 Ų79.186%0.85742%0.424SS*.  trans-67.2132.7172.828.7-33.9000110.8
401S72.6Confident82.1Confident52 Ų5281.6 Ų81.636%0.36444%0.435SS..  trans-98.4149176.8-1700000113.2R399 F403 R582R399-S401 PolarHBondContact O-N 3.46Å; S401-F403 WeakPolarHBondContact CB-O 3.39Å; S401-F403 PolarHBondContact OG-N 3.05Å; S401-F403 VanDerWaalsContact OG-N 3.17Å; S401-F403 PolarHBondContact OG-O 3.31Å; S401-R582 PolarHBondContact O-NH2 3.17Å
402L74.2Confident82.3Confident136 Ų13681.3 Ų81.371%0.71243%0.431SS*.SBendtrans-87.3-23.7169.6-64.5177.5000112.6R582L402-R582 PolarHBondContact O-NH2 3.22Å
403F75.2Confident82.7Confident170 Ų17080.6 Ų80.675%0.74643%0.427SS*.SBendtrans-133.2160.9-176.2-57.1-75.8000111.4S401S401-F403 WeakPolarHBondContact CB-O 3.39Å; S401-F403 PolarHBondContact OG-N 3.05Å; S401-F403 VanDerWaalsContact OG-N 3.17Å; S401-F403 PolarHBondContact OG-O 3.31Å
404V76Confident83.1Confident45 Ų4578.6 Ų78.627%0.27342%0.421SS..  trans-72.4126176.4-175.10000109.2I392 E406 D586 I590I392-V404 HydrophobicContact CD1-CG1 4.47Å; I392-V404 HydrophobicContact CG1-CG1 4.26Å; V404-E406 PolarHBondContact O-N 2.96Å; V404-D586 HydrophobicContact CG2-CB 3.55Å; V404-D586 VanDerWaalsContact CG2-CG 3.46Å; V404-I590 HydrophobicContact CG1-CD1 3.6Å; V404-I590 HydrophobicContact CG1-CG1 3.95Å
405P80.9Confident83.3Confident24 Ų2478.3 Ų78.316%0.15641%0.414CS..  trans-71126.2-178.5-17.130.5000112.3A395 T396 I407 S408A395-P405 HydrophobicContact CB-CB 4.05Å; A395-P405 HydrophobicContact CB-CG 4.27Å; T396-P405 VanDerWaalsContact OG1-CG 3.31Å; T396-P405 WeakPolarHBondContact OG1-CG 3.18Å; P405-I407 PolarHBondContact O-N 2.99Å; P405-S408 WeakPolarHBondContact O-CB 3.33Å; P405-S408 PolarHBondContact O-N 2.9Å; P405-S408 PolarHBondContact O-OG 3.41Å
406E82.6Confident83.7Confident151 Ų15176.8 Ų76.871%0.70640%0.402SS*.Hα-helixtrans-55.3-35.5178.4-64.8176.7-175.500112.6V404 S408 F409 E410V404-E406 PolarHBondContact O-N 2.96Å; E406-S408 PolarHBondContact O-N 3.31Å; E406-S408 VanDerWaalsContact O-N 3.11Å; E406-F409 WeakPolarHBondContact O-CA 3.37Å; E406-F409 WeakPolarHBondContact O-CB 3.49Å; E406-F409 PolarHBondContact O-N 2.63Å; E406-E410 PolarHBondContact O-N 2.81Å
407I86Confident84.2Confident96 Ų9675 Ų7549%0.49239%0.391SS..Hα-helixtrans-52.5-34.3175.5-58.2172000112.1A395 P405 E410 L411A395-I407 HydrophobicContact CB-CB 4.39Å; A395-I407 HydrophobicContact CB-CG2 4.44Å; P405-I407 PolarHBondContact O-N 2.99Å; I407-E410 PolarHBondContact O-N 2.88Å; I407-L411 HydrophobicContact CG2-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CG 4.26Å; I407-L411 VanDerWaalsContact O-CG 3.3Å; I407-L411 WeakPolarHBondContact O-CG 3.09Å; I407-L411 PolarHBondContact O-N 3.28Å
408S86.8Confident84.8Confident0 Ų079.1 Ų79.10%040%0.397CS..Hα-helixtrans-68.7-37.6178.264.20000112.4P405 E406 L412 I590P405-S408 WeakPolarHBondContact O-CB 3.33Å; P405-S408 PolarHBondContact O-N 2.9Å; P405-S408 PolarHBondContact O-OG 3.41Å; E406-S408 PolarHBondContact O-N 3.31Å; E406-S408 VanDerWaalsContact O-N 3.11Å; S408-L412 VanDerWaalsContact O-CD1 3.25Å; S408-L412 WeakPolarHBondContact O-CD1 3.4Å; S408-L412 WeakPolarHBondContact O-CG 3.47Å; S408-L412 PolarHBondContact O-N 2.76Å; S408-I590 WeakPolarHBondContact OG-CD1 3.25Å
409F88.3Confident85.5Confident13 Ų1377.3 Ų77.36%0.05737%0.372CS..Hα-helixtrans-65.7-46.6170.7154.3-99.9000111E406 L411 L412 V413 I490 T492 F497 L593 I594 Y597E406-F409 WeakPolarHBondContact O-CA 3.37Å; E406-F409 WeakPolarHBondContact O-CB 3.49Å; E406-F409 PolarHBondContact O-N 2.63Å; F409-L411 PolarHBondContact O-N 2.73Å; F409-L412 PolarHBondContact O-N 3.41Å; F409-V413 HydrophobicContact CD2-CG2 3.67Å; F409-V413 HydrophobicContact CE2-CG2 3.32Å; F409-V413 HydrophobicContact CG-CG2 4.43Å; F409-V413 HydrophobicContact CZ-CG2 3.83Å; F409-V413 WeakPolarHBondContact O-CG2 3.36Å; F409-V413 PolarHBondContact O-N 3.32Å; F409-I490 HydrophobicContact CE1-CG2 3.81Å; F409-I490 HydrophobicContact CZ-CG2 4.18Å; F409-T492 HydrophobicContact CE1-CG2 4.27Å; F409-F497 HydrophobicContact CE2-CZ 4.33Å; F409-F497 HydrophobicContact CZ-CE2 4.34Å; F409-F497 AromaticContact CZ-CZ 3.85Å; F409-F497 HydrophobicContact CZ-CZ 3.85Å; F409-L593 HydrophobicContact CD2-CB 3.71Å; F409-L593 HydrophobicContact CE2-CB 3.71Å; F409-I594 HydrophobicContact CD2-CG1 4.04Å; F409-Y597 HydrophobicContact CZ-CG 4.25Å
410E89Confident86.4Confident71 Ų7167.6 Ų67.633%0.33234%0.336SS..Hα-helixtrans-58.6-48.2-179.1-65.9-167.7167.100112.9E406 I407 L412 V413 K414 I490E406-E410 PolarHBondContact O-N 2.81Å; I407-E410 PolarHBondContact O-N 2.88Å; E410-L412 VanDerWaalsContact C-N 3.31Å; E410-L412 PolarHBondContact O-N 3.15Å; E410-V413 PolarHBondContact O-N 3.24Å; E410-K414 WeakPolarHBondContact O-CB 3.44Å; E410-K414 VanDerWaalsContact O-CG 3.31Å; E410-K414 WeakPolarHBondContact O-CG 3.31Å; E410-K414 PolarHBondContact O-N 2.87Å; E410-I490 HydrophobicContact CB-CD1 3.9Å; E410-I490 HydrophobicContact CG-CD1 4.03Å
411L89.4Confident87.5Confident106 Ų10663 Ų6356%0.55530%0.303SS*.Hα-helixtrans-61.1-40.1-179.8-71.6169.3000112I407 F409 K415I407-L411 HydrophobicContact CG2-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CG 4.26Å; I407-L411 VanDerWaalsContact O-CG 3.3Å; I407-L411 WeakPolarHBondContact O-CG 3.09Å; I407-L411 PolarHBondContact O-N 3.28Å; F409-L411 PolarHBondContact O-N 2.73Å; L411-K415 PolarHBondContact O-N 3Å; L411-K415 VanDerWaalsContact O-N 3.11Å
412L91Very high88.5Confident12 Ų1268 Ų686%0.06332%0.32CS..Hα-helixtrans-73.3-40.9-179.4-66.3170000111.9L383 I388 A391 S408 F409 E410 K415 Q416 I590 I594L383-L412 HydrophobicContact CD1-CB 4.38Å; L383-L412 HydrophobicContact CD1-CD2 4.45Å; L383-L412 HydrophobicContact CD2-CD2 3.75Å; I388-L412 HydrophobicContact CB-CD1 4.33Å; I388-L412 HydrophobicContact CG1-CD1 4.01Å; I388-L412 HydrophobicContact CG2-CD1 4.14Å; A391-L412 HydrophobicContact CB-CD1 3.96Å; A391-L412 HydrophobicContact CB-CD2 4.09Å; A391-L412 HydrophobicContact CB-CG 4.1Å; S408-L412 VanDerWaalsContact O-CD1 3.25Å; S408-L412 WeakPolarHBondContact O-CD1 3.4Å; S408-L412 WeakPolarHBondContact O-CG 3.47Å; S408-L412 PolarHBondContact O-N 2.76Å; F409-L412 PolarHBondContact O-N 3.41Å; E410-L412 VanDerWaalsContact C-N 3.31Å; E410-L412 PolarHBondContact O-N 3.15Å; L412-K415 WeakPolarHBondContact O-CB 3.42Å; L412-K415 PolarHBondContact O-N 3.28Å; L412-Q416 WeakPolarHBondContact O-CG 3.5Å; L412-Q416 PolarHBondContact O-N 3.43Å; L412-Q416 VanDerWaalsContact O-N 3.13Å; L412-I590 HydrophobicContact CD1-CG2 3.9Å; L412-I594 HydrophobicContact CB-CD1 3.54Å; L412-I594 HydrophobicContact CB-CG1 4.26Å; L412-I594 HydrophobicContact CD1-CD1 3.86Å; L412-I594 HydrophobicContact CG-CD1 4.34Å
413V92.4Very high89.6Confident1 Ų162.5 Ų62.51%0.00629%0.292CS..Hα-helixtrans-60.4-47.6172.1167.80000111F409 E410 K415 Q416 V417 I490 I594 Y597F409-V413 HydrophobicContact CD2-CG2 3.67Å; F409-V413 HydrophobicContact CE2-CG2 3.32Å; F409-V413 HydrophobicContact CG-CG2 4.43Å; F409-V413 HydrophobicContact CZ-CG2 3.83Å; F409-V413 WeakPolarHBondContact O-CG2 3.36Å; F409-V413 PolarHBondContact O-N 3.32Å; E410-V413 PolarHBondContact O-N 3.24Å; V413-K415 VanDerWaalsContact C-N 3.29Å; V413-K415 PolarHBondContact O-N 3.07Å; V413-Q416 WeakPolarHBondContact O-CA 3.47Å; V413-Q416 PolarHBondContact O-N 3.25Å; V413-V417 HydrophobicContact CG1-CG2 3.96Å; V413-V417 WeakPolarHBondContact O-CG2 3.36Å; V413-V417 PolarHBondContact O-N 3.04Å; V413-I490 HydrophobicContact CB-CD1 4.11Å; V413-I490 HydrophobicContact CG1-CD1 3.93Å; V413-I594 HydrophobicContact CG2-CB 4.25Å; V413-I594 HydrophobicContact CG2-CG1 3.93Å; V413-I594 HydrophobicContact CG2-CG2 4.32Å; V413-Y597 HydrophobicContact CG1-CD1 3.57Å; V413-Y597 HydrophobicContact CG1-CE1 4.11Å
414K93.3Very high90.6Very high65 Ų6554.4 Ų54.428%0.28326%0.257SS..Hα-helixtrans-60.2-38.7178.7-70.3-178-168.1-148.70112E410 Q416 K418 L487 A488 I490E410-K414 WeakPolarHBondContact O-CB 3.44Å; E410-K414 VanDerWaalsContact O-CG 3.31Å; E410-K414 WeakPolarHBondContact O-CG 3.31Å; E410-K414 PolarHBondContact O-N 2.87Å; K414-Q416 VanDerWaalsContact C-N 3.29Å; K414-Q416 PolarHBondContact O-N 3.05Å; K414-K418 WeakPolarHBondContact O-CB 3.46Å; K414-K418 PolarHBondContact O-N 3.18Å; K414-K418 VanDerWaalsContact O-N 3.17Å; K414-L487 HydrophobicContact CB-CD2 3.82Å; K414-L487 WeakPolarHBondContact CD-O 3.5Å; K414-L487 WeakPolarHBondContact CE-O 3.48Å; K414-L487 HydrophobicContact CG-CD2 4.06Å; K414-L487 PolarHBondContact NZ-O 3.41Å; K414-L487 WeakPolarHBondContact O-CD2 3.32Å; K414-A488 PolarHBondContact NZ-O 2.84Å; K414-I490 HydrophobicContact CG-CD1 4.06Å
415K91.6Very high91.6Very high117 Ų11754.3 Ų54.351%0.50926%0.255SS..Hα-helixtrans-60.3-37.9173-171-173.6177.8-1660112.2L383 L411 L412 V413L383-K415 HydrophobicContact CD2-CD 4.25Å; L411-K415 PolarHBondContact O-N 3Å; L411-K415 VanDerWaalsContact O-N 3.11Å; L412-K415 WeakPolarHBondContact O-CB 3.42Å; L412-K415 PolarHBondContact O-N 3.28Å; V413-K415 VanDerWaalsContact C-N 3.29Å; V413-K415 PolarHBondContact O-N 3.07Å
416Q92.5Very high92.3Very high1 Ų158.3 Ų58.31%0.00527%0.267CS..Hα-helixtrans-76.2-49.4178.5-68-58.6-27.300112.8P379 G381 L383 L412 V413 K414 K418 R419 I594 F598P379-Q416 WeakPolarHBondContact O-CG 3.43Å; G381-Q416 PolarHBondContact O-NE2 3.44Å; L383-Q416 HydrophobicContact CD1-CG 3.98Å; L383-Q416 VanDerWaalsContact CG-NE2 3.33Å; L412-Q416 WeakPolarHBondContact O-CG 3.5Å; L412-Q416 PolarHBondContact O-N 3.43Å; L412-Q416 VanDerWaalsContact O-N 3.13Å; V413-Q416 WeakPolarHBondContact O-CA 3.47Å; V413-Q416 PolarHBondContact O-N 3.25Å; K414-Q416 VanDerWaalsContact C-N 3.29Å; K414-Q416 PolarHBondContact O-N 3.05Å; Q416-K418 PolarHBondContact O-N 2.98Å; Q416-R419 VanDerWaalsContact O-CB 3.28Å; Q416-R419 WeakPolarHBondContact O-CB 3.27Å; Q416-R419 PolarHBondContact O-N 3.25Å; Q416-R419 VanDerWaalsContact OE1-CD 3.29Å; Q416-I594 HydrophobicContact CG-CG2 4.34Å; Q416-F598 HydrophobicContact CB-CD2 3.66Å; Q416-F598 HydrophobicContact CB-CE2 3.88Å
417V94.3Very high93Very high1 Ų151.2 Ų51.21%0.00623%0.234CC..Hα-helixtrans-56.6-37.3179.91700000111.6V413 R419 L420 V483 E486 L487 F598 V601V413-V417 HydrophobicContact CG1-CG2 3.96Å; V413-V417 WeakPolarHBondContact O-CG2 3.36Å; V413-V417 PolarHBondContact O-N 3.04Å; V417-R419 PolarHBondContact O-N 3.27Å; V417-R419 VanDerWaalsContact O-N 3.14Å; V417-L420 VanDerWaalsContact O-CB 3.28Å; V417-L420 WeakPolarHBondContact O-CB 3.44Å; V417-L420 WeakPolarHBondContact O-CG 3.39Å; V417-L420 PolarHBondContact O-N 3.46Å; V417-V483 HydrophobicContact CG1-CG1 4.29Å; V417-E486 HydrophobicContact CG1-CB 4.02Å; V417-L487 HydrophobicContact CB-CD2 3.76Å; V417-L487 HydrophobicContact CG1-CD2 3.73Å; V417-L487 HydrophobicContact CG1-CG 4.07Å; V417-F598 HydrophobicContact CG2-CD2 4.25Å; V417-V601 HydrophobicContact CB-CG1 4.45Å; V417-V601 HydrophobicContact CG1-CG1 3.79Å; V417-V601 HydrophobicContact CG2-CB 4.22Å; V417-V601 HydrophobicContact CG2-CG1 3.82Å; V417-V601 HydrophobicContact CG2-CG2 4.33Å
418K94.7Very high93.6Very high127 Ų12746.7 Ų46.755%0.55221%0.211SC*.G310 helixtrans-59.2-25.9176-172.3166.8-176.7172.40113.9K414 Q416 L420 E421 L487K414-K418 WeakPolarHBondContact O-CB 3.46Å; K414-K418 PolarHBondContact O-N 3.18Å; K414-K418 VanDerWaalsContact O-N 3.17Å; Q416-K418 PolarHBondContact O-N 2.98Å; K418-L420 PolarHBondContact O-N 3.23Å; K418-E421 WeakPolarHBondContact O-CB 3.39Å; K418-E421 PolarHBondContact O-N 3Å; K418-L487 HydrophobicContact CB-CD1 4.17Å; K418-L487 HydrophobicContact CB-CD2 4.44Å; K418-L487 HydrophobicContact CG-CD1 4.47Å
419R94.9Very high94Very high100 Ų10050.3 Ų50.338%0.37723%0.228SC..G310 helixtrans-69.7-11.4176.2-59.6169.363.7-143.7-5113.4V377 D378 G381 Q416 V417 E421 P423V377-R419 HydrophobicContact CG1-CB 4.47Å; D378-R419 PolarHBondContact O-NH1 3.49Å; G381-R419 PolarHBondContact O-NH1 2.67Å; Q416-R419 VanDerWaalsContact O-CB 3.28Å; Q416-R419 WeakPolarHBondContact O-CB 3.27Å; Q416-R419 PolarHBondContact O-N 3.25Å; Q416-R419 VanDerWaalsContact OE1-CD 3.29Å; V417-R419 PolarHBondContact O-N 3.27Å; V417-R419 VanDerWaalsContact O-N 3.14Å; R419-E421 VanDerWaalsContact C-N 3.33Å; R419-P423 VanDerWaalsContact O-CD 3.27Å; R419-P423 WeakPolarHBondContact O-CD 3.1Å
420L95.3Very high94.4Very high0 Ų051.5 Ų51.50%024%0.235CC..G310 helixtrans-82.9-11176.9-56.5172000112.4L374 V377 V417 K418 S424 F598 V601 R602 I605L374-L420 HydrophobicContact CD2-CD2 4.02Å; V377-L420 HydrophobicContact CB-CD2 4.32Å; V377-L420 HydrophobicContact CG1-CD2 4.24Å; V377-L420 HydrophobicContact CG2-CD2 4.43Å; V417-L420 VanDerWaalsContact O-CB 3.28Å; V417-L420 WeakPolarHBondContact O-CB 3.44Å; V417-L420 WeakPolarHBondContact O-CG 3.39Å; V417-L420 PolarHBondContact O-N 3.46Å; K418-L420 PolarHBondContact O-N 3.23Å; L420-S424 WeakPolarHBondContact O-CB 3.39Å; L420-S424 PolarHBondContact O-N 3.02Å; L420-S424 PolarHBondContact O-OG 3.04Å; L420-F598 HydrophobicContact CD1-CD2 4.46Å; L420-F598 HydrophobicContact CD1-CE2 3.83Å; L420-F598 HydrophobicContact CD1-CZ 4.19Å; L420-F598 HydrophobicContact CD2-CE2 4.1Å; L420-F598 HydrophobicContact CD2-CZ 3.74Å; L420-F598 HydrophobicContact CG-CE2 3.97Å; L420-F598 HydrophobicContact CG-CZ 4.14Å; L420-V601 HydrophobicContact CD1-CG1 4.29Å; L420-R602 HydrophobicContact CD1-CB 4.29Å; L420-R602 HydrophobicContact CD2-CG 4.19Å; L420-I605 HydrophobicContact CB-CD1 3.97Å; L420-I605 HydrophobicContact CD1-CD1 3.69Å; L420-I605 HydrophobicContact CG-CD1 4.48Å
421E95.6Very high94.8Very high36 Ų3648.1 Ų48.117%0.16822%0.219CC..Hα-helixtrans-67.8-52.9-179.2-165.6-177161.400112.4K418 R419 S424 L425 H480 V483K418-E421 WeakPolarHBondContact O-CB 3.39Å; K418-E421 PolarHBondContact O-N 3Å; R419-E421 VanDerWaalsContact C-N 3.33Å; E421-S424 WeakPolarHBondContact O-CB 3.4Å; E421-S424 PolarHBondContact O-N 2.92Å; E421-S424 VanDerWaalsContact O-N 3.1Å; E421-L425 HydrophobicContact CG-CD1 4.3Å; E421-L425 PolarHBondContact O-N 3.18Å; E421-H480 IonicContact OE1-CE1 2.68Å; E421-H480 PolarHBondContact OE1-CE1 3.26Å; E421-H480 IonicContact OE1-CG 3.53Å; E421-H480 IonicContact OE1-ND1 3.63Å; E421-H480 PolarHBondContact OE1-ND1 3.07Å; E421-V483 HydrophobicContact CB-CG1 4.25Å; E421-V483 HydrophobicContact CB-CG2 4.39Å
422E95.4Very high95.1Very high157 Ų15744 Ų4473%0.73420%0.196SC*.Hα-helixtrans-55.5-52.5180-177.8179.5-175.800114S424 L425 R426E422-S424 PolarHBondContact O-N 3.38Å; E422-L425 PolarHBondContact O-N 3.26Å; E422-R426 PolarHBondContact O-N 2.89Å
423P96.3Very high95.3Very high19 Ų1946 Ų4612%0.12321%0.206CC..Hα-helixtrans-66.2-25.7176.626.6-35.3000112.9T373 L374 R419 C427T373-P423 HydrophobicContact CG2-CB 3.77Å; L374-P423 HydrophobicContact CD2-CB 4.06Å; L374-P423 HydrophobicContact CD2-CG 3.7Å; R419-P423 VanDerWaalsContact O-CD 3.27Å; R419-P423 WeakPolarHBondContact O-CD 3.1Å; P423-C427 PolarHBondContact O-N 3.42Å; P423-C427 VanDerWaalsContact O-N 3.08Å
424S96.8Very high95.4Very high0 Ų046.2 Ų46.20%021%0.206CC..Hα-helixtrans-72-43.7175.4-59.40000111.8L420 E421 E422 C427 V428L420-S424 WeakPolarHBondContact O-CB 3.39Å; L420-S424 PolarHBondContact O-N 3.02Å; L420-S424 PolarHBondContact O-OG 3.04Å; E421-S424 WeakPolarHBondContact O-CB 3.4Å; E421-S424 PolarHBondContact O-N 2.92Å; E421-S424 VanDerWaalsContact O-N 3.1Å; E422-S424 PolarHBondContact O-N 3.38Å; S424-C427 WeakPolarHBondContact O-CB 3.45Å; S424-C427 PolarHBondContact O-N 3.13Å; S424-V428 WeakPolarHBondContact O-CG2 3.4Å; S424-V428 PolarHBondContact O-N 3.26Å
425L96.4Very high95.4Very high44 Ų4443.1 Ų43.123%0.2319%0.193CC..Hα-helixtrans-63.5-42.5172.8-68174.3000111.3E421 E422 C427 V428 E429 N476 V479E421-L425 HydrophobicContact CG-CD1 4.3Å; E421-L425 PolarHBondContact O-N 3.18Å; E422-L425 PolarHBondContact O-N 3.26Å; L425-C427 PolarHBondContact O-N 2.95Å; L425-V428 WeakPolarHBondContact O-CB 3.35Å; L425-V428 PolarHBondContact O-N 3.23Å; L425-E429 PolarHBondContact O-N 3.48Å; L425-E429 VanDerWaalsContact O-N 3.14Å; L425-N476 HydrophobicContact CD2-CB 3.9Å; L425-V479 HydrophobicContact CD2-CB 4.36Å; L425-V479 HydrophobicContact CD2-CG1 4.1Å
426R96.7Very high95.5Very high107 Ų10740.1 Ų40.140%0.40418%0.181SC..Hα-helixtrans-61.8-30.9175.6-172.759.3-171148.612.5112.6E422 E429 L430 E433E422-R426 PolarHBondContact O-N 2.89Å; R426-E429 WeakPolarHBondContact CD-OE2 3.41Å; R426-E429 IonicContact CZ-OE2 3.73Å; R426-E429 IonicContact NE-OE2 3.69Å; R426-E429 IonicContact NH1-OE2 3.68Å; R426-E429 PolarHBondContact NH1-OE2 3.01Å; R426-E429 PolarHBondContact O-N 3.31Å; R426-L430 HydrophobicContact CG-CD1 4.49Å; R426-L430 WeakPolarHBondContact O-CG 3.31Å; R426-L430 PolarHBondContact O-N 3.46Å; R426-E433 IonicContact CZ-OE1 3.42Å; R426-E433 IonicContact NH1-OE1 3.89Å; R426-E433 PolarHBondContact NH1-OE1 3.48Å; R426-E433 IonicContact NH2-OE1 2.72Å; R426-E433 PolarHBondContact NH2-OE1 2.94Å
427C97.1Very high95.3Very high3 Ų344.6 Ų44.62%0.0220%0.198CC..Hα-helixtrans-63.7-38.8171.4-172.50000112.5F370 P423 S424 L425 L430 V431F370-C427 HydrophobicContact CB-CB 4.16Å; F370-C427 HydrophobicContact CD2-CB 3.62Å; F370-C427 HydrophobicContact CE2-CB 4.11Å; F370-C427 HydrophobicContact CG-CB 3.89Å; P423-C427 PolarHBondContact O-N 3.42Å; P423-C427 VanDerWaalsContact O-N 3.08Å; S424-C427 WeakPolarHBondContact O-CB 3.45Å; S424-C427 PolarHBondContact O-N 3.13Å; L425-C427 PolarHBondContact O-N 2.95Å; C427-L430 PolarHBondContact O-N 3.49Å; C427-V431 WeakPolarHBondContact O-CG2 3.5Å; C427-V431 PolarHBondContact O-N 3.16Å
428V97.5Very high95.2Very high0 Ų044.7 Ų44.70%020%0.198CC..Hα-helixtrans-64-44.3176-166.80000110.5S424 L425 L430 V431 H432 L472 T475 N476 V479 V613S424-V428 WeakPolarHBondContact O-CG2 3.4Å; S424-V428 PolarHBondContact O-N 3.26Å; L425-V428 WeakPolarHBondContact O-CB 3.35Å; L425-V428 PolarHBondContact O-N 3.23Å; V428-L430 PolarHBondContact O-N 3.43Å; V428-V431 PolarHBondContact O-N 3.41Å; V428-H432 WeakPolarHBondContact O-CB 3.3Å; V428-H432 PolarHBondContact O-N 2.9Å; V428-L472 HydrophobicContact CG1-CD1 3.78Å; V428-T475 HydrophobicContact CG1-CG2 3.62Å; V428-T475 HydrophobicContact CG2-CG2 4.34Å; V428-N476 WeakPolarHBondContact CB-OD1 3.28Å; V428-N476 WeakPolarHBondContact CG1-OD1 3.33Å; V428-V479 HydrophobicContact CG2-CB 4.44Å; V428-V479 HydrophobicContact CG2-CG2 3.85Å; V428-V613 HydrophobicContact CB-CG2 4.4Å; V428-V613 HydrophobicContact CG1-CG2 4.35Å; V428-V613 HydrophobicContact CG2-CG2 3.86Å
429E96.3Very high94.9Very high77 Ų7738.8 Ų38.836%0.3617%0.172SC..Hα-helixtrans-59.8-46.2177.7-65.1177.1170.100112L425 R426 V431 H432 E433L425-E429 PolarHBondContact O-N 3.48Å; L425-E429 VanDerWaalsContact O-N 3.14Å; R426-E429 WeakPolarHBondContact CD-OE2 3.41Å; R426-E429 IonicContact CZ-OE2 3.73Å; R426-E429 IonicContact NE-OE2 3.69Å; R426-E429 IonicContact NH1-OE2 3.68Å; R426-E429 PolarHBondContact NH1-OE2 3.01Å; R426-E429 PolarHBondContact O-N 3.31Å; E429-V431 VanDerWaalsContact C-N 3.34Å; E429-V431 PolarHBondContact O-N 2.91Å; E429-H432 WeakPolarHBondContact O-CB 3.46Å; E429-H432 PolarHBondContact O-N 3.36Å; E429-E433 WeakPolarHBondContact O-CG 3.24Å; E429-E433 PolarHBondContact O-N 3.43Å
430L96.6Very high94.3Very high38 Ų3840.1 Ų40.120%0.19918%0.183CC..Hα-helixtrans-62.1-38178.3-72.2171.5000112.8I365 T369 R426 C427 V428 E434I365-L430 HydrophobicContact CD1-CB 4.35Å; I365-L430 HydrophobicContact CG2-CB 3.86Å; I365-L430 HydrophobicContact CG2-CD1 4.41Å; T369-L430 HydrophobicContact CG2-CD1 3.99Å; R426-L430 HydrophobicContact CG-CD1 4.49Å; R426-L430 WeakPolarHBondContact O-CG 3.31Å; R426-L430 PolarHBondContact O-N 3.46Å; C427-L430 PolarHBondContact O-N 3.49Å; V428-L430 PolarHBondContact O-N 3.43Å; L430-E434 PolarHBondContact O-N 3.47Å; L430-E434 VanDerWaalsContact O-N 3.07Å
431V96.8Very high93.7Very high0 Ų041 Ų410%019%0.187CC..Hα-helixtrans-71.9-36.9174.9176.10000111.3I362 I365 F366 C427 V428 E429 E434 M435 V613 L617 V618I362-V431 HydrophobicContact CG1-CG1 4.4Å; I362-V431 HydrophobicContact CG2-CG1 4.26Å; I362-V431 HydrophobicContact CG2-CG2 4.41Å; I365-V431 HydrophobicContact CB-CG2 4.41Å; I365-V431 HydrophobicContact CG2-CG2 3.83Å; F366-V431 HydrophobicContact CD1-CG2 4.36Å; F366-V431 HydrophobicContact CE1-CG2 3.68Å; F366-V431 HydrophobicContact CZ-CG2 3.95Å; C427-V431 WeakPolarHBondContact O-CG2 3.5Å; C427-V431 PolarHBondContact O-N 3.16Å; V428-V431 PolarHBondContact O-N 3.41Å; E429-V431 VanDerWaalsContact C-N 3.34Å; E429-V431 PolarHBondContact O-N 2.91Å; V431-E434 PolarHBondContact O-N 2.95Å; V431-M435 HydrophobicContact CG1-CG 4.3Å; V431-M435 WeakPolarHBondContact O-CG 3.36Å; V431-M435 PolarHBondContact O-N 2.96Å; V431-V613 HydrophobicContact CB-CG1 3.95Å; V431-V613 HydrophobicContact CG1-CG1 3.71Å; V431-V613 HydrophobicContact CG2-CG1 4.18Å; V431-L617 HydrophobicContact CG1-CD2 4.3Å; V431-V618 HydrophobicContact CG1-CG2 4.01Å
432H95.4Very high93.1Very high18 Ų1839.4 Ų39.48%0.08318%0.18CC..Hα-helixtrans-62.6-44.7172.9173.1-82.8000111.8V428 E429 E434 M435 Q436 L472 L617V428-H432 WeakPolarHBondContact O-CB 3.3Å; V428-H432 PolarHBondContact O-N 2.9Å; E429-H432 WeakPolarHBondContact O-CB 3.46Å; E429-H432 PolarHBondContact O-N 3.36Å; H432-E434 VanDerWaalsContact C-N 3.31Å; H432-E434 PolarHBondContact O-N 3.36Å; H432-M435 PolarHBondContact O-N 2.86Å; H432-Q436 PolarHBondContact CE1-NE2 2.89Å; H432-Q436 PolarHBondContact CE1-OE1 2.87Å; H432-Q436 VanDerWaalsContact CE1-OE1 3.29Å; H432-Q436 PolarHBondContact ND1-OE1 3.34Å; H432-Q436 WeakPolarHBondContact O-CG 3.42Å; H432-Q436 PolarHBondContact O-N 2.98Å; H432-Q436 VanDerWaalsContact O-N 3.07Å; H432-L472 HydrophobicContact CB-CD1 4.23Å; H432-L617 HydrophobicContact CB-CD2 4.35Å
433E94.9Very high92Very high56 Ų5632.4 Ų32.426%0.26215%0.148SC..Hα-helixtrans-56.1-44.7172-71.7175-153.800111.5R426 E429 Q436 R437R426-E433 IonicContact CZ-OE1 3.42Å; R426-E433 IonicContact NH1-OE1 3.89Å; R426-E433 PolarHBondContact NH1-OE1 3.48Å; R426-E433 IonicContact NH2-OE1 2.72Å; R426-E433 PolarHBondContact NH2-OE1 2.94Å; E429-E433 WeakPolarHBondContact O-CG 3.24Å; E429-E433 PolarHBondContact O-N 3.43Å; E433-Q436 WeakPolarHBondContact O-CB 3.35Å; E433-Q436 PolarHBondContact O-N 3.4Å; E433-R437 PolarHBondContact O-N 2.91Å; E433-R437 IonicContact OE2-NH2 3.8Å; E433-R437 PolarHBondContact OE2-NH2 3.3Å
434E94.3Very high90.9Very high4 Ų436.7 Ų36.72%0.01917%0.17CC..Hα-helixtrans-66.2-43.7179.3-173.557.5-15800112.5C357 G358 R361 I362 I365 L430 V431 H432 Q436 R437 I438C357-E434 WeakPolarHBondContact CA-OE1 3.33Å; G358-E434 PolarHBondContact N-OE1 3.47Å; R361-E434 HydrophobicContact CB-CG 4.07Å; R361-E434 WeakPolarHBondContact CB-OE1 3.5Å; R361-E434 HydrophobicContact CG-CG 3.81Å; R361-E434 WeakPolarHBondContact CG-OE1 3.44Å; R361-E434 WeakPolarHBondContact CG-OE2 3.26Å; I362-E434 HydrophobicContact CG1-CB 4.36Å; I362-E434 HydrophobicContact CG1-CG 3.87Å; I365-E434 HydrophobicContact CD1-CB 4.01Å; I365-E434 HydrophobicContact CD1-CG 4.43Å; L430-E434 PolarHBondContact O-N 3.47Å; L430-E434 VanDerWaalsContact O-N 3.07Å; V431-E434 PolarHBondContact O-N 2.95Å; H432-E434 VanDerWaalsContact C-N 3.31Å; H432-E434 PolarHBondContact O-N 3.36Å; E434-Q436 PolarHBondContact O-N 2.94Å; E434-R437 WeakPolarHBondContact O-CA 3.33Å; E434-R437 WeakPolarHBondContact O-CB 3.11Å; E434-R437 PolarHBondContact O-N 3Å; E434-R437 WeakPolarHBondContact OE2-CD 3.33Å; E434-R437 IonicContact OE2-CZ 3.93Å; E434-R437 IonicContact OE2-NH1 2.72Å; E434-R437 PolarHBondContact OE2-NH1 3.29Å; E434-I438 WeakPolarHBondContact O-CG1 3.41Å; E434-I438 PolarHBondContact O-N 3.32Å
435M94.2Very high89.4Confident0 Ų041.3 Ų41.30%019%0.188CC..Hα-helixtrans-58.8-32.4174.4-68.3-76.8-75.500111.8Y340 I344 I362 V431 H432 I438 L468 V618 V621Y340-M435 HydrophobicContact CE1-CE 4.46Å; Y340-M435 PolarHBondContact OH-O 2.99Å; I344-M435 HydrophobicContact CD1-CE 3.75Å; I344-M435 HydrophobicContact CD1-SD 3.81Å; I344-M435 HydrophobicContact CG1-SD 4.17Å; I362-M435 HydrophobicContact CD1-CG 4.43Å; I362-M435 HydrophobicContact CD1-SD 3.87Å; V431-M435 HydrophobicContact CG1-CG 4.3Å; V431-M435 WeakPolarHBondContact O-CG 3.36Å; V431-M435 PolarHBondContact O-N 2.96Å; H432-M435 PolarHBondContact O-N 2.86Å; M435-I438 HydrophobicContact SD-CD1 4.2Å; M435-L468 HydrophobicContact CB-CD1 4.04Å; M435-L468 HydrophobicContact CB-CD2 3.76Å; M435-L468 HydrophobicContact CE-CD2 4.07Å; M435-L468 HydrophobicContact CG-CD2 4.38Å; M435-V618 HydrophobicContact CE-CB 4.5Å; M435-V618 HydrophobicContact CE-CG1 4.3Å; M435-V618 HydrophobicContact SD-CG1 4.22Å; M435-V618 HydrophobicContact SD-CG2 4.27Å; M435-V621 HydrophobicContact CE-CB 4.1Å; M435-V621 HydrophobicContact CE-CG1 4.04Å
436Q92.7Very high87.6Confident54 Ų5441.4 Ų41.425%0.25219%0.193SC..Hα-helixtrans-71.8-36.8172-68.5-179.4-52.900113.1H432 E433 E434 I438 I439 L468H432-Q436 PolarHBondContact CE1-NE2 2.89Å; H432-Q436 PolarHBondContact CE1-OE1 2.87Å; H432-Q436 VanDerWaalsContact CE1-OE1 3.29Å; H432-Q436 PolarHBondContact ND1-OE1 3.34Å; H432-Q436 WeakPolarHBondContact O-CG 3.42Å; H432-Q436 PolarHBondContact O-N 2.98Å; H432-Q436 VanDerWaalsContact O-N 3.07Å; E433-Q436 WeakPolarHBondContact O-CB 3.35Å; E433-Q436 PolarHBondContact O-N 3.4Å; E434-Q436 PolarHBondContact O-N 2.94Å; Q436-I438 VanDerWaalsContact C-N 3.31Å; Q436-I438 PolarHBondContact O-N 2.95Å; Q436-I439 WeakPolarHBondContact O-CB 3.35Å; Q436-I439 PolarHBondContact O-N 3.33Å; Q436-L468 HydrophobicContact CG-CD1 3.8Å
437R90.2Very high85.8Confident96 Ų9636.6 Ų36.636%0.36218%0.175SC..Hα-helixtrans-62.4-36.9173.6-66.5-177.2-162.697.614112E433 E434 I439 Q440 H441E433-R437 PolarHBondContact O-N 2.91Å; E433-R437 IonicContact OE2-NH2 3.8Å; E433-R437 PolarHBondContact OE2-NH2 3.3Å; E434-R437 WeakPolarHBondContact O-CA 3.33Å; E434-R437 WeakPolarHBondContact O-CB 3.11Å; E434-R437 PolarHBondContact O-N 3Å; E434-R437 WeakPolarHBondContact OE2-CD 3.33Å; E434-R437 IonicContact OE2-CZ 3.93Å; E434-R437 IonicContact OE2-NH1 2.72Å; E434-R437 PolarHBondContact OE2-NH1 3.29Å; R437-I439 PolarHBondContact O-N 2.72Å; R437-Q440 WeakPolarHBondContact O-CB 3.32Å; R437-Q440 PolarHBondContact O-N 2.94Å; R437-H441 PolarHBondContact O-N 3.5Å
438I90.3Very high84.2Confident2 Ų242.3 Ų42.31%0.0120%0.202CC..Hα-helixtrans-56.7-38.8176.5-63.2172000111.2Y340 T343 I344 I362 E434 M435 Q436 Q440 H441 C442Y340-I438 HydrophobicContact CD2-CB 4.45Å; Y340-I438 HydrophobicContact CD2-CG2 3.6Å; Y340-I438 HydrophobicContact CE2-CB 4Å; Y340-I438 HydrophobicContact CE2-CG2 3.61Å; Y340-I438 HydrophobicContact CG-CG2 4.31Å; T343-I438 HydrophobicContact CG2-CG1 4.42Å; T343-I438 HydrophobicContact CG2-CG2 3.79Å; I344-I438 HydrophobicContact CD1-CD1 4.49Å; I344-I438 HydrophobicContact CG1-CD1 3.63Å; I362-I438 HydrophobicContact CD1-CD1 4.39Å; E434-I438 WeakPolarHBondContact O-CG1 3.41Å; E434-I438 PolarHBondContact O-N 3.32Å; M435-I438 HydrophobicContact SD-CD1 4.2Å; Q436-I438 VanDerWaalsContact C-N 3.31Å; Q436-I438 PolarHBondContact O-N 2.95Å; I438-Q440 VanDerWaalsContact C-N 3.3Å; I438-Q440 PolarHBondContact O-N 3.27Å; I438-H441 PolarHBondContact O-N 3.5Å; I438-C442 PolarHBondContact O-N 3.04Å; I438-C442 PolarHBondContact O-SG 3.18Å
439I88.9Confident82.9Confident3 Ų346 Ų462%0.01522%0.219CC..Hα-helixtrans-58.1-43.9176.3-52.4170.7000110.8F336 Y340 Q436 R437 S443 V461 V464 L468F336-I439 HydrophobicContact CZ-CG2 4.42Å; Y340-I439 HydrophobicContact CE2-CG1 3.76Å; Q436-I439 WeakPolarHBondContact O-CB 3.35Å; Q436-I439 PolarHBondContact O-N 3.33Å; R437-I439 PolarHBondContact O-N 2.72Å; I439-S443 WeakPolarHBondContact O-CB 3.29Å; I439-S443 PolarHBondContact O-N 3.41Å; I439-S443 PolarHBondContact O-OG 2.9Å; I439-V461 HydrophobicContact CG2-CB 4.32Å; I439-V461 HydrophobicContact CG2-CG1 4.2Å; I439-V461 HydrophobicContact CG2-CG2 3.82Å; I439-V464 HydrophobicContact CD1-CB 3.92Å; I439-V464 HydrophobicContact CD1-CG1 3.65Å; I439-V464 HydrophobicContact CG1-CB 4.42Å; I439-V464 HydrophobicContact CG1-CG1 3.94Å; I439-L468 HydrophobicContact CD1-CD1 4.04Å
440Q83.4Confident82Confident129 Ų12942.6 Ų42.660%0.60320%0.203SC*.Hα-helixtrans-68.3-41.7179.4-60.8176.6-10.400111.4R437 I438 S443 N444R437-Q440 WeakPolarHBondContact O-CB 3.32Å; R437-Q440 PolarHBondContact O-N 2.94Å; I438-Q440 VanDerWaalsContact C-N 3.3Å; I438-Q440 PolarHBondContact O-N 3.27Å; Q440-S443 WeakPolarHBondContact O-CB 3.31Å; Q440-S443 PolarHBondContact O-N 3.25Å; Q440-S443 VanDerWaalsContact O-N 3.15Å; Q440-N444 VanDerWaalsContact O-CG 3.3Å; Q440-N444 PolarHBondContact O-N 3.14Å; Q440-N444 VanDerWaalsContact O-N 3.15Å; Q440-N444 PolarHBondContact O-ND2 2.98Å
441H82.4Confident81Confident18 Ų1845.6 Ų45.68%0.08322%0.216CC..Hα-helixtrans-60.7-50.3175.3-17794.9000111.3E352 R437 I438 S443 N444 Y445E352-H441 IonicContact OE2-CE1 3.13Å; E352-H441 PolarHBondContact OE2-CE1 3.49Å; E352-H441 IonicContact OE2-ND1 2.65Å; E352-H441 PolarHBondContact OE2-ND1 2.88Å; E352-H441 VanDerWaalsContact OE2-ND1 3.15Å; R437-H441 PolarHBondContact O-N 3.5Å; I438-H441 PolarHBondContact O-N 3.5Å; H441-S443 PolarHBondContact O-N 2.91Å; H441-N444 PolarHBondContact O-N 3.32Å; H441-Y445 AromaticContact CD2-CD2 3.91Å; H441-Y445 AromaticContact CE1-CD2 3.52Å; H441-Y445 AromaticContact CE1-CE2 3.39Å; H441-Y445 WeakPolarHBondContact CE1-CE2 3.3Å; H441-Y445 AromaticContact CG-CD2 3.95Å; H441-Y445 AromaticContact ND1-CD2 3.72Å; H441-Y445 AromaticContact ND1-CE2 3.39Å; H441-Y445 WeakPolarHBondContact ND1-CE2 3.47Å; H441-Y445 AromaticContact NE2-CD2 3.65Å; H441-Y445 VanDerWaalsContact O-CD2 3.27Å; H441-Y445 WeakPolarHBondContact O-CD2 3.43Å; H441-Y445 PolarHBondContact O-N 3.37Å
442C81.9Confident80.1Confident2 Ų246.3 Ų46.31%0.01422%0.218CC..Hα-helixtrans-59.8-28.6174.8-62.10000113.1F336 I438 S446 T447F336-C442 HydrophobicContact CE2-CB 4.05Å; I438-C442 PolarHBondContact O-N 3.04Å; I438-C442 PolarHBondContact O-SG 3.18Å; C442-S446 PolarHBondContact O-N 3.34Å; C442-T447 WeakPolarHBondContact O-CG2 3.41Å; C442-T447 PolarHBondContact O-OG1 3.19Å; C442-T447 VanDerWaalsContact O-OG1 3.05Å
443S73.9Confident79.7Confident10 Ų1045.5 Ų45.57%0.0722%0.215CC..Hα-helixtrans-75.2-19.4176.5-59.90000114.5I439 Q440 H441 T447 H457I439-S443 WeakPolarHBondContact O-CB 3.29Å; I439-S443 PolarHBondContact O-N 3.41Å; I439-S443 PolarHBondContact O-OG 2.9Å; Q440-S443 WeakPolarHBondContact O-CB 3.31Å; Q440-S443 PolarHBondContact O-N 3.25Å; Q440-S443 VanDerWaalsContact O-N 3.15Å; H441-S443 PolarHBondContact O-N 2.91Å; S443-T447 VanDerWaalsContact CA-OG1 3.26Å; S443-T447 WeakPolarHBondContact CA-OG1 3.5Å; S443-T447 PolarHBondContact O-OG1 3.35Å; S443-H457 WeakPolarHBondContact CB-NE2 3.45Å; S443-H457 PolarHBondContact OG-NE2 2.81Å
444N71.9Confident79.3Confident110 Ų11045.4 Ų45.459%0.58822%0.219SC*.Hα-helixtrans-94.3-40.6-178.1-70.1-15.5000112.3Q440 H441Q440-N444 VanDerWaalsContact O-CG 3.3Å; Q440-N444 PolarHBondContact O-N 3.14Å; Q440-N444 VanDerWaalsContact O-N 3.15Å; Q440-N444 PolarHBondContact O-ND2 2.98Å; H441-N444 PolarHBondContact O-N 3.32Å
445Y65Low79.1Confident97 Ų9749.2 Ų49.238%0.3824%0.236SC..Hα-helixtrans-98.8-36.4-169.9-62.5-74.9000114.8E352 H441E352-Y445 PolarHBondContact OE1-OH 2.88Å; H441-Y445 AromaticContact CD2-CD2 3.91Å; H441-Y445 AromaticContact CE1-CD2 3.52Å; H441-Y445 AromaticContact CE1-CE2 3.39Å; H441-Y445 WeakPolarHBondContact CE1-CE2 3.3Å; H441-Y445 AromaticContact CG-CD2 3.95Å; H441-Y445 AromaticContact ND1-CD2 3.72Å; H441-Y445 AromaticContact ND1-CE2 3.39Å; H441-Y445 WeakPolarHBondContact ND1-CE2 3.47Å; H441-Y445 AromaticContact NE2-CD2 3.65Å; H441-Y445 VanDerWaalsContact O-CD2 3.27Å; H441-Y445 WeakPolarHBondContact O-CD2 3.43Å; H441-Y445 PolarHBondContact O-N 3.37Å
446S58.4Low78.9Confident46 Ų4649.2 Ų49.232%0.32224%0.236SC..SBendtrans-98.71.3-167.8-59.20000114.3C442C442-S446 PolarHBondContact O-N 3.34Å
447T59.5Low78.7Confident5 Ų549 Ų493%0.03123%0.234CC..  trans-138.135.5-150.941.90000115.2C442 S443 E449 L450 Q451C442-T447 WeakPolarHBondContact O-CG2 3.41Å; C442-T447 PolarHBondContact O-OG1 3.19Å; C442-T447 VanDerWaalsContact O-OG1 3.05Å; S443-T447 VanDerWaalsContact CA-OG1 3.26Å; S443-T447 WeakPolarHBondContact CA-OG1 3.5Å; S443-T447 PolarHBondContact O-OG1 3.35Å; T447-E449 PolarHBondContact O-N 3.43Å; T447-L450 HydrophobicContact CG2-CB 3.67Å; T447-L450 HydrophobicContact CG2-CD1 3.58Å; T447-L450 HydrophobicContact CG2-CG 4.25Å; T447-L450 CarbonylContact O-C 3.54Å; T447-L450 PolarHBondContact O-N 3.32Å; T447-Q451 WeakPolarHBondContact O-CG 3.46Å; T447-Q451 PolarHBondContact O-N 2.94Å
448Q64.1Low78.7Confident124 Ų12450.7 Ų50.758%0.57925%0.246SC*.Hα-helixtrans-55.9-38.7161.8-70.4-174.6-5.400111.2L450 R452Q448-L450 PolarHBondContact O-N 3.43Å; Q448-R452 PolarHBondContact O-N 3.36Å
449E70.3Confident78.8Confident78 Ų7851.4 Ų51.436%0.36425%0.253SS..Hα-helixtrans-62.7-23.6172.2-63.3179.6-160.700114L332 K335 T447 F453L332-E449 HydrophobicContact CD2-CB 3.89Å; L332-E449 WeakPolarHBondContact CD2-OE2 3.4Å; K335-E449 IonicContact NZ-OE1 2.89Å; K335-E449 PolarHBondContact NZ-OE1 3Å; K335-E449 IonicContact NZ-OE2 2.77Å; K335-E449 PolarHBondContact NZ-OE2 2.89Å; T447-E449 PolarHBondContact O-N 3.43Å; E449-F453 VanDerWaalsContact O-CD2 3.3Å; E449-F453 WeakPolarHBondContact O-CD2 3.4Å
450L76.6Confident78.9Confident4 Ų451.3 Ų51.32%0.02125%0.252CS..Hα-helixtrans-100.3-28.4-176.5-113.2164.1000111.7L332 F336 T447 Q448 R452 F453 L456 H457 I460L332-L450 HydrophobicContact CD2-CG 4.39Å; F336-L450 HydrophobicContact CB-CD1 4.32Å; T447-L450 HydrophobicContact CG2-CB 3.67Å; T447-L450 HydrophobicContact CG2-CD1 3.58Å; T447-L450 HydrophobicContact CG2-CG 4.25Å; T447-L450 CarbonylContact O-C 3.54Å; T447-L450 PolarHBondContact O-N 3.32Å; Q448-L450 PolarHBondContact O-N 3.43Å; L450-R452 PolarHBondContact O-N 3.25Å; L450-F453 CarbonylContact O-C 3.51Å; L450-F453 VanDerWaalsContact O-C 3.27Å; L450-F453 WeakPolarHBondContact O-CA 3.46Å; L450-F453 PolarHBondContact O-N 3.5Å; L450-L456 HydrophobicContact CD2-CB 4.25Å; L450-L456 HydrophobicContact CD2-CD2 3.79Å; L450-L456 HydrophobicContact CD2-CG 3.74Å; L450-H457 HydrophobicContact CD2-CB 4.21Å; L450-I460 HydrophobicContact CD1-CD1 4.07Å; L450-I460 HydrophobicContact CD2-CD1 3.83Å
451Q75.3Confident79.3Confident101 Ų10147.2 Ų47.247%0.47224%0.236SC..Hα-helixtrans-61.9-26.6164.8-73.4176.40.800112.2T447 F453T447-Q451 WeakPolarHBondContact O-CG 3.46Å; T447-Q451 PolarHBondContact O-N 2.94Å; Q451-F453 PolarHBondContact O-N 3.37Å
452R77.4Confident79.7Confident15 Ų1553.2 Ų53.26%0.05726%0.264CS..THydrogen-bonded Turntrans-58.3-29.2167.4175.2176.3167.5-163.6-7.7112.8Y318 E320 Q448 L450 P454 E645 S646 R653Y318-R452 WeakPolarHBondContact O-CD 3.47Å; Y318-R452 PolarHBondContact O-NH1 3.22Å; E320-R452 PolarHBondContact O-NH1 2.87Å; E320-R452 PolarHBondContact O-NH2 3.47Å; Q448-R452 PolarHBondContact O-N 3.36Å; L450-R452 PolarHBondContact O-N 3.25Å; R452-P454 WeakPolarHBondContact O-CD 3.42Å; R452-E645 HydrophobicContact CG-CG 4.15Å; R452-E645 IonicContact CZ-OE1 2.76Å; R452-E645 IonicContact NE-OE1 3.15Å; R452-E645 PolarHBondContact NE-OE1 3.11Å; R452-E645 IonicContact NH2-OE1 3.41Å; R452-E645 PolarHBondContact NH2-OE1 3.18Å; R452-E645 CarbonylContact O-C 3.6Å; R452-E645 VanDerWaalsContact O-CA 3.29Å; R452-E645 WeakPolarHBondContact O-CA 3.16Å; R452-S646 PolarHBondContact O-N 3.03Å; R452-R653 VanDerWaalsContact NH2-NH1 3.12Å
453F87.1Confident80.3Confident2 Ų254 Ų541%0.00927%0.269CS..  trans-121.574.2-176.9-56-67.1000111.5V322 L332 E449 L450 Q451 K455 L456 H457 L643 E645V322-F453 HydrophobicContact CG2-CE1 4.11Å; V322-F453 HydrophobicContact CG2-CZ 3.67Å; L332-F453 HydrophobicContact CD1-CD2 3.73Å; L332-F453 HydrophobicContact CD1-CE2 3.79Å; E449-F453 VanDerWaalsContact O-CD2 3.3Å; E449-F453 WeakPolarHBondContact O-CD2 3.4Å; L450-F453 CarbonylContact O-C 3.51Å; L450-F453 VanDerWaalsContact O-C 3.27Å; L450-F453 WeakPolarHBondContact O-CA 3.46Å; L450-F453 PolarHBondContact O-N 3.5Å; Q451-F453 PolarHBondContact O-N 3.37Å; F453-K455 VanDerWaalsContact C-N 3.29Å; F453-K455 PolarHBondContact O-N 3.3Å; F453-L456 HydrophobicContact CB-CB 3.88Å; F453-L456 HydrophobicContact CB-CD2 4.49Å; F453-L456 PolarHBondContact O-N 3.25Å; F453-H457 PolarHBondContact O-N 2.93Å; F453-L643 HydrophobicContact CD1-CB 4.21Å; F453-L643 HydrophobicContact CD1-CD2 4.22Å; F453-L643 WeakPolarHBondContact CD1-O 3.21Å; F453-L643 HydrophobicContact CD2-CD2 4.29Å; F453-L643 HydrophobicContact CE1-CB 4.13Å; F453-L643 HydrophobicContact CE1-CD2 4.27Å; F453-L643 WeakPolarHBondContact CE1-O 3.37Å; F453-L643 HydrophobicContact CE2-CD2 4.36Å; F453-L643 HydrophobicContact CG-CD2 4.22Å; F453-L643 HydrophobicContact CZ-CD2 4.34Å; F453-E645 HydrophobicContact CD1-CG 4.27Å; F453-E645 HydrophobicContact CE1-CG 3.73Å
454P87.4Confident81.3Confident53 Ų5353.6 Ų53.634%0.34427%0.265SS..Hα-helixtrans-54.5-40.7-173.6-2734.8000114R452 L456 H457 E458R452-P454 WeakPolarHBondContact O-CD 3.42Å; P454-L456 PolarHBondContact O-N 3.21Å; P454-H457 WeakPolarHBondContact O-CB 3.41Å; P454-H457 PolarHBondContact O-N 2.98Å; P454-E458 WeakPolarHBondContact O-CG 3.15Å; P454-E458 PolarHBondContact O-N 3.09Å
455K89.9Confident82.3Confident85 Ų8549.4 Ų49.437%0.3724%0.244SC..Hα-helixtrans-63.7-40.3177.9-70.4176.5176.2175.70112.9F453 A459 D641 T644F453-K455 VanDerWaalsContact C-N 3.29Å; F453-K455 PolarHBondContact O-N 3.3Å; K455-A459 VanDerWaalsContact O-CB 3.28Å; K455-A459 WeakPolarHBondContact O-CB 3.45Å; K455-A459 PolarHBondContact O-N 3.29Å; K455-D641 WeakPolarHBondContact CD-O 3.12Å; K455-D641 IonicContact NZ-OD1 3.8Å; K455-D641 PolarHBondContact NZ-OD1 3.07Å; K455-T644 PolarHBondContact NZ-OG1 3.45Å
456L89.8Confident83.7Confident0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-66.2-41.1174177.460.5000111.2L329 L332 L450 F453 P454 A459 I460 L633 L642 L643L329-L456 HydrophobicContact CD1-CD1 3.35Å; L329-L456 HydrophobicContact CD1-CD2 3.69Å; L329-L456 HydrophobicContact CD1-CG 4.18Å; L332-L456 HydrophobicContact CB-CD2 4.26Å; L332-L456 HydrophobicContact CD1-CD2 3.69Å; L450-L456 HydrophobicContact CD2-CB 4.25Å; L450-L456 HydrophobicContact CD2-CD2 3.79Å; L450-L456 HydrophobicContact CD2-CG 3.74Å; F453-L456 HydrophobicContact CB-CB 3.88Å; F453-L456 HydrophobicContact CB-CD2 4.49Å; F453-L456 PolarHBondContact O-N 3.25Å; P454-L456 PolarHBondContact O-N 3.21Å; L456-A459 PolarHBondContact O-N 3.37Å; L456-I460 HydrophobicContact CD1-CD1 3.97Å; L456-I460 HydrophobicContact CD1-CG1 4.08Å; L456-I460 HydrophobicContact CG-CD1 3.92Å; L456-I460 HydrophobicContact CG-CG1 4.43Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.33Å; L456-I460 PolarHBondContact O-N 3.36Å; L456-L633 HydrophobicContact CD1-CD1 4.27Å; L456-L642 HydrophobicContact CB-CB 4.23Å; L456-L642 WeakPolarHBondContact CB-O 3.27Å; L456-L642 HydrophobicContact CD1-CB 4.29Å; L456-L642 HydrophobicContact CD1-CD1 4.34Å; L456-L642 PolarHBondContact N-O 3.48Å; L456-L643 HydrophobicContact CD2-CD2 3.95Å
457H89.1Confident85.4Confident49 Ų4945.4 Ų45.423%0.22723%0.23CC..Hα-helixtrans-59.7-51.7176.7175.2-103.4000111.6S443 L450 F453 P454 A459 I460 V461S443-H457 WeakPolarHBondContact CB-NE2 3.45Å; S443-H457 PolarHBondContact OG-NE2 2.81Å; L450-H457 HydrophobicContact CD2-CB 4.21Å; F453-H457 PolarHBondContact O-N 2.93Å; P454-H457 WeakPolarHBondContact O-CB 3.41Å; P454-H457 PolarHBondContact O-N 2.98Å; H457-A459 VanDerWaalsContact C-N 3.35Å; H457-A459 PolarHBondContact O-N 3.24Å; H457-I460 PolarHBondContact O-N 2.77Å; H457-V461 VanDerWaalsContact O-CG2 3.31Å; H457-V461 WeakPolarHBondContact O-CG2 3.39Å; H457-V461 PolarHBondContact O-N 3.18Å
458E89.7Confident87.1Confident132 Ų13245.2 Ų45.262%0.61723%0.228SC*.Hα-helixtrans-57-46175.7-72.3179.4171.200112P454 I460 V461 E462P454-E458 WeakPolarHBondContact O-CG 3.15Å; P454-E458 PolarHBondContact O-N 3.09Å; E458-I460 PolarHBondContact O-N 2.61Å; E458-V461 PolarHBondContact O-N 2.93Å; E458-E462 WeakPolarHBondContact O-CB 3.27Å; E458-E462 PolarHBondContact O-N 3.03Å
459A91.4Very high88.6Confident17 Ų1747.1 Ų47.114%0.1423%0.23CC..Hα-helixtrans-65.2-37.4179.800000113.1K455 L456 H457 V463 L633 L642K455-A459 VanDerWaalsContact O-CB 3.28Å; K455-A459 WeakPolarHBondContact O-CB 3.45Å; K455-A459 PolarHBondContact O-N 3.29Å; L456-A459 PolarHBondContact O-N 3.37Å; H457-A459 VanDerWaalsContact C-N 3.35Å; H457-A459 PolarHBondContact O-N 3.24Å; A459-V463 VanDerWaalsContact O-CG2 3.29Å; A459-V463 WeakPolarHBondContact O-CG2 3.3Å; A459-V463 PolarHBondContact O-N 3.26Å; A459-L633 HydrophobicContact CB-CD2 3.72Å; A459-L642 HydrophobicContact CB-CD2 3.64Å
460I91.5Very high89.8Confident1 Ų148 Ų481%0.00523%0.233CC..Hα-helixtrans-62.3-51.7171.8-72.1170.4000109.6F336 L450 L456 H457 E458 E462 V463 V464 L629 L633F336-I460 HydrophobicContact CD1-CG2 3.67Å; F336-I460 HydrophobicContact CD2-CG2 4.11Å; F336-I460 HydrophobicContact CE1-CG2 3.51Å; F336-I460 HydrophobicContact CE2-CG2 3.93Å; F336-I460 HydrophobicContact CG-CG2 3.98Å; F336-I460 HydrophobicContact CZ-CG2 3.64Å; L450-I460 HydrophobicContact CD1-CD1 4.07Å; L450-I460 HydrophobicContact CD2-CD1 3.83Å; L456-I460 HydrophobicContact CD1-CD1 3.97Å; L456-I460 HydrophobicContact CD1-CG1 4.08Å; L456-I460 HydrophobicContact CG-CD1 3.92Å; L456-I460 HydrophobicContact CG-CG1 4.43Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.33Å; L456-I460 PolarHBondContact O-N 3.36Å; H457-I460 PolarHBondContact O-N 2.77Å; E458-I460 PolarHBondContact O-N 2.61Å; I460-E462 VanDerWaalsContact C-N 3.28Å; I460-E462 PolarHBondContact O-N 3.01Å; I460-V463 PolarHBondContact O-N 3.24Å; I460-V464 HydrophobicContact CG2-CG2 4.37Å; I460-V464 WeakPolarHBondContact O-CG2 3.49Å; I460-V464 PolarHBondContact O-N 3.29Å; I460-L629 HydrophobicContact CB-CD2 4.37Å; I460-L629 HydrophobicContact CG1-CD2 4.28Å; I460-L629 HydrophobicContact CG2-CD2 4.06Å; I460-L633 HydrophobicContact CG1-CD1 3.54Å
461V91.4Very high90.7Very high42 Ų4249.6 Ų49.626%0.25524%0.238SC..Hα-helixtrans-57.2-42.1-179.6173.20000111.3I439 H457 E458 T465I439-V461 HydrophobicContact CG2-CB 4.32Å; I439-V461 HydrophobicContact CG2-CG1 4.2Å; I439-V461 HydrophobicContact CG2-CG2 3.82Å; H457-V461 VanDerWaalsContact O-CG2 3.31Å; H457-V461 WeakPolarHBondContact O-CG2 3.39Å; H457-V461 PolarHBondContact O-N 3.18Å; E458-V461 PolarHBondContact O-N 2.93Å; V461-T465 WeakPolarHBondContact O-CB 3.22Å; V461-T465 PolarHBondContact O-N 3.48Å; V461-T465 PolarHBondContact O-OG1 3.05Å
462E92.7Very high91.6Very high144 Ų14446.5 Ų46.567%0.67323%0.225SC*.Hα-helixtrans-63.6-47.8176.4-172.5179.5-17200112E458 I460 V464 T465 S466E458-E462 WeakPolarHBondContact O-CB 3.27Å; E458-E462 PolarHBondContact O-N 3.03Å; I460-E462 VanDerWaalsContact C-N 3.28Å; I460-E462 PolarHBondContact O-N 3.01Å; E462-V464 PolarHBondContact O-N 3.39Å; E462-T465 PolarHBondContact O-N 3.07Å; E462-S466 VanDerWaalsContact O-CB 3.24Å; E462-S466 WeakPolarHBondContact O-CB 3.07Å; E462-S466 PolarHBondContact O-N 3.39Å
463V93.9Very high92.5Very high20 Ų2049.4 Ų49.412%0.12125%0.246CC..Hα-helixtrans-62.2-45.1-179.8171.10000111.4A459 I460 S466 L467 E628 L629 Q632 L633A459-V463 VanDerWaalsContact O-CG2 3.29Å; A459-V463 WeakPolarHBondContact O-CG2 3.3Å; A459-V463 PolarHBondContact O-N 3.26Å; I460-V463 PolarHBondContact O-N 3.24Å; V463-S466 PolarHBondContact O-N 2.88Å; V463-L467 WeakPolarHBondContact O-CB 3.09Å; V463-L467 PolarHBondContact O-N 2.68Å; V463-E628 HydrophobicContact CG1-CG 3.98Å; V463-L629 HydrophobicContact CB-CD2 3.94Å; V463-L629 HydrophobicContact CG1-CD2 3.77Å; V463-L629 HydrophobicContact CG1-CG 4.39Å; V463-Q632 HydrophobicContact CG1-CB 4.28Å; V463-Q632 HydrophobicContact CG1-CG 4.08Å; V463-Q632 HydrophobicContact CG2-CB 3.81Å; V463-Q632 HydrophobicContact CG2-CG 4.14Å; V463-L633 HydrophobicContact CG2-CD2 4.12Å; V463-L633 HydrophobicContact CG2-CG 4.46Å
464V93.6Very high93Very high0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-65.8-42.2177.3-1720000111.3F336 Y340 I439 I460 E462 S466 L467 L468 L625 L629F336-V464 HydrophobicContact CE1-CG2 3.87Å; F336-V464 HydrophobicContact CZ-CG2 4.24Å; Y340-V464 HydrophobicContact CE2-CG1 4.33Å; I439-V464 HydrophobicContact CD1-CB 3.92Å; I439-V464 HydrophobicContact CD1-CG1 3.65Å; I439-V464 HydrophobicContact CG1-CB 4.42Å; I439-V464 HydrophobicContact CG1-CG1 3.94Å; I460-V464 HydrophobicContact CG2-CG2 4.37Å; I460-V464 WeakPolarHBondContact O-CG2 3.49Å; I460-V464 PolarHBondContact O-N 3.29Å; E462-V464 PolarHBondContact O-N 3.39Å; V464-S466 VanDerWaalsContact C-N 3.32Å; V464-S466 PolarHBondContact O-N 3.2Å; V464-L467 PolarHBondContact O-N 3.17Å; V464-L468 HydrophobicContact CG1-CD1 4.4Å; V464-L468 WeakPolarHBondContact O-CG 3.27Å; V464-L468 PolarHBondContact O-N 3.5Å; V464-L625 HydrophobicContact CB-CD1 4.31Å; V464-L625 HydrophobicContact CG1-CD1 4.02Å; V464-L625 HydrophobicContact CG2-CD1 3.5Å; V464-L625 VanDerWaalsContact CG2-CD1 3.5Å; V464-L629 HydrophobicContact CG2-CD2 4.12Å
465T94.1Very high93.5Very high22 Ų2249.9 Ų49.914%0.13525%0.245CC..Hα-helixtrans-62.6-39.8176.6-62.10000111.7V461 E462 L468 R469V461-T465 WeakPolarHBondContact O-CB 3.22Å; V461-T465 PolarHBondContact O-N 3.48Å; V461-T465 PolarHBondContact O-OG1 3.05Å; E462-T465 PolarHBondContact O-N 3.07Å; T465-L468 PolarHBondContact O-N 3.02Å; T465-R469 WeakPolarHBondContact O-CG 3.41Å; T465-R469 PolarHBondContact O-N 3.25Å
466S94.6Very high93.8Very high51 Ų5147.8 Ų47.836%0.35724%0.238SC..Hα-helixtrans-64.7-43.8175.2-173.40000111.4E462 V463 V464 R469 K470E462-S466 VanDerWaalsContact O-CB 3.24Å; E462-S466 WeakPolarHBondContact O-CB 3.07Å; E462-S466 PolarHBondContact O-N 3.39Å; V463-S466 PolarHBondContact O-N 2.88Å; V464-S466 VanDerWaalsContact C-N 3.32Å; V464-S466 PolarHBondContact O-N 3.2Å; S466-R469 PolarHBondContact O-N 3.05Å; S466-K470 VanDerWaalsContact O-CG 3.3Å; S466-K470 WeakPolarHBondContact O-CG 3.47Å; S466-K470 PolarHBondContact O-N 3.47Å
467L94.6Very high94.2Very high9 Ų953.8 Ų53.85%0.04727%0.266CS..Hα-helixtrans-59.2-47.3174.8-178.960.4000111.8V463 V464 R469 K470 R471 V621 L625 E628V463-L467 WeakPolarHBondContact O-CB 3.09Å; V463-L467 PolarHBondContact O-N 2.68Å; V464-L467 PolarHBondContact O-N 3.17Å; L467-R469 PolarHBondContact O-N 2.83Å; L467-K470 PolarHBondContact O-N 2.92Å; L467-R471 WeakPolarHBondContact O-CG 3.49Å; L467-R471 PolarHBondContact O-N 2.66Å; L467-R471 VanDerWaalsContact O-N 3.16Å; L467-V621 HydrophobicContact CD2-CG1 4.2Å; L467-V621 HydrophobicContact CG-CG2 4.32Å; L467-L625 HydrophobicContact CD2-CD1 4.48Å; L467-E628 HydrophobicContact CD2-CB 4.48Å
468L95Very high94.6Very high0 Ų054.4 Ų54.40%027%0.269CS..Hα-helixtrans-58.8-46.4175.7-71.7170.3000112M435 Q436 I439 V464 T465 K470 R471 L472 L617 V621M435-L468 HydrophobicContact CB-CD1 4.04Å; M435-L468 HydrophobicContact CB-CD2 3.76Å; M435-L468 HydrophobicContact CE-CD2 4.07Å; M435-L468 HydrophobicContact CG-CD2 4.38Å; Q436-L468 HydrophobicContact CG-CD1 3.8Å; I439-L468 HydrophobicContact CD1-CD1 4.04Å; V464-L468 HydrophobicContact CG1-CD1 4.4Å; V464-L468 WeakPolarHBondContact O-CG 3.27Å; V464-L468 PolarHBondContact O-N 3.5Å; T465-L468 PolarHBondContact O-N 3.02Å; L468-K470 VanDerWaalsContact C-N 3.35Å; L468-K470 PolarHBondContact O-N 3.14Å; L468-R471 PolarHBondContact O-N 3.33Å; L468-R471 VanDerWaalsContact O-N 3.13Å; L468-L472 PolarHBondContact O-N 3.17Å; L468-L617 HydrophobicContact CD2-CD1 3.97Å; L468-V621 HydrophobicContact CD2-CG1 4.34Å; L468-V621 HydrophobicContact CD2-CG2 3.87Å
469R94.9Very high94.9Very high165 Ų16548.1 Ų48.162%0.62324%0.24SC*.Hα-helixtrans-62.2-36.5176.1-71.6177.3-168.7169.57.1113.2T465 S466 L467 R471 P473T465-R469 WeakPolarHBondContact O-CG 3.41Å; T465-R469 PolarHBondContact O-N 3.25Å; S466-R469 PolarHBondContact O-N 3.05Å; L467-R469 PolarHBondContact O-N 2.83Å; R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 3.09Å; R469-P473 WeakPolarHBondContact O-CD 3.43Å
470K95.3Very high95.2Very high97 Ų9751.3 Ų51.342%0.42225%0.252SS..Hα-helixtrans-64.7-32.9174.5-70.9169.9-170.6175.50112.1S466 L467 L468 E628S466-K470 VanDerWaalsContact O-CG 3.3Å; S466-K470 WeakPolarHBondContact O-CG 3.47Å; S466-K470 PolarHBondContact O-N 3.47Å; L467-K470 PolarHBondContact O-N 2.92Å; L468-K470 VanDerWaalsContact C-N 3.35Å; L468-K470 PolarHBondContact O-N 3.14Å; K470-E628 IonicContact NZ-OE1 2.87Å; K470-E628 PolarHBondContact NZ-OE1 3.28Å
471R95.3Very high95.4Very high36 Ų3654.4 Ų54.414%0.13627%0.269CS..Hα-helixtrans-88.3-26.5-176.5-64.4-52.4-59.2-174.30.8114.6L467 L468 R469 I474 T475 F616 L617 H620 V621L467-R471 WeakPolarHBondContact O-CG 3.49Å; L467-R471 PolarHBondContact O-N 2.66Å; L467-R471 VanDerWaalsContact O-N 3.16Å; L468-R471 PolarHBondContact O-N 3.33Å; L468-R471 VanDerWaalsContact O-N 3.13Å; R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 3.09Å; R471-I474 PolarHBondContact O-N 3.08Å; R471-T475 PolarHBondContact O-N 2.94Å; R471-T475 VanDerWaalsContact O-N 3.09Å; R471-T475 PolarHBondContact O-OG1 3.24Å; R471-F616 PolarHBondContact NE-O 2.77Å; R471-F616 PolarHBondContact NH2-O 3.32Å; R471-L617 HydrophobicContact CB-CD1 3.67Å; R471-H620 WeakPolarHBondContact CD-CD2 3.39Å; R471-H620 VanDerWaalsContact CZ-CD2 3.45Å; R471-H620 PolarHBondContact NE-CD2 3.27Å; R471-H620 PolarHBondContact NH1-NE2 2.65Å; R471-V621 HydrophobicContact CG-CG2 4.31Å
472L95.1Very high95.6Very high37 Ų3754 Ų5419%0.19427%0.265CS..Hα-helixtrans-52-53.3177-178.459.4000114.1V428 H432 L468 I474 T475 N476V428-L472 HydrophobicContact CG1-CD1 3.78Å; H432-L472 HydrophobicContact CB-CD1 4.23Å; L468-L472 PolarHBondContact O-N 3.17Å; L472-I474 VanDerWaalsContact C-N 3.33Å; L472-I474 PolarHBondContact O-N 3.36Å; L472-T475 PolarHBondContact O-N 3.38Å; L472-N476 PolarHBondContact O-N 2.91Å
473P96.8Very high95.8Very high75 Ų7547.2 Ų47.249%0.48723%0.233SC..Hα-helixtrans-64.7-35.6-178.225.1-34.3000112.9R469 T475 N476 E477R469-P473 WeakPolarHBondContact O-CD 3.43Å; P473-T475 VanDerWaalsContact C-N 3.32Å; P473-T475 PolarHBondContact O-N 3.1Å; P473-N476 PolarHBondContact O-N 3.44Å; P473-E477 WeakPolarHBondContact O-CB 3.46Å; P473-E477 PolarHBondContact O-N 3.08Å
474I97.3Very high95.8Very high66 Ų6648 Ų4834%0.33824%0.241SC..Hα-helixtrans-64.1-40.1177.4-57172.5000110.5R471 L472 M478 F616R471-I474 PolarHBondContact O-N 3.08Å; L472-I474 VanDerWaalsContact C-N 3.33Å; L472-I474 PolarHBondContact O-N 3.36Å; I474-M478 PolarHBondContact O-N 3.48Å; I474-M478 VanDerWaalsContact O-N 3.12Å; I474-F616 HydrophobicContact CG2-CD1 4.04Å
475T97.3Very high95.9Very high0 Ų053.3 Ų53.30%027%0.269CS..Hα-helixtrans-70.6-40.8177.3-50.80000111.1V428 R471 L472 P473 M478 V479 V613 F616 L617V428-T475 HydrophobicContact CG1-CG2 3.62Å; V428-T475 HydrophobicContact CG2-CG2 4.34Å; R471-T475 PolarHBondContact O-N 2.94Å; R471-T475 VanDerWaalsContact O-N 3.09Å; R471-T475 PolarHBondContact O-OG1 3.24Å; L472-T475 PolarHBondContact O-N 3.38Å; P473-T475 VanDerWaalsContact C-N 3.32Å; P473-T475 PolarHBondContact O-N 3.1Å; T475-M478 PolarHBondContact O-N 3.19Å; T475-V479 WeakPolarHBondContact O-CG2 3.34Å; T475-V479 PolarHBondContact O-N 3.42Å; T475-V613 HydrophobicContact CG2-CB 4.42Å; T475-V613 HydrophobicContact CG2-CG2 3.98Å; T475-F616 HydrophobicContact CG2-CB 4.35Å; T475-L617 HydrophobicContact CG2-CB 4.46Å
476N96.6Very high95.9Very high40 Ų4054 Ų5421%0.21427%0.271CS..Hα-helixtrans-62.9-42.3175.3-73.4-5.2000112.2L425 V428 L472 P473 V479 H480L425-N476 HydrophobicContact CD2-CB 3.9Å; V428-N476 WeakPolarHBondContact CB-OD1 3.28Å; V428-N476 WeakPolarHBondContact CG1-OD1 3.33Å; L472-N476 PolarHBondContact O-N 2.91Å; P473-N476 PolarHBondContact O-N 3.44Å; N476-V479 PolarHBondContact O-N 3.22Å; N476-H480 WeakPolarHBondContact O-CB 3.34Å; N476-H480 PolarHBondContact O-N 3.37Å
477E97.6Very high95.9Very high127 Ų12753.2 Ų53.259%0.59326%0.262SS*.Hα-helixtrans-61.9-43.1175.4-173.8-179.5-179.900111.3P473 V479 H480 N481P473-E477 WeakPolarHBondContact O-CB 3.46Å; P473-E477 PolarHBondContact O-N 3.08Å; E477-V479 PolarHBondContact O-N 3.01Å; E477-H480 PolarHBondContact O-N 3Å; E477-N481 WeakPolarHBondContact O-CB 3.27Å; E477-N481 PolarHBondContact O-N 3.47Å; E477-N481 PolarHBondContact O-ND2 3.02Å; E477-N481 VanDerWaalsContact O-ND2 3.16Å
478M97.5Very high95.8Very high61 Ų6156.4 Ų56.430%0.329%0.29SS..Hα-helixtrans-62.3-42.3174.4-177.162.7-171.800112.3I474 T475 N481 L482 A612 F616I474-M478 PolarHBondContact O-N 3.48Å; I474-M478 VanDerWaalsContact O-N 3.12Å; T475-M478 PolarHBondContact O-N 3.19Å; M478-N481 PolarHBondContact O-N 3.06Å; M478-L482 HydrophobicContact CE-CD2 3.98Å; M478-L482 HydrophobicContact CE-CG 4.12Å; M478-L482 WeakPolarHBondContact O-CG 3.5Å; M478-L482 PolarHBondContact O-N 2.72Å; M478-A612 HydrophobicContact CG-CB 4.15Å; M478-F616 HydrophobicContact CB-CD2 4.26Å; M478-F616 HydrophobicContact CB-CE2 4.24Å; M478-F616 HydrophobicContact CE-CE2 4.34Å; M478-F616 HydrophobicContact CG-CD2 3.91Å; M478-F616 HydrophobicContact CG-CE2 3.58Å; M478-F616 HydrophobicContact CG-CZ 4.23Å; M478-F616 HydrophobicContact SD-CE2 4.03Å; M478-F616 HydrophobicContact SD-CZ 4.27Å
479V96.9Very high95.7Very high0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-66.5-40.6177.8168.40000111.6L425 V428 T475 N476 E477 L482 V483 V609L425-V479 HydrophobicContact CD2-CB 4.36Å; L425-V479 HydrophobicContact CD2-CG1 4.1Å; V428-V479 HydrophobicContact CG2-CB 4.44Å; V428-V479 HydrophobicContact CG2-CG2 3.85Å; T475-V479 WeakPolarHBondContact O-CG2 3.34Å; T475-V479 PolarHBondContact O-N 3.42Å; N476-V479 PolarHBondContact O-N 3.22Å; E477-V479 PolarHBondContact O-N 3.01Å; V479-L482 PolarHBondContact O-N 2.91Å; V479-V483 PolarHBondContact O-N 3.12Å; V479-V609 HydrophobicContact CG1-CG1 4.48Å; V479-V609 HydrophobicContact CG1-CG2 4.25Å; V479-V609 HydrophobicContact CG2-CG1 4.13Å
480H96.9Very high95.6Very high85 Ų8556.4 Ų56.439%0.39429%0.292SS..Hα-helixtrans-58.4-47.3170.6177.779.8000111.1E421 N476 E477 L482 V483 A484E421-H480 IonicContact OE1-CE1 2.68Å; E421-H480 PolarHBondContact OE1-CE1 3.26Å; E421-H480 IonicContact OE1-CG 3.53Å; E421-H480 IonicContact OE1-ND1 3.63Å; E421-H480 PolarHBondContact OE1-ND1 3.07Å; N476-H480 WeakPolarHBondContact O-CB 3.34Å; N476-H480 PolarHBondContact O-N 3.37Å; E477-H480 PolarHBondContact O-N 3Å; H480-L482 VanDerWaalsContact C-N 3.35Å; H480-L482 PolarHBondContact O-N 3.25Å; H480-V483 PolarHBondContact O-N 2.87Å; H480-A484 WeakPolarHBondContact O-CB 3.34Å; H480-A484 PolarHBondContact O-N 2.96Å
481N96.6Very high95.3Very high66 Ų6654.3 Ų54.335%0.35329%0.285SS..Hα-helixtrans-62-37.9178.6-73.5-29.4000112.7E477 M478 V483 A484 I485E477-N481 WeakPolarHBondContact O-CB 3.27Å; E477-N481 PolarHBondContact O-N 3.47Å; E477-N481 PolarHBondContact O-ND2 3.02Å; E477-N481 VanDerWaalsContact O-ND2 3.16Å; M478-N481 PolarHBondContact O-N 3.06Å; N481-V483 PolarHBondContact O-N 2.87Å; N481-A484 PolarHBondContact O-N 3.49Å; N481-I485 WeakPolarHBondContact O-CB 3.38Å; N481-I485 WeakPolarHBondContact O-CD1 3.4Å; N481-I485 WeakPolarHBondContact O-CG1 3.48Å; N481-I485 PolarHBondContact O-N 3.42Å
482L96.2Very high94.9Very high33 Ų3356 Ų5617%0.17330%0.3CS..Hα-helixtrans-58.6-45174.2-74.6173.7000112M478 V479 H480 E486 V609 A612M478-L482 HydrophobicContact CE-CD2 3.98Å; M478-L482 HydrophobicContact CE-CG 4.12Å; M478-L482 WeakPolarHBondContact O-CG 3.5Å; M478-L482 PolarHBondContact O-N 2.72Å; V479-L482 PolarHBondContact O-N 2.91Å; H480-L482 VanDerWaalsContact C-N 3.35Å; H480-L482 PolarHBondContact O-N 3.25Å; L482-E486 PolarHBondContact O-N 3.41Å; L482-V609 HydrophobicContact CD1-CG2 4.44Å; L482-A612 HydrophobicContact CD1-CB 3.94Å
483V95.3Very high94.5Very high1 Ų162.6 Ų62.61%0.00633%0.326CS..Hα-helixtrans-70.9-38.1176.6-175.30000111.2V417 E421 V479 H480 N481 I485 E486 L487 I605V417-V483 HydrophobicContact CG1-CG1 4.29Å; E421-V483 HydrophobicContact CB-CG1 4.25Å; E421-V483 HydrophobicContact CB-CG2 4.39Å; V479-V483 PolarHBondContact O-N 3.12Å; H480-V483 PolarHBondContact O-N 2.87Å; N481-V483 PolarHBondContact O-N 2.87Å; V483-I485 VanDerWaalsContact C-N 3.31Å; V483-I485 PolarHBondContact O-N 2.86Å; V483-E486 PolarHBondContact O-N 3.4Å; V483-L487 HydrophobicContact CG1-CD1 4.29Å; V483-L487 WeakPolarHBondContact O-CG 3.06Å; V483-L487 PolarHBondContact O-N 3.28Å; V483-I605 HydrophobicContact CG2-CD1 4.14Å
484A95.6Very high94.2Very high36 Ų3661 Ų6130%0.29831%0.312SS..Hα-helixtrans-62.8-34.5176.700000113H480 N481 L487 A488H480-A484 WeakPolarHBondContact O-CB 3.34Å; H480-A484 PolarHBondContact O-N 2.96Å; N481-A484 PolarHBondContact O-N 3.49Å; A484-L487 CarbonylContact O-C 3.54Å; A484-L487 PolarHBondContact O-N 3.02Å; A484-A488 WeakPolarHBondContact O-CB 3.48Å; A484-A488 PolarHBondContact O-N 3.33Å
485I95.6Very high93.6Very high112 Ų11261.9 Ų61.957%0.57432%0.323SS*.Hα-helixtrans-63.4-46.9174.2-72.5161.2000110.9N481 V483 L487 A488N481-I485 WeakPolarHBondContact O-CB 3.38Å; N481-I485 WeakPolarHBondContact O-CD1 3.4Å; N481-I485 WeakPolarHBondContact O-CG1 3.48Å; N481-I485 PolarHBondContact O-N 3.42Å; V483-I485 VanDerWaalsContact C-N 3.31Å; V483-I485 PolarHBondContact O-N 2.86Å; I485-L487 PolarHBondContact O-N 3Å; I485-A488 WeakPolarHBondContact O-CB 3.41Å; I485-A488 PolarHBondContact O-N 3.27Å
486E93.6Very high93Very high37 Ų3765.9 Ų65.917%0.17334%0.344CS..Hα-helixtrans-65-26.2176.2-66.2-75.8-169.700112.4V417 L482 V483 V601 N604V417-E486 HydrophobicContact CG1-CB 4.02Å; L482-E486 PolarHBondContact O-N 3.41Å; V483-E486 PolarHBondContact O-N 3.4Å; E486-V601 HydrophobicContact CB-CG1 3.86Å; E486-V601 HydrophobicContact CG-CG1 3.87Å; E486-N604 PolarHBondContact OE1-ND2 3.16Å
487L93.1Very high92.4Very high35 Ų3564.3 Ų64.318%0.18334%0.335CS..Hα-helixtrans-80.8-23172-67174.5000113.7K414 V417 K418 V483 A484 I485K414-L487 HydrophobicContact CB-CD2 3.82Å; K414-L487 WeakPolarHBondContact CD-O 3.5Å; K414-L487 WeakPolarHBondContact CE-O 3.48Å; K414-L487 HydrophobicContact CG-CD2 4.06Å; K414-L487 PolarHBondContact NZ-O 3.41Å; K414-L487 WeakPolarHBondContact O-CD2 3.32Å; V417-L487 HydrophobicContact CB-CD2 3.76Å; V417-L487 HydrophobicContact CG1-CD2 3.73Å; V417-L487 HydrophobicContact CG1-CG 4.07Å; K418-L487 HydrophobicContact CB-CD1 4.17Å; K418-L487 HydrophobicContact CB-CD2 4.44Å; K418-L487 HydrophobicContact CG-CD1 4.47Å; V483-L487 HydrophobicContact CG1-CD1 4.29Å; V483-L487 WeakPolarHBondContact O-CG 3.06Å; V483-L487 PolarHBondContact O-N 3.28Å; A484-L487 CarbonylContact O-C 3.54Å; A484-L487 PolarHBondContact O-N 3.02Å; I485-L487 PolarHBondContact O-N 3Å
488A93.6Very high90.9Very high75 Ų7560.5 Ų60.562%0.6233%0.325SS*.Hα-helixtrans-72.5-47.5-176.800000111.6K414 A484 I485K414-A488 PolarHBondContact NZ-O 2.84Å; A484-A488 WeakPolarHBondContact O-CB 3.48Å; A484-A488 PolarHBondContact O-N 3.33Å; I485-A488 WeakPolarHBondContact O-CB 3.41Å; I485-A488 PolarHBondContact O-N 3.27Å
489Y92.5Very high89.2Confident155 Ų15563.1 Ų63.161%0.60834%0.341SS*.  trans-133.4125.6-174.6-179.5-109000112.6N491Y489-N491 HydrophobicContact CD1-CB 4.19Å; Y489-N491 HydrophobicContact CE1-CB 3.69Å
490I92.1Very high87.4Confident11 Ų1165.1 Ų65.16%0.05636%0.357CS..  trans-99.2111.1176.4-66.6177.2000108.7F409 E410 V413 K414 T492 Y597F409-I490 HydrophobicContact CE1-CG2 3.81Å; F409-I490 HydrophobicContact CZ-CG2 4.18Å; E410-I490 HydrophobicContact CB-CD1 3.9Å; E410-I490 HydrophobicContact CG-CD1 4.03Å; V413-I490 HydrophobicContact CB-CD1 4.11Å; V413-I490 HydrophobicContact CG1-CD1 3.93Å; K414-I490 HydrophobicContact CG-CD1 4.06Å; I490-T492 HydrophobicContact CG2-CG2 4.34Å; I490-T492 PolarHBondContact O-N 3.38Å; I490-Y597 WeakPolarHBondContact CA-OH 3.43Å; I490-Y597 HydrophobicContact CB-CE1 4.5Å; I490-Y597 HydrophobicContact CG1-CE1 4.3Å; I490-Y597 HydrophobicContact CG2-CD1 4.37Å; I490-Y597 HydrophobicContact CG2-CD2 4.21Å; I490-Y597 HydrophobicContact CG2-CE1 3.98Å; I490-Y597 HydrophobicContact CG2-CE2 3.83Å; I490-Y597 HydrophobicContact CG2-CG 4.48Å
491N90.6Very high85.6Confident53 Ų5363 Ų6328%0.28335%0.351SS..  trans-88.886.5-176.7-173.36.8000112Y489 K493 H494 Y597Y489-N491 HydrophobicContact CD1-CB 4.19Å; Y489-N491 HydrophobicContact CE1-CB 3.69Å; N491-K493 PolarHBondContact O-N 3.21Å; N491-K493 WeakPolarHBondContact OD1-CA 3.4Å; N491-K493 WeakPolarHBondContact OD1-CB 3.42Å; N491-K493 PolarHBondContact OD1-N 3.32Å; N491-H494 WeakPolarHBondContact O-CB 3.33Å; N491-H494 PolarHBondContact O-N 3.49Å; N491-Y597 PolarHBondContact N-OH 3.41Å
492T86.8Confident83.7Confident72 Ų7261.4 Ų61.444%0.44235%0.35SS..THydrogen-bonded Turntrans-65.3-4.117556.40000114.4F409 I490 F497F409-T492 HydrophobicContact CE1-CG2 4.27Å; I490-T492 HydrophobicContact CG2-CG2 4.34Å; I490-T492 PolarHBondContact O-N 3.38Å; T492-F497 HydrophobicContact CG2-CE1 4.2Å
493K87.1Confident81.8Confident174 Ų17463.8 Ų63.876%0.75737%0.366SS*.THydrogen-bonded Turntrans-101.411.1172.8-59.8-176.7-179.7178.80113.6N491N491-K493 PolarHBondContact O-N 3.21Å; N491-K493 WeakPolarHBondContact OD1-CA 3.4Å; N491-K493 WeakPolarHBondContact OD1-CB 3.42Å; N491-K493 PolarHBondContact OD1-N 3.32Å
494H88.4Confident79.9Confident42 Ų4265.2 Ų65.219%0.19437%0.373CS..  trans-58.8133.4174.1-170.6-77.5000110.4N491 D496 F497 A498N491-H494 WeakPolarHBondContact O-CB 3.33Å; N491-H494 PolarHBondContact O-N 3.49Å; H494-D496 IonicContact CE1-OD1 3.84Å; H494-D496 IonicContact CE1-OD2 3.65Å; H494-D496 PolarHBondContact ND1-N 3.16Å; H494-D496 PolarHBondContact O-N 2.9Å; H494-F497 HydrophobicContact CB-CB 3.99Å; H494-F497 WeakPolarHBondContact O-CA 3.49Å; H494-F497 WeakPolarHBondContact O-CB 3.36Å; H494-F497 PolarHBondContact O-N 3.12Å; H494-A498 PolarHBondContact O-N 2.96Å
495P86.7Confident77.9Confident85 Ų8568.6 Ų68.655%0.55239%0.386SS*.Hα-helixtrans-51.1-55.6-176.5-29.235.8000113.3F497 A498 D499P495-F497 PolarHBondContact O-N 2.85Å; P495-A498 PolarHBondContact O-N 2.95Å; P495-D499 PolarHBondContact O-N 3.39Å
496D83.9Confident75.7Confident84 Ų8468.3 Ų68.345%0.44939%0.386SS..Hα-helixtrans-60.7-20.4179.6-53.38.7000113.8H494 I600H494-D496 IonicContact CE1-OD1 3.84Å; H494-D496 IonicContact CE1-OD2 3.65Å; H494-D496 PolarHBondContact ND1-N 3.16Å; H494-D496 PolarHBondContact O-N 2.9Å; D496-I600 HydrophobicContact CB-CD1 3.83Å; D496-I600 HydrophobicContact CB-CG1 4.13Å
497F83.8Confident73.6Confident7 Ų770.7 Ų70.73%0.03140%0.4CS..Hα-helixtrans-89.9-36.8176.9-172.1-105.9000111.8F409 T492 H494 P495 A500 C501 L593 S596 Y597 I600F409-F497 HydrophobicContact CE2-CZ 4.33Å; F409-F497 HydrophobicContact CZ-CE2 4.34Å; F409-F497 AromaticContact CZ-CZ 3.85Å; F409-F497 HydrophobicContact CZ-CZ 3.85Å; T492-F497 HydrophobicContact CG2-CE1 4.2Å; H494-F497 HydrophobicContact CB-CB 3.99Å; H494-F497 WeakPolarHBondContact O-CA 3.49Å; H494-F497 WeakPolarHBondContact O-CB 3.36Å; H494-F497 PolarHBondContact O-N 3.12Å; P495-F497 PolarHBondContact O-N 2.85Å; F497-A500 PolarHBondContact O-N 3.36Å; F497-C501 PolarHBondContact O-N 2.83Å; F497-C501 PolarHBondContact O-SG 2.96Å; F497-L593 HydrophobicContact CE2-CD2 4.2Å; F497-L593 HydrophobicContact CZ-CB 4.4Å; F497-L593 HydrophobicContact CZ-CD2 3.76Å; F497-S596 WeakPolarHBondContact CD2-OG 3.42Å; F497-Y597 AromaticContact CD2-CD2 4Å; F497-Y597 HydrophobicContact CD2-CD2 4Å; F497-Y597 HydrophobicContact CE2-CD2 4.16Å; F497-Y597 HydrophobicContact CE2-CG 4.45Å; F497-Y597 HydrophobicContact CG-CD2 4.25Å; F497-I600 HydrophobicContact CB-CD1 3.79Å; F497-I600 HydrophobicContact CD2-CD1 4.44Å
498A66.8Low71.9Confident47 Ų4772.9 Ų72.939%0.38841%0.411SS..Hα-helixtrans-64.3-41.5174.900000111.3H494 P495 C501 G502H494-A498 PolarHBondContact O-N 2.96Å; P495-A498 PolarHBondContact O-N 2.95Å; A498-C501 PolarHBondContact O-N 3.5Å; A498-G502 PolarHBondContact O-N 2.91Å
499D60.2Low69.9Low116 Ų11675.5 Ų75.562%0.6241%0.41SS*.Hα-helixtrans-65.1-41.7175.6-73.3-20.4000111.9P495 C501 G502 V503P495-D499 PolarHBondContact O-N 3.39Å; D499-C501 VanDerWaalsContact C-N 3.29Å; D499-C501 PolarHBondContact O-N 3.21Å; D499-G502 PolarHBondContact O-N 3.35Å; D499-V503 WeakPolarHBondContact O-CG2 3.48Å; D499-V503 PolarHBondContact O-N 3.05Å
500A59.7Low67.9Low41 Ų4173.8 Ų73.834%0.33941%0.408SS..Hα-helixtrans-60.3-38.1173.600000112.2F497 M504 S596F497-A500 PolarHBondContact O-N 3.36Å; A500-M504 WeakPolarHBondContact O-CB 3.37Å; A500-M504 PolarHBondContact O-N 2.77Å; A500-S596 WeakPolarHBondContact CB-OG 3.5Å
501C60.3Low65.9Low41 Ų4179.7 Ų79.728%0.27744%0.435SS..Hα-helixtrans-71.7-38.7174.4-65.70000112.7F497 A498 D499 M504 N505F497-C501 PolarHBondContact O-N 2.83Å; F497-C501 PolarHBondContact O-SG 2.96Å; A498-C501 PolarHBondContact O-N 3.5Å; D499-C501 VanDerWaalsContact C-N 3.29Å; D499-C501 PolarHBondContact O-N 3.21Å; C501-M504 WeakPolarHBondContact O-CB 3.39Å; C501-M504 PolarHBondContact O-N 3.06Å; C501-M504 VanDerWaalsContact O-N 3.17Å; C501-N505 PolarHBondContact O-N 2.6Å; C501-N505 VanDerWaalsContact O-N 3.13Å
502G56.8Low64.3Low32 Ų3285.5 Ų85.533%0.3345%0.453SS..Hα-helixtrans-64-45.1178.200000112.8A498 D499 M504 N505 N506A498-G502 PolarHBondContact O-N 2.91Å; D499-G502 PolarHBondContact O-N 3.35Å; G502-M504 PolarHBondContact O-N 3.39Å; G502-N505 PolarHBondContact O-N 3.11Å; G502-N506 PolarHBondContact O-N 2.71Å
503V55.2Low62.7Low84 Ų8491.6 Ų91.651%0.50947%0.468SS..Hα-helixtrans-62.6-32.2172.7174.60000111.4D499 N506 N507D499-V503 WeakPolarHBondContact O-CG2 3.48Å; D499-V503 PolarHBondContact O-N 3.05Å; V503-N506 PolarHBondContact O-N 2.91Å; V503-N507 PolarHBondContact O-N 2.9Å; V503-N507 VanDerWaalsContact O-N 3.12Å; V503-N507 PolarHBondContact O-ND2 2.87Å
504M55.3Low61Low31 Ų3187.7 Ų87.715%0.15346%0.455CS..Hα-helixtrans-67-41.3177.6-159.1126.182.600112.4A500 C501 G502 I508 R592 L593A500-M504 WeakPolarHBondContact O-CB 3.37Å; A500-M504 PolarHBondContact O-N 2.77Å; C501-M504 WeakPolarHBondContact O-CB 3.39Å; C501-M504 PolarHBondContact O-N 3.06Å; C501-M504 VanDerWaalsContact O-N 3.17Å; G502-M504 PolarHBondContact O-N 3.39Å; M504-I508 HydrophobicContact CG-CD1 4.15Å; M504-I508 WeakPolarHBondContact O-CD1 3.49Å; M504-I508 VanDerWaalsContact O-CG1 3.26Å; M504-I508 WeakPolarHBondContact O-CG1 3.44Å; M504-I508 PolarHBondContact O-N 3.06Å; M504-R592 HydrophobicContact CE-CB 3.87Å; M504-R592 HydrophobicContact SD-CB 4.03Å; M504-R592 WeakPolarHBondContact SD-CD 3.46Å; M504-R592 HydrophobicContact SD-CG 4.42Å; M504-L593 HydrophobicContact CE-CD2 4.12Å; M504-L593 HydrophobicContact CE-CG 4.3Å
505N54.6Low59.3Low107 Ų10795.8 Ų95.857%0.57248%0.484SS*.Hα-helixtrans-62.3-46.8173.6-85.9-10.2000111.8C501 G502 N507 I508 E509C501-N505 PolarHBondContact O-N 2.6Å; C501-N505 VanDerWaalsContact O-N 3.13Å; G502-N505 PolarHBondContact O-N 3.11Å; N505-N507 PolarHBondContact O-N 3.49Å; N505-I508 PolarHBondContact O-N 2.99Å; N505-E509 PolarHBondContact O-N 3.31Å
506N48.7Very low57.4Low105 Ų10598.2 Ų98.256%0.56149%0.49SS*.Hα-helixtrans-59.8-44.9-178.9-67.8-13.2000112.3G502 V503 I508 E509 E510G502-N506 PolarHBondContact O-N 2.71Å; V503-N506 PolarHBondContact O-N 2.91Å; N506-I508 PolarHBondContact O-N 2.85Å; N506-E509 PolarHBondContact O-N 3.24Å; N506-E510 WeakPolarHBondContact O-CB 3.27Å; N506-E510 PolarHBondContact O-N 3.05Å
507N50.3Low55.9Low87 Ų87104.2 Ų104.247%0.46551%0.506SS..Hα-helixtrans-66-35.7178-77.6-33.1000113.1V503 N505 Q511V503-N507 PolarHBondContact O-N 2.9Å; V503-N507 VanDerWaalsContact O-N 3.12Å; V503-N507 PolarHBondContact O-ND2 2.87Å; N505-N507 PolarHBondContact O-N 3.49Å; N507-Q511 WeakPolarHBondContact O-CG 3.49Å; N507-Q511 PolarHBondContact O-N 2.94Å; N507-Q511 VanDerWaalsContact O-N 3.1Å
508I55.9Low54Low81 Ų81112 Ų11242%0.41554%0.542SS..Hα-helixtrans-69.7-41.3176-69167.4000110.3M504 N505 N506 R512M504-I508 HydrophobicContact CG-CD1 4.15Å; M504-I508 WeakPolarHBondContact O-CD1 3.49Å; M504-I508 VanDerWaalsContact O-CG1 3.26Å; M504-I508 WeakPolarHBondContact O-CG1 3.44Å; M504-I508 PolarHBondContact O-N 3.06Å; N505-I508 PolarHBondContact O-N 2.99Å; N506-I508 PolarHBondContact O-N 2.85Å; I508-R512 WeakPolarHBondContact O-CB 3.31Å; I508-R512 PolarHBondContact O-N 3.18Å; I508-R512 VanDerWaalsContact O-N 3.08Å
509E51.7Low52.7Low130 Ų130116.7 Ų116.761%0.60756%0.56SS**Hα-helixtrans-65.6-40174.6-72.4-161.9158.700112.3N505 N506 R512 R513N505-E509 PolarHBondContact O-N 3.31Å; N506-E509 PolarHBondContact O-N 3.24Å; E509-R512 CarbonylContact O-C 3.51Å; E509-R512 WeakPolarHBondContact O-CA 3.29Å; E509-R512 VanDerWaalsContact O-CB 3.27Å; E509-R512 WeakPolarHBondContact O-CB 3.49Å; E509-R512 PolarHBondContact O-N 2.95Å; E509-R512 VanDerWaalsContact O-N 3.09Å; E509-R513 WeakPolarHBondContact O-CB 3.41Å; E509-R513 PolarHBondContact O-N 2.96Å
510E50.3Low52Low119 Ų119117.5 Ų117.556%0.55657%0.572SS**Hα-helixtrans-66.8-40.4179-167.7164.3-135.800112.3N506 R512 R513 N514N506-E510 WeakPolarHBondContact O-CB 3.27Å; N506-E510 PolarHBondContact O-N 3.05Å; E510-R512 VanDerWaalsContact C-N 3.28Å; E510-R512 PolarHBondContact O-N 3.07Å; E510-R513 PolarHBondContact O-N 3.45Å; E510-N514 PolarHBondContact O-N 3.44Å
511Q51.9Low50.7Low135 Ų135120.1 Ų120.163%0.63159%0.594SS**Hα-helixtrans-61-36.8168.5-75.5-171.8-7.700112.5N507 R515N507-Q511 WeakPolarHBondContact O-CG 3.49Å; N507-Q511 PolarHBondContact O-N 2.94Å; N507-Q511 VanDerWaalsContact O-N 3.1Å; Q511-R515 PolarHBondContact O-N 3.01Å
512R55.3Low49.4Very low175 Ų175122.8 Ų122.866%0.6662%0.619SS**Hα-helixtrans-68.2-37.1175.5-140172.2177.4178.2-3.4111.7I508 E509 E510 R515 M516I508-R512 WeakPolarHBondContact O-CB 3.31Å; I508-R512 PolarHBondContact O-N 3.18Å; I508-R512 VanDerWaalsContact O-N 3.08Å; E509-R512 CarbonylContact O-C 3.51Å; E509-R512 WeakPolarHBondContact O-CA 3.29Å; E509-R512 VanDerWaalsContact O-CB 3.27Å; E509-R512 WeakPolarHBondContact O-CB 3.49Å; E509-R512 PolarHBondContact O-N 2.95Å; E509-R512 VanDerWaalsContact O-N 3.09Å; E510-R512 VanDerWaalsContact C-N 3.28Å; E510-R512 PolarHBondContact O-N 3.07Å; R512-R515 PolarHBondContact O-N 3.24Å; R512-M516 HydrophobicContact CG-CE 4.37Å; R512-M516 PolarHBondContact O-N 3.28Å; R512-M516 VanDerWaalsContact O-N 3.15Å
513R54Low48.5Very low200 Ų200128.2 Ų128.276%0.75565%0.645SS**Hα-helixtrans-70.4-39.9179.2-146.8173.7-166.9177.74.7111.7E509 E510 M516 R517E509-R513 WeakPolarHBondContact O-CB 3.41Å; E509-R513 PolarHBondContact O-N 2.96Å; E510-R513 PolarHBondContact O-N 3.45Å; R513-M516 PolarHBondContact O-N 2.91Å; R513-R517 PolarHBondContact O-N 2.65Å
514N50.9Low47.6Very low93 Ų93129.7 Ų129.750%0.49766%0.657SS.*Hα-helixtrans-65.2-41.4173.1-79.2-19.1000112E510 M516 R517E510-N514 PolarHBondContact O-N 3.44Å; N514-M516 VanDerWaalsContact C-N 3.28Å; N514-M516 PolarHBondContact O-N 3.37Å; N514-R517 WeakPolarHBondContact O-CB 3.48Å; N514-R517 PolarHBondContact O-N 2.87Å; N514-R517 VanDerWaalsContact O-N 3.08Å
515R53.6Low46.4Very low211 Ų211139 Ų13980%0.79669%0.69SS**Hα-helixtrans-65.6-25.5173.9-73-175.2-179.1-166.91.8114.3Q511 R512 R517Q511-R515 PolarHBondContact O-N 3.01Å; R512-R515 PolarHBondContact O-N 3.24Å; R515-R517 VanDerWaalsContact C-N 3.32Å
516M47.3Very low45.2Very low136 Ų136139.2 Ų139.267%0.6769%0.691SS**THydrogen-bonded Turntrans-82.3-7.6173.4-101-179.4-79.600113.8R512 R513 N514R512-M516 HydrophobicContact CG-CE 4.37Å; R512-M516 PolarHBondContact O-N 3.28Å; R512-M516 VanDerWaalsContact O-N 3.15Å; R513-M516 PolarHBondContact O-N 2.91Å; N514-M516 VanDerWaalsContact C-N 3.28Å; N514-M516 PolarHBondContact O-N 3.37Å
517R52.1Low44.4Very low210 Ų210142.8 Ų142.879%0.79270%0.702SS**SBendtrans-86.4-12.4179.9-132.7172.4-175.9173.3-1113.3R513 N514 R515 L519R513-R517 PolarHBondContact O-N 2.65Å; N514-R517 WeakPolarHBondContact O-CB 3.48Å; N514-R517 PolarHBondContact O-N 2.87Å; N514-R517 VanDerWaalsContact O-N 3.08Å; R515-R517 VanDerWaalsContact C-N 3.32Å; R517-L519 PolarHBondContact O-N 3.48Å
518E43.9Very low43.2Very low170 Ų170143 Ų14379%0.79472%0.715SS**  trans-99.667178.3-66.2-174.9153.500112
519L38.7Very low42Very low146 Ų146143.9 Ų143.976%0.76474%0.735SS**  trans-133122.2164-79169.7000108.7R517R517-L519 PolarHBondContact O-N 3.48Å
520P45.3Very low40.9Very low133 Ų133142.4 Ų142.486%0.86475%0.745SS**  trans-82.9134.3-172.731.8-33.9000112.2
521A32.3Very low39.9Very low96 Ų96142 Ų14279%0.79376%0.761SS**  trans-141.5126.8172.300000112.7
522A33.5Very low38.8Very low98 Ų98138.9 Ų138.981%0.8177%0.766SS**  trans59119.8160.500000120
523V38.5Very low38.3Very low146 Ų146136.5 Ų136.589%0.88577%0.773SS**  trans-111.1124.9166.5-178.70000109.8
524P35.9Very low37.1Very low115 Ų115136.7 Ų136.775%0.74778%0.783SS**  trans-93.2155.7164-9.228.5000113.7
525R29.2Very low36Very low226 Ų226135.7 Ų135.785%0.85379%0.794SS**  trans-59.9164.6172.4-79.8173.9164.1157.4-7.6112.7
526D30.4Very low34.8Very low112 Ų112134.8 Ų134.860%0.59980%0.799SS**  -162.2148.450.5-115.3-33.7000114.6
527K30.9Very low33.8Very low180 Ų180137.9 Ų137.978%0.78381%0.812SS**  trans40.6149.9135.4-68.3167.3-168150.70122.2
528A26.4Very low32.7Very low90 Ų90134.7 Ų134.774%0.74481%0.81SS**  cis-146.1141.428.900000112.3
529A29.6Very low31.9Very low101 Ų101130.1 Ų130.184%0.83581%0.809SS**  79.7138.492.200000114.9
530A29.6Very low31.4Very low98 Ų98129.1 Ų129.181%0.8181%0.809SS**  cis-156.1166.74.700000113.7
531A29.1Very low30.7Very low110 Ų110126.4 Ų126.491%0.90981%0.806SS**  trans13.4153155.700000122.4
532G29Very low30.8Very low70 Ų70128.1 Ų128.172%0.72280%0.802SS**  cis-179.1-157.919.300000113.3
533P43.6Very low30.4Very low126 Ų126132.7 Ų132.782%0.81880%0.798SS**  -130.1166.4-120.742.8-30.8000119
534Q28.7Very low30Very low204 Ų204136 Ų13695%0.95380%0.795SS**  trans175149.8151.6-96.9162.19.600106.3
535G27.8Very low29.5Very low71 Ų71134.2 Ų134.273%0.73280%0.797SS**  cis14098.317.500000105.7
536E28.1Very low29.4Very low193 Ų193130.9 Ų130.990%0.90279%0.793SS**  96.3115.988.7-174178.8-114.400113.3
537Q28Very low29.4Very low200 Ų200132.3 Ų132.394%0.93580%0.8SS**  trans-166.2158.3132.1-112.5179.719.300113.3
538D28Very low29.2Very low143 Ų143132 Ų13277%0.76580%0.799SS**  trans-128.9167.5-156.4-174.519.5000111.4
539G26.4Very low29.2Very low75 Ų75136.3 Ų136.377%0.77380%0.8SS**  trans-179.196.5179.200000113.8
540T29.6Very low28.9Very low124 Ų124134.2 Ų134.276%0.76179%0.788SS**  trans-111.5142.9-165.136.50000116.2
541G30.9Very low28.7Very low77 Ų77137.7 Ų137.779%0.79479%0.788SS**  trans91.9166.2140.600000120
542N32.5Very low28.6Very low132 Ų132140.2 Ų140.271%0.70678%0.781SS**  cis-171.6177.8-21.4-169.312.3000109.7
543W26.6Very low28.5Very low194 Ų194143.1 Ų143.174%0.73579%0.785SS**  trans95.186.7154.9-63104.7000122.9
544R28.8Very low27.8Very low215 Ų215142.3 Ų142.381%0.81179%0.789SS**  57119.8108.6-143.1179.6-158-141.611.3121.4
545G25.5Very low27.7Very low77 Ų77136.5 Ų136.579%0.79478%0.784SS**  trans-139.4162.2163.500000112.9
546M28.4Very low27.7Very low156 Ų156139.2 Ų139.277%0.76879%0.792SS**  trans-166.3152.4-161.1-174.2174.717300115.4
547L28.8Very low27.7Very low143 Ų143133.6 Ų133.675%0.74979%0.785SS**  trans71.8153.6172.6-68144000116
548K28.2Very low28.4Very low174 Ų174130.5 Ų130.576%0.75778%0.783SS**  cis-162.1159.114-151.3175.7-178.8174.80113.9
549K24.8Very low28.4Very low180 Ų180127.4 Ų127.478%0.78378%0.784SS**  trans73.6155.1145.7-111.4-167.1173.2-145.40122.5
550G24Very low28.6Very low56 Ų56129.4 Ų129.458%0.57779%0.786SS**  trans-137.4-147.9171.800000112
551E26.2Very low29.2Very low172 Ų172128.8 Ų128.880%0.80479%0.785SS**  trans75.8144.6-173.9-81.7164.3153.200114.8
552E26.6Very low29.3Very low162 Ų162134 Ų13476%0.75779%0.793SS**  cis-150.6142.514.5-104.9159.1-177.200108.8
553T27.1Very low29.5Very low131 Ų131136.9 Ų136.980%0.80480%0.799SS**  85.1154.870.473.20000119.4
554A28.3Very low29.8Very low109 Ų109131.1 Ų131.190%0.90180%0.8SS**  trans79.7134.9179.500000117.7
555G27.2Very low30.1Very low83 Ų83125.1 Ų125.186%0.85680%0.796SS**  cis-158.51782.300000114
556S26.8Very low30.9Very low128 Ų128127.2 Ų127.290%0.89579%0.794SS**  trans-108.1149.9-158.154.70000116.9
557G28.5Very low31.5Very low74 Ų74126.6 Ų126.676%0.76379%0.793SS**  trans175.7134.3163.100000113.8
558P42.9Very low32.4Very low136 Ų136127.1 Ų127.188%0.88380%0.796SS**  trans-101.8150.4-166.337.8-34.3000115.4
559G27.6Very low33.3Very low77 Ų77126.1 Ų126.179%0.79480%0.798SS**  trans-161.6113.317100000112.8
560S32Very low34.2Very low118 Ų118125 Ų12583%0.82580%0.801SS**  trans-86.9-172.2-178.3-450000111.8
561P41.3Very low35Very low111 Ų111127.4 Ų127.472%0.72180%0.804SS**  -120.3141.2-106.732.1-13.5000114.4K563P561-K563 PolarHBondContact O-N 2.83Å
562L33.8Very low35.7Very low186 Ų186124.9 Ų124.997%0.97480%0.803SS**  trans-87.590170.5-85.9164.7000112.1G564L562-G564 PolarHBondContact O-N 3.46Å
563K34.9Very low36.6Very low192 Ų192122.7 Ų122.784%0.83580%0.8SS**  trans-16.7106.3160.6-62.8169.8177.2176.20115.4P561 A565P561-K563 PolarHBondContact O-N 2.83Å; K563-A565 PolarHBondContact O-N 2.88Å
564G33.2Very low37.3Very low73 Ų73121.1 Ų121.175%0.75379%0.792SS**  trans-79.699.8139.700000108.1L562 V566L562-G564 PolarHBondContact O-N 3.46Å; G564-V566 PolarHBondContact O-N 3.25Å; G564-V566 VanDerWaalsContact O-N 3.07Å
565A35.6Very low38.2Very low89 Ų89118.4 Ų118.474%0.73676%0.764SS**  trans-72101.2178.100000109.8K563 N567K563-A565 PolarHBondContact O-N 2.88Å; A565-N567 PolarHBondContact O-N 3.29Å
566V42.9Very low39Very low121 Ų121118.9 Ų118.973%0.73376%0.76SS**  trans-71.798169.8-1750000107.6G564 L568G564-V566 PolarHBondContact O-N 3.25Å; G564-V566 VanDerWaalsContact O-N 3.07Å; V566-L568 HydrophobicContact CG1-CD1 4.08Å; V566-L568 PolarHBondContact O-N 3.28Å
567N41.5Very low40.4Very low143 Ų143122.8 Ų122.877%0.76576%0.755SS**  trans-70.1101.4179.7-1356.2000108.6A565 L569A565-N567 PolarHBondContact O-N 3.29Å; N567-L569 VanDerWaalsContact C-N 3.33Å; N567-L569 PolarHBondContact O-N 2.89Å
568L47.6Very low41.9Very low155 Ų155129.1 Ų129.181%0.81276%0.762SS**  trans-90.312.3-164.1-147.198.8000114.4V566V566-L568 HydrophobicContact CG1-CD1 4.08Å; V566-L568 PolarHBondContact O-N 3.28Å
569L45.8Very low42.9Very low152 Ų152124.7 Ų124.780%0.79673%0.731SS**SBendtrans-115.9-21.9-161.2-87162.9000116.8N567N567-L569 VanDerWaalsContact C-N 3.33Å; N567-L569 PolarHBondContact O-N 2.89Å
570D45.3Very low45.3Very low158 Ų158123.4 Ų123.485%0.84571%0.71SS**  trans-145.775.5179.8-91.4-51000112.3
571V39.8Very low47.3Very low106 Ų106122 Ų12264%0.64270%0.699SS**  trans-128.7114.5159.3-177.60000107.1V573V571-V573 PolarHBondContact O-N 3.49Å
572P41.6Very low49Very low119 Ų119122.1 Ų122.177%0.77369%0.685SS**  trans-61.5101.3166.2-16.129.3000107.2P574P572-P574 WeakPolarHBondContact O-CD 3.48Å
573V45Very low51.2Low116 Ų116115.5 Ų115.570%0.70365%0.65SS**  trans-61.7111.6-174.8178.20000108.2V571 V575V571-V573 PolarHBondContact O-N 3.49Å; V573-V575 PolarHBondContact O-N 3.3Å
574P42.8Very low53.4Low98 Ų98110.4 Ų110.464%0.63663%0.629SS**  trans-65.3128.6177.7-16.731.9000107.5P572 A576P572-P574 WeakPolarHBondContact O-CD 3.48Å; P574-A576 PolarHBondContact O-N 3.39Å
575V45.5Very low55.7Low51 Ų51114 Ų11431%0.30962%0.619SS.*SBendtrans-77.249177.8-164.60000110.4I386 L389 V573 R577I386-V575 HydrophobicContact CG1-CG1 4.44Å; I386-V575 HydrophobicContact CG2-CB 3.93Å; I386-V575 HydrophobicContact CG2-CG1 4.1Å; I386-V575 HydrophobicContact CG2-CG2 4.04Å; L389-V575 HydrophobicContact CD2-CG1 3.96Å; V573-V575 PolarHBondContact O-N 3.3Å; V575-R577 VanDerWaalsContact C-N 3.29Å
576A44.5Very low57.9Low94 Ų94111.6 Ų111.678%0.77759%0.594SS**  trans-93.919.5169.600000111.7P574P574-A576 PolarHBondContact O-N 3.39Å
577R56.4Low59.9Low209 Ų209105.8 Ų105.879%0.78956%0.559SS**SBendtrans-76.7131.3161.4-94.9-176.8170.7169.6-1.3108.4V575 L579V575-R577 VanDerWaalsContact C-N 3.29Å; R577-L579 PolarHBondContact O-N 3.11Å; R577-L579 VanDerWaalsContact O-N 3.13Å
578K59.2Low62Low208 Ų208103.1 Ų103.190%0.90454%0.542SS*.PPolyproline II helixtrans-54.4120.4162.1-70.8-177177-1790107.7
579L65.3Low63.8Low43 Ų4398.4 Ų98.423%0.22552%0.52CS..PPolyproline II helixtrans-54.1139.9178.6-63.6167.5000109.6T385 L389 R577 Q584T385-L579 HydrophobicContact CG2-CD1 4.12Å; L389-L579 HydrophobicContact CD1-CD2 4.07Å; L389-L579 HydrophobicContact CD2-CD2 3.54Å; L389-L579 HydrophobicContact CG-CD2 4.32Å; R577-L579 PolarHBondContact O-N 3.11Å; R577-L579 VanDerWaalsContact O-N 3.13Å; L579-Q584 HydrophobicContact CB-CG 3.49Å; L579-Q584 VanDerWaalsContact CB-CG 3.49Å; L579-Q584 HydrophobicContact CD1-CG 4.01Å; L579-Q584 HydrophobicContact CG-CG 4.4Å
580S76.3Confident65.7Low50 Ų5091.2 Ų91.235%0.3548%0.482SS..PPolyproline II helixtrans-68.8152.3172.6670000110.7R582 E583 Q584S580-R582 PolarHBondContact O-N 2.99Å; S580-E583 VanDerWaalsContact CB-OE2 3.26Å; S580-E583 WeakPolarHBondContact CB-OE2 3.49Å; S580-E583 PolarHBondContact N-OE2 3.41Å; S580-E583 PolarHBondContact O-N 2.99Å; S580-E583 VanDerWaalsContact O-N 3.08Å; S580-E583 WeakPolarHBondContact OG-CB 3.36Å; S580-E583 VanDerWaalsContact OG-CD 3.25Å; S580-E583 VanDerWaalsContact OG-CG 3.23Å; S580-E583 WeakPolarHBondContact OG-CG 3.46Å; S580-E583 PolarHBondContact OG-N 2.84Å; S580-E583 PolarHBondContact OG-OE2 3.04Å; S580-Q584 WeakPolarHBondContact O-CG 3.47Å; S580-Q584 PolarHBondContact O-N 3.13Å
581S75.8Confident67.7Low87 Ų8785.8 Ų85.861%0.60845%0.452SS*.THydrogen-bonded Turntrans-64.9-3.4176.760.10000114.2R585S581-R585 PolarHBondContact O-NE 3.28Å; S581-R585 PolarHBondContact O-NH2 3.34Å
582R77.1Confident69.9Low114 Ų11487.1 Ų87.143%0.4345%0.445SS..THydrogen-bonded Turntrans-89.7-56166.8-177.5175-179.8-176.8-2110.2S401 L402 S580 Q584 R585 D586S401-R582 PolarHBondContact O-NH2 3.17Å; L402-R582 PolarHBondContact O-NH2 3.22Å; S580-R582 PolarHBondContact O-N 2.99Å; R582-Q584 PolarHBondContact O-N 3.27Å; R582-R585 PolarHBondContact O-N 3.17Å; R582-D586 WeakPolarHBondContact CG-OD2 3.1Å; R582-D586 VanDerWaalsContact O-CG 3.23Å; R582-D586 PolarHBondContact O-N 3.35Å
583E79.6Confident72.2Confident47 Ų4783.2 Ų83.222%0.2242%0.418CS..Hα-helixtrans-55.4-36.6178-72.3164.9132.700113.3L389 R393 S580 D586 C587L389-E583 HydrophobicContact CD1-CB 3.66Å; L389-E583 HydrophobicContact CD1-CG 3.77Å; R393-E583 IonicContact CZ-OE1 3.99Å; R393-E583 IonicContact NE-OE1 3.79Å; R393-E583 IonicContact NH2-OE1 2.68Å; R393-E583 PolarHBondContact NH2-OE1 3.28Å; S580-E583 VanDerWaalsContact CB-OE2 3.26Å; S580-E583 WeakPolarHBondContact CB-OE2 3.49Å; S580-E583 PolarHBondContact N-OE2 3.41Å; S580-E583 PolarHBondContact O-N 2.99Å; S580-E583 VanDerWaalsContact O-N 3.08Å; S580-E583 WeakPolarHBondContact OG-CB 3.36Å; S580-E583 VanDerWaalsContact OG-CD 3.25Å; S580-E583 VanDerWaalsContact OG-CG 3.23Å; S580-E583 WeakPolarHBondContact OG-CG 3.46Å; S580-E583 PolarHBondContact OG-N 2.84Å; S580-E583 PolarHBondContact OG-OE2 3.04Å; E583-D586 PolarHBondContact O-N 2.91Å; E583-C587 PolarHBondContact O-N 3.5Å; E583-C587 PolarHBondContact O-SG 3.09Å
584Q81.5Confident74.3Confident85 Ų8577.7 Ų77.740%0.39738%0.384SS..Hα-helixtrans-60.9-50.5174.1-70.4177.5-41.800111.8L579 S580 R582 D586 C587 E588L579-Q584 HydrophobicContact CB-CG 3.49Å; L579-Q584 VanDerWaalsContact CB-CG 3.49Å; L579-Q584 HydrophobicContact CD1-CG 4.01Å; L579-Q584 HydrophobicContact CG-CG 4.4Å; S580-Q584 WeakPolarHBondContact O-CG 3.47Å; S580-Q584 PolarHBondContact O-N 3.13Å; R582-Q584 PolarHBondContact O-N 3.27Å; Q584-D586 VanDerWaalsContact C-N 3.32Å; Q584-D586 PolarHBondContact O-N 3.39Å; Q584-C587 PolarHBondContact O-N 3Å; Q584-E588 WeakPolarHBondContact O-CG 3.32Å; Q584-E588 PolarHBondContact O-N 2.87Å
585R81Confident76.6Confident148 Ų14878.1 Ų78.156%0.55838%0.376SS*.Hα-helixtrans-64.3-38.1177.8-72.5-176.6-69.3137.31.9112.1S581 R582 C587 E588 V589S581-R585 PolarHBondContact O-NE 3.28Å; S581-R585 PolarHBondContact O-NH2 3.34Å; R582-R585 PolarHBondContact O-N 3.17Å; R585-C587 VanDerWaalsContact C-N 3.34Å; R585-E588 PolarHBondContact O-N 3.46Å; R585-V589 WeakPolarHBondContact O-CG2 3.37Å; R585-V589 PolarHBondContact O-N 3.21Å
586D81.6Confident78.8Confident39 Ų3976.9 Ų76.921%0.20937%0.37CS..Hα-helixtrans-64.2-40177.7-65.1-15.8000110.8I392 V404 R582 E583 Q584 I590I392-D586 HydrophobicContact CD1-CB 4.42Å; V404-D586 HydrophobicContact CG2-CB 3.55Å; V404-D586 VanDerWaalsContact CG2-CG 3.46Å; R582-D586 WeakPolarHBondContact CG-OD2 3.1Å; R582-D586 VanDerWaalsContact O-CG 3.23Å; R582-D586 PolarHBondContact O-N 3.35Å; E583-D586 PolarHBondContact O-N 2.91Å; Q584-D586 VanDerWaalsContact C-N 3.32Å; Q584-D586 PolarHBondContact O-N 3.39Å; D586-I590 PolarHBondContact O-N 3.4Å
587C85.1Confident81.1Confident0 Ų072.8 Ų72.80%033%0.334CS..Hα-helixtrans-68.7-45.7172.8-62.40000112.3T385 I388 E583 Q584 R585 V589 I590 E591T385-C587 HydrophobicContact CG2-CB 3.7Å; I388-C587 HydrophobicContact CG2-CB 4.14Å; E583-C587 PolarHBondContact O-N 3.5Å; E583-C587 PolarHBondContact O-SG 3.09Å; Q584-C587 PolarHBondContact O-N 3Å; R585-C587 VanDerWaalsContact C-N 3.34Å; C587-V589 VanDerWaalsContact C-N 3.26Å; C587-V589 PolarHBondContact O-N 2.94Å; C587-I590 PolarHBondContact O-N 3.35Å; C587-I590 VanDerWaalsContact O-N 3.1Å; C587-E591 WeakPolarHBondContact O-CG 3.19Å; C587-E591 PolarHBondContact O-N 3.27Å
588E84.9Confident82.9Confident87 Ų8762.9 Ų62.941%0.40730%0.297SS..Hα-helixtrans-57.3-37.4177.7-75.9172.7-143.800112.6Q584 R585 R592Q584-E588 WeakPolarHBondContact O-CG 3.32Å; Q584-E588 PolarHBondContact O-N 2.87Å; R585-E588 PolarHBondContact O-N 3.46Å; E588-R592 VanDerWaalsContact O-CG 3.28Å; E588-R592 WeakPolarHBondContact O-CG 3.37Å; E588-R592 PolarHBondContact O-N 2.88Å; E588-R592 IonicContact OE2-NH2 3.92Å
589V84.8Confident84.6Confident55 Ų5556.1 Ų56.133%0.33327%0.27SS..Hα-helixtrans-66-47.9174.9168.80000110.4R585 C587 R592 L593R585-V589 WeakPolarHBondContact O-CG2 3.37Å; R585-V589 PolarHBondContact O-N 3.21Å; C587-V589 VanDerWaalsContact C-N 3.26Å; C587-V589 PolarHBondContact O-N 2.94Å; V589-R592 PolarHBondContact O-N 3.28Å; V589-L593 HydrophobicContact CG1-CD1 3.86Å; V589-L593 HydrophobicContact CG1-CG 4.39Å; V589-L593 VanDerWaalsContact O-CG 3.29Å; V589-L593 WeakPolarHBondContact O-CG 3.38Å; V589-L593 PolarHBondContact O-N 3.32Å
590I86.1Confident86Confident2 Ų254.9 Ų54.91%0.0126%0.263CS..Hα-helixtrans-61.4-46.1176.7-70.4-169.5000111.7I388 I392 V404 S408 L412 D586 C587 R592 L593 I594I388-I590 HydrophobicContact CG2-CB 4.01Å; I388-I590 HydrophobicContact CG2-CD1 4.36Å; I388-I590 HydrophobicContact CG2-CG2 3.77Å; I392-I590 HydrophobicContact CD1-CD1 3.76Å; I392-I590 HydrophobicContact CG1-CD1 3.5Å; I392-I590 VanDerWaalsContact CG1-CD1 3.5Å; V404-I590 HydrophobicContact CG1-CD1 3.6Å; V404-I590 HydrophobicContact CG1-CG1 3.95Å; S408-I590 WeakPolarHBondContact OG-CD1 3.25Å; L412-I590 HydrophobicContact CD1-CG2 3.9Å; D586-I590 PolarHBondContact O-N 3.4Å; C587-I590 PolarHBondContact O-N 3.35Å; C587-I590 VanDerWaalsContact O-N 3.1Å; I590-R592 VanDerWaalsContact C-N 3.26Å; I590-R592 PolarHBondContact O-N 2.94Å; I590-L593 PolarHBondContact O-N 3.32Å; I590-L593 VanDerWaalsContact O-N 3.16Å; I590-I594 HydrophobicContact CG2-CD1 3.41Å; I590-I594 VanDerWaalsContact CG2-CD1 3.41Å; I590-I594 HydrophobicContact CG2-CG1 3.92Å; I590-I594 WeakPolarHBondContact O-CB 3.28Å; I590-I594 VanDerWaalsContact O-CG1 3.29Å; I590-I594 WeakPolarHBondContact O-CG1 3.49Å; I590-I594 PolarHBondContact O-N 3.31Å
591E88.3Confident86.9Confident43 Ų4352.5 Ų52.520%0.20125%0.247CC..Hα-helixtrans-54.9-43.1178.6-74.8173.9-171.700111.3L380 T385 I388 C587 K595L380-E591 HydrophobicContact CD1-CB 4.32Å; L380-E591 HydrophobicContact CD2-CB 4.39Å; T385-E591 PolarHBondContact OG1-OE1 2.89Å; I388-E591 HydrophobicContact CD1-CG 3.29Å; C587-E591 WeakPolarHBondContact O-CG 3.19Å; C587-E591 PolarHBondContact O-N 3.27Å; E591-K595 VanDerWaalsContact O-CB 3.3Å; E591-K595 WeakPolarHBondContact O-CB 3.5Å; E591-K595 PolarHBondContact O-N 2.93Å
592R86.1Confident87.8Confident135 Ų13550.2 Ų50.251%0.50923%0.225SC..Hα-helixtrans-69.8-40.9177.3-69.2175.1-166.9-169.47.8113M504 E588 V589 I590 K595 S596M504-R592 HydrophobicContact CE-CB 3.87Å; M504-R592 HydrophobicContact SD-CB 4.03Å; M504-R592 WeakPolarHBondContact SD-CD 3.46Å; M504-R592 HydrophobicContact SD-CG 4.42Å; E588-R592 VanDerWaalsContact O-CG 3.28Å; E588-R592 WeakPolarHBondContact O-CG 3.37Å; E588-R592 PolarHBondContact O-N 2.88Å; E588-R592 IonicContact OE2-NH2 3.92Å; V589-R592 PolarHBondContact O-N 3.28Å; I590-R592 VanDerWaalsContact C-N 3.26Å; I590-R592 PolarHBondContact O-N 2.94Å; R592-K595 PolarHBondContact O-N 3.4Å; R592-S596 WeakPolarHBondContact O-CB 3.48Å; R592-S596 PolarHBondContact O-N 2.87Å
593L88.9Confident88.6Confident37 Ų3750.3 Ų50.319%0.19423%0.229CC..Hα-helixtrans-65.1-46.1176.6-67.6172.3000111.2F409 F497 M504 V589 I590 K595 S596 Y597F409-L593 HydrophobicContact CD2-CB 3.71Å; F409-L593 HydrophobicContact CE2-CB 3.71Å; F497-L593 HydrophobicContact CE2-CD2 4.2Å; F497-L593 HydrophobicContact CZ-CB 4.4Å; F497-L593 HydrophobicContact CZ-CD2 3.76Å; M504-L593 HydrophobicContact CE-CD2 4.12Å; M504-L593 HydrophobicContact CE-CG 4.3Å; V589-L593 HydrophobicContact CG1-CD1 3.86Å; V589-L593 HydrophobicContact CG1-CG 4.39Å; V589-L593 VanDerWaalsContact O-CG 3.29Å; V589-L593 WeakPolarHBondContact O-CG 3.38Å; V589-L593 PolarHBondContact O-N 3.32Å; I590-L593 PolarHBondContact O-N 3.32Å; I590-L593 VanDerWaalsContact O-N 3.16Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.16Å; L593-S596 PolarHBondContact O-N 2.96Å; L593-Y597 PolarHBondContact O-N 2.97Å
594I90.5Very high89.3Confident0 Ų050.6 Ų50.60%023%0.231CC..Hα-helixtrans-55.2-51.4174.5-68.2167.6000109.5L380 L383 F409 L412 V413 Q416 I590 S596 Y597 F598L380-I594 HydrophobicContact CD2-CB 4.28Å; L380-I594 HydrophobicContact CD2-CG2 4.03Å; L383-I594 HydrophobicContact CD1-CD1 3.9Å; L383-I594 HydrophobicContact CD1-CG2 4.41Å; F409-I594 HydrophobicContact CD2-CG1 4.04Å; L412-I594 HydrophobicContact CB-CD1 3.54Å; L412-I594 HydrophobicContact CB-CG1 4.26Å; L412-I594 HydrophobicContact CD1-CD1 3.86Å; L412-I594 HydrophobicContact CG-CD1 4.34Å; V413-I594 HydrophobicContact CG2-CB 4.25Å; V413-I594 HydrophobicContact CG2-CG1 3.93Å; V413-I594 HydrophobicContact CG2-CG2 4.32Å; Q416-I594 HydrophobicContact CG-CG2 4.34Å; I590-I594 HydrophobicContact CG2-CD1 3.41Å; I590-I594 VanDerWaalsContact CG2-CD1 3.41Å; I590-I594 HydrophobicContact CG2-CG1 3.92Å; I590-I594 WeakPolarHBondContact O-CB 3.28Å; I590-I594 VanDerWaalsContact O-CG1 3.29Å; I590-I594 WeakPolarHBondContact O-CG1 3.49Å; I590-I594 PolarHBondContact O-N 3.31Å; I594-S596 PolarHBondContact O-N 2.88Å; I594-Y597 PolarHBondContact O-N 2.68Å; I594-F598 WeakPolarHBondContact O-CB 3.21Å; I594-F598 PolarHBondContact O-N 3.33Å
595K91.1Very high90Very high106 Ų10646.7 Ų46.746%0.46121%0.214SC..Hα-helixtrans-59.9-44.9-179.2-177169.9-176.2174.30112.2P379 E591 R592 L593 L599P379-K595 HydrophobicContact CB-CB 4.33Å; P379-K595 HydrophobicContact CB-CG 4.11Å; P379-K595 HydrophobicContact CG-CD 4.33Å; P379-K595 HydrophobicContact CG-CG 3.9Å; E591-K595 VanDerWaalsContact O-CB 3.3Å; E591-K595 WeakPolarHBondContact O-CB 3.5Å; E591-K595 PolarHBondContact O-N 2.93Å; R592-K595 PolarHBondContact O-N 3.4Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.16Å; K595-L599 HydrophobicContact CG-CD1 3.97Å; K595-L599 WeakPolarHBondContact O-CB 3.34Å; K595-L599 WeakPolarHBondContact O-CD1 3.43Å; K595-L599 WeakPolarHBondContact O-CG 3.48Å; K595-L599 PolarHBondContact O-N 3.34Å
596S90.7Very high90.7Very high26 Ų2642.1 Ų42.118%0.18220%0.199CC..Hα-helixtrans-63.3-50.5178.7176.80000111.9F497 A500 R592 L593 I594 L599 I600F497-S596 WeakPolarHBondContact CD2-OG 3.42Å; A500-S596 WeakPolarHBondContact CB-OG 3.5Å; R592-S596 WeakPolarHBondContact O-CB 3.48Å; R592-S596 PolarHBondContact O-N 2.87Å; L593-S596 PolarHBondContact O-N 2.96Å; I594-S596 PolarHBondContact O-N 2.88Å; S596-L599 PolarHBondContact O-N 2.61Å; S596-I600 WeakPolarHBondContact O-CG1 3.47Å; S596-I600 PolarHBondContact O-N 3.13Å
597Y93.3Very high91.3Very high8 Ų844.2 Ų44.23%0.03121%0.209CC..Hα-helixtrans-67.2-44.2-178.4-164.5-91.1000112.2F409 V413 I490 N491 F497 L593 I594 L599 I600 V601F409-Y597 HydrophobicContact CZ-CG 4.25Å; V413-Y597 HydrophobicContact CG1-CD1 3.57Å; V413-Y597 HydrophobicContact CG1-CE1 4.11Å; I490-Y597 WeakPolarHBondContact CA-OH 3.43Å; I490-Y597 HydrophobicContact CB-CE1 4.5Å; I490-Y597 HydrophobicContact CG1-CE1 4.3Å; I490-Y597 HydrophobicContact CG2-CD1 4.37Å; I490-Y597 HydrophobicContact CG2-CD2 4.21Å; I490-Y597 HydrophobicContact CG2-CE1 3.98Å; I490-Y597 HydrophobicContact CG2-CE2 3.83Å; I490-Y597 HydrophobicContact CG2-CG 4.48Å; N491-Y597 PolarHBondContact N-OH 3.41Å; F497-Y597 AromaticContact CD2-CD2 4Å; F497-Y597 HydrophobicContact CD2-CD2 4Å; F497-Y597 HydrophobicContact CE2-CD2 4.16Å; F497-Y597 HydrophobicContact CE2-CG 4.45Å; F497-Y597 HydrophobicContact CG-CD2 4.25Å; L593-Y597 PolarHBondContact O-N 2.97Å; I594-Y597 PolarHBondContact O-N 2.68Å; Y597-L599 VanDerWaalsContact C-N 3.31Å; Y597-L599 PolarHBondContact O-N 2.88Å; Y597-I600 WeakPolarHBondContact O-CB 3.41Å; Y597-I600 PolarHBondContact O-N 2.95Å; Y597-V601 HydrophobicContact CD1-CG2 3.69Å; Y597-V601 HydrophobicContact CE1-CG2 3.31Å; Y597-V601 PolarHBondContact O-N 2.96Å; Y597-V601 VanDerWaalsContact O-N 3.07Å
598F94.4Very high91.8Very high0 Ų046.2 Ų46.20%022%0.224CC..Hα-helixtrans-60.4-39.1179.2177.1-89.9000112.5V377 P379 Q416 V417 L420 I594 I600 V601 R602V377-F598 HydrophobicContact CB-CZ 4.44Å; V377-F598 HydrophobicContact CG1-CZ 3.86Å; P379-F598 HydrophobicContact CB-CB 4.32Å; P379-F598 HydrophobicContact CB-CD1 3.52Å; P379-F598 HydrophobicContact CB-CE1 4.03Å; P379-F598 HydrophobicContact CB-CG 4.11Å; Q416-F598 HydrophobicContact CB-CD2 3.66Å; Q416-F598 HydrophobicContact CB-CE2 3.88Å; V417-F598 HydrophobicContact CG2-CD2 4.25Å; L420-F598 HydrophobicContact CD1-CD2 4.46Å; L420-F598 HydrophobicContact CD1-CE2 3.83Å; L420-F598 HydrophobicContact CD1-CZ 4.19Å; L420-F598 HydrophobicContact CD2-CE2 4.1Å; L420-F598 HydrophobicContact CD2-CZ 3.74Å; L420-F598 HydrophobicContact CG-CE2 3.97Å; L420-F598 HydrophobicContact CG-CZ 4.14Å; I594-F598 WeakPolarHBondContact O-CB 3.21Å; I594-F598 PolarHBondContact O-N 3.33Å; F598-I600 VanDerWaalsContact C-N 3.3Å; F598-I600 PolarHBondContact O-N 3.26Å; F598-V601 PolarHBondContact O-N 2.97Å; F598-R602 HydrophobicContact CE1-CB 4.38Å; F598-R602 WeakPolarHBondContact O-CB 3.31Å; F598-R602 PolarHBondContact O-N 3.4Å
599L93.9Very high92.4Very high66 Ų6642.1 Ų42.135%0.34620%0.204SC..Hα-helixtrans-65.5-33.5178.6-72.7171.1000112.5K595 S596 Y597 K603K595-L599 HydrophobicContact CG-CD1 3.97Å; K595-L599 WeakPolarHBondContact O-CB 3.34Å; K595-L599 WeakPolarHBondContact O-CD1 3.43Å; K595-L599 WeakPolarHBondContact O-CG 3.48Å; K595-L599 PolarHBondContact O-N 3.34Å; S596-L599 PolarHBondContact O-N 2.61Å; Y597-L599 VanDerWaalsContact C-N 3.31Å; Y597-L599 PolarHBondContact O-N 2.88Å; L599-K603 PolarHBondContact O-N 3.19Å; L599-K603 VanDerWaalsContact O-N 3.17Å
600I94.2Very high93Very high17 Ų1740.4 Ų40.49%0.08719%0.194CC..Hα-helixtrans-66.9-52.8173.4-63162.9000109.9D496 F497 S596 Y597 F598 R602 K603 N604D496-I600 HydrophobicContact CB-CD1 3.83Å; D496-I600 HydrophobicContact CB-CG1 4.13Å; F497-I600 HydrophobicContact CB-CD1 3.79Å; F497-I600 HydrophobicContact CD2-CD1 4.44Å; S596-I600 WeakPolarHBondContact O-CG1 3.47Å; S596-I600 PolarHBondContact O-N 3.13Å; Y597-I600 WeakPolarHBondContact O-CB 3.41Å; Y597-I600 PolarHBondContact O-N 2.95Å; F598-I600 VanDerWaalsContact C-N 3.3Å; F598-I600 PolarHBondContact O-N 3.26Å; I600-R602 VanDerWaalsContact C-N 3.29Å; I600-R602 PolarHBondContact O-N 3.49Å; I600-K603 WeakPolarHBondContact O-CB 3.42Å; I600-K603 PolarHBondContact O-N 3.21Å; I600-K603 VanDerWaalsContact O-N 3.12Å; I600-N604 PolarHBondContact O-N 3.27Å; I600-N604 PolarHBondContact O-OD1 2.88Å
601V95.2Very high93.6Very high1 Ų146.4 Ų46.41%0.00622%0.22CC..Hα-helixtrans-58.6-41.4178.6175.30000111.8V417 L420 E486 Y597 F598 K603 N604 I605V417-V601 HydrophobicContact CB-CG1 4.45Å; V417-V601 HydrophobicContact CG1-CG1 3.79Å; V417-V601 HydrophobicContact CG2-CB 4.22Å; V417-V601 HydrophobicContact CG2-CG1 3.82Å; V417-V601 HydrophobicContact CG2-CG2 4.33Å; L420-V601 HydrophobicContact CD1-CG1 4.29Å; E486-V601 HydrophobicContact CB-CG1 3.86Å; E486-V601 HydrophobicContact CG-CG1 3.87Å; Y597-V601 HydrophobicContact CD1-CG2 3.69Å; Y597-V601 HydrophobicContact CE1-CG2 3.31Å; Y597-V601 PolarHBondContact O-N 2.96Å; Y597-V601 VanDerWaalsContact O-N 3.07Å; F598-V601 PolarHBondContact O-N 2.97Å; V601-K603 VanDerWaalsContact C-N 3.34Å; V601-K603 PolarHBondContact O-N 3.44Å; V601-N604 WeakPolarHBondContact O-CB 3.47Å; V601-N604 PolarHBondContact O-N 3.26Å; V601-I605 HydrophobicContact CG1-CD1 3.81Å; V601-I605 HydrophobicContact CG1-CG1 4.47Å; V601-I605 WeakPolarHBondContact O-CG1 3.37Å; V601-I605 PolarHBondContact O-N 2.99Å
602R95.3Very high94Very high38 Ų3844.7 Ų44.714%0.14321%0.214CC..Hα-helixtrans-60.2-43.2176.8-173.7176.579.5166.611.1111.9L374 E375 V377 L420 F598 I600 I605 Q606L374-R602 HydrophobicContact CB-CG 4.2Å; L374-R602 WeakPolarHBondContact O-CD 3.49Å; L374-R602 PolarHBondContact O-NH1 3.04Å; E375-R602 PolarHBondContact O-NH1 2.77Å; V377-R602 PolarHBondContact O-NH1 3.34Å; L420-R602 HydrophobicContact CD1-CB 4.29Å; L420-R602 HydrophobicContact CD2-CG 4.19Å; F598-R602 HydrophobicContact CE1-CB 4.38Å; F598-R602 WeakPolarHBondContact O-CB 3.31Å; F598-R602 PolarHBondContact O-N 3.4Å; I600-R602 VanDerWaalsContact C-N 3.29Å; I600-R602 PolarHBondContact O-N 3.49Å; R602-I605 PolarHBondContact O-N 2.88Å; R602-Q606 WeakPolarHBondContact O-CB 3.39Å; R602-Q606 PolarHBondContact O-N 3.41Å
603K94.6Very high94.6Very high117 Ų11738.3 Ų38.351%0.50919%0.19SC..Hα-helixtrans-63.8-44.6175.3-174.7-174.8174.6-168.90111.2L599 I600 V601 I605 Q606 D607L599-K603 PolarHBondContact O-N 3.19Å; L599-K603 VanDerWaalsContact O-N 3.17Å; I600-K603 WeakPolarHBondContact O-CB 3.42Å; I600-K603 PolarHBondContact O-N 3.21Å; I600-K603 VanDerWaalsContact O-N 3.12Å; V601-K603 VanDerWaalsContact C-N 3.34Å; V601-K603 PolarHBondContact O-N 3.44Å; K603-I605 VanDerWaalsContact C-N 3.33Å; K603-I605 PolarHBondContact O-N 3.29Å; K603-Q606 WeakPolarHBondContact O-CB 3.25Å; K603-Q606 PolarHBondContact O-N 2.91Å; K603-D607 PolarHBondContact O-N 3.39Å
604N94.8Very high94.9Very high52 Ų5239.5 Ų39.528%0.27820%0.195SC..Hα-helixtrans-57.8-44.2175.5-67.1-7.6000112E486 I600 V601 D607 S608E486-N604 PolarHBondContact OE1-ND2 3.16Å; I600-N604 PolarHBondContact O-N 3.27Å; I600-N604 PolarHBondContact O-OD1 2.88Å; V601-N604 WeakPolarHBondContact O-CB 3.47Å; V601-N604 PolarHBondContact O-N 3.26Å; N604-D607 PolarHBondContact O-N 3.39Å; N604-S608 WeakPolarHBondContact O-CB 3.4Å; N604-S608 PolarHBondContact O-N 3.43Å; N604-S608 PolarHBondContact O-OG 2.83Å
605I95.8Very high95.2Very high4 Ų445.2 Ų45.22%0.02122%0.222CC..Hα-helixtrans-68.3-42.2178.5-72.7170.7000111.3F370 L374 L420 V483 V601 R602 K603 D607 S608 V609F370-I605 HydrophobicContact CZ-CG2 4.34Å; L374-I605 HydrophobicContact CD1-CG2 4.16Å; L420-I605 HydrophobicContact CB-CD1 3.97Å; L420-I605 HydrophobicContact CD1-CD1 3.69Å; L420-I605 HydrophobicContact CG-CD1 4.48Å; V483-I605 HydrophobicContact CG2-CD1 4.14Å; V601-I605 HydrophobicContact CG1-CD1 3.81Å; V601-I605 HydrophobicContact CG1-CG1 4.47Å; V601-I605 WeakPolarHBondContact O-CG1 3.37Å; V601-I605 PolarHBondContact O-N 2.99Å; R602-I605 PolarHBondContact O-N 2.88Å; K603-I605 VanDerWaalsContact C-N 3.33Å; K603-I605 PolarHBondContact O-N 3.29Å; I605-D607 PolarHBondContact O-N 3.02Å; I605-S608 PolarHBondContact O-N 2.94Å; I605-V609 HydrophobicContact CG2-CG2 3.85Å; I605-V609 WeakPolarHBondContact O-CG2 3.44Å; I605-V609 PolarHBondContact O-N 3.33Å
606Q94.8Very high95.5Very high52 Ų5242.9 Ų42.924%0.24321%0.212CC..Hα-helixtrans-55.9-37.5175-170.9171.91.200111.9L374 R602 K603 P610L374-Q606 HydrophobicContact CD1-CB 3.78Å; L374-Q606 HydrophobicContact CD1-CG 4.29Å; R602-Q606 WeakPolarHBondContact O-CB 3.39Å; R602-Q606 PolarHBondContact O-N 3.41Å; K603-Q606 WeakPolarHBondContact O-CB 3.25Å; K603-Q606 PolarHBondContact O-N 2.91Å; Q606-P610 WeakPolarHBondContact O-CD 3.47Å; Q606-P610 VanDerWaalsContact O-CG 3.28Å; Q606-P610 WeakPolarHBondContact O-CG 3.35Å
607D94.9Very high95.7Very high82 Ų8241.7 Ų41.744%0.43920%0.203SC..Hα-helixtrans-81.8-33.7175.6-92.9-46.6000114.5K603 N604 I605 K611K603-D607 PolarHBondContact O-N 3.39Å; N604-D607 PolarHBondContact O-N 3.39Å; I605-D607 PolarHBondContact O-N 3.02Å; D607-K611 WeakPolarHBondContact O-CD 3.31Å; D607-K611 WeakPolarHBondContact O-CE 3.21Å; D607-K611 VanDerWaalsContact O-CG 3.31Å; D607-K611 WeakPolarHBondContact O-CG 3.31Å; D607-K611 PolarHBondContact O-NZ 3.39Å; D607-K611 IonicContact OD1-NZ 3.56Å
608S96.3Very high95.9Very high43 Ų4341.3 Ų41.330%0.30120%0.202SC..Hα-helixtrans-87.8-35.8-168.9-59.80000113.4N604 I605 K611 A612N604-S608 WeakPolarHBondContact O-CB 3.4Å; N604-S608 PolarHBondContact O-N 3.43Å; N604-S608 PolarHBondContact O-OG 2.83Å; I605-S608 PolarHBondContact O-N 2.94Å; S608-K611 PolarHBondContact O-N 2.93Å; S608-A612 PolarHBondContact O-N 3.38Å
609V97.1Very high95.9Very high0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-65.1-46.5-179.6171.20000112F370 V479 L482 I605 K611 A612 V613F370-V609 HydrophobicContact CE1-CB 3.87Å; F370-V609 HydrophobicContact CE1-CG1 4.09Å; F370-V609 HydrophobicContact CZ-CB 3.78Å; F370-V609 HydrophobicContact CZ-CG1 3.86Å; F370-V609 HydrophobicContact CZ-CG2 4.14Å; V479-V609 HydrophobicContact CG1-CG1 4.48Å; V479-V609 HydrophobicContact CG1-CG2 4.25Å; V479-V609 HydrophobicContact CG2-CG1 4.13Å; L482-V609 HydrophobicContact CD1-CG2 4.44Å; I605-V609 HydrophobicContact CG2-CG2 3.85Å; I605-V609 WeakPolarHBondContact O-CG2 3.44Å; I605-V609 PolarHBondContact O-N 3.33Å; V609-K611 VanDerWaalsContact C-N 3.29Å; V609-K611 PolarHBondContact O-N 3.25Å; V609-A612 PolarHBondContact O-N 3.43Å; V609-A612 VanDerWaalsContact O-N 3.16Å; V609-V613 HydrophobicContact CG1-CG2 4.44Å; V609-V613 WeakPolarHBondContact O-CG2 3.5Å; V609-V613 PolarHBondContact O-N 2.97Å
610P97.7Very high96Very high19 Ų1944.5 Ų44.512%0.12322%0.217CC..Hα-helixtrans-57.3-40.5173.9-28.638.3000113.1F366 F370 Q606 V613 M614F366-P610 HydrophobicContact CB-CB 4.1Å; F366-P610 HydrophobicContact CB-CG 4.05Å; F366-P610 HydrophobicContact CD1-CB 3.63Å; F366-P610 HydrophobicContact CD1-CG 3.84Å; F366-P610 HydrophobicContact CD2-CB 4.05Å; F366-P610 HydrophobicContact CE1-CB 3.97Å; F366-P610 HydrophobicContact CE1-CG 4.5Å; F366-P610 HydrophobicContact CE2-CB 4.35Å; F366-P610 HydrophobicContact CG-CB 3.68Å; F366-P610 HydrophobicContact CG-CG 4.04Å; F366-P610 HydrophobicContact CZ-CB 4.32Å; F370-P610 HydrophobicContact CD1-CG 4.26Å; F370-P610 HydrophobicContact CE1-CG 4.28Å; Q606-P610 WeakPolarHBondContact O-CD 3.47Å; Q606-P610 VanDerWaalsContact O-CG 3.28Å; Q606-P610 WeakPolarHBondContact O-CG 3.35Å; P610-V613 PolarHBondContact O-N 3.39Å; P610-M614 WeakPolarHBondContact O-CB 3.16Å; P610-M614 VanDerWaalsContact O-CG 3.31Å; P610-M614 WeakPolarHBondContact O-CG 3.31Å; P610-M614 PolarHBondContact O-N 3.49Å
611K97.4Very high96Very high128 Ų12843.7 Ų43.756%0.55721%0.213SC*.Hα-helixtrans-64.9-41.3177.4-66.6167.8-166.3151.90111.5D607 S608 V609 H615D607-K611 WeakPolarHBondContact O-CD 3.31Å; D607-K611 WeakPolarHBondContact O-CE 3.21Å; D607-K611 VanDerWaalsContact O-CG 3.31Å; D607-K611 WeakPolarHBondContact O-CG 3.31Å; D607-K611 PolarHBondContact O-NZ 3.39Å; D607-K611 IonicContact OD1-NZ 3.56Å; S608-K611 PolarHBondContact O-N 2.93Å; V609-K611 VanDerWaalsContact C-N 3.29Å; V609-K611 PolarHBondContact O-N 3.25Å; K611-H615 WeakPolarHBondContact O-CB 3.31Å; K611-H615 PolarHBondContact O-N 3.44Å
612A97.3Very high96Very high8 Ų846.6 Ų46.67%0.06623%0.225CC..Hα-helixtrans-64.4-45.1175.300000112M478 L482 S608 V609 H615 F616M478-A612 HydrophobicContact CG-CB 4.15Å; L482-A612 HydrophobicContact CD1-CB 3.94Å; S608-A612 PolarHBondContact O-N 3.38Å; V609-A612 PolarHBondContact O-N 3.43Å; V609-A612 VanDerWaalsContact O-N 3.16Å; A612-H615 PolarHBondContact O-N 3.28Å; A612-F616 WeakPolarHBondContact O-CB 3.25Å; A612-F616 WeakPolarHBondContact O-CD2 3.15Å; A612-F616 PolarHBondContact O-N 2.91Å
613V97.6Very high95.9Very high0 Ų050.7 Ų50.70%025%0.25CC..Hα-helixtrans-63.3-45.2176.7177.30000111.2F366 V428 V431 T475 V609 P610 H615 L617 V618F366-V613 HydrophobicContact CE1-CB 3.95Å; F366-V613 HydrophobicContact CE1-CG1 4.01Å; F366-V613 HydrophobicContact CE1-CG2 4.42Å; F366-V613 HydrophobicContact CZ-CB 3.96Å; F366-V613 HydrophobicContact CZ-CG1 3.86Å; V428-V613 HydrophobicContact CB-CG2 4.4Å; V428-V613 HydrophobicContact CG1-CG2 4.35Å; V428-V613 HydrophobicContact CG2-CG2 3.86Å; V431-V613 HydrophobicContact CB-CG1 3.95Å; V431-V613 HydrophobicContact CG1-CG1 3.71Å; V431-V613 HydrophobicContact CG2-CG1 4.18Å; T475-V613 HydrophobicContact CG2-CB 4.42Å; T475-V613 HydrophobicContact CG2-CG2 3.98Å; V609-V613 HydrophobicContact CG1-CG2 4.44Å; V609-V613 WeakPolarHBondContact O-CG2 3.5Å; V609-V613 PolarHBondContact O-N 2.97Å; P610-V613 PolarHBondContact O-N 3.39Å; V613-H615 VanDerWaalsContact C-N 3.33Å; V613-H615 PolarHBondContact O-N 3.06Å; V613-L617 HydrophobicContact CG1-CB 4.45Å; V613-L617 HydrophobicContact CG1-CD2 4.33Å; V613-L617 WeakPolarHBondContact O-CA 3.29Å; V613-L617 WeakPolarHBondContact O-CB 3.48Å; V613-L617 PolarHBondContact O-N 3.12Å; V613-V618 PolarHBondContact O-N 3.41Å; V613-V618 VanDerWaalsContact O-N 3.16Å
614M96.8Very high95.8Very high63 Ų6346 Ų4631%0.3123%0.232SC..Iπ-helixtrans-59.4-42.7175.7-75.6-61-63.800112.1I362 F366 P610 V618 N619I362-M614 HydrophobicContact CG2-SD 4.43Å; F366-M614 HydrophobicContact CE2-CG 3.77Å; F366-M614 HydrophobicContact CE2-SD 3.81Å; F366-M614 HydrophobicContact CZ-CG 4.07Å; F366-M614 HydrophobicContact CZ-SD 4.27Å; P610-M614 WeakPolarHBondContact O-CB 3.16Å; P610-M614 VanDerWaalsContact O-CG 3.31Å; P610-M614 WeakPolarHBondContact O-CG 3.31Å; P610-M614 PolarHBondContact O-N 3.49Å; M614-V618 HydrophobicContact CE-CB 4.26Å; M614-V618 HydrophobicContact CE-CG1 4.06Å; M614-V618 PolarHBondContact O-N 3.29Å; M614-V618 HydrophobicContact SD-CB 3.88Å; M614-V618 HydrophobicContact SD-CG1 4.06Å; M614-V618 HydrophobicContact SD-CG2 3.85Å; M614-N619 VanDerWaalsContact O-CB 3.25Å; M614-N619 WeakPolarHBondContact O-CB 3.3Å; M614-N619 PolarHBondContact O-N 3.18Å
615H97.1Very high95.7Very high119 Ų11943.6 Ų43.655%0.55122%0.219SC*.Iπ-helixtrans-73.5-52.3-178.9-172.872.2000113.3K611 A612 V613K611-H615 WeakPolarHBondContact O-CB 3.31Å; K611-H615 PolarHBondContact O-N 3.44Å; A612-H615 PolarHBondContact O-N 3.28Å; V613-H615 VanDerWaalsContact C-N 3.33Å; V613-H615 PolarHBondContact O-N 3.06Å
616F96.6Very high95.5Very high58 Ų5847.8 Ų47.825%0.25424%0.239SC..Iπ-helixtrans-84.6-23.9-170.4-74.4-83.8000114.5R471 I474 T475 M478 A612R471-F616 PolarHBondContact NE-O 2.77Å; R471-F616 PolarHBondContact NH2-O 3.32Å; I474-F616 HydrophobicContact CG2-CD1 4.04Å; T475-F616 HydrophobicContact CG2-CB 4.35Å; M478-F616 HydrophobicContact CB-CD2 4.26Å; M478-F616 HydrophobicContact CB-CE2 4.24Å; M478-F616 HydrophobicContact CE-CE2 4.34Å; M478-F616 HydrophobicContact CG-CD2 3.91Å; M478-F616 HydrophobicContact CG-CE2 3.58Å; M478-F616 HydrophobicContact CG-CZ 4.23Å; M478-F616 HydrophobicContact SD-CE2 4.03Å; M478-F616 HydrophobicContact SD-CZ 4.27Å; A612-F616 WeakPolarHBondContact O-CB 3.25Å; A612-F616 WeakPolarHBondContact O-CD2 3.15Å; A612-F616 PolarHBondContact O-N 2.91Å
617L95.8Very high95.5Very high0 Ų049 Ų490%025%0.253CS..Iπ-helixtrans-110-68.3178.4-176.462.9000111.5V431 H432 L468 R471 T475 V613 V621V431-L617 HydrophobicContact CG1-CD2 4.3Å; H432-L617 HydrophobicContact CB-CD2 4.35Å; L468-L617 HydrophobicContact CD2-CD1 3.97Å; R471-L617 HydrophobicContact CB-CD1 3.67Å; T475-L617 HydrophobicContact CG2-CB 4.46Å; V613-L617 HydrophobicContact CG1-CB 4.45Å; V613-L617 HydrophobicContact CG1-CD2 4.33Å; V613-L617 WeakPolarHBondContact O-CA 3.29Å; V613-L617 WeakPolarHBondContact O-CB 3.48Å; V613-L617 PolarHBondContact O-N 3.12Å; L617-V621 HydrophobicContact CD1-CG2 4.28Å; L617-V621 WeakPolarHBondContact O-CB 3.46Å; L617-V621 WeakPolarHBondContact O-CG2 3.22Å; L617-V621 PolarHBondContact O-N 2.88Å
618V95.8Very high95.4Very high1 Ų147.6 Ų47.61%0.00624%0.244CC..Iπ-helixtrans-66-57.6-165.5-175.80000112.5I344 V431 M435 V613 M614 V621 K622I344-V618 HydrophobicContact CG2-CG1 3.69Å; V431-V618 HydrophobicContact CG1-CG2 4.01Å; M435-V618 HydrophobicContact CE-CB 4.5Å; M435-V618 HydrophobicContact CE-CG1 4.3Å; M435-V618 HydrophobicContact SD-CG1 4.22Å; M435-V618 HydrophobicContact SD-CG2 4.27Å; V613-V618 PolarHBondContact O-N 3.41Å; V613-V618 VanDerWaalsContact O-N 3.16Å; M614-V618 HydrophobicContact CE-CB 4.26Å; M614-V618 HydrophobicContact CE-CG1 4.06Å; M614-V618 PolarHBondContact O-N 3.29Å; M614-V618 HydrophobicContact SD-CB 3.88Å; M614-V618 HydrophobicContact SD-CG1 4.06Å; M614-V618 HydrophobicContact SD-CG2 3.85Å; V618-V621 PolarHBondContact O-N 3.41Å; V618-K622 WeakPolarHBondContact O-CB 3.45Å; V618-K622 PolarHBondContact O-N 2.97Å
619N95.4Very high95.2Very high63 Ų6345.5 Ų45.534%0.33723%0.229SC..Iπ-helixtrans-66.4-41.4-179-65.6-5000111.2M614 V621 K622 D623M614-N619 VanDerWaalsContact O-CB 3.25Å; M614-N619 WeakPolarHBondContact O-CB 3.3Å; M614-N619 PolarHBondContact O-N 3.18Å; N619-V621 VanDerWaalsContact C-N 3.33Å; N619-V621 PolarHBondContact O-N 3.29Å; N619-K622 WeakPolarHBondContact O-CB 3.47Å; N619-K622 PolarHBondContact O-N 2.64Å; N619-D623 WeakPolarHBondContact O-CB 3.44Å; N619-D623 VanDerWaalsContact O-CG 3.23Å; N619-D623 PolarHBondContact O-N 2.68Å
620H95.8Very high95Very high70 Ų7047.5 Ų47.532%0.32424%0.242SC..Hα-helixtrans-59.4-44176.6-176.283.3000112.2R471 S624R471-H620 WeakPolarHBondContact CD-CD2 3.39Å; R471-H620 VanDerWaalsContact CZ-CD2 3.45Å; R471-H620 PolarHBondContact NE-CD2 3.27Å; R471-H620 PolarHBondContact NH1-NE2 2.65Å; H620-S624 VanDerWaalsContact O-CB 3.3Å; H620-S624 WeakPolarHBondContact O-CB 3.11Å; H620-S624 PolarHBondContact O-N 3.08Å; H620-S624 PolarHBondContact O-OG 3.12Å
621V94.9Very high94.7Very high0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-63.6-48.4175.3170.70000109.9Y340 M435 L467 L468 R471 L617 V618 N619 D623 S624 L625Y340-V621 HydrophobicContact CE1-CG1 4.11Å; M435-V621 HydrophobicContact CE-CB 4.1Å; M435-V621 HydrophobicContact CE-CG1 4.04Å; L467-V621 HydrophobicContact CD2-CG1 4.2Å; L467-V621 HydrophobicContact CG-CG2 4.32Å; L468-V621 HydrophobicContact CD2-CG1 4.34Å; L468-V621 HydrophobicContact CD2-CG2 3.87Å; R471-V621 HydrophobicContact CG-CG2 4.31Å; L617-V621 HydrophobicContact CD1-CG2 4.28Å; L617-V621 WeakPolarHBondContact O-CB 3.46Å; L617-V621 WeakPolarHBondContact O-CG2 3.22Å; L617-V621 PolarHBondContact O-N 2.88Å; V618-V621 PolarHBondContact O-N 3.41Å; N619-V621 VanDerWaalsContact C-N 3.33Å; N619-V621 PolarHBondContact O-N 3.29Å; V621-D623 VanDerWaalsContact C-N 3.31Å; V621-D623 PolarHBondContact O-N 3.07Å; V621-S624 PolarHBondContact O-N 3.42Å; V621-L625 WeakPolarHBondContact O-CA 3.12Å; V621-L625 WeakPolarHBondContact O-CB 3.39Å; V621-L625 PolarHBondContact O-N 2.97Å
622K93.7Very high94.3Very high61 Ų6146.2 Ų46.227%0.26525%0.249SC..Hα-helixtrans-51.3-47.6177.3-170.6-159.2-179.2-1700112.7C341 E345 V618 N619C341-K622 HydrophobicContact CB-CG 4.19Å; C341-K622 WeakPolarHBondContact SG-CG 3.48Å; E345-K622 VanDerWaalsContact OE1-CE 3.27Å; E345-K622 WeakPolarHBondContact OE1-CE 3.32Å; E345-K622 IonicContact OE1-NZ 3.56Å; E345-K622 PolarHBondContact OE1-NZ 3.24Å; V618-K622 WeakPolarHBondContact O-CB 3.45Å; V618-K622 PolarHBondContact O-N 2.97Å; N619-K622 WeakPolarHBondContact O-CB 3.47Å; N619-K622 PolarHBondContact O-N 2.64Å
623D93.4Very high94Very high124 Ų12446.1 Ų46.166%0.66325%0.247SC*.Hα-helixtrans-78.9-25-175.2-60.4-21.7000113.2N619 V621N619-D623 WeakPolarHBondContact O-CB 3.44Å; N619-D623 VanDerWaalsContact O-CG 3.23Å; N619-D623 PolarHBondContact O-N 2.68Å; V621-D623 VanDerWaalsContact C-N 3.31Å; V621-D623 PolarHBondContact O-N 3.07Å
624S93.6Very high93.6Very high20 Ų2051 Ų5114%0.1427%0.266CS..Hα-helixtrans-102.3-12.9-178.562.90000115H620 V621 Q626 S627 E628H620-S624 VanDerWaalsContact O-CB 3.3Å; H620-S624 WeakPolarHBondContact O-CB 3.11Å; H620-S624 PolarHBondContact O-N 3.08Å; H620-S624 PolarHBondContact O-OG 3.12Å; V621-S624 PolarHBondContact O-N 3.42Å; S624-Q626 PolarHBondContact O-N 2.97Å; S624-S627 PolarHBondContact O-N 2.94Å; S624-S627 PolarHBondContact O-OG 3.21Å; S624-E628 WeakPolarHBondContact O-CB 3.28Å; S624-E628 PolarHBondContact O-N 3.45Å
625L92.9Very high93.2Very high1 Ų152.2 Ų52.21%0.00527%0.27CS..Hα-helixtrans-56.4-50.3-173.8176.863.7000112.4A337 Y340 V464 L467 V621 S627 L629A337-L625 HydrophobicContact CB-CD2 4.23Å; A337-L625 HydrophobicContact CB-CG 4.36Å; Y340-L625 HydrophobicContact CD1-CD2 3.29Å; Y340-L625 HydrophobicContact CE1-CD2 3.9Å; Y340-L625 HydrophobicContact CG-CD2 3.75Å; V464-L625 HydrophobicContact CB-CD1 4.31Å; V464-L625 HydrophobicContact CG1-CD1 4.02Å; V464-L625 HydrophobicContact CG2-CD1 3.5Å; V464-L625 VanDerWaalsContact CG2-CD1 3.5Å; L467-L625 HydrophobicContact CD2-CD1 4.48Å; V621-L625 WeakPolarHBondContact O-CA 3.12Å; V621-L625 WeakPolarHBondContact O-CB 3.39Å; V621-L625 PolarHBondContact O-N 2.97Å; L625-S627 PolarHBondContact O-N 2.9Å; L625-L629 HydrophobicContact CD1-CD1 3.69Å; L625-L629 HydrophobicContact CD1-CG 4.04Å; L625-L629 HydrophobicContact CG-CD1 3.83Å; L625-L629 VanDerWaalsContact O-CB 3.31Å; L625-L629 WeakPolarHBondContact O-CB 3.17Å; L625-L629 VanDerWaalsContact O-CG 3.24Å; L625-L629 WeakPolarHBondContact O-CG 3.15Å; L625-L629 PolarHBondContact O-N 3.39Å
626Q91.6Very high92.1Very high91 Ų9151.7 Ų51.743%0.42528%0.28SS..Hα-helixtrans-66.1-39.5-176.8-169.4179.26.800111.6T334 A337 S624 V630T334-Q626 PolarHBondContact OG1-NE2 3.44Å; A337-Q626 HydrophobicContact CB-CB 4.09Å; A337-Q626 HydrophobicContact CB-CG 4.32Å; S624-Q626 PolarHBondContact O-N 2.97Å; Q626-V630 WeakPolarHBondContact O-CB 3.13Å; Q626-V630 VanDerWaalsContact O-CG2 3.26Å; Q626-V630 WeakPolarHBondContact O-CG2 3.31Å; Q626-V630 PolarHBondContact O-N 3.29Å
627S93.3Very high91.5Very high79 Ų7952.1 Ų52.155%0.55230%0.3SS*.Hα-helixtrans-74.4-37.1-179.352.90000112.8S624 L625 G631S624-S627 PolarHBondContact O-N 2.94Å; S624-S627 PolarHBondContact O-OG 3.21Å; L625-S627 PolarHBondContact O-N 2.9Å; S627-G631 PolarHBondContact O-N 3.27Å
628E92.8Very high90.9Very high51 Ų5155.2 Ų55.224%0.23832%0.317CS..Hα-helixtrans-68.2-43.7172.5-173.675.6-173.800110.9V463 L467 K470 S624 G631 Q632V463-E628 HydrophobicContact CG1-CG 3.98Å; L467-E628 HydrophobicContact CD2-CB 4.48Å; K470-E628 IonicContact NZ-OE1 2.87Å; K470-E628 PolarHBondContact NZ-OE1 3.28Å; S624-E628 WeakPolarHBondContact O-CB 3.28Å; S624-E628 PolarHBondContact O-N 3.45Å; E628-G631 PolarHBondContact O-N 3.1Å; E628-Q632 HydrophobicContact CG-CG 4.26Å; E628-Q632 WeakPolarHBondContact O-CB 3.42Å; E628-Q632 VanDerWaalsContact O-CG 3.25Å; E628-Q632 WeakPolarHBondContact O-CG 3.23Å; E628-Q632 PolarHBondContact O-N 2.83Å; E628-Q632 PolarHBondContact OE1-NE2 3.03Å
629L92.6Very high90.3Very high0 Ų056.2 Ų56.20%032%0.322CS..Hα-helixtrans-60.1-48.4176.1-76171.3000111.9I333 F336 I460 V463 V464 L625 Q632 L633I333-L629 HydrophobicContact CG2-CB 3.67Å; I333-L629 HydrophobicContact CG2-CD1 4.21Å; F336-L629 HydrophobicContact CD1-CD1 3.86Å; F336-L629 HydrophobicContact CE1-CD1 4.13Å; I460-L629 HydrophobicContact CB-CD2 4.37Å; I460-L629 HydrophobicContact CG1-CD2 4.28Å; I460-L629 HydrophobicContact CG2-CD2 4.06Å; V463-L629 HydrophobicContact CB-CD2 3.94Å; V463-L629 HydrophobicContact CG1-CD2 3.77Å; V463-L629 HydrophobicContact CG1-CG 4.39Å; V464-L629 HydrophobicContact CG2-CD2 4.12Å; L625-L629 HydrophobicContact CD1-CD1 3.69Å; L625-L629 HydrophobicContact CD1-CG 4.04Å; L625-L629 HydrophobicContact CG-CD1 3.83Å; L625-L629 VanDerWaalsContact O-CB 3.31Å; L625-L629 WeakPolarHBondContact O-CB 3.17Å; L625-L629 VanDerWaalsContact O-CG 3.24Å; L625-L629 WeakPolarHBondContact O-CG 3.15Å; L625-L629 PolarHBondContact O-N 3.39Å; L629-Q632 PolarHBondContact O-N 3.19Å; L629-L633 HydrophobicContact CD2-CD1 3.92Å; L629-L633 VanDerWaalsContact O-CB 3.25Å; L629-L633 WeakPolarHBondContact O-CB 3.44Å; L629-L633 WeakPolarHBondContact O-CG 3.37Å; L629-L633 PolarHBondContact O-N 2.91Å
630V92.8Very high89.7Confident42 Ų4258.4 Ų58.426%0.25533%0.334SS..Hα-helixtrans-63-47.5175.8172.80000110.4L330 I333 Q626 Q632 L633 Y634L330-V630 HydrophobicContact CD2-CG1 4.23Å; L330-V630 HydrophobicContact CD2-CG2 4.07Å; I333-V630 HydrophobicContact CG2-CG2 3.95Å; Q626-V630 WeakPolarHBondContact O-CB 3.13Å; Q626-V630 VanDerWaalsContact O-CG2 3.26Å; Q626-V630 WeakPolarHBondContact O-CG2 3.31Å; Q626-V630 PolarHBondContact O-N 3.29Å; V630-Q632 VanDerWaalsContact C-N 3.29Å; V630-Q632 PolarHBondContact O-N 3.34Å; V630-L633 PolarHBondContact O-N 3.43Å; V630-Y634 HydrophobicContact CG1-CG 4.42Å; V630-Y634 WeakPolarHBondContact O-CA 3.3Å; V630-Y634 WeakPolarHBondContact O-CB 3.28Å; V630-Y634 PolarHBondContact O-N 3.48Å
631G91.1Very high89.3Confident49 Ų4958.9 Ų58.951%0.50534%0.338SS..Hα-helixtrans-62-31.8-179.400000114.4S627 E628 K635S627-G631 PolarHBondContact O-N 3.27Å; E628-G631 PolarHBondContact O-N 3.1Å; G631-K635 VanDerWaalsContact O-CE 3.31Å; G631-K635 WeakPolarHBondContact O-CE 3.4Å
632Q90.2Very high88.9Confident70 Ų7059.4 Ų59.433%0.32734%0.341SS..Hα-helixtrans-84.9-43.2177.9-64.8-63.3-1.100113.3V463 E628 L629 V630 K635V463-Q632 HydrophobicContact CG1-CB 4.28Å; V463-Q632 HydrophobicContact CG1-CG 4.08Å; V463-Q632 HydrophobicContact CG2-CB 3.81Å; V463-Q632 HydrophobicContact CG2-CG 4.14Å; E628-Q632 HydrophobicContact CG-CG 4.26Å; E628-Q632 WeakPolarHBondContact O-CB 3.42Å; E628-Q632 VanDerWaalsContact O-CG 3.25Å; E628-Q632 WeakPolarHBondContact O-CG 3.23Å; E628-Q632 PolarHBondContact O-N 2.83Å; E628-Q632 PolarHBondContact OE1-NE2 3.03Å; L629-Q632 PolarHBondContact O-N 3.19Å; V630-Q632 VanDerWaalsContact C-N 3.29Å; V630-Q632 PolarHBondContact O-N 3.34Å; Q632-K635 WeakPolarHBondContact O-CD 3.45Å; Q632-K635 WeakPolarHBondContact O-CE 3.26Å; Q632-K635 PolarHBondContact O-NZ 3.29Å
633L89.9Confident88.6Confident7 Ų757.1 Ų57.14%0.03733%0.332CS..Hα-helixtrans-97.7-29.6-168-55.7175.8000113.6I333 L456 A459 I460 V463 L629 V630 K635 L642I333-L633 HydrophobicContact CD1-CB 3.92Å; I333-L633 HydrophobicContact CD1-CD1 4.03Å; I333-L633 HydrophobicContact CG1-CD1 4.34Å; L456-L633 HydrophobicContact CD1-CD1 4.27Å; A459-L633 HydrophobicContact CB-CD2 3.72Å; I460-L633 HydrophobicContact CG1-CD1 3.54Å; V463-L633 HydrophobicContact CG2-CD2 4.12Å; V463-L633 HydrophobicContact CG2-CG 4.46Å; L629-L633 HydrophobicContact CD2-CD1 3.92Å; L629-L633 VanDerWaalsContact O-CB 3.25Å; L629-L633 WeakPolarHBondContact O-CB 3.44Å; L629-L633 WeakPolarHBondContact O-CG 3.37Å; L629-L633 PolarHBondContact O-N 2.91Å; V630-L633 PolarHBondContact O-N 3.43Å; L633-K635 PolarHBondContact O-N 2.72Å; L633-L642 HydrophobicContact CB-CD1 4.23Å; L633-L642 HydrophobicContact CD2-CD1 4.25Å
634Y89.7Confident88.2Confident101 Ų10154 Ų5440%0.39632%0.317SS..  trans-80.367.7-179-166.9-103000111.5L329 L330 V630L329-Y634 HydrophobicContact CD2-CD2 4.2Å; L330-Y634 HydrophobicContact CD1-CD2 4.27Å; L330-Y634 HydrophobicContact CD1-CE2 3.64Å; L330-Y634 HydrophobicContact CD2-CD2 3.7Å; L330-Y634 HydrophobicContact CD2-CE2 3.95Å; L330-Y634 HydrophobicContact CD2-CG 4.17Å; L330-Y634 HydrophobicContact CG-CD2 3.76Å; L330-Y634 HydrophobicContact CG-CE2 3.58Å; V630-Y634 HydrophobicContact CG1-CG 4.42Å; V630-Y634 WeakPolarHBondContact O-CA 3.3Å; V630-Y634 WeakPolarHBondContact O-CB 3.28Å; V630-Y634 PolarHBondContact O-N 3.48Å
635K88.8Confident87.5Confident89 Ų8955.3 Ų55.339%0.38732%0.321SS..  trans-124.2128.8178.3-65.4171.7-174.5146.60109G631 Q632 L633 G637 L638 L639G631-K635 VanDerWaalsContact O-CE 3.31Å; G631-K635 WeakPolarHBondContact O-CE 3.4Å; Q632-K635 WeakPolarHBondContact O-CD 3.45Å; Q632-K635 WeakPolarHBondContact O-CE 3.26Å; Q632-K635 PolarHBondContact O-NZ 3.29Å; L633-K635 PolarHBondContact O-N 2.72Å; K635-G637 PolarHBondContact O-N 2.93Å; K635-G637 VanDerWaalsContact O-N 3.11Å; K635-L638 HydrophobicContact CB-CB 4.45Å; K635-L638 HydrophobicContact CB-CD1 4.16Å; K635-L638 HydrophobicContact CB-CG 4.2Å; K635-L638 HydrophobicContact CD-CD1 4.03Å; K635-L638 PolarHBondContact O-N 2.64Å; K635-L639 PolarHBondContact O-N 3.49Å
636S74.3Confident87.1Confident108 Ų10856.8 Ų56.876%0.75533%0.332SS*.THydrogen-bonded Turntrans-54.3-34.2-175.151.70000114.3L638S636-L638 VanDerWaalsContact C-N 3.33Å; S636-L638 PolarHBondContact O-N 2.82Å
637G82.3Confident86.5Confident67 Ų6760.6 Ų60.669%0.69135%0.349SS*.THydrogen-bonded Turntrans-73.3-16.7175.800000115.4K635K635-G637 PolarHBondContact O-N 2.93Å; K635-G637 VanDerWaalsContact O-N 3.11Å
638L84.1Confident85.9Confident66 Ų6662 Ų6235%0.34635%0.351SS..THydrogen-bonded Turntrans-100.1-19.1-179.3-62.2-179.2000113.3K635 S636 N640 D641 L642K635-L638 HydrophobicContact CB-CB 4.45Å; K635-L638 HydrophobicContact CB-CD1 4.16Å; K635-L638 HydrophobicContact CB-CG 4.2Å; K635-L638 HydrophobicContact CD-CD1 4.03Å; K635-L638 PolarHBondContact O-N 2.64Å; S636-L638 VanDerWaalsContact C-N 3.33Å; S636-L638 PolarHBondContact O-N 2.82Å; L638-N640 PolarHBondContact O-N 2.96Å; L638-D641 PolarHBondContact O-N 3.16Å; L638-L642 HydrophobicContact CB-CD1 3.87Å; L638-L642 HydrophobicContact CB-CG 4.17Å; L638-L642 WeakPolarHBondContact O-CB 3.41Å; L638-L642 WeakPolarHBondContact O-CG 3.16Å; L638-L642 PolarHBondContact O-N 3.44Å
639L83.7Confident85.2Confident21 Ų2161.4 Ų61.411%0.1135%0.348CS..Hα-helixtrans-53.6-48.4-174.8-61.9-177.1000113Q325 L329 K635 D641 L643Q325-L639 HydrophobicContact CB-CB 4.48Å; L329-L639 HydrophobicContact CD2-CD2 3.34Å; K635-L639 PolarHBondContact O-N 3.49Å; L639-D641 VanDerWaalsContact C-N 3.31Å; L639-D641 PolarHBondContact O-N 2.88Å; L639-L643 WeakPolarHBondContact O-CB 3.03Å; L639-L643 WeakPolarHBondContact O-CG 3.31Å; L639-L643 PolarHBondContact O-N 3.18Å; L639-L643 VanDerWaalsContact O-N 3.13Å
640N83Confident84.6Confident110 Ų11062.9 Ų62.959%0.58836%0.361SS*.Hα-helixtrans-65.2-32.4179.8-73.8-52.8000113.2Q325 L638Q325-N640 PolarHBondContact NE2-OD1 3.3Å; Q325-N640 PolarHBondContact OE1-OD1 3.43Å; L638-N640 PolarHBondContact O-N 2.96Å
641D87.5Confident84.1Confident79 Ų7966.4 Ų66.442%0.42238%0.375SS..Hα-helixtrans-82.1-48.1-177.2-169.543000110.8K455 L638 L639 L643 T644K455-D641 WeakPolarHBondContact CD-O 3.12Å; K455-D641 IonicContact NZ-OD1 3.8Å; K455-D641 PolarHBondContact NZ-OD1 3.07Å; L638-D641 PolarHBondContact O-N 3.16Å; L639-D641 VanDerWaalsContact C-N 3.31Å; L639-D641 PolarHBondContact O-N 2.88Å; D641-L643 VanDerWaalsContact C-N 3.34Å; D641-L643 PolarHBondContact O-N 3.43Å; D641-T644 WeakPolarHBondContact O-CB 3.49Å; D641-T644 PolarHBondContact O-N 3.17Å; D641-T644 PolarHBondContact O-OG1 3.35Å
642L86.8Confident83.7Confident11 Ų1170.7 Ų70.76%0.05838%0.376CS..Hα-helixtrans-62.1-39.5179.3-65.2176.5000112.3L456 A459 L633 L638 T644L456-L642 HydrophobicContact CB-CB 4.23Å; L456-L642 WeakPolarHBondContact CB-O 3.27Å; L456-L642 HydrophobicContact CD1-CB 4.29Å; L456-L642 HydrophobicContact CD1-CD1 4.34Å; L456-L642 PolarHBondContact N-O 3.48Å; A459-L642 HydrophobicContact CB-CD2 3.64Å; L633-L642 HydrophobicContact CB-CD1 4.23Å; L633-L642 HydrophobicContact CD2-CD1 4.25Å; L638-L642 HydrophobicContact CB-CD1 3.87Å; L638-L642 HydrophobicContact CB-CG 4.17Å; L638-L642 WeakPolarHBondContact O-CB 3.41Å; L638-L642 WeakPolarHBondContact O-CG 3.16Å; L638-L642 PolarHBondContact O-N 3.44Å; L642-T644 PolarHBondContact O-N 3.44Å
643L86.1Confident83.3Confident14 Ų1469.4 Ų69.47%0.07337%0.368CS..THydrogen-bonded Turntrans-88.124179.2-59.1175.5000113.5V322 Q325 L329 L332 F453 L456 L639 D641 E645V322-L643 HydrophobicContact CG1-CD1 4.33Å; Q325-L643 HydrophobicContact CB-CD1 3.69Å; Q325-L643 HydrophobicContact CG-CD1 3.99Å; Q325-L643 VanDerWaalsContact O-CD1 3.31Å; Q325-L643 WeakPolarHBondContact O-CD1 3.46Å; L329-L643 HydrophobicContact CB-CD1 4.43Å; L332-L643 HydrophobicContact CD1-CD2 4.37Å; F453-L643 HydrophobicContact CD1-CB 4.21Å; F453-L643 HydrophobicContact CD1-CD2 4.22Å; F453-L643 WeakPolarHBondContact CD1-O 3.21Å; F453-L643 HydrophobicContact CD2-CD2 4.29Å; F453-L643 HydrophobicContact CE1-CB 4.13Å; F453-L643 HydrophobicContact CE1-CD2 4.27Å; F453-L643 WeakPolarHBondContact CE1-O 3.37Å; F453-L643 HydrophobicContact CE2-CD2 4.36Å; F453-L643 HydrophobicContact CG-CD2 4.22Å; F453-L643 HydrophobicContact CZ-CD2 4.34Å; L456-L643 HydrophobicContact CD2-CD2 3.95Å; L639-L643 WeakPolarHBondContact O-CB 3.03Å; L639-L643 WeakPolarHBondContact O-CG 3.31Å; L639-L643 PolarHBondContact O-N 3.18Å; L639-L643 VanDerWaalsContact O-N 3.13Å; D641-L643 VanDerWaalsContact C-N 3.34Å; D641-L643 PolarHBondContact O-N 3.43Å; L643-E645 PolarHBondContact O-N 2.97Å
644T84.4Confident83Confident58 Ų5875.5 Ų75.536%0.35639%0.394SS..PPolyproline II helixtrans-65.6120.8167.7-52.80000109.3K455 D641 L642K455-T644 PolarHBondContact NZ-OG1 3.45Å; D641-T644 WeakPolarHBondContact O-CB 3.49Å; D641-T644 PolarHBondContact O-N 3.17Å; D641-T644 PolarHBondContact O-OG1 3.35Å; L642-T644 PolarHBondContact O-N 3.44Å
645E80.7Confident82.8Confident47 Ų4775.5 Ų75.522%0.2240%0.398CS..PPolyproline II helixtrans-71.5145.2174-65.2-174.6172.900111.7R452 F453 L643 A650 R653R452-E645 HydrophobicContact CG-CG 4.15Å; R452-E645 IonicContact CZ-OE1 2.76Å; R452-E645 IonicContact NE-OE1 3.15Å; R452-E645 PolarHBondContact NE-OE1 3.11Å; R452-E645 IonicContact NH2-OE1 3.41Å; R452-E645 PolarHBondContact NH2-OE1 3.18Å; R452-E645 CarbonylContact O-C 3.6Å; R452-E645 VanDerWaalsContact O-CA 3.29Å; R452-E645 WeakPolarHBondContact O-CA 3.16Å; F453-E645 HydrophobicContact CD1-CG 4.27Å; F453-E645 HydrophobicContact CE1-CG 3.73Å; L643-E645 PolarHBondContact O-N 2.97Å; E645-A650 HydrophobicContact CB-CB 4.41Å; E645-R653 IonicContact OE1-CZ 3.11Å; E645-R653 IonicContact OE1-NH1 2.76Å; E645-R653 IonicContact OE1-NH2 2.74Å; E645-R653 PolarHBondContact OE1-NH2 2.63Å; E645-R653 IonicContact OE2-CZ 3.62Å; E645-R653 IonicContact OE2-NH2 3.34Å; E645-R653 PolarHBondContact OE2-NH2 3.17Å
646S82.7Confident82.6Confident32 Ų3271.5 Ų71.522%0.22438%0.381CS..PPolyproline II helixtrans-63.1131.9165.5170.60000110.8R452 D648 M649 A650R452-S646 PolarHBondContact O-N 3.03Å; S646-D648 VanDerWaalsContact C-N 3.32Å; S646-D648 PolarHBondContact O-N 3.17Å; S646-M649 PolarHBondContact O-N 2.96Å; S646-M649 VanDerWaalsContact O-N 3.13Å; S646-A650 WeakPolarHBondContact O-CB 3.44Å; S646-A650 PolarHBondContact O-N 3.07Å
647E80.2Confident83.2Confident171 Ų17168 Ų6880%0.79936%0.359SS*.Hα-helixtrans-56.9-42.5-179.5-65.3-173.6159.400112.3M649 A650 Q651E647-M649 VanDerWaalsContact C-N 3.34Å; E647-M649 PolarHBondContact O-N 3Å; E647-A650 PolarHBondContact O-N 2.81Å; E647-Q651 WeakPolarHBondContact O-CB 3.49Å; E647-Q651 PolarHBondContact O-N 2.91Å
648D80.1Confident83.4Confident110 Ų11068.4 Ų68.459%0.58835%0.345SS*.Hα-helixtrans-60.2-42.3176.8-71.1-27.3000112.3S646 R652S646-D648 VanDerWaalsContact C-N 3.32Å; S646-D648 PolarHBondContact O-N 3.17Å; D648-R652 WeakPolarHBondContact O-CB 3.45Å; D648-R652 VanDerWaalsContact O-CG 3.26Å; D648-R652 WeakPolarHBondContact O-CG 3.32Å; D648-R652 PolarHBondContact O-N 3.47Å
649M78.7Confident83.4Confident37 Ų3766.2 Ų66.218%0.18233%0.333CS..Hα-helixtrans-72.9-39.6179.4-70.7-68.7-74.800111.3Y318 S646 E647 R653Y318-M649 HydrophobicContact CD1-CE 3.84Å; Y318-M649 HydrophobicContact CE1-CE 4.33Å; S646-M649 PolarHBondContact O-N 2.96Å; S646-M649 VanDerWaalsContact O-N 3.13Å; E647-M649 VanDerWaalsContact C-N 3.34Å; E647-M649 PolarHBondContact O-N 3Å; M649-R653 VanDerWaalsContact O-CB 3.26Å; M649-R653 WeakPolarHBondContact O-CB 3.39Å; M649-R653 PolarHBondContact O-N 2.8Å
650A79.4Confident83.7Confident32 Ų3265.8 Ų65.826%0.26433%0.331SS..Hα-helixtrans-62.9-43.4175.200000111.3E645 S646 E647 K654E645-A650 HydrophobicContact CB-CB 4.41Å; S646-A650 WeakPolarHBondContact O-CB 3.44Å; S646-A650 PolarHBondContact O-N 3.07Å; E647-A650 PolarHBondContact O-N 2.81Å; A650-K654 WeakPolarHBondContact O-CB 3.48Å; A650-K654 PolarHBondContact O-N 3.05Å
651Q82.9Confident83.9Confident116 Ų11665 Ų6554%0.54232%0.324SS..Hα-helixtrans-65-51176179168.7-18.200111.8E647 R653 K654 E655E647-Q651 WeakPolarHBondContact O-CB 3.49Å; E647-Q651 PolarHBondContact O-N 2.91Å; Q651-R653 VanDerWaalsContact C-N 3.28Å; Q651-R653 PolarHBondContact O-N 3.46Å; Q651-K654 WeakPolarHBondContact O-CB 3.43Å; Q651-K654 PolarHBondContact O-N 3.44Å; Q651-E655 HydrophobicContact CG-CG 4.39Å; Q651-E655 VanDerWaalsContact CG-OE1 3.28Å; Q651-E655 WeakPolarHBondContact CG-OE1 3.34Å; Q651-E655 PolarHBondContact NE2-OE1 3.23Å; Q651-E655 WeakPolarHBondContact O-CG 3.42Å; Q651-E655 PolarHBondContact O-N 2.98Å
652R82.6Confident83.8Confident139 Ų13961.4 Ų61.453%0.52531%0.306SS..Hα-helixtrans-58.6-39.1177.6-74.5174-177-178.94.1112.8Y318 D648 A656Y318-R652 HydrophobicContact CE2-CB 4.23Å; D648-R652 WeakPolarHBondContact O-CB 3.45Å; D648-R652 VanDerWaalsContact O-CG 3.26Å; D648-R652 WeakPolarHBondContact O-CG 3.32Å; D648-R652 PolarHBondContact O-N 3.47Å; R652-A656 WeakPolarHBondContact O-CB 3.46Å; R652-A656 PolarHBondContact O-N 3.4Å
653R82.3Confident83.8Confident43 Ų4361 Ų6116%0.16230%0.303CS..Hα-helixtrans-67-40.2175.1-174.817964.5165.2-5.8111.7Y318 G319 R452 E645 M649 Q651 A656 A657Y318-R653 HydrophobicContact CD2-CB 3.98Å; Y318-R653 HydrophobicContact CD2-CG 4.34Å; G319-R653 PolarHBondContact O-NH1 3Å; R452-R653 VanDerWaalsContact NH2-NH1 3.12Å; E645-R653 IonicContact OE1-CZ 3.11Å; E645-R653 IonicContact OE1-NH1 2.76Å; E645-R653 IonicContact OE1-NH2 2.74Å; E645-R653 PolarHBondContact OE1-NH2 2.63Å; E645-R653 IonicContact OE2-CZ 3.62Å; E645-R653 IonicContact OE2-NH2 3.34Å; E645-R653 PolarHBondContact OE2-NH2 3.17Å; M649-R653 VanDerWaalsContact O-CB 3.26Å; M649-R653 WeakPolarHBondContact O-CB 3.39Å; M649-R653 PolarHBondContact O-N 2.8Å; Q651-R653 VanDerWaalsContact C-N 3.28Å; Q651-R653 PolarHBondContact O-N 3.46Å; R653-A656 PolarHBondContact O-N 3.06Å; R653-A657 VanDerWaalsContact O-CB 3.31Å; R653-A657 WeakPolarHBondContact O-CB 3.5Å; R653-A657 PolarHBondContact O-N 2.99Å
654K83.9Confident83.9Confident135 Ų13565 Ų6559%0.58732%0.322SS*.Hα-helixtrans-62.3-48.5175.3-175.9-175.6173.9-170.60111.3A650 Q651 A656 A657 D658A650-K654 WeakPolarHBondContact O-CB 3.48Å; A650-K654 PolarHBondContact O-N 3.05Å; Q651-K654 WeakPolarHBondContact O-CB 3.43Å; Q651-K654 PolarHBondContact O-N 3.44Å; K654-A656 VanDerWaalsContact C-N 3.33Å; K654-A656 PolarHBondContact O-N 3.06Å; K654-A657 PolarHBondContact O-N 3.04Å; K654-A657 VanDerWaalsContact O-N 3.11Å; K654-D658 WeakPolarHBondContact O-CB 3.43Å; K654-D658 PolarHBondContact O-N 3.34Å
655E84.6Confident84Confident101 Ų10168 Ų6847%0.47233%0.327SS..Hα-helixtrans-58.1-43.6176-70.2168.3-176.700111.7Q651 M659Q651-E655 HydrophobicContact CG-CG 4.39Å; Q651-E655 VanDerWaalsContact CG-OE1 3.28Å; Q651-E655 WeakPolarHBondContact CG-OE1 3.34Å; Q651-E655 PolarHBondContact NE2-OE1 3.23Å; Q651-E655 WeakPolarHBondContact O-CG 3.42Å; Q651-E655 PolarHBondContact O-N 2.98Å; E655-M659 VanDerWaalsContact O-CB 3.29Å; E655-M659 WeakPolarHBondContact O-CB 3.29Å; E655-M659 PolarHBondContact O-N 3.28Å
656A85.4Confident84.2Confident4 Ų465.8 Ų65.83%0.03332%0.316CS..Hα-helixtrans-64.8-37.2174.800000113.1Y311 L314 Y318 R652 R653 K654 L660Y311-A656 HydrophobicContact CD1-CB 4.09Å; L314-A656 HydrophobicContact CD2-CB 4.31Å; Y318-A656 HydrophobicContact CE2-CB 4.45Å; R652-A656 WeakPolarHBondContact O-CB 3.46Å; R652-A656 PolarHBondContact O-N 3.4Å; R653-A656 PolarHBondContact O-N 3.06Å; K654-A656 VanDerWaalsContact C-N 3.33Å; K654-A656 PolarHBondContact O-N 3.06Å; A656-L660 VanDerWaalsContact O-CB 3.26Å; A656-L660 WeakPolarHBondContact O-CB 3.45Å; A656-L660 PolarHBondContact O-N 3.04Å
657A86.2Confident84.3Confident36 Ų3665.8 Ų65.830%0.29832%0.316SS..Hα-helixtrans-71.2-44177.500000112.4L315 R653 K654 M659 L660 Q661L315-A657 HydrophobicContact CD1-CB 3.79Å; R653-A657 VanDerWaalsContact O-CB 3.31Å; R653-A657 WeakPolarHBondContact O-CB 3.5Å; R653-A657 PolarHBondContact O-N 2.99Å; K654-A657 PolarHBondContact O-N 3.04Å; K654-A657 VanDerWaalsContact O-N 3.11Å; A657-M659 VanDerWaalsContact C-N 3.34Å; A657-M659 PolarHBondContact O-N 3.36Å; A657-L660 PolarHBondContact O-N 3.22Å; A657-Q661 WeakPolarHBondContact O-CB 3.26Å; A657-Q661 PolarHBondContact O-N 3.38Å
658D85.9Confident84.6Confident74 Ų7463.7 Ų63.740%0.39631%0.306SS..Hα-helixtrans-62.1-42.9176.1-70.4-21.8000110.1K654 Q661 A662K654-D658 WeakPolarHBondContact O-CB 3.43Å; K654-D658 PolarHBondContact O-N 3.34Å; D658-Q661 PolarHBondContact O-N 3.27Å; D658-A662 WeakPolarHBondContact O-CB 3.49Å; D658-A662 PolarHBondContact O-N 3.02Å
659M85.5Confident84.8Confident21 Ų2159.3 Ų59.310%0.10328%0.284CS..Hα-helixtrans-63.9-45173.9-16963.865.300112.7V18 A20 I22 Y311 E655 A657 Q661 A662 L663V18-M659 HydrophobicContact CB-CE 4.24Å; V18-M659 HydrophobicContact CG1-CE 3.78Å; V18-M659 HydrophobicContact CG1-SD 4.21Å; A20-M659 HydrophobicContact CB-CE 3.88Å; A20-M659 HydrophobicContact CB-SD 3.98Å; I22-M659 HydrophobicContact CD1-CE 4.28Å; Y311-M659 HydrophobicContact CD1-CB 4.31Å; Y311-M659 HydrophobicContact CD1-CG 4.3Å; Y311-M659 HydrophobicContact CD2-CG 3.9Å; Y311-M659 HydrophobicContact CE1-CB 4.19Å; Y311-M659 HydrophobicContact CE1-CG 4Å; Y311-M659 HydrophobicContact CE2-CG 3.57Å; Y311-M659 HydrophobicContact CG-CG 4.27Å; E655-M659 VanDerWaalsContact O-CB 3.29Å; E655-M659 WeakPolarHBondContact O-CB 3.29Å; E655-M659 PolarHBondContact O-N 3.28Å; A657-M659 VanDerWaalsContact C-N 3.34Å; A657-M659 PolarHBondContact O-N 3.36Å; M659-Q661 VanDerWaalsContact C-N 3.35Å; M659-Q661 PolarHBondContact O-N 3.17Å; M659-A662 PolarHBondContact O-N 3.4Å; M659-L663 HydrophobicContact CG-CD1 4.08Å; M659-L663 WeakPolarHBondContact O-CB 3.43Å; M659-L663 VanDerWaalsContact O-CG 3.28Å; M659-L663 WeakPolarHBondContact O-CG 3.48Å; M659-L663 PolarHBondContact O-N 3.21Å
660L88.4Confident84.9Confident12 Ų1258 Ų586%0.06328%0.277CS..Hα-helixtrans-60.9-43.5176.518063.8000111.4A308 Q312 L315 A656 A657 A662 L663 Q664A308-L660 HydrophobicContact CB-CD1 4.31Å; A308-L660 WeakPolarHBondContact O-CD1 3.5Å; Q312-L660 HydrophobicContact CB-CD1 4.27Å; Q312-L660 HydrophobicContact CB-CD2 4.48Å; L315-L660 HydrophobicContact CD1-CD2 3.97Å; A656-L660 VanDerWaalsContact O-CB 3.26Å; A656-L660 WeakPolarHBondContact O-CB 3.45Å; A656-L660 PolarHBondContact O-N 3.04Å; A657-L660 PolarHBondContact O-N 3.22Å; L660-A662 VanDerWaalsContact C-N 3.34Å; L660-A662 PolarHBondContact O-N 3.03Å; L660-L663 PolarHBondContact O-N 3.08Å; L660-Q664 WeakPolarHBondContact O-CB 3.47Å; L660-Q664 VanDerWaalsContact O-CG 3.29Å; L660-Q664 WeakPolarHBondContact O-CG 3.49Å; L660-Q664 PolarHBondContact O-N 2.84Å
661Q87.8Confident84.9Confident92 Ų9258.6 Ų58.643%0.4328%0.282SS..Hα-helixtrans-63.4-40.3177.6-166.4-17550.100111.6A657 D658 M659 Q664 R665A657-Q661 WeakPolarHBondContact O-CB 3.26Å; A657-Q661 PolarHBondContact O-N 3.38Å; D658-Q661 PolarHBondContact O-N 3.27Å; M659-Q661 VanDerWaalsContact C-N 3.35Å; M659-Q661 PolarHBondContact O-N 3.17Å; Q661-Q664 PolarHBondContact O-N 3.09Å; Q661-R665 WeakPolarHBondContact O-CG 3.43Å; Q661-R665 PolarHBondContact O-N 3.24Å
662A84.8Confident84.5Confident5 Ų557 Ų574%0.04128%0.275CS..Hα-helixtrans-66.3-41.4175.400000112.6V14 V18 D658 M659 L660 Q664 R665 A666V14-A662 HydrophobicContact CG1-CB 4.03Å; V18-A662 HydrophobicContact CG2-CB 3.36Å; D658-A662 WeakPolarHBondContact O-CB 3.49Å; D658-A662 PolarHBondContact O-N 3.02Å; M659-A662 PolarHBondContact O-N 3.4Å; L660-A662 VanDerWaalsContact C-N 3.34Å; L660-A662 PolarHBondContact O-N 3.03Å; A662-Q664 VanDerWaalsContact C-N 3.34Å; A662-Q664 PolarHBondContact O-N 2.9Å; A662-R665 PolarHBondContact O-N 3.07Å; A662-A666 WeakPolarHBondContact O-CB 3.43Å; A662-A666 PolarHBondContact O-N 3.37Å
663L87.1Confident83.7Confident1 Ų151 Ų511%0.00525%0.253CS..Hα-helixtrans-63.4-38.3174.6-70.8166000112.1F15 I23 I304 L307 A308 Y311 M659 L660 A666 S667F15-L663 HydrophobicContact CE1-CD2 4.08Å; I23-L663 HydrophobicContact CD1-CD2 3.58Å; I304-L663 HydrophobicContact CG1-CD2 4.37Å; I304-L663 HydrophobicContact CG2-CD2 4.17Å; L307-L663 HydrophobicContact CB-CD1 3.93Å; L307-L663 HydrophobicContact CB-CD2 4.17Å; A308-L663 HydrophobicContact CB-CB 4.2Å; Y311-L663 HydrophobicContact CD2-CD1 3.62Å; Y311-L663 HydrophobicContact CE2-CD1 4.22Å; Y311-L663 HydrophobicContact CG-CD1 4.46Å; M659-L663 HydrophobicContact CG-CD1 4.08Å; M659-L663 WeakPolarHBondContact O-CB 3.43Å; M659-L663 VanDerWaalsContact O-CG 3.28Å; M659-L663 WeakPolarHBondContact O-CG 3.48Å; M659-L663 PolarHBondContact O-N 3.21Å; L660-L663 PolarHBondContact O-N 3.08Å; L663-A666 PolarHBondContact O-N 2.88Å; L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 3.4Å
664Q88.1Confident82.6Confident100 Ų10058.1 Ų58.147%0.46728%0.279SS..Hα-helixtrans-63.7-47.4173.1-73.5171.7-2.800111.6L660 Q661 A662 A666 S667 Q668L660-Q664 WeakPolarHBondContact O-CB 3.47Å; L660-Q664 VanDerWaalsContact O-CG 3.29Å; L660-Q664 WeakPolarHBondContact O-CG 3.49Å; L660-Q664 PolarHBondContact O-N 2.84Å; Q661-Q664 PolarHBondContact O-N 3.09Å; A662-Q664 VanDerWaalsContact C-N 3.34Å; A662-Q664 PolarHBondContact O-N 2.9Å; Q664-A666 VanDerWaalsContact C-N 3.34Å; Q664-A666 PolarHBondContact O-N 3.33Å; Q664-S667 PolarHBondContact O-N 3.22Å; Q664-Q668 PolarHBondContact O-N 3.47Å
665R85.9Confident81Confident121 Ų12158.7 Ų58.746%0.45728%0.284SS..Hα-helixtrans-59.2-43.3174-71.3176.3-171.2169.48.6111.7V14 Q661 A662 S667 Q668 V669V14-R665 HydrophobicContact CG1-CB 4.45Å; Q661-R665 WeakPolarHBondContact O-CG 3.43Å; Q661-R665 PolarHBondContact O-N 3.24Å; A662-R665 PolarHBondContact O-N 3.07Å; R665-S667 PolarHBondContact O-N 3.18Å; R665-Q668 PolarHBondContact O-N 3.24Å; R665-V669 WeakPolarHBondContact O-CB 3.38Å; R665-V669 WeakPolarHBondContact O-CG2 3.43Å; R665-V669 PolarHBondContact O-N 3.1Å
666A84.8Confident79.2Confident0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-62.9-40.7176.600000112.3L11 F15 I304 A662 L663 Q664 V669 I670L11-A666 HydrophobicContact CD2-CB 3.68Å; F15-A666 HydrophobicContact CE1-CB 4.12Å; F15-A666 HydrophobicContact CE2-CB 4Å; F15-A666 HydrophobicContact CZ-CB 3.39Å; I304-A666 HydrophobicContact CD1-CB 4.24Å; A662-A666 WeakPolarHBondContact O-CB 3.43Å; A662-A666 PolarHBondContact O-N 3.37Å; L663-A666 PolarHBondContact O-N 2.88Å; Q664-A666 VanDerWaalsContact C-N 3.34Å; Q664-A666 PolarHBondContact O-N 3.33Å; A666-V669 PolarHBondContact O-N 2.91Å; A666-I670 WeakPolarHBondContact O-CG1 3.47Å; A666-I670 PolarHBondContact O-N 3.47Å
667S86.7Confident77.4Confident32 Ų3261.7 Ų61.722%0.22430%0.303CS..Hα-helixtrans-63.3-40.7174.6-168.70000112.2L663 Q664 R665 I670 A671L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 3.4Å; Q664-S667 PolarHBondContact O-N 3.22Å; R665-S667 PolarHBondContact O-N 3.18Å; S667-I670 PolarHBondContact O-N 3.41Å; S667-A671 PolarHBondContact O-N 3.12Å
668Q86.3Confident74.9Confident127 Ų12766.9 Ų66.959%0.59333%0.325SS*.Hα-helixtrans-63.7-47.2174.4-175.1174.33.300111.8Q664 R665 I670 A671 E672Q664-Q668 PolarHBondContact O-N 3.47Å; R665-Q668 PolarHBondContact O-N 3.24Å; Q668-I670 PolarHBondContact O-N 3.13Å; Q668-A671 WeakPolarHBondContact O-CA 3.41Å; Q668-A671 WeakPolarHBondContact O-CB 3.4Å; Q668-A671 PolarHBondContact O-N 3.32Å; Q668-E672 PolarHBondContact O-N 2.97Å; Q668-E672 VanDerWaalsContact O-N 3.12Å
669V83.4Confident72.3Confident18 Ų1877.8 Ų77.811%0.10936%0.361CS..Hα-helixtrans-58.8-34.9175.1167.20000111.9V7 K10 L11 R665 A666V7-V669 HydrophobicContact CG1-CG1 3.57Å; K10-V669 HydrophobicContact CB-CG1 4.14Å; K10-V669 HydrophobicContact CD-CG1 4.41Å; L11-V669 HydrophobicContact CD2-CB 3.99Å; L11-V669 HydrophobicContact CD2-CG1 3.69Å; L11-V669 HydrophobicContact CG-CG1 3.86Å; R665-V669 WeakPolarHBondContact O-CB 3.38Å; R665-V669 WeakPolarHBondContact O-CG2 3.43Å; R665-V669 PolarHBondContact O-N 3.1Å; A666-V669 PolarHBondContact O-N 2.91Å
670I81.1Confident71.7Confident10 Ų1080.6 Ų80.65%0.05137%0.374CS..Hα-helixtrans-75.5-26.8173.4-69.2168.3000112.4L11 L297 L300 K301 I304 A666 S667 Q668 I673L11-I670 HydrophobicContact CD1-CD1 4.08Å; L11-I670 HydrophobicContact CD1-CG1 3.84Å; L11-I670 HydrophobicContact CD2-CD1 4.44Å; L11-I670 HydrophobicContact CD2-CG1 4.25Å; L297-I670 HydrophobicContact CD2-CG1 4.41Å; L300-I670 HydrophobicContact CD2-CD1 4.45Å; L300-I670 HydrophobicContact CG-CD1 4.37Å; K301-I670 HydrophobicContact CB-CG2 4.15Å; K301-I670 HydrophobicContact CD-CG2 3.9Å; K301-I670 HydrophobicContact CG-CG2 4.13Å; I304-I670 HydrophobicContact CD1-CD1 3.44Å; I304-I670 VanDerWaalsContact CD1-CD1 3.44Å; A666-I670 WeakPolarHBondContact O-CG1 3.47Å; A666-I670 PolarHBondContact O-N 3.47Å; S667-I670 PolarHBondContact O-N 3.41Å; Q668-I670 PolarHBondContact O-N 3.13Å; I670-I673 HydrophobicContact CB-CD1 4.43Å; I670-I673 HydrophobicContact CG1-CD1 4.35Å; I670-I673 WeakPolarHBondContact O-CB 3.27Å
671A79.6Confident70.8Confident44 Ų4484.2 Ų84.236%0.36439%0.39SS..Hα-helixtrans-68.6-43.2175.800000111.6S667 Q668 I673 R674S667-A671 PolarHBondContact O-N 3.12Å; Q668-A671 WeakPolarHBondContact O-CA 3.41Å; Q668-A671 WeakPolarHBondContact O-CB 3.4Å; Q668-A671 PolarHBondContact O-N 3.32Å; A671-I673 PolarHBondContact O-N 3.08Å; A671-R674 WeakPolarHBondContact O-CB 3.39Å; A671-R674 PolarHBondContact O-N 3.49Å
672E74.4Confident69.9Low83 Ų8383.8 Ų83.839%0.38839%0.388SS..Hα-helixtrans-51.6-38.5175.1-68.6172.1-165.300112.2K10 Q668 R674 E675K10-E672 IonicContact NZ-OE2 2.9Å; Q668-E672 PolarHBondContact O-N 2.97Å; Q668-E672 VanDerWaalsContact O-N 3.12Å; E672-R674 VanDerWaalsContact C-N 3.27Å; E672-R674 PolarHBondContact O-N 3.2Å; E672-E675 PolarHBondContact O-N 2.78Å
673I66.1Low69Low13 Ų1388.4 Ų88.47%0.06741%0.408CS..Hα-helixtrans-55.8-41.1177-56.6172.8000111.8L4 V7 L297 I670 A671 E675 T676 H677L4-I673 HydrophobicContact CD2-CG2 3.77Å; V7-I673 HydrophobicContact CB-CD1 4.34Å; V7-I673 HydrophobicContact CB-CG1 4.23Å; V7-I673 HydrophobicContact CG1-CD1 3.47Å; V7-I673 VanDerWaalsContact CG1-CD1 3.47Å; V7-I673 HydrophobicContact CG1-CG1 3.59Å; V7-I673 HydrophobicContact CG2-CG1 4.2Å; L297-I673 HydrophobicContact CD1-CD1 3.91Å; L297-I673 HydrophobicContact CD1-CG2 4.33Å; L297-I673 HydrophobicContact CD2-CD1 3.72Å; I670-I673 HydrophobicContact CB-CD1 4.43Å; I670-I673 HydrophobicContact CG1-CD1 4.35Å; I670-I673 WeakPolarHBondContact O-CB 3.27Å; A671-I673 PolarHBondContact O-N 3.08Å; I673-E675 VanDerWaalsContact C-N 3.31Å; I673-E675 PolarHBondContact O-N 3.31Å; I673-T676 PolarHBondContact O-N 3.34Å; I673-T676 PolarHBondContact O-OG1 3.21Å; I673-H677 PolarHBondContact O-CD2 3.15Å; I673-H677 PolarHBondContact O-N 3.29Å
674R58.2Low67.8Low191 Ų19193.9 Ų93.972%0.72143%0.433SS*.Hα-helixtrans-70.8-28.9-169.1-148.2-176.4-160.8-162.14.6112.5A671 E672A671-R674 WeakPolarHBondContact O-CB 3.39Å; A671-R674 PolarHBondContact O-N 3.49Å; E672-R674 VanDerWaalsContact C-N 3.27Å; E672-R674 PolarHBondContact O-N 3.2Å
675E50.9Low66.5Low148 Ų14893.5 Ų93.569%0.69243%0.431SS*.Hα-helixtrans-73.8-38174.9-62.7-177.1169.200110.8E672 I673 H677 L678E672-E675 PolarHBondContact O-N 2.78Å; I673-E675 VanDerWaalsContact C-N 3.31Å; I673-E675 PolarHBondContact O-N 3.31Å; E675-H677 PolarHBondContact O-N 2.93Å; E675-L678 PolarHBondContact O-N 3.5Å
676T47Very low65.1Low79 Ų7991.5 Ų91.549%0.48543%0.429SS..THydrogen-bonded Turntrans-72.1-3.7176.464.80000115.5I673I673-T676 PolarHBondContact O-N 3.34Å; I673-T676 PolarHBondContact O-OG1 3.21Å
677H47.1Very low63.6Low88 Ų8898.5 Ų98.541%0.40746%0.462SS..THydrogen-bonded Turntrans-110.710.2175.3-77.9-59.7000114L4 I673 E675L4-H677 WeakPolarHBondContact CD2-NE2 3.32Å; I673-H677 PolarHBondContact O-CD2 3.15Å; I673-H677 PolarHBondContact O-N 3.29Å; E675-H677 PolarHBondContact O-N 2.93Å
678L33.5Very low61.7Low146 Ų146104.1 Ų104.176%0.76448%0.482SS*.  trans-85.88.2168.2-92.2157.3000113.2E675E675-L678 PolarHBondContact O-N 3.5Å
679W32.5Very low59.4Low302 Ų302102 Ų102100%1.14447%0.472SS*.  trans-135.20177.7-72.370.8000110.5

Retrieved 679 of 679 residues in 1226.4 ms (Link to these results)

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