A0A096NVI0_PAPAN Loading...

Ankyrin repeat and EF-hand domain containing 1

AlphaFold DB , UniProt , Accession A0A096NVI0, Species PAPAN (Papio anubis, Olive baboon), Gene ANKEF1, Length 776 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
1M42.6Very low66.6Low202 Ų202111.5 Ų111.5100%0.99557%0.572SS**  0-51.10-70.2-178.9-168.900111.6L3 V4 D5M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.09Å; M1-L3 VanDerWaalsContact O-N 3.09Å; M1-V4 PolarHBondContact O-N 3.26Å; M1-D5 PolarHBondContact O-N 2.96Å
2A49.6Very low68.1Low76 Ų76105.7 Ų105.763%0.62854%0.54SS*.Hα-helixtrans-53.8-30.718000000117.4K6A2-K6 PolarHBondContact O-N 3.28Å
3L50.9Low69.5Low155 Ų15597.9 Ų97.981%0.81250%0.501SS*.Hα-helixtrans-75.3-28176.2-87151.9000113.6M1 R7M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.09Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-R7 PolarHBondContact O-N 3.27Å
4V52Low70.8Confident104 Ų10496.9 Ų96.963%0.6349%0.488SS*.Hα-helixtrans-80.9-39.6-179.4-179.60000109.9M1 R7 L8M1-V4 PolarHBondContact O-N 3.26Å; V4-R7 WeakPolarHBondContact O-CB 3.29Å; V4-R7 PolarHBondContact O-N 3.43Å; V4-R7 VanDerWaalsContact O-N 3.16Å; V4-L8 PolarHBondContact O-N 3.38Å; V4-L8 VanDerWaalsContact O-N 3.12Å
5D60.8Low71.9Confident91 Ų9196.3 Ų96.349%0.48748%0.481SS..Hα-helixtrans-62.6-44.9175.6-67.4-36.5000111.7M1 R7 L8 E9M1-D5 PolarHBondContact O-N 2.96Å; D5-R7 PolarHBondContact O-N 3.24Å; D5-L8 PolarHBondContact O-N 3.36Å; D5-E9 WeakPolarHBondContact O-CB 3.42Å; D5-E9 PolarHBondContact O-N 3.33Å
6K71.8Confident73Confident134 Ų13490.6 Ų90.658%0.58345%0.453SS*.Hα-helixtrans-58.9-33.5173.6-83.2-173.9173.4-174.30113.3A2 N10A2-K6 PolarHBondContact O-N 3.28Å; K6-N10 WeakPolarHBondContact O-CB 3.46Å; K6-N10 PolarHBondContact O-N 3.45Å; K6-N10 PolarHBondContact O-ND2 3.12Å; K6-N10 PolarHBondContact O-OD1 2.7Å
7R77.6Confident74Confident183 Ų18386 Ų8669%0.69143%0.43SS*.Hα-helixtrans-71.1-42.6178.4-173.8178.3175.9-172.6-1.1111.2L3 V4 D5 L11L3-R7 PolarHBondContact O-N 3.27Å; V4-R7 WeakPolarHBondContact O-CB 3.29Å; V4-R7 PolarHBondContact O-N 3.43Å; V4-R7 VanDerWaalsContact O-N 3.16Å; D5-R7 PolarHBondContact O-N 3.24Å; R7-L11 HydrophobicContact CG-CD1 4.37Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 2.77Å; R7-L11 VanDerWaalsContact O-N 3.08Å
8L79.2Confident74.9Confident97 Ų9786.4 Ų86.451%0.50843%0.43SS..Hα-helixtrans-65.8-43.9177.3-178.263.3000111.2V4 D5 L11 Q12V4-L8 PolarHBondContact O-N 3.38Å; V4-L8 VanDerWaalsContact O-N 3.12Å; D5-L8 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.15Å; L8-Q12 WeakPolarHBondContact O-CG 3.31Å; L8-Q12 PolarHBondContact O-N 3.48Å
9E79.8Confident75.7Confident29 Ų2982.1 Ų82.114%0.13641%0.41CS..Hα-helixtrans-54.1-54.4173.8-176-170.1161.900111D5 L11 Q12 I13 Y36 Y42D5-E9 WeakPolarHBondContact O-CB 3.42Å; D5-E9 PolarHBondContact O-N 3.33Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.3Å; E9-Q12 PolarHBondContact O-N 2.91Å; E9-I13 HydrophobicContact CG-CD1 4.08Å; E9-I13 WeakPolarHBondContact O-CG1 3.49Å; E9-I13 PolarHBondContact O-N 3.04Å; E9-Y36 HydrophobicContact CG-CD1 4.43Å; E9-Y36 HydrophobicContact CG-CE1 4.49Å; E9-Y42 WeakPolarHBondContact OE1-CD1 3.38Å; E9-Y42 VanDerWaalsContact OE1-CE1 3.29Å; E9-Y42 WeakPolarHBondContact OE1-CE1 3.48Å
10N84.4Confident76.5Confident54 Ų5478.4 Ų78.429%0.28939%0.391SS..Hα-helixtrans-57.6-42.5178.1-70.3-15.6000112.6K6 Q12 I13 Y14 P45K6-N10 WeakPolarHBondContact O-CB 3.46Å; K6-N10 PolarHBondContact O-N 3.45Å; K6-N10 PolarHBondContact O-ND2 3.12Å; K6-N10 PolarHBondContact O-OD1 2.7Å; N10-Q12 VanDerWaalsContact C-N 3.33Å; N10-Q12 PolarHBondContact O-N 3.48Å; N10-I13 PolarHBondContact O-N 2.82Å; N10-Y14 HydrophobicContact CB-CE2 4.44Å; N10-Y14 WeakPolarHBondContact O-CD2 3.36Å; N10-Y14 PolarHBondContact O-N 3.16Å; N10-P45 HydrophobicContact CB-CG 4.31Å; N10-P45 VanDerWaalsContact OD1-CG 3.29Å; N10-P45 WeakPolarHBondContact OD1-CG 3.49Å
11L84.3Confident77.1Confident102 Ų10283 Ų8353%0.53440%0.404SS..Hα-helixtrans-64.1-38.4177.4-73.1171.3000112.1R7 L8 E9 K15R7-L11 HydrophobicContact CG-CD1 4.37Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 2.77Å; R7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.15Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.3Å; L11-K15 WeakPolarHBondContact O-CB 3.06Å; L11-K15 PolarHBondContact O-N 3.08Å
12Q83.9Confident79.5Confident41 Ų4178.8 Ų78.819%0.19239%0.386CS..Hα-helixtrans-69-39.6176-72.1-172.90.800111.7L8 E9 N10 K15 V16 L39L8-Q12 WeakPolarHBondContact O-CG 3.31Å; L8-Q12 PolarHBondContact O-N 3.48Å; E9-Q12 PolarHBondContact O-N 2.91Å; N10-Q12 VanDerWaalsContact C-N 3.33Å; N10-Q12 PolarHBondContact O-N 3.48Å; Q12-K15 WeakPolarHBondContact O-CB 3.22Å; Q12-K15 PolarHBondContact O-N 2.65Å; Q12-K15 VanDerWaalsContact O-N 3.17Å; Q12-V16 WeakPolarHBondContact O-CG2 3.25Å; Q12-V16 PolarHBondContact O-N 3.25Å; Q12-L39 HydrophobicContact CB-CD1 3.98Å; Q12-L39 HydrophobicContact CB-CD2 3.9Å
13I86.2Confident81.5Confident5 Ų581.2 Ų81.23%0.02638%0.382CS..Hα-helixtrans-58.6-52.9173.6-65.8163.9000109.7E9 N10 K15 V16 L17 L39 Y42E9-I13 HydrophobicContact CG-CD1 4.08Å; E9-I13 WeakPolarHBondContact O-CG1 3.49Å; E9-I13 PolarHBondContact O-N 3.04Å; N10-I13 PolarHBondContact O-N 2.82Å; I13-K15 PolarHBondContact O-N 3.18Å; I13-V16 PolarHBondContact O-N 2.92Å; I13-V16 VanDerWaalsContact O-N 3.11Å; I13-L17 HydrophobicContact CG2-CD1 4Å; I13-L17 HydrophobicContact CG2-CG 4.38Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.36Å; I13-L39 HydrophobicContact CG1-CD1 3.63Å; I13-Y42 HydrophobicContact CD1-CG 4.27Å
14Y88.5Confident83.4Confident84 Ų8477 Ų7733%0.32936%0.36SS..Hα-helixtrans-57.9-35.9177-72.9-56.2000112.6N10 L17 Q18 D44N10-Y14 HydrophobicContact CB-CE2 4.44Å; N10-Y14 WeakPolarHBondContact O-CD2 3.36Å; N10-Y14 PolarHBondContact O-N 3.16Å; Y14-L17 PolarHBondContact O-N 3.34Å; Y14-Q18 WeakPolarHBondContact O-CB 3.5Å; Y14-Q18 PolarHBondContact O-N 3.02Å; Y14-D44 HydrophobicContact CE1-CB 4.47Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.39Å; Y14-D44 PolarHBondContact OH-OD1 2.85Å
15K86.8Confident85.3Confident88 Ų8875.7 Ų75.738%0.38335%0.346SS..Hα-helixtrans-67.2-43.3177.3-169.263.4-177.1174.20112.1L11 Q12 I13 Q18 C19 L31L11-K15 WeakPolarHBondContact O-CB 3.06Å; L11-K15 PolarHBondContact O-N 3.08Å; Q12-K15 WeakPolarHBondContact O-CB 3.22Å; Q12-K15 PolarHBondContact O-N 2.65Å; Q12-K15 VanDerWaalsContact O-N 3.17Å; I13-K15 PolarHBondContact O-N 3.18Å; K15-Q18 PolarHBondContact O-N 3.08Å; K15-C19 PolarHBondContact O-N 2.91Å; K15-C19 PolarHBondContact O-SG 2.84Å; K15-L31 HydrophobicContact CB-CD1 4.49Å; K15-L31 HydrophobicContact CG-CD1 3.98Å
16V89.3Confident86.7Confident4 Ų479.9 Ų79.92%0.02436%0.36CS..Hα-helixtrans-60.6-47.8174.8171.50000110.4Q12 I13 Q18 C19 V20 L31 L39 A51Q12-V16 WeakPolarHBondContact O-CG2 3.25Å; Q12-V16 PolarHBondContact O-N 3.25Å; I13-V16 PolarHBondContact O-N 2.92Å; I13-V16 VanDerWaalsContact O-N 3.11Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.42Å; V16-C19 WeakPolarHBondContact O-CB 3.44Å; V16-C19 PolarHBondContact O-N 3.44Å; V16-C19 VanDerWaalsContact O-N 3.07Å; V16-V20 HydrophobicContact CG1-CG2 4.46Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.24Å; V16-L31 HydrophobicContact CG2-CB 4.14Å; V16-L31 HydrophobicContact CG2-CD1 3.84Å; V16-L39 HydrophobicContact CG2-CD2 3.52Å; V16-L39 HydrophobicContact CG2-CG 3.99Å; V16-A51 HydrophobicContact CG1-CB 4.31Å
17L90.4Very high87.5Confident13 Ų1376.6 Ų76.67%0.06835%0.347CS..Hα-helixtrans-60-39.1177.9-62.9175.4000112.1I13 Y14 V20 R21 D44 A51 L54I13-L17 HydrophobicContact CG2-CD1 4Å; I13-L17 HydrophobicContact CG2-CG 4.38Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.36Å; Y14-L17 PolarHBondContact O-N 3.34Å; L17-V20 PolarHBondContact O-N 3.05Å; L17-R21 WeakPolarHBondContact O-CG 3.36Å; L17-R21 PolarHBondContact O-N 3.39Å; L17-R21 VanDerWaalsContact O-N 3.11Å; L17-D44 HydrophobicContact CD1-CB 3.9Å; L17-A51 HydrophobicContact CD2-CB 4.49Å; L17-L54 HydrophobicContact CB-CD1 3.78Å; L17-L54 HydrophobicContact CD2-CD1 3.57Å; L17-L54 HydrophobicContact CD2-CG 4.35Å; L17-L54 HydrophobicContact CG-CD1 4.17Å
18Q90.2Very high88Confident93 Ų9367.9 Ų67.944%0.43531%0.314SS..Hα-helixtrans-64.4-43.1173.6-170.7-174.930.700111.8Y14 K15 V16 V20 R21 N22Y14-Q18 WeakPolarHBondContact O-CB 3.5Å; Y14-Q18 PolarHBondContact O-N 3.02Å; K15-Q18 PolarHBondContact O-N 3.08Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.42Å; Q18-V20 VanDerWaalsContact C-N 3.33Å; Q18-V20 PolarHBondContact O-N 3.34Å; Q18-R21 PolarHBondContact O-N 3.26Å; Q18-N22 WeakPolarHBondContact O-CB 3.28Å; Q18-N22 PolarHBondContact O-N 3.32Å
19C90.4Very high88.5Confident5 Ų566.8 Ų66.83%0.03431%0.306CS..Hα-helixtrans-64.2-37.4177.3-710000112.2K15 V16 N22 K23 D24 Q27 I28K15-C19 PolarHBondContact O-N 2.91Å; K15-C19 PolarHBondContact O-SG 2.84Å; V16-C19 WeakPolarHBondContact O-CB 3.44Å; V16-C19 PolarHBondContact O-N 3.44Å; V16-C19 VanDerWaalsContact O-N 3.07Å; C19-N22 CarbonylContact O-C 3.6Å; C19-N22 PolarHBondContact O-N 3.11Å; C19-K23 PolarHBondContact O-N 3.11Å; C19-D24 PolarHBondContact O-N 3.47Å; C19-Q27 VanDerWaalsContact SG-CG 3.54Å; C19-I28 HydrophobicContact CB-CD1 4.27Å; C19-I28 HydrophobicContact CB-CG1 3.68Å
20V91.3Very high88.8Confident7 Ų771.1 Ų71.14%0.04233%0.325CS..Hα-helixtrans-61.3-46.7173.6171.90000110.6V16 L17 Q18 N22 K23 I28 A51 L54 A55 M63 L67V16-V20 HydrophobicContact CG1-CG2 4.46Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.24Å; L17-V20 PolarHBondContact O-N 3.05Å; Q18-V20 VanDerWaalsContact C-N 3.33Å; Q18-V20 PolarHBondContact O-N 3.34Å; V20-N22 VanDerWaalsContact C-N 3.3Å; V20-N22 PolarHBondContact O-N 2.88Å; V20-K23 PolarHBondContact O-N 3.5Å; V20-I28 HydrophobicContact CG2-CD1 3.8Å; V20-A51 HydrophobicContact CG2-CB 3.99Å; V20-L54 HydrophobicContact CG1-CB 4.18Å; V20-A55 HydrophobicContact CG1-CB 4.45Å; V20-M63 HydrophobicContact CG1-CG 4.13Å; V20-L67 HydrophobicContact CG2-CD1 4.43Å; V20-L67 HydrophobicContact CG2-CD2 4.43Å
21R90.1Very high88.8Confident175 Ų17569.8 Ų69.866%0.6632%0.317SS*.Hα-helixtrans-60.3-38.9175.6-71.3176.5177.2177.2-0.4112.9L17 Q18 K23 L54L17-R21 WeakPolarHBondContact O-CG 3.36Å; L17-R21 PolarHBondContact O-N 3.39Å; L17-R21 VanDerWaalsContact O-N 3.11Å; Q18-R21 PolarHBondContact O-N 3.26Å; R21-K23 PolarHBondContact O-N 3.49Å; R21-L54 HydrophobicContact CG-CD1 4.36Å
22N92.1Very high88.8Confident114 Ų11466.7 Ų66.761%0.6130%0.303SS*.THydrogen-bonded Turntrans-81.5-2.5178.1-66.8-5.8000113.4Q18 C19 V20 D24Q18-N22 WeakPolarHBondContact O-CB 3.28Å; Q18-N22 PolarHBondContact O-N 3.32Å; C19-N22 CarbonylContact O-C 3.6Å; C19-N22 PolarHBondContact O-N 3.11Å; V20-N22 VanDerWaalsContact C-N 3.3Å; V20-N22 PolarHBondContact O-N 2.88Å; N22-D24 PolarHBondContact O-N 2.84Å
23K92.1Very high88.8Confident127 Ų12772 Ų7255%0.55233%0.325SS*.THydrogen-bonded Turntrans57.728.2-176.3-49.5-173.1-178.2-142.60114.9C19 V20 R21 K25 D60 M63C19-K23 PolarHBondContact O-N 3.11Å; V20-K23 PolarHBondContact O-N 3.5Å; R21-K23 PolarHBondContact O-N 3.49Å; K23-K25 PolarHBondContact O-N 2.88Å; K23-K25 VanDerWaalsContact O-N 3.11Å; K23-D60 WeakPolarHBondContact CD-OD2 3.47Å; K23-D60 WeakPolarHBondContact CE-OD2 3.43Å; K23-D60 IonicContact NZ-OD2 3.06Å; K23-D60 PolarHBondContact NZ-OD2 2.89Å; K23-M63 HydrophobicContact CB-CE 4.16Å
24D91.4Very high88.6Confident67 Ų6778.3 Ų78.336%0.35836%0.358SS..  trans-85.783.5-178.1-171.4-8.5000111.8C19 N22 K26 Q27 I28C19-D24 PolarHBondContact O-N 3.47Å; N22-D24 PolarHBondContact O-N 2.84Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.27Å; D24-K26 PolarHBondContact OD1-N 2.96Å; D24-Q27 HydrophobicContact CB-CB 4.27Å; D24-Q27 VanDerWaalsContact CG-CB 3.49Å; D24-Q27 PolarHBondContact O-N 3.35Å; D24-Q27 PolarHBondContact OD1-N 3.18Å; D24-Q27 VanDerWaalsContact OD1-N 3.17Å; D24-Q27 WeakPolarHBondContact OD2-CB 3.41Å; D24-I28 VanDerWaalsContact O-CG1 3.31Å; D24-I28 WeakPolarHBondContact O-CG1 3.23Å; D24-I28 PolarHBondContact O-N 2.93Å
25K91.8Very high88Confident77 Ų7775.4 Ų75.434%0.33535%0.354SS..Hα-helixtrans-59.5-38-179.3-62.6-170.9179.4-166.30113K23 Q27 I28 E29 D62 M63 F66K23-K25 PolarHBondContact O-N 2.88Å; K23-K25 VanDerWaalsContact O-N 3.11Å; K25-Q27 PolarHBondContact O-N 3.42Å; K25-I28 PolarHBondContact O-N 3.24Å; K25-E29 PolarHBondContact O-N 2.92Å; K25-D62 PolarHBondContact NZ-O 3.33Å; K25-M63 HydrophobicContact CG-CE 3.94Å; K25-F66 HydrophobicContact CB-CE1 3.96Å; K25-F66 HydrophobicContact CB-CE2 4.14Å; K25-F66 HydrophobicContact CB-CZ 3.74Å; K25-F66 HydrophobicContact CD-CD1 4.32Å; K25-F66 HydrophobicContact CD-CD2 4.14Å; K25-F66 HydrophobicContact CD-CE2 4.4Å; K25-F66 HydrophobicContact CD-CG 4.08Å; K25-F66 HydrophobicContact CG-CD1 4.13Å; K25-F66 HydrophobicContact CG-CE1 4.04Å; K25-F66 HydrophobicContact CG-CG 4.39Å; K25-F66 HydrophobicContact CG-CZ 4.23Å
26K90Very high87.5Confident178 Ų17875.3 Ų75.377%0.77435%0.352SS*.Hα-helixtrans-65.3-43.3-177-66.6-177.1-178.9178.90111.4D24 I28 E29 K30D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.27Å; D24-K26 PolarHBondContact OD1-N 2.96Å; K26-I28 VanDerWaalsContact C-N 3.33Å; K26-E29 PolarHBondContact O-N 3.18Å; K26-K30 PolarHBondContact O-N 3.21Å; K26-K30 VanDerWaalsContact O-N 3.13Å
27Q87.3Confident87Confident65 Ų6579.5 Ų79.530%0.30438%0.379SS..Hα-helixtrans-69.2-35.1178.5-168.670.26.600111.4C19 D24 K25 K30 L31C19-Q27 VanDerWaalsContact SG-CG 3.54Å; D24-Q27 HydrophobicContact CB-CB 4.27Å; D24-Q27 VanDerWaalsContact CG-CB 3.49Å; D24-Q27 PolarHBondContact O-N 3.35Å; D24-Q27 PolarHBondContact OD1-N 3.18Å; D24-Q27 VanDerWaalsContact OD1-N 3.17Å; D24-Q27 WeakPolarHBondContact OD2-CB 3.41Å; K25-Q27 PolarHBondContact O-N 3.42Å; Q27-K30 PolarHBondContact O-N 3.03Å; Q27-L31 HydrophobicContact CG-CD1 4.23Å; Q27-L31 WeakPolarHBondContact O-CB 3.49Å; Q27-L31 VanDerWaalsContact O-CG 3.27Å; Q27-L31 WeakPolarHBondContact O-CG 3.31Å; Q27-L31 PolarHBondContact O-N 3.06Å
28I88.9Confident86.5Confident0 Ų085.9 Ų85.90%041%0.409CS..Hα-helixtrans-61.1-51173.7-64164.7000110.1C19 V20 D24 K25 K26 K30 L31 T32 M63 F66 L67 L70C19-I28 HydrophobicContact CB-CD1 4.27Å; C19-I28 HydrophobicContact CB-CG1 3.68Å; V20-I28 HydrophobicContact CG2-CD1 3.8Å; D24-I28 VanDerWaalsContact O-CG1 3.31Å; D24-I28 WeakPolarHBondContact O-CG1 3.23Å; D24-I28 PolarHBondContact O-N 2.93Å; K25-I28 PolarHBondContact O-N 3.24Å; K26-I28 VanDerWaalsContact C-N 3.33Å; I28-K30 PolarHBondContact O-N 2.94Å; I28-L31 PolarHBondContact O-N 3.47Å; I28-L31 VanDerWaalsContact O-N 3.09Å; I28-T32 HydrophobicContact CG2-CG2 4.2Å; I28-T32 VanDerWaalsContact O-CG2 3.3Å; I28-T32 WeakPolarHBondContact O-CG2 3.49Å; I28-T32 PolarHBondContact O-N 3.27Å; I28-T32 PolarHBondContact O-OG1 3.08Å; I28-M63 HydrophobicContact CD1-CE 4.33Å; I28-M63 HydrophobicContact CD1-SD 3.95Å; I28-F66 HydrophobicContact CB-CE1 4.09Å; I28-F66 HydrophobicContact CD1-CE1 4.29Å; I28-F66 HydrophobicContact CG2-CE1 3.93Å; I28-L67 HydrophobicContact CG2-CD2 4.34Å; I28-L70 HydrophobicContact CG2-CD1 3.82Å
29E89.4Confident86.2Confident74 Ų7481.7 Ų81.735%0.34639%0.389SS..Hα-helixtrans-57.6-37.9177.4-67.3-172.2-166.300113.1K25 K26 T32 K33 F66 L70K25-E29 PolarHBondContact O-N 2.92Å; K26-E29 PolarHBondContact O-N 3.18Å; E29-T32 WeakPolarHBondContact CA-OG1 3.5Å; E29-T32 PolarHBondContact O-OG1 3.46Å; E29-T32 VanDerWaalsContact O-OG1 3.05Å; E29-K33 WeakPolarHBondContact O-CB 3.4Å; E29-K33 VanDerWaalsContact O-CG 3.29Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 3.29Å; E29-K33 VanDerWaalsContact O-N 3.07Å; E29-K33 IonicContact OE2-NZ 3.6Å; E29-F66 HydrophobicContact CG-CE2 4.03Å; E29-F66 HydrophobicContact CG-CZ 3.7Å; E29-L70 HydrophobicContact CG-CD2 4.43Å
30K86.3Confident86.1Confident121 Ų12182.1 Ų82.153%0.52639%0.391SS..Hα-helixtrans-66.6-43.2178.3-172.4177.4-179.6179.10111.1K26 Q27 I28 T32 L34K26-K30 PolarHBondContact O-N 3.21Å; K26-K30 VanDerWaalsContact O-N 3.13Å; Q27-K30 PolarHBondContact O-N 3.03Å; I28-K30 PolarHBondContact O-N 2.94Å; K30-T32 VanDerWaalsContact C-N 3.34Å; K30-L34 HydrophobicContact CG-CD1 3.85Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 2.63Å
31L84.2Confident86Confident26 Ų2683.9 Ų83.914%0.13640%0.4CS..Hα-helixtrans-67.5-34.4178.1-72.4169.5000111.9K15 V16 Q27 I28 G35K15-L31 HydrophobicContact CB-CD1 4.49Å; K15-L31 HydrophobicContact CG-CD1 3.98Å; V16-L31 HydrophobicContact CG2-CB 4.14Å; V16-L31 HydrophobicContact CG2-CD1 3.84Å; Q27-L31 HydrophobicContact CG-CD1 4.23Å; Q27-L31 WeakPolarHBondContact O-CB 3.49Å; Q27-L31 VanDerWaalsContact O-CG 3.27Å; Q27-L31 WeakPolarHBondContact O-CG 3.31Å; Q27-L31 PolarHBondContact O-N 3.06Å; I28-L31 PolarHBondContact O-N 3.47Å; I28-L31 VanDerWaalsContact O-N 3.09Å; L31-G35 WeakPolarHBondContact O-CA 3.38Å; L31-G35 PolarHBondContact O-N 2.98Å
32T84Confident85.9Confident36 Ų3679.3 Ų79.322%0.22138%0.384CS..Hα-helixtrans-76.8-30.3179.356.70000112.7I28 E29 K30 I40I28-T32 HydrophobicContact CG2-CG2 4.2Å; I28-T32 VanDerWaalsContact O-CG2 3.3Å; I28-T32 WeakPolarHBondContact O-CG2 3.49Å; I28-T32 PolarHBondContact O-N 3.27Å; I28-T32 PolarHBondContact O-OG1 3.08Å; E29-T32 WeakPolarHBondContact CA-OG1 3.5Å; E29-T32 PolarHBondContact O-OG1 3.46Å; E29-T32 VanDerWaalsContact O-OG1 3.05Å; K30-T32 VanDerWaalsContact C-N 3.34Å; T32-I40 HydrophobicContact CG2-CD1 3.4Å; T32-I40 HydrophobicContact CG2-CG1 3.3Å
33K84.6Confident85.8Confident154 Ų15476.3 Ų76.367%0.6737%0.369SS*.Hα-helixtrans-80.3-37.4175.7-71.5171.4-177.2164.90114E29E29-K33 WeakPolarHBondContact O-CB 3.4Å; E29-K33 VanDerWaalsContact O-CG 3.29Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 3.29Å; E29-K33 VanDerWaalsContact O-N 3.07Å; E29-K33 IonicContact OE2-NZ 3.6Å
34L81.1Confident85.6Confident136 Ų13670.9 Ų70.971%0.71235%0.346SS*.Hα-helixtrans-111.5-13.1-171.5-60.6174.5000114.1K30K30-L34 HydrophobicContact CG-CD1 3.85Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 2.63Å
35G76.9Confident85.2Confident24 Ų2469.9 Ų69.925%0.24734%0.343CS..SBendtrans-87.1-163-178.500000112.9L31L31-G35 WeakPolarHBondContact O-CA 3.38Å; L31-G35 PolarHBondContact O-N 2.98Å
36Y75.9Confident84.9Confident86 Ų8671 Ų7134%0.33735%0.352SS..SBendtrans-58.8141.3177.7-156.2-97.4000111.5E9 L39 Y42E9-Y36 HydrophobicContact CG-CD1 4.43Å; E9-Y36 HydrophobicContact CG-CE1 4.49Å; Y36-L39 VanDerWaalsContact O-CB 3.28Å; Y36-L39 WeakPolarHBondContact O-CB 3.43Å; Y36-L39 PolarHBondContact O-N 3.26Å; Y36-Y42 HydrophobicContact CD1-CE2 4.1Å; Y36-Y42 HydrophobicContact CE1-CE2 4.25Å
37P77.9Confident84.5Confident92 Ų9266.8 Ų66.860%0.59734%0.338SS*.THydrogen-bonded Turntrans-60.7139.4178.624.3-33.6000111.3L39P37-L39 PolarHBondContact O-N 3.37Å; P37-L39 VanDerWaalsContact O-N 3.11Å
38E80.9Confident84.5Confident147 Ų14763.9 Ų63.969%0.68733%0.325SS*.THydrogen-bonded Turntrans56.721.1-179-58.8-173.4171.900115.5I40 N41 Y42E38-I40 PolarHBondContact O-N 3.2Å; E38-N41 PolarHBondContact O-N 2.89Å; E38-Y42 HydrophobicContact CB-CE2 4.4Å; E38-Y42 WeakPolarHBondContact O-CD2 3.45Å
39L84.3Confident84.6Confident5 Ų565.6 Ų65.63%0.02633%0.334CS..G310 helixtrans-48.1-30.5-177.3-17663.3000114.6Q12 I13 V16 Y36 P37 N41 Y42Q12-L39 HydrophobicContact CB-CD1 3.98Å; Q12-L39 HydrophobicContact CB-CD2 3.9Å; I13-L39 HydrophobicContact CG1-CD1 3.63Å; V16-L39 HydrophobicContact CG2-CD2 3.52Å; V16-L39 HydrophobicContact CG2-CG 3.99Å; Y36-L39 VanDerWaalsContact O-CB 3.28Å; Y36-L39 WeakPolarHBondContact O-CB 3.43Å; Y36-L39 PolarHBondContact O-N 3.26Å; P37-L39 PolarHBondContact O-N 3.37Å; P37-L39 VanDerWaalsContact O-N 3.11Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 3.07Å; L39-Y42 PolarHBondContact O-N 3.04Å
40I87.2Confident84.7Confident13 Ų1362.1 Ų62.17%0.06732%0.318CS..G310 helixtrans-62.3-34-178.4-55.5174.4000112.5T32 E38 L70 A72T32-I40 HydrophobicContact CG2-CD1 3.4Å; T32-I40 HydrophobicContact CG2-CG1 3.3Å; E38-I40 PolarHBondContact O-N 3.2Å; I40-L70 HydrophobicContact CD1-CB 3.56Å; I40-L70 HydrophobicContact CD1-CD1 4.46Å; I40-L70 WeakPolarHBondContact CD1-O 3.49Å; I40-A72 HydrophobicContact CG2-CB 3.54Å
41N88.9Confident85Confident44 Ų4456.5 Ų56.524%0.23529%0.294CS..G310 helixtrans-89.6-10.2-174-66.8-33000113E38 L39 G71 A72 H73 V76E38-N41 PolarHBondContact O-N 2.89Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 3.07Å; N41-G71 PolarHBondContact ND2-O 2.97Å; N41-A72 VanDerWaalsContact OD1-CA 3.32Å; N41-A72 WeakPolarHBondContact OD1-CA 3.37Å; N41-H73 PolarHBondContact OD1-N 3.47Å; N41-V76 HydrophobicContact CB-CG2 4.47Å
42Y89.1Confident85.4Confident80 Ų8055.3 Ų55.331%0.31429%0.288SS..  trans-72149.3175.8-74.6-88.1000111.7E9 I13 Y36 E38 L39E9-Y42 WeakPolarHBondContact OE1-CD1 3.38Å; E9-Y42 VanDerWaalsContact OE1-CE1 3.29Å; E9-Y42 WeakPolarHBondContact OE1-CE1 3.48Å; I13-Y42 HydrophobicContact CD1-CG 4.27Å; Y36-Y42 HydrophobicContact CD1-CE2 4.1Å; Y36-Y42 HydrophobicContact CE1-CE2 4.25Å; E38-Y42 HydrophobicContact CB-CE2 4.4Å; E38-Y42 WeakPolarHBondContact O-CD2 3.45Å; L39-Y42 PolarHBondContact O-N 3.04Å
43T89.1Confident85.9Confident50 Ų5053.6 Ų53.631%0.30728%0.278SS..  trans-107.9149.3-177.554.10000111.1G48 V76T43-G48 VanDerWaalsContact CB-O 3.28Å; T43-G48 WeakPolarHBondContact CB-O 3.35Å; T43-G48 WeakPolarHBondContact CG2-O 3.29Å; T43-V76 HydrophobicContact CG2-CG1 3.31Å
44D88.3Confident86.3Confident14 Ų1447.4 Ų47.48%0.07525%0.252CS..  trans-56.4129.4173.7172.38.1000110.6Y14 L17 I46 G48 L49Y14-D44 HydrophobicContact CE1-CB 4.47Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.39Å; Y14-D44 PolarHBondContact OH-OD1 2.85Å; L17-D44 HydrophobicContact CD1-CB 3.9Å; D44-I46 PolarHBondContact O-N 2.92Å; D44-I46 VanDerWaalsContact O-N 3.08Å; D44-I46 PolarHBondContact OD1-N 3.36Å; D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 2.85Å; D44-L49 PolarHBondContact N-O 3.33Å
45P83.1Confident86.9Confident45 Ų4541 Ų4129%0.29222%0.218SC..THydrogen-bonded Turntrans-50.9-30.9173.6-27.632.4000115.1N10 R79N10-P45 HydrophobicContact CB-CG 4.31Å; N10-P45 VanDerWaalsContact OD1-CG 3.29Å; N10-P45 WeakPolarHBondContact OD1-CG 3.49Å; P45-R79 PolarHBondContact O-NE 3.18Å; P45-R79 PolarHBondContact O-NH2 2.81Å
46I84.8Confident87.7Confident100 Ų10039.8 Ų39.851%0.51321%0.206SC..THydrogen-bonded Turntrans-86.5-49.8-172.2-60.5171.5000112.3D44 R79D44-I46 PolarHBondContact O-N 2.92Å; D44-I46 VanDerWaalsContact O-N 3.08Å; D44-I46 PolarHBondContact OD1-N 3.36Å; I46-R79 WeakPolarHBondContact O-CD 3.28Å; I46-R79 PolarHBondContact O-NE 2.87Å; I46-R79 PolarHBondContact O-NH1 3.08Å
47N83.1Confident88.5Confident90 Ų9038.9 Ų38.948%0.48121%0.209SC..THydrogen-bonded Turntrans-111.2-13.5-173.5-65.9-41.5000113.3L49 R79N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 HydrophobicContact CB-CD1 3.98Å; N47-L49 HydrophobicContact CB-CG 3.85Å; N47-R79 WeakPolarHBondContact O-CB 3.31Å; N47-R79 PolarHBondContact O-N 3.01Å
48G87.4Confident89.2Confident4 Ų438 Ų384%0.04121%0.205CC..  trans75.915.5-172.400000113.6T43 D44 S50 D78T43-G48 VanDerWaalsContact CB-O 3.28Å; T43-G48 WeakPolarHBondContact CB-O 3.35Å; T43-G48 WeakPolarHBondContact CG2-O 3.29Å; D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 2.85Å; G48-S50 PolarHBondContact O-N 3.46Å; G48-D78 VanDerWaalsContact O-CA 3.29Å; G48-D78 WeakPolarHBondContact O-CA 3.29Å
49L89.1Confident89.7Confident36 Ų3633.6 Ų33.619%0.18819%0.186CC..  trans-75.9128.7-177.5-64.5171.4000111D44 N47 H53 L54D44-L49 PolarHBondContact N-O 3.33Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 HydrophobicContact CB-CD1 3.98Å; N47-L49 HydrophobicContact CB-CG 3.85Å; L49-H53 HydrophobicContact CD2-CB 4.01Å; L49-L54 HydrophobicContact CD1-CD2 4.3Å
50S92.3Very high90.2Very high2 Ų234.2 Ų34.21%0.01419%0.19CC..  trans-89.4169169.2780000111.6G48 L52 H53 L54G48-S50 PolarHBondContact O-N 3.46Å; S50-L52 PolarHBondContact O-N 3.25Å; S50-L52 PolarHBondContact OG-N 3.06Å; S50-H53 WeakPolarHBondContact CB-ND1 3.27Å; S50-H53 PolarHBondContact N-ND1 2.89Å; S50-H53 WeakPolarHBondContact O-CB 3Å; S50-H53 PolarHBondContact O-N 3.17Å; S50-H53 PolarHBondContact OG-N 2.92Å; S50-H53 PolarHBondContact OG-ND1 3.28Å; S50-L54 PolarHBondContact O-N 3.26Å
51A92.4Very high90.5Very high2 Ų236.2 Ų36.22%0.01720%0.2CC..Hα-helixtrans-55.3-39.2172.100000111.9V16 L17 V20 L54 A55 L67V16-A51 HydrophobicContact CG1-CB 4.31Å; L17-A51 HydrophobicContact CD2-CB 4.49Å; V20-A51 HydrophobicContact CG2-CB 3.99Å; A51-L54 PolarHBondContact O-N 3.21Å; A51-A55 PolarHBondContact O-N 3.18Å; A51-A55 VanDerWaalsContact O-N 3.08Å; A51-L67 HydrophobicContact CB-CD1 3.98Å; A51-L67 HydrophobicContact CB-CD2 4.17Å
52L93.7Very high90.7Very high2 Ų239.1 Ų39.11%0.0122%0.216CC..Hα-helixtrans-70.4-39-179.5-157.465.6000111.9S50 L54 A55 S56 V64 L67 L68 P74 P84 L100S50-L52 PolarHBondContact O-N 3.25Å; S50-L52 PolarHBondContact OG-N 3.06Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.08Å; L52-A55 PolarHBondContact O-N 3.16Å; L52-S56 WeakPolarHBondContact O-CB 3.14Å; L52-S56 PolarHBondContact O-N 2.94Å; L52-S56 PolarHBondContact O-OG 2.97Å; L52-S56 VanDerWaalsContact O-OG 3.06Å; L52-V64 HydrophobicContact CD1-CG1 4.16Å; L52-L67 HydrophobicContact CD1-CB 4.05Å; L52-L67 HydrophobicContact CD1-CD1 4.32Å; L52-L68 HydrophobicContact CD1-CD2 4.44Å; L52-L68 HydrophobicContact CD1-CG 4.29Å; L52-L68 HydrophobicContact CD2-CD2 4.15Å; L52-P74 HydrophobicContact CD2-CB 4.41Å; L52-P84 HydrophobicContact CB-CB 4.35Å; L52-P84 HydrophobicContact CB-CG 4.01Å; L52-P84 HydrophobicContact CD2-CB 4.14Å; L52-P84 HydrophobicContact CD2-CG 4Å; L52-P84 HydrophobicContact CG-CB 4.05Å; L52-P84 HydrophobicContact CG-CG 4.12Å; L52-L100 HydrophobicContact CD1-CD2 4.21Å; L52-L100 HydrophobicContact CD2-CD2 3.56Å; L52-L100 HydrophobicContact CG-CD2 3.97Å
53H94Very high91Very high0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-56.3-46.7172.6-73.197.7000111.9L49 S50 S56 V57 V76 C82 P84L49-H53 HydrophobicContact CD2-CB 4.01Å; S50-H53 WeakPolarHBondContact CB-ND1 3.27Å; S50-H53 PolarHBondContact N-ND1 2.89Å; S50-H53 WeakPolarHBondContact O-CB 3Å; S50-H53 PolarHBondContact O-N 3.17Å; S50-H53 PolarHBondContact OG-N 2.92Å; S50-H53 PolarHBondContact OG-ND1 3.28Å; H53-S56 PolarHBondContact O-N 2.83Å; H53-V57 WeakPolarHBondContact O-CB 3.5Å; H53-V57 VanDerWaalsContact O-CG2 3.25Å; H53-V57 WeakPolarHBondContact O-CG2 3.47Å; H53-V57 PolarHBondContact O-N 3.35Å; H53-V76 PolarHBondContact CE1-O 3.34Å; H53-V76 PolarHBondContact NE2-O 2.92Å; H53-C82 PolarHBondContact NE2-O 3.11Å; H53-P84 WeakPolarHBondContact NE2-CD 3.46Å
54L93Very high91.2Very high24 Ų2433 Ų3313%0.12619%0.187CC..Hα-helixtrans-64.3-44.3179.1-74-179.3000112L17 V20 R21 L49 S50 A51 L52 V57 S58L17-L54 HydrophobicContact CB-CD1 3.78Å; L17-L54 HydrophobicContact CD2-CD1 3.57Å; L17-L54 HydrophobicContact CD2-CG 4.35Å; L17-L54 HydrophobicContact CG-CD1 4.17Å; V20-L54 HydrophobicContact CG1-CB 4.18Å; R21-L54 HydrophobicContact CG-CD1 4.36Å; L49-L54 HydrophobicContact CD1-CD2 4.3Å; S50-L54 PolarHBondContact O-N 3.26Å; A51-L54 PolarHBondContact O-N 3.21Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.08Å; L54-V57 PolarHBondContact O-N 3.44Å; L54-S58 WeakPolarHBondContact O-CB 3.32Å; L54-S58 PolarHBondContact O-N 2.96Å; L54-S58 PolarHBondContact O-OG 3.33Å; L54-S58 VanDerWaalsContact O-OG 3.11Å
55A94.1Very high91.5Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-61.3-45.7177.700000111V20 A51 L52 S58 N59 D60 M63 V64 L67V20-A55 HydrophobicContact CG1-CB 4.45Å; A51-A55 PolarHBondContact O-N 3.18Å; A51-A55 VanDerWaalsContact O-N 3.08Å; L52-A55 PolarHBondContact O-N 3.16Å; A55-S58 PolarHBondContact O-N 3.33Å; A55-S58 PolarHBondContact O-OG 3.38Å; A55-N59 PolarHBondContact O-N 3.25Å; A55-D60 PolarHBondContact O-N 3.15Å; A55-D60 VanDerWaalsContact O-N 3.11Å; A55-M63 HydrophobicContact CB-CB 4.18Å; A55-M63 HydrophobicContact CB-CG 3.95Å; A55-V64 HydrophobicContact CB-CG2 3.7Å; A55-L67 HydrophobicContact CB-CD1 3.85Å
56S93.3Very high92.1Very high0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-58.3-50.2174.1-67.10000112L52 H53 S58 N59 H93L52-S56 WeakPolarHBondContact O-CB 3.14Å; L52-S56 PolarHBondContact O-N 2.94Å; L52-S56 PolarHBondContact O-OG 2.97Å; L52-S56 VanDerWaalsContact O-OG 3.06Å; H53-S56 PolarHBondContact O-N 2.83Å; S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact O-N 2.71Å; S56-N59 PolarHBondContact O-N 2.93Å; S56-H93 PolarHBondContact O-CD2 3.48Å
57V93.3Very high92.5Very high66 Ų6628.5 Ų28.540%0.416%0.163SC..Hα-helixtrans-61.7-35.2179.91680000112.6H53 L54 N59 R87 L91 H93H53-V57 WeakPolarHBondContact O-CB 3.5Å; H53-V57 VanDerWaalsContact O-CG2 3.25Å; H53-V57 WeakPolarHBondContact O-CG2 3.47Å; H53-V57 PolarHBondContact O-N 3.35Å; L54-V57 PolarHBondContact O-N 3.44Å; V57-N59 PolarHBondContact O-N 2.79Å; V57-R87 HydrophobicContact CG2-CB 3.97Å; V57-R87 HydrophobicContact CG2-CG 4.46Å; V57-L91 HydrophobicContact CB-CD1 4.26Å; V57-L91 HydrophobicContact CG1-CD1 4.02Å; V57-L91 HydrophobicContact CG2-CD1 4.36Å; V57-H93 PolarHBondContact O-NE2 2.85Å
58S91.6Very high93Very high73 Ų7325.6 Ų25.651%0.5115%0.147SC..THydrogen-bonded Turntrans-78.3-3.9176.566.20000114.7L54 A55 S56 D60L54-S58 WeakPolarHBondContact O-CB 3.32Å; L54-S58 PolarHBondContact O-N 2.96Å; L54-S58 PolarHBondContact O-OG 3.33Å; L54-S58 VanDerWaalsContact O-OG 3.11Å; A55-S58 PolarHBondContact O-N 3.33Å; A55-S58 PolarHBondContact O-OG 3.38Å; S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact O-N 2.71Å; S58-D60 PolarHBondContact O-N 3.13Å; S58-D60 WeakPolarHBondContact OG-CB 3.41Å
59N92.6Very high93.2Very high56 Ų5632 Ų3230%0.29918%0.181SC..THydrogen-bonded Turntrans53.734.8-171.1-16438.1000113.3A55 S56 V57 I61 H93A55-N59 PolarHBondContact O-N 3.25Å; S56-N59 PolarHBondContact O-N 2.93Å; V57-N59 PolarHBondContact O-N 2.79Å; N59-I61 PolarHBondContact O-N 3.15Å; N59-H93 WeakPolarHBondContact OD1-CB 3.12Å
60D93.4Very high93.3Very high17 Ų1732.9 Ų32.99%0.09119%0.185CC..  trans-89.789.7-179.6-163.6-28.1000110.9K23 A55 S58 D62 M63 V64K23-D60 WeakPolarHBondContact CD-OD2 3.47Å; K23-D60 WeakPolarHBondContact CE-OD2 3.43Å; K23-D60 IonicContact NZ-OD2 3.06Å; K23-D60 PolarHBondContact NZ-OD2 2.89Å; A55-D60 PolarHBondContact O-N 3.15Å; A55-D60 VanDerWaalsContact O-N 3.11Å; S58-D60 PolarHBondContact O-N 3.13Å; S58-D60 WeakPolarHBondContact OG-CB 3.41Å; D60-D62 VanDerWaalsContact C-N 3.3Å; D60-D62 PolarHBondContact O-N 3.36Å; D60-D62 PolarHBondContact OD1-N 2.87Å; D60-M63 HydrophobicContact CB-CB 3.86Å; D60-M63 PolarHBondContact O-N 3.48Å; D60-M63 PolarHBondContact OD1-N 3.47Å; D60-M63 VanDerWaalsContact OD1-N 3.15Å; D60-V64 WeakPolarHBondContact O-CG2 3.38Å; D60-V64 PolarHBondContact O-N 3.3Å
61I94.3Very high93.2Very high55 Ų5535 Ų3528%0.28221%0.207SC..Hα-helixtrans-57.7-43.6-176.3-55.1172.4000111.1N59 M63 V64 S65 L95 I99N59-I61 PolarHBondContact O-N 3.15Å; I61-M63 VanDerWaalsContact C-N 3.29Å; I61-M63 PolarHBondContact O-N 3.01Å; I61-V64 PolarHBondContact O-N 3.4Å; I61-S65 PolarHBondContact O-N 3.1Å; I61-S65 PolarHBondContact O-OG 3.23Å; I61-L95 HydrophobicContact CD1-CB 3.83Å; I61-L95 HydrophobicContact CD1-CD1 3.54Å; I61-L95 HydrophobicContact CD1-CG 4.34Å; I61-L95 HydrophobicContact CG1-CB 4.27Å; I61-I99 HydrophobicContact CB-CD1 4.49Å; I61-I99 HydrophobicContact CG2-CD1 3.28Å
62D93.9Very high93.2Very high106 Ų10635.3 Ų35.357%0.56721%0.21SC*.Hα-helixtrans-72.7-24.7-177.2-66.7-22.8000112.5K25 D60 S65 F66K25-D62 PolarHBondContact NZ-O 3.33Å; D60-D62 VanDerWaalsContact C-N 3.3Å; D60-D62 PolarHBondContact O-N 3.36Å; D60-D62 PolarHBondContact OD1-N 2.87Å; D62-S65 PolarHBondContact O-OG 3.04Å; D62-F66 WeakPolarHBondContact O-CB 3.47Å; D62-F66 PolarHBondContact O-N 3.43Å
63M93.9Very high93.2Very high2 Ų239.9 Ų39.91%0.0123%0.231CC..Hα-helixtrans-82.6-39.2173.9-17060.665.500111.1V20 K23 K25 I28 A55 D60 I61 F66 L67V20-M63 HydrophobicContact CG1-CG 4.13Å; K23-M63 HydrophobicContact CB-CE 4.16Å; K25-M63 HydrophobicContact CG-CE 3.94Å; I28-M63 HydrophobicContact CD1-CE 4.33Å; I28-M63 HydrophobicContact CD1-SD 3.95Å; A55-M63 HydrophobicContact CB-CB 4.18Å; A55-M63 HydrophobicContact CB-CG 3.95Å; D60-M63 HydrophobicContact CB-CB 3.86Å; D60-M63 PolarHBondContact O-N 3.48Å; D60-M63 PolarHBondContact OD1-N 3.47Å; D60-M63 VanDerWaalsContact OD1-N 3.15Å; I61-M63 VanDerWaalsContact C-N 3.29Å; I61-M63 PolarHBondContact O-N 3.01Å; M63-F66 PolarHBondContact O-N 3.05Å; M63-F66 HydrophobicContact SD-CD1 3.75Å; M63-F66 HydrophobicContact SD-CE1 4.37Å; M63-L67 HydrophobicContact CG-CD1 3.95Å; M63-L67 HydrophobicContact CG-CG 4.22Å; M63-L67 WeakPolarHBondContact O-CB 3.28Å; M63-L67 WeakPolarHBondContact O-CG 3.49Å; M63-L67 PolarHBondContact O-N 3.49Å; M63-L67 HydrophobicContact SD-CD1 4.49Å; M63-L67 HydrophobicContact SD-CG 4.23Å
64V94Very high93.1Very high0 Ų040.4 Ų40.40%023%0.234CC..Hα-helixtrans-59.2-49.5175.1171.10000110.4L52 A55 D60 I61 F66 L67 L68 I99 L100L52-V64 HydrophobicContact CD1-CG1 4.16Å; A55-V64 HydrophobicContact CB-CG2 3.7Å; D60-V64 WeakPolarHBondContact O-CG2 3.38Å; D60-V64 PolarHBondContact O-N 3.3Å; I61-V64 PolarHBondContact O-N 3.4Å; V64-F66 PolarHBondContact O-N 2.79Å; V64-L67 PolarHBondContact O-N 3.26Å; V64-L68 HydrophobicContact CG1-CD1 3.92Å; V64-L68 WeakPolarHBondContact O-CD1 3.47Å; V64-L68 VanDerWaalsContact O-CG 3.25Å; V64-L68 WeakPolarHBondContact O-CG 3.28Å; V64-L68 PolarHBondContact O-N 2.97Å; V64-I99 HydrophobicContact CG1-CB 4.41Å; V64-I99 HydrophobicContact CG1-CG2 3.92Å; V64-L100 HydrophobicContact CG1-CD2 4.01Å; V64-L100 HydrophobicContact CG1-CG 4.13Å
65S94.8Very high93.1Very high40 Ų4040.8 Ų40.828%0.2824%0.236SC..Hα-helixtrans-60.1-47.4176.756.80000112I61 D62 L67 L68 D69I61-S65 PolarHBondContact O-N 3.1Å; I61-S65 PolarHBondContact O-OG 3.23Å; D62-S65 PolarHBondContact O-OG 3.04Å; S65-L67 PolarHBondContact O-N 2.97Å; S65-L68 PolarHBondContact O-N 3.23Å; S65-D69 VanDerWaalsContact O-CG 3.25Å; S65-D69 PolarHBondContact O-N 3.4Å
66F94.3Very high93Very high23 Ų2341.9 Ų41.910%0.10124%0.243CC..Hα-helixtrans-61-40.3179.2172.1-102.2000113.3K25 I28 E29 D62 M63 V64 D69 L70K25-F66 HydrophobicContact CB-CE1 3.96Å; K25-F66 HydrophobicContact CB-CE2 4.14Å; K25-F66 HydrophobicContact CB-CZ 3.74Å; K25-F66 HydrophobicContact CD-CD1 4.32Å; K25-F66 HydrophobicContact CD-CD2 4.14Å; K25-F66 HydrophobicContact CD-CE2 4.4Å; K25-F66 HydrophobicContact CD-CG 4.08Å; K25-F66 HydrophobicContact CG-CD1 4.13Å; K25-F66 HydrophobicContact CG-CE1 4.04Å; K25-F66 HydrophobicContact CG-CG 4.39Å; K25-F66 HydrophobicContact CG-CZ 4.23Å; I28-F66 HydrophobicContact CB-CE1 4.09Å; I28-F66 HydrophobicContact CD1-CE1 4.29Å; I28-F66 HydrophobicContact CG2-CE1 3.93Å; E29-F66 HydrophobicContact CG-CE2 4.03Å; E29-F66 HydrophobicContact CG-CZ 3.7Å; D62-F66 WeakPolarHBondContact O-CB 3.47Å; D62-F66 PolarHBondContact O-N 3.43Å; M63-F66 PolarHBondContact O-N 3.05Å; M63-F66 HydrophobicContact SD-CD1 3.75Å; M63-F66 HydrophobicContact SD-CE1 4.37Å; V64-F66 PolarHBondContact O-N 2.79Å; F66-D69 PolarHBondContact O-N 3.48Å; F66-L70 HydrophobicContact CD1-CD1 4.12Å; F66-L70 HydrophobicContact CE1-CD1 3.5Å; F66-L70 HydrophobicContact CE2-CD1 4.12Å; F66-L70 HydrophobicContact CE2-CG 4.43Å; F66-L70 HydrophobicContact CZ-CD1 3.52Å; F66-L70 HydrophobicContact CZ-CG 4.29Å; F66-L70 WeakPolarHBondContact O-CG 3.34Å; F66-L70 PolarHBondContact O-N 3.14Å; F66-L70 VanDerWaalsContact O-N 3.16Å
67L93.8Very high93Very high0 Ų046.2 Ų46.20%026%0.263CS..Hα-helixtrans-68.6-39.3177.3-71.4172.4000111.5V20 I28 A51 L52 A55 M63 V64 S65 L70 G71 A72V20-L67 HydrophobicContact CG2-CD1 4.43Å; V20-L67 HydrophobicContact CG2-CD2 4.43Å; I28-L67 HydrophobicContact CG2-CD2 4.34Å; A51-L67 HydrophobicContact CB-CD1 3.98Å; A51-L67 HydrophobicContact CB-CD2 4.17Å; L52-L67 HydrophobicContact CD1-CB 4.05Å; L52-L67 HydrophobicContact CD1-CD1 4.32Å; A55-L67 HydrophobicContact CB-CD1 3.85Å; M63-L67 HydrophobicContact CG-CD1 3.95Å; M63-L67 HydrophobicContact CG-CG 4.22Å; M63-L67 WeakPolarHBondContact O-CB 3.28Å; M63-L67 WeakPolarHBondContact O-CG 3.49Å; M63-L67 PolarHBondContact O-N 3.49Å; M63-L67 HydrophobicContact SD-CD1 4.49Å; M63-L67 HydrophobicContact SD-CG 4.23Å; V64-L67 PolarHBondContact O-N 3.26Å; S65-L67 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 3.39Å; L67-G71 PolarHBondContact O-N 3.15Å; L67-A72 HydrophobicContact CB-CB 4.08Å; L67-A72 WeakPolarHBondContact O-CB 3.38Å; L67-A72 PolarHBondContact O-N 3.34Å
68L93.4Very high93Very high29 Ų2943.6 Ų43.615%0.15225%0.247CC..Hα-helixtrans-63.9-41.2174.5-68.7166000111.5L52 V64 S65 L70 G71 I99 L100 A103L52-L68 HydrophobicContact CD1-CD2 4.44Å; L52-L68 HydrophobicContact CD1-CG 4.29Å; L52-L68 HydrophobicContact CD2-CD2 4.15Å; V64-L68 HydrophobicContact CG1-CD1 3.92Å; V64-L68 WeakPolarHBondContact O-CD1 3.47Å; V64-L68 VanDerWaalsContact O-CG 3.25Å; V64-L68 WeakPolarHBondContact O-CG 3.28Å; V64-L68 PolarHBondContact O-N 2.97Å; S65-L68 PolarHBondContact O-N 3.23Å; L68-L70 PolarHBondContact O-N 3.45Å; L68-G71 PolarHBondContact O-N 3.13Å; L68-I99 HydrophobicContact CD1-CG2 3.64Å; L68-L100 HydrophobicContact CD1-CD2 4.31Å; L68-L100 HydrophobicContact CD2-CD2 4.43Å; L68-A103 HydrophobicContact CD1-CB 3.82Å; L68-A103 HydrophobicContact CD2-CB 3.89Å; L68-A103 HydrophobicContact CG-CB 4.39Å
69D92.9Very high92.9Very high140 Ų14047.3 Ų47.375%0.74925%0.25SC*.Hα-helixtrans-61.8-30.2175.4-69.4-22.6000112.4S65 F66 G71S65-D69 VanDerWaalsContact O-CG 3.25Å; S65-D69 PolarHBondContact O-N 3.4Å; F66-D69 PolarHBondContact O-N 3.48Å; D69-G71 VanDerWaalsContact C-N 3.25Å; D69-G71 PolarHBondContact O-N 3.08Å
70L91.1Very high92.7Very high54 Ų5449.8 Ų49.828%0.28326%0.261SS..THydrogen-bonded Turntrans-80.3-1.4174.1-69.5175.9000113.9I28 E29 I40 F66 L67 L68I28-L70 HydrophobicContact CG2-CD1 3.82Å; E29-L70 HydrophobicContact CG-CD2 4.43Å; I40-L70 HydrophobicContact CD1-CB 3.56Å; I40-L70 HydrophobicContact CD1-CD1 4.46Å; I40-L70 WeakPolarHBondContact CD1-O 3.49Å; F66-L70 HydrophobicContact CD1-CD1 4.12Å; F66-L70 HydrophobicContact CE1-CD1 3.5Å; F66-L70 HydrophobicContact CE2-CD1 4.12Å; F66-L70 HydrophobicContact CE2-CG 4.43Å; F66-L70 HydrophobicContact CZ-CD1 3.52Å; F66-L70 HydrophobicContact CZ-CG 4.29Å; F66-L70 WeakPolarHBondContact O-CG 3.34Å; F66-L70 PolarHBondContact O-N 3.14Å; F66-L70 VanDerWaalsContact O-N 3.16Å; L67-L70 PolarHBondContact O-N 3.39Å; L68-L70 PolarHBondContact O-N 3.45Å
71G89.8Confident92.6Very high46 Ų4649.1 Ų49.147%0.47426%0.258SS..THydrogen-bonded Turntrans92.324.2179.200000114.8N41 L67 L68 D69 H73N41-G71 PolarHBondContact ND2-O 2.97Å; L67-G71 PolarHBondContact O-N 3.15Å; L68-G71 PolarHBondContact O-N 3.13Å; D69-G71 VanDerWaalsContact C-N 3.25Å; D69-G71 PolarHBondContact O-N 3.08Å; G71-H73 PolarHBondContact O-N 2.97Å
72A92.8Very high92.5Very high8 Ų846.6 Ų46.67%0.06625%0.245CC..  trans-63.5130.2169.300000110.8I40 N41 L67I40-A72 HydrophobicContact CG2-CB 3.54Å; N41-A72 VanDerWaalsContact OD1-CA 3.32Å; N41-A72 WeakPolarHBondContact OD1-CA 3.37Å; L67-A72 HydrophobicContact CB-CB 4.08Å; L67-A72 WeakPolarHBondContact O-CB 3.38Å; L67-A72 PolarHBondContact O-N 3.34Å
73H92.6Very high92.6Very high98 Ų9841.6 Ų41.645%0.45422%0.218SC..  trans-79.7129.4175.2-160.7-77000110N41 G71 D75 V76N41-H73 PolarHBondContact OD1-N 3.47Å; G71-H73 PolarHBondContact O-N 2.97Å; H73-D75 VanDerWaalsContact C-N 3.29Å; H73-D75 IonicContact CE1-OD2 3.86Å; H73-D75 PolarHBondContact CE1-OD2 2.89Å; H73-D75 PolarHBondContact ND1-N 3.11Å; H73-D75 VanDerWaalsContact ND1-N 3.16Å; H73-D75 IonicContact ND1-OD2 3.96Å; H73-D75 PolarHBondContact O-N 3.35Å; H73-V76 HydrophobicContact CB-CG2 4.07Å; H73-V76 WeakPolarHBondContact O-CG2 3.27Å
74P92.5Very high92.6Very high11 Ų1141.5 Ų41.57%0.07122%0.218CC..THydrogen-bonded Turntrans-70.7-24.2-17727.1-33.9000113.7L52 P84 L100 A105L52-P74 HydrophobicContact CD2-CB 4.41Å; P74-P84 VanDerWaalsContact O-CD 3.24Å; P74-P84 WeakPolarHBondContact O-CD 3.36Å; P74-P84 WeakPolarHBondContact O-CG 3.36Å; P74-L100 HydrophobicContact CB-CD2 4.33Å; P74-A105 HydrophobicContact CB-CB 3.69Å; P74-A105 HydrophobicContact CG-CB 4.11Å
75D92.9Very high92.6Very high33 Ų3341.5 Ų41.518%0.17622%0.218CC..THydrogen-bonded Turntrans-97.417.5-171.7-51.2-40.6000114.6H73 Q77 A105 D106 I109H73-D75 VanDerWaalsContact C-N 3.29Å; H73-D75 IonicContact CE1-OD2 3.86Å; H73-D75 PolarHBondContact CE1-OD2 2.89Å; H73-D75 PolarHBondContact ND1-N 3.11Å; H73-D75 VanDerWaalsContact ND1-N 3.16Å; H73-D75 IonicContact ND1-OD2 3.96Å; H73-D75 PolarHBondContact O-N 3.35Å; D75-Q77 PolarHBondContact O-N 3.33Å; D75-A105 WeakPolarHBondContact OD1-CA 3.33Å; D75-D106 PolarHBondContact OD1-N 2.83Å; D75-I109 HydrophobicContact CB-CD1 3.57Å
76V92.3Very high92.6Very high22 Ų2239.6 Ų39.613%0.13321%0.205CC..  trans-62130.6173.6177.70000108.7N41 T43 H53 H73 P84N41-V76 HydrophobicContact CB-CG2 4.47Å; T43-V76 HydrophobicContact CG2-CG1 3.31Å; H53-V76 PolarHBondContact CE1-O 3.34Å; H53-V76 PolarHBondContact NE2-O 2.92Å; H73-V76 HydrophobicContact CB-CG2 4.07Å; H73-V76 WeakPolarHBondContact O-CG2 3.27Å; V76-P84 WeakPolarHBondContact O-CD 3.37Å
77Q92.8Very high92.6Very high91 Ų9140.9 Ų40.943%0.42521%0.209SC..  trans-99.4140.9179.4-67.8-178-55.700111.8D75 G81 C82 T83 I109 V110D75-Q77 PolarHBondContact O-N 3.33Å; Q77-G81 PolarHBondContact NE2-O 3.49Å; Q77-C82 WeakPolarHBondContact CA-O 3.5Å; Q77-T83 HydrophobicContact CG-CG2 4.1Å; Q77-I109 HydrophobicContact CG-CG2 4.36Å; Q77-V110 PolarHBondContact NE2-O 3Å
78D92.5Very high92.7Very high12 Ų1240.9 Ų40.96%0.06421%0.209CC..  trans-75.8-178.7168.174.314.8000112.3G48 M80 G81 C82 R87G48-D78 VanDerWaalsContact O-CA 3.29Å; G48-D78 WeakPolarHBondContact O-CA 3.29Å; D78-M80 PolarHBondContact O-N 3.21Å; D78-M80 VanDerWaalsContact OD1-CA 3.29Å; D78-M80 WeakPolarHBondContact OD1-CA 3.35Å; D78-M80 WeakPolarHBondContact OD1-CB 3.37Å; D78-M80 PolarHBondContact OD1-N 3Å; D78-G81 PolarHBondContact O-N 3.17Å; D78-G81 PolarHBondContact OD1-N 2.93Å; D78-G81 VanDerWaalsContact OD1-N 3.13Å; D78-C82 PolarHBondContact N-O 2.98Å; D78-C82 PolarHBondContact OD1-N 2.95Å; D78-R87 IonicContact OD2-CZ 3.86Å; D78-R87 IonicContact OD2-NE 3.65Å; D78-R87 PolarHBondContact OD2-NE 2.58Å; D78-R87 VanDerWaalsContact OD2-NE 3.15Å; D78-R87 IonicContact OD2-NH2 2.89Å; D78-R87 PolarHBondContact OD2-NH2 2.87Å
79R90.2Very high92.7Very high151 Ų15139.5 Ų39.557%0.5720%0.202SC*.THydrogen-bonded Turntrans-63.2-21.8179.2-81-178.6170-152.3-11113.8P45 I46 N47 G81 N112P45-R79 PolarHBondContact O-NE 3.18Å; P45-R79 PolarHBondContact O-NH2 2.81Å; I46-R79 WeakPolarHBondContact O-CD 3.28Å; I46-R79 PolarHBondContact O-NE 2.87Å; I46-R79 PolarHBondContact O-NH1 3.08Å; N47-R79 WeakPolarHBondContact O-CB 3.31Å; N47-R79 PolarHBondContact O-N 3.01Å; R79-G81 VanDerWaalsContact C-N 3.28Å; R79-N112 PolarHBondContact O-ND2 3.13Å
80M87.9Confident92.8Very high107 Ų10736.6 Ų36.653%0.52718%0.184SC..THydrogen-bonded Turntrans-86.9-1.3175.5-58.6-67.188.200112.1D78 C82 N112D78-M80 PolarHBondContact O-N 3.21Å; D78-M80 VanDerWaalsContact OD1-CA 3.29Å; D78-M80 WeakPolarHBondContact OD1-CA 3.35Å; D78-M80 WeakPolarHBondContact OD1-CB 3.37Å; D78-M80 PolarHBondContact OD1-N 3Å; M80-C82 VanDerWaalsContact C-N 3.25Å; M80-N112 VanDerWaalsContact C-CG 3.4Å; M80-N112 VanDerWaalsContact C-ND2 3.32Å; M80-N112 WeakPolarHBondContact CA-ND2 3.47Å; M80-N112 WeakPolarHBondContact O-CB 3.27Å; M80-N112 PolarHBondContact O-N 2.91Å; M80-N112 PolarHBondContact O-ND2 3.34Å; M80-N112 PolarHBondContact O-OD1 3.23Å
81G91.3Very high92.9Very high3 Ų337.4 Ų37.43%0.03119%0.188CC..SBendtrans80.75.4-174.600000113Q77 D78 R79Q77-G81 PolarHBondContact NE2-O 3.49Å; D78-G81 PolarHBondContact O-N 3.17Å; D78-G81 PolarHBondContact OD1-N 2.93Å; D78-G81 VanDerWaalsContact OD1-N 3.13Å; R79-G81 VanDerWaalsContact C-N 3.28Å
82C93.3Very high93Very high3 Ų335.2 Ų35.22%0.0217%0.165CC..  trans-78.7139.4-179-57.30000110.3H53 Q77 D78 M80 M86 Y120H53-C82 PolarHBondContact NE2-O 3.11Å; Q77-C82 WeakPolarHBondContact CA-O 3.5Å; D78-C82 PolarHBondContact N-O 2.98Å; D78-C82 PolarHBondContact OD1-N 2.95Å; M80-C82 VanDerWaalsContact C-N 3.25Å; C82-M86 HydrophobicContact CB-CB 4.27Å; C82-M86 HydrophobicContact CB-SD 4.19Å; C82-Y120 PolarHBondContact SG-OH 3.29Å
83T94.7Very high93.1Very high0 Ų035.9 Ų35.90%017%0.167CC..  trans-89.9164.9172.460.80000111.4Q77 T85 M86 R87 I109Q77-T83 HydrophobicContact CG-CG2 4.1Å; T83-T85 PolarHBondContact O-N 2.84Å; T83-T85 PolarHBondContact OG1-OG1 3.47Å; T83-M86 WeakPolarHBondContact O-CB 3.33Å; T83-M86 PolarHBondContact O-N 3.47Å; T83-M86 WeakPolarHBondContact OG1-CG 3.36Å; T83-M86 PolarHBondContact OG1-N 3.37Å; T83-R87 PolarHBondContact O-N 3.05Å; T83-I109 HydrophobicContact CG2-CB 4.23Å; T83-I109 HydrophobicContact CG2-CD1 4.12Å; T83-I109 HydrophobicContact CG2-CG2 3.79Å
84P94.3Very high93.2Very high0 Ų032.9 Ų32.90%015%0.153CC..Hα-helixtrans-53.9-34.9169.9-28.334.2000113.1L52 H53 P74 V76 R87 A88 L100L52-P84 HydrophobicContact CB-CB 4.35Å; L52-P84 HydrophobicContact CB-CG 4.01Å; L52-P84 HydrophobicContact CD2-CB 4.14Å; L52-P84 HydrophobicContact CD2-CG 4Å; L52-P84 HydrophobicContact CG-CB 4.05Å; L52-P84 HydrophobicContact CG-CG 4.12Å; H53-P84 WeakPolarHBondContact NE2-CD 3.46Å; P74-P84 VanDerWaalsContact O-CD 3.24Å; P74-P84 WeakPolarHBondContact O-CD 3.36Å; P74-P84 WeakPolarHBondContact O-CG 3.36Å; V76-P84 WeakPolarHBondContact O-CD 3.37Å; P84-R87 PolarHBondContact O-N 2.91Å; P84-A88 WeakPolarHBondContact O-CB 3.44Å; P84-A88 PolarHBondContact O-N 2.85Å; P84-L100 HydrophobicContact CB-CD1 4.23Å
85T94.9Very high93.2Very high0 Ų036.2 Ų36.20%017%0.17CC..Hα-helixtrans-66.6-40.9174.848.20000112T83 A88 A89 L100 A105 M107T83-T85 PolarHBondContact O-N 2.84Å; T83-T85 PolarHBondContact OG1-OG1 3.47Å; T85-A88 PolarHBondContact O-N 3.06Å; T85-A89 WeakPolarHBondContact O-CB 3.29Å; T85-A89 PolarHBondContact O-N 2.97Å; T85-L100 HydrophobicContact CG2-CB 3.54Å; T85-L100 HydrophobicContact CG2-CD1 3.74Å; T85-L100 HydrophobicContact CG2-CG 4.22Å; T85-A105 HydrophobicContact CG2-CB 3.64Å; T85-M107 HydrophobicContact CG2-CE 4.04Å; T85-M107 HydrophobicContact CG2-SD 4.3Å
86M95.1Very high93.3Very high1 Ų134.7 Ų34.71%0.00516%0.162CC..Hα-helixtrans-63.5-42.6174-67.8175.7-174.800112.1C82 T83 A89 E90 I109 D111 V117 Y120C82-M86 HydrophobicContact CB-CB 4.27Å; C82-M86 HydrophobicContact CB-SD 4.19Å; T83-M86 WeakPolarHBondContact O-CB 3.33Å; T83-M86 PolarHBondContact O-N 3.47Å; T83-M86 WeakPolarHBondContact OG1-CG 3.36Å; T83-M86 PolarHBondContact OG1-N 3.37Å; M86-A89 VanDerWaalsContact O-CB 3.28Å; M86-A89 WeakPolarHBondContact O-CB 3.28Å; M86-A89 PolarHBondContact O-N 3Å; M86-A89 VanDerWaalsContact O-N 3.15Å; M86-E90 WeakPolarHBondContact O-CB 3.1Å; M86-E90 PolarHBondContact O-N 3.3Å; M86-I109 HydrophobicContact CE-CB 4.46Å; M86-I109 HydrophobicContact CE-CG2 4.28Å; M86-I109 WeakPolarHBondContact CE-O 3.45Å; M86-D111 HydrophobicContact SD-CB 4.48Å; M86-V117 HydrophobicContact CE-CG2 4.11Å; M86-V117 HydrophobicContact CG-CB 4.35Å; M86-V117 HydrophobicContact CG-CG2 3.76Å; M86-Y120 HydrophobicContact CB-CD2 4.01Å; M86-Y120 HydrophobicContact CB-CE2 4.01Å; M86-Y120 HydrophobicContact CG-CD2 4.11Å; M86-Y120 HydrophobicContact CG-CE2 4.03Å; M86-Y120 HydrophobicContact SD-CE2 3.94Å
87R94.1Very high93.4Very high50 Ų5033.6 Ų33.619%0.18916%0.155CC..Hα-helixtrans-66-38176.3-65.5-57-175-175.2-4.1112.6V57 D78 T83 P84 A89 E90 L91V57-R87 HydrophobicContact CG2-CB 3.97Å; V57-R87 HydrophobicContact CG2-CG 4.46Å; D78-R87 IonicContact OD2-CZ 3.86Å; D78-R87 IonicContact OD2-NE 3.65Å; D78-R87 PolarHBondContact OD2-NE 2.58Å; D78-R87 VanDerWaalsContact OD2-NE 3.15Å; D78-R87 IonicContact OD2-NH2 2.89Å; D78-R87 PolarHBondContact OD2-NH2 2.87Å; T83-R87 PolarHBondContact O-N 3.05Å; P84-R87 PolarHBondContact O-N 2.91Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-E90 WeakPolarHBondContact CD-OE2 3.36Å; R87-E90 IonicContact CZ-OE2 3.7Å; R87-E90 IonicContact NH1-OE1 3.79Å; R87-E90 IonicContact NH1-OE2 3.14Å; R87-E90 PolarHBondContact NH1-OE2 3.46Å; R87-L91 PolarHBondContact O-N 2.9Å
88A94.6Very high93.4Very high0 Ų032.7 Ų32.70%015%0.151CC..Hα-helixtrans-63.4-39.5171.200000111.7P84 T85 G92 H93 S96 M97P84-A88 WeakPolarHBondContact O-CB 3.44Å; P84-A88 PolarHBondContact O-N 2.85Å; T85-A88 PolarHBondContact O-N 3.06Å; A88-G92 PolarHBondContact O-N 2.93Å; A88-H93 HydrophobicContact CB-CB 4.3Å; A88-H93 PolarHBondContact O-N 3.33Å; A88-S96 WeakPolarHBondContact CB-OG 3.44Å; A88-M97 HydrophobicContact CB-CB 4.41Å
89A94.4Very high93.5Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-62.2-48.2176.800000112.2T85 M86 R87 L91 G92 M97 V117 H128T85-A89 WeakPolarHBondContact O-CB 3.29Å; T85-A89 PolarHBondContact O-N 2.97Å; M86-A89 VanDerWaalsContact O-CB 3.28Å; M86-A89 WeakPolarHBondContact O-CB 3.28Å; M86-A89 PolarHBondContact O-N 3Å; M86-A89 VanDerWaalsContact O-N 3.15Å; R87-A89 VanDerWaalsContact C-N 3.32Å; A89-L91 PolarHBondContact O-N 3.4Å; A89-G92 PolarHBondContact O-N 2.85Å; A89-M97 HydrophobicContact CB-CE 3.26Å; A89-V117 HydrophobicContact CB-CG1 4.02Å; A89-H128 PolarHBondContact O-CD2 3.07Å; A89-H128 PolarHBondContact O-NE2 3.19Å; A89-H128 VanDerWaalsContact O-NE2 3.14Å
90E93.8Very high93.7Very high78 Ų7826.9 Ų26.936%0.36413%0.131SC..Hα-helixtrans-57-32-178.8-175.9179.3-168.100112.9M86 R87 Y120 H128M86-E90 WeakPolarHBondContact O-CB 3.1Å; M86-E90 PolarHBondContact O-N 3.3Å; R87-E90 WeakPolarHBondContact CD-OE2 3.36Å; R87-E90 IonicContact CZ-OE2 3.7Å; R87-E90 IonicContact NH1-OE1 3.79Å; R87-E90 IonicContact NH1-OE2 3.14Å; R87-E90 PolarHBondContact NH1-OE2 3.46Å; E90-Y120 HydrophobicContact CB-CD1 4.05Å; E90-Y120 HydrophobicContact CB-CG 4.49Å; E90-Y120 HydrophobicContact CG-CD1 4.24Å; E90-H128 PolarHBondContact O-NE2 3.17Å
91L93.6Very high93.9Very high71 Ų7122 Ų2237%0.37211%0.108SC..THydrogen-bonded Turntrans-100.21.9179.3-56.9174.6000113.2V57 R87 A89 H93V57-L91 HydrophobicContact CB-CD1 4.26Å; V57-L91 HydrophobicContact CG1-CD1 4.02Å; V57-L91 HydrophobicContact CG2-CD1 4.36Å; R87-L91 PolarHBondContact O-N 2.9Å; A89-L91 PolarHBondContact O-N 3.4Å; L91-H93 VanDerWaalsContact CB-CE1 3.41Å; L91-H93 WeakPolarHBondContact CB-CE1 3.35Å; L91-H93 WeakPolarHBondContact CB-NE2 3.46Å; L91-H93 PolarHBondContact O-CE1 3.5Å; L91-H93 PolarHBondContact O-N 3.43Å; L91-H93 PolarHBondContact O-ND1 3.2Å
92G93.1Very high94Very high0 Ų028.4 Ų28.40%014%0.135CC..THydrogen-bonded Turntrans66.431.4-178.900000114.2A88 A89 E94 R127 H128A88-G92 PolarHBondContact O-N 2.93Å; A89-G92 PolarHBondContact O-N 2.85Å; G92-E94 VanDerWaalsContact C-N 3.33Å; G92-E94 PolarHBondContact O-N 3.07Å; G92-R127 WeakPolarHBondContact O-CB 3.48Å; G92-R127 PolarHBondContact O-NE 2.78Å; G92-R127 PolarHBondContact O-NH2 2.96Å; G92-H128 PolarHBondContact N-CE1 3.11Å; G92-H128 PolarHBondContact N-NE2 2.88Å
93H94.9Very high94Very high22 Ų2230.2 Ų30.210%0.10215%0.149CC..  trans-83.772.2-176.5-64-7.7000112.4S56 V57 N59 A88 L91 L95 S96 M97 R127S56-H93 PolarHBondContact O-CD2 3.48Å; V57-H93 PolarHBondContact O-NE2 2.85Å; N59-H93 WeakPolarHBondContact OD1-CB 3.12Å; A88-H93 HydrophobicContact CB-CB 4.3Å; A88-H93 PolarHBondContact O-N 3.33Å; L91-H93 VanDerWaalsContact CB-CE1 3.41Å; L91-H93 WeakPolarHBondContact CB-CE1 3.35Å; L91-H93 WeakPolarHBondContact CB-NE2 3.46Å; L91-H93 PolarHBondContact O-CE1 3.5Å; L91-H93 PolarHBondContact O-N 3.43Å; L91-H93 PolarHBondContact O-ND1 3.2Å; H93-L95 PolarHBondContact O-N 2.92Å; H93-S96 WeakPolarHBondContact CB-OG 3.19Å; H93-S96 PolarHBondContact O-N 3.38Å; H93-S96 PolarHBondContact O-OG 3.21Å; H93-M97 PolarHBondContact O-N 3.05Å; H93-R127 PolarHBondContact ND1-NH2 3.04Å
94E93.9Very high93.8Very high36 Ų3639 Ų3917%0.16819%0.188CC..Hα-helixtrans-52.7-44.9-173.767.6-169.2-145.200114.4G92 M97 E98 R130 I134G92-E94 VanDerWaalsContact C-N 3.33Å; G92-E94 PolarHBondContact O-N 3.07Å; E94-M97 PolarHBondContact O-N 3.48Å; E94-E98 WeakPolarHBondContact O-CB 3.1Å; E94-E98 PolarHBondContact O-N 3.41Å; E94-R130 HydrophobicContact CB-CB 4.36Å; E94-R130 IonicContact OE1-CZ 3.2Å; E94-R130 IonicContact OE1-NH1 3.61Å; E94-R130 PolarHBondContact OE1-NH1 3.18Å; E94-R130 WeakPolarHBondContact OE2-CD 3.47Å; E94-R130 IonicContact OE2-NH1 2.71Å; E94-I134 HydrophobicContact CB-CD1 4.27Å
95L93.6Very high93.7Very high81 Ų8139.3 Ų39.342%0.42419%0.19SC..Hα-helixtrans-69.2-40.2-177.5-63.1174.7000112I61 H93 M97 E98 I99I61-L95 HydrophobicContact CD1-CB 3.83Å; I61-L95 HydrophobicContact CD1-CD1 3.54Å; I61-L95 HydrophobicContact CD1-CG 4.34Å; I61-L95 HydrophobicContact CG1-CB 4.27Å; H93-L95 PolarHBondContact O-N 2.92Å; L95-M97 VanDerWaalsContact C-N 3.33Å; L95-E98 PolarHBondContact O-N 2.94Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 3.32Å; L95-I99 VanDerWaalsContact O-N 3.12Å
96S93.1Very high93.6Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-65.2-40.3176.1720000111.2A88 H93 I99 L100A88-S96 WeakPolarHBondContact CB-OG 3.44Å; H93-S96 WeakPolarHBondContact CB-OG 3.19Å; H93-S96 PolarHBondContact O-N 3.38Å; H93-S96 PolarHBondContact O-OG 3.21Å; S96-I99 PolarHBondContact O-N 3.34Å; S96-L100 VanDerWaalsContact O-CG 3.26Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 3.07Å; S96-L100 VanDerWaalsContact O-N 3.07Å
97M94.3Very high93.4Very high0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-64.9-40.8175.2-176.5-176.4-71.600111.6A88 A89 H93 E94 L95 I99 L100 A101 M107 V117 C131 I134A88-M97 HydrophobicContact CB-CB 4.41Å; A89-M97 HydrophobicContact CB-CE 3.26Å; H93-M97 PolarHBondContact O-N 3.05Å; E94-M97 PolarHBondContact O-N 3.48Å; L95-M97 VanDerWaalsContact C-N 3.33Å; M97-I99 VanDerWaalsContact C-N 3.33Å; M97-I99 PolarHBondContact O-N 3.48Å; M97-L100 PolarHBondContact O-N 3.49Å; M97-A101 VanDerWaalsContact O-CB 3.25Å; M97-A101 WeakPolarHBondContact O-CB 3.29Å; M97-A101 PolarHBondContact O-N 3.39Å; M97-M107 HydrophobicContact CG-CE 4.48Å; M97-V117 HydrophobicContact CE-CG1 4.35Å; M97-C131 HydrophobicContact CE-CB 3.72Å; M97-C131 HydrophobicContact SD-CB 3.75Å; M97-I134 HydrophobicContact CG-CG2 4.08Å; M97-I134 HydrophobicContact SD-CB 4.27Å; M97-I134 HydrophobicContact SD-CG2 4.21Å
98E94.1Very high93.3Very high71 Ų7143.9 Ų43.933%0.33222%0.221SC..Hα-helixtrans-61.7-40.8177.7-166.6-172.6158.400112E94 L95 A101 K102 I134E94-E98 WeakPolarHBondContact O-CB 3.1Å; E94-E98 PolarHBondContact O-N 3.41Å; L95-E98 PolarHBondContact O-N 2.94Å; E98-A101 PolarHBondContact O-N 3.16Å; E98-K102 WeakPolarHBondContact O-CB 3.45Å; E98-K102 VanDerWaalsContact O-CG 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.36Å; E98-K102 PolarHBondContact O-N 2.93Å; E98-K102 VanDerWaalsContact OE1-CE 3.31Å; E98-K102 WeakPolarHBondContact OE1-CE 3.42Å; E98-K102 IonicContact OE1-NZ 3.15Å; E98-K102 PolarHBondContact OE1-NZ 2.95Å; E98-I134 HydrophobicContact CB-CD1 4.25Å
99I94.7Very high93.3Very high41 Ų4145.4 Ų45.421%0.2123%0.229CC..Hα-helixtrans-66.3-44.8176.2-67.8175.1000111I61 V64 L68 L95 S96 M97 A101 K102 A103I61-I99 HydrophobicContact CB-CD1 4.49Å; I61-I99 HydrophobicContact CG2-CD1 3.28Å; V64-I99 HydrophobicContact CG1-CB 4.41Å; V64-I99 HydrophobicContact CG1-CG2 3.92Å; L68-I99 HydrophobicContact CD1-CG2 3.64Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 3.32Å; L95-I99 VanDerWaalsContact O-N 3.12Å; S96-I99 PolarHBondContact O-N 3.34Å; M97-I99 VanDerWaalsContact C-N 3.33Å; M97-I99 PolarHBondContact O-N 3.48Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 PolarHBondContact O-N 3.26Å; I99-K102 PolarHBondContact O-N 2.98Å; I99-A103 PolarHBondContact O-N 3.1Å
100L93.9Very high93.2Very high0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-62.3-41.1177-68.4167.5000111.6L52 V64 L68 P74 P84 T85 S96 M97 A103 K104 A105L52-L100 HydrophobicContact CD1-CD2 4.21Å; L52-L100 HydrophobicContact CD2-CD2 3.56Å; L52-L100 HydrophobicContact CG-CD2 3.97Å; V64-L100 HydrophobicContact CG1-CD2 4.01Å; V64-L100 HydrophobicContact CG1-CG 4.13Å; L68-L100 HydrophobicContact CD1-CD2 4.31Å; L68-L100 HydrophobicContact CD2-CD2 4.43Å; P74-L100 HydrophobicContact CB-CD2 4.33Å; P84-L100 HydrophobicContact CB-CD1 4.23Å; T85-L100 HydrophobicContact CG2-CB 3.54Å; T85-L100 HydrophobicContact CG2-CD1 3.74Å; T85-L100 HydrophobicContact CG2-CG 4.22Å; S96-L100 VanDerWaalsContact O-CG 3.26Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 3.07Å; S96-L100 VanDerWaalsContact O-N 3.07Å; M97-L100 PolarHBondContact O-N 3.49Å; L100-A103 CarbonylContact O-C 3.49Å; L100-A103 WeakPolarHBondContact O-CA 3.33Å; L100-A103 WeakPolarHBondContact O-CB 3.42Å; L100-A103 PolarHBondContact O-N 2.98Å; L100-A103 VanDerWaalsContact O-N 3.13Å; L100-K104 PolarHBondContact O-N 3.49Å; L100-A105 HydrophobicContact CB-CB 4.37Å; L100-A105 VanDerWaalsContact O-CB 3.25Å; L100-A105 WeakPolarHBondContact O-CB 3.48Å; L100-A105 PolarHBondContact O-N 3.25Å; L100-A105 VanDerWaalsContact O-N 3.15Å
101A92.6Very high93.2Very high5 Ų544.1 Ų44.14%0.04123%0.226CC..Hα-helixtrans-63.7-42.5176.400000111.7M97 E98 I99 A103 K104 M107 I134 H138M97-A101 VanDerWaalsContact O-CB 3.25Å; M97-A101 WeakPolarHBondContact O-CB 3.29Å; M97-A101 PolarHBondContact O-N 3.39Å; E98-A101 PolarHBondContact O-N 3.16Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 PolarHBondContact O-N 3.26Å; A101-A103 PolarHBondContact O-N 3.08Å; A101-K104 WeakPolarHBondContact O-CA 3.22Å; A101-K104 PolarHBondContact O-N 2.71Å; A101-M107 HydrophobicContact CB-CE 3.59Å; A101-I134 HydrophobicContact CB-CG2 4.11Å; A101-H138 HydrophobicContact CB-CB 4.4Å
102K92.9Very high93.2Very high138 Ų13845.5 Ų45.560%0.623%0.234SC*.Hα-helixtrans-61.9-31.1172.3-75.6172.9-174.6166.20112.8E98 I99 K104E98-K102 WeakPolarHBondContact O-CB 3.45Å; E98-K102 VanDerWaalsContact O-CG 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.36Å; E98-K102 PolarHBondContact O-N 2.93Å; E98-K102 VanDerWaalsContact OE1-CE 3.31Å; E98-K102 WeakPolarHBondContact OE1-CE 3.42Å; E98-K102 IonicContact OE1-NZ 3.15Å; E98-K102 PolarHBondContact OE1-NZ 2.95Å; I99-K102 PolarHBondContact O-N 2.98Å; K102-K104 PolarHBondContact O-N 3.06Å
103A92.8Very high93.1Very high40 Ų4050.7 Ų50.733%0.33126%0.258SS..THydrogen-bonded Turntrans-77.711.5173.200000113.9L68 I99 L100 A101L68-A103 HydrophobicContact CD1-CB 3.82Å; L68-A103 HydrophobicContact CD2-CB 3.89Å; L68-A103 HydrophobicContact CG-CB 4.39Å; I99-A103 PolarHBondContact O-N 3.1Å; L100-A103 CarbonylContact O-C 3.49Å; L100-A103 WeakPolarHBondContact O-CA 3.33Å; L100-A103 WeakPolarHBondContact O-CB 3.42Å; L100-A103 PolarHBondContact O-N 2.98Å; L100-A103 VanDerWaalsContact O-N 3.13Å; A101-A103 PolarHBondContact O-N 3.08Å
104K91.8Very high92.9Very high184 Ų18449.8 Ų49.880%0.825%0.254SS*.THydrogen-bonded Turntrans63.236.8179.3-54.5-179.5177.6179.40114L100 A101 K102 D106L100-K104 PolarHBondContact O-N 3.49Å; A101-K104 WeakPolarHBondContact O-CA 3.22Å; A101-K104 PolarHBondContact O-N 2.71Å; K102-K104 PolarHBondContact O-N 3.06Å; K104-D106 PolarHBondContact O-N 3.13Å
105A92Very high92.8Very high7 Ų751 Ų516%0.05826%0.26CS..  trans-56.8134.3167.200000110.9P74 D75 T85 L100 M107P74-A105 HydrophobicContact CB-CB 3.69Å; P74-A105 HydrophobicContact CG-CB 4.11Å; D75-A105 WeakPolarHBondContact OD1-CA 3.33Å; T85-A105 HydrophobicContact CG2-CB 3.64Å; L100-A105 HydrophobicContact CB-CB 4.37Å; L100-A105 VanDerWaalsContact O-CB 3.25Å; L100-A105 WeakPolarHBondContact O-CB 3.48Å; L100-A105 PolarHBondContact O-N 3.25Å; L100-A105 VanDerWaalsContact O-N 3.15Å; A105-M107 HydrophobicContact CB-CE 4.46Å; A105-M107 PolarHBondContact O-N 3.39Å
106D92.5Very high92.8Very high67 Ų6747.5 Ų47.536%0.35824%0.243SC..  trans-78.3114.1177.1-171.8-7.9000110.3D75 K104 T108 I109D75-D106 PolarHBondContact OD1-N 2.83Å; K104-D106 PolarHBondContact O-N 3.13Å; D106-T108 VanDerWaalsContact C-N 3.3Å; D106-T108 VanDerWaalsContact CG-OG1 3.31Å; D106-T108 WeakPolarHBondContact OD1-CB 3.48Å; D106-T108 PolarHBondContact OD1-N 2.99Å; D106-T108 PolarHBondContact OD1-OG1 3.37Å; D106-T108 PolarHBondContact OD2-OG1 2.89Å; D106-I109 HydrophobicContact CB-CD1 3.89Å; D106-I109 HydrophobicContact CB-CG1 4.07Å
107M91.2Very high92.8Very high4 Ų447.6 Ų47.62%0.0224%0.243CC..THydrogen-bonded Turntrans-85.2-1.3-178.9-60.6-63.9-176.800113.3T85 M97 A101 A105 V117 H138 A140T85-M107 HydrophobicContact CG2-CE 4.04Å; T85-M107 HydrophobicContact CG2-SD 4.3Å; M97-M107 HydrophobicContact CG-CE 4.48Å; A101-M107 HydrophobicContact CB-CE 3.59Å; A105-M107 HydrophobicContact CB-CE 4.46Å; A105-M107 PolarHBondContact O-N 3.39Å; M107-V117 HydrophobicContact SD-CG1 4.46Å; M107-V117 HydrophobicContact SD-CG2 4.19Å; M107-H138 HydrophobicContact CG-CB 4.14Å; M107-A140 HydrophobicContact CB-CB 3.93Å
108T92.1Very high92.8Very high76 Ų7647.7 Ų47.747%0.46624%0.244SC..THydrogen-bonded Turntrans-92.3-11.2-179.370.20000113.6D106D106-T108 VanDerWaalsContact C-N 3.3Å; D106-T108 VanDerWaalsContact CG-OG1 3.31Å; D106-T108 WeakPolarHBondContact OD1-CB 3.48Å; D106-T108 PolarHBondContact OD1-N 2.99Å; D106-T108 PolarHBondContact OD1-OG1 3.37Å; D106-T108 PolarHBondContact OD2-OG1 2.89Å
109I93.1Very high92.8Very high32 Ų3245.5 Ų45.516%0.16423%0.233CC..  trans-60143.5177.7-64173.9000109.9D75 Q77 T83 M86 D106D75-I109 HydrophobicContact CB-CD1 3.57Å; Q77-I109 HydrophobicContact CG-CG2 4.36Å; T83-I109 HydrophobicContact CG2-CB 4.23Å; T83-I109 HydrophobicContact CG2-CD1 4.12Å; T83-I109 HydrophobicContact CG2-CG2 3.79Å; M86-I109 HydrophobicContact CE-CB 4.46Å; M86-I109 HydrophobicContact CE-CG2 4.28Å; M86-I109 WeakPolarHBondContact CE-O 3.45Å; D106-I109 HydrophobicContact CB-CD1 3.89Å; D106-I109 HydrophobicContact CB-CG1 4.07Å
110V94.1Very high92.7Very high41 Ų4145.2 Ų45.225%0.24823%0.23CC..BIsolated β-bridgetrans-118.6151.6178-62.80000111.1Q77 K115 N144Q77-V110 PolarHBondContact NE2-O 3Å; V110-K115 WeakPolarHBondContact CA-O 3.34Å; V110-N144 WeakPolarHBondContact CG1-ND2 3.29Å
111D93.8Very high92.7Very high10 Ų1045.2 Ų45.25%0.05323%0.23CC..  trans-76.7-176.5173.379.9-7.4000112.5M86 E113 G114 K115 Y120M86-D111 HydrophobicContact SD-CB 4.48Å; D111-E113 PolarHBondContact O-N 3.05Å; D111-E113 WeakPolarHBondContact OD1-CA 3.42Å; D111-E113 WeakPolarHBondContact OD1-CB 3.4Å; D111-E113 PolarHBondContact OD1-N 3.09Å; D111-G114 PolarHBondContact O-N 3.27Å; D111-G114 PolarHBondContact OD1-N 3.21Å; D111-K115 PolarHBondContact N-O 3.41Å; D111-K115 WeakPolarHBondContact OD1-CB 3.41Å; D111-K115 PolarHBondContact OD1-N 2.89Å; D111-Y120 PolarHBondContact OD2-OH 3.07Å
112N92.3Very high92.5Very high100 Ų10045.5 Ų45.554%0.53523%0.23SC..THydrogen-bonded Turntrans-65-15.6178.1-68.8-11.5000114.2R79 M80 Y147R79-N112 PolarHBondContact O-ND2 3.13Å; M80-N112 VanDerWaalsContact C-CG 3.4Å; M80-N112 VanDerWaalsContact C-ND2 3.32Å; M80-N112 WeakPolarHBondContact CA-ND2 3.47Å; M80-N112 WeakPolarHBondContact O-CB 3.27Å; M80-N112 PolarHBondContact O-N 2.91Å; M80-N112 PolarHBondContact O-ND2 3.34Å; M80-N112 PolarHBondContact O-OD1 3.23Å; N112-Y147 WeakPolarHBondContact O-CD2 3.47Å; N112-Y147 VanDerWaalsContact O-CE2 3.25Å; N112-Y147 WeakPolarHBondContact O-CE2 3.29Å
113E90.4Very high92.3Very high110 Ų11042.6 Ų42.651%0.51422%0.221SC..THydrogen-bonded Turntrans-98.3-2.9176-61.9-178.7179.900112.2D111 K115 T146 Y147D111-E113 PolarHBondContact O-N 3.05Å; D111-E113 WeakPolarHBondContact OD1-CA 3.42Å; D111-E113 WeakPolarHBondContact OD1-CB 3.4Å; D111-E113 PolarHBondContact OD1-N 3.09Å; E113-K115 HydrophobicContact CB-CD 4.36Å; E113-K115 HydrophobicContact CB-CG 4.35Å; E113-K115 WeakPolarHBondContact OE2-CE 3.37Å; E113-K115 IonicContact OE2-NZ 2.62Å; E113-K115 PolarHBondContact OE2-NZ 2.96Å; E113-T146 WeakPolarHBondContact O-CB 3.28Å; E113-Y147 WeakPolarHBondContact O-CD2 3.39Å; E113-Y147 PolarHBondContact O-N 3.46Å
114G91.6Very high92.1Very high2 Ų244.6 Ų44.62%0.02123%0.231CC..SBendtrans84.414.5-177.500000113.6D111 N144D111-G114 PolarHBondContact O-N 3.27Å; D111-G114 PolarHBondContact OD1-N 3.21Å; G114-N144 PolarHBondContact O-OD1 3.47Å
115K92.1Very high92Very high63 Ų6338.9 Ų38.927%0.27421%0.211SC..  trans-82.2121.6177.6-63.6169.3174.5166.60110.5V110 D111 E113 F119 Y120 T146V110-K115 WeakPolarHBondContact CA-O 3.34Å; D111-K115 PolarHBondContact N-O 3.41Å; D111-K115 WeakPolarHBondContact OD1-CB 3.41Å; D111-K115 PolarHBondContact OD1-N 2.89Å; E113-K115 HydrophobicContact CB-CD 4.36Å; E113-K115 HydrophobicContact CB-CG 4.35Å; E113-K115 WeakPolarHBondContact OE2-CE 3.37Å; E113-K115 IonicContact OE2-NZ 2.62Å; E113-K115 PolarHBondContact OE2-NZ 2.96Å; K115-F119 HydrophobicContact CB-CB 3.99Å; K115-F119 HydrophobicContact CB-CD2 3.94Å; K115-F119 HydrophobicContact CB-CG 3.97Å; K115-F119 HydrophobicContact CG-CB 4.31Å; K115-F119 HydrophobicContact CG-CD1 4.28Å; K115-F119 HydrophobicContact CG-CD2 4.27Å; K115-F119 HydrophobicContact CG-CG 4.04Å; K115-Y120 HydrophobicContact CB-CE2 4.42Å; K115-T146 HydrophobicContact CG-CG2 3.74Å
116G93.4Very high92Very high7 Ų747.1 Ų47.17%0.07225%0.245CC..BIsolated β-bridgetrans-76.6173.6166.700000113.5L118 F119 N144G116-L118 PolarHBondContact O-N 3.18Å; G116-L118 VanDerWaalsContact O-N 3.13Å; G116-F119 WeakPolarHBondContact O-CB 3.33Å; G116-F119 PolarHBondContact O-N 3.3Å; G116-N144 PolarHBondContact N-OD1 2.96Å
117V94.1Very high92Very high1 Ų148.9 Ų48.91%0.00625%0.247CC..G310 helixtrans-52.7-39.2-177.6-1780000112.9M86 A89 M97 M107 F119 Y120 A135M86-V117 HydrophobicContact CE-CG2 4.11Å; M86-V117 HydrophobicContact CG-CB 4.35Å; M86-V117 HydrophobicContact CG-CG2 3.76Å; A89-V117 HydrophobicContact CB-CG1 4.02Å; M97-V117 HydrophobicContact CE-CG1 4.35Å; M107-V117 HydrophobicContact SD-CG1 4.46Å; M107-V117 HydrophobicContact SD-CG2 4.19Å; V117-F119 PolarHBondContact O-N 2.94Å; V117-Y120 PolarHBondContact O-N 2.82Å; V117-Y120 VanDerWaalsContact O-N 3.12Å; V117-A135 HydrophobicContact CG1-CB 4.43Å
118L94Very high92Very high3 Ų349.3 Ų49.32%0.01625%0.249CC..G310 helixtrans-63.7-25.5-176.6-66.9175.6000113.2G116 Y120 C121 A135 L136 A140 I152 F170G116-L118 PolarHBondContact O-N 3.18Å; G116-L118 VanDerWaalsContact O-N 3.13Å; L118-Y120 PolarHBondContact O-N 3.21Å; L118-C121 WeakPolarHBondContact O-CB 3.35Å; L118-C121 PolarHBondContact O-N 3.33Å; L118-A135 HydrophobicContact CD2-CB 3.64Å; L118-L136 HydrophobicContact CD1-CD2 3.74Å; L118-L136 HydrophobicContact CD1-CG 4.48Å; L118-L136 HydrophobicContact CD2-CD2 4.19Å; L118-L136 HydrophobicContact CD2-CG 4.03Å; L118-A140 HydrophobicContact CD1-CB 3.86Å; L118-A140 HydrophobicContact CD2-CB 4.14Å; L118-A140 HydrophobicContact CG-CB 3.79Å; L118-I152 HydrophobicContact CB-CD1 3.05Å; L118-I152 HydrophobicContact CD1-CD1 4.25Å; L118-I152 HydrophobicContact CG-CD1 4.27Å; L118-F170 HydrophobicContact CB-CZ 4.25Å; L118-F170 HydrophobicContact CD1-CE1 4.32Å; L118-F170 HydrophobicContact CD1-CZ 4.5Å; L118-F170 HydrophobicContact CD2-CE1 4.11Å; L118-F170 HydrophobicContact CD2-CZ 4.37Å
119F93.9Very high92.1Very high24 Ų2449.4 Ų49.411%0.10524%0.242CC..G310 helixtrans-61.8-34176.1-86.7-88.1000111.9K115 G116 V117 C121 N144 T146 I152 R155K115-F119 HydrophobicContact CB-CB 3.99Å; K115-F119 HydrophobicContact CB-CD2 3.94Å; K115-F119 HydrophobicContact CB-CG 3.97Å; K115-F119 HydrophobicContact CG-CB 4.31Å; K115-F119 HydrophobicContact CG-CD1 4.28Å; K115-F119 HydrophobicContact CG-CD2 4.27Å; K115-F119 HydrophobicContact CG-CG 4.04Å; G116-F119 WeakPolarHBondContact O-CB 3.33Å; G116-F119 PolarHBondContact O-N 3.3Å; V117-F119 PolarHBondContact O-N 2.94Å; F119-C121 VanDerWaalsContact C-N 3.27Å; F119-C121 PolarHBondContact O-N 3.47Å; F119-N144 VanDerWaalsContact CE2-OD1 3.23Å; F119-N144 WeakPolarHBondContact CE2-OD1 3.2Å; F119-T146 HydrophobicContact CE1-CG2 3.83Å; F119-T146 HydrophobicContact CE2-CG2 4.27Å; F119-T146 HydrophobicContact CZ-CG2 3.65Å; F119-I152 HydrophobicContact CD1-CG1 4.35Å; F119-I152 HydrophobicContact CD2-CB 4.16Å; F119-I152 HydrophobicContact CD2-CD1 3.96Å; F119-I152 HydrophobicContact CD2-CG1 4.08Å; F119-I152 HydrophobicContact CE1-CB 4.24Å; F119-I152 HydrophobicContact CE1-CG1 4.32Å; F119-I152 HydrophobicContact CE2-CB 3.62Å; F119-I152 HydrophobicContact CE2-CD1 4.29Å; F119-I152 HydrophobicContact CE2-CG1 4.04Å; F119-I152 HydrophobicContact CG-CD1 4.26Å; F119-I152 HydrophobicContact CG-CG1 4.24Å; F119-I152 HydrophobicContact CZ-CB 3.67Å; F119-I152 HydrophobicContact CZ-CG1 4.17Å; F119-R155 HydrophobicContact CD1-CG 4.31Å; F119-R155 HydrophobicContact CE1-CB 4.05Å; F119-R155 HydrophobicContact CE1-CG 4.24Å
120Y92.9Very high92.1Very high36 Ų3654.4 Ų54.414%0.14126%0.258CS..G310 helixtrans-79-12177.6-59.8-81.6000112.8C82 M86 E90 D111 K115 V117 L118 H128C82-Y120 PolarHBondContact SG-OH 3.29Å; M86-Y120 HydrophobicContact CB-CD2 4.01Å; M86-Y120 HydrophobicContact CB-CE2 4.01Å; M86-Y120 HydrophobicContact CG-CD2 4.11Å; M86-Y120 HydrophobicContact CG-CE2 4.03Å; M86-Y120 HydrophobicContact SD-CE2 3.94Å; E90-Y120 HydrophobicContact CB-CD1 4.05Å; E90-Y120 HydrophobicContact CB-CG 4.49Å; E90-Y120 HydrophobicContact CG-CD1 4.24Å; D111-Y120 PolarHBondContact OD2-OH 3.07Å; K115-Y120 HydrophobicContact CB-CE2 4.42Å; V117-Y120 PolarHBondContact O-N 2.82Å; V117-Y120 VanDerWaalsContact O-N 3.12Å; L118-Y120 PolarHBondContact O-N 3.21Å; Y120-H128 PolarHBondContact O-CD2 2.94Å
121C92.5Very high92.1Very high0 Ų052.5 Ų52.50%025%0.247CC..G310 helixtrans-87.8-4.6175.8-61.30000113.5L118 F119 L123 H128 A132L118-C121 WeakPolarHBondContact O-CB 3.35Å; L118-C121 PolarHBondContact O-N 3.33Å; F119-C121 VanDerWaalsContact C-N 3.27Å; F119-C121 PolarHBondContact O-N 3.47Å; C121-L123 VanDerWaalsContact C-N 3.26Å; C121-L123 PolarHBondContact O-N 3.31Å; C121-H128 WeakPolarHBondContact O-CB 3.48Å; C121-A132 HydrophobicContact CB-CB 3.89Å
122I89.3Confident92.1Very high10 Ų1052.1 Ų52.15%0.05125%0.245CC..  trans-8469.8-178.5-53.1172000109.5I152 R155 A156 V163I122-I152 HydrophobicContact CD1-CD1 4.29Å; I122-I152 HydrophobicContact CD1-CG1 3.74Å; I122-R155 HydrophobicContact CD1-CB 4.24Å; I122-R155 HydrophobicContact CD1-CG 3.99Å; I122-A156 HydrophobicContact CD1-CB 4.01Å; I122-A156 HydrophobicContact CG1-CB 4.38Å; I122-A156 HydrophobicContact CG2-CB 4.25Å; I122-V163 HydrophobicContact CG2-CG1 4.15Å; I122-V163 HydrophobicContact CG2-CG2 4.46Å
123L89.6Confident92.2Very high78 Ų7849.5 Ų49.541%0.40823%0.231SC..SBendtrans-135.7148.4173.5-76.8173000110.4C121 T125 H128C121-L123 VanDerWaalsContact C-N 3.26Å; C121-L123 PolarHBondContact O-N 3.31Å; L123-T125 PolarHBondContact O-N 2.89Å; L123-H128 HydrophobicContact CB-CB 4.19Å; L123-H128 WeakPolarHBondContact CD1-NE2 3.29Å
124P88.3Confident92.4Very high82 Ų8245.2 Ų45.253%0.53221%0.211SC..SBendtrans-81.250.5-167.636.2-40.2000113.2D162 V163P124-D162 HydrophobicContact CB-CB 3.48Å; P124-D162 VanDerWaalsContact CB-CB 3.48Å; P124-D162 HydrophobicContact CG-CB 4.4Å; P124-V163 HydrophobicContact CB-CG2 4.34Å
125T90.1Very high92.5Very high63 Ų6345.1 Ų45.139%0.38721%0.21SC..SBendtrans-131.3150.7-179.374.50000111.1L123 R127 H128 Y129L123-T125 PolarHBondContact O-N 2.89Å; T125-R127 PolarHBondContact O-N 3.07Å; T125-H128 PolarHBondContact O-N 3.28Å; T125-H128 WeakPolarHBondContact OG1-CB 3.24Å; T125-H128 PolarHBondContact OG1-N 2.92Å; T125-H128 PolarHBondContact OG1-ND1 3.11Å; T125-Y129 PolarHBondContact O-N 2.98Å; T125-Y129 VanDerWaalsContact O-N 3.11Å
126K90.3Very high92.6Very high180 Ų18042.9 Ų42.978%0.78320%0.201SC*.Hα-helixtrans-61.8-30177.7-63.5-176.2179.3-178.40113.2R130K126-R130 WeakPolarHBondContact O-CG 3.28Å; K126-R130 PolarHBondContact O-N 3.29Å; K126-R130 VanDerWaalsContact O-N 3.12Å
127R92.9Very high92.5Very high105 Ų10548.9 Ų48.940%0.39623%0.227SC..Hα-helixtrans-67.9-44.9178.1-67.2179.167179.75.3111.4G92 H93 T125 R130 C131G92-R127 WeakPolarHBondContact O-CB 3.48Å; G92-R127 PolarHBondContact O-NE 2.78Å; G92-R127 PolarHBondContact O-NH2 2.96Å; H93-R127 PolarHBondContact ND1-NH2 3.04Å; T125-R127 PolarHBondContact O-N 3.07Å; R127-R130 WeakPolarHBondContact O-CB 3.39Å; R127-R130 PolarHBondContact O-N 3.16Å; R127-C131 PolarHBondContact O-N 3.29Å; R127-C131 PolarHBondContact O-SG 3.44Å
128H92.6Very high92.4Very high13 Ų1352.5 Ų52.56%0.0624%0.244CC..Hα-helixtrans-69-34.6177.6-70.484.4000111.8A89 E90 G92 Y120 C121 L123 T125 R130 C131 A132A89-H128 PolarHBondContact O-CD2 3.07Å; A89-H128 PolarHBondContact O-NE2 3.19Å; A89-H128 VanDerWaalsContact O-NE2 3.14Å; E90-H128 PolarHBondContact O-NE2 3.17Å; G92-H128 PolarHBondContact N-CE1 3.11Å; G92-H128 PolarHBondContact N-NE2 2.88Å; Y120-H128 PolarHBondContact O-CD2 2.94Å; C121-H128 WeakPolarHBondContact O-CB 3.48Å; L123-H128 HydrophobicContact CB-CB 4.19Å; L123-H128 WeakPolarHBondContact CD1-NE2 3.29Å; T125-H128 PolarHBondContact O-N 3.28Å; T125-H128 WeakPolarHBondContact OG1-CB 3.24Å; T125-H128 PolarHBondContact OG1-N 2.92Å; T125-H128 PolarHBondContact OG1-ND1 3.11Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 PolarHBondContact O-N 2.63Å; H128-C131 WeakPolarHBondContact O-CB 3.32Å; H128-C131 PolarHBondContact O-N 3.02Å; H128-A132 PolarHBondContact O-N 3.02Å
129Y93.1Very high92.2Very high78 Ų7854.6 Ų54.631%0.30627%0.267SS..Hα-helixtrans-58-44.5168.9174.4-98000112.4T125 A132 L133 D165 V166 V169T125-Y129 PolarHBondContact O-N 2.98Å; T125-Y129 VanDerWaalsContact O-N 3.11Å; Y129-A132 WeakPolarHBondContact O-CB 3.35Å; Y129-A132 PolarHBondContact O-N 3.02Å; Y129-L133 HydrophobicContact CD1-CD1 3.94Å; Y129-L133 HydrophobicContact CE1-CD1 3.36Å; Y129-L133 HydrophobicContact CE1-CG 4.23Å; Y129-L133 PolarHBondContact O-N 2.59Å; Y129-D165 HydrophobicContact CD2-CB 3.94Å; Y129-D165 HydrophobicContact CE2-CB 3.71Å; Y129-V166 HydrophobicContact CD2-CG2 3.75Å; Y129-V166 HydrophobicContact CG-CG2 4.49Å; Y129-V169 HydrophobicContact CE2-CG2 3.75Å
130R93.9Very high92.2Very high137 Ų13753.9 Ų53.952%0.51727%0.265SS..Hα-helixtrans-65.2-40.3174.4-73.4172.6172.8-173.6-0112.4E94 K126 R127 H128 A132 L133 I134E94-R130 HydrophobicContact CB-CB 4.36Å; E94-R130 IonicContact OE1-CZ 3.2Å; E94-R130 IonicContact OE1-NH1 3.61Å; E94-R130 PolarHBondContact OE1-NH1 3.18Å; E94-R130 WeakPolarHBondContact OE2-CD 3.47Å; E94-R130 IonicContact OE2-NH1 2.71Å; K126-R130 WeakPolarHBondContact O-CG 3.28Å; K126-R130 PolarHBondContact O-N 3.29Å; K126-R130 VanDerWaalsContact O-N 3.12Å; R127-R130 WeakPolarHBondContact O-CB 3.39Å; R127-R130 PolarHBondContact O-N 3.16Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 PolarHBondContact O-N 2.63Å; R130-A132 VanDerWaalsContact C-N 3.32Å; R130-A132 PolarHBondContact O-N 3.05Å; R130-L133 WeakPolarHBondContact O-CB 3.43Å; R130-L133 PolarHBondContact O-N 3.29Å; R130-I134 VanDerWaalsContact O-CG1 3.3Å; R130-I134 WeakPolarHBondContact O-CG1 3.49Å; R130-I134 PolarHBondContact O-N 3.19Å
131C94Very high92.2Very high0 Ų055.8 Ų55.80%028%0.277CS..Hα-helixtrans-60.6-42.3174.6-64.80000111.5M97 R127 H128 L133 I134 A135M97-C131 HydrophobicContact CE-CB 3.72Å; M97-C131 HydrophobicContact SD-CB 3.75Å; R127-C131 PolarHBondContact O-N 3.29Å; R127-C131 PolarHBondContact O-SG 3.44Å; H128-C131 WeakPolarHBondContact O-CB 3.32Å; H128-C131 PolarHBondContact O-N 3.02Å; C131-L133 PolarHBondContact O-N 2.85Å; C131-I134 PolarHBondContact O-N 3.42Å; C131-A135 WeakPolarHBondContact O-CB 3.33Å; C131-A135 PolarHBondContact O-N 3.22Å
132A93.7Very high92.2Very high2 Ų256.4 Ų56.42%0.01728%0.281CS..Hα-helixtrans-60.3-45174.100000111.7C121 H128 Y129 R130 A135 L136 V166 F170C121-A132 HydrophobicContact CB-CB 3.89Å; H128-A132 PolarHBondContact O-N 3.02Å; Y129-A132 WeakPolarHBondContact O-CB 3.35Å; Y129-A132 PolarHBondContact O-N 3.02Å; R130-A132 VanDerWaalsContact C-N 3.32Å; R130-A132 PolarHBondContact O-N 3.05Å; A132-A135 PolarHBondContact O-N 3.16Å; A132-L136 WeakPolarHBondContact O-CB 3.46Å; A132-L136 WeakPolarHBondContact O-CD1 3.47Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 3.17Å; A132-V166 HydrophobicContact CB-CG1 4.24Å; A132-F170 HydrophobicContact CB-CE1 4.34Å
133L94.2Very high92.3Very high46 Ų4659.4 Ų59.424%0.24130%0.297CS..Hα-helixtrans-59.7-48.8175.9-74.2170.7000112.2Y129 R130 C131 A135 L136 E137 V169Y129-L133 HydrophobicContact CD1-CD1 3.94Å; Y129-L133 HydrophobicContact CE1-CD1 3.36Å; Y129-L133 HydrophobicContact CE1-CG 4.23Å; Y129-L133 PolarHBondContact O-N 2.59Å; R130-L133 WeakPolarHBondContact O-CB 3.43Å; R130-L133 PolarHBondContact O-N 3.29Å; C131-L133 PolarHBondContact O-N 2.85Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.32Å; L133-L136 PolarHBondContact O-N 3.31Å; L133-E137 WeakPolarHBondContact O-CG 3.36Å; L133-E137 PolarHBondContact O-N 3.11Å; L133-V169 HydrophobicContact CD2-CG1 3.76Å; L133-V169 HydrophobicContact CD2-CG2 4.23Å
134I93.8Very high92.4Very high20 Ų2056.7 Ų56.710%0.10328%0.283CS..Hα-helixtrans-58.7-46.6179-67.2163.4000110.3E94 M97 E98 A101 R130 C131 L136 E137 H138E94-I134 HydrophobicContact CB-CD1 4.27Å; M97-I134 HydrophobicContact CG-CG2 4.08Å; M97-I134 HydrophobicContact SD-CB 4.27Å; M97-I134 HydrophobicContact SD-CG2 4.21Å; E98-I134 HydrophobicContact CB-CD1 4.25Å; A101-I134 HydrophobicContact CB-CG2 4.11Å; R130-I134 VanDerWaalsContact O-CG1 3.3Å; R130-I134 WeakPolarHBondContact O-CG1 3.49Å; R130-I134 PolarHBondContact O-N 3.19Å; C131-I134 PolarHBondContact O-N 3.42Å; I134-L136 PolarHBondContact O-N 2.95Å; I134-E137 PolarHBondContact O-N 2.92Å; I134-H138 PolarHBondContact O-N 3.28Å; I134-H138 PolarHBondContact O-ND1 3.03Å
135A94.3Very high92.6Very high0 Ų055.7 Ų55.70%028%0.278CS..Hα-helixtrans-61.4-43.6178.800000111.9V117 L118 C131 A132 L133 H138 G139 A140V117-A135 HydrophobicContact CG1-CB 4.43Å; L118-A135 HydrophobicContact CD2-CB 3.64Å; C131-A135 WeakPolarHBondContact O-CB 3.33Å; C131-A135 PolarHBondContact O-N 3.22Å; A132-A135 PolarHBondContact O-N 3.16Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.32Å; A135-H138 CarbonylContact O-C 3.56Å; A135-H138 PolarHBondContact O-N 3.42Å; A135-G139 PolarHBondContact O-N 3.44Å; A135-A140 HydrophobicContact CB-CB 3.97Å; A135-A140 WeakPolarHBondContact O-CB 3.29Å; A135-A140 PolarHBondContact O-N 2.94Å
136L93.3Very high92.7Very high16 Ų1653.2 Ų53.28%0.08426%0.263CS..Hα-helixtrans-67.4-36.1178.3-68.2166.1000113L118 A132 L133 I134 H138 G139 V142 V169 F170 K173L118-L136 HydrophobicContact CD1-CD2 3.74Å; L118-L136 HydrophobicContact CD1-CG 4.48Å; L118-L136 HydrophobicContact CD2-CD2 4.19Å; L118-L136 HydrophobicContact CD2-CG 4.03Å; A132-L136 WeakPolarHBondContact O-CB 3.46Å; A132-L136 WeakPolarHBondContact O-CD1 3.47Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 3.17Å; L133-L136 PolarHBondContact O-N 3.31Å; I134-L136 PolarHBondContact O-N 2.95Å; L136-H138 PolarHBondContact O-N 3.08Å; L136-G139 PolarHBondContact O-N 3.35Å; L136-V142 HydrophobicContact CD2-CB 4.39Å; L136-V142 HydrophobicContact CD2-CG1 4.36Å; L136-V142 HydrophobicContact CD2-CG2 3.36Å; L136-V169 HydrophobicContact CD1-CG1 3.48Å; L136-V169 VanDerWaalsContact CD1-CG1 3.48Å; L136-F170 HydrophobicContact CD1-CD1 3.83Å; L136-F170 HydrophobicContact CD1-CE1 3.93Å; L136-F170 HydrophobicContact CD2-CD1 4.42Å; L136-F170 HydrophobicContact CD2-CE1 4.49Å; L136-K173 HydrophobicContact CB-CG 4.34Å; L136-K173 HydrophobicContact CD1-CG 4.1Å; L136-K173 HydrophobicContact CD2-CB 4.27Å; L136-K173 HydrophobicContact CD2-CG 4.43Å
137E92.8Very high92.6Very high133 Ų13352.6 Ų52.662%0.62126%0.257SS*.Hα-helixtrans-65-30.6174.6-75.2175179.800112.3L133 I134L133-E137 WeakPolarHBondContact O-CG 3.36Å; L133-E137 PolarHBondContact O-N 3.11Å; I134-E137 PolarHBondContact O-N 2.92Å
138H92.2Very high92.3Very high76 Ų7655.2 Ų55.235%0.35227%0.274SS..THydrogen-bonded Turntrans-9922.3-179.7-64.179.6000113.3A101 M107 I134 A135 L136A101-H138 HydrophobicContact CB-CB 4.4Å; M107-H138 HydrophobicContact CG-CB 4.14Å; I134-H138 PolarHBondContact O-N 3.28Å; I134-H138 PolarHBondContact O-ND1 3.03Å; A135-H138 CarbonylContact O-C 3.56Å; A135-H138 PolarHBondContact O-N 3.42Å; L136-H138 PolarHBondContact O-N 3.08Å
139G89.4Confident92Very high48 Ų4855.4 Ų55.450%0.49528%0.279SS..THydrogen-bonded Turntrans8621.4167.700000116A135 L136A135-G139 PolarHBondContact O-N 3.44Å; L136-G139 PolarHBondContact O-N 3.35Å
140A93.7Very high91.9Very high8 Ų853.5 Ų53.57%0.06627%0.273CS..  trans-60.8138.4172.100000112.1M107 L118 A135 V142M107-A140 HydrophobicContact CB-CB 3.93Å; L118-A140 HydrophobicContact CD1-CB 3.86Å; L118-A140 HydrophobicContact CD2-CB 4.14Å; L118-A140 HydrophobicContact CG-CB 3.79Å; A135-A140 HydrophobicContact CB-CB 3.97Å; A135-A140 WeakPolarHBondContact O-CB 3.29Å; A135-A140 PolarHBondContact O-N 2.94Å; A140-V142 PolarHBondContact O-N 3.1Å
141D92.2Very high91.8Very high76 Ų7647.7 Ų47.741%0.40625%0.253SS..  trans-75.7112.1180179.916000112N143 N144D141-N143 VanDerWaalsContact C-N 3.25Å; D141-N143 PolarHBondContact O-N 2.86Å; D141-N143 PolarHBondContact OD1-N 2.95Å; D141-N144 HydrophobicContact CB-CB 4.27Å; D141-N144 WeakPolarHBondContact O-CB 3.3Å; D141-N144 PolarHBondContact O-N 3.39Å; D141-N144 PolarHBondContact OD2-N 3.44Å
142V92.1Very high91.8Very high13 Ų1347.7 Ų47.78%0.07925%0.253CS..THydrogen-bonded Turntrans-74.9-15.6-179.8-157.40000112.6L136 A140 I152 F170 K173 A175L136-V142 HydrophobicContact CD2-CB 4.39Å; L136-V142 HydrophobicContact CD2-CG1 4.36Å; L136-V142 HydrophobicContact CD2-CG2 3.36Å; A140-V142 PolarHBondContact O-N 3.1Å; V142-I152 WeakPolarHBondContact O-CG2 3.4Å; V142-F170 HydrophobicContact CG1-CB 3.8Å; V142-F170 HydrophobicContact CG1-CD1 4.16Å; V142-F170 HydrophobicContact CG1-CG 4Å; V142-K173 HydrophobicContact CG2-CB 4.08Å; V142-A175 HydrophobicContact CG1-CB 3.78Å
143N91.8Very high91.8Very high73 Ų7347.7 Ų47.739%0.3925%0.252SS..THydrogen-bonded Turntrans-106.913.2-179.9-66.4-59.3000112.6D141 G174 N176D141-N143 VanDerWaalsContact C-N 3.25Å; D141-N143 PolarHBondContact O-N 2.86Å; D141-N143 PolarHBondContact OD1-N 2.95Å; N143-G174 PolarHBondContact ND2-O 3.44Å; N143-G174 VanDerWaalsContact ND2-O 3.16Å; N143-N176 PolarHBondContact OD1-N 3Å
144N92.4Very high91.7Very high21 Ų2145.5 Ų45.511%0.11224%0.241CC..  trans-56.7139.4176.4-177.4-103.1000111.4V110 G114 G116 F119 D141 I152V110-N144 WeakPolarHBondContact CG1-ND2 3.29Å; G114-N144 PolarHBondContact O-OD1 3.47Å; G116-N144 PolarHBondContact N-OD1 2.96Å; F119-N144 VanDerWaalsContact CE2-OD1 3.23Å; F119-N144 WeakPolarHBondContact CE2-OD1 3.2Å; D141-N144 HydrophobicContact CB-CB 4.27Å; D141-N144 WeakPolarHBondContact O-CB 3.3Å; D141-N144 PolarHBondContact O-N 3.39Å; D141-N144 PolarHBondContact OD2-N 3.44Å; N144-I152 PolarHBondContact O-N 3.25Å
145S91.5Very high91.6Very high61 Ų6148.3 Ų48.343%0.42725%0.25SS..BIsolated β-bridgetrans-130.2140.918061.30000110.6K150S145-K150 WeakPolarHBondContact CA-O 3.29Å
146T92.8Very high91.5Very high12 Ų1248.3 Ų48.37%0.07425%0.25CS..  trans-64163.9172.865.40000111.4E113 K115 F119 E148 G149 K150E113-T146 WeakPolarHBondContact O-CB 3.28Å; K115-T146 HydrophobicContact CG-CG2 3.74Å; F119-T146 HydrophobicContact CE1-CG2 3.83Å; F119-T146 HydrophobicContact CE2-CG2 4.27Å; F119-T146 HydrophobicContact CZ-CG2 3.65Å; T146-E148 PolarHBondContact O-N 2.93Å; T146-G149 WeakPolarHBondContact O-CA 3.5Å; T146-G149 PolarHBondContact O-N 3.5Å; T146-K150 PolarHBondContact N-O 2.89Å; T146-K150 WeakPolarHBondContact OG1-CB 3.27Å; T146-K150 PolarHBondContact OG1-N 3.07Å
147Y88.9Confident91.4Very high167 Ų16747.6 Ų47.666%0.65525%0.246SC*.THydrogen-bonded Turntrans-62.7-21.4174.4-63.5-48.4000113.4N112 E113 G149N112-Y147 WeakPolarHBondContact O-CD2 3.47Å; N112-Y147 VanDerWaalsContact O-CE2 3.25Å; N112-Y147 WeakPolarHBondContact O-CE2 3.29Å; E113-Y147 WeakPolarHBondContact O-CD2 3.39Å; E113-Y147 PolarHBondContact O-N 3.46Å; Y147-G149 PolarHBondContact O-N 3.31Å
148E86.3Confident91.3Very high160 Ų16042.8 Ų42.875%0.74822%0.224SC*.THydrogen-bonded Turntrans-72.2-5.2169.8-59.4-176.4158.100113.1T146T146-E148 PolarHBondContact O-N 2.93Å
149G86.4Confident91.1Very high17 Ų1741.9 Ų41.918%0.17522%0.222CC..SBendtrans76.731.3-179.200000113.2T146 Y147 S182T146-G149 WeakPolarHBondContact O-CA 3.5Å; T146-G149 PolarHBondContact O-N 3.5Å; Y147-G149 PolarHBondContact O-N 3.31Å; G149-S182 PolarHBondContact O-N 3.17Å; G149-S182 VanDerWaalsContact O-N 3.12Å; G149-S182 PolarHBondContact O-OG 2.94Å; G149-S182 VanDerWaalsContact O-OG 3.1Å
150K90.1Very high90.9Very high38 Ų3839.6 Ų39.617%0.16520%0.198CC..  trans-99.9112.5174.8-172.8170.1176.3171.20110.1S145 T146 L154 E158S145-K150 WeakPolarHBondContact CA-O 3.29Å; T146-K150 PolarHBondContact N-O 2.89Å; T146-K150 WeakPolarHBondContact OG1-CB 3.27Å; T146-K150 PolarHBondContact OG1-N 3.07Å; K150-L154 HydrophobicContact CG-CD2 4.26Å; K150-E158 WeakPolarHBondContact CE-OE1 3.32Å; K150-E158 WeakPolarHBondContact CE-OE2 3.45Å; K150-E158 IonicContact NZ-OE1 2.99Å; K150-E158 PolarHBondContact NZ-OE1 3.42Å; K150-E158 IonicContact NZ-OE2 3.86Å; K150-E158 PolarHBondContact NZ-OE2 3.2Å
151P92.9Very high90.6Very high15 Ų1545.8 Ų45.810%0.09723%0.225CC..BIsolated β-bridgetrans-74.3147.7179.626.4-28.5000111.3F153 L154 R155 A179 I180P151-F153 VanDerWaalsContact C-N 3.34Å; P151-F153 PolarHBondContact O-N 3.14Å; P151-L154 HydrophobicContact CG-CB 3.79Å; P151-L154 HydrophobicContact CG-CD1 4.49Å; P151-L154 PolarHBondContact O-N 2.81Å; P151-R155 PolarHBondContact O-N 3.32Å; P151-R155 VanDerWaalsContact O-N 3.14Å; P151-A179 HydrophobicContact CB-CB 4.04Å; P151-A179 HydrophobicContact CG-CB 3.7Å; P151-I180 WeakPolarHBondContact CD-O 3.14Å
152I93.3Very high90.3Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-60-42.4-176.7-172.3172.5000113.2L118 F119 I122 V142 N144 L154 R155 A156 F170L118-I152 HydrophobicContact CB-CD1 3.05Å; L118-I152 HydrophobicContact CD1-CD1 4.25Å; L118-I152 HydrophobicContact CG-CD1 4.27Å; F119-I152 HydrophobicContact CD1-CG1 4.35Å; F119-I152 HydrophobicContact CD2-CB 4.16Å; F119-I152 HydrophobicContact CD2-CD1 3.96Å; F119-I152 HydrophobicContact CD2-CG1 4.08Å; F119-I152 HydrophobicContact CE1-CB 4.24Å; F119-I152 HydrophobicContact CE1-CG1 4.32Å; F119-I152 HydrophobicContact CE2-CB 3.62Å; F119-I152 HydrophobicContact CE2-CD1 4.29Å; F119-I152 HydrophobicContact CE2-CG1 4.04Å; F119-I152 HydrophobicContact CG-CD1 4.26Å; F119-I152 HydrophobicContact CG-CG1 4.24Å; F119-I152 HydrophobicContact CZ-CB 3.67Å; F119-I152 HydrophobicContact CZ-CG1 4.17Å; I122-I152 HydrophobicContact CD1-CD1 4.29Å; I122-I152 HydrophobicContact CD1-CG1 3.74Å; V142-I152 WeakPolarHBondContact O-CG2 3.4Å; N144-I152 PolarHBondContact O-N 3.25Å; I152-L154 PolarHBondContact O-N 3.45Å; I152-R155 WeakPolarHBondContact O-CB 3.38Å; I152-R155 PolarHBondContact O-N 3.07Å; I152-R155 VanDerWaalsContact O-N 3.09Å; I152-A156 PolarHBondContact O-N 3.5Å; I152-F170 HydrophobicContact CD1-CE2 4.13Å; I152-F170 HydrophobicContact CD1-CZ 4.22Å; I152-F170 HydrophobicContact CG1-CE2 4.16Å
153F93.1Very high90.2Very high1 Ų147 Ų470%0.00423%0.231CC..Hα-helixtrans-60.5-36.9-179.3-177.8-119.6000111.6P151 A156 C157 C167 F170 L171 A175 A188 L200 I204P151-F153 VanDerWaalsContact C-N 3.34Å; P151-F153 PolarHBondContact O-N 3.14Å; F153-A156 PolarHBondContact O-N 3.24Å; F153-C157 PolarHBondContact O-N 3.31Å; F153-C157 PolarHBondContact O-SG 3.1Å; F153-C167 HydrophobicContact CE2-CB 4.35Å; F153-F170 HydrophobicContact CD2-CB 3.98Å; F153-F170 HydrophobicContact CD2-CD2 4.33Å; F153-F170 HydrophobicContact CE2-CB 4.43Å; F153-L171 HydrophobicContact CE1-CD2 3.77Å; F153-L171 HydrophobicContact CE1-CG 4.39Å; F153-L171 HydrophobicContact CE2-CD1 4.21Å; F153-L171 HydrophobicContact CE2-CD2 3.87Å; F153-L171 HydrophobicContact CE2-CG 3.61Å; F153-L171 HydrophobicContact CZ-CD1 3.85Å; F153-L171 HydrophobicContact CZ-CD2 3.36Å; F153-L171 HydrophobicContact CZ-CG 3.49Å; F153-L171 VanDerWaalsContact CZ-CG 3.49Å; F153-A175 HydrophobicContact CB-CB 4.13Å; F153-A175 HydrophobicContact CD1-CB 4.41Å; F153-A175 HydrophobicContact CD2-CB 3.92Å; F153-A175 HydrophobicContact CG-CB 3.88Å; F153-A188 HydrophobicContact CD1-CB 3.54Å; F153-A188 HydrophobicContact CE1-CB 3.4Å; F153-A188 VanDerWaalsContact CE1-CB 3.4Å; F153-A188 HydrophobicContact CZ-CB 4.43Å; F153-L200 HydrophobicContact CZ-CD1 4.43Å; F153-I204 HydrophobicContact CE1-CD1 4.13Å; F153-I204 HydrophobicContact CE1-CG1 4.15Å; F153-I204 HydrophobicContact CZ-CD1 3.94Å; F153-I204 HydrophobicContact CZ-CG1 3.87Å
154L91.9Very high90.2Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-69.7-41.6175.4-173.8148.5000111.8K150 P151 I152 A156 C157 E158 N181 R186 E191K150-L154 HydrophobicContact CG-CD2 4.26Å; P151-L154 HydrophobicContact CG-CB 3.79Å; P151-L154 HydrophobicContact CG-CD1 4.49Å; P151-L154 PolarHBondContact O-N 2.81Å; I152-L154 PolarHBondContact O-N 3.45Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.41Å; L154-C157 PolarHBondContact O-N 2.81Å; L154-C157 VanDerWaalsContact O-N 3.12Å; L154-E158 HydrophobicContact CD2-CG 4.47Å; L154-E158 PolarHBondContact O-N 3.34Å; L154-E158 VanDerWaalsContact O-N 3.1Å; L154-N181 HydrophobicContact CD1-CB 3.67Å; L154-N181 HydrophobicContact CD2-CB 4.04Å; L154-R186 WeakPolarHBondContact CD1-O 3.03Å; L154-E191 HydrophobicContact CG-CG 4.48Å
155R91.7Very high90.1Very high80 Ų8050.1 Ų50.130%0.30225%0.245SC..Hα-helixtrans-57.8-41.8173.8179.866.2-172.392.312111.2F119 I122 P151 I152 E158 D159F119-R155 HydrophobicContact CD1-CG 4.31Å; F119-R155 HydrophobicContact CE1-CB 4.05Å; F119-R155 HydrophobicContact CE1-CG 4.24Å; I122-R155 HydrophobicContact CD1-CB 4.24Å; I122-R155 HydrophobicContact CD1-CG 3.99Å; P151-R155 PolarHBondContact O-N 3.32Å; P151-R155 VanDerWaalsContact O-N 3.14Å; I152-R155 WeakPolarHBondContact O-CB 3.38Å; I152-R155 PolarHBondContact O-N 3.07Å; I152-R155 VanDerWaalsContact O-N 3.09Å; R155-E158 WeakPolarHBondContact CD-OE2 3.49Å; R155-E158 IonicContact NE-OE2 3.39Å; R155-E158 IonicContact NH1-OE2 2.69Å; R155-E158 PolarHBondContact NH1-OE2 3.27Å; R155-E158 PolarHBondContact O-N 3.46Å; R155-D159 IonicContact CZ-OD2 3.72Å; R155-D159 IonicContact NH1-OD1 3.41Å; R155-D159 IonicContact NH1-OD2 3.56Å; R155-D159 PolarHBondContact NH1-OD2 3.26Å; R155-D159 IonicContact NH2-OD2 3.96Å; R155-D159 PolarHBondContact NH2-OD2 3.49Å
156A92.3Very high90.1Very high0 Ų047.5 Ų47.50%023%0.226CC..Hα-helixtrans-66-37.417600000112.2I122 I152 F153 L154 E158 D159 A160 C167 F170I122-A156 HydrophobicContact CD1-CB 4.01Å; I122-A156 HydrophobicContact CG1-CB 4.38Å; I122-A156 HydrophobicContact CG2-CB 4.25Å; I152-A156 PolarHBondContact O-N 3.5Å; F153-A156 PolarHBondContact O-N 3.24Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.41Å; A156-E158 VanDerWaalsContact C-N 3.3Å; A156-E158 PolarHBondContact O-N 2.77Å; A156-D159 CarbonylContact O-C 3.49Å; A156-D159 PolarHBondContact O-N 2.97Å; A156-A160 PolarHBondContact O-N 3.49Å; A156-C167 PolarHBondContact O-SG 3.05Å; A156-F170 HydrophobicContact CB-CD2 4.27Å; A156-F170 HydrophobicContact CB-CE2 4.13Å
157C91.3Very high90.1Very high0 Ų046.9 Ų46.90%022%0.222CC..Hα-helixtrans-68.4-23.6176.9-68.30000114F153 L154 D159 A160 E191F153-C157 PolarHBondContact O-N 3.31Å; F153-C157 PolarHBondContact O-SG 3.1Å; L154-C157 PolarHBondContact O-N 2.81Å; L154-C157 VanDerWaalsContact O-N 3.12Å; C157-D159 VanDerWaalsContact C-N 3.28Å; C157-A160 WeakPolarHBondContact O-CB 3.24Å; C157-A160 PolarHBondContact O-N 3.04Å; C157-E191 HydrophobicContact CB-CB 4.17Å
158E90.3Very high90.2Very high32 Ų3240.9 Ų40.915%0.1520%0.202CC..Hα-helixtrans-65.4-34.2173.5-71.2171.1168.200112K150 L154 R155 A156 E191 E195K150-E158 WeakPolarHBondContact CE-OE1 3.32Å; K150-E158 WeakPolarHBondContact CE-OE2 3.45Å; K150-E158 IonicContact NZ-OE1 2.99Å; K150-E158 PolarHBondContact NZ-OE1 3.42Å; K150-E158 IonicContact NZ-OE2 3.86Å; K150-E158 PolarHBondContact NZ-OE2 3.2Å; L154-E158 HydrophobicContact CD2-CG 4.47Å; L154-E158 PolarHBondContact O-N 3.34Å; L154-E158 VanDerWaalsContact O-N 3.1Å; R155-E158 WeakPolarHBondContact CD-OE2 3.49Å; R155-E158 IonicContact NE-OE2 3.39Å; R155-E158 IonicContact NH1-OE2 2.69Å; R155-E158 PolarHBondContact NH1-OE2 3.27Å; R155-E158 PolarHBondContact O-N 3.46Å; A156-E158 VanDerWaalsContact C-N 3.3Å; A156-E158 PolarHBondContact O-N 2.77Å; E158-E191 HydrophobicContact CG-CG 4.36Å; E158-E195 WeakPolarHBondContact O-CG 3.47Å
159D88.7Confident90.5Very high58 Ų5833.8 Ų33.831%0.3117%0.169SC..THydrogen-bonded Turntrans-10326.6178.4-60.6-29.5000111R155 A156 C157 H161 D162 V163R155-D159 IonicContact CZ-OD2 3.72Å; R155-D159 IonicContact NH1-OD1 3.41Å; R155-D159 IonicContact NH1-OD2 3.56Å; R155-D159 PolarHBondContact NH1-OD2 3.26Å; R155-D159 IonicContact NH2-OD2 3.96Å; R155-D159 PolarHBondContact NH2-OD2 3.49Å; A156-D159 CarbonylContact O-C 3.49Å; A156-D159 PolarHBondContact O-N 2.97Å; C157-D159 VanDerWaalsContact C-N 3.28Å; D159-H161 PolarHBondContact O-N 2.81Å; D159-D162 PolarHBondContact O-N 3.26Å; D159-D162 VanDerWaalsContact O-N 3.12Å; D159-V163 HydrophobicContact CB-CG2 4.32Å; D159-V163 PolarHBondContact O-N 3.47Å; D159-V163 VanDerWaalsContact O-N 3.15Å
160A86.1Confident90.9Very high0 Ų033 Ų330%016%0.16CC..THydrogen-bonded Turntrans-57.7-26.9-170.300000114.2A156 C157 D162 K164 E195 V197 L200A156-A160 PolarHBondContact O-N 3.49Å; C157-A160 WeakPolarHBondContact O-CB 3.24Å; C157-A160 PolarHBondContact O-N 3.04Å; A160-D162 VanDerWaalsContact C-N 3.3Å; A160-D162 PolarHBondContact O-N 3.33Å; A160-K164 PolarHBondContact O-N 3.48Å; A160-E195 HydrophobicContact CB-CB 4.17Å; A160-E195 HydrophobicContact CB-CG 4.31Å; A160-V197 HydrophobicContact CB-CB 4.42Å; A160-V197 HydrophobicContact CB-CG2 3.82Å; A160-L200 HydrophobicContact CB-CD2 3.7Å
161H85.7Confident90.9Very high138 Ų13831.3 Ų31.364%0.63915%0.154SC*.THydrogen-bonded Turntrans-59.2-43178.9-169.668.1000111.8D159D159-H161 PolarHBondContact O-N 2.81Å
162D87.6Confident90.9Very high107 Ų10737 Ų3757%0.57218%0.179SC*.THydrogen-bonded Turntrans-98.4-22.7-173.5-55.5-46.4000112.7P124 D159 A160P124-D162 HydrophobicContact CB-CB 3.48Å; P124-D162 VanDerWaalsContact CB-CB 3.48Å; P124-D162 HydrophobicContact CG-CB 4.4Å; D159-D162 PolarHBondContact O-N 3.26Å; D159-D162 VanDerWaalsContact O-N 3.12Å; A160-D162 VanDerWaalsContact C-N 3.3Å; A160-D162 PolarHBondContact O-N 3.33Å
163V89.8Confident90.8Very high6 Ų642.4 Ų42.44%0.03620%0.202CC..  trans-115.827.7-170-169.20000112.1I122 P124 D159 D165 V166 C167I122-V163 HydrophobicContact CG2-CG1 4.15Å; I122-V163 HydrophobicContact CG2-CG2 4.46Å; P124-V163 HydrophobicContact CB-CG2 4.34Å; D159-V163 HydrophobicContact CB-CG2 4.32Å; D159-V163 PolarHBondContact O-N 3.47Å; D159-V163 VanDerWaalsContact O-N 3.15Å; V163-D165 VanDerWaalsContact C-N 3.32Å; V163-D165 PolarHBondContact O-N 3.01Å; V163-V166 HydrophobicContact CG1-CB 3.52Å; V163-V166 HydrophobicContact CG1-CG1 4.16Å; V163-V166 HydrophobicContact CG1-CG2 3.66Å; V163-V166 PolarHBondContact O-N 3.17Å; V163-C167 PolarHBondContact O-N 3.37Å; V163-C167 VanDerWaalsContact O-N 3.17Å; V163-C167 PolarHBondContact O-SG 2.88Å
164K90.8Very high90.6Very high73 Ų7344.5 Ų44.532%0.31723%0.225SC..Hα-helixtrans-55.7-42-174.879.5175.8-166155.40113.7A160 C167 L168 V197 E199A160-K164 PolarHBondContact O-N 3.48Å; K164-C167 WeakPolarHBondContact O-CB 3.43Å; K164-C167 PolarHBondContact O-N 3.29Å; K164-L168 WeakPolarHBondContact O-CG 3.4Å; K164-L168 PolarHBondContact O-N 3.18Å; K164-V197 HydrophobicContact CB-CG1 4.34Å; K164-E199 IonicContact NZ-OE2 2.65Å; K164-E199 PolarHBondContact NZ-OE2 2.99Å
165D90.8Very high90.6Very high88 Ų8844.7 Ų44.747%0.47123%0.226SC..Hα-helixtrans-69.9-38.7-173.5-61.2-32.9000110.5Y129 V163 L168 V169Y129-D165 HydrophobicContact CD2-CB 3.94Å; Y129-D165 HydrophobicContact CE2-CB 3.71Å; V163-D165 VanDerWaalsContact C-N 3.32Å; V163-D165 PolarHBondContact O-N 3.01Å; D165-L168 PolarHBondContact O-N 2.84Å; D165-V169 WeakPolarHBondContact O-CG2 3.39Å; D165-V169 PolarHBondContact O-N 2.93Å
166V91.7Very high90.6Very high5 Ų544.5 Ų44.53%0.0323%0.231CC..Hα-helixtrans-64.9-41.7174.8178.70000110.5Y129 A132 V163 L168 V169 F170Y129-V166 HydrophobicContact CD2-CG2 3.75Å; Y129-V166 HydrophobicContact CG-CG2 4.49Å; A132-V166 HydrophobicContact CB-CG1 4.24Å; V163-V166 HydrophobicContact CG1-CB 3.52Å; V163-V166 HydrophobicContact CG1-CG1 4.16Å; V163-V166 HydrophobicContact CG1-CG2 3.66Å; V163-V166 PolarHBondContact O-N 3.17Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 3.42Å; V166-V169 PolarHBondContact O-N 3.35Å; V166-F170 HydrophobicContact CG1-CD1 4.16Å; V166-F170 HydrophobicContact CG1-CD2 4.27Å; V166-F170 HydrophobicContact CG1-CE1 3.66Å; V166-F170 HydrophobicContact CG1-CE2 3.78Å; V166-F170 HydrophobicContact CG1-CG 4.45Å; V166-F170 HydrophobicContact CG1-CZ 3.46Å; V166-F170 VanDerWaalsContact CG1-CZ 3.46Å; V166-F170 WeakPolarHBondContact O-CG 3.24Å; V166-F170 PolarHBondContact O-N 3.32Å
167C92.2Very high90.4Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-61.6-41.5178-61.90000111.9F153 A156 V163 K164 F170 L171 L200F153-C167 HydrophobicContact CE2-CB 4.35Å; A156-C167 PolarHBondContact O-SG 3.05Å; V163-C167 PolarHBondContact O-N 3.37Å; V163-C167 VanDerWaalsContact O-N 3.17Å; V163-C167 PolarHBondContact O-SG 2.88Å; K164-C167 WeakPolarHBondContact O-CB 3.43Å; K164-C167 PolarHBondContact O-N 3.29Å; C167-F170 PolarHBondContact O-N 3.13Å; C167-L171 WeakPolarHBondContact O-CG 3.22Å; C167-L171 PolarHBondContact O-N 2.9Å; C167-L171 VanDerWaalsContact O-N 3.11Å; C167-L200 HydrophobicContact CB-CD1 3.54Å; C167-L200 HydrophobicContact CB-CD2 3.83Å; C167-L200 HydrophobicContact CB-CG 4.33Å
168L92Very high90.3Very high41 Ų4147 Ų4722%0.21525%0.245CC..Hα-helixtrans-65.4-42.2176.1-69.5174.4000111.7K164 D165 V166 F170 L171 E172 L200K164-L168 WeakPolarHBondContact O-CG 3.4Å; K164-L168 PolarHBondContact O-N 3.18Å; D165-L168 PolarHBondContact O-N 2.84Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 3.42Å; L168-F170 VanDerWaalsContact C-N 3.35Å; L168-F170 PolarHBondContact O-N 2.89Å; L168-L171 WeakPolarHBondContact O-CB 3.41Å; L168-L171 PolarHBondContact O-N 2.76Å; L168-E172 WeakPolarHBondContact O-CG 3.37Å; L168-E172 PolarHBondContact O-N 3.24Å; L168-L200 HydrophobicContact CD2-CD1 4.28Å
169V92.7Very high90.2Very high10 Ų1046 Ų466%0.06124%0.242CC..Hα-helixtrans-62.6-41.1175.5169.60000111.5Y129 L133 L136 D165 V166 L171 E172 K173Y129-V169 HydrophobicContact CE2-CG2 3.75Å; L133-V169 HydrophobicContact CD2-CG1 3.76Å; L133-V169 HydrophobicContact CD2-CG2 4.23Å; L136-V169 HydrophobicContact CD1-CG1 3.48Å; L136-V169 VanDerWaalsContact CD1-CG1 3.48Å; D165-V169 WeakPolarHBondContact O-CG2 3.39Å; D165-V169 PolarHBondContact O-N 2.93Å; V166-V169 PolarHBondContact O-N 3.35Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.15Å; V169-E172 WeakPolarHBondContact O-CB 3.39Å; V169-E172 PolarHBondContact O-N 3.4Å; V169-K173 HydrophobicContact CG1-CG 4.44Å; V169-K173 WeakPolarHBondContact O-CG 3.37Å; V169-K173 PolarHBondContact O-N 3.25Å
170F93.3Very high90.2Very high0 Ų047.7 Ų47.70%025%0.25CS..Hα-helixtrans-59.3-43.8174.7-72.3-4.5000111.3L118 A132 L136 V142 I152 F153 A156 V166 C167 L168 E172 K173 G174 A175L118-F170 HydrophobicContact CB-CZ 4.25Å; L118-F170 HydrophobicContact CD1-CE1 4.32Å; L118-F170 HydrophobicContact CD1-CZ 4.5Å; L118-F170 HydrophobicContact CD2-CE1 4.11Å; L118-F170 HydrophobicContact CD2-CZ 4.37Å; A132-F170 HydrophobicContact CB-CE1 4.34Å; L136-F170 HydrophobicContact CD1-CD1 3.83Å; L136-F170 HydrophobicContact CD1-CE1 3.93Å; L136-F170 HydrophobicContact CD2-CD1 4.42Å; L136-F170 HydrophobicContact CD2-CE1 4.49Å; V142-F170 HydrophobicContact CG1-CB 3.8Å; V142-F170 HydrophobicContact CG1-CD1 4.16Å; V142-F170 HydrophobicContact CG1-CG 4Å; I152-F170 HydrophobicContact CD1-CE2 4.13Å; I152-F170 HydrophobicContact CD1-CZ 4.22Å; I152-F170 HydrophobicContact CG1-CE2 4.16Å; F153-F170 HydrophobicContact CD2-CB 3.98Å; F153-F170 HydrophobicContact CD2-CD2 4.33Å; F153-F170 HydrophobicContact CE2-CB 4.43Å; A156-F170 HydrophobicContact CB-CD2 4.27Å; A156-F170 HydrophobicContact CB-CE2 4.13Å; V166-F170 HydrophobicContact CG1-CD1 4.16Å; V166-F170 HydrophobicContact CG1-CD2 4.27Å; V166-F170 HydrophobicContact CG1-CE1 3.66Å; V166-F170 HydrophobicContact CG1-CE2 3.78Å; V166-F170 HydrophobicContact CG1-CG 4.45Å; V166-F170 HydrophobicContact CG1-CZ 3.46Å; V166-F170 VanDerWaalsContact CG1-CZ 3.46Å; V166-F170 WeakPolarHBondContact O-CG 3.24Å; V166-F170 PolarHBondContact O-N 3.32Å; C167-F170 PolarHBondContact O-N 3.13Å; L168-F170 VanDerWaalsContact C-N 3.35Å; L168-F170 PolarHBondContact O-N 2.89Å; F170-E172 PolarHBondContact O-N 2.97Å; F170-K173 CarbonylContact O-C 3.59Å; F170-K173 PolarHBondContact O-N 3.3Å; F170-G174 PolarHBondContact O-N 2.96Å; F170-A175 HydrophobicContact CB-CB 4.06Å; F170-A175 WeakPolarHBondContact O-CB 3.27Å; F170-A175 PolarHBondContact O-N 2.94Å
171L92Very high90.4Very high4 Ų448.1 Ų48.12%0.02125%0.252CS..Hα-helixtrans-63.2-38.7174.7-74.4173.5000112.9F153 C167 L168 V169 K173 G174 A175 L200 I204 R207F153-L171 HydrophobicContact CE1-CD2 3.77Å; F153-L171 HydrophobicContact CE1-CG 4.39Å; F153-L171 HydrophobicContact CE2-CD1 4.21Å; F153-L171 HydrophobicContact CE2-CD2 3.87Å; F153-L171 HydrophobicContact CE2-CG 3.61Å; F153-L171 HydrophobicContact CZ-CD1 3.85Å; F153-L171 HydrophobicContact CZ-CD2 3.36Å; F153-L171 HydrophobicContact CZ-CG 3.49Å; F153-L171 VanDerWaalsContact CZ-CG 3.49Å; C167-L171 WeakPolarHBondContact O-CG 3.22Å; C167-L171 PolarHBondContact O-N 2.9Å; C167-L171 VanDerWaalsContact O-N 3.11Å; L168-L171 WeakPolarHBondContact O-CB 3.41Å; L168-L171 PolarHBondContact O-N 2.76Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.15Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.08Å; L171-G174 PolarHBondContact O-N 3.28Å; L171-A175 HydrophobicContact CD2-CB 4.46Å; L171-L200 HydrophobicContact CD1-CD1 3.73Å; L171-I204 HydrophobicContact CD1-CG1 3.77Å; L171-I204 HydrophobicContact CD2-CG1 4.26Å; L171-R207 VanDerWaalsContact C-NE 3.29Å; L171-R207 WeakPolarHBondContact O-CD 3.47Å; L171-R207 PolarHBondContact O-NE 3.41Å
172E91.6Very high90.5Very high135 Ų13545.9 Ų45.963%0.63125%0.252SS*.Hα-helixtrans-64.4-33.9174-72174.7-17600112.7L168 V169 F170 G174 R207L168-E172 WeakPolarHBondContact O-CG 3.37Å; L168-E172 PolarHBondContact O-N 3.24Å; V169-E172 WeakPolarHBondContact O-CB 3.39Å; V169-E172 PolarHBondContact O-N 3.4Å; F170-E172 PolarHBondContact O-N 2.97Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.48Å; E172-R207 VanDerWaalsContact CG-NH2 3.28Å
173K91.3Very high90.5Very high112 Ų11244.7 Ų44.749%0.48725%0.252SS..THydrogen-bonded Turntrans-88.510.4179.8-65.1-67.2-172.8171.40114.3L136 V142 V169 F170 L171L136-K173 HydrophobicContact CB-CG 4.34Å; L136-K173 HydrophobicContact CD1-CG 4.1Å; L136-K173 HydrophobicContact CD2-CB 4.27Å; L136-K173 HydrophobicContact CD2-CG 4.43Å; V142-K173 HydrophobicContact CG2-CB 4.08Å; V169-K173 HydrophobicContact CG1-CG 4.44Å; V169-K173 WeakPolarHBondContact O-CG 3.37Å; V169-K173 PolarHBondContact O-N 3.25Å; F170-K173 CarbonylContact O-C 3.59Å; F170-K173 PolarHBondContact O-N 3.3Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.08Å
174G89.5Confident90.4Very high46 Ų4646.4 Ų46.447%0.47426%0.263SS..THydrogen-bonded Turntrans93.525.8171.900000115.4N143 F170 L171 E172N143-G174 PolarHBondContact ND2-O 3.44Å; N143-G174 VanDerWaalsContact ND2-O 3.16Å; F170-G174 PolarHBondContact O-N 2.96Å; L171-G174 PolarHBondContact O-N 3.28Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.48Å
175A92.3Very high90.4Very high4 Ų443.6 Ų43.63%0.03325%0.254CS..  trans-58.9136.316800000111.2V142 F153 F170 L171 P177V142-A175 HydrophobicContact CG1-CB 3.78Å; F153-A175 HydrophobicContact CB-CB 4.13Å; F153-A175 HydrophobicContact CD1-CB 4.41Å; F153-A175 HydrophobicContact CD2-CB 3.92Å; F153-A175 HydrophobicContact CG-CB 3.88Å; F170-A175 HydrophobicContact CB-CB 4.06Å; F170-A175 WeakPolarHBondContact O-CB 3.27Å; F170-A175 PolarHBondContact O-N 2.94Å; L171-A175 HydrophobicContact CD2-CB 4.46Å; A175-P177 VanDerWaalsContact O-CD 3.28Å; A175-P177 WeakPolarHBondContact O-CD 3.35Å
176N90.4Very high90.4Very high76 Ų7642.2 Ų42.241%0.40624%0.242SC..  trans-68.4114.9176.7-176.4-2.8000110.2N143 N178 A179N143-N176 PolarHBondContact OD1-N 3Å; N176-N178 PolarHBondContact O-N 3.11Å; N176-N178 PolarHBondContact OD1-N 3.3Å; N176-A179 WeakPolarHBondContact O-CB 3.37Å; N176-A179 PolarHBondContact O-N 3.05Å
177P88.6Confident90.5Very high14 Ų1442.1 Ų42.19%0.09124%0.242CC..THydrogen-bonded Turntrans-67.6-22.1-179.928.5-35.1000112.7A175 A179 I204 R207A175-P177 VanDerWaalsContact O-CD 3.28Å; A175-P177 WeakPolarHBondContact O-CD 3.35Å; P177-A179 VanDerWaalsContact C-N 3.34Å; P177-I204 HydrophobicContact CB-CG2 3.83Å; P177-R207 HydrophobicContact CG-CB 4.33Å; P177-R207 WeakPolarHBondContact CG-O 3.49Å
178N89.6Confident90.5Very high39 Ų3942.1 Ų42.121%0.20924%0.242CC..THydrogen-bonded Turntrans-98.823.2-180-62.6-37.1000112.1N176 I180 G208 G209 E210N176-N178 PolarHBondContact O-N 3.11Å; N176-N178 PolarHBondContact OD1-N 3.3Å; N178-I180 VanDerWaalsContact O-CG1 3.3Å; N178-I180 WeakPolarHBondContact O-CG1 3.29Å; N178-I180 PolarHBondContact O-N 3.45Å; N178-G208 PolarHBondContact ND2-O 2.59Å; N178-G209 VanDerWaalsContact OD1-CA 3.29Å; N178-G209 WeakPolarHBondContact OD1-CA 3.49Å; N178-E210 PolarHBondContact OD1-N 2.82Å
179A87.5Confident90.5Very high9 Ų940.2 Ų40.27%0.07423%0.232CC..  trans-59128.7174.400000110.7P151 N176 P177 T187 A188P151-A179 HydrophobicContact CB-CB 4.04Å; P151-A179 HydrophobicContact CG-CB 3.7Å; N176-A179 WeakPolarHBondContact O-CB 3.37Å; N176-A179 PolarHBondContact O-N 3.05Å; P177-A179 VanDerWaalsContact C-N 3.34Å; A179-T187 WeakPolarHBondContact O-CA 3.38Å; A179-A188 PolarHBondContact O-N 3.37Å
180I89.8Confident90.6Very high95 Ų9539.7 Ų39.749%0.48723%0.229SC..BIsolated β-bridgetrans-112.6137.8-176.9-49.9-176.5000109.1P151 N178 R186 T187P151-I180 WeakPolarHBondContact CD-O 3.14Å; N178-I180 VanDerWaalsContact O-CG1 3.3Å; N178-I180 WeakPolarHBondContact O-CG1 3.29Å; N178-I180 PolarHBondContact O-N 3.45Å; I180-R186 WeakPolarHBondContact CA-O 3.39Å; I180-T187 HydrophobicContact CG1-CG2 4.29Å
181N89.9Confident90.5Very high8 Ų839.8 Ų39.84%0.04323%0.229CC..  trans-80121.2167.5-176.8-15.7000109.6L154 S183 T184 G185 R186L154-N181 HydrophobicContact CD1-CB 3.67Å; L154-N181 HydrophobicContact CD2-CB 4.04Å; N181-S183 PolarHBondContact ND2-OG 3.39Å; N181-S183 PolarHBondContact O-N 3.19Å; N181-S183 PolarHBondContact OD1-N 3.36Å; N181-S183 PolarHBondContact OD1-OG 3.26Å; N181-T184 WeakPolarHBondContact CB-OG1 3.48Å; N181-T184 PolarHBondContact ND2-OG1 3.23Å; N181-T184 PolarHBondContact O-N 3.02Å; N181-G185 VanDerWaalsContact O-CA 3.3Å; N181-G185 WeakPolarHBondContact O-CA 3.5Å; N181-G185 PolarHBondContact O-N 3.35Å; N181-R186 PolarHBondContact N-O 3.18Å
182S87.9Confident90.6Very high92 Ų9239.6 Ų39.664%0.64323%0.228SC*.THydrogen-bonded Turntrans-61.4-28.6-177.7-58.40000113.6G149G149-S182 PolarHBondContact O-N 3.17Å; G149-S182 VanDerWaalsContact O-N 3.12Å; G149-S182 PolarHBondContact O-OG 2.94Å; G149-S182 VanDerWaalsContact O-OG 3.1Å
183S87.4Confident90.7Very high81 Ų8133.1 Ų33.157%0.56620%0.198SC*.THydrogen-bonded Turntrans-80.8-40.3-177.861.80000113.7N181 N216N181-S183 PolarHBondContact ND2-OG 3.39Å; N181-S183 PolarHBondContact O-N 3.19Å; N181-S183 PolarHBondContact OD1-N 3.36Å; N181-S183 PolarHBondContact OD1-OG 3.26Å; S183-N216 PolarHBondContact O-ND2 3.14Å
184T87.7Confident90.8Very high43 Ų4331.7 Ų31.726%0.26419%0.19SC..THydrogen-bonded Turntrans-107.2-15.9-173.659.60000113.6N181 R186 N216N181-T184 WeakPolarHBondContact CB-OG1 3.48Å; N181-T184 PolarHBondContact ND2-OG1 3.23Å; N181-T184 PolarHBondContact O-N 3.02Å; T184-R186 PolarHBondContact O-N 3.47Å; T184-R186 PolarHBondContact OG1-N 3.12Å; T184-N216 VanDerWaalsContact C-ND2 3.32Å; T184-N216 WeakPolarHBondContact O-CB 3.24Å; T184-N216 PolarHBondContact O-N 3.16Å; T184-N216 VanDerWaalsContact O-N 3.08Å; T184-N216 PolarHBondContact O-ND2 3.39Å
185G89.8Confident90.9Very high13 Ų1332.3 Ų32.313%0.13418%0.18CC..  trans71.16.6-171.300000113.7N181N181-G185 VanDerWaalsContact O-CA 3.3Å; N181-G185 WeakPolarHBondContact O-CA 3.5Å; N181-G185 PolarHBondContact O-N 3.35Å
186R91.4Very high90.9Very high59 Ų5933 Ų3322%0.22319%0.187CC..  trans-76.6144.7-177.3-68.6-178.3-176.7167.54.4111.8L154 I180 N181 T184 M190 E191 D215L154-R186 WeakPolarHBondContact CD1-O 3.03Å; I180-R186 WeakPolarHBondContact CA-O 3.39Å; N181-R186 PolarHBondContact N-O 3.18Å; T184-R186 PolarHBondContact O-N 3.47Å; T184-R186 PolarHBondContact OG1-N 3.12Å; R186-M190 HydrophobicContact CB-SD 4.26Å; R186-M190 HydrophobicContact CG-SD 4.36Å; R186-E191 WeakPolarHBondContact CD-OE1 3.46Å; R186-E191 IonicContact CZ-OE1 3.35Å; R186-E191 IonicContact NE-OE1 2.76Å; R186-E191 IonicContact NH1-OE1 3.7Å; R186-E191 PolarHBondContact NH1-OE1 3.05Å; R186-E191 IonicContact NH1-OE2 2.98Å; R186-D215 HydrophobicContact CG-CB 3.66Å; R186-D215 IonicContact NE-OD2 2.74Å
187T92.7Very high91.1Very high3 Ų330.1 Ų30.12%0.01817%0.173CC..BIsolated β-bridgetrans-96.6159.2174.466.80000111.8A179 I180 L189 M190 E191 T213A179-T187 WeakPolarHBondContact O-CA 3.38Å; I180-T187 HydrophobicContact CG1-CG2 4.29Å; T187-L189 PolarHBondContact O-N 3.43Å; T187-M190 HydrophobicContact CG2-CE 4.07Å; T187-M190 PolarHBondContact N-SD 2.89Å; T187-M190 WeakPolarHBondContact O-CB 3.47Å; T187-M190 PolarHBondContact O-N 2.92Å; T187-M190 WeakPolarHBondContact OG1-CG 3.32Å; T187-M190 PolarHBondContact OG1-N 3.14Å; T187-E191 PolarHBondContact O-N 3.3Å; T187-T213 HydrophobicContact CG2-CG2 4.35Å; T187-T213 WeakPolarHBondContact CG2-OG1 3.39Å
188A92.2Very high91.3Very high0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-56.6-35.8173.900000112.6F153 A179 M190 E191 A192 I204F153-A188 HydrophobicContact CD1-CB 3.54Å; F153-A188 HydrophobicContact CE1-CB 3.4Å; F153-A188 VanDerWaalsContact CE1-CB 3.4Å; F153-A188 HydrophobicContact CZ-CB 4.43Å; A179-A188 PolarHBondContact O-N 3.37Å; A188-M190 VanDerWaalsContact C-N 3.34Å; A188-M190 PolarHBondContact O-N 3.25Å; A188-E191 PolarHBondContact O-N 2.74Å; A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 3.24Å; A188-I204 HydrophobicContact CB-CD1 4.49Å
189L93.8Very high91.4Very high1 Ų135 Ų351%0.00520%0.196CC..Hα-helixtrans-62.7-38.5175.3-176.864.2000112.6T187 S193 V201 I204 L205 V211 A221 L237T187-L189 PolarHBondContact O-N 3.43Å; L189-S193 VanDerWaalsContact O-CB 3.28Å; L189-S193 WeakPolarHBondContact O-CB 3.38Å; L189-S193 PolarHBondContact O-N 2.93Å; L189-S193 PolarHBondContact O-OG 3.4Å; L189-V201 HydrophobicContact CD1-CG1 3.89Å; L189-I204 HydrophobicContact CB-CG2 4.12Å; L189-I204 HydrophobicContact CD1-CB 4.37Å; L189-I204 HydrophobicContact CD1-CG2 4.04Å; L189-L205 HydrophobicContact CD1-CD2 3.96Å; L189-L205 HydrophobicContact CD1-CG 4.05Å; L189-L205 HydrophobicContact CD2-CD2 3.82Å; L189-V211 HydrophobicContact CD2-CG2 4.42Å; L189-A221 HydrophobicContact CD2-CB 4.2Å; L189-A221 HydrophobicContact CG-CB 4.05Å; L189-L237 HydrophobicContact CD1-CD2 4.29Å; L189-L237 HydrophobicContact CD2-CD2 4.22Å; L189-L237 HydrophobicContact CG-CD2 4.41Å
190M93.4Very high91.7Very high0 Ų034.6 Ų34.60%019%0.193CC..Hα-helixtrans-65.4-45176.7-69.2169.5-167.500111.3R186 T187 A188 S193 R194 T213 F214 D215 A221 F224R186-M190 HydrophobicContact CB-SD 4.26Å; R186-M190 HydrophobicContact CG-SD 4.36Å; T187-M190 HydrophobicContact CG2-CE 4.07Å; T187-M190 PolarHBondContact N-SD 2.89Å; T187-M190 WeakPolarHBondContact O-CB 3.47Å; T187-M190 PolarHBondContact O-N 2.92Å; T187-M190 WeakPolarHBondContact OG1-CG 3.32Å; T187-M190 PolarHBondContact OG1-N 3.14Å; A188-M190 VanDerWaalsContact C-N 3.34Å; A188-M190 PolarHBondContact O-N 3.25Å; M190-S193 CarbonylContact O-C 3.6Å; M190-S193 WeakPolarHBondContact O-CB 3.25Å; M190-S193 PolarHBondContact O-N 2.95Å; M190-R194 WeakPolarHBondContact O-CB 3.42Å; M190-R194 PolarHBondContact O-N 3.1Å; M190-T213 WeakPolarHBondContact CE-O 3.16Å; M190-F214 VanDerWaalsContact CE-CA 3.45Å; M190-D215 HydrophobicContact SD-CB 4.07Å; M190-A221 HydrophobicContact CG-CB 4.43Å; M190-F224 HydrophobicContact CB-CD2 3.86Å; M190-F224 HydrophobicContact CB-CE2 3.91Å; M190-F224 HydrophobicContact CG-CD2 4.13Å; M190-F224 HydrophobicContact CG-CE2 4.08Å; M190-F224 HydrophobicContact SD-CE2 4.18Å
191E92.3Very high91.9Very high1 Ų130 Ų301%0.00517%0.17CC..Hα-helixtrans-69.4-41.5-179.8-60.1-62-163.300111.9L154 C157 E158 R186 T187 A188 S193 R194 E195L154-E191 HydrophobicContact CG-CG 4.48Å; C157-E191 HydrophobicContact CB-CB 4.17Å; E158-E191 HydrophobicContact CG-CG 4.36Å; R186-E191 WeakPolarHBondContact CD-OE1 3.46Å; R186-E191 IonicContact CZ-OE1 3.35Å; R186-E191 IonicContact NE-OE1 2.76Å; R186-E191 IonicContact NH1-OE1 3.7Å; R186-E191 PolarHBondContact NH1-OE1 3.05Å; R186-E191 IonicContact NH1-OE2 2.98Å; T187-E191 PolarHBondContact O-N 3.3Å; A188-E191 PolarHBondContact O-N 2.74Å; E191-S193 PolarHBondContact O-N 3Å; E191-R194 WeakPolarHBondContact O-CB 3.37Å; E191-R194 PolarHBondContact O-N 3.41Å; E191-R194 IonicContact OE1-CZ 2.69Å; E191-R194 IonicContact OE1-NH1 2.78Å; E191-R194 PolarHBondContact OE1-NH1 3.24Å; E191-R194 WeakPolarHBondContact OE2-CD 3.15Å; E191-R194 IonicContact OE2-CZ 2.85Å; E191-R194 IonicContact OE2-NE 2.78Å; E191-R194 PolarHBondContact OE2-NE 3.28Å; E191-R194 VanDerWaalsContact OE2-NE 3.16Å; E191-R194 IonicContact OE2-NH1 3.91Å; E191-R194 PolarHBondContact OE2-NH1 3.38Å; E191-R194 IonicContact OE2-NH2 3.66Å; E191-E195 PolarHBondContact O-N 2.91Å
192A93.6Very high92Very high0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-59.7-35.6171.700000112.5A188 G196 V197 L200 V201 I204A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 3.24Å; A192-G196 PolarHBondContact O-N 3.32Å; A192-G196 VanDerWaalsContact O-N 3.08Å; A192-V197 PolarHBondContact O-N 3.11Å; A192-L200 HydrophobicContact CB-CD2 3.97Å; A192-L200 HydrophobicContact CB-CG 4.15Å; A192-V201 HydrophobicContact CB-CG2 3.77Å; A192-I204 HydrophobicContact CB-CD1 3.9Å
193S93.5Very high92.2Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-73.4-28.1175.4-60.70000113.4L189 M190 E191 F230L189-S193 VanDerWaalsContact O-CB 3.28Å; L189-S193 WeakPolarHBondContact O-CB 3.38Å; L189-S193 PolarHBondContact O-N 2.93Å; L189-S193 PolarHBondContact O-OG 3.4Å; M190-S193 CarbonylContact O-C 3.6Å; M190-S193 WeakPolarHBondContact O-CB 3.25Å; M190-S193 PolarHBondContact O-N 2.95Å; E191-S193 PolarHBondContact O-N 3Å; S193-F230 VanDerWaalsContact O-CD2 3.25Å; S193-F230 WeakPolarHBondContact O-CD2 3.48Å; S193-F230 WeakPolarHBondContact O-CE2 3.31Å
194R93Very high92.5Very high81 Ų8125.3 Ų25.331%0.30613%0.126SC..Hα-helixtrans-72.2-40.2175.3-173.3-170.476.3-166.52111.5M190 E191 F224 F230M190-R194 WeakPolarHBondContact O-CB 3.42Å; M190-R194 PolarHBondContact O-N 3.1Å; E191-R194 WeakPolarHBondContact O-CB 3.37Å; E191-R194 PolarHBondContact O-N 3.41Å; E191-R194 IonicContact OE1-CZ 2.69Å; E191-R194 IonicContact OE1-NH1 2.78Å; E191-R194 PolarHBondContact OE1-NH1 3.24Å; E191-R194 WeakPolarHBondContact OE2-CD 3.15Å; E191-R194 IonicContact OE2-CZ 2.85Å; E191-R194 IonicContact OE2-NE 2.78Å; E191-R194 PolarHBondContact OE2-NE 3.28Å; E191-R194 VanDerWaalsContact OE2-NE 3.16Å; E191-R194 IonicContact OE2-NH1 3.91Å; E191-R194 PolarHBondContact OE2-NH1 3.38Å; E191-R194 IonicContact OE2-NH2 3.66Å; R194-F224 HydrophobicContact CB-CB 4.18Å; R194-F224 HydrophobicContact CB-CD1 4.23Å; R194-F224 HydrophobicContact CB-CG 4.37Å; R194-F224 HydrophobicContact CG-CD1 4.17Å; R194-F230 WeakPolarHBondContact O-CE2 3.41Å
195E92.4Very high92.7Very high59 Ų5923.6 Ų23.628%0.27612%0.115SC..Hα-helixtrans-79.8-23.8178.5-61.7-47.8130.200113.2E158 A160 E191 V197E158-E195 WeakPolarHBondContact O-CG 3.47Å; A160-E195 HydrophobicContact CB-CB 4.17Å; A160-E195 HydrophobicContact CB-CG 4.31Å; E191-E195 PolarHBondContact O-N 2.91Å; E195-V197 HydrophobicContact CB-CG2 4.45Å
196G92.4Very high92.7Very high18 Ų1827.3 Ų27.319%0.18613%0.129CC..THydrogen-bonded Turntrans92.521172.700000115.4A192 V198 F230 I233A192-G196 PolarHBondContact O-N 3.32Å; A192-G196 VanDerWaalsContact O-N 3.08Å; G196-V198 PolarHBondContact O-N 3.37Å; G196-F230 VanDerWaalsContact CA-CZ 3.41Å; G196-I233 VanDerWaalsContact CA-CD1 3.49Å
197V93.9Very high92.7Very high17 Ų1729 Ų2910%0.10314%0.136CC..  trans-8995.8-176.2-172.90000111.1A160 K164 A192 E195 E199 L200 V201A160-V197 HydrophobicContact CB-CB 4.42Å; A160-V197 HydrophobicContact CB-CG2 3.82Å; K164-V197 HydrophobicContact CB-CG1 4.34Å; A192-V197 PolarHBondContact O-N 3.11Å; E195-V197 HydrophobicContact CB-CG2 4.45Å; V197-E199 PolarHBondContact O-N 3Å; V197-L200 HydrophobicContact CB-CB 4.08Å; V197-L200 HydrophobicContact CG1-CB 3.68Å; V197-L200 PolarHBondContact O-N 3.09Å; V197-V201 WeakPolarHBondContact O-CG2 3.33Å; V197-V201 PolarHBondContact O-N 3.3Å
198V93.2Very high92.4Very high48 Ų4831 Ų3129%0.29116%0.157SC..Hα-helixtrans-58.6-43.5-175.9-178.90000112.9G196 V201 R202 D232 I233 L236G196-V198 PolarHBondContact O-N 3.37Å; V198-V201 PolarHBondContact O-N 3.02Å; V198-R202 WeakPolarHBondContact O-CB 3.38Å; V198-R202 PolarHBondContact O-N 2.96Å; V198-D232 HydrophobicContact CG1-CB 4.42Å; V198-D232 HydrophobicContact CG2-CB 4.09Å; V198-I233 HydrophobicContact CG2-CG1 3.95Å; V198-L236 HydrophobicContact CG1-CD1 3.57Å
199E92.4Very high92.3Very high106 Ų10631.5 Ų31.550%0.49516%0.162SC..Hα-helixtrans-63.5-43.4-178.9-67174.5173.300111.5K164 V197 R202 G203K164-E199 IonicContact NZ-OE2 2.65Å; K164-E199 PolarHBondContact NZ-OE2 2.99Å; V197-E199 PolarHBondContact O-N 3Å; E199-R202 PolarHBondContact O-N 3.48Å; E199-G203 PolarHBondContact O-N 3.47Å
200L93.1Very high92.1Very high1 Ų136.8 Ų36.81%0.00519%0.187CC..Hα-helixtrans-67.7-45.6178.3-179.758.6000111.3F153 A160 C167 L168 L171 A192 V197 R202 G203 I204F153-L200 HydrophobicContact CZ-CD1 4.43Å; A160-L200 HydrophobicContact CB-CD2 3.7Å; C167-L200 HydrophobicContact CB-CD1 3.54Å; C167-L200 HydrophobicContact CB-CD2 3.83Å; C167-L200 HydrophobicContact CB-CG 4.33Å; L168-L200 HydrophobicContact CD2-CD1 4.28Å; L171-L200 HydrophobicContact CD1-CD1 3.73Å; A192-L200 HydrophobicContact CB-CD2 3.97Å; A192-L200 HydrophobicContact CB-CG 4.15Å; V197-L200 HydrophobicContact CB-CB 4.08Å; V197-L200 HydrophobicContact CG1-CB 3.68Å; V197-L200 PolarHBondContact O-N 3.09Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-R202 PolarHBondContact O-N 3.39Å; L200-G203 PolarHBondContact O-N 2.98Å; L200-G203 VanDerWaalsContact O-N 3.08Å; L200-I204 HydrophobicContact CD1-CD1 4.26Å; L200-I204 HydrophobicContact CD1-CG1 4.28Å; L200-I204 HydrophobicContact CG-CD1 4.05Å; L200-I204 HydrophobicContact CG-CG1 4.49Å; L200-I204 WeakPolarHBondContact O-CG1 3.34Å; L200-I204 PolarHBondContact O-N 2.91Å
201V94Very high91.9Very high0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-56.8-45175.5169.80000110.8L189 A192 V197 V198 G203 I204 L205 I233 L236 L237L189-V201 HydrophobicContact CD1-CG1 3.89Å; A192-V201 HydrophobicContact CB-CG2 3.77Å; V197-V201 WeakPolarHBondContact O-CG2 3.33Å; V197-V201 PolarHBondContact O-N 3.3Å; V198-V201 PolarHBondContact O-N 3.02Å; V201-G203 PolarHBondContact O-N 3.4Å; V201-I204 PolarHBondContact O-N 3.09Å; V201-L205 HydrophobicContact CG1-CD1 3.77Å; V201-L205 HydrophobicContact CG1-CG 4.34Å; V201-L205 WeakPolarHBondContact O-CB 3.49Å; V201-L205 WeakPolarHBondContact O-CG 3.06Å; V201-L205 PolarHBondContact O-N 3.28Å; V201-I233 HydrophobicContact CG1-CG2 4.28Å; V201-I233 HydrophobicContact CG2-CD1 4.16Å; V201-I233 HydrophobicContact CG2-CG2 4.42Å; V201-L236 HydrophobicContact CG1-CD1 4.34Å; V201-L237 HydrophobicContact CG1-CD2 4.48Å
202R92.8Very high91.7Very high77 Ų7740.7 Ų40.729%0.29121%0.208SC..Hα-helixtrans-57.9-48.7173.9-177.2-170.7-56.7-87.5-15.6111.2V198 E199 L200 I204 L205 E206 L236 E335V198-R202 WeakPolarHBondContact O-CB 3.38Å; V198-R202 PolarHBondContact O-N 2.96Å; E199-R202 PolarHBondContact O-N 3.48Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-R202 PolarHBondContact O-N 3.39Å; R202-I204 VanDerWaalsContact C-N 3.31Å; R202-I204 PolarHBondContact O-N 3.38Å; R202-L205 PolarHBondContact O-N 3.14Å; R202-E206 HydrophobicContact CG-CG 4.42Å; R202-E206 WeakPolarHBondContact O-CB 3.32Å; R202-E206 VanDerWaalsContact O-CG 3.29Å; R202-E206 WeakPolarHBondContact O-CG 3.29Å; R202-E206 PolarHBondContact O-N 2.93Å; R202-L236 HydrophobicContact CB-CD1 4.39Å; R202-L236 HydrophobicContact CB-CD2 4.15Å; R202-L236 HydrophobicContact CG-CD2 4.34Å; R202-E335 IonicContact CZ-OE1 3.93Å; R202-E335 IonicContact CZ-OE2 3.9Å; R202-E335 IonicContact NH1-OE1 2.88Å; R202-E335 PolarHBondContact NH1-OE1 3.29Å; R202-E335 IonicContact NH1-OE2 3.17Å; R202-E335 PolarHBondContact NH1-OE2 3.2Å; R202-E335 VanDerWaalsContact NH1-OE2 3.09Å; R202-E335 IonicContact NH2-OE1 2.82Å; R202-E335 PolarHBondContact NH2-OE1 2.95Å; R202-E335 IonicContact NH2-OE2 3.74Å; R202-E335 PolarHBondContact NH2-OE2 3.33Å
203G91.8Very high91.6Very high5 Ų541.8 Ų41.85%0.05222%0.215CC..Hα-helixtrans-61.7-34.2-179.900000114.3E199 L200 V201 R207E199-G203 PolarHBondContact O-N 3.47Å; L200-G203 PolarHBondContact O-N 2.98Å; L200-G203 VanDerWaalsContact O-N 3.08Å; V201-G203 PolarHBondContact O-N 3.4Å; G203-R207 PolarHBondContact O-NH1 2.95Å
204I93.1Very high91.5Very high0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-70.1-47174.8-66.6171.1000110.3F153 L171 P177 A188 L189 A192 L200 V201 R202 E206 R207 G208 G209F153-I204 HydrophobicContact CE1-CD1 4.13Å; F153-I204 HydrophobicContact CE1-CG1 4.15Å; F153-I204 HydrophobicContact CZ-CD1 3.94Å; F153-I204 HydrophobicContact CZ-CG1 3.87Å; L171-I204 HydrophobicContact CD1-CG1 3.77Å; L171-I204 HydrophobicContact CD2-CG1 4.26Å; P177-I204 HydrophobicContact CB-CG2 3.83Å; A188-I204 HydrophobicContact CB-CD1 4.49Å; L189-I204 HydrophobicContact CB-CG2 4.12Å; L189-I204 HydrophobicContact CD1-CB 4.37Å; L189-I204 HydrophobicContact CD1-CG2 4.04Å; A192-I204 HydrophobicContact CB-CD1 3.9Å; L200-I204 HydrophobicContact CD1-CD1 4.26Å; L200-I204 HydrophobicContact CD1-CG1 4.28Å; L200-I204 HydrophobicContact CG-CD1 4.05Å; L200-I204 HydrophobicContact CG-CG1 4.49Å; L200-I204 WeakPolarHBondContact O-CG1 3.34Å; L200-I204 PolarHBondContact O-N 2.91Å; V201-I204 PolarHBondContact O-N 3.09Å; R202-I204 VanDerWaalsContact C-N 3.31Å; R202-I204 PolarHBondContact O-N 3.38Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.46Å; I204-R207 PolarHBondContact O-N 3.2Å; I204-R207 VanDerWaalsContact O-N 3.16Å; I204-G208 PolarHBondContact O-N 3.11Å; I204-G209 PolarHBondContact O-N 2.76Å
205L92.1Very high91.5Very high7 Ų743.9 Ų43.94%0.03723%0.226CC..Hα-helixtrans-64.5-38.2-179.2-68.2172.7000112.3L189 V201 R202 R207 G208 V211 L236 L237 Y240L189-L205 HydrophobicContact CD1-CD2 3.96Å; L189-L205 HydrophobicContact CD1-CG 4.05Å; L189-L205 HydrophobicContact CD2-CD2 3.82Å; V201-L205 HydrophobicContact CG1-CD1 3.77Å; V201-L205 HydrophobicContact CG1-CG 4.34Å; V201-L205 WeakPolarHBondContact O-CB 3.49Å; V201-L205 WeakPolarHBondContact O-CG 3.06Å; V201-L205 PolarHBondContact O-N 3.28Å; R202-L205 PolarHBondContact O-N 3.14Å; L205-R207 PolarHBondContact O-N 3.33Å; L205-G208 PolarHBondContact O-N 3.38Å; L205-G208 VanDerWaalsContact O-N 3.16Å; L205-V211 HydrophobicContact CD2-CG2 3.47Å; L205-V211 VanDerWaalsContact CD2-CG2 3.47Å; L205-L236 HydrophobicContact CD1-CB 4.3Å; L205-L236 HydrophobicContact CD1-CD2 4.36Å; L205-L237 HydrophobicContact CD1-CD2 4.4Å; L205-Y240 HydrophobicContact CB-CD1 3.83Å; L205-Y240 HydrophobicContact CB-CD2 3.99Å; L205-Y240 HydrophobicContact CB-CE1 3.83Å; L205-Y240 HydrophobicContact CB-CE2 3.99Å; L205-Y240 HydrophobicContact CB-CG 3.9Å; L205-Y240 HydrophobicContact CD1-CD2 3.64Å; L205-Y240 HydrophobicContact CD1-CE2 4.11Å; L205-Y240 HydrophobicContact CD1-CG 3.99Å; L205-Y240 HydrophobicContact CD2-CG 4.32Å; L205-Y240 HydrophobicContact CG-CD2 4.33Å; L205-Y240 HydrophobicContact CG-CG 4.29Å
206E89.8Confident91.3Very high90 Ų9046 Ų4642%0.42124%0.239SC..Hα-helixtrans-62.3-26.5175.4-74.8-176.9153.200113.5R202 I204 Y240 R336R202-E206 HydrophobicContact CG-CG 4.42Å; R202-E206 WeakPolarHBondContact O-CB 3.32Å; R202-E206 VanDerWaalsContact O-CG 3.29Å; R202-E206 WeakPolarHBondContact O-CG 3.29Å; R202-E206 PolarHBondContact O-N 2.93Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.46Å; E206-Y240 WeakPolarHBondContact CG-OH 3.26Å; E206-R336 IonicContact OE1-CZ 2.59Å; E206-R336 IonicContact OE1-NH1 2.82Å; E206-R336 PolarHBondContact OE1-NH1 3.48Å; E206-R336 IonicContact OE1-NH2 3.84Å
207R90.7Very high91.2Very high95 Ų9549 Ų4936%0.35825%0.252SS..THydrogen-bonded Turntrans-94.99.7179-69.9174.9178.183.2-6.7113.5L171 E172 P177 G203 I204 L205L171-R207 VanDerWaalsContact C-NE 3.29Å; L171-R207 WeakPolarHBondContact O-CD 3.47Å; L171-R207 PolarHBondContact O-NE 3.41Å; E172-R207 VanDerWaalsContact CG-NH2 3.28Å; P177-R207 HydrophobicContact CG-CB 4.33Å; P177-R207 WeakPolarHBondContact CG-O 3.49Å; G203-R207 PolarHBondContact O-NH1 2.95Å; I204-R207 PolarHBondContact O-N 3.2Å; I204-R207 VanDerWaalsContact O-N 3.16Å; L205-R207 PolarHBondContact O-N 3.33Å
208G87.9Confident91.1Very high46 Ų4654.3 Ų54.347%0.47427%0.27SS..THydrogen-bonded Turntrans92.927.5176.400000114.7N178 I204 L205 E210N178-G208 PolarHBondContact ND2-O 2.59Å; I204-G208 PolarHBondContact O-N 3.11Å; L205-G208 PolarHBondContact O-N 3.38Å; L205-G208 VanDerWaalsContact O-N 3.16Å; G208-E210 PolarHBondContact O-N 3.08Å
209G89.3Confident91.1Very high9 Ų953.5 Ų53.59%0.09326%0.263CS..  trans-60.3126.7171.500000113N178 I204 V211N178-G209 VanDerWaalsContact OD1-CA 3.29Å; N178-G209 WeakPolarHBondContact OD1-CA 3.49Å; I204-G209 PolarHBondContact O-N 2.76Å; G209-V211 PolarHBondContact O-N 3.3Å
210E89.2Confident91.1Very high113 Ų11349.1 Ų49.153%0.52824%0.242SC..  trans-79112.5-179-69.9-179.8-166.700111.9N178 G208 T213N178-E210 PolarHBondContact OD1-N 2.82Å; G208-E210 PolarHBondContact O-N 3.08Å; E210-T213 HydrophobicContact CB-CG2 3.54Å; E210-T213 HydrophobicContact CG-CG2 4.48Å; E210-T213 PolarHBondContact O-OG1 2.9Å; E210-T213 WeakPolarHBondContact OE2-CG2 3.47Å
211V89.4Confident91.1Very high13 Ų1349 Ų498%0.07924%0.242CC..THydrogen-bonded Turntrans-72.7-33.8-171.9-169.10000113.9L189 L205 G209 L237 Y240L189-V211 HydrophobicContact CD2-CG2 4.42Å; L205-V211 HydrophobicContact CD2-CG2 3.47Å; L205-V211 VanDerWaalsContact CD2-CG2 3.47Å; G209-V211 PolarHBondContact O-N 3.3Å; V211-L237 HydrophobicContact CG1-CB 4.01Å; V211-L237 HydrophobicContact CG1-CD2 3.76Å; V211-L237 HydrophobicContact CG1-CG 4.44Å; V211-Y240 VanDerWaalsContact CG2-O 3.3Å; V211-Y240 WeakPolarHBondContact CG2-O 3.33Å
212N89.3Confident91.1Very high69 Ų6949.3 Ų49.337%0.36924%0.244SC..THydrogen-bonded Turntrans-99.515.6-171.6-60.7-41.1000112.9H220 N241 G242 D243 L246N212-H220 PolarHBondContact O-CD2 3.27Å; N212-N241 PolarHBondContact ND2-O 3.31Å; N212-G242 WeakPolarHBondContact OD1-CA 3.49Å; N212-D243 PolarHBondContact OD1-N 3.16Å; N212-L246 HydrophobicContact CB-CD1 4.37Å
213T90.5Very high91.2Very high24 Ų2445.8 Ų45.815%0.14723%0.231CC..  trans-65155.5168.248.60000110.4T187 M190 E210 H220T187-T213 HydrophobicContact CG2-CG2 4.35Å; T187-T213 WeakPolarHBondContact CG2-OG1 3.39Å; M190-T213 WeakPolarHBondContact CE-O 3.16Å; E210-T213 HydrophobicContact CB-CG2 3.54Å; E210-T213 HydrophobicContact CG-CG2 4.48Å; E210-T213 PolarHBondContact O-OG1 2.9Å; E210-T213 WeakPolarHBondContact OE2-CG2 3.47Å; T213-H220 PolarHBondContact O-CD2 2.91Å
214F91.1Very high91.3Very high120 Ų12046.3 Ų46.353%0.52623%0.231SC..  trans-134.1146.8-178.362.2-99.2000112.1M190 R218 H219M190-F214 VanDerWaalsContact CE-CA 3.45Å; F214-R218 HydrophobicContact CD2-CG 4.23Å; F214-H219 VanDerWaalsContact CA-O 3.3Å; F214-H219 WeakPolarHBondContact CA-O 3.35Å
215D92.4Very high91.3Very high4 Ų446.3 Ų46.32%0.02123%0.231CC..  trans-82.9-178.8174.977.3-3.9000112.2R186 M190 D217 R218 H219R186-D215 HydrophobicContact CG-CB 3.66Å; R186-D215 IonicContact NE-OD2 2.74Å; M190-D215 HydrophobicContact SD-CB 4.07Å; D215-D217 PolarHBondContact O-N 2.98Å; D215-D217 WeakPolarHBondContact OD1-CA 3.31Å; D215-D217 WeakPolarHBondContact OD1-CB 3.47Å; D215-D217 PolarHBondContact OD1-N 3.47Å; D215-R218 WeakPolarHBondContact O-CA 3.28Å; D215-R218 PolarHBondContact O-N 2.94Å; D215-R218 PolarHBondContact OD1-N 3.39Å; D215-R218 VanDerWaalsContact OD1-N 3.1Å; D215-H219 PolarHBondContact N-O 3.46Å; D215-H219 WeakPolarHBondContact OD1-CB 3.33Å; D215-H219 IonicContact OD1-CG 3.81Å; D215-H219 PolarHBondContact OD1-N 3.16Å; D215-H219 IonicContact OD1-ND1 2.83Å; D215-H219 PolarHBondContact OD1-ND1 3.17Å; D215-H219 IonicContact OD2-CG 3.83Å; D215-H219 IonicContact OD2-ND1 3.61Å; D215-H219 PolarHBondContact OD2-ND1 2.82Å
216N90.3Very high91.4Very high103 Ų10346 Ų4655%0.55123%0.23SC*.THydrogen-bonded Turntrans-56.7-26.2179.5-68.7-12.7000113.2S183 T184 L249S183-N216 PolarHBondContact O-ND2 3.14Å; T184-N216 VanDerWaalsContact C-ND2 3.32Å; T184-N216 WeakPolarHBondContact O-CB 3.24Å; T184-N216 PolarHBondContact O-N 3.16Å; T184-N216 VanDerWaalsContact O-N 3.08Å; T184-N216 PolarHBondContact O-ND2 3.39Å; N216-L249 WeakPolarHBondContact O-CD1 3.46Å
217D89.9Confident91.6Very high83 Ų8348 Ų4844%0.44424%0.237SC..THydrogen-bonded Turntrans-94.29.1178.4-70.5-30.5000113.6D215 H219 L249D215-D217 PolarHBondContact O-N 2.98Å; D215-D217 WeakPolarHBondContact OD1-CA 3.31Å; D215-D217 WeakPolarHBondContact OD1-CB 3.47Å; D215-D217 PolarHBondContact OD1-N 3.47Å; D217-H219 WeakPolarHBondContact CB-CE1 3.18Å; D217-H219 WeakPolarHBondContact CB-ND1 3.23Å; D217-H219 PolarHBondContact O-N 2.9Å; D217-H219 IonicContact OD2-CE1 2.68Å; D217-L249 WeakPolarHBondContact O-CB 3.25Å; D217-L249 WeakPolarHBondContact O-CG 3.46Å; D217-L249 PolarHBondContact O-N 2.91Å
218R92.1Very high91.6Very high128 Ų12845 Ų4548%0.48324%0.236SC..  trans59.124-172.3-65.6-173.8169.3-148.4-3.4114.7F214 D215 H220 L249F214-R218 HydrophobicContact CD2-CG 4.23Å; D215-R218 WeakPolarHBondContact O-CA 3.28Å; D215-R218 PolarHBondContact O-N 2.94Å; D215-R218 PolarHBondContact OD1-N 3.39Å; D215-R218 VanDerWaalsContact OD1-N 3.1Å; R218-H220 PolarHBondContact O-CE1 3.24Å; R218-H220 VanDerWaalsContact O-CE1 3.25Å; R218-H220 PolarHBondContact O-ND1 3.29Å; R218-L249 HydrophobicContact CB-CG 4.31Å; R218-L249 HydrophobicContact CG-CD2 4.17Å; R218-L249 HydrophobicContact CG-CG 4.17Å
219H92.1Very high91.9Very high31 Ų3143.7 Ų43.714%0.14422%0.222CC..  trans-75.1139.3168.6-58.4102.4000110.1F214 D215 D217 H223 F224 Y257F214-H219 VanDerWaalsContact CA-O 3.3Å; F214-H219 WeakPolarHBondContact CA-O 3.35Å; D215-H219 PolarHBondContact N-O 3.46Å; D215-H219 WeakPolarHBondContact OD1-CB 3.33Å; D215-H219 IonicContact OD1-CG 3.81Å; D215-H219 PolarHBondContact OD1-N 3.16Å; D215-H219 IonicContact OD1-ND1 2.83Å; D215-H219 PolarHBondContact OD1-ND1 3.17Å; D215-H219 IonicContact OD2-CG 3.83Å; D215-H219 IonicContact OD2-ND1 3.61Å; D215-H219 PolarHBondContact OD2-ND1 2.82Å; D217-H219 WeakPolarHBondContact CB-CE1 3.18Å; D217-H219 WeakPolarHBondContact CB-ND1 3.23Å; D217-H219 PolarHBondContact O-N 2.9Å; D217-H219 IonicContact OD2-CE1 2.68Å; H219-H223 HydrophobicContact CB-CB 4.33Å; H219-F224 HydrophobicContact CB-CD2 4.34Å; H219-F224 HydrophobicContact CB-CE2 3.52Å; H219-F224 HydrophobicContact CB-CZ 3.65Å; H219-Y257 AromaticContact NE2-CZ 3.82Å; H219-Y257 PolarHBondContact NE2-OH 2.76Å
220H92.4Very high92.1Very high13 Ų1346.1 Ų46.16%0.0623%0.23CC..  trans-111.7166.1176.6-56.567.9000108.9N212 T213 R218 A222 H223 F224 L246N212-H220 PolarHBondContact O-CD2 3.27Å; T213-H220 PolarHBondContact O-CD2 2.91Å; R218-H220 PolarHBondContact O-CE1 3.24Å; R218-H220 VanDerWaalsContact O-CE1 3.25Å; R218-H220 PolarHBondContact O-ND1 3.29Å; H220-A222 PolarHBondContact O-N 3.23Å; H220-A222 VanDerWaalsContact O-N 3.1Å; H220-H223 WeakPolarHBondContact CB-ND1 3.11Å; H220-H223 AromaticContact CG-ND1 3.84Å; H220-H223 PolarHBondContact N-ND1 3.23Å; H220-H223 AromaticContact ND1-CE1 3.39Å; H220-H223 PolarHBondContact ND1-CE1 3.39Å; H220-H223 AromaticContact ND1-ND1 3.49Å; H220-H223 PolarHBondContact ND1-ND1 3.39Å; H220-H223 WeakPolarHBondContact O-CB 3.38Å; H220-H223 PolarHBondContact O-N 3.07Å; H220-F224 WeakPolarHBondContact O-CD2 3.11Å; H220-F224 PolarHBondContact O-N 2.85Å; H220-L246 WeakPolarHBondContact CD2-CD1 3.37Å; H220-L246 VanDerWaalsContact NE2-CD1 3.29Å; H220-L246 WeakPolarHBondContact NE2-CD1 3.37Å
221A93.6Very high92.3Very high0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-52.1-37.2176.700000112.8L189 M190 H223 F224 A225 L237L189-A221 HydrophobicContact CD2-CB 4.2Å; L189-A221 HydrophobicContact CG-CB 4.05Å; M190-A221 HydrophobicContact CG-CB 4.43Å; A221-H223 VanDerWaalsContact C-N 3.32Å; A221-H223 PolarHBondContact O-N 2.81Å; A221-F224 PolarHBondContact O-N 3.26Å; A221-A225 WeakPolarHBondContact O-CB 3.24Å; A221-A225 PolarHBondContact O-N 2.73Å; A221-L237 HydrophobicContact CB-CD1 3.97Å; A221-L237 HydrophobicContact CB-CD2 3.88Å
222A93.7Very high92.4Very high5 Ų545.6 Ų45.64%0.04123%0.229CC..Hα-helixtrans-63.7-32.4176.400000113.7H220 A226 L234 L237 P254H220-A222 PolarHBondContact O-N 3.23Å; H220-A222 VanDerWaalsContact O-N 3.1Å; A222-A226 WeakPolarHBondContact O-CB 3.43Å; A222-A226 PolarHBondContact O-N 3.37Å; A222-L234 HydrophobicContact CB-CD2 4.42Å; A222-L237 HydrophobicContact CB-CD1 4.31Å; A222-P254 HydrophobicContact CB-CB 4.49Å; A222-P254 HydrophobicContact CB-CG 4.07Å
223H93.8Very high92.6Very high3 Ų342.3 Ų42.31%0.01421%0.211CC..Hα-helixtrans-67.6-45.5176.6-67.390.5000111H219 H220 A221 A226 K227 L246 N252 P254 Y257H219-H223 HydrophobicContact CB-CB 4.33Å; H220-H223 WeakPolarHBondContact CB-ND1 3.11Å; H220-H223 AromaticContact CG-ND1 3.84Å; H220-H223 PolarHBondContact N-ND1 3.23Å; H220-H223 AromaticContact ND1-CE1 3.39Å; H220-H223 PolarHBondContact ND1-CE1 3.39Å; H220-H223 AromaticContact ND1-ND1 3.49Å; H220-H223 PolarHBondContact ND1-ND1 3.39Å; H220-H223 WeakPolarHBondContact O-CB 3.38Å; H220-H223 PolarHBondContact O-N 3.07Å; A221-H223 VanDerWaalsContact C-N 3.32Å; A221-H223 PolarHBondContact O-N 2.81Å; H223-A226 PolarHBondContact O-N 3.18Å; H223-K227 WeakPolarHBondContact O-CB 2.89Å; H223-K227 PolarHBondContact O-N 2.93Å; H223-L246 PolarHBondContact CE1-O 3.33Å; H223-L246 PolarHBondContact NE2-O 3.08Å; H223-N252 PolarHBondContact NE2-O 2.95Å; H223-P254 WeakPolarHBondContact NE2-CD 3.33Å; H223-Y257 HydrophobicContact CB-CD2 4.39Å; H223-Y257 HydrophobicContact CB-CE2 4.48Å; H223-Y257 AromaticContact CD2-CD2 3.75Å; H223-Y257 AromaticContact CD2-CE2 3.59Å
224F93.9Very high92.7Very high16 Ų1641.2 Ų41.27%0.0721%0.205CC..Hα-helixtrans-64.9-45.5176.6-67-71000111.6M190 R194 H219 H220 A221 A226 K227 G228M190-F224 HydrophobicContact CB-CD2 3.86Å; M190-F224 HydrophobicContact CB-CE2 3.91Å; M190-F224 HydrophobicContact CG-CD2 4.13Å; M190-F224 HydrophobicContact CG-CE2 4.08Å; M190-F224 HydrophobicContact SD-CE2 4.18Å; R194-F224 HydrophobicContact CB-CB 4.18Å; R194-F224 HydrophobicContact CB-CD1 4.23Å; R194-F224 HydrophobicContact CB-CG 4.37Å; R194-F224 HydrophobicContact CG-CD1 4.17Å; H219-F224 HydrophobicContact CB-CD2 4.34Å; H219-F224 HydrophobicContact CB-CE2 3.52Å; H219-F224 HydrophobicContact CB-CZ 3.65Å; H220-F224 WeakPolarHBondContact O-CD2 3.11Å; H220-F224 PolarHBondContact O-N 2.85Å; A221-F224 PolarHBondContact O-N 3.26Å; F224-A226 VanDerWaalsContact C-N 3.32Å; F224-A226 PolarHBondContact O-N 3.05Å; F224-K227 PolarHBondContact O-N 3.01Å; F224-G228 PolarHBondContact O-N 2.86Å
225A94.8Very high92.7Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-60-41.1176.300000112.4A221 G229 F230 I233 L234 L237A221-A225 WeakPolarHBondContact O-CB 3.24Å; A221-A225 PolarHBondContact O-N 2.73Å; A225-G229 PolarHBondContact O-N 3.03Å; A225-F230 PolarHBondContact O-N 3.47Å; A225-I233 HydrophobicContact CB-CB 4.19Å; A225-I233 HydrophobicContact CB-CG2 3.65Å; A225-L234 HydrophobicContact CB-CD2 3.84Å; A225-L234 HydrophobicContact CB-CG 4.02Å; A225-L237 HydrophobicContact CB-CD1 4.09Å
226A94.3Very high92.7Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-68.8-36.3176.500000113A222 H223 F224 G229 L234 P254 A258 F263 I270A222-A226 WeakPolarHBondContact O-CB 3.43Å; A222-A226 PolarHBondContact O-N 3.37Å; H223-A226 PolarHBondContact O-N 3.18Å; F224-A226 VanDerWaalsContact C-N 3.32Å; F224-A226 PolarHBondContact O-N 3.05Å; A226-G229 PolarHBondContact O-N 3.14Å; A226-L234 HydrophobicContact CB-CD2 4.45Å; A226-P254 HydrophobicContact CB-CB 3.96Å; A226-P254 WeakPolarHBondContact CB-O 3.3Å; A226-A258 HydrophobicContact CB-CB 4.15Å; A226-A258 WeakPolarHBondContact O-CA 3.38Å; A226-F263 WeakPolarHBondContact O-CD2 3.49Å; A226-I270 HydrophobicContact CB-CD1 3.95Å
227K93.5Very high92.8Very high134 Ų13432.8 Ų32.858%0.58316%0.163SC*.Hα-helixtrans-67.7-37175.7-173.1-179.3177.8-175.80112.3H223 F224 Y257 F263H223-K227 WeakPolarHBondContact O-CB 2.89Å; H223-K227 PolarHBondContact O-N 2.93Å; F224-K227 PolarHBondContact O-N 3.01Å; K227-Y257 HydrophobicContact CB-CD1 4.43Å; K227-Y257 HydrophobicContact CD-CD1 4.41Å; K227-Y257 HydrophobicContact CG-CD1 4.42Å; K227-F263 WeakPolarHBondContact O-CE2 3.22Å
228G91.2Very high92.9Very high31 Ų3129 Ų2932%0.3214%0.142SC..Hα-helixtrans-81.8-12.9174.500000114.4F224F224-G228 PolarHBondContact O-N 2.86Å
229G93.3Very high92.7Very high18 Ų1823 Ų2319%0.18612%0.12CC..THydrogen-bonded Turntrans75.921.9-178.700000114.1A225 A226 F231 F263 C266A225-G229 PolarHBondContact O-N 3.03Å; A226-G229 PolarHBondContact O-N 3.14Å; G229-F231 PolarHBondContact O-N 3.04Å; G229-F263 VanDerWaalsContact CA-CE2 3.44Å; G229-F263 VanDerWaalsContact CA-CG 3.5Å; G229-C266 PolarHBondContact O-SG 3.06Å
230F94.4Very high92.6Very high61 Ų6123.4 Ų23.427%0.26812%0.121SC..  trans-80.287-176.4-54.8-57.4000111.6S193 R194 G196 A225 D232 I233 L234S193-F230 VanDerWaalsContact O-CD2 3.25Å; S193-F230 WeakPolarHBondContact O-CD2 3.48Å; S193-F230 WeakPolarHBondContact O-CE2 3.31Å; R194-F230 WeakPolarHBondContact O-CE2 3.41Å; G196-F230 VanDerWaalsContact CA-CZ 3.41Å; A225-F230 PolarHBondContact O-N 3.47Å; F230-D232 VanDerWaalsContact C-N 3.34Å; F230-D232 PolarHBondContact O-N 3.23Å; F230-I233 HydrophobicContact CB-CB 3.92Å; F230-I233 HydrophobicContact CB-CD1 3.76Å; F230-I233 HydrophobicContact CB-CG1 3.92Å; F230-I233 HydrophobicContact CD2-CD1 4.19Å; F230-I233 HydrophobicContact CG-CD1 4.05Å; F230-I233 PolarHBondContact O-N 2.94Å; F230-L234 PolarHBondContact O-N 3.44Å; F230-L234 VanDerWaalsContact O-N 3.12Å
231F92.1Very high92.4Very high33 Ų3326 Ų2615%0.14514%0.135CC..Hα-helixtrans-59.1-41.4-177.2177.9-130000113.4G229 L234 K235 Y269 Y411G229-F231 PolarHBondContact O-N 3.04Å; F231-L234 PolarHBondContact O-N 3.29Å; F231-K235 VanDerWaalsContact CD1-CE 3.48Å; F231-K235 HydrophobicContact CE1-CD 4.4Å; F231-K235 HydrophobicContact CE2-CG 4.31Å; F231-K235 HydrophobicContact CZ-CD 4.31Å; F231-K235 HydrophobicContact CZ-CG 4.42Å; F231-K235 PolarHBondContact O-N 3.38Å; F231-Y269 HydrophobicContact CD2-CG 4.35Å; F231-Y269 HydrophobicContact CE2-CD1 4.29Å; F231-Y269 AromaticContact CE2-CD2 3.8Å; F231-Y269 HydrophobicContact CE2-CD2 3.8Å; F231-Y269 AromaticContact CE2-CG 3.65Å; F231-Y269 HydrophobicContact CE2-CG 3.65Å; F231-Y269 HydrophobicContact CZ-CD2 4.41Å; F231-Y411 HydrophobicContact CE1-CD1 4.47Å; F231-Y411 HydrophobicContact CE1-CG 4.23Å; F231-Y411 AromaticContact CE2-CD1 3.97Å; F231-Y411 HydrophobicContact CE2-CD1 3.97Å; F231-Y411 HydrophobicContact CE2-CE1 4.4Å; F231-Y411 HydrophobicContact CE2-CG 4.26Å; F231-Y411 AromaticContact CZ-CD1 3.59Å; F231-Y411 HydrophobicContact CZ-CD1 3.59Å; F231-Y411 HydrophobicContact CZ-CD2 4.2Å; F231-Y411 HydrophobicContact CZ-CE1 4.37Å; F231-Y411 AromaticContact CZ-CG 3.47Å; F231-Y411 HydrophobicContact CZ-CG 3.47Å; F231-Y411 VanDerWaalsContact CZ-CG 3.47Å
232D92.1Very high92.1Very high82 Ų8226.1 Ų26.144%0.43914%0.136SC..Hα-helixtrans-70.8-32.5-178.4-62.9-42.9000112.3V198 F230 K235 L236V198-D232 HydrophobicContact CG1-CB 4.42Å; V198-D232 HydrophobicContact CG2-CB 4.09Å; F230-D232 VanDerWaalsContact C-N 3.34Å; F230-D232 PolarHBondContact O-N 3.23Å; D232-K235 WeakPolarHBondContact O-CB 3.38Å; D232-K235 PolarHBondContact O-N 2.93Å; D232-K235 IonicContact OD1-NZ 2.72Å; D232-K235 PolarHBondContact OD1-NZ 2.7Å; D232-L236 PolarHBondContact O-N 3.38Å
233I93.4Very high91.7Very high0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-66.8-41.8172.6-63.1-177.4000110.5G196 V198 V201 A225 F230 K235 L236 L237G196-I233 VanDerWaalsContact CA-CD1 3.49Å; V198-I233 HydrophobicContact CG2-CG1 3.95Å; V201-I233 HydrophobicContact CG1-CG2 4.28Å; V201-I233 HydrophobicContact CG2-CD1 4.16Å; V201-I233 HydrophobicContact CG2-CG2 4.42Å; A225-I233 HydrophobicContact CB-CB 4.19Å; A225-I233 HydrophobicContact CB-CG2 3.65Å; F230-I233 HydrophobicContact CB-CB 3.92Å; F230-I233 HydrophobicContact CB-CD1 3.76Å; F230-I233 HydrophobicContact CB-CG1 3.92Å; F230-I233 HydrophobicContact CD2-CD1 4.19Å; F230-I233 HydrophobicContact CG-CD1 4.05Å; F230-I233 PolarHBondContact O-N 2.94Å; I233-K235 VanDerWaalsContact C-N 3.27Å; I233-K235 PolarHBondContact O-N 3.06Å; I233-L236 WeakPolarHBondContact O-CB 3.18Å; I233-L236 PolarHBondContact O-N 2.85Å; I233-L236 VanDerWaalsContact O-N 3.17Å; I233-L237 HydrophobicContact CG2-CD1 3.83Å; I233-L237 HydrophobicContact CG2-CG 4.06Å; I233-L237 VanDerWaalsContact O-CG 3.27Å; I233-L237 WeakPolarHBondContact O-CG 3.49Å; I233-L237 PolarHBondContact O-N 3.21Å
234L92.6Very high91.3Very high1 Ų129.2 Ų29.21%0.00515%0.152CC..Hα-helixtrans-61.4-35.1176.3-71.7169.5000112.7A222 A225 A226 F230 F231 F238 C266 Y269 I270A222-L234 HydrophobicContact CB-CD2 4.42Å; A225-L234 HydrophobicContact CB-CD2 3.84Å; A225-L234 HydrophobicContact CB-CG 4.02Å; A226-L234 HydrophobicContact CB-CD2 4.45Å; F230-L234 PolarHBondContact O-N 3.44Å; F230-L234 VanDerWaalsContact O-N 3.12Å; F231-L234 PolarHBondContact O-N 3.29Å; L234-F238 WeakPolarHBondContact O-CB 3.41Å; L234-F238 PolarHBondContact O-N 3.45Å; L234-F238 VanDerWaalsContact O-N 3.15Å; L234-C266 HydrophobicContact CD1-CB 3.88Å; L234-Y269 HydrophobicContact CB-CD1 4.18Å; L234-Y269 HydrophobicContact CB-CE1 4.22Å; L234-I270 HydrophobicContact CD1-CD1 3.85Å; L234-I270 HydrophobicContact CD1-CG1 4.15Å; L234-I270 HydrophobicContact CD2-CD1 4.34Å
235K91.8Very high90.9Very high47 Ų4729.7 Ų29.720%0.20416%0.161CC..Hα-helixtrans-65.4-47172.9-64.9172-167.4157.60111.7F231 D232 I233 F238 A239 Y269 L408F231-K235 VanDerWaalsContact CD1-CE 3.48Å; F231-K235 HydrophobicContact CE1-CD 4.4Å; F231-K235 HydrophobicContact CE2-CG 4.31Å; F231-K235 HydrophobicContact CZ-CD 4.31Å; F231-K235 HydrophobicContact CZ-CG 4.42Å; F231-K235 PolarHBondContact O-N 3.38Å; D232-K235 WeakPolarHBondContact O-CB 3.38Å; D232-K235 PolarHBondContact O-N 2.93Å; D232-K235 IonicContact OD1-NZ 2.72Å; D232-K235 PolarHBondContact OD1-NZ 2.7Å; I233-K235 VanDerWaalsContact C-N 3.27Å; I233-K235 PolarHBondContact O-N 3.06Å; K235-F238 PolarHBondContact O-N 3.32Å; K235-A239 WeakPolarHBondContact O-CB 3.43Å; K235-A239 PolarHBondContact O-N 3Å; K235-Y269 HydrophobicContact CG-CE1 4.4Å; K235-Y269 HydrophobicContact CG-CE2 4.23Å; K235-L408 HydrophobicContact CD-CD2 3.95Å; K235-L408 HydrophobicContact CG-CD2 4.05Å
236L91.9Very high90.6Very high1 Ų131.8 Ų31.81%0.00517%0.172CC..Hα-helixtrans-55.6-55.5176.9-93.8165000110.7V198 V201 R202 L205 D232 I233 F238 A239 Y240 E335V198-L236 HydrophobicContact CG1-CD1 3.57Å; V201-L236 HydrophobicContact CG1-CD1 4.34Å; R202-L236 HydrophobicContact CB-CD1 4.39Å; R202-L236 HydrophobicContact CB-CD2 4.15Å; R202-L236 HydrophobicContact CG-CD2 4.34Å; L205-L236 HydrophobicContact CD1-CB 4.3Å; L205-L236 HydrophobicContact CD1-CD2 4.36Å; D232-L236 PolarHBondContact O-N 3.38Å; I233-L236 WeakPolarHBondContact O-CB 3.18Å; I233-L236 PolarHBondContact O-N 2.85Å; I233-L236 VanDerWaalsContact O-N 3.17Å; L236-F238 VanDerWaalsContact C-N 3.29Å; L236-F238 PolarHBondContact O-N 3.33Å; L236-A239 WeakPolarHBondContact O-CB 3.39Å; L236-A239 PolarHBondContact O-N 3.03Å; L236-A239 VanDerWaalsContact O-N 3.07Å; L236-Y240 HydrophobicContact CD2-CD2 4.43Å; L236-Y240 HydrophobicContact CD2-CE2 4.01Å; L236-Y240 WeakPolarHBondContact O-CD2 3.39Å; L236-Y240 PolarHBondContact O-N 3.37Å; L236-Y240 VanDerWaalsContact O-N 3.08Å; L236-E335 HydrophobicContact CD2-CG 4.31Å; L236-E335 WeakPolarHBondContact CD2-OE1 3.4Å; L236-E335 WeakPolarHBondContact CG-OE1 3.48Å
237L92.5Very high90.4Very high2 Ų234.8 Ų34.81%0.0119%0.188CC..Hα-helixtrans-57.1-43.6-179.2-63.6171.7000111.1L189 V201 L205 V211 A221 A222 A225 I233 A239 Y240 G242L189-L237 HydrophobicContact CD1-CD2 4.29Å; L189-L237 HydrophobicContact CD2-CD2 4.22Å; L189-L237 HydrophobicContact CG-CD2 4.41Å; V201-L237 HydrophobicContact CG1-CD2 4.48Å; L205-L237 HydrophobicContact CD1-CD2 4.4Å; V211-L237 HydrophobicContact CG1-CB 4.01Å; V211-L237 HydrophobicContact CG1-CD2 3.76Å; V211-L237 HydrophobicContact CG1-CG 4.44Å; A221-L237 HydrophobicContact CB-CD1 3.97Å; A221-L237 HydrophobicContact CB-CD2 3.88Å; A222-L237 HydrophobicContact CB-CD1 4.31Å; A225-L237 HydrophobicContact CB-CD1 4.09Å; I233-L237 HydrophobicContact CG2-CD1 3.83Å; I233-L237 HydrophobicContact CG2-CG 4.06Å; I233-L237 VanDerWaalsContact O-CG 3.27Å; I233-L237 WeakPolarHBondContact O-CG 3.49Å; I233-L237 PolarHBondContact O-N 3.21Å; L237-A239 PolarHBondContact O-N 3.01Å; L237-Y240 CarbonylContact O-C 3.49Å; L237-Y240 PolarHBondContact O-N 2.89Å; L237-G242 VanDerWaalsContact O-CA 3.24Å; L237-G242 WeakPolarHBondContact O-CA 3.34Å; L237-G242 PolarHBondContact O-N 3.11Å
238F90.6Very high90.4Very high2 Ų228.6 Ų28.61%0.00916%0.161CC..Hα-helixtrans-66.2-36.7178-173-99.9000113.3L234 K235 L236 Y240 N241 V244 Y269 R273 L327 R328 D331L234-F238 WeakPolarHBondContact O-CB 3.41Å; L234-F238 PolarHBondContact O-N 3.45Å; L234-F238 VanDerWaalsContact O-N 3.15Å; K235-F238 PolarHBondContact O-N 3.32Å; L236-F238 VanDerWaalsContact C-N 3.29Å; L236-F238 PolarHBondContact O-N 3.33Å; F238-Y240 VanDerWaalsContact C-N 3.28Å; F238-Y240 PolarHBondContact O-N 3.2Å; F238-N241 PolarHBondContact O-N 3.02Å; F238-V244 HydrophobicContact CD2-CG1 4.4Å; F238-Y269 HydrophobicContact CB-CE1 4.46Å; F238-R273 HydrophobicContact CD1-CG 4.32Å; F238-R273 HydrophobicContact CD2-CB 4.03Å; F238-R273 HydrophobicContact CD2-CG 4.28Å; F238-R273 VanDerWaalsContact CE1-CD 3.43Å; F238-R273 HydrophobicContact CE1-CG 4.25Å; F238-R273 HydrophobicContact CE2-CB 3.79Å; F238-R273 HydrophobicContact CE2-CG 4.21Å; F238-R273 HydrophobicContact CG-CG 4.35Å; F238-R273 HydrophobicContact CZ-CB 4.15Å; F238-R273 HydrophobicContact CZ-CG 4.21Å; F238-L327 HydrophobicContact CE1-CB 4.37Å; F238-R328 HydrophobicContact CE1-CB 3.87Å; F238-R328 HydrophobicContact CE1-CG 4.32Å; F238-R328 HydrophobicContact CZ-CB 4.06Å; F238-D331 HydrophobicContact CD1-CB 4.19Å; F238-D331 WeakPolarHBondContact CD1-OD2 3.49Å
239A89.5Confident90.3Very high2 Ų231.8 Ų31.82%0.01717%0.171CC..Hα-helixtrans-64.8-31.2175.900000112.7K235 L236 L237 N241 E335 Y369K235-A239 WeakPolarHBondContact O-CB 3.43Å; K235-A239 PolarHBondContact O-N 3Å; L236-A239 WeakPolarHBondContact O-CB 3.39Å; L236-A239 PolarHBondContact O-N 3.03Å; L236-A239 VanDerWaalsContact O-N 3.07Å; L237-A239 PolarHBondContact O-N 3.01Å; A239-N241 VanDerWaalsContact C-N 3.33Å; A239-N241 PolarHBondContact O-N 3.24Å; A239-E335 HydrophobicContact CB-CB 4.48Å; A239-Y369 PolarHBondContact O-OH 3.12Å
240Y89.3Confident90.1Very high40 Ų4032.7 Ų32.716%0.15717%0.174CC..THydrogen-bonded Turntrans-94.933.1174.8-73.9-95000113L205 E206 V211 L236 L237 F238 G242 R336L205-Y240 HydrophobicContact CB-CD1 3.83Å; L205-Y240 HydrophobicContact CB-CD2 3.99Å; L205-Y240 HydrophobicContact CB-CE1 3.83Å; L205-Y240 HydrophobicContact CB-CE2 3.99Å; L205-Y240 HydrophobicContact CB-CG 3.9Å; L205-Y240 HydrophobicContact CD1-CD2 3.64Å; L205-Y240 HydrophobicContact CD1-CE2 4.11Å; L205-Y240 HydrophobicContact CD1-CG 3.99Å; L205-Y240 HydrophobicContact CD2-CG 4.32Å; L205-Y240 HydrophobicContact CG-CD2 4.33Å; L205-Y240 HydrophobicContact CG-CG 4.29Å; E206-Y240 WeakPolarHBondContact CG-OH 3.26Å; V211-Y240 VanDerWaalsContact CG2-O 3.3Å; V211-Y240 WeakPolarHBondContact CG2-O 3.33Å; L236-Y240 HydrophobicContact CD2-CD2 4.43Å; L236-Y240 HydrophobicContact CD2-CE2 4.01Å; L236-Y240 WeakPolarHBondContact O-CD2 3.39Å; L236-Y240 PolarHBondContact O-N 3.37Å; L236-Y240 VanDerWaalsContact O-N 3.08Å; L237-Y240 CarbonylContact O-C 3.49Å; L237-Y240 PolarHBondContact O-N 2.89Å; F238-Y240 VanDerWaalsContact C-N 3.28Å; F238-Y240 PolarHBondContact O-N 3.2Å; Y240-G242 VanDerWaalsContact C-N 3.32Å; Y240-G242 PolarHBondContact O-N 2.72Å; Y240-R336 VanDerWaalsContact OH-CZ 3.26Å; Y240-R336 PolarHBondContact OH-NH2 2.83Å
241N87.6Confident89.8Confident69 Ų6930.2 Ų30.237%0.36917%0.166SC..THydrogen-bonded Turntrans66.324.9175.4-156.429.2000115.9N212 F238 A239 R328 Y369N212-N241 PolarHBondContact ND2-O 3.31Å; F238-N241 PolarHBondContact O-N 3.02Å; A239-N241 VanDerWaalsContact C-N 3.33Å; A239-N241 PolarHBondContact O-N 3.24Å; N241-R328 PolarHBondContact OD1-NE 3.11Å; N241-R328 PolarHBondContact OD1-NH1 2.84Å; N241-Y369 HydrophobicContact CB-CE1 3.84Å
242G86.8Confident89.8Confident2 Ų229.3 Ų29.32%0.02116%0.163CC..  trans-67.4131.5171.500000112.4N212 L237 Y240N212-G242 WeakPolarHBondContact OD1-CA 3.49Å; L237-G242 VanDerWaalsContact O-CA 3.24Å; L237-G242 WeakPolarHBondContact O-CA 3.34Å; L237-G242 PolarHBondContact O-N 3.11Å; Y240-G242 VanDerWaalsContact C-N 3.32Å; Y240-G242 PolarHBondContact O-N 2.72Å
243D85.7Confident89.9Confident69 Ų6925.5 Ų25.537%0.36914%0.142SC..  trans-89.7121.3173.7-174.56.4000110.7N212 G245 L246N212-D243 PolarHBondContact OD1-N 3.16Å; D243-G245 PolarHBondContact OD1-N 3.44Å; D243-L246 HydrophobicContact CB-CD1 3.89Å; D243-L246 HydrophobicContact CB-CD2 4.33Å; D243-L246 HydrophobicContact CB-CG 3.83Å; D243-L246 WeakPolarHBondContact OD2-CD2 3.49Å
244V85.7Confident89.9Confident3 Ų325.5 Ų25.52%0.01814%0.142CC..SBendtrans-92.90.8-179.5-62.40000112.8F238 P254 I270 R273F238-V244 HydrophobicContact CD2-CG1 4.4Å; V244-P254 WeakPolarHBondContact O-CD 3.27Å; V244-I270 HydrophobicContact CB-CG2 4.24Å; V244-I270 HydrophobicContact CG2-CG2 4.48Å; V244-R273 HydrophobicContact CG2-CB 3.95Å
245G85.5Confident90Very high26 Ų2625.5 Ų25.527%0.26814%0.142SC..SBendtrans-96.5-5.9177.700000114.9D243D243-G245 PolarHBondContact OD1-N 3.44Å
246L88.1Confident90.1Very high44 Ų4423.2 Ų23.223%0.2313%0.133CC..  trans-63.1151.5-177-60.1173.6000111.8N212 H220 H223 D243 P254N212-L246 HydrophobicContact CB-CD1 4.37Å; H220-L246 WeakPolarHBondContact CD2-CD1 3.37Å; H220-L246 VanDerWaalsContact NE2-CD1 3.29Å; H220-L246 WeakPolarHBondContact NE2-CD1 3.37Å; H223-L246 PolarHBondContact CE1-O 3.33Å; H223-L246 PolarHBondContact NE2-O 3.08Å; D243-L246 HydrophobicContact CB-CD1 3.89Å; D243-L246 HydrophobicContact CB-CD2 4.33Å; D243-L246 HydrophobicContact CB-CG 3.83Å; D243-L246 WeakPolarHBondContact OD2-CD2 3.49Å; L246-P254 VanDerWaalsContact O-CD 3.24Å; L246-P254 WeakPolarHBondContact O-CD 3.47Å
247I91.5Very high90.2Very high63 Ų6324.3 Ų24.332%0.32314%0.137SC..  trans-112.6137.7-177.255.4171.8000110.8T253 W279I247-T253 HydrophobicContact CG2-CG2 3.78Å; I247-W279 HydrophobicContact CD1-CZ2 4.11Å; I247-W279 HydrophobicContact CG2-CZ2 4.35Å
248S92.4Very high90.3Very high4 Ų424.2 Ų24.23%0.02814%0.136CC..  trans-79.2171.1167.673.50000111.6S250 G251 N252 Y257S248-S250 PolarHBondContact O-N 2.71Å; S248-S250 PolarHBondContact OG-OG 3.21Å; S248-G251 WeakPolarHBondContact O-CA 3.33Å; S248-G251 PolarHBondContact O-N 3.34Å; S248-N252 PolarHBondContact N-O 3.28Å; S248-N252 PolarHBondContact OG-O 3.1Å; S248-Y257 PolarHBondContact OG-OH 3.1Å; S248-Y257 VanDerWaalsContact OG-OH 3.1Å
249L89.8Confident90.5Very high98 Ų9824.1 Ų24.151%0.51314%0.136SC..THydrogen-bonded Turntrans-56.2-31.9176.2-78.7-176.4000112.7N216 D217 R218 G251 L282N216-L249 WeakPolarHBondContact O-CD1 3.46Å; D217-L249 WeakPolarHBondContact O-CB 3.25Å; D217-L249 WeakPolarHBondContact O-CG 3.46Å; D217-L249 PolarHBondContact O-N 2.91Å; R218-L249 HydrophobicContact CB-CG 4.31Å; R218-L249 HydrophobicContact CG-CD2 4.17Å; R218-L249 HydrophobicContact CG-CG 4.17Å; L249-G251 PolarHBondContact O-N 3.49Å; L249-G251 VanDerWaalsContact O-N 3.12Å; L249-L282 WeakPolarHBondContact O-CD1 3.44Å
250S87.8Confident90.6Very high38 Ų3828.9 Ų28.927%0.26616%0.159SC..THydrogen-bonded Turntrans-70.70.417566.10000114.4S248 N252 Y257 L282S248-S250 PolarHBondContact O-N 2.71Å; S248-S250 PolarHBondContact OG-OG 3.21Å; S250-N252 PolarHBondContact O-N 2.57Å; S250-N252 WeakPolarHBondContact OG-CB 3.12Å; S250-N252 PolarHBondContact OG-ND2 3.41Å; S250-Y257 PolarHBondContact OG-OH 3.29Å; S250-L282 WeakPolarHBondContact O-CG 3.24Å; S250-L282 PolarHBondContact O-N 3.06Å; S250-L282 VanDerWaalsContact O-N 3.16Å
251G89.8Confident90.7Very high9 Ų928.4 Ų28.49%0.09317%0.167CC..SBendtrans71.67.9-173.600000113.7S248 L249 W279 N281S248-G251 WeakPolarHBondContact O-CA 3.33Å; S248-G251 PolarHBondContact O-N 3.34Å; L249-G251 PolarHBondContact O-N 3.49Å; L249-G251 VanDerWaalsContact O-N 3.12Å; G251-W279 PolarHBondContact O-NE1 3.3Å; G251-N281 WeakPolarHBondContact O-CA 3.33Å
252N92.3Very high91Very high14 Ų1426 Ų268%0.07516%0.157CC..  trans-83.2129.8179.4-72.6-45.2000110.2H223 S248 S250 H256 Y257 N281H223-N252 PolarHBondContact NE2-O 2.95Å; S248-N252 PolarHBondContact N-O 3.28Å; S248-N252 PolarHBondContact OG-O 3.1Å; S250-N252 PolarHBondContact O-N 2.57Å; S250-N252 WeakPolarHBondContact OG-CB 3.12Å; S250-N252 PolarHBondContact OG-ND2 3.41Å; N252-H256 HydrophobicContact CB-CB 3.9Å; N252-Y257 HydrophobicContact CB-CD2 4.14Å; N252-Y257 HydrophobicContact CB-CE2 3.44Å; N252-Y257 VanDerWaalsContact CB-CE2 3.44Å; N252-N281 WeakPolarHBondContact OD1-CB 2.96Å; N252-N281 PolarHBondContact OD1-ND2 3.2Å
253T93.3Very high91.3Very high2 Ų229.2 Ų29.21%0.01217%0.171CC..  trans-83.1165.9166.763.40000110.7I247 L255 H256 Y257 W279I247-T253 HydrophobicContact CG2-CG2 3.78Å; T253-L255 PolarHBondContact O-N 3.43Å; T253-H256 PolarHBondContact N-ND1 3.45Å; T253-H256 VanDerWaalsContact N-ND1 3.18Å; T253-H256 WeakPolarHBondContact O-CB 3.45Å; T253-H256 PolarHBondContact O-N 2.92Å; T253-H256 PolarHBondContact OG1-ND1 3.19Å; T253-Y257 WeakPolarHBondContact O-CD2 3.46Å; T253-Y257 PolarHBondContact O-N 2.73Å; T253-W279 HydrophobicContact CG2-CG 4.39Å
254P94.2Very high91.6Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-52.7-32.7172.6-28.136000112.6A222 H223 A226 V244 L246 H256 Y257 A258 I270A222-P254 HydrophobicContact CB-CB 4.49Å; A222-P254 HydrophobicContact CB-CG 4.07Å; H223-P254 WeakPolarHBondContact NE2-CD 3.33Å; A226-P254 HydrophobicContact CB-CB 3.96Å; A226-P254 WeakPolarHBondContact CB-O 3.3Å; V244-P254 WeakPolarHBondContact O-CD 3.27Å; L246-P254 VanDerWaalsContact O-CD 3.24Å; L246-P254 WeakPolarHBondContact O-CD 3.47Å; P254-H256 VanDerWaalsContact C-N 3.33Å; P254-H256 PolarHBondContact O-N 3.27Å; P254-Y257 PolarHBondContact O-N 2.97Å; P254-A258 PolarHBondContact O-N 2.95Å; P254-I270 HydrophobicContact CB-CD1 4.2Å
255L94.5Very high91.9Very high0 Ų031 Ų310%018%0.183CC..Hα-helixtrans-64.5-33.8175.9-172.259.9000113.1T253 A259 C267 I270 A271 L277 P287 I303T253-L255 PolarHBondContact O-N 3.43Å; L255-A259 WeakPolarHBondContact O-CB 3.42Å; L255-A259 PolarHBondContact O-N 3.26Å; L255-C267 HydrophobicContact CD1-CB 4.04Å; L255-C267 WeakPolarHBondContact CD1-O 3.46Å; L255-I270 HydrophobicContact CB-CG2 3.83Å; L255-I270 HydrophobicContact CD1-CB 4.24Å; L255-I270 HydrophobicContact CD1-CG2 4.25Å; L255-A271 HydrophobicContact CD2-CB 4.46Å; L255-L277 HydrophobicContact CD2-CD2 3.38Å; L255-P287 HydrophobicContact CB-CB 4.47Å; L255-P287 HydrophobicContact CB-CG 4.44Å; L255-P287 HydrophobicContact CD2-CB 4Å; L255-P287 HydrophobicContact CD2-CG 3.93Å; L255-P287 HydrophobicContact CG-CB 3.79Å; L255-P287 HydrophobicContact CG-CG 4.08Å; L255-I303 HydrophobicContact CD1-CG1 4.44Å
256H93.8Very high92.2Very high0 Ų029.9 Ų29.90%017%0.172CC..Hα-helixtrans-64.8-43.4174.4-71.183000111N252 T253 P254 A259 M260 K285 P287N252-H256 HydrophobicContact CB-CB 3.9Å; T253-H256 PolarHBondContact N-ND1 3.45Å; T253-H256 VanDerWaalsContact N-ND1 3.18Å; T253-H256 WeakPolarHBondContact O-CB 3.45Å; T253-H256 PolarHBondContact O-N 2.92Å; T253-H256 PolarHBondContact OG1-ND1 3.19Å; P254-H256 VanDerWaalsContact C-N 3.33Å; P254-H256 PolarHBondContact O-N 3.27Å; H256-A259 WeakPolarHBondContact O-CB 3.19Å; H256-A259 PolarHBondContact O-N 2.94Å; H256-M260 WeakPolarHBondContact O-CB 3.44Å; H256-M260 PolarHBondContact O-N 3.39Å; H256-K285 PolarHBondContact NE2-O 3.48Å; H256-P287 VanDerWaalsContact CE1-CG 3.48Å; H256-P287 WeakPolarHBondContact CE1-CG 3.38Å; H256-P287 VanDerWaalsContact NE2-CD 3.33Å; H256-P287 WeakPolarHBondContact NE2-CD 3.37Å
257Y93.9Very high92.4Very high23 Ų2327.8 Ų27.89%0.0916%0.161CC..Hα-helixtrans-67.4-42.1177-68-78000112.3H219 H223 K227 S248 S250 N252 T253 P254 A259 M260 G261H219-Y257 AromaticContact NE2-CZ 3.82Å; H219-Y257 PolarHBondContact NE2-OH 2.76Å; H223-Y257 HydrophobicContact CB-CD2 4.39Å; H223-Y257 HydrophobicContact CB-CE2 4.48Å; H223-Y257 AromaticContact CD2-CD2 3.75Å; H223-Y257 AromaticContact CD2-CE2 3.59Å; K227-Y257 HydrophobicContact CB-CD1 4.43Å; K227-Y257 HydrophobicContact CD-CD1 4.41Å; K227-Y257 HydrophobicContact CG-CD1 4.42Å; S248-Y257 PolarHBondContact OG-OH 3.1Å; S248-Y257 VanDerWaalsContact OG-OH 3.1Å; S250-Y257 PolarHBondContact OG-OH 3.29Å; N252-Y257 HydrophobicContact CB-CD2 4.14Å; N252-Y257 HydrophobicContact CB-CE2 3.44Å; N252-Y257 VanDerWaalsContact CB-CE2 3.44Å; T253-Y257 WeakPolarHBondContact O-CD2 3.46Å; T253-Y257 PolarHBondContact O-N 2.73Å; P254-Y257 PolarHBondContact O-N 2.97Å; Y257-A259 VanDerWaalsContact C-N 3.28Å; Y257-A259 PolarHBondContact O-N 2.99Å; Y257-M260 WeakPolarHBondContact O-CB 3.44Å; Y257-M260 PolarHBondContact O-N 3.16Å; Y257-G261 PolarHBondContact O-N 3.19Å
258A94.6Very high92.3Very high0 Ų026.4 Ų26.40%015%0.153CC..Hα-helixtrans-62.1-36.817400000112.3A226 P254 G262 F263 C266 C267 I270A226-A258 HydrophobicContact CB-CB 4.15Å; A226-A258 WeakPolarHBondContact O-CA 3.38Å; P254-A258 PolarHBondContact O-N 2.95Å; A258-G262 PolarHBondContact O-N 3.33Å; A258-G262 VanDerWaalsContact O-N 3.09Å; A258-F263 PolarHBondContact O-N 3.47Å; A258-C266 HydrophobicContact CB-CB 4.18Å; A258-C267 VanDerWaalsContact C-SG 3.52Å; A258-I270 HydrophobicContact CB-CD1 4.04Å
259A94.1Very high92.3Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-68.6-37.7175.300000112.4L255 H256 Y257 G262 P287 V290 A291 F296 I303L255-A259 WeakPolarHBondContact O-CB 3.42Å; L255-A259 PolarHBondContact O-N 3.26Å; H256-A259 WeakPolarHBondContact O-CB 3.19Å; H256-A259 PolarHBondContact O-N 2.94Å; Y257-A259 VanDerWaalsContact C-N 3.28Å; Y257-A259 PolarHBondContact O-N 2.99Å; A259-G262 PolarHBondContact O-N 3.39Å; A259-P287 HydrophobicContact CB-CB 4.43Å; A259-P287 VanDerWaalsContact CB-O 3.28Å; A259-P287 WeakPolarHBondContact CB-O 3.45Å; A259-V290 HydrophobicContact CB-CG1 4.48Å; A259-A291 HydrophobicContact CB-CB 4Å; A259-F296 WeakPolarHBondContact O-CD2 3.25Å; A259-I303 HydrophobicContact CB-CD1 4.06Å
260M92.6Very high92.4Very high102 Ų10221.6 Ų21.650%0.50213%0.127SC..Hα-helixtrans-66-36.4175.2-173.7-175.9-70.200112.1H256 Y257 V290 F296H256-M260 WeakPolarHBondContact O-CB 3.44Å; H256-M260 PolarHBondContact O-N 3.39Å; Y257-M260 WeakPolarHBondContact O-CB 3.44Å; Y257-M260 PolarHBondContact O-N 3.16Å; M260-V290 HydrophobicContact CB-CG1 3.98Å; M260-F296 WeakPolarHBondContact O-CE2 3.47Å
261G91.4Very high92.4Very high31 Ų3120.4 Ų20.432%0.3212%0.12SC..THydrogen-bonded Turntrans-83.5-6.617400000114.8Y257 F263Y257-G261 PolarHBondContact O-N 3.19Å; G261-F263 VanDerWaalsContact C-N 3.3Å; G261-F263 PolarHBondContact O-N 3.39Å
262G92.8Very high92.3Very high17 Ų1721.2 Ų21.218%0.17512%0.121CC..THydrogen-bonded Turntrans73.315.1179.300000115.5A258 A259 A264A258-G262 PolarHBondContact O-N 3.33Å; A258-G262 VanDerWaalsContact O-N 3.09Å; A259-G262 PolarHBondContact O-N 3.39Å; G262-A264 PolarHBondContact O-N 3.27Å
263F94.3Very high92Very high70 Ų7020.7 Ų20.731%0.30712%0.118SC..  trans-76.591.5-175.6-54.3-63.1000111.6A226 K227 G229 A258 G261 D265 C266 C267A226-F263 WeakPolarHBondContact O-CD2 3.49Å; K227-F263 WeakPolarHBondContact O-CE2 3.22Å; G229-F263 VanDerWaalsContact CA-CE2 3.44Å; G229-F263 VanDerWaalsContact CA-CG 3.5Å; A258-F263 PolarHBondContact O-N 3.47Å; G261-F263 VanDerWaalsContact C-N 3.3Å; G261-F263 PolarHBondContact O-N 3.39Å; F263-D265 PolarHBondContact O-N 3.19Å; F263-C266 HydrophobicContact CB-CB 3.81Å; F263-C266 PolarHBondContact O-N 3.1Å; F263-C267 WeakPolarHBondContact O-CB 3.39Å; F263-C267 PolarHBondContact O-N 3.3Å; F263-C267 PolarHBondContact O-SG 2.91Å
264A91.8Very high91.2Very high23 Ų2322.7 Ų22.719%0.1914%0.138CC..Hα-helixtrans-61.9-39.5-172.200000114.2G262 C267 K268 A298G262-A264 PolarHBondContact O-N 3.27Å; A264-C267 PolarHBondContact O-N 3.04Å; A264-K268 WeakPolarHBondContact O-CB 3.19Å; A264-K268 PolarHBondContact O-N 3.08Å; A264-A298 HydrophobicContact CB-CB 4.05Å
265D90.9Very high90.7Very high86 Ų8623 Ų2346%0.4614%0.141SC..Hα-helixtrans-71.4-40.4179.8-69.1-39.9000111.8F263 K268 Y269F263-D265 PolarHBondContact O-N 3.19Å; D265-K268 PolarHBondContact O-N 3.37Å; D265-Y269 WeakPolarHBondContact O-CB 3.36Å; D265-Y269 PolarHBondContact O-N 2.89Å
266C92.3Very high90.2Very high3 Ų328.2 Ų28.22%0.0217%0.169CC..Hα-helixtrans-62.2-44.5172.3-59.20000111.1G229 L234 A258 F263 K268 Y269 I270G229-C266 PolarHBondContact O-SG 3.06Å; L234-C266 HydrophobicContact CD1-CB 3.88Å; A258-C266 HydrophobicContact CB-CB 4.18Å; F263-C266 HydrophobicContact CB-CB 3.81Å; F263-C266 PolarHBondContact O-N 3.1Å; C266-K268 VanDerWaalsContact C-N 3.35Å; C266-K268 PolarHBondContact O-N 2.84Å; C266-Y269 PolarHBondContact O-N 2.91Å; C266-I270 WeakPolarHBondContact O-CB 3.25Å; C266-I270 VanDerWaalsContact O-CG1 3.31Å; C266-I270 WeakPolarHBondContact O-CG1 3.49Å; C266-I270 PolarHBondContact O-N 2.72Å
267C92Very high89.8Confident0 Ų029 Ų290%017%0.173CC..Hα-helixtrans-59.6-44.7174.7-70.10000112L255 A258 F263 A264 Y269 A271 I303L255-C267 HydrophobicContact CD1-CB 4.04Å; L255-C267 WeakPolarHBondContact CD1-O 3.46Å; A258-C267 VanDerWaalsContact C-SG 3.52Å; F263-C267 WeakPolarHBondContact O-CB 3.39Å; F263-C267 PolarHBondContact O-N 3.3Å; F263-C267 PolarHBondContact O-SG 2.91Å; A264-C267 PolarHBondContact O-N 3.04Å; C267-Y269 VanDerWaalsContact C-N 3.35Å; C267-A271 WeakPolarHBondContact O-CB 3.49Å; C267-A271 PolarHBondContact O-N 2.88Å; C267-A271 VanDerWaalsContact O-N 3.11Å; C267-I303 HydrophobicContact CB-CD1 4.36Å; C267-I303 HydrophobicContact CB-CG1 4.08Å
268K90.8Very high89.4Confident35 Ų3535.3 Ų35.315%0.15220%0.201CC..Hα-helixtrans-62.1-43.5176.7-179.7-171.2164.6-139.90110.9A264 D265 C266 Q272 E302 S410 Y411A264-K268 WeakPolarHBondContact O-CB 3.19Å; A264-K268 PolarHBondContact O-N 3.08Å; D265-K268 PolarHBondContact O-N 3.37Å; C266-K268 VanDerWaalsContact C-N 3.35Å; C266-K268 PolarHBondContact O-N 2.84Å; K268-Q272 VanDerWaalsContact O-CG 3.3Å; K268-Q272 WeakPolarHBondContact O-CG 3.29Å; K268-Q272 PolarHBondContact O-N 3.47Å; K268-E302 HydrophobicContact CB-CB 4.22Å; K268-E302 HydrophobicContact CB-CG 4.46Å; K268-S410 PolarHBondContact NZ-O 3.23Å; K268-S410 PolarHBondContact NZ-OG 3.05Å; K268-Y411 HydrophobicContact CB-CE1 4.13Å; K268-Y411 HydrophobicContact CD-CD1 4.11Å; K268-Y411 HydrophobicContact CD-CE1 3.62Å; K268-Y411 HydrophobicContact CG-CE1 3.76Å
269Y91.3Very high89.2Confident0 Ų040.5 Ų40.50%022%0.22CC..Hα-helixtrans-67.4-54-177.4-175.7-104.8000112.5F231 L234 K235 F238 D265 C266 C267 A271 Q272 R273 D331 L408 Y411F231-Y269 HydrophobicContact CD2-CG 4.35Å; F231-Y269 HydrophobicContact CE2-CD1 4.29Å; F231-Y269 AromaticContact CE2-CD2 3.8Å; F231-Y269 HydrophobicContact CE2-CD2 3.8Å; F231-Y269 AromaticContact CE2-CG 3.65Å; F231-Y269 HydrophobicContact CE2-CG 3.65Å; F231-Y269 HydrophobicContact CZ-CD2 4.41Å; L234-Y269 HydrophobicContact CB-CD1 4.18Å; L234-Y269 HydrophobicContact CB-CE1 4.22Å; K235-Y269 HydrophobicContact CG-CE1 4.4Å; K235-Y269 HydrophobicContact CG-CE2 4.23Å; F238-Y269 HydrophobicContact CB-CE1 4.46Å; D265-Y269 WeakPolarHBondContact O-CB 3.36Å; D265-Y269 PolarHBondContact O-N 2.89Å; C266-Y269 PolarHBondContact O-N 2.91Å; C267-Y269 VanDerWaalsContact C-N 3.35Å; Y269-A271 VanDerWaalsContact C-N 3.28Å; Y269-A271 PolarHBondContact O-N 3.39Å; Y269-Q272 PolarHBondContact O-N 3.15Å; Y269-R273 HydrophobicContact CD1-CG 4.48Å; Y269-R273 HydrophobicContact CD2-CG 4.46Å; Y269-R273 HydrophobicContact CE1-CG 4.12Å; Y269-R273 HydrophobicContact CE2-CG 4.09Å; Y269-R273 WeakPolarHBondContact O-CG 3.41Å; Y269-R273 PolarHBondContact O-N 3.47Å; Y269-D331 PolarHBondContact OH-OD2 3.23Å; Y269-L408 HydrophobicContact CE2-CD2 4.01Å; Y269-Y411 WeakPolarHBondContact CA-OH 3.17Å; Y269-Y411 HydrophobicContact CD2-CE1 4.17Å; Y269-Y411 HydrophobicContact CD2-CE2 4.1Å; Y269-Y411 AromaticContact CD2-CZ 3.78Å
270I91.2Very high89Confident0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-58.4-42.6179.2-65.3165.1000110.5A226 L234 V244 P254 L255 A258 C266 Q272 R273 C275A226-I270 HydrophobicContact CB-CD1 3.95Å; L234-I270 HydrophobicContact CD1-CD1 3.85Å; L234-I270 HydrophobicContact CD1-CG1 4.15Å; L234-I270 HydrophobicContact CD2-CD1 4.34Å; V244-I270 HydrophobicContact CB-CG2 4.24Å; V244-I270 HydrophobicContact CG2-CG2 4.48Å; P254-I270 HydrophobicContact CB-CD1 4.2Å; L255-I270 HydrophobicContact CB-CG2 3.83Å; L255-I270 HydrophobicContact CD1-CB 4.24Å; L255-I270 HydrophobicContact CD1-CG2 4.25Å; A258-I270 HydrophobicContact CB-CD1 4.04Å; C266-I270 WeakPolarHBondContact O-CB 3.25Å; C266-I270 VanDerWaalsContact O-CG1 3.31Å; C266-I270 WeakPolarHBondContact O-CG1 3.49Å; C266-I270 PolarHBondContact O-N 2.72Å; I270-Q272 PolarHBondContact O-N 3.29Å; I270-R273 PolarHBondContact O-N 2.66Å; I270-C275 HydrophobicContact CG2-CB 3.6Å
271A89.2Confident88.9Confident14 Ų1441.9 Ų41.912%0.11622%0.224CC..Hα-helixtrans-63.8-26178.100000114L255 C267 Y269 L277 A306L255-A271 HydrophobicContact CD2-CB 4.46Å; C267-A271 WeakPolarHBondContact O-CB 3.49Å; C267-A271 PolarHBondContact O-N 2.88Å; C267-A271 VanDerWaalsContact O-N 3.11Å; Y269-A271 VanDerWaalsContact C-N 3.28Å; Y269-A271 PolarHBondContact O-N 3.39Å; A271-L277 HydrophobicContact CB-CD2 3.6Å; A271-A306 HydrophobicContact CB-CB 3.6Å
272Q86.9Confident88.9Confident25 Ų2546.2 Ų46.212%0.11724%0.239CC..Hα-helixtrans-86.2-20.8176.9-76.2-173.48.100113.6K268 Y269 I270 S405 F406 Y411K268-Q272 VanDerWaalsContact O-CG 3.3Å; K268-Q272 WeakPolarHBondContact O-CG 3.29Å; K268-Q272 PolarHBondContact O-N 3.47Å; Y269-Q272 PolarHBondContact O-N 3.15Å; I270-Q272 PolarHBondContact O-N 3.29Å; Q272-S405 PolarHBondContact NE2-O 3.42Å; Q272-S405 PolarHBondContact OE1-O 2.68Å; Q272-F406 HydrophobicContact CB-CD1 3.71Å; Q272-F406 HydrophobicContact CB-CE1 3.63Å; Q272-F406 HydrophobicContact CG-CD1 3.8Å; Q272-F406 HydrophobicContact CG-CE1 3.52Å; Q272-F406 HydrophobicContact CG-CZ 4.11Å; Q272-F406 VanDerWaalsContact OE1-CA 3.31Å; Q272-Y411 PolarHBondContact OE1-OH 2.86Å
273R86.4Confident88.7Confident4 Ų450.4 Ų50.42%0.01526%0.258CS..THydrogen-bonded Turntrans-97.617-174.6-66.1-58.6-171.9-99.17.4114F238 V244 Y269 I270 L324 D331 F406F238-R273 HydrophobicContact CD1-CG 4.32Å; F238-R273 HydrophobicContact CD2-CB 4.03Å; F238-R273 HydrophobicContact CD2-CG 4.28Å; F238-R273 VanDerWaalsContact CE1-CD 3.43Å; F238-R273 HydrophobicContact CE1-CG 4.25Å; F238-R273 HydrophobicContact CE2-CB 3.79Å; F238-R273 HydrophobicContact CE2-CG 4.21Å; F238-R273 HydrophobicContact CG-CG 4.35Å; F238-R273 HydrophobicContact CZ-CB 4.15Å; F238-R273 HydrophobicContact CZ-CG 4.21Å; V244-R273 HydrophobicContact CG2-CB 3.95Å; Y269-R273 HydrophobicContact CD1-CG 4.48Å; Y269-R273 HydrophobicContact CD2-CG 4.46Å; Y269-R273 HydrophobicContact CE1-CG 4.12Å; Y269-R273 HydrophobicContact CE2-CG 4.09Å; Y269-R273 WeakPolarHBondContact O-CG 3.41Å; Y269-R273 PolarHBondContact O-N 3.47Å; I270-R273 PolarHBondContact O-N 2.66Å; R273-L324 VanDerWaalsContact O-CD2 3.31Å; R273-L324 WeakPolarHBondContact O-CD2 3.42Å; R273-D331 IonicContact CZ-OD1 3.31Å; R273-D331 IonicContact CZ-OD2 2.67Å; R273-D331 VanDerWaalsContact CZ-OD2 3.25Å; R273-D331 IonicContact NE-OD2 3.77Å; R273-D331 PolarHBondContact NE-OD2 2.98Å; R273-D331 VanDerWaalsContact NH2-CG 3.25Å; R273-D331 IonicContact NH2-OD1 3.14Å; R273-D331 PolarHBondContact NH2-OD1 3.02Å; R273-D331 IonicContact NH2-OD2 3.86Å; R273-D331 PolarHBondContact NH2-OD2 3.45Å; R273-F406 PolarHBondContact NH1-O 3.24Å; R273-F406 PolarHBondContact NH2-O 3.24Å; R273-F406 VanDerWaalsContact NH2-O 3.09Å
274G76.9Confident88.5Confident43 Ų4354.2 Ų54.244%0.44328%0.276SS..THydrogen-bonded Turntrans107.17.5166.500000116.2
275C83.7Confident88.5Confident7 Ų756.1 Ų56.15%0.04728%0.28CS..  trans-69.1136.7175.5-178.40000112.1I270 L277I270-C275 HydrophobicContact CG2-CB 3.6Å; C275-L277 PolarHBondContact O-N 3.13Å; C275-L277 VanDerWaalsContact O-N 3.16Å
276D82.9Confident88.6Confident110 Ų11053.8 Ų53.859%0.58827%0.269SS*.  trans-68.2110.4175.7-82.8-32.4000112.2K278 W279D276-K278 VanDerWaalsContact C-N 3.27Å; D276-K278 PolarHBondContact O-N 3.35Å; D276-W279 HydrophobicContact CB-CB 4.08Å
277L86.4Confident88.6Confident16 Ų1653.6 Ų53.68%0.08427%0.268CS..THydrogen-bonded Turntrans-75-19.2-177.7-52.5179.6000113.1L255 A271 C275 A306 E307 A310L255-L277 HydrophobicContact CD2-CD2 3.38Å; A271-L277 HydrophobicContact CB-CD2 3.6Å; C275-L277 PolarHBondContact O-N 3.13Å; C275-L277 VanDerWaalsContact O-N 3.16Å; L277-A306 HydrophobicContact CD1-CB 3.79Å; L277-E307 HydrophobicContact CB-CG 4.1Å; L277-E307 HydrophobicContact CD1-CB 4.42Å; L277-E307 HydrophobicContact CD1-CG 4.03Å; L277-A310 HydrophobicContact CD1-CB 4.31Å
278K85.6Confident88.7Confident156 Ų15656.4 Ų56.468%0.67828%0.278SS*.THydrogen-bonded Turntrans-96-7.9-177.6-64.8-178.3-177.8173.90113D276 N311D276-K278 VanDerWaalsContact C-N 3.27Å; D276-K278 PolarHBondContact O-N 3.35Å; K278-N311 PolarHBondContact NZ-OD1 3.07Å
279W89.4Confident88.7Confident108 Ų10856.1 Ų56.141%0.40928%0.282SS..  trans-60143178.7-170-97.5000110.3I247 G251 T253 D276I247-W279 HydrophobicContact CD1-CZ2 4.11Å; I247-W279 HydrophobicContact CG2-CZ2 4.35Å; G251-W279 PolarHBondContact O-NE1 3.3Å; T253-W279 HydrophobicContact CG2-CG 4.39Å; D276-W279 HydrophobicContact CB-CB 4.08Å
280K91.3Very high88.8Confident123 Ų12356.8 Ų56.854%0.53529%0.286SS..  trans-115.8134.9177.9-67.4-179.6-179.9-176.10108.7K285 T286K280-K285 WeakPolarHBondContact CA-O 3.49Å; K280-T286 HydrophobicContact CG-CG2 3.87Å
281N90.4Very high88.9Confident9 Ų956.8 Ų56.85%0.04829%0.286CS..  trans-72.4-178.7171.872.1-5.8000111.7G251 N252 D283 H284 K285G251-N281 WeakPolarHBondContact O-CA 3.33Å; N252-N281 WeakPolarHBondContact OD1-CB 2.96Å; N252-N281 PolarHBondContact OD1-ND2 3.2Å; N281-D283 PolarHBondContact O-N 3.4Å; N281-D283 WeakPolarHBondContact OD1-CB 3.31Å; N281-D283 PolarHBondContact OD1-N 3.12Å; N281-D283 VanDerWaalsContact OD1-N 3.16Å; N281-H284 WeakPolarHBondContact O-CA 3.44Å; N281-H284 PolarHBondContact O-N 3.24Å; N281-H284 PolarHBondContact OD1-N 2.92Å; N281-K285 PolarHBondContact N-O 3.49Å; N281-K285 WeakPolarHBondContact OD1-CB 3.25Å; N281-K285 PolarHBondContact OD1-N 2.92Å; N281-K285 PolarHBondContact OD1-O 3.19Å
282L90.6Very high89.1Confident122 Ų12262.2 Ų62.264%0.63931%0.307SS*.THydrogen-bonded Turntrans-59.5-27.6178.2-70.5179.7000113.3L249 S250 H284L249-L282 WeakPolarHBondContact O-CD1 3.44Å; S250-L282 WeakPolarHBondContact O-CG 3.24Å; S250-L282 PolarHBondContact O-N 3.06Å; S250-L282 VanDerWaalsContact O-N 3.16Å; L282-H284 PolarHBondContact O-N 3.1Å
283D89Confident89.3Confident105 Ų10566.9 Ų66.956%0.56133%0.329SS*.THydrogen-bonded Turntrans-78.27.3174-53.7-39.6000113.3N281 K285N281-D283 PolarHBondContact O-N 3.4Å; N281-D283 WeakPolarHBondContact OD1-CB 3.31Å; N281-D283 PolarHBondContact OD1-N 3.12Å; N281-D283 VanDerWaalsContact OD1-N 3.16Å; D283-K285 HydrophobicContact CB-CD 4.02Å; D283-K285 HydrophobicContact CB-CG 4.09Å; D283-K285 PolarHBondContact O-N 3.22Å
284H90.1Very high89.4Confident149 Ų14968.6 Ų68.669%0.6935%0.348SS*.SBendtrans59.920.8-174.1-55.1-54000114.9N281 L282N281-H284 WeakPolarHBondContact O-CA 3.44Å; N281-H284 PolarHBondContact O-N 3.24Å; N281-H284 PolarHBondContact OD1-N 2.92Å; L282-H284 PolarHBondContact O-N 3.1Å
285K92.1Very high90.1Very high64 Ų6469.1 Ų69.128%0.27835%0.353SS..  trans-95139.1179.8-64.1174.3-176.3-1800110.3H256 K280 N281 D283 A289 V290 E293H256-K285 PolarHBondContact NE2-O 3.48Å; K280-K285 WeakPolarHBondContact CA-O 3.49Å; N281-K285 PolarHBondContact N-O 3.49Å; N281-K285 WeakPolarHBondContact OD1-CB 3.25Å; N281-K285 PolarHBondContact OD1-N 2.92Å; N281-K285 PolarHBondContact OD1-O 3.19Å; D283-K285 HydrophobicContact CB-CD 4.02Å; D283-K285 HydrophobicContact CB-CG 4.09Å; D283-K285 PolarHBondContact O-N 3.22Å; K285-A289 HydrophobicContact CB-CB 4.33Å; K285-V290 HydrophobicContact CB-CG2 3.89Å; K285-V290 HydrophobicContact CD-CG2 4.49Å; K285-E293 WeakPolarHBondContact CD-OE2 3.36Å; K285-E293 WeakPolarHBondContact CE-OE1 3.48Å; K285-E293 VanDerWaalsContact CE-OE2 3.26Å; K285-E293 WeakPolarHBondContact CE-OE2 3.5Å; K285-E293 IonicContact NZ-OE1 2.89Å; K285-E293 PolarHBondContact NZ-OE1 2.81Å; K285-E293 IonicContact NZ-OE2 3.09Å; K285-E293 PolarHBondContact NZ-OE2 3.44Å
286T92.8Very high90.6Very high36 Ų3672.5 Ų72.522%0.22137%0.367CS..  trans-85.5161.1169.662.10000110.2K280 R288 A289 V290K280-T286 HydrophobicContact CG-CG2 3.87Å; T286-R288 PolarHBondContact O-N 3.07Å; T286-R288 VanDerWaalsContact O-N 3.08Å; T286-A289 WeakPolarHBondContact O-CA 3.42Å; T286-A289 WeakPolarHBondContact O-CB 3.2Å; T286-A289 PolarHBondContact O-N 3.13Å; T286-A289 PolarHBondContact OG1-N 2.88Å; T286-V290 PolarHBondContact O-N 3.12Å
287P92.7Very high91Very high0 Ų076 Ų760%038%0.377CS..Hα-helixtrans-55.8-34.4178.1-20.927.8000112.6L255 H256 A259 V290 A291 I303L255-P287 HydrophobicContact CB-CB 4.47Å; L255-P287 HydrophobicContact CB-CG 4.44Å; L255-P287 HydrophobicContact CD2-CB 4Å; L255-P287 HydrophobicContact CD2-CG 3.93Å; L255-P287 HydrophobicContact CG-CB 3.79Å; L255-P287 HydrophobicContact CG-CG 4.08Å; H256-P287 VanDerWaalsContact CE1-CG 3.48Å; H256-P287 WeakPolarHBondContact CE1-CG 3.38Å; H256-P287 VanDerWaalsContact NE2-CD 3.33Å; H256-P287 WeakPolarHBondContact NE2-CD 3.37Å; A259-P287 HydrophobicContact CB-CB 4.43Å; A259-P287 VanDerWaalsContact CB-O 3.28Å; A259-P287 WeakPolarHBondContact CB-O 3.45Å; P287-V290 PolarHBondContact O-N 3.38Å; P287-A291 PolarHBondContact O-N 2.77Å; P287-I303 HydrophobicContact CB-CD1 4.35Å
288R92.7Very high91.2Very high59 Ų5978 Ų7822%0.22340%0.397CS..Hα-helixtrans-68.3-36.5175.9-176.1174.4167.1-156.3-13.5113T286 K292 I303 E307T286-R288 PolarHBondContact O-N 3.07Å; T286-R288 VanDerWaalsContact O-N 3.08Å; R288-K292 WeakPolarHBondContact O-CG 3.35Å; R288-K292 PolarHBondContact O-N 3.44Å; R288-I303 HydrophobicContact CB-CG2 3.87Å; R288-E307 VanDerWaalsContact CD-OE1 3.28Å; R288-E307 WeakPolarHBondContact CD-OE1 3.18Å; R288-E307 WeakPolarHBondContact CD-OE2 3.35Å; R288-E307 IonicContact CZ-OE2 3.49Å; R288-E307 IonicContact NH1-OE2 3.25Å; R288-E307 PolarHBondContact NH1-OE2 2.96Å
289A92.2Very high91.5Very high29 Ų2970.6 Ų70.624%0.2436%0.364CS..Hα-helixtrans-67.5-45.5175.400000110.2K285 T286 A291 K292 E293K285-A289 HydrophobicContact CB-CB 4.33Å; T286-A289 WeakPolarHBondContact O-CA 3.42Å; T286-A289 WeakPolarHBondContact O-CB 3.2Å; T286-A289 PolarHBondContact O-N 3.13Å; T286-A289 PolarHBondContact OG1-N 2.88Å; A289-A291 PolarHBondContact O-N 3.19Å; A289-K292 WeakPolarHBondContact O-CB 3.43Å; A289-K292 PolarHBondContact O-N 3.15Å; A289-E293 PolarHBondContact O-N 3.38Å
290V92.5Very high91.7Very high13 Ų1366.1 Ų66.18%0.07935%0.349CS..Hα-helixtrans-55.8-47.4174.4177.10000111.3A259 M260 K285 T286 P287 K292 E293 G294A259-V290 HydrophobicContact CB-CG1 4.48Å; M260-V290 HydrophobicContact CB-CG1 3.98Å; K285-V290 HydrophobicContact CB-CG2 3.89Å; K285-V290 HydrophobicContact CD-CG2 4.49Å; T286-V290 PolarHBondContact O-N 3.12Å; P287-V290 PolarHBondContact O-N 3.38Å; V290-K292 VanDerWaalsContact C-N 3.26Å; V290-K292 PolarHBondContact O-N 3.37Å; V290-E293 PolarHBondContact O-N 3.27Å; V290-G294 PolarHBondContact O-N 2.97Å
291A93.6Very high91.7Very high0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-62.2-30.3176.600000113.7A259 P287 A289 F296 A299 I303A259-A291 HydrophobicContact CB-CB 4Å; P287-A291 PolarHBondContact O-N 2.77Å; A289-A291 PolarHBondContact O-N 3.19Å; A291-F296 PolarHBondContact O-N 3.38Å; A291-A299 HydrophobicContact CB-CB 4.38Å; A291-I303 HydrophobicContact CB-CD1 4.3Å
292K93Very high91.7Very high128 Ų12867.5 Ų67.556%0.55736%0.356SS*.Hα-helixtrans-75.5-43.2177.7-79.8179.2172.8-173.40111.7R288 A289 V290 G294 G295R288-K292 WeakPolarHBondContact O-CG 3.35Å; R288-K292 PolarHBondContact O-N 3.44Å; A289-K292 WeakPolarHBondContact O-CB 3.43Å; A289-K292 PolarHBondContact O-N 3.15Å; V290-K292 VanDerWaalsContact C-N 3.26Å; V290-K292 PolarHBondContact O-N 3.37Å; K292-G294 VanDerWaalsContact C-N 3.32Å; K292-G295 PolarHBondContact O-N 3.45Å
293E91.3Very high91.7Very high124 Ų12461.7 Ų61.758%0.57933%0.325SS*.Hα-helixtrans-62.8-41177.3-71.5177.5-175.700111.1K285 A289 V290 G295K285-E293 WeakPolarHBondContact CD-OE2 3.36Å; K285-E293 WeakPolarHBondContact CE-OE1 3.48Å; K285-E293 VanDerWaalsContact CE-OE2 3.26Å; K285-E293 WeakPolarHBondContact CE-OE2 3.5Å; K285-E293 IonicContact NZ-OE1 2.89Å; K285-E293 PolarHBondContact NZ-OE1 2.81Å; K285-E293 IonicContact NZ-OE2 3.09Å; K285-E293 PolarHBondContact NZ-OE2 3.44Å; A289-E293 PolarHBondContact O-N 3.38Å; V290-E293 PolarHBondContact O-N 3.27Å; E293-G295 PolarHBondContact O-N 3.49Å; E293-G295 VanDerWaalsContact O-N 3.17Å
294G88.4Confident91.8Very high40 Ų4063.3 Ų63.341%0.41232%0.323SS..THydrogen-bonded Turntrans-70.4-1172.200000115.1V290 K292 F296V290-G294 PolarHBondContact O-N 2.97Å; K292-G294 VanDerWaalsContact C-N 3.32Å; G294-F296 VanDerWaalsContact C-N 3.26Å; G294-F296 WeakPolarHBondContact O-CD2 3.44Å; G294-F296 VanDerWaalsContact O-CE2 3.28Å; G294-F296 WeakPolarHBondContact O-CE2 3.42Å; G294-F296 PolarHBondContact O-N 2.9Å
295G91.4Very high91.7Very high53 Ų5360.7 Ų60.755%0.54631%0.307SS..THydrogen-bonded Turntrans74.76.6179.800000115.4K292 E293 K297K292-G295 PolarHBondContact O-N 3.45Å; E293-G295 PolarHBondContact O-N 3.49Å; E293-G295 VanDerWaalsContact O-N 3.17Å; G295-K297 PolarHBondContact O-N 3.34Å
296F94.8Very high91.5Very high78 Ų7858.3 Ų58.334%0.34230%0.3SS..  trans-82.780.1-174.3-55.4-64.8000112.9A259 M260 A291 G294 A298 A299 S300A259-F296 WeakPolarHBondContact O-CD2 3.25Å; M260-F296 WeakPolarHBondContact O-CE2 3.47Å; A291-F296 PolarHBondContact O-N 3.38Å; G294-F296 VanDerWaalsContact C-N 3.26Å; G294-F296 WeakPolarHBondContact O-CD2 3.44Å; G294-F296 VanDerWaalsContact O-CE2 3.28Å; G294-F296 WeakPolarHBondContact O-CE2 3.42Å; G294-F296 PolarHBondContact O-N 2.9Å; F296-A298 VanDerWaalsContact C-N 3.3Å; F296-A298 PolarHBondContact O-N 3.5Å; F296-A299 HydrophobicContact CB-CB 4.2Å; F296-A299 PolarHBondContact O-N 3.14Å; F296-S300 PolarHBondContact O-N 3.19Å; F296-S300 VanDerWaalsContact O-N 3.08Å
297K91.6Very high91.2Very high183 Ų18358.2 Ų58.280%0.79630%0.297SS*.Hα-helixtrans-58.3-35.5-178.4-65.6178.9-177.2173.80113.9G295 K301G295-K297 PolarHBondContact O-N 3.34Å; K297-K301 WeakPolarHBondContact O-CB 3.26Å; K297-K301 PolarHBondContact O-N 3.15Å; K297-K301 VanDerWaalsContact O-N 3.11Å
298A90.8Very high90.9Very high60 Ų6065.6 Ų65.650%0.49633%0.325SS..Hα-helixtrans-68.9-51.3-17900000111.9A264 F296 S300 K301 E302A264-A298 HydrophobicContact CB-CB 4.05Å; F296-A298 VanDerWaalsContact C-N 3.3Å; F296-A298 PolarHBondContact O-N 3.5Å; A298-S300 PolarHBondContact O-N 2.97Å; A298-K301 WeakPolarHBondContact O-CB 3.48Å; A298-K301 PolarHBondContact O-N 3.17Å; A298-E302 PolarHBondContact O-N 2.91Å; A298-E302 VanDerWaalsContact O-N 3.13Å
299A91.6Very high90.5Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-59.1-46.617600000111.6A291 F296 K301 E302 I303A291-A299 HydrophobicContact CB-CB 4.38Å; F296-A299 HydrophobicContact CB-CB 4.2Å; F296-A299 PolarHBondContact O-N 3.14Å; A299-K301 VanDerWaalsContact C-N 3.25Å; A299-K301 PolarHBondContact O-N 3.23Å; A299-E302 PolarHBondContact O-N 3.11Å; A299-E302 VanDerWaalsContact O-N 3.17Å; A299-I303 WeakPolarHBondContact O-CG1 3.23Å; A299-I303 PolarHBondContact O-N 2.95Å
300S92.8Very high89.9Confident13 Ų1365.8 Ų65.89%0.09133%0.332CS..Hα-helixtrans-59-35.6176.9-167.60000113F296 A298 R304F296-S300 PolarHBondContact O-N 3.19Å; F296-S300 VanDerWaalsContact O-N 3.08Å; A298-S300 PolarHBondContact O-N 2.97Å; S300-R304 WeakPolarHBondContact O-CB 3.25Å; S300-R304 PolarHBondContact O-N 2.67Å
301K92.3Very high89.4Confident121 Ų12168.9 Ų68.953%0.52635%0.348SS..Hα-helixtrans-69.6-40.3177.9-173-179.6-173.9177.80112.3K297 A298 A299 R305K297-K301 WeakPolarHBondContact O-CB 3.26Å; K297-K301 PolarHBondContact O-N 3.15Å; K297-K301 VanDerWaalsContact O-N 3.11Å; A298-K301 WeakPolarHBondContact O-CB 3.48Å; A298-K301 PolarHBondContact O-N 3.17Å; A299-K301 VanDerWaalsContact C-N 3.25Å; A299-K301 PolarHBondContact O-N 3.23Å; K301-R305 WeakPolarHBondContact O-CG 3.41Å; K301-R305 PolarHBondContact O-N 3.31Å
302E90.1Very high88.8Confident41 Ų4176.2 Ų76.219%0.19238%0.376CS..Hα-helixtrans-70.2-41.3176.7-64-51146.100111.7K268 A298 A299 R304 R305 A306K268-E302 HydrophobicContact CB-CB 4.22Å; K268-E302 HydrophobicContact CB-CG 4.46Å; A298-E302 PolarHBondContact O-N 2.91Å; A298-E302 VanDerWaalsContact O-N 3.13Å; A299-E302 PolarHBondContact O-N 3.11Å; A299-E302 VanDerWaalsContact O-N 3.17Å; E302-R304 PolarHBondContact O-N 3.48Å; E302-R305 VanDerWaalsContact CD-NH1 3.34Å; E302-R305 WeakPolarHBondContact O-CB 3.44Å; E302-R305 PolarHBondContact O-N 2.83Å; E302-R305 IonicContact OE1-CZ 2.67Å; E302-R305 IonicContact OE1-NH1 2.77Å; E302-R305 PolarHBondContact OE1-NH1 3.42Å; E302-R305 VanDerWaalsContact OE2-CD 3.28Å; E302-R305 WeakPolarHBondContact OE2-CD 3.38Å; E302-R305 IonicContact OE2-NH1 3.13Å; E302-R305 PolarHBondContact OE2-NH1 3.32Å; E302-A306 PolarHBondContact O-N 2.72Å
303I90.2Very high88Confident0 Ų072.5 Ų72.50%036%0.362CS..Hα-helixtrans-60-46.2173.8-62.2166000110.4L255 A259 C267 P287 R288 A291 A299 R305 A306 E307L255-I303 HydrophobicContact CD1-CG1 4.44Å; A259-I303 HydrophobicContact CB-CD1 4.06Å; C267-I303 HydrophobicContact CB-CD1 4.36Å; C267-I303 HydrophobicContact CB-CG1 4.08Å; P287-I303 HydrophobicContact CB-CD1 4.35Å; R288-I303 HydrophobicContact CB-CG2 3.87Å; A291-I303 HydrophobicContact CB-CD1 4.3Å; A299-I303 WeakPolarHBondContact O-CG1 3.23Å; A299-I303 PolarHBondContact O-N 2.95Å; I303-R305 VanDerWaalsContact C-N 3.25Å; I303-R305 PolarHBondContact O-N 3.05Å; I303-A306 PolarHBondContact O-N 3.08Å; I303-A306 VanDerWaalsContact O-N 3.13Å; I303-E307 HydrophobicContact CG2-CG 4.47Å; I303-E307 WeakPolarHBondContact O-CG 3.35Å; I303-E307 PolarHBondContact O-N 2.71Å
304R90.8Very high87.2Confident139 Ų13970.3 Ų70.353%0.52537%0.365SS..Hα-helixtrans-60.6-32.3175.1-175.4-178.4-179.8-175.40.9113S300 E302 R308S300-R304 WeakPolarHBondContact O-CB 3.25Å; S300-R304 PolarHBondContact O-N 2.67Å; E302-R304 PolarHBondContact O-N 3.48Å; R304-R308 WeakPolarHBondContact O-CG 3.3Å; R304-R308 PolarHBondContact O-N 3.32Å
305R88.6Confident86.7Confident93 Ų9376.8 Ų76.835%0.35138%0.377SS..Hα-helixtrans-69.6-45.4174.6-78.8166.8174.4-179.81.8110.7K301 E302 I303 R308 I309K301-R305 WeakPolarHBondContact O-CG 3.41Å; K301-R305 PolarHBondContact O-N 3.31Å; E302-R305 VanDerWaalsContact CD-NH1 3.34Å; E302-R305 WeakPolarHBondContact O-CB 3.44Å; E302-R305 PolarHBondContact O-N 2.83Å; E302-R305 IonicContact OE1-CZ 2.67Å; E302-R305 IonicContact OE1-NH1 2.77Å; E302-R305 PolarHBondContact OE1-NH1 3.42Å; E302-R305 VanDerWaalsContact OE2-CD 3.28Å; E302-R305 WeakPolarHBondContact OE2-CD 3.38Å; E302-R305 IonicContact OE2-NH1 3.13Å; E302-R305 PolarHBondContact OE2-NH1 3.32Å; I303-R305 VanDerWaalsContact C-N 3.25Å; I303-R305 PolarHBondContact O-N 3.05Å; R305-R308 PolarHBondContact O-N 3.12Å; R305-I309 WeakPolarHBondContact O-CG1 3.46Å; R305-I309 PolarHBondContact O-N 3.19Å; R305-I309 VanDerWaalsContact O-N 3.13Å
306A86.8Confident85Confident15 Ų1580.7 Ų80.712%0.12439%0.393CS..Hα-helixtrans-60.8-44.2176.100000111.7A271 L277 E302 I303 R308 I309 A310A271-A306 HydrophobicContact CB-CB 3.6Å; L277-A306 HydrophobicContact CD1-CB 3.79Å; E302-A306 PolarHBondContact O-N 2.72Å; I303-A306 PolarHBondContact O-N 3.08Å; I303-A306 VanDerWaalsContact O-N 3.13Å; A306-R308 VanDerWaalsContact C-N 3.31Å; A306-R308 PolarHBondContact O-N 3.22Å; A306-I309 PolarHBondContact O-N 3.24Å; A306-A310 WeakPolarHBondContact O-CB 3.44Å; A306-A310 PolarHBondContact O-N 2.96Å
307E87.8Confident83.5Confident34 Ų3481 Ų8116%0.15942%0.418CS..Hα-helixtrans-54.7-44.5174.9-74.9171.6179.900112.1L277 R288 I303 I309 A310 N311L277-E307 HydrophobicContact CB-CG 4.1Å; L277-E307 HydrophobicContact CD1-CB 4.42Å; L277-E307 HydrophobicContact CD1-CG 4.03Å; R288-E307 VanDerWaalsContact CD-OE1 3.28Å; R288-E307 WeakPolarHBondContact CD-OE1 3.18Å; R288-E307 WeakPolarHBondContact CD-OE2 3.35Å; R288-E307 IonicContact CZ-OE2 3.49Å; R288-E307 IonicContact NH1-OE2 3.25Å; R288-E307 PolarHBondContact NH1-OE2 2.96Å; I303-E307 HydrophobicContact CG2-CG 4.47Å; I303-E307 WeakPolarHBondContact O-CG 3.35Å; I303-E307 PolarHBondContact O-N 2.71Å; E307-I309 VanDerWaalsContact C-N 3.34Å; E307-I309 PolarHBondContact O-N 3.03Å; E307-A310 PolarHBondContact O-N 3.46Å; E307-N311 WeakPolarHBondContact O-CB 3.28Å; E307-N311 VanDerWaalsContact O-CG 3.25Å; E307-N311 PolarHBondContact O-N 3.48Å; E307-N311 PolarHBondContact O-ND2 2.95Å
308R85.8Confident82.4Confident154 Ų15474.5 Ų74.558%0.58140%0.398SS*.Hα-helixtrans-65.5-37.7178-75.4-173-66.2155.1-0.5112.4R304 R305 A306 R312R304-R308 WeakPolarHBondContact O-CG 3.3Å; R304-R308 PolarHBondContact O-N 3.32Å; R305-R308 PolarHBondContact O-N 3.12Å; A306-R308 VanDerWaalsContact C-N 3.31Å; A306-R308 PolarHBondContact O-N 3.22Å; R308-R312 PolarHBondContact O-N 3.27Å
309I83.3Confident81.2Confident48 Ų4881.1 Ų81.125%0.24642%0.416CS..Hα-helixtrans-68.8-46.2177.7-66165.7000109.7R305 A306 E307 R312 L313 F406R305-I309 WeakPolarHBondContact O-CG1 3.46Å; R305-I309 PolarHBondContact O-N 3.19Å; R305-I309 VanDerWaalsContact O-N 3.13Å; A306-I309 PolarHBondContact O-N 3.24Å; E307-I309 VanDerWaalsContact C-N 3.34Å; E307-I309 PolarHBondContact O-N 3.03Å; I309-R312 WeakPolarHBondContact O-CB 3.5Å; I309-R312 PolarHBondContact O-N 3Å; I309-L313 HydrophobicContact CG2-CD1 3.91Å; I309-L313 WeakPolarHBondContact O-CG 3.46Å; I309-L313 PolarHBondContact O-N 3.43Å; I309-L313 VanDerWaalsContact O-N 3.09Å; I309-F406 HydrophobicContact CG2-CZ 4.36Å
310A81.3Confident80.4Confident44 Ų4485.4 Ų85.436%0.36444%0.438SS..Hα-helixtrans-59.9-46.9176.900000111.9L277 A306 E307 R312 L313 A314L277-A310 HydrophobicContact CD1-CB 4.31Å; A306-A310 WeakPolarHBondContact O-CB 3.44Å; A306-A310 PolarHBondContact O-N 2.96Å; E307-A310 PolarHBondContact O-N 3.46Å; A310-R312 VanDerWaalsContact C-N 3.26Å; A310-R312 PolarHBondContact O-N 3.44Å; A310-L313 CarbonylContact O-C 3.57Å; A310-L313 PolarHBondContact O-N 3.34Å; A310-L313 VanDerWaalsContact O-N 3.08Å; A310-A314 WeakPolarHBondContact O-CB 3.5Å; A310-A314 PolarHBondContact O-N 3.08Å
311N82.3Confident79.3Confident79 Ų7988 Ų8842%0.42246%0.455SS..Hα-helixtrans-63.4-29.2177.4-73.2-24.5000113.4K278 E307K278-N311 PolarHBondContact NZ-OD1 3.07Å; E307-N311 WeakPolarHBondContact O-CB 3.28Å; E307-N311 VanDerWaalsContact O-CG 3.25Å; E307-N311 PolarHBondContact O-N 3.48Å; E307-N311 PolarHBondContact O-ND2 2.95Å
312R80.4Confident78.6Confident153 Ų15382.6 Ų82.658%0.57743%0.432SS*.Hα-helixtrans-71.9-37.1173.9-177.5176.962.5-176.1-0.1111.5R308 I309 A310R308-R312 PolarHBondContact O-N 3.27Å; I309-R312 WeakPolarHBondContact O-CB 3.5Å; I309-R312 PolarHBondContact O-N 3Å; A310-R312 VanDerWaalsContact C-N 3.26Å; A310-R312 PolarHBondContact O-N 3.44Å
313L75.9Confident78.3Confident51 Ų5182.2 Ų82.227%0.26743%0.433SS..Hα-helixtrans-78.4-24179.4-67.7168.7000113I309 A310 R315 P321I309-L313 HydrophobicContact CG2-CD1 3.91Å; I309-L313 WeakPolarHBondContact O-CG 3.46Å; I309-L313 PolarHBondContact O-N 3.43Å; I309-L313 VanDerWaalsContact O-N 3.09Å; A310-L313 CarbonylContact O-C 3.57Å; A310-L313 PolarHBondContact O-N 3.34Å; A310-L313 VanDerWaalsContact O-N 3.08Å; L313-R315 PolarHBondContact O-N 2.96Å; L313-P321 HydrophobicContact CD2-CG 4.46Å
314A74Confident77.9Confident78 Ų7886.1 Ų86.165%0.64545%0.453SS*.THydrogen-bonded Turntrans-74.90.3175.900000114.3A310A310-A314 WeakPolarHBondContact O-CB 3.5Å; A310-A314 PolarHBondContact O-N 3.08Å
315R77.8Confident77.6Confident176 Ų17682.9 Ų82.966%0.66444%0.441SS*.SBendtrans-74.5134.7178-68.1-178.7178.4-171.9-3.7110.2L313 G317 A318L313-R315 PolarHBondContact O-N 2.96Å; R315-G317 PolarHBondContact O-N 3.17Å; R315-A318 WeakPolarHBondContact O-CB 3.4Å; R315-A318 PolarHBondContact O-N 2.76Å; R315-A318 VanDerWaalsContact O-N 3.11Å
316P57.1Low77.4Confident135 Ų13578.6 Ų78.688%0.87743%0.426SS*.THydrogen-bonded Turntrans-54.2125.6177.8-22.931.4000111.2
317G62.1Low77.4Confident84 Ų8478 Ų7887%0.86642%0.42SS*.THydrogen-bonded Turntrans94.2-3.4-178.800000116.4R315 K319R315-G317 PolarHBondContact O-N 3.17Å; G317-K319 PolarHBondContact O-N 2.76Å
318A69.3Low77.3Confident47 Ų4778.5 Ų78.539%0.38842%0.421SS..  trans-78.2114.6174.700000111.4R315 N320R315-A318 WeakPolarHBondContact O-CB 3.4Å; R315-A318 PolarHBondContact O-N 2.76Å; R315-A318 VanDerWaalsContact O-N 3.11Å; A318-N320 PolarHBondContact O-N 3.02Å
319K66.3Low77.4Confident199 Ų19971.2 Ų71.287%0.86539%0.393SS*.  trans-67.2123.2168.4-72.1-175.7178.2-177.90109G317 P321G317-K319 PolarHBondContact O-N 2.76Å; K319-P321 WeakPolarHBondContact O-CD 3.36Å
320N73.1Confident77.6Confident89 Ų8969 Ų6948%0.47638%0.382SS..  trans-70.5113.6174.6-177.49.7000109.3A318 N322A318-N320 PolarHBondContact O-N 3.02Å; N320-N322 PolarHBondContact ND2-O 2.96Å; N320-N322 VanDerWaalsContact ND2-O 3.08Å; N320-N322 PolarHBondContact O-N 3.41Å; N320-N322 PolarHBondContact OD1-N 3.03Å; N320-N322 VanDerWaalsContact OD1-N 3.1Å; N320-N322 PolarHBondContact OD1-O 3.29Å
321P70.8Confident77.9Confident68 Ų6867.1 Ų67.144%0.44237%0.366SS..SBendtrans-74.4-11.2-178.531.7-35.6000113.1L313 K319L313-P321 HydrophobicContact CD2-CG 4.46Å; K319-P321 WeakPolarHBondContact O-CD 3.36Å
322N77.6Confident78.3Confident7 Ų764.6 Ų64.64%0.03735%0.35CS..SBendtrans-132.982.8-179.7-49.5-63.5000109.9N320 L327 L402 N403 F406N320-N322 PolarHBondContact ND2-O 2.96Å; N320-N322 VanDerWaalsContact ND2-O 3.08Å; N320-N322 PolarHBondContact O-N 3.41Å; N320-N322 PolarHBondContact OD1-N 3.03Å; N320-N322 VanDerWaalsContact OD1-N 3.1Å; N320-N322 PolarHBondContact OD1-O 3.29Å; N322-L327 HydrophobicContact CB-CD1 4.19Å; N322-L327 HydrophobicContact CB-CD2 4.18Å; N322-L327 HydrophobicContact CB-CG 4.25Å; N322-L402 HydrophobicContact CB-CD2 4.2Å; N322-N403 PolarHBondContact OD1-N 3.5Å; N322-F406 HydrophobicContact CB-CD1 4.36Å; N322-F406 HydrophobicContact CB-CG 4.46Å; N322-F406 WeakPolarHBondContact ND2-CD2 3.49Å; N322-F406 VanDerWaalsContact ND2-CE2 3.29Å; N322-F406 WeakPolarHBondContact ND2-CE2 3.19Å
323P82.6Confident78.6Confident34 Ų3457.3 Ų57.322%0.22132%0.323CS..  trans-69.2151.3172.430.3-33.5000110.7W325 A326 L327P323-W325 VanDerWaalsContact C-N 3.29Å; P323-W325 HydrophobicContact CB-CG 4.37Å; P323-W325 HydrophobicContact CG-CD2 4.27Å; P323-W325 HydrophobicContact CG-CZ2 3.79Å; P323-W325 PolarHBondContact O-N 3.24Å; P323-A326 HydrophobicContact CG-CB 3.73Å; P323-A326 PolarHBondContact O-N 3.46Å; P323-A326 VanDerWaalsContact O-N 3.13Å; P323-L327 PolarHBondContact O-N 3.31Å; P323-L327 VanDerWaalsContact O-N 3.16Å
324L82Confident79.1Confident81 Ų8156.9 Ų56.942%0.42432%0.322SS..Hα-helixtrans-60.2-38.1-175.6-69.8175.7000112.6R273 A326 L327 R328R273-L324 VanDerWaalsContact O-CD2 3.31Å; R273-L324 WeakPolarHBondContact O-CD2 3.42Å; L324-A326 VanDerWaalsContact C-N 3.33Å; L324-A326 PolarHBondContact O-N 3.02Å; L324-L327 PolarHBondContact O-N 3.11Å; L324-R328 WeakPolarHBondContact O-CB 3.37Å; L324-R328 PolarHBondContact O-N 3.02Å
325W85.1Confident79.7Confident72 Ų7255.7 Ų55.727%0.27330%0.303SS..Hα-helixtrans-60.8-39.6176.667.2-103.2000112.2P323 R328 L329 A370 Q374 I378P323-W325 VanDerWaalsContact C-N 3.29Å; P323-W325 HydrophobicContact CB-CG 4.37Å; P323-W325 HydrophobicContact CG-CD2 4.27Å; P323-W325 HydrophobicContact CG-CZ2 3.79Å; P323-W325 PolarHBondContact O-N 3.24Å; W325-R328 PolarHBondContact O-N 2.89Å; W325-L329 WeakPolarHBondContact O-CB 3.37Å; W325-L329 PolarHBondContact O-N 2.76Å; W325-A370 HydrophobicContact CE3-CB 3.9Å; W325-A370 HydrophobicContact CZ3-CB 4.17Å; W325-Q374 HydrophobicContact CE3-CB 4.37Å; W325-Q374 HydrophobicContact CH2-CB 3.63Å; W325-Q374 HydrophobicContact CH2-CG 3.88Å; W325-Q374 HydrophobicContact CZ2-CB 4.1Å; W325-Q374 HydrophobicContact CZ2-CG 3.8Å; W325-Q374 HydrophobicContact CZ3-CB 3.76Å; W325-Q374 HydrophobicContact CZ3-CG 4.28Å; W325-I378 HydrophobicContact CH2-CD1 4.13Å; W325-I378 HydrophobicContact CZ3-CD1 3.79Å
326A84.9Confident80.1Confident3 Ų350.8 Ų50.83%0.02529%0.285CS..Hα-helixtrans-73.7-34.1179.700000112.2P323 L324 H330 L402P323-A326 HydrophobicContact CG-CB 3.73Å; P323-A326 PolarHBondContact O-N 3.46Å; P323-A326 VanDerWaalsContact O-N 3.13Å; L324-A326 VanDerWaalsContact C-N 3.33Å; L324-A326 PolarHBondContact O-N 3.02Å; A326-H330 WeakPolarHBondContact O-CB 3.4Å; A326-H330 PolarHBondContact O-N 3.3Å; A326-L402 HydrophobicContact CB-CD2 4.1Å
327L86.8Confident81.4Confident1 Ų147.5 Ų47.51%0.00526%0.258CS..Hα-helixtrans-66-39.7172.1-67.4174.4000111.3F238 N322 P323 L324 H330 D331 L402 F406F238-L327 HydrophobicContact CE1-CB 4.37Å; N322-L327 HydrophobicContact CB-CD1 4.19Å; N322-L327 HydrophobicContact CB-CD2 4.18Å; N322-L327 HydrophobicContact CB-CG 4.25Å; P323-L327 PolarHBondContact O-N 3.31Å; P323-L327 VanDerWaalsContact O-N 3.16Å; L324-L327 PolarHBondContact O-N 3.11Å; L327-H330 PolarHBondContact O-N 3.17Å; L327-D331 PolarHBondContact O-N 3.17Å; L327-L402 HydrophobicContact CD2-CD1 3.85Å; L327-L402 HydrophobicContact CD2-CD2 3.61Å; L327-L402 HydrophobicContact CD2-CG 4.3Å; L327-L402 HydrophobicContact CG-CD2 4.2Å; L327-F406 HydrophobicContact CD1-CD1 4.27Å; L327-F406 HydrophobicContact CD2-CB 3.86Å; L327-F406 HydrophobicContact CD2-CD1 4.3Å; L327-F406 HydrophobicContact CD2-CG 4.5Å
328R86.2Confident82.5Confident46 Ų4647.4 Ų47.417%0.17425%0.249CC..Hα-helixtrans-68.5-45.1177.4-169.8172.8-70.6146.7-6.1111.6F238 N241 L324 W325 H330 D331 W332 Y369F238-R328 HydrophobicContact CE1-CB 3.87Å; F238-R328 HydrophobicContact CE1-CG 4.32Å; F238-R328 HydrophobicContact CZ-CB 4.06Å; N241-R328 PolarHBondContact OD1-NE 3.11Å; N241-R328 PolarHBondContact OD1-NH1 2.84Å; L324-R328 WeakPolarHBondContact O-CB 3.37Å; L324-R328 PolarHBondContact O-N 3.02Å; W325-R328 PolarHBondContact O-N 2.89Å; R328-H330 VanDerWaalsContact C-N 3.3Å; R328-H330 PolarHBondContact O-N 2.99Å; R328-D331 PolarHBondContact O-N 3.12Å; R328-W332 WeakPolarHBondContact O-CB 3.32Å; R328-W332 PolarHBondContact O-N 2.92Å; R328-Y369 HydrophobicContact CG-CD1 4.42Å; R328-Y369 HydrophobicContact CG-CD2 4.4Å; R328-Y369 HydrophobicContact CG-CG 4.29Å
329L87.2Confident83.2Confident0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-56.9-43.7173.6179.763.2000112W325 W332 S333 Q367 A370 L375 I378W325-L329 WeakPolarHBondContact O-CB 3.37Å; W325-L329 PolarHBondContact O-N 2.76Å; L329-W332 HydrophobicContact CD1-CE3 4.08Å; L329-W332 HydrophobicContact CD1-CZ3 4.31Å; L329-S333 VanDerWaalsContact O-CB 3.24Å; L329-S333 WeakPolarHBondContact O-CB 3.41Å; L329-S333 PolarHBondContact O-N 3Å; L329-S333 PolarHBondContact O-OG 3.17Å; L329-Q367 HydrophobicContact CD1-CG 4.44Å; L329-A370 HydrophobicContact CD2-CB 4.27Å; L329-L375 HydrophobicContact CD2-CD2 3.78Å; L329-I378 HydrophobicContact CD2-CD1 3.55Å
330H87.9Confident84.1Confident2 Ų240.8 Ų40.81%0.00921%0.211CC..Hα-helixtrans-62.2-50.9175.5174.5-84000112.3A326 L327 R328 W332 S333 V334 Y401 L402A326-H330 WeakPolarHBondContact O-CB 3.4Å; A326-H330 PolarHBondContact O-N 3.3Å; L327-H330 PolarHBondContact O-N 3.17Å; R328-H330 VanDerWaalsContact C-N 3.3Å; R328-H330 PolarHBondContact O-N 2.99Å; H330-W332 VanDerWaalsContact C-N 3.34Å; H330-W332 PolarHBondContact O-N 3.18Å; H330-S333 WeakPolarHBondContact CA-OG 3.33Å; H330-S333 PolarHBondContact O-N 3.3Å; H330-S333 PolarHBondContact O-OG 3.42Å; H330-V334 WeakPolarHBondContact O-CG2 3.46Å; H330-V334 PolarHBondContact O-N 2.82Å; H330-Y401 HydrophobicContact CB-CE2 4.16Å; H330-Y401 PolarHBondContact CD2-OH 2.84Å; H330-L402 HydrophobicContact CB-CD1 3.5Å
331D87.4Confident84.7Confident4 Ų440.7 Ų40.72%0.02120%0.204CC..Hα-helixtrans-67.5-36.4-177.2-68.91.7000111.5F238 Y269 R273 L327 R328 E335 L408F238-D331 HydrophobicContact CD1-CB 4.19Å; F238-D331 WeakPolarHBondContact CD1-OD2 3.49Å; Y269-D331 PolarHBondContact OH-OD2 3.23Å; R273-D331 IonicContact CZ-OD1 3.31Å; R273-D331 IonicContact CZ-OD2 2.67Å; R273-D331 VanDerWaalsContact CZ-OD2 3.25Å; R273-D331 IonicContact NE-OD2 3.77Å; R273-D331 PolarHBondContact NE-OD2 2.98Å; R273-D331 VanDerWaalsContact NH2-CG 3.25Å; R273-D331 IonicContact NH2-OD1 3.14Å; R273-D331 PolarHBondContact NH2-OD1 3.02Å; R273-D331 IonicContact NH2-OD2 3.86Å; R273-D331 PolarHBondContact NH2-OD2 3.45Å; L327-D331 PolarHBondContact O-N 3.17Å; R328-D331 PolarHBondContact O-N 3.12Å; D331-E335 PolarHBondContact O-N 3.35Å; D331-L408 WeakPolarHBondContact OD1-CG 3.43Å
332W89.1Confident85.4Confident27 Ų2743.7 Ų43.710%0.10221%0.213CC..Hα-helixtrans-64.8-46.7172.9173.586.2000112.7R328 L329 H330 V334 E335 R336 L340 L363 R366 Q367 Y369R328-W332 WeakPolarHBondContact O-CB 3.32Å; R328-W332 PolarHBondContact O-N 2.92Å; L329-W332 HydrophobicContact CD1-CE3 4.08Å; L329-W332 HydrophobicContact CD1-CZ3 4.31Å; H330-W332 VanDerWaalsContact C-N 3.34Å; H330-W332 PolarHBondContact O-N 3.18Å; W332-V334 PolarHBondContact O-N 3.04Å; W332-E335 PolarHBondContact O-N 3.45Å; W332-R336 PolarHBondContact O-N 3.34Å; W332-L340 HydrophobicContact CH2-CD1 4.41Å; W332-L340 HydrophobicContact CH2-CD2 4.2Å; W332-L340 HydrophobicContact CZ3-CD1 4.06Å; W332-L340 HydrophobicContact CZ3-CD2 4.5Å; W332-L363 HydrophobicContact CH2-CD2 4.44Å; W332-L363 HydrophobicContact CZ3-CD2 3.94Å; W332-R366 HydrophobicContact CH2-CB 4.13Å; W332-R366 HydrophobicContact CZ2-CB 4.35Å; W332-R366 VanDerWaalsContact CZ2-O 3.3Å; W332-R366 WeakPolarHBondContact CZ2-O 3.45Å; W332-Q367 HydrophobicContact CE3-CB 4.43Å; W332-Q367 HydrophobicContact CH2-CB 3.83Å; W332-Q367 HydrophobicContact CH2-CG 4.33Å; W332-Q367 HydrophobicContact CZ2-CB 3.98Å; W332-Q367 HydrophobicContact CZ3-CB 4.06Å; W332-Q367 HydrophobicContact CZ3-CG 4.34Å; W332-Y369 HydrophobicContact CB-CE2 4.39Å; W332-Y369 AromaticContact CD1-CE2 3.82Å; W332-Y369 HydrophobicContact CG-CD2 4.49Å; W332-Y369 HydrophobicContact CG-CE2 4.01Å
333S88.1Confident85.7Confident0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-64.6-39.4-179.856.70000112.5L329 H330 E335 R336 E337 F396L329-S333 VanDerWaalsContact O-CB 3.24Å; L329-S333 WeakPolarHBondContact O-CB 3.41Å; L329-S333 PolarHBondContact O-N 3Å; L329-S333 PolarHBondContact O-OG 3.17Å; H330-S333 WeakPolarHBondContact CA-OG 3.33Å; H330-S333 PolarHBondContact O-N 3.3Å; H330-S333 PolarHBondContact O-OG 3.42Å; S333-E335 VanDerWaalsContact C-N 3.31Å; S333-E335 PolarHBondContact O-N 2.87Å; S333-R336 CarbonylContact O-C 3.58Å; S333-R336 PolarHBondContact O-N 2.97Å; S333-E337 WeakPolarHBondContact O-CA 3.17Å; S333-E337 PolarHBondContact O-N 3.05Å; S333-E337 VanDerWaalsContact O-N 3.1Å; S333-F396 WeakPolarHBondContact O-CE1 3.08Å
334V86.8Confident85.7Confident41 Ų4142.5 Ų42.525%0.24821%0.207CC..Hα-helixtrans-64.2-38.4174.7172.30000111H330 W332 E337 L408H330-V334 WeakPolarHBondContact O-CG2 3.46Å; H330-V334 PolarHBondContact O-N 2.82Å; W332-V334 PolarHBondContact O-N 3.04Å; V334-E337 WeakPolarHBondContact O-CB 3.1Å; V334-E337 PolarHBondContact O-N 2.9Å; V334-L408 HydrophobicContact CB-CD1 4.03Å; V334-L408 HydrophobicContact CG1-CD1 3.91Å; V334-L408 HydrophobicContact CG2-CD1 4.27Å
335E85.6Confident85.7Confident54 Ų5442.1 Ų42.125%0.25221%0.211SC..Hα-helixtrans-71.4-34.2-178.9-172.166.9147.800113.1R202 L236 A239 D331 W332 S333 E337R202-E335 IonicContact CZ-OE1 3.93Å; R202-E335 IonicContact CZ-OE2 3.9Å; R202-E335 IonicContact NH1-OE1 2.88Å; R202-E335 PolarHBondContact NH1-OE1 3.29Å; R202-E335 IonicContact NH1-OE2 3.17Å; R202-E335 PolarHBondContact NH1-OE2 3.2Å; R202-E335 VanDerWaalsContact NH1-OE2 3.09Å; R202-E335 IonicContact NH2-OE1 2.82Å; R202-E335 PolarHBondContact NH2-OE1 2.95Å; R202-E335 IonicContact NH2-OE2 3.74Å; R202-E335 PolarHBondContact NH2-OE2 3.33Å; L236-E335 HydrophobicContact CD2-CG 4.31Å; L236-E335 WeakPolarHBondContact CD2-OE1 3.4Å; L236-E335 WeakPolarHBondContact CG-OE1 3.48Å; A239-E335 HydrophobicContact CB-CB 4.48Å; D331-E335 PolarHBondContact O-N 3.35Å; W332-E335 PolarHBondContact O-N 3.45Å; S333-E335 VanDerWaalsContact C-N 3.31Å; S333-E335 PolarHBondContact O-N 2.87Å; E335-E337 VanDerWaalsContact C-N 3.31Å
336R85.6Confident85.4Confident73 Ų7344.5 Ų44.528%0.27523%0.233SC..THydrogen-bonded Turntrans-95.122.4175-64.1-63.6-165.8179.74.3112.6E206 Y240 W332 S333 A338 F339 L340E206-R336 IonicContact OE1-CZ 2.59Å; E206-R336 IonicContact OE1-NH1 2.82Å; E206-R336 PolarHBondContact OE1-NH1 3.48Å; E206-R336 IonicContact OE1-NH2 3.84Å; Y240-R336 VanDerWaalsContact OH-CZ 3.26Å; Y240-R336 PolarHBondContact OH-NH2 2.83Å; W332-R336 PolarHBondContact O-N 3.34Å; S333-R336 CarbonylContact O-C 3.58Å; S333-R336 PolarHBondContact O-N 2.97Å; R336-A338 VanDerWaalsContact C-N 3.34Å; R336-A338 PolarHBondContact O-N 3.42Å; R336-F339 PolarHBondContact O-N 3.25Å; R336-L340 HydrophobicContact CB-CD1 4.26Å; R336-L340 HydrophobicContact CB-CG 4.28Å; R336-L340 WeakPolarHBondContact O-CB 3.48Å; R336-L340 WeakPolarHBondContact O-CG 3.15Å; R336-L340 PolarHBondContact O-N 3.45Å
337E86.2Confident85.1Confident66 Ų6647.6 Ų47.631%0.30825%0.248SC..Hα-helixtrans-55.7-45.2-173176.2175-176.700112.5S333 V334 E335 F339 L340 R341 F396S333-E337 WeakPolarHBondContact O-CA 3.17Å; S333-E337 PolarHBondContact O-N 3.05Å; S333-E337 VanDerWaalsContact O-N 3.1Å; V334-E337 WeakPolarHBondContact O-CB 3.1Å; V334-E337 PolarHBondContact O-N 2.9Å; E335-E337 VanDerWaalsContact C-N 3.31Å; E337-F339 PolarHBondContact O-N 2.82Å; E337-L340 PolarHBondContact O-N 3.12Å; E337-R341 HydrophobicContact CG-CG 4.23Å; E337-R341 VanDerWaalsContact CG-NE 3.29Å; E337-R341 VanDerWaalsContact O-CB 3.3Å; E337-R341 WeakPolarHBondContact O-CB 3.49Å; E337-R341 WeakPolarHBondContact O-CG 3.31Å; E337-R341 PolarHBondContact O-N 3.4Å; E337-R341 IonicContact OE1-CZ 4Å; E337-R341 IonicContact OE1-NE 3.19Å; E337-R341 PolarHBondContact OE1-NE 3.34Å; E337-R341 IonicContact OE1-NH2 3.37Å; E337-R341 PolarHBondContact OE1-NH2 2.95Å; E337-F396 HydrophobicContact CB-CD1 4.45Å; E337-F396 HydrophobicContact CB-CE1 4.14Å; E337-F396 HydrophobicContact CB-CZ 4.35Å; E337-F396 HydrophobicContact CG-CD1 4.3Å; E337-F396 HydrophobicContact CG-CD2 4.23Å; E337-F396 HydrophobicContact CG-CE1 4.14Å; E337-F396 HydrophobicContact CG-CE2 4.03Å; E337-F396 HydrophobicContact CG-CG 4.36Å; E337-F396 HydrophobicContact CG-CZ 4Å
338A84.8Confident84.5Confident82 Ų8250.1 Ų50.168%0.67826%0.262SS*.Hα-helixtrans-60.4-48.3-179.700000112R336 R341 E342R336-A338 VanDerWaalsContact C-N 3.34Å; R336-A338 PolarHBondContact O-N 3.42Å; A338-R341 PolarHBondContact O-N 3.3Å; A338-E342 PolarHBondContact O-N 2.98Å; A338-E342 VanDerWaalsContact O-N 3.12Å
339F83.3Confident83.7Confident105 Ų10555.1 Ų55.146%0.46128%0.281SS..Hα-helixtrans-67.3-40.7179.8-177.2-107.1000112.4R336 E337 E342 A343R336-F339 PolarHBondContact O-N 3.25Å; E337-F339 PolarHBondContact O-N 2.82Å; F339-E342 PolarHBondContact O-N 3.46Å; F339-A343 PolarHBondContact O-N 3.46Å
340L84.8Confident82.6Confident1 Ų158.2 Ų58.21%0.00531%0.313CS..Hα-helixtrans-66.7-38.9175.9-73.4174.5000111.5W332 R336 E337 E342 A343 F344 L363 F396W332-L340 HydrophobicContact CH2-CD1 4.41Å; W332-L340 HydrophobicContact CH2-CD2 4.2Å; W332-L340 HydrophobicContact CZ3-CD1 4.06Å; W332-L340 HydrophobicContact CZ3-CD2 4.5Å; R336-L340 HydrophobicContact CB-CD1 4.26Å; R336-L340 HydrophobicContact CB-CG 4.28Å; R336-L340 WeakPolarHBondContact O-CB 3.48Å; R336-L340 WeakPolarHBondContact O-CG 3.15Å; R336-L340 PolarHBondContact O-N 3.45Å; E337-L340 PolarHBondContact O-N 3.12Å; L340-E342 VanDerWaalsContact C-N 3.32Å; L340-E342 PolarHBondContact O-N 3.38Å; L340-A343 PolarHBondContact O-N 2.88Å; L340-F344 HydrophobicContact CB-CD2 4.19Å; L340-F344 HydrophobicContact CB-CE2 3.97Å; L340-F344 HydrophobicContact CD2-CE2 4.48Å; L340-F344 WeakPolarHBondContact O-CB 3.19Å; L340-F344 WeakPolarHBondContact O-CD2 3.48Å; L340-F344 WeakPolarHBondContact O-CG 3.43Å; L340-F344 PolarHBondContact O-N 3.35Å; L340-L363 HydrophobicContact CD2-CD2 4.29Å; L340-F396 HydrophobicContact CB-CE1 4.37Å; L340-F396 HydrophobicContact CB-CZ 3.87Å; L340-F396 HydrophobicContact CD1-CE1 4.01Å; L340-F396 HydrophobicContact CD1-CZ 4.33Å
341R85.5Confident81.6Confident87 Ų8764.7 Ų64.733%0.32835%0.348SS..Hα-helixtrans-62.8-38.6175.6-77.6177.6179.8-69.5-0.9112.3E337 A338 F344 S345 N393 F396E337-R341 HydrophobicContact CG-CG 4.23Å; E337-R341 VanDerWaalsContact CG-NE 3.29Å; E337-R341 VanDerWaalsContact O-CB 3.3Å; E337-R341 WeakPolarHBondContact O-CB 3.49Å; E337-R341 WeakPolarHBondContact O-CG 3.31Å; E337-R341 PolarHBondContact O-N 3.4Å; E337-R341 IonicContact OE1-CZ 4Å; E337-R341 IonicContact OE1-NE 3.19Å; E337-R341 PolarHBondContact OE1-NE 3.34Å; E337-R341 IonicContact OE1-NH2 3.37Å; E337-R341 PolarHBondContact OE1-NH2 2.95Å; A338-R341 PolarHBondContact O-N 3.3Å; R341-F344 PolarHBondContact O-N 3.36Å; R341-S345 WeakPolarHBondContact O-CB 3.35Å; R341-S345 PolarHBondContact O-N 3.21Å; R341-N393 PolarHBondContact NH1-OD1 3.37Å; R341-N393 PolarHBondContact NH2-OD1 3.4Å; R341-F396 HydrophobicContact CG-CE2 3.83Å; R341-F396 HydrophobicContact CG-CZ 4.3Å
342E85.6Confident80.8Confident132 Ų13265.6 Ų65.662%0.61736%0.358SS*.Hα-helixtrans-63.7-51.4173.9-174.5176.9-174.400111A338 F339 L340 F344 S345A338-E342 PolarHBondContact O-N 2.98Å; A338-E342 VanDerWaalsContact O-N 3.12Å; F339-E342 PolarHBondContact O-N 3.46Å; L340-E342 VanDerWaalsContact C-N 3.32Å; L340-E342 PolarHBondContact O-N 3.38Å; E342-F344 PolarHBondContact O-N 3.03Å; E342-S345 WeakPolarHBondContact O-CB 3.45Å; E342-S345 PolarHBondContact O-N 3.28Å; E342-S345 PolarHBondContact O-OG 3.5Å
343A83.4Confident80.3Confident16 Ų1665.8 Ų65.813%0.13236%0.362CS..Hα-helixtrans-57.9-38.5177.100000112.6F339 L340 V362F339-A343 PolarHBondContact O-N 3.46Å; L340-A343 PolarHBondContact O-N 2.88Å; A343-V362 HydrophobicContact CB-CG1 4.15Å
344F83.4Confident80Confident0 Ų065.8 Ų65.80%036%0.362CS..Hα-helixtrans-74.4-28.5177.2-74.5-35.4000113.8L340 R341 E342 V346 L347 D348 I354 F359 V362 L363 I392 F396L340-F344 HydrophobicContact CB-CD2 4.19Å; L340-F344 HydrophobicContact CB-CE2 3.97Å; L340-F344 HydrophobicContact CD2-CE2 4.48Å; L340-F344 WeakPolarHBondContact O-CB 3.19Å; L340-F344 WeakPolarHBondContact O-CD2 3.48Å; L340-F344 WeakPolarHBondContact O-CG 3.43Å; L340-F344 PolarHBondContact O-N 3.35Å; R341-F344 PolarHBondContact O-N 3.36Å; E342-F344 PolarHBondContact O-N 3.03Å; F344-V346 VanDerWaalsContact C-N 3.28Å; F344-V346 PolarHBondContact O-N 3.49Å; F344-L347 CarbonylContact O-C 3.39Å; F344-L347 PolarHBondContact O-N 3.38Å; F344-D348 PolarHBondContact O-N 3.24Å; F344-D348 VanDerWaalsContact O-N 3.1Å; F344-I354 HydrophobicContact CB-CD1 3.44Å; F344-I354 VanDerWaalsContact CB-CD1 3.44Å; F344-I354 HydrophobicContact CD1-CD1 3.11Å; F344-I354 HydrophobicContact CD2-CD1 4.31Å; F344-I354 HydrophobicContact CE1-CD1 3.91Å; F344-I354 HydrophobicContact CG-CD1 3.36Å; F344-F359 HydrophobicContact CE1-CD2 4.1Å; F344-F359 HydrophobicContact CZ-CD2 4.03Å; F344-F359 HydrophobicContact CZ-CE2 4.13Å; F344-V362 HydrophobicContact CD1-CB 4.34Å; F344-V362 HydrophobicContact CD1-CG1 3.91Å; F344-V362 HydrophobicContact CD1-CG2 4.45Å; F344-V362 HydrophobicContact CE1-CB 3.8Å; F344-V362 HydrophobicContact CE1-CG1 3.48Å; F344-V362 VanDerWaalsContact CE1-CG1 3.48Å; F344-V362 HydrophobicContact CE1-CG2 4.35Å; F344-V362 HydrophobicContact CZ-CG1 4.08Å; F344-L363 HydrophobicContact CZ-CD2 4.26Å; F344-L363 HydrophobicContact CZ-CG 4.39Å; F344-I392 HydrophobicContact CB-CD1 3.95Å; F344-I392 HydrophobicContact CD2-CG2 4.02Å; F344-F396 HydrophobicContact CE2-CZ 4.44Å
345S81.2Confident79.7Confident73 Ų7364.6 Ų64.651%0.5136%0.356SS..Hα-helixtrans-65.1-31.8179.671.50000113.1R341 E342 L347 D348R341-S345 WeakPolarHBondContact O-CB 3.35Å; R341-S345 PolarHBondContact O-N 3.21Å; E342-S345 WeakPolarHBondContact O-CB 3.45Å; E342-S345 PolarHBondContact O-N 3.28Å; E342-S345 PolarHBondContact O-OG 3.5Å; S345-L347 PolarHBondContact O-N 3.33Å; S345-D348 PolarHBondContact O-N 3.42Å
346V79.8Confident79.5Confident121 Ų12164.6 Ų64.673%0.73336%0.355SS*.THydrogen-bonded Turntrans-66.4-26.2177.4-179.40000111.8F344F344-V346 VanDerWaalsContact C-N 3.28Å; F344-V346 PolarHBondContact O-N 3.49Å
347L77.8Confident79.3Confident68 Ų6866.5 Ų66.536%0.35637%0.37SS..THydrogen-bonded Turntrans-1115.1-173.6-59168.9000112.2F344 S345 I354 D358 V362F344-L347 CarbonylContact O-C 3.39Å; F344-L347 PolarHBondContact O-N 3.38Å; S345-L347 PolarHBondContact O-N 3.33Å; L347-I354 HydrophobicContact CB-CG2 4.46Å; L347-D358 HydrophobicContact CD1-CB 4.32Å; L347-V362 HydrophobicContact CD1-CG2 3.44Å; L347-V362 VanDerWaalsContact CD1-CG2 3.44Å
348D75.3Confident79.1Confident55 Ų5566 Ų6629%0.29437%0.369SS..  trans-74.8138.3-179.4-168.88.8000110.5F344 S345 G350 G352 T353F344-D348 PolarHBondContact O-N 3.24Å; F344-D348 VanDerWaalsContact O-N 3.1Å; S345-D348 PolarHBondContact O-N 3.42Å; D348-G350 PolarHBondContact O-N 2.93Å; D348-G350 PolarHBondContact OD1-N 3.27Å; D348-G352 WeakPolarHBondContact OD1-CA 3.38Å; D348-G352 PolarHBondContact OD1-N 3.39Å; D348-G352 VanDerWaalsContact OD2-CA 3.27Å; D348-G352 WeakPolarHBondContact OD2-CA 3.35Å; D348-G352 PolarHBondContact OD2-N 3.14Å; D348-G352 VanDerWaalsContact OD2-N 3.14Å; D348-T353 PolarHBondContact OD1-N 3.09Å
349R69.3Low79.1Confident150 Ų15062.1 Ų62.157%0.56634%0.337SS*.  trans-78.73.7177-62.4179179.3-178.2-2.2113.1T353 S355R349-T353 PolarHBondContact N-O 3.19Å; R349-S355 VanDerWaalsContact NH2-CB 3.27Å
350G64.9Low79.2Confident65 Ų6557.7 Ų57.767%0.6732%0.319SS*.SBendtrans96.5-11.1-177.200000114.7D348D348-G350 PolarHBondContact O-N 2.93Å; D348-G350 PolarHBondContact OD1-N 3.27Å
351D66.6Low79.1Confident139 Ų13962.3 Ų62.374%0.74334%0.342SS*.SBendtrans-104.94.3-177.2-68.1-27.6000113.4
352G70.1Confident79Confident22 Ų2258.6 Ų58.623%0.22733%0.329CS..SBendtrans76.226.4-173.300000113.5D348D348-G352 WeakPolarHBondContact OD1-CA 3.38Å; D348-G352 PolarHBondContact OD1-N 3.39Å; D348-G352 VanDerWaalsContact OD2-CA 3.27Å; D348-G352 WeakPolarHBondContact OD2-CA 3.35Å; D348-G352 PolarHBondContact OD2-N 3.14Å; D348-G352 VanDerWaalsContact OD2-N 3.14Å
353T78.3Confident78.9Confident31 Ų3152.3 Ų52.319%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-132.2138.4-178.363.60000112.3D348 R349 V390 N391D348-T353 PolarHBondContact OD1-N 3.09Å; R349-T353 PolarHBondContact N-O 3.19Å; T353-V390 WeakPolarHBondContact CA-O 2.98Å; T353-N391 HydrophobicContact CG2-CB 4.49Å
354I81Confident78.9Confident0 Ų055.2 Ų55.20%031%0.31CS..EExtended strand (participates in β ladder)trans-117.5150.2-174.5-51.9177.5000110F344 L347 D358 F359 G389 V390 I392F344-I354 HydrophobicContact CB-CD1 3.44Å; F344-I354 VanDerWaalsContact CB-CD1 3.44Å; F344-I354 HydrophobicContact CD1-CD1 3.11Å; F344-I354 HydrophobicContact CD2-CD1 4.31Å; F344-I354 HydrophobicContact CE1-CD1 3.91Å; F344-I354 HydrophobicContact CG-CD1 3.36Å; L347-I354 HydrophobicContact CB-CG2 4.46Å; I354-D358 HydrophobicContact CG2-CB 3.7Å; I354-F359 HydrophobicContact CG2-CB 4.43Å; I354-G389 CarbonylContact O-C 3.51Å; I354-G389 WeakPolarHBondContact O-CA 3.47Å; I354-V390 PolarHBondContact N-O 3.15Å; I354-V390 VanDerWaalsContact N-O 3.13Å; I354-V390 PolarHBondContact O-N 3Å; I354-I392 HydrophobicContact CD1-CD1 3.69Å; I354-I392 HydrophobicContact CD1-CG1 3.7Å; I354-I392 HydrophobicContact CG1-CD1 3.91Å; I354-I392 HydrophobicContact CG1-CG1 3.99Å
355S82.1Confident78.8Confident17 Ų1762 Ų6212%0.11934%0.342CS..  trans-64.8154.1173.397.40000111.5R349 N357 D358 F359R349-S355 VanDerWaalsContact NH2-CB 3.27Å; S355-N357 VanDerWaalsContact C-N 3.31Å; S355-N357 PolarHBondContact O-N 3.15Å; S355-D358 VanDerWaalsContact CB-OD2 3.24Å; S355-D358 WeakPolarHBondContact CB-OD2 3.44Å; S355-D358 PolarHBondContact O-N 3.47Å; S355-D358 PolarHBondContact OG-N 2.77Å; S355-D358 PolarHBondContact OG-OD2 2.98Å; S355-F359 VanDerWaalsContact O-CB 3.31Å; S355-F359 WeakPolarHBondContact O-CB 3.49Å; S355-F359 PolarHBondContact O-N 2.95Å
356K79.9Confident78.7Confident54 Ų5463.4 Ų63.424%0.23534%0.336CS..Hα-helixtrans-58.2-43.1178.9178.4-177.9176.6-161.10112.6F359 V360 A379K356-F359 PolarHBondContact O-N 3.05Å; K356-V360 WeakPolarHBondContact O-CG2 3.38Å; K356-V360 PolarHBondContact O-N 3.25Å; K356-A379 HydrophobicContact CG-CB 3.89Å
357N81.9Confident78.7Confident113 Ų11358.3 Ų58.360%0.60430%0.304SS*.Hα-helixtrans-70.4-43.5-175.6-65-7.6000110.3S355 F359 V360 M361S355-N357 VanDerWaalsContact C-N 3.31Å; S355-N357 PolarHBondContact O-N 3.15Å; N357-F359 VanDerWaalsContact C-N 3.32Å; N357-F359 PolarHBondContact O-N 3.03Å; N357-V360 PolarHBondContact O-N 2.96Å; N357-M361 WeakPolarHBondContact O-CB 2.96Å; N357-M361 WeakPolarHBondContact O-CG 3.44Å; N357-M361 PolarHBondContact O-N 3.1Å
358D83.3Confident78.4Confident54 Ų5464.2 Ų64.229%0.28933%0.33SS..Hα-helixtrans-65.5-38.3177.8-53.7-31.4000111.1L347 I354 S355 M361 V362L347-D358 HydrophobicContact CD1-CB 4.32Å; I354-D358 HydrophobicContact CG2-CB 3.7Å; S355-D358 VanDerWaalsContact CB-OD2 3.24Å; S355-D358 WeakPolarHBondContact CB-OD2 3.44Å; S355-D358 PolarHBondContact O-N 3.47Å; S355-D358 PolarHBondContact OG-N 2.77Å; S355-D358 PolarHBondContact OG-OD2 2.98Å; D358-M361 PolarHBondContact O-N 2.88Å; D358-V362 WeakPolarHBondContact O-CB 3.19Å; D358-V362 VanDerWaalsContact O-CG2 3.23Å; D358-V362 WeakPolarHBondContact O-CG2 3.2Å; D358-V362 PolarHBondContact O-N 3.01Å
359F84.2Confident78.5Confident1 Ų164.3 Ų64.30%0.00433%0.326CS..Hα-helixtrans-63-44.2175.3176.1-96.2000112.5F344 I354 S355 K356 N357 L363 A379 V390 F395F344-F359 HydrophobicContact CE1-CD2 4.1Å; F344-F359 HydrophobicContact CZ-CD2 4.03Å; F344-F359 HydrophobicContact CZ-CE2 4.13Å; I354-F359 HydrophobicContact CG2-CB 4.43Å; S355-F359 VanDerWaalsContact O-CB 3.31Å; S355-F359 WeakPolarHBondContact O-CB 3.49Å; S355-F359 PolarHBondContact O-N 2.95Å; K356-F359 PolarHBondContact O-N 3.05Å; N357-F359 VanDerWaalsContact C-N 3.32Å; N357-F359 PolarHBondContact O-N 3.03Å; F359-L363 HydrophobicContact CD1-CD1 4.15Å; F359-L363 HydrophobicContact CD2-CD1 4.34Å; F359-L363 HydrophobicContact CE1-CD1 3.54Å; F359-L363 HydrophobicContact CE2-CD1 3.76Å; F359-L363 HydrophobicContact CZ-CD1 3.32Å; F359-L363 WeakPolarHBondContact O-CG 3.24Å; F359-L363 PolarHBondContact O-N 3.32Å; F359-A379 HydrophobicContact CD1-CB 3.92Å; F359-A379 HydrophobicContact CE1-CB 4.23Å; F359-V390 HydrophobicContact CB-CG2 4.33Å; F359-V390 HydrophobicContact CD1-CG2 4.32Å; F359-V390 HydrophobicContact CD2-CB 4.26Å; F359-V390 HydrophobicContact CD2-CG1 3.91Å; F359-V390 HydrophobicContact CE2-CG1 3.89Å; F359-V390 HydrophobicContact CG-CB 4.31Å; F359-V390 HydrophobicContact CG-CG1 4.28Å; F359-V390 HydrophobicContact CG-CG2 4.16Å; F359-V390 HydrophobicContact CZ-CG1 4.24Å; F359-F395 HydrophobicContact CE2-CD1 4.11Å; F359-F395 HydrophobicContact CE2-CD2 4.11Å; F359-F395 HydrophobicContact CE2-CE1 4.3Å; F359-F395 HydrophobicContact CE2-CE2 4.31Å; F359-F395 HydrophobicContact CE2-CG 4.01Å; F359-F395 HydrophobicContact CE2-CZ 4.39Å; F359-F395 HydrophobicContact CZ-CD1 4.41Å; F359-F395 AromaticContact CZ-CD2 3.66Å; F359-F395 HydrophobicContact CZ-CD2 3.66Å; F359-F395 HydrophobicContact CZ-CE1 4.4Å; F359-F395 AromaticContact CZ-CE2 3.66Å; F359-F395 HydrophobicContact CZ-CE2 3.66Å; F359-F395 HydrophobicContact CZ-CG 4.05Å; F359-F395 HydrophobicContact CZ-CZ 4.04Å
360V84.4Confident78.9Confident12 Ų1257.8 Ų57.87%0.07331%0.305CS..Hα-helixtrans-67.5-46177.6172.10000110.3K356 N357 V362 L363 E364 L375K356-V360 WeakPolarHBondContact O-CG2 3.38Å; K356-V360 PolarHBondContact O-N 3.25Å; N357-V360 PolarHBondContact O-N 2.96Å; V360-V362 PolarHBondContact O-N 2.74Å; V360-L363 PolarHBondContact O-N 3.48Å; V360-E364 VanDerWaalsContact CG1-CD 3.44Å; V360-E364 HydrophobicContact CG1-CG 3.95Å; V360-E364 WeakPolarHBondContact CG1-OE1 3.15Å; V360-E364 WeakPolarHBondContact O-CB 3.31Å; V360-E364 WeakPolarHBondContact O-CG 3.48Å; V360-E364 PolarHBondContact O-N 2.62Å; V360-L375 HydrophobicContact CG1-CB 4.28Å; V360-L375 HydrophobicContact CG2-CB 4.14Å
361M83.5Confident79.7Confident98 Ų9857.2 Ų57.248%0.48329%0.29SS..Hα-helixtrans-57-51.5178.1-78.5-179.15800112.7N357 D358 L363 E364 E365N357-M361 WeakPolarHBondContact O-CB 2.96Å; N357-M361 WeakPolarHBondContact O-CG 3.44Å; N357-M361 PolarHBondContact O-N 3.1Å; D358-M361 PolarHBondContact O-N 2.88Å; M361-L363 PolarHBondContact O-N 3.4Å; M361-E364 PolarHBondContact O-N 3.16Å; M361-E365 WeakPolarHBondContact O-CG 3.25Å; M361-E365 PolarHBondContact O-N 2.99Å
362V83.3Confident80.3Confident10 Ų1053.5 Ų53.56%0.06128%0.276CS..Hα-helixtrans-60.4-34.8-178.7170.30000111.8A343 F344 L347 D358 V360 R366A343-V362 HydrophobicContact CB-CG1 4.15Å; F344-V362 HydrophobicContact CD1-CB 4.34Å; F344-V362 HydrophobicContact CD1-CG1 3.91Å; F344-V362 HydrophobicContact CD1-CG2 4.45Å; F344-V362 HydrophobicContact CE1-CB 3.8Å; F344-V362 HydrophobicContact CE1-CG1 3.48Å; F344-V362 VanDerWaalsContact CE1-CG1 3.48Å; F344-V362 HydrophobicContact CE1-CG2 4.35Å; F344-V362 HydrophobicContact CZ-CG1 4.08Å; L347-V362 HydrophobicContact CD1-CG2 3.44Å; L347-V362 VanDerWaalsContact CD1-CG2 3.44Å; D358-V362 WeakPolarHBondContact O-CB 3.19Å; D358-V362 VanDerWaalsContact O-CG2 3.23Å; D358-V362 WeakPolarHBondContact O-CG2 3.2Å; D358-V362 PolarHBondContact O-N 3.01Å; V360-V362 PolarHBondContact O-N 2.74Å; V362-R366 VanDerWaalsContact O-CD 3.24Å; V362-R366 WeakPolarHBondContact O-CD 3.42Å; V362-R366 VanDerWaalsContact O-CG 3.24Å; V362-R366 WeakPolarHBondContact O-CG 3.3Å
363L83.3Confident80.9Confident0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-77.7-46.4177.2-69.4177.9000111.4W332 L340 F344 F359 V360 M361 E365 R366 Q367 L375 F395W332-L363 HydrophobicContact CH2-CD2 4.44Å; W332-L363 HydrophobicContact CZ3-CD2 3.94Å; L340-L363 HydrophobicContact CD2-CD2 4.29Å; F344-L363 HydrophobicContact CZ-CD2 4.26Å; F344-L363 HydrophobicContact CZ-CG 4.39Å; F359-L363 HydrophobicContact CD1-CD1 4.15Å; F359-L363 HydrophobicContact CD2-CD1 4.34Å; F359-L363 HydrophobicContact CE1-CD1 3.54Å; F359-L363 HydrophobicContact CE2-CD1 3.76Å; F359-L363 HydrophobicContact CZ-CD1 3.32Å; F359-L363 WeakPolarHBondContact O-CG 3.24Å; F359-L363 PolarHBondContact O-N 3.32Å; V360-L363 PolarHBondContact O-N 3.48Å; M361-L363 PolarHBondContact O-N 3.4Å; L363-E365 VanDerWaalsContact C-N 3.33Å; L363-E365 PolarHBondContact O-N 3.26Å; L363-R366 PolarHBondContact O-N 3.37Å; L363-Q367 HydrophobicContact CB-CG 4.48Å; L363-Q367 WeakPolarHBondContact O-CG 3.47Å; L363-Q367 PolarHBondContact O-N 3.4Å; L363-L375 HydrophobicContact CB-CD1 4.2Å; L363-L375 HydrophobicContact CB-CD2 4.18Å; L363-L375 HydrophobicContact CD1-CD2 3.91Å; L363-F395 HydrophobicContact CD1-CZ 4.09Å
364E83.8Confident81.2Confident76 Ų7661.4 Ų61.436%0.35530%0.304SS..Hα-helixtrans-57.3-41.7178.9-77.9179.4175.300113.1V360 M361 R366 S372 L375V360-E364 VanDerWaalsContact CG1-CD 3.44Å; V360-E364 HydrophobicContact CG1-CG 3.95Å; V360-E364 WeakPolarHBondContact CG1-OE1 3.15Å; V360-E364 WeakPolarHBondContact O-CB 3.31Å; V360-E364 WeakPolarHBondContact O-CG 3.48Å; V360-E364 PolarHBondContact O-N 2.62Å; M361-E364 PolarHBondContact O-N 3.16Å; E364-R366 PolarHBondContact O-N 3.1Å; E364-R366 VanDerWaalsContact O-N 3.16Å; E364-S372 WeakPolarHBondContact OE1-CA 3.34Å; E364-S372 WeakPolarHBondContact OE1-CB 2.94Å; E364-S372 PolarHBondContact OE1-OG 3.06Å; E364-L375 HydrophobicContact CG-CD1 3.6Å
365E80.8Confident81.2Confident142 Ų14261.4 Ų61.466%0.66430%0.304SS*.THydrogen-bonded Turntrans-65.4-17.7178.4-73.2177.4178.300113.3M361 L363M361-E365 WeakPolarHBondContact O-CG 3.25Å; M361-E365 PolarHBondContact O-N 2.99Å; L363-E365 VanDerWaalsContact C-N 3.33Å; L363-E365 PolarHBondContact O-N 3.26Å
366R79.8Confident81.2Confident104 Ų10462.2 Ų62.239%0.39231%0.309SS..THydrogen-bonded Turntrans-121.9-11.4-165.7-61.2-179.2-171.7-86.14.1114.4W332 V362 L363 E364W332-R366 HydrophobicContact CH2-CB 4.13Å; W332-R366 HydrophobicContact CZ2-CB 4.35Å; W332-R366 VanDerWaalsContact CZ2-O 3.3Å; W332-R366 WeakPolarHBondContact CZ2-O 3.45Å; V362-R366 VanDerWaalsContact O-CD 3.24Å; V362-R366 WeakPolarHBondContact O-CD 3.42Å; V362-R366 VanDerWaalsContact O-CG 3.24Å; V362-R366 WeakPolarHBondContact O-CG 3.3Å; L363-R366 PolarHBondContact O-N 3.37Å; E364-R366 PolarHBondContact O-N 3.1Å; E364-R366 VanDerWaalsContact O-N 3.16Å
367Q78.6Confident81.4Confident13 Ų1361.7 Ų61.76%0.06131%0.314CS..  trans-136149.3179.559.1129.7-11.100113L329 W332 L363 Y369 A370L329-Q367 HydrophobicContact CD1-CG 4.44Å; W332-Q367 HydrophobicContact CE3-CB 4.43Å; W332-Q367 HydrophobicContact CH2-CB 3.83Å; W332-Q367 HydrophobicContact CH2-CG 4.33Å; W332-Q367 HydrophobicContact CZ2-CB 3.98Å; W332-Q367 HydrophobicContact CZ3-CB 4.06Å; W332-Q367 HydrophobicContact CZ3-CG 4.34Å; L363-Q367 HydrophobicContact CB-CG 4.48Å; L363-Q367 WeakPolarHBondContact O-CG 3.47Å; L363-Q367 PolarHBondContact O-N 3.4Å; Q367-Y369 HydrophobicContact CB-CD2 4.26Å; Q367-A370 VanDerWaalsContact OE1-N 3.09Å
368E72.8Confident81.4Confident192 Ų19256.5 Ų56.590%0.89729%0.287SS*.SBendtrans-107.10.8-179.5-62.5177.8176.800112.7
369Y75.9Confident81.3Confident57 Ų5754 Ų5422%0.22427%0.273CS..SBendtrans-91.2-27.9-164.8-52-57.9000115.2A239 N241 R328 W332 Q367A239-Y369 PolarHBondContact O-OH 3.12Å; N241-Y369 HydrophobicContact CB-CE1 3.84Å; R328-Y369 HydrophobicContact CG-CD1 4.42Å; R328-Y369 HydrophobicContact CG-CD2 4.4Å; R328-Y369 HydrophobicContact CG-CG 4.29Å; W332-Y369 HydrophobicContact CB-CE2 4.39Å; W332-Y369 AromaticContact CD1-CE2 3.82Å; W332-Y369 HydrophobicContact CG-CD2 4.49Å; W332-Y369 HydrophobicContact CG-CE2 4.01Å; Q367-Y369 HydrophobicContact CB-CD2 4.26Å
370A78.9Confident81.2Confident13 Ų1359.1 Ų59.111%0.10730%0.297CS..SBendtrans-121.8138.5-176.700000111W325 L329 Q367 Q374 L375W325-A370 HydrophobicContact CE3-CB 3.9Å; W325-A370 HydrophobicContact CZ3-CB 4.17Å; L329-A370 HydrophobicContact CD2-CB 4.27Å; Q367-A370 VanDerWaalsContact OE1-N 3.09Å; A370-Q374 HydrophobicContact CB-CB 4.36Å; A370-L375 HydrophobicContact CB-CD2 4.04Å; A370-L375 HydrophobicContact CB-CG 4.04Å
371S80.7Confident80.9Confident53 Ų5363.3 Ų63.337%0.37132%0.318SS..  trans-72158.117667.90000111.7E373 Q374 L375S371-E373 PolarHBondContact O-N 2.8Å; S371-Q374 WeakPolarHBondContact O-CA 3.45Å; S371-Q374 WeakPolarHBondContact O-CB 3.3Å; S371-Q374 PolarHBondContact O-N 2.67Å; S371-Q374 VanDerWaalsContact OG-CG 3.26Å; S371-Q374 WeakPolarHBondContact OG-CG 3.15Å; S371-Q374 PolarHBondContact OG-N 3.25Å; S371-L375 PolarHBondContact O-N 2.87Å
372S80.6Confident80.5Confident62 Ų6259 Ų5943%0.43430%0.297SS..Hα-helixtrans-48.6-46175.2-172.60000112.5E364 Q374 L375 T376E364-S372 WeakPolarHBondContact OE1-CA 3.34Å; E364-S372 WeakPolarHBondContact OE1-CB 2.94Å; E364-S372 PolarHBondContact OE1-OG 3.06Å; S372-Q374 VanDerWaalsContact C-N 3.33Å; S372-Q374 PolarHBondContact O-N 3.24Å; S372-L375 PolarHBondContact O-N 3.17Å; S372-T376 WeakPolarHBondContact O-CB 3.48Å; S372-T376 PolarHBondContact O-N 3.1Å; S372-T376 PolarHBondContact O-OG1 2.9Å
373E82Confident80.1Confident161 Ų16161.2 Ų61.275%0.75231%0.307SS*.Hα-helixtrans-61.7-37.8178.2-60.9-179.3171.900113.1S371 T376 A377S371-E373 PolarHBondContact O-N 2.8Å; E373-T376 WeakPolarHBondContact O-CB 3.44Å; E373-A377 WeakPolarHBondContact O-CB 3.36Å; E373-A377 PolarHBondContact O-N 3.22Å
374Q83.6Confident79.2Confident57 Ų5768 Ų6827%0.26634%0.337SS..Hα-helixtrans-70.7-39.5179.4-73.1170-5.400112W325 A370 S371 S372 T376 A377 I378W325-Q374 HydrophobicContact CE3-CB 4.37Å; W325-Q374 HydrophobicContact CH2-CB 3.63Å; W325-Q374 HydrophobicContact CH2-CG 3.88Å; W325-Q374 HydrophobicContact CZ2-CB 4.1Å; W325-Q374 HydrophobicContact CZ2-CG 3.8Å; W325-Q374 HydrophobicContact CZ3-CB 3.76Å; W325-Q374 HydrophobicContact CZ3-CG 4.28Å; A370-Q374 HydrophobicContact CB-CB 4.36Å; S371-Q374 WeakPolarHBondContact O-CA 3.45Å; S371-Q374 WeakPolarHBondContact O-CB 3.3Å; S371-Q374 PolarHBondContact O-N 2.67Å; S371-Q374 VanDerWaalsContact OG-CG 3.26Å; S371-Q374 WeakPolarHBondContact OG-CG 3.15Å; S371-Q374 PolarHBondContact OG-N 3.25Å; S372-Q374 VanDerWaalsContact C-N 3.33Å; S372-Q374 PolarHBondContact O-N 3.24Å; Q374-T376 VanDerWaalsContact C-N 3.35Å; Q374-A377 PolarHBondContact O-N 3.16Å; Q374-I378 WeakPolarHBondContact O-CG1 3.35Å; Q374-I378 PolarHBondContact O-N 2.96Å
375L82.6Confident78.2Confident0 Ų069.4 Ų69.40%035%0.35CS..Hα-helixtrans-67.7-40.1175.3-66.2166.3000111.5L329 V360 L363 E364 A370 S371 S372 A377 I378 A379L329-L375 HydrophobicContact CD2-CD2 3.78Å; V360-L375 HydrophobicContact CG1-CB 4.28Å; V360-L375 HydrophobicContact CG2-CB 4.14Å; L363-L375 HydrophobicContact CB-CD1 4.2Å; L363-L375 HydrophobicContact CB-CD2 4.18Å; L363-L375 HydrophobicContact CD1-CD2 3.91Å; E364-L375 HydrophobicContact CG-CD1 3.6Å; A370-L375 HydrophobicContact CB-CD2 4.04Å; A370-L375 HydrophobicContact CB-CG 4.04Å; S371-L375 PolarHBondContact O-N 2.87Å; S372-L375 PolarHBondContact O-N 3.17Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 3.3Å; L375-I378 PolarHBondContact O-N 2.9Å; L375-A379 PolarHBondContact O-N 3.34Å
376T82.3Confident77Confident34 Ų3474.6 Ų74.621%0.20936%0.364CS..Hα-helixtrans-58.6-41.4173.4-52.20000111.2S372 E373 Q374 A379 Q380S372-T376 WeakPolarHBondContact O-CB 3.48Å; S372-T376 PolarHBondContact O-N 3.1Å; S372-T376 PolarHBondContact O-OG1 2.9Å; E373-T376 WeakPolarHBondContact O-CB 3.44Å; Q374-T376 VanDerWaalsContact C-N 3.35Å; T376-A379 PolarHBondContact O-N 2.76Å; T376-Q380 WeakPolarHBondContact O-CG 3.48Å; T376-Q380 PolarHBondContact O-N 2.99Å
377A82.6Confident76Confident43 Ų4372.4 Ų72.436%0.35537%0.374SS..Hα-helixtrans-67.9-39176.300000112.6E373 Q374 L375 Q380 L381E373-A377 WeakPolarHBondContact O-CB 3.36Å; E373-A377 PolarHBondContact O-N 3.22Å; Q374-A377 PolarHBondContact O-N 3.16Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 3.3Å; A377-Q380 PolarHBondContact O-N 3.29Å; A377-L381 WeakPolarHBondContact O-CG 3.48Å; A377-L381 PolarHBondContact O-N 2.81Å
378I83.3Confident75.3Confident5 Ų573.5 Ų73.53%0.02639%0.388CS..Hα-helixtrans-63.9-46.1173.7-69.3171.1000110.2W325 L329 Q374 L375 Q380 L381 H382 F395 Y401W325-I378 HydrophobicContact CH2-CD1 4.13Å; W325-I378 HydrophobicContact CZ3-CD1 3.79Å; L329-I378 HydrophobicContact CD2-CD1 3.55Å; Q374-I378 WeakPolarHBondContact O-CG1 3.35Å; Q374-I378 PolarHBondContact O-N 2.96Å; L375-I378 PolarHBondContact O-N 2.9Å; I378-Q380 VanDerWaalsContact C-N 3.3Å; I378-Q380 PolarHBondContact O-N 3.18Å; I378-L381 WeakPolarHBondContact O-CB 3.44Å; I378-L381 PolarHBondContact O-N 3.16Å; I378-H382 PolarHBondContact O-CD2 2.8Å; I378-H382 VanDerWaalsContact O-CD2 3.28Å; I378-H382 PolarHBondContact O-N 2.69Å; I378-F395 HydrophobicContact CG2-CD2 4.35Å; I378-F395 HydrophobicContact CG2-CE2 4.32Å; I378-Y401 HydrophobicContact CD1-CD2 4.33Å; I378-Y401 HydrophobicContact CG1-CG 4.39Å; I378-Y401 HydrophobicContact CG2-CD1 3.96Å; I378-Y401 HydrophobicContact CG2-CE1 4.31Å; I378-Y401 HydrophobicContact CG2-CG 4.3Å
379A80.7Confident75.1Confident0 Ų064.9 Ų64.90%035%0.351CS..Hα-helixtrans-57.2-43.7177.800000111.7K356 F359 L375 T376 L381 H382 E383 V390K356-A379 HydrophobicContact CG-CB 3.89Å; F359-A379 HydrophobicContact CD1-CB 3.92Å; F359-A379 HydrophobicContact CE1-CB 4.23Å; L375-A379 PolarHBondContact O-N 3.34Å; T376-A379 PolarHBondContact O-N 2.76Å; A379-L381 VanDerWaalsContact C-N 3.32Å; A379-L381 PolarHBondContact O-N 3.21Å; A379-H382 PolarHBondContact O-N 3.39Å; A379-H382 VanDerWaalsContact O-N 3.08Å; A379-E383 PolarHBondContact O-N 3.01Å; A379-V390 HydrophobicContact CB-CG2 3.98Å
380Q81.8Confident75.2Confident110 Ų11062.1 Ų62.151%0.51434%0.34SS..Hα-helixtrans-60-36.2175.1-75.9173.2-10.400113.5T376 A377 I378 H382 E383T376-Q380 WeakPolarHBondContact O-CG 3.48Å; T376-Q380 PolarHBondContact O-N 2.99Å; A377-Q380 PolarHBondContact O-N 3.29Å; I378-Q380 VanDerWaalsContact C-N 3.3Å; I378-Q380 PolarHBondContact O-N 3.18Å; Q380-H382 PolarHBondContact O-N 2.88Å; Q380-E383 PolarHBondContact O-N 3.34Å
381L78.9Confident75.4Confident99 Ų9964 Ų6452%0.51835%0.348SS..Hα-helixtrans-69.2-19.4177.2-70.5170.3000113.3A377 I378 A379A377-L381 WeakPolarHBondContact O-CG 3.48Å; A377-L381 PolarHBondContact O-N 2.81Å; I378-L381 WeakPolarHBondContact O-CB 3.44Å; I378-L381 PolarHBondContact O-N 3.16Å; A379-L381 VanDerWaalsContact C-N 3.32Å; A379-L381 PolarHBondContact O-N 3.21Å
382H75.3Confident75.4Confident8 Ų862.2 Ų62.24%0.03733%0.334CS..Hα-helixtrans-93.3-18.5178.3-79.4-82000113.4I378 A379 Q380 K384 V390 E394 Y401I378-H382 PolarHBondContact O-CD2 2.8Å; I378-H382 VanDerWaalsContact O-CD2 3.28Å; I378-H382 PolarHBondContact O-N 2.69Å; A379-H382 PolarHBondContact O-N 3.39Å; A379-H382 VanDerWaalsContact O-N 3.08Å; Q380-H382 PolarHBondContact O-N 2.88Å; H382-K384 PolarHBondContact O-N 2.98Å; H382-V390 HydrophobicContact CB-CG1 3.98Å; H382-V390 HydrophobicContact CB-CG2 4.49Å; H382-E394 PolarHBondContact CE1-O 3.32Å; H382-Y401 AromaticContact NE2-CD1 3.46Å; H382-Y401 WeakPolarHBondContact NE2-CD1 3.43Å; H382-Y401 AromaticContact NE2-CE1 3.8Å
383E74.1Confident75.5Confident56 Ų5663 Ų6326%0.26233%0.334SS..  trans-74.5110.1174-65.9-170.6173.500110.8A379 Q380 G388A379-E383 PolarHBondContact O-N 3.01Å; Q380-E383 PolarHBondContact O-N 3.34Å; E383-G388 WeakPolarHBondContact CG-O 3.42Å
384K64.3Low75.4Confident144 Ų14457.1 Ų57.163%0.62631%0.306SS*.SBendtrans-80.8-23.9174.1-68.9175.2-171.9161.70112.8H382 E394H382-K384 PolarHBondContact O-N 2.98Å; K384-E394 IonicContact NZ-OE1 2.72Å; K384-E394 PolarHBondContact NZ-OE1 3.24Å; K384-E394 IonicContact NZ-OE2 3.41Å
385T62.1Low75.5Confident105 Ų10554.4 Ų54.464%0.64429%0.294SS*.SBendtrans-140.3140.7-179.2-400000107.8G387 G388T385-G387 PolarHBondContact O-N 3.37Å; T385-G388 PolarHBondContact O-N 3.45Å
386R56.2Low75.5Confident251 Ų25155.1 Ų55.195%0.94730%0.297SS*.THydrogen-bonded Turntrans-54.7115177.9-79.7-176.1175.3-179.2-1.5109.8
387G58.6Low75.5Confident58 Ų5859.6 Ų59.660%0.59831%0.313SS*.THydrogen-bonded Turntrans91.9-2.9-177.900000115.9T385 G389T385-G387 PolarHBondContact O-N 3.37Å; G387-G389 PolarHBondContact O-N 3.46Å
388G63.8Low75.4Confident35 Ų3557.6 Ų57.636%0.36130%0.296SS..  trans-80.6105.3169.600000109.5E383 T385E383-G388 WeakPolarHBondContact CG-O 3.42Å; T385-G388 PolarHBondContact O-N 3.45Å
389G69.2Low75.3Confident11 Ų1160.5 Ų60.511%0.11331%0.314CS..  trans-55170.2-172.100000116I354 G387 N391I354-G389 CarbonylContact O-C 3.51Å; I354-G389 WeakPolarHBondContact O-CA 3.47Å; G387-G389 PolarHBondContact O-N 3.46Å; G389-N391 PolarHBondContact O-N 2.65Å
390V79Confident75.3Confident0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-72.3122.3-178.5-1790000109.9T353 I354 F359 A379 H382 I392T353-V390 WeakPolarHBondContact CA-O 2.98Å; I354-V390 PolarHBondContact N-O 3.15Å; I354-V390 VanDerWaalsContact N-O 3.13Å; I354-V390 PolarHBondContact O-N 3Å; F359-V390 HydrophobicContact CB-CG2 4.33Å; F359-V390 HydrophobicContact CD1-CG2 4.32Å; F359-V390 HydrophobicContact CD2-CB 4.26Å; F359-V390 HydrophobicContact CD2-CG1 3.91Å; F359-V390 HydrophobicContact CE2-CG1 3.89Å; F359-V390 HydrophobicContact CG-CB 4.31Å; F359-V390 HydrophobicContact CG-CG1 4.28Å; F359-V390 HydrophobicContact CG-CG2 4.16Å; F359-V390 HydrophobicContact CZ-CG1 4.24Å; A379-V390 HydrophobicContact CB-CG2 3.98Å; H382-V390 HydrophobicContact CB-CG1 3.98Å; H382-V390 HydrophobicContact CB-CG2 4.49Å; V390-I392 PolarHBondContact O-N 3.44Å
391N82.6Confident75.3Confident52 Ų5261.9 Ų61.928%0.27832%0.315SS..EExtended strand (participates in β ladder)trans-79.4114.6174.1-172.4-55.7000110.7T353 G389 N393 E394 F395T353-N391 HydrophobicContact CG2-CB 4.49Å; G389-N391 PolarHBondContact O-N 2.65Å; N391-N393 VanDerWaalsContact C-N 3.29Å; N391-N393 PolarHBondContact O-N 3.29Å; N391-N393 WeakPolarHBondContact OD1-CB 3.35Å; N391-N393 PolarHBondContact OD1-N 2.95Å; N391-E394 HydrophobicContact CB-CB 4.24Å; N391-E394 HydrophobicContact CB-CG 4.33Å; N391-E394 PolarHBondContact O-N 3.08Å; N391-E394 VanDerWaalsContact O-N 3.12Å; N391-E394 PolarHBondContact OD1-N 3.12Å; N391-F395 PolarHBondContact O-N 2.91Å
392I79.6Confident75.5Confident16 Ų1657.6 Ų57.68%0.08229%0.293CS..Hα-helixtrans-58.9-39.5-175.9-55.4161.5000111.6F344 I354 V390 F395 F396F344-I392 HydrophobicContact CB-CD1 3.95Å; F344-I392 HydrophobicContact CD2-CG2 4.02Å; I354-I392 HydrophobicContact CD1-CD1 3.69Å; I354-I392 HydrophobicContact CD1-CG1 3.7Å; I354-I392 HydrophobicContact CG1-CD1 3.91Å; I354-I392 HydrophobicContact CG1-CG1 3.99Å; V390-I392 PolarHBondContact O-N 3.44Å; I392-F395 WeakPolarHBondContact O-CB 3.41Å; I392-F395 PolarHBondContact O-N 3.5Å; I392-F396 HydrophobicContact CG2-CD2 3.87Å; I392-F396 HydrophobicContact CG2-CE2 3.4Å; I392-F396 HydrophobicContact CG2-CZ 4.38Å; I392-F396 WeakPolarHBondContact O-CD2 3.42Å; I392-F396 PolarHBondContact O-N 2.94Å
393N82.3Confident75.8Confident78 Ų7860.7 Ų60.742%0.41731%0.31SS..Hα-helixtrans-73.6-28.1-179.2-68.1-33.9000113R341 N391 K397R341-N393 PolarHBondContact NH1-OD1 3.37Å; R341-N393 PolarHBondContact NH2-OD1 3.4Å; N391-N393 VanDerWaalsContact C-N 3.29Å; N391-N393 PolarHBondContact O-N 3.29Å; N391-N393 WeakPolarHBondContact OD1-CB 3.35Å; N391-N393 PolarHBondContact OD1-N 2.95Å; N393-K397 WeakPolarHBondContact O-CD 3.45Å; N393-K397 VanDerWaalsContact O-CG 3.28Å; N393-K397 WeakPolarHBondContact O-CG 3.49Å
394E81.3Confident76Confident38 Ų3865.6 Ų65.618%0.17833%0.33CS..Hα-helixtrans-75.8-31.9171.3-71.9-159.9-174.700111.5H382 K384 N391 K397 R400H382-E394 PolarHBondContact CE1-O 3.32Å; K384-E394 IonicContact NZ-OE1 2.72Å; K384-E394 PolarHBondContact NZ-OE1 3.24Å; K384-E394 IonicContact NZ-OE2 3.41Å; N391-E394 HydrophobicContact CB-CB 4.24Å; N391-E394 HydrophobicContact CB-CG 4.33Å; N391-E394 PolarHBondContact O-N 3.08Å; N391-E394 VanDerWaalsContact O-N 3.12Å; N391-E394 PolarHBondContact OD1-N 3.12Å; E394-K397 PolarHBondContact O-N 2.8Å; E394-R400 IonicContact OE1-NH2 3.66Å; E394-R400 IonicContact OE2-CZ 2.83Å; E394-R400 IonicContact OE2-NE 3.52Å; E394-R400 PolarHBondContact OE2-NE 3.01Å; E394-R400 IonicContact OE2-NH2 2.84Å; E394-R400 PolarHBondContact OE2-NH2 2.88Å; E394-R400 VanDerWaalsContact OE2-NH2 3.14Å
395F84.6Confident76.7Confident0 Ų060.8 Ų60.80%032%0.315CS..Hα-helixtrans-62.9-52.7176.9170.7-111000112.3F359 L363 I378 N391 I392 K397 G398 Y401F359-F395 HydrophobicContact CE2-CD1 4.11Å; F359-F395 HydrophobicContact CE2-CD2 4.11Å; F359-F395 HydrophobicContact CE2-CE1 4.3Å; F359-F395 HydrophobicContact CE2-CE2 4.31Å; F359-F395 HydrophobicContact CE2-CG 4.01Å; F359-F395 HydrophobicContact CE2-CZ 4.39Å; F359-F395 HydrophobicContact CZ-CD1 4.41Å; F359-F395 AromaticContact CZ-CD2 3.66Å; F359-F395 HydrophobicContact CZ-CD2 3.66Å; F359-F395 HydrophobicContact CZ-CE1 4.4Å; F359-F395 AromaticContact CZ-CE2 3.66Å; F359-F395 HydrophobicContact CZ-CE2 3.66Å; F359-F395 HydrophobicContact CZ-CG 4.05Å; F359-F395 HydrophobicContact CZ-CZ 4.04Å; L363-F395 HydrophobicContact CD1-CZ 4.09Å; I378-F395 HydrophobicContact CG2-CD2 4.35Å; I378-F395 HydrophobicContact CG2-CE2 4.32Å; N391-F395 PolarHBondContact O-N 2.91Å; I392-F395 WeakPolarHBondContact O-CB 3.41Å; I392-F395 PolarHBondContact O-N 3.5Å; F395-K397 PolarHBondContact O-N 2.96Å; F395-K397 VanDerWaalsContact O-N 3.16Å; F395-G398 PolarHBondContact O-N 3.44Å; F395-Y401 AromaticContact CD2-CE1 3.93Å; F395-Y401 HydrophobicContact CD2-CE1 3.93Å; F395-Y401 HydrophobicContact CE2-CE1 4.18Å
396F83.3Confident77.6Confident15 Ų1556.6 Ų56.67%0.06629%0.288CS..Hα-helixtrans-63.5-21.7177.7-69.4-59.6000113.7S333 E337 L340 R341 F344 I392 G398S333-F396 WeakPolarHBondContact O-CE1 3.08Å; E337-F396 HydrophobicContact CB-CD1 4.45Å; E337-F396 HydrophobicContact CB-CE1 4.14Å; E337-F396 HydrophobicContact CB-CZ 4.35Å; E337-F396 HydrophobicContact CG-CD1 4.3Å; E337-F396 HydrophobicContact CG-CD2 4.23Å; E337-F396 HydrophobicContact CG-CE1 4.14Å; E337-F396 HydrophobicContact CG-CE2 4.03Å; E337-F396 HydrophobicContact CG-CG 4.36Å; E337-F396 HydrophobicContact CG-CZ 4Å; L340-F396 HydrophobicContact CB-CE1 4.37Å; L340-F396 HydrophobicContact CB-CZ 3.87Å; L340-F396 HydrophobicContact CD1-CE1 4.01Å; L340-F396 HydrophobicContact CD1-CZ 4.33Å; R341-F396 HydrophobicContact CG-CE2 3.83Å; R341-F396 HydrophobicContact CG-CZ 4.3Å; F344-F396 HydrophobicContact CE2-CZ 4.44Å; I392-F396 HydrophobicContact CG2-CD2 3.87Å; I392-F396 HydrophobicContact CG2-CE2 3.4Å; I392-F396 HydrophobicContact CG2-CZ 4.38Å; I392-F396 WeakPolarHBondContact O-CD2 3.42Å; I392-F396 PolarHBondContact O-N 2.94Å; F396-G398 VanDerWaalsContact C-N 3.29Å; F396-G398 PolarHBondContact O-N 3.16Å
397K81.8Confident78.9Confident128 Ų12845.3 Ų45.356%0.55725%0.246SC*.THydrogen-bonded Turntrans-73.8-19.1173.6-74.7172-172.8170.30112.8N393 E394 F395 T399 V407N393-K397 WeakPolarHBondContact O-CD 3.45Å; N393-K397 VanDerWaalsContact O-CG 3.28Å; N393-K397 WeakPolarHBondContact O-CG 3.49Å; E394-K397 PolarHBondContact O-N 2.8Å; F395-K397 PolarHBondContact O-N 2.96Å; F395-K397 VanDerWaalsContact O-N 3.16Å; K397-T399 WeakPolarHBondContact O-CG2 3.47Å; K397-T399 PolarHBondContact O-N 2.97Å; K397-V407 WeakPolarHBondContact O-CG1 3.46Å
398G81.1Confident79.9Confident0 Ų044 Ų440%023%0.226CC..  trans65.2-10178.600000116.6F395 F396 R400 Y401 L402F395-G398 PolarHBondContact O-N 3.44Å; F396-G398 VanDerWaalsContact C-N 3.29Å; F396-G398 PolarHBondContact O-N 3.16Å; G398-R400 PolarHBondContact O-N 3.47Å; G398-Y401 PolarHBondContact O-N 3.23Å; G398-L402 WeakPolarHBondContact O-CB 3.47Å; G398-L402 PolarHBondContact O-N 3.17Å
399T82.1Confident80.2Confident66 Ų6645.8 Ų45.841%0.40524%0.244SC..THydrogen-bonded Turntrans-68.5-10.5-168.955.70000115.9K397 K404K397-T399 WeakPolarHBondContact O-CG2 3.47Å; K397-T399 PolarHBondContact O-N 2.97Å; T399-K404 HydrophobicContact CG2-CG 4.25Å
400R79.6Confident80.5Confident116 Ų11646.8 Ų46.844%0.43825%0.249SC..THydrogen-bonded Turntrans-87.7-34.9179.7-70.3-74.2-175.4-171.8-8.2112.6E394 G398E394-R400 IonicContact OE1-NH2 3.66Å; E394-R400 IonicContact OE2-CZ 2.83Å; E394-R400 IonicContact OE2-NE 3.52Å; E394-R400 PolarHBondContact OE2-NE 3.01Å; E394-R400 IonicContact OE2-NH2 2.84Å; E394-R400 PolarHBondContact OE2-NH2 2.88Å; E394-R400 VanDerWaalsContact OE2-NH2 3.14Å; G398-R400 PolarHBondContact O-N 3.47Å
401Y81.6Confident80.4Confident24 Ų2447.6 Ų47.69%0.09425%0.252CS..THydrogen-bonded Turntrans-114.6-10.4-177.663.1-90.8000113.4H330 I378 H382 F395 G398H330-Y401 HydrophobicContact CB-CE2 4.16Å; H330-Y401 PolarHBondContact CD2-OH 2.84Å; I378-Y401 HydrophobicContact CD1-CD2 4.33Å; I378-Y401 HydrophobicContact CG1-CG 4.39Å; I378-Y401 HydrophobicContact CG2-CD1 3.96Å; I378-Y401 HydrophobicContact CG2-CE1 4.31Å; I378-Y401 HydrophobicContact CG2-CG 4.3Å; H382-Y401 AromaticContact NE2-CD1 3.46Å; H382-Y401 WeakPolarHBondContact NE2-CD1 3.43Å; H382-Y401 AromaticContact NE2-CE1 3.8Å; F395-Y401 AromaticContact CD2-CE1 3.93Å; F395-Y401 HydrophobicContact CD2-CE1 3.93Å; F395-Y401 HydrophobicContact CE2-CE1 4.18Å; G398-Y401 PolarHBondContact O-N 3.23Å
402L82.8Confident79.4Confident8 Ų847 Ų474%0.04226%0.259CS..SBendtrans-122.3151.5172.6-64.8172.7000112N322 A326 L327 H330 G398 V407N322-L402 HydrophobicContact CB-CD2 4.2Å; A326-L402 HydrophobicContact CB-CD2 4.1Å; L327-L402 HydrophobicContact CD2-CD1 3.85Å; L327-L402 HydrophobicContact CD2-CD2 3.61Å; L327-L402 HydrophobicContact CD2-CG 4.3Å; L327-L402 HydrophobicContact CG-CD2 4.2Å; H330-L402 HydrophobicContact CB-CD1 3.5Å; G398-L402 WeakPolarHBondContact O-CB 3.47Å; G398-L402 PolarHBondContact O-N 3.17Å; L402-V407 HydrophobicContact CB-CG2 4.05Å
403N82.1Confident78.2Confident74 Ų7452.4 Ų52.440%0.39630%0.295SS..  trans-67.2136.3171.6-169.7-25.6000110.6N322 S405 F406N322-N403 PolarHBondContact OD1-N 3.5Å; N403-S405 PolarHBondContact O-N 3.36Å; N403-S405 PolarHBondContact OD1-N 2.91Å; N403-F406 HydrophobicContact CB-CD2 4.06Å; N403-F406 PolarHBondContact O-N 3.07Å
404K78.9Confident76.7Confident158 Ų15857.9 Ų57.969%0.68732%0.315SS*.THydrogen-bonded Turntrans-50.7-24.7-179-65-179.6-179.3176.90114.5T399 S410T399-K404 HydrophobicContact CG2-CG 4.25Å; K404-S410 WeakPolarHBondContact O-CB 3.26Å
405S79.1Confident75Confident44 Ų4465.9 Ų65.931%0.30835%0.349SS..THydrogen-bonded Turntrans-79.9-12.1177.263.60000115.3Q272 N403 S410Q272-S405 PolarHBondContact NE2-O 3.42Å; Q272-S405 PolarHBondContact OE1-O 2.68Å; N403-S405 PolarHBondContact O-N 3.36Å; N403-S405 PolarHBondContact OD1-N 2.91Å; S405-S410 PolarHBondContact O-OG 2.77Å
406F81.1Confident73Confident17 Ų1775.1 Ų75.18%0.07539%0.389CS..THydrogen-bonded Turntrans-106.6-15.5-177.3-72.1-103.7000113.8Q272 R273 I309 N322 L327 N403Q272-F406 HydrophobicContact CB-CD1 3.71Å; Q272-F406 HydrophobicContact CB-CE1 3.63Å; Q272-F406 HydrophobicContact CG-CD1 3.8Å; Q272-F406 HydrophobicContact CG-CE1 3.52Å; Q272-F406 HydrophobicContact CG-CZ 4.11Å; Q272-F406 VanDerWaalsContact OE1-CA 3.31Å; R273-F406 PolarHBondContact NH1-O 3.24Å; R273-F406 PolarHBondContact NH2-O 3.24Å; R273-F406 VanDerWaalsContact NH2-O 3.09Å; I309-F406 HydrophobicContact CG2-CZ 4.36Å; N322-F406 HydrophobicContact CB-CD1 4.36Å; N322-F406 HydrophobicContact CB-CG 4.46Å; N322-F406 WeakPolarHBondContact ND2-CD2 3.49Å; N322-F406 VanDerWaalsContact ND2-CE2 3.29Å; N322-F406 WeakPolarHBondContact ND2-CE2 3.19Å; L327-F406 HydrophobicContact CD1-CD1 4.27Å; L327-F406 HydrophobicContact CD2-CB 3.86Å; L327-F406 HydrophobicContact CD2-CD1 4.3Å; L327-F406 HydrophobicContact CD2-CG 4.5Å; N403-F406 HydrophobicContact CB-CD2 4.06Å; N403-F406 PolarHBondContact O-N 3.07Å
407V82.7Confident71Confident13 Ų1384.2 Ų84.28%0.07943%0.429CS..SBendtrans-68.9143.8173.2177.20000110.3K397 L402 G409 S410K397-V407 WeakPolarHBondContact O-CG1 3.46Å; L402-V407 HydrophobicContact CB-CG2 4.05Å; V407-G409 PolarHBondContact O-N 3.27Å; V407-S410 VanDerWaalsContact O-CB 3.27Å; V407-S410 WeakPolarHBondContact O-CB 3.39Å; V407-S410 PolarHBondContact O-N 2.94Å; V407-S410 PolarHBondContact O-OG 3.47Å
408L78.9Confident69Low31 Ų3187.9 Ų87.916%0.16245%0.445CS..G310 helixtrans-55.4-34.6-179.4-68.9173.5000113.2K235 Y269 D331 V334 S410 Y411K235-L408 HydrophobicContact CD-CD2 3.95Å; K235-L408 HydrophobicContact CG-CD2 4.05Å; Y269-L408 HydrophobicContact CE2-CD2 4.01Å; D331-L408 WeakPolarHBondContact OD1-CG 3.43Å; V334-L408 HydrophobicContact CB-CD1 4.03Å; V334-L408 HydrophobicContact CG1-CD1 3.91Å; V334-L408 HydrophobicContact CG2-CD1 4.27Å; L408-S410 PolarHBondContact O-N 3.48Å; L408-Y411 PolarHBondContact O-N 3.35Å; L408-Y411 VanDerWaalsContact O-N 3.08Å
409G70.6Confident67Low72 Ų7291 Ų9174%0.74248%0.477SS*.G310 helixtrans-59.8-13.3174.900000115.3V407 Y411V407-G409 PolarHBondContact O-N 3.27Å; G409-Y411 VanDerWaalsContact C-N 3.34Å
410S76.3Confident65.1Low33 Ų3397.4 Ų97.423%0.23151%0.505CS..G310 helixtrans-83-7.7176.878.60000114.8K268 K404 S405 V407 L408K268-S410 PolarHBondContact NZ-O 3.23Å; K268-S410 PolarHBondContact NZ-OG 3.05Å; K404-S410 WeakPolarHBondContact O-CB 3.26Å; S405-S410 PolarHBondContact O-OG 2.77Å; V407-S410 VanDerWaalsContact O-CB 3.27Å; V407-S410 WeakPolarHBondContact O-CB 3.39Å; V407-S410 PolarHBondContact O-N 2.94Å; V407-S410 PolarHBondContact O-OG 3.47Å; L408-S410 PolarHBondContact O-N 3.48Å
411Y75.8Confident63.1Low16 Ų1695.1 Ų95.16%0.06352%0.518CS..G310 helixtrans-99.5-0.2-177.7-66.8-90.5000113.4F231 K268 Y269 Q272 L408 G409F231-Y411 HydrophobicContact CE1-CD1 4.47Å; F231-Y411 HydrophobicContact CE1-CG 4.23Å; F231-Y411 AromaticContact CE2-CD1 3.97Å; F231-Y411 HydrophobicContact CE2-CD1 3.97Å; F231-Y411 HydrophobicContact CE2-CE1 4.4Å; F231-Y411 HydrophobicContact CE2-CG 4.26Å; F231-Y411 AromaticContact CZ-CD1 3.59Å; F231-Y411 HydrophobicContact CZ-CD1 3.59Å; F231-Y411 HydrophobicContact CZ-CD2 4.2Å; F231-Y411 HydrophobicContact CZ-CE1 4.37Å; F231-Y411 AromaticContact CZ-CG 3.47Å; F231-Y411 HydrophobicContact CZ-CG 3.47Å; F231-Y411 VanDerWaalsContact CZ-CG 3.47Å; K268-Y411 HydrophobicContact CB-CE1 4.13Å; K268-Y411 HydrophobicContact CD-CD1 4.11Å; K268-Y411 HydrophobicContact CD-CE1 3.62Å; K268-Y411 HydrophobicContact CG-CE1 3.76Å; Y269-Y411 WeakPolarHBondContact CA-OH 3.17Å; Y269-Y411 HydrophobicContact CD2-CE1 4.17Å; Y269-Y411 HydrophobicContact CD2-CE2 4.1Å; Y269-Y411 AromaticContact CD2-CZ 3.78Å; Q272-Y411 PolarHBondContact OE1-OH 2.86Å; L408-Y411 PolarHBondContact O-N 3.35Å; L408-Y411 VanDerWaalsContact O-N 3.08Å; G409-Y411 VanDerWaalsContact C-N 3.34Å
412G61.4Low61.2Low40 Ų40104 Ų10441%0.41256%0.557SS.*SBendtrans-80.7159.1173.800000113.1K414G412-K414 PolarHBondContact O-N 3.38Å
413P54.7Low59Low129 Ų129113.5 Ų113.584%0.83860%0.598SS**  trans-56.8116.8173.523-31.7000108.8K415P413-K415 PolarHBondContact O-N 2.92Å
414K51.8Low57Low193 Ų193113.4 Ų113.484%0.83961%0.614SS**  trans-53.9112.1174.2-69.5-176.8179.5-179.30107.1G412 K416G412-K414 PolarHBondContact O-N 3.38Å; K414-K416 VanDerWaalsContact C-N 3.28Å; K414-K416 PolarHBondContact O-N 3.16Å
415K45Very low55.3Low207 Ų207115.9 Ų115.990%0.963%0.625SS**  trans-55.198170.8-74.9-174.4179179.10106.7P413 K417P413-K415 PolarHBondContact O-N 2.92Å; K415-K417 PolarHBondContact O-N 3.38Å
416K43Very low53.4Low193 Ų193125.5 Ų125.584%0.83966%0.655SS**  trans-57.2116.6167.6-82.8-177.9175.9176.50104.5K414 K418K414-K416 VanDerWaalsContact C-N 3.28Å; K414-K416 PolarHBondContact O-N 3.16Å; K416-K418 PolarHBondContact O-N 3.21Å
417K41.4Very low51.5Low207 Ų207128.1 Ų128.190%0.969%0.687SS**  trans-48.9110.6162.1-86.5-176.6172.3-178.60105.4K415 G419K415-K417 PolarHBondContact O-N 3.38Å; K417-G419 VanDerWaalsContact C-N 3.27Å; K417-G419 PolarHBondContact O-N 3.05Å
418K39.2Very low49.5Very low204 Ų204137.4 Ų137.489%0.88773%0.726SS**  trans-64.394.6175.3-81.1-176.7176.4177.10106.5K416 M420K416-K418 PolarHBondContact O-N 3.21Å; K418-M420 PolarHBondContact O-N 3.26Å
419G39.8Very low47.9Very low67 Ų67144.6 Ų144.669%0.69176%0.756SS**  trans-58.7130.5152.700000106.8K417 G421K417-G419 VanDerWaalsContact C-N 3.27Å; K417-G419 PolarHBondContact O-N 3.05Å; G419-G421 VanDerWaalsContact C-N 3.35Å; G419-G421 PolarHBondContact O-N 3.24Å
420M41Very low46.8Very low199 Ų199147 Ų14798%0.9876%0.756SS**  trans-58.395.3179.4-72.4-173.976.400110.2K418K418-M420 PolarHBondContact O-N 3.26Å
421G38.2Very low45.1Very low69 Ų69152.1 Ų152.171%0.71178%0.78SS**  trans-77124.5166.200000109.3G419 K423G419-G421 VanDerWaalsContact C-N 3.35Å; G419-G421 PolarHBondContact O-N 3.24Å; G421-K423 PolarHBondContact O-N 3.48Å
422K41.8Very low43.6Very low209 Ų209156.5 Ų156.591%0.90981%0.811SS**  trans-45.9130.3173.9-78.3175.4172.5175.40111G424K422-G424 PolarHBondContact O-N 3.28Å; K422-G424 VanDerWaalsContact O-N 3.17Å
423K36.3Very low42.7Very low208 Ų208162 Ų16290%0.90483%0.829SS**  trans-56.9115.6172.5-79.3-179.7174.5176.20109.5G421G421-K423 PolarHBondContact O-N 3.48Å
424G39.4Very low42.3Very low72 Ų72161.3 Ų161.374%0.74283%0.825SS**PPolyproline II helixtrans-62.7132.216600000110.1K422 R426K422-G424 PolarHBondContact O-N 3.28Å; K422-G424 VanDerWaalsContact O-N 3.17Å; G424-R426 PolarHBondContact O-N 3.17Å
425K44.8Very low42.1Very low210 Ų210159.3 Ų159.391%0.91382%0.822SS**PPolyproline II helixtrans-60.2126.9174.2-72.7179.6176.3178.50108.9G427K425-G427 PolarHBondContact O-N 3.26Å
426R38.7Very low42.3Very low247 Ų247155.3 Ų155.393%0.93282%0.819SS**PPolyproline II helixtrans-65118.4168.4-71.2-176.6175.6-179.4-2.6108G424G424-R426 PolarHBondContact O-N 3.17Å
427G39.9Very low42.8Very low72 Ų72151.9 Ų151.974%0.74281%0.814SS**PPolyproline II helixtrans-61.5143.1167.200000109.9K425 F429K425-G427 PolarHBondContact O-N 3.26Å; G427-F429 PolarHBondContact O-N 3.23Å
428K42.3Very low43.5Very low208 Ų208147.4 Ų147.490%0.90480%0.798SS**PPolyproline II helixtrans-61.7123.9174.8-75.6179.8176179.80108.8V430K428-V430 PolarHBondContact O-N 3.43Å
429F43.9Very low44.6Very low182 Ų182140.2 Ų140.280%0.79877%0.773SS**PPolyproline II helixtrans-70.8121.7169.9-168.8-98.1000108.2G427 L431G427-F429 PolarHBondContact O-N 3.23Å; F429-L431 HydrophobicContact CE1-CG 4.42Å
430V49Very low45.4Very low123 Ų123143.2 Ų143.275%0.74577%0.769SS**PPolyproline II helixtrans-103.8121.5172.9178.60000106.5K428K428-V430 PolarHBondContact O-N 3.43Å
431L39.1Very low46.5Very low140 Ų140143.2 Ų143.273%0.73376%0.759SS**PPolyproline II helixtrans-64.9137.5172.9-91.9102.5000109.9F429 L433F429-L431 HydrophobicContact CE1-CG 4.42Å; L431-L433 PolarHBondContact O-N 2.91Å
432P44.8Very low47.6Very low108 Ų108143.9 Ų143.970%0.70175%0.749SS**SBendtrans-73.7123.3173.630-29.5000109.5
433L42.9Very low48.6Very low154 Ų154136.6 Ų136.681%0.80672%0.718SS**SBendtrans68.2130.8165.4-62.9157.4000117.4L431 I435L431-L433 PolarHBondContact O-N 2.91Å; L433-I435 PolarHBondContact O-N 3.46Å
434P46Very low50Low116 Ų116130.6 Ų130.675%0.75370%0.7SS**  trans-67.5124.9170.128.5-31000109.3C436P434-C436 PolarHBondContact O-N 3.12Å
435I48.8Very low51.3Low150 Ų150135.1 Ų135.177%0.76970%0.695SS**  trans-61.8120.4168.8-60.4168.4000106.7L433 V437L433-I435 PolarHBondContact O-N 3.46Å; I435-V437 VanDerWaalsContact C-N 3.32Å; I435-V437 PolarHBondContact O-N 3.22Å
436C48Very low52.5Low124 Ų124127.2 Ų127.284%0.83866%0.659SS**  trans-62.891.9173.5-65.30000109.4P434 I438P434-C436 PolarHBondContact O-N 3.12Å; C436-I438 PolarHBondContact O-N 3.11Å
437V53.6Low53.6Low120 Ų120124.3 Ų124.373%0.72766%0.656SS**  trans-79.9109.2171.8-1740000107.2I435 P439I435-V437 VanDerWaalsContact C-N 3.32Å; I435-V437 PolarHBondContact O-N 3.22Å; V437-P439 WeakPolarHBondContact O-CD 3.44Å
438I56.1Low54.6Low113 Ų113128.1 Ų128.158%0.57966%0.659SS**  trans-59.2122.1169.5-60.4170.5000106.9C436 V442 F443C436-I438 PolarHBondContact O-N 3.11Å; I438-V442 HydrophobicContact CG2-CB 3.98Å; I438-V442 HydrophobicContact CG2-CG1 4.21Å; I438-F443 HydrophobicContact CG2-CB 4.25Å
439P61.5Low55.7Low54 Ų54120.4 Ų120.435%0.35164%0.639SS.*  trans-58.5139.7-179.4-23.532.7000111.9V437 Y441 V442V437-P439 WeakPolarHBondContact O-CD 3.44Å; P439-Y441 HydrophobicContact CB-CD1 3.4Å; P439-Y441 HydrophobicContact CB-CE1 3.07Å; P439-Y441 HydrophobicContact CB-CG 4.29Å; P439-Y441 HydrophobicContact CG-CD1 4.47Å; P439-Y441 HydrophobicContact CG-CE1 3.71Å; P439-Y441 PolarHBondContact O-N 2.74Å; P439-V442 HydrophobicContact CB-CG2 4.23Å; P439-V442 HydrophobicContact CG-CG2 4.35Å; P439-V442 PolarHBondContact O-N 3.39Å
440E57.6Low56.9Low129 Ų129112.9 Ų112.960%0.60361%0.613SS**THydrogen-bonded Turntrans-57.7-24.4-176.1-71.1179.1169.300113.3F443 R697E440-F443 CarbonylContact O-C 3.48Å; E440-F443 PolarHBondContact O-N 3.49Å; E440-R697 IonicContact OE1-NH2 2.71Å; E440-R697 PolarHBondContact OE1-NH2 3.49Å
441Y63.8Low58.1Low200 Ų200108 Ų10878%0.78458%0.583SS**THydrogen-bonded Turntrans-72.4-24.9175.771.2-97.8000113.8P439P439-Y441 HydrophobicContact CB-CD1 3.4Å; P439-Y441 HydrophobicContact CB-CE1 3.07Å; P439-Y441 HydrophobicContact CB-CG 4.29Å; P439-Y441 HydrophobicContact CG-CD1 4.47Å; P439-Y441 HydrophobicContact CG-CE1 3.71Å; P439-Y441 PolarHBondContact O-N 2.74Å
442V61.3Low59.9Low83 Ų83101.5 Ų101.550%0.50355%0.55SS.*THydrogen-bonded Turntrans-81.3-26.9178.4-175.30000110.5I438 P439I438-V442 HydrophobicContact CG2-CB 3.98Å; I438-V442 HydrophobicContact CG2-CG1 4.21Å; P439-V442 HydrophobicContact CB-CG2 4.23Å; P439-V442 HydrophobicContact CG-CG2 4.35Å; P439-V442 PolarHBondContact O-N 3.39Å
443F62.5Low61.3Low56 Ų56101.2 Ų101.225%0.24654%0.536CS..SBendtrans-143.485.2-176.2-151.6-101.9000111.6I438 E440 R445 P451 P452 Y454 M455I438-F443 HydrophobicContact CG2-CB 4.25Å; E440-F443 CarbonylContact O-C 3.48Å; E440-F443 PolarHBondContact O-N 3.49Å; F443-R445 PolarHBondContact O-N 3.1Å; F443-R445 VanDerWaalsContact O-N 3.12Å; F443-P451 HydrophobicContact CE1-CB 4.19Å; F443-P452 HydrophobicContact CD1-CG 3.9Å; F443-P452 HydrophobicContact CD2-CG 4.39Å; F443-P452 HydrophobicContact CE1-CG 3.64Å; F443-P452 HydrophobicContact CE2-CG 4.12Å; F443-P452 HydrophobicContact CG-CG 4.29Å; F443-P452 VanDerWaalsContact CZ-CD 3.5Å; F443-P452 HydrophobicContact CZ-CG 3.75Å; F443-Y454 WeakPolarHBondContact CE2-OH 3.47Å; F443-M455 HydrophobicContact CE1-SD 4.49Å; F443-M455 HydrophobicContact CE2-CE 3.96Å; F443-M455 HydrophobicContact CZ-CE 3.61Å; F443-M455 HydrophobicContact CZ-SD 3.66Å
444P65.3Low62.9Low82 Ų8295 Ų9553%0.53250%0.501SS..  trans-66.2112.4-175.224.1-32.2000111.2P452P444-P452 WeakPolarHBondContact O-CG 3.18Å
445R66.6Low64.6Low166 Ų16691.7 Ų91.763%0.62648%0.477SS*.  trans-79.8153.2178-66.9179.2-179.9-101.8-0.8111.2F443 G450F443-R445 PolarHBondContact O-N 3.1Å; F443-R445 VanDerWaalsContact O-N 3.12Å; R445-G450 WeakPolarHBondContact CA-O 3.46Å; R445-G450 WeakPolarHBondContact CB-O 3.42Å
446R70.3Confident66Low45 Ų4584.7 Ų84.717%0.1744%0.441CS..  trans-64.5160.1171.7-65.8176.2-161.5-154.23.5110.4D448 G449 G450 P451 P452 Y453 M455R446-D448 PolarHBondContact O-N 2.87Å; R446-D448 VanDerWaalsContact O-N 3.16Å; R446-G449 PolarHBondContact O-N 3.1Å; R446-G450 PolarHBondContact N-O 3.46Å; R446-P451 WeakPolarHBondContact CD-O 3.43Å; R446-P451 VanDerWaalsContact CG-O 3.24Å; R446-P451 WeakPolarHBondContact CG-O 3.37Å; R446-P451 PolarHBondContact NE-O 2.73Å; R446-P452 PolarHBondContact NH2-O 3.39Å; R446-Y453 HydrophobicContact CG-CD1 4.32Å; R446-Y453 HydrophobicContact CG-CD2 4.49Å; R446-Y453 HydrophobicContact CG-CE1 4.1Å; R446-Y453 HydrophobicContact CG-CE2 4.29Å; R446-M455 PolarHBondContact NH2-O 3.36Å
447Q63.6Low67.4Low185 Ų18582.1 Ų82.186%0.86442%0.416SS*.THydrogen-bonded Turntrans-58.8-26.6174.2-65.3-177.36.800112.4G449Q447-G449 VanDerWaalsContact C-N 3.28Å; Q447-G449 PolarHBondContact O-N 2.89Å
448D60.9Low68.2Low152 Ų15276.9 Ų76.981%0.81339%0.385SS*.THydrogen-bonded Turntrans-82.14.3175-57.1-49000114.3R446 G450R446-D448 PolarHBondContact O-N 2.87Å; R446-D448 VanDerWaalsContact O-N 3.16Å; D448-G450 VanDerWaalsContact C-N 3.29Å; D448-G450 PolarHBondContact O-N 3.24Å
449G64.9Low68.7Low46 Ų4675.1 Ų75.147%0.47437%0.371SS..SBendtrans82.2-1.9-17900000115.4R446 Q447R446-G449 PolarHBondContact O-N 3.1Å; Q447-G449 VanDerWaalsContact C-N 3.28Å; Q447-G449 PolarHBondContact O-N 2.89Å
450G68.2Low68.5Low24 Ų2481.6 Ų81.625%0.24739%0.389CS..PPolyproline II helixtrans-74.3168.2176.200000114.4R445 R446 D448R445-G450 WeakPolarHBondContact CA-O 3.46Å; R445-G450 WeakPolarHBondContact CB-O 3.42Å; R446-G450 PolarHBondContact N-O 3.46Å; D448-G450 VanDerWaalsContact C-N 3.29Å; D448-G450 PolarHBondContact O-N 3.24Å
451P75.4Confident68.3Low20 Ų2080.2 Ų80.213%0.1339%0.386CS..PPolyproline II helixtrans-64.5162.7176.427.6-32.3000111.9F443 R446 M455 F493F443-P451 HydrophobicContact CE1-CB 4.19Å; R446-P451 WeakPolarHBondContact CD-O 3.43Å; R446-P451 VanDerWaalsContact CG-O 3.24Å; R446-P451 WeakPolarHBondContact CG-O 3.37Å; R446-P451 PolarHBondContact NE-O 2.73Å; P451-M455 HydrophobicContact CB-CB 4.13Å; P451-M455 HydrophobicContact CB-SD 4.2Å; P451-M455 HydrophobicContact CG-CB 4.35Å; P451-F493 HydrophobicContact CG-CB 4.11Å; P451-F493 HydrophobicContact CG-CD1 3.25Å; P451-F493 HydrophobicContact CG-CD2 3.86Å; P451-F493 HydrophobicContact CG-CE1 3.44Å; P451-F493 VanDerWaalsContact CG-CE1 3.44Å; P451-F493 HydrophobicContact CG-CE2 4.04Å; P451-F493 HydrophobicContact CG-CG 3.46Å; P451-F493 VanDerWaalsContact CG-CG 3.46Å; P451-F493 HydrophobicContact CG-CZ 3.84Å
452P76.1Confident67.6Low5 Ų577.2 Ų77.23%0.03239%0.388CS..PPolyproline II helixtrans-47.3155.6-179.3-2324.9000114.3F443 P444 R446 Y454 M455F443-P452 HydrophobicContact CD1-CG 3.9Å; F443-P452 HydrophobicContact CD2-CG 4.39Å; F443-P452 HydrophobicContact CE1-CG 3.64Å; F443-P452 HydrophobicContact CE2-CG 4.12Å; F443-P452 HydrophobicContact CG-CG 4.29Å; F443-P452 VanDerWaalsContact CZ-CD 3.5Å; F443-P452 HydrophobicContact CZ-CG 3.75Å; P444-P452 WeakPolarHBondContact O-CG 3.18Å; R446-P452 PolarHBondContact NH2-O 3.39Å; P452-Y454 HydrophobicContact CB-CD1 3.6Å; P452-Y454 HydrophobicContact CB-CE1 3.26Å; P452-Y454 HydrophobicContact CB-CE2 4.32Å; P452-Y454 HydrophobicContact CB-CG 4.28Å; P452-Y454 HydrophobicContact CG-CE1 3.76Å; P452-Y454 HydrophobicContact CG-CE2 4.47Å; P452-Y454 PolarHBondContact O-N 3.26Å; P452-Y454 VanDerWaalsContact O-N 3.12Å; P452-M455 PolarHBondContact O-N 2.93Å
453Y74.1Confident67Low102 Ų10275.4 Ų75.440%0.438%0.377SS..THydrogen-bonded Turntrans-59.1-25.8-177.3-72.7-72.3000114.6R446 M455 M520R446-Y453 HydrophobicContact CG-CD1 4.32Å; R446-Y453 HydrophobicContact CG-CD2 4.49Å; R446-Y453 HydrophobicContact CG-CE1 4.1Å; R446-Y453 HydrophobicContact CG-CE2 4.29Å; Y453-M455 VanDerWaalsContact C-N 3.26Å; Y453-M455 PolarHBondContact O-N 3.01Å; Y453-M520 VanDerWaalsContact CB-CE 3.46Å; Y453-M520 HydrophobicContact CG-CE 4.45Å
454Y76Confident66.3Low22 Ų2277.6 Ų77.69%0.08639%0.391CS..THydrogen-bonded Turntrans-75.6-11.4175.962.9-102.2000113.8F443 P452 N495 I496F443-Y454 WeakPolarHBondContact CE2-OH 3.47Å; P452-Y454 HydrophobicContact CB-CD1 3.6Å; P452-Y454 HydrophobicContact CB-CE1 3.26Å; P452-Y454 HydrophobicContact CB-CE2 4.32Å; P452-Y454 HydrophobicContact CB-CG 4.28Å; P452-Y454 HydrophobicContact CG-CE1 3.76Å; P452-Y454 HydrophobicContact CG-CE2 4.47Å; P452-Y454 PolarHBondContact O-N 3.26Å; P452-Y454 VanDerWaalsContact O-N 3.12Å; Y454-N495 WeakPolarHBondContact O-CA 3.36Å; Y454-I496 PolarHBondContact O-N 3.01Å
455M81.3Confident65.5Low48 Ų4880.5 Ų80.524%0.23640%0.402CS..EExtended strand (participates in β ladder)trans-99.4118.8171.5-75.4-162.7176.900110.2F443 R446 P451 P452 Y453 F493 S494F443-M455 HydrophobicContact CE1-SD 4.49Å; F443-M455 HydrophobicContact CE2-CE 3.96Å; F443-M455 HydrophobicContact CZ-CE 3.61Å; F443-M455 HydrophobicContact CZ-SD 3.66Å; R446-M455 PolarHBondContact NH2-O 3.36Å; P451-M455 HydrophobicContact CB-CB 4.13Å; P451-M455 HydrophobicContact CB-SD 4.2Å; P451-M455 HydrophobicContact CG-CB 4.35Å; P452-M455 PolarHBondContact O-N 2.93Å; Y453-M455 VanDerWaalsContact C-N 3.26Å; Y453-M455 PolarHBondContact O-N 3.01Å; M455-F493 HydrophobicContact CB-CB 4.25Å; M455-F493 HydrophobicContact SD-CB 4.35Å; M455-S494 WeakPolarHBondContact CA-O 3.06Å
456I79.4Confident64.7Low2 Ų275.8 Ų75.81%0.0140%0.395CS..EExtended strand (participates in β ladder)trans-113.7151.9-177.567.3169.9000111T458 F493 S494 I496 I499 L508 A511 I516I456-T458 PolarHBondContact O-N 3.36Å; I456-F493 WeakPolarHBondContact O-CA 3.41Å; I456-S494 PolarHBondContact N-O 2.89Å; I456-S494 PolarHBondContact O-N 3.33Å; I456-I496 HydrophobicContact CD1-CB 4.34Å; I456-I496 HydrophobicContact CD1-CD1 4.47Å; I456-I496 HydrophobicContact CD1-CG1 3.98Å; I456-I496 HydrophobicContact CG1-CB 4.46Å; I456-I496 HydrophobicContact CG2-CB 4.27Å; I456-I496 HydrophobicContact CG2-CD1 4.26Å; I456-I496 HydrophobicContact CG2-CG1 4.45Å; I456-I499 HydrophobicContact CD1-CD1 3.37Å; I456-I499 HydrophobicContact CD1-CG2 4.38Å; I456-I499 HydrophobicContact CG1-CD1 3.09Å; I456-L508 HydrophobicContact CD1-CD2 3.96Å; I456-A511 HydrophobicContact CB-CB 4.05Å; I456-A511 HydrophobicContact CD1-CB 3.82Å; I456-A511 HydrophobicContact CG2-CB 3.92Å; I456-I516 HydrophobicContact CB-CD1 4.39Å; I456-I516 HydrophobicContact CG2-CD1 3.55Å
457E77.6Confident63.8Low70 Ų7081.1 Ų81.133%0.32742%0.415SS..EExtended strand (participates in β ladder)trans-65.7127.7178.7-67.2-171.5168.700109.9F493E457-F493 HydrophobicContact CB-CE1 4.44Å; E457-F493 HydrophobicContact CG-CD1 4.05Å; E457-F493 HydrophobicContact CG-CE1 3.34Å; E457-F493 HydrophobicContact CG-CZ 3.73Å
458T70.1Confident63.4Low11 Ų1175.4 Ų75.47%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-129.5151.8176.8530000110.5I456 V492 S494 I499I456-T458 PolarHBondContact O-N 3.36Å; T458-V492 WeakPolarHBondContact CA-O 3.3Å; T458-V492 PolarHBondContact N-O 2.88Å; T458-V492 PolarHBondContact O-N 3.33Å; T458-V492 VanDerWaalsContact O-O 3.14Å; T458-V492 PolarHBondContact OG1-O 2.99Å; T458-S494 PolarHBondContact OG1-OG 3.25Å; T458-I499 HydrophobicContact CG2-CD1 3.16Å; T458-I499 HydrophobicContact CG2-CG1 3.67Å
459Y66.9Low63.1Low75 Ų7571.9 Ų71.929%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-107.2113.7172.3-58.8-68.9000107.6N461 S489 K510Y459-N461 PolarHBondContact O-N 3.15Å; Y459-S489 WeakPolarHBondContact CD1-OG 3.49Å; Y459-K510 PolarHBondContact OH-NZ 3.36Å
460R56.9Low62.3Low191 Ų19179 Ų7972%0.72138%0.381SS*.  trans-80.8109.8173.3-170.6175.4-175.5178.90.3107.5V462R460-V462 PolarHBondContact O-N 3.24Å
461N53Low61.5Low100 Ų10083.1 Ų83.154%0.53540%0.398SS..  trans-64.3118163.4-69.1-16.2000106.7Y459 T463Y459-N461 PolarHBondContact O-N 3.15Å; N461-T463 PolarHBondContact O-N 3.06Å
462V48.8Very low60.5Low136 Ų13689.1 Ų89.182%0.82442%0.423SS*.  trans-73.9-0.5-177.7-176.90000111.3R460 D464R460-V462 PolarHBondContact O-N 3.24Å; V462-D464 PolarHBondContact O-N 2.98Å
463T50Low59.6Low45 Ų4593.1 Ų93.128%0.27645%0.45SS..  trans-68.1119.3-178.261.40000110.2N461 N465 S482N461-T463 PolarHBondContact O-N 3.06Å; T463-N465 PolarHBondContact O-N 3.38Å; T463-N465 PolarHBondContact O-OD1 3.32Å; T463-S482 VanDerWaalsContact CG2-CB 3.48Å; T463-S482 VanDerWaalsContact CG2-OG 3.24Å; T463-S482 WeakPolarHBondContact CG2-OG 3.39Å
464D46.5Very low58.7Low103 Ų10391 Ų9155%0.55145%0.448SS*.  trans-69.699172.4-175-2.8000109.1V462 S466 R467V462-D464 PolarHBondContact O-N 2.98Å; D464-S466 PolarHBondContact O-N 2.92Å; D464-S466 WeakPolarHBondContact OD1-CB 3.45Å; D464-S466 PolarHBondContact OD1-N 3.42Å; D464-S466 PolarHBondContact OD1-OG 3.28Å; D464-S466 PolarHBondContact OD2-OG 3.19Å; D464-R467 HydrophobicContact CB-CB 4.36Å; D464-R467 VanDerWaalsContact O-CB 3.29Å; D464-R467 WeakPolarHBondContact O-CB 3.22Å; D464-R467 PolarHBondContact O-N 3.38Å; D464-R467 VanDerWaalsContact O-N 3.07Å
465N48.4Very low57.9Low142 Ų14298.3 Ų98.376%0.75948%0.483SS*.THydrogen-bonded Turntrans-64.1-5.6179.3-66.7-10000113.3T463T463-N465 PolarHBondContact O-N 3.38Å; T463-N465 PolarHBondContact O-OD1 3.32Å
466S50.9Low56.6Low67 Ų67100.8 Ų100.847%0.46949%0.494SS..THydrogen-bonded Turntrans-96.2-4.2175.4740000114D464 F468D464-S466 PolarHBondContact O-N 2.92Å; D464-S466 WeakPolarHBondContact OD1-CB 3.45Å; D464-S466 PolarHBondContact OD1-N 3.42Å; D464-S466 PolarHBondContact OD1-OG 3.28Å; D464-S466 PolarHBondContact OD2-OG 3.19Å; S466-F468 VanDerWaalsContact C-N 3.28Å; S466-F468 PolarHBondContact O-N 3.01Å
467R51.8Low55.1Low157 Ų157106.6 Ų106.659%0.59253%0.532SS*.SBendtrans-66.1-27.3-176.6-172.4173.3179.9-171.8-3.8113.7D464D464-R467 HydrophobicContact CB-CB 4.36Å; D464-R467 VanDerWaalsContact O-CB 3.29Å; D464-R467 WeakPolarHBondContact O-CB 3.22Å; D464-R467 PolarHBondContact O-N 3.38Å; D464-R467 VanDerWaalsContact O-N 3.07Å
468F53.6Low53.9Low65 Ų65109.1 Ų109.129%0.28555%0.546SS..SBendtrans-131.6118.2177.6-60.7-62.9000110.2S466 H472 P474 Q479S466-F468 VanDerWaalsContact C-N 3.28Å; S466-F468 PolarHBondContact O-N 3.01Å; F468-H472 WeakPolarHBondContact CA-O 3.36Å; F468-P474 HydrophobicContact CD1-CB 3.89Å; F468-P474 HydrophobicContact CD1-CG 4.42Å; F468-P474 HydrophobicContact CE1-CB 3.86Å; F468-P474 HydrophobicContact CE2-CB 4.48Å; F468-P474 HydrophobicContact CG-CB 4.24Å; F468-P474 HydrophobicContact CG-CG 4.38Å; F468-P474 HydrophobicContact CZ-CB 4.16Å; F468-Q479 WeakPolarHBondContact CE2-O 3.28Å; F468-Q479 VanDerWaalsContact CZ-O 3.29Å; F468-Q479 WeakPolarHBondContact CZ-O 3.19Å
469N54.7Low52.9Low79 Ų79111.9 Ų111.942%0.42256%0.559SS.*BIsolated β-bridgetrans-124.7171.9-176.4-78.8-20.4000110.9D471 H472N469-D471 PolarHBondContact O-N 3.04Å; N469-D471 VanDerWaalsContact O-N 3.07Å; N469-H472 PolarHBondContact N-O 3.12Å; N469-H472 CarbonylContact O-C 3.58Å; N469-H472 WeakPolarHBondContact O-CA 3.45Å; N469-H472 PolarHBondContact O-N 3.43Å; N469-H472 VanDerWaalsContact O-O 3.1Å
470R49Very low52.2Low194 Ų194113.1 Ų113.173%0.73257%0.57SS**THydrogen-bonded Turntrans-49.7-37176.3-175.6-169.368.4-164.7-4.8112.6
471D50.9Low51.7Low112 Ų112106.6 Ų106.660%0.59955%0.55SS*.THydrogen-bonded Turntrans-89.2-7.5-176.1-52.5-25.5000112.1N469N469-D471 PolarHBondContact O-N 3.04Å; N469-D471 VanDerWaalsContact O-N 3.07Å
472H54.8Low51.4Low145 Ų145104 Ų10467%0.67154%0.539SS*.BIsolated β-bridgetrans-141.873173.7-72.380.1000110.8F468 N469F468-H472 WeakPolarHBondContact CA-O 3.36Å; N469-H472 PolarHBondContact N-O 3.12Å; N469-H472 CarbonylContact O-C 3.58Å; N469-H472 WeakPolarHBondContact O-CA 3.45Å; N469-H472 PolarHBondContact O-N 3.43Å; N469-H472 VanDerWaalsContact O-O 3.1Å
473P57Low51.5Low90 Ų90101.3 Ų101.358%0.58453%0.531SS*.  trans-69.8148.8174.929.2-33.2000110.6E475P473-E475 PolarHBondContact O-N 3.05Å
474P55.3Low51.3Low57 Ų57109.4 Ų109.437%0.3756%0.557SS.*  trans-63.3131.2174.126-30.3000109.1F468 H476 Q479F468-P474 HydrophobicContact CD1-CB 3.89Å; F468-P474 HydrophobicContact CD1-CG 4.42Å; F468-P474 HydrophobicContact CE1-CB 3.86Å; F468-P474 HydrophobicContact CE2-CB 4.48Å; F468-P474 HydrophobicContact CG-CB 4.24Å; F468-P474 HydrophobicContact CG-CG 4.38Å; F468-P474 HydrophobicContact CZ-CB 4.16Å; P474-H476 PolarHBondContact O-N 3Å; P474-Q479 HydrophobicContact CB-CB 4.29Å
475E59.7Low51.2Low176 Ų176112.4 Ų112.482%0.82256%0.562SS**SBendtrans-67.1-21.4-177-62178152.900111.9P473P473-E475 PolarHBondContact O-N 3.05Å
476H53.1Low51.1Low100 Ų100112.4 Ų112.446%0.46356%0.56SS.*SBendtrans-140.4142.9178.6-162.5-82.9000112P474 I478 Q479P474-H476 PolarHBondContact O-N 3Å; H476-I478 WeakPolarHBondContact ND1-CB 3.19Å; H476-I478 PolarHBondContact ND1-N 3.28Å; H476-I478 PolarHBondContact O-N 3.06Å; H476-Q479 HydrophobicContact CB-CG 4.22Å; H476-Q479 WeakPolarHBondContact O-CB 3.31Å; H476-Q479 PolarHBondContact O-N 3.18Å
477P49.1Very low50.9Low124 Ų124116.5 Ų116.581%0.80558%0.577SS**THydrogen-bonded Turntrans-58.9-4.6176.9-24.332.5000116.5
478I51.5Low50.8Low122 Ų122116.8 Ų116.863%0.62659%0.59SS**THydrogen-bonded Turntrans-108.4-11.5-178.5-63.1175.4000111.2H476 D480H476-I478 WeakPolarHBondContact ND1-CB 3.19Å; H476-I478 PolarHBondContact ND1-N 3.28Å; H476-I478 PolarHBondContact O-N 3.06Å; I478-D480 PolarHBondContact O-N 2.84Å; I478-D480 VanDerWaalsContact O-N 3.16Å
479Q49.8Very low50.7Low70 Ų70115.9 Ų115.933%0.32759%0.592SS.*  trans-72.93.5175.8-82.8176.5-16.300113.7F468 P474 H476 D481F468-Q479 WeakPolarHBondContact CE2-O 3.28Å; F468-Q479 VanDerWaalsContact CZ-O 3.29Å; F468-Q479 WeakPolarHBondContact CZ-O 3.19Å; P474-Q479 HydrophobicContact CB-CB 4.29Å; H476-Q479 HydrophobicContact CB-CG 4.22Å; H476-Q479 WeakPolarHBondContact O-CB 3.31Å; H476-Q479 PolarHBondContact O-N 3.18Å; Q479-D481 VanDerWaalsContact C-N 3.28Å; Q479-D481 WeakPolarHBondContact CA-OD1 3.29Å; Q479-D481 PolarHBondContact O-N 3.44Å
480D50.6Low50.8Low100 Ų100119.9 Ų119.954%0.53561%0.608SS.*  trans-95.559.6162.8-1613.8000110.2I478 S482I478-D480 PolarHBondContact O-N 2.84Å; I478-D480 VanDerWaalsContact O-N 3.16Å; D480-S482 PolarHBondContact O-N 3.27Å; D480-S482 WeakPolarHBondContact OD1-CB 3.36Å; D480-S482 PolarHBondContact OD1-OG 2.87Å
481D47.4Very low51.7Low55 Ų55116 Ų11629%0.29460%0.596SS.*G310 helixtrans-82.114.7176.741.1-42.8000112.3Q479 A483 W484 Y485Q479-D481 VanDerWaalsContact C-N 3.28Å; Q479-D481 WeakPolarHBondContact CA-OD1 3.29Å; Q479-D481 PolarHBondContact O-N 3.44Å; D481-A483 PolarHBondContact O-N 3.07Å; D481-W484 PolarHBondContact O-N 2.96Å; D481-Y485 HydrophobicContact CB-CE2 4.11Å; D481-Y485 VanDerWaalsContact O-CD2 3.32Å; D481-Y485 WeakPolarHBondContact O-CD2 3.14Å
482S47.2Very low52.7Low44 Ų44113.1 Ų113.131%0.30858%0.583SS.*G310 helixtrans-65.8-19.3176.972.90000113.2T463 D480T463-S482 VanDerWaalsContact CG2-CB 3.48Å; T463-S482 VanDerWaalsContact CG2-OG 3.24Å; T463-S482 WeakPolarHBondContact CG2-OG 3.39Å; D480-S482 PolarHBondContact O-N 3.27Å; D480-S482 WeakPolarHBondContact OD1-CB 3.36Å; D480-S482 PolarHBondContact OD1-OG 2.87Å
483A49.5Very low53.9Low80 Ų80109.8 Ų109.866%0.66157%0.566SS**G310 helixtrans-82.9-9.1176.100000114.8D481D481-A483 PolarHBondContact O-N 3.07Å
484W46.8Very low55Low215 Ų215107.2 Ų107.281%0.81455%0.551SS**THydrogen-bonded Turntrans-109.1-13.6-164.6-93.117000116.1D481 I486D481-W484 PolarHBondContact O-N 2.96Å; W484-I486 PolarHBondContact O-N 3.17Å
485Y43.1Very low56.4Low167 Ų167105.7 Ų105.766%0.65554%0.54SS*.SBendtrans-96.691.2-179-61.2-76.2000111.8D481D481-Y485 HydrophobicContact CB-CE2 4.11Å; D481-Y485 VanDerWaalsContact O-CD2 3.32Å; D481-Y485 WeakPolarHBondContact O-CD2 3.14Å
486I48.1Very low57.5Low141 Ų14197.3 Ų97.372%0.72350%0.5SS*.  45.881.2126.7-50.7161.9000114.7W484W484-I486 PolarHBondContact O-N 3.17Å
487D46.1Very low59Low154 Ų15493 Ų9382%0.82448%0.481SS*.  -175148129.1-89.8-25.6000108.7S489D487-S489 PolarHBondContact O-N 2.94Å
488D48.7Very low60.5Low162 Ų16292.4 Ų92.487%0.86647%0.47SS*.  trans-56.3114168.1-85.5-24000107.2E490D488-E490 PolarHBondContact O-N 2.87Å
489S53.2Low62Low47 Ų4787 Ų8733%0.32944%0.442SS..  trans-49.2117-179.954.70000109.1Y459 D487 K491Y459-S489 WeakPolarHBondContact CD1-OG 3.49Å; D487-S489 PolarHBondContact O-N 2.94Å; S489-K491 PolarHBondContact O-N 3.37Å
490E56.5Low63.5Low162 Ų16283.7 Ų83.776%0.75743%0.426SS*.  trans-54.9142.1-175.8-71-171.4161.400110.1D488 V492D488-E490 PolarHBondContact O-N 2.87Å; E490-V492 PolarHBondContact O-N 3.08Å
491K66.9Low64.9Low112 Ų11286.1 Ų86.149%0.48743%0.432SS..EExtended strand (participates in β ladder)trans-69.4100.7174.6-65.1-175-176.6-173.70108.8S489S489-K491 PolarHBondContact O-N 3.37Å
492V72.3Confident66.2Low52 Ų5287.5 Ų87.532%0.31545%0.451SS..EExtended strand (participates in β ladder)trans-97.8131.5173.9-177.30000108.5T458 E490T458-V492 WeakPolarHBondContact CA-O 3.3Å; T458-V492 PolarHBondContact N-O 2.88Å; T458-V492 PolarHBondContact O-N 3.33Å; T458-V492 VanDerWaalsContact O-O 3.14Å; T458-V492 PolarHBondContact OG1-O 2.99Å; E490-V492 PolarHBondContact O-N 3.08Å
493F80.3Confident67.4Low75 Ų7586.3 Ų86.333%0.32945%0.446SS..EExtended strand (participates in β ladder)trans-93.7115173.3-72.4-85000109.7P451 M455 I456 E457P451-F493 HydrophobicContact CG-CB 4.11Å; P451-F493 HydrophobicContact CG-CD1 3.25Å; P451-F493 HydrophobicContact CG-CD2 3.86Å; P451-F493 HydrophobicContact CG-CE1 3.44Å; P451-F493 VanDerWaalsContact CG-CE1 3.44Å; P451-F493 HydrophobicContact CG-CE2 4.04Å; P451-F493 HydrophobicContact CG-CG 3.46Å; P451-F493 VanDerWaalsContact CG-CG 3.46Å; P451-F493 HydrophobicContact CG-CZ 3.84Å; M455-F493 HydrophobicContact CB-CB 4.25Å; M455-F493 HydrophobicContact SD-CB 4.35Å; I456-F493 WeakPolarHBondContact O-CA 3.41Å; E457-F493 HydrophobicContact CB-CE1 4.44Å; E457-F493 HydrophobicContact CG-CD1 4.05Å; E457-F493 HydrophobicContact CG-CE1 3.34Å; E457-F493 HydrophobicContact CG-CZ 3.73Å
494S80.3Confident68.8Low36 Ų3685.1 Ų85.125%0.25243%0.428SS..EExtended strand (participates in β ladder)trans-116.2153.2178.8-60.10000110.1M455 I456 T458 I496M455-S494 WeakPolarHBondContact CA-O 3.06Å; I456-S494 PolarHBondContact N-O 2.89Å; I456-S494 PolarHBondContact O-N 3.33Å; T458-S494 PolarHBondContact OG1-OG 3.25Å; S494-I496 PolarHBondContact O-N 3Å
495N83.6Confident70.3Confident26 Ų2677.2 Ų77.214%0.13940%0.401CS..EExtended strand (participates in β ladder)trans-65.8131.6178.3-176-33.2000110.5Y454 N497 I498 I499 D522Y454-N495 WeakPolarHBondContact O-CA 3.36Å; N495-N497 PolarHBondContact O-N 2.97Å; N495-N497 VanDerWaalsContact O-N 3.12Å; N495-N497 PolarHBondContact OD1-N 3.27Å; N495-I498 HydrophobicContact CB-CB 4.44Å; N495-I498 HydrophobicContact CB-CD1 3.92Å; N495-I498 HydrophobicContact CB-CG1 4.03Å; N495-I498 WeakPolarHBondContact O-CB 3.5Å; N495-I498 PolarHBondContact O-N 3.02Å; N495-I499 WeakPolarHBondContact O-CG1 2.98Å; N495-I499 PolarHBondContact O-N 3.32Å; N495-D522 PolarHBondContact ND2-OD1 3.2Å; N495-D522 PolarHBondContact ND2-OD2 3.38Å
496I83.9Confident72Confident0 Ų071.2 Ų71.20%039%0.386CS..Hα-helixtrans-52.9-34.1-179.4-166.1165.6000113Y454 I456 S494 I499 T500 L508 F512 P528Y454-I496 PolarHBondContact O-N 3.01Å; I456-I496 HydrophobicContact CD1-CB 4.34Å; I456-I496 HydrophobicContact CD1-CD1 4.47Å; I456-I496 HydrophobicContact CD1-CG1 3.98Å; I456-I496 HydrophobicContact CG1-CB 4.46Å; I456-I496 HydrophobicContact CG2-CB 4.27Å; I456-I496 HydrophobicContact CG2-CD1 4.26Å; I456-I496 HydrophobicContact CG2-CG1 4.45Å; S494-I496 PolarHBondContact O-N 3Å; I496-I499 PolarHBondContact O-N 3.22Å; I496-T500 WeakPolarHBondContact O-CB 3.41Å; I496-T500 PolarHBondContact O-N 3.04Å; I496-T500 PolarHBondContact O-OG1 3.39Å; I496-L508 HydrophobicContact CD1-CD2 4.04Å; I496-L508 HydrophobicContact CG1-CD2 3.57Å; I496-F512 HydrophobicContact CD1-CE1 4.06Å; I496-F512 HydrophobicContact CD1-CZ 4.34Å; I496-P528 HydrophobicContact CD1-CG 3.82Å; I496-P528 HydrophobicContact CG1-CG 3.94Å; I496-P528 HydrophobicContact CG2-CG 4.12Å
497N84.1Confident73.6Confident10 Ų1065 Ų655%0.05336%0.355CS..Hα-helixtrans-71.5-37.5178.9-72.1-25000112.1N495 I499 T500 K501 D522 K526 T527 P528 T531N495-N497 PolarHBondContact O-N 2.97Å; N495-N497 VanDerWaalsContact O-N 3.12Å; N495-N497 PolarHBondContact OD1-N 3.27Å; N497-I499 VanDerWaalsContact C-N 3.31Å; N497-I499 PolarHBondContact O-N 3.17Å; N497-T500 PolarHBondContact O-N 3.31Å; N497-K501 WeakPolarHBondContact O-CB 3.29Å; N497-K501 PolarHBondContact O-N 2.77Å; N497-D522 WeakPolarHBondContact ND2-CB 3.33Å; N497-K526 PolarHBondContact ND2-O 3.34Å; N497-T527 PolarHBondContact OD1-O 3.43Å; N497-P528 WeakPolarHBondContact OD1-CA 3.39Å; N497-T531 HydrophobicContact CB-CG2 4.26Å; N497-T531 VanDerWaalsContact O-CG2 3.29Å; N497-T531 WeakPolarHBondContact O-CG2 3.5Å; N497-T531 PolarHBondContact OD1-OG1 3.11Å
498I81.6Confident75.3Confident111 Ų11157.6 Ų57.657%0.56932%0.316SS*.Hα-helixtrans-65-40.8176.2-63.7176.6000110N495 K501 A502N495-I498 HydrophobicContact CB-CB 4.44Å; N495-I498 HydrophobicContact CB-CD1 3.92Å; N495-I498 HydrophobicContact CB-CG1 4.03Å; N495-I498 WeakPolarHBondContact O-CB 3.5Å; N495-I498 PolarHBondContact O-N 3.02Å; I498-K501 WeakPolarHBondContact O-CB 3.49Å; I498-K501 PolarHBondContact O-N 3.43Å; I498-A502 PolarHBondContact O-N 3.48Å
499I81.6Confident76.9Confident9 Ų954.7 Ų54.75%0.04630%0.296CS..Hα-helixtrans-67.4-41.6179-62161.1000110.6I456 T458 N495 I496 N497 K501 A502 G503 D504 L508I456-I499 HydrophobicContact CD1-CD1 3.37Å; I456-I499 HydrophobicContact CD1-CG2 4.38Å; I456-I499 HydrophobicContact CG1-CD1 3.09Å; T458-I499 HydrophobicContact CG2-CD1 3.16Å; T458-I499 HydrophobicContact CG2-CG1 3.67Å; N495-I499 WeakPolarHBondContact O-CG1 2.98Å; N495-I499 PolarHBondContact O-N 3.32Å; I496-I499 PolarHBondContact O-N 3.22Å; N497-I499 VanDerWaalsContact C-N 3.31Å; N497-I499 PolarHBondContact O-N 3.17Å; I499-K501 VanDerWaalsContact C-N 3.28Å; I499-K501 PolarHBondContact O-N 3.5Å; I499-A502 CarbonylContact O-C 3.59Å; I499-A502 PolarHBondContact O-N 3.26Å; I499-A502 VanDerWaalsContact O-N 3.14Å; I499-G503 PolarHBondContact O-N 3.41Å; I499-D504 HydrophobicContact CG2-CB 3.93Å; I499-D504 PolarHBondContact O-N 3.42Å; I499-L508 HydrophobicContact CG2-CD2 4.44Å; I499-L508 HydrophobicContact CG2-CG 4.19Å
500T82Confident78.3Confident0 Ų055.7 Ų55.70%029%0.294CS..Hα-helixtrans-63.2-36.6175.1-530000111.6I496 N497 G503 L508 P528 A532 A540 L544I496-T500 WeakPolarHBondContact O-CB 3.41Å; I496-T500 PolarHBondContact O-N 3.04Å; I496-T500 PolarHBondContact O-OG1 3.39Å; N497-T500 PolarHBondContact O-N 3.31Å; T500-G503 PolarHBondContact O-N 2.95Å; T500-L508 HydrophobicContact CG2-CD1 4.49Å; T500-P528 HydrophobicContact CG2-CB 4.44Å; T500-P528 WeakPolarHBondContact CG2-O 3.48Å; T500-A532 HydrophobicContact CG2-CB 3.74Å; T500-A540 HydrophobicContact CG2-CB 4.38Å; T500-L544 HydrophobicContact CG2-CD1 4.17Å
501K79.4Confident79.4Confident151 Ų15148.3 Ų48.366%0.65726%0.261SS*.Hα-helixtrans-65.9-40.2172.3-173.5179.8177.7-175.90112.3N497 I498 I499 G503 T531N497-K501 WeakPolarHBondContact O-CB 3.29Å; N497-K501 PolarHBondContact O-N 2.77Å; I498-K501 WeakPolarHBondContact O-CB 3.49Å; I498-K501 PolarHBondContact O-N 3.43Å; I499-K501 VanDerWaalsContact C-N 3.28Å; I499-K501 PolarHBondContact O-N 3.5Å; K501-G503 PolarHBondContact O-N 3.21Å; K501-T531 HydrophobicContact CB-CG2 4.09Å
502A75.5Confident80.1Confident84 Ų8444.2 Ų44.269%0.69424%0.243SC*.Hα-helixtrans-69.1-21.2175.400000113I498 I499I498-A502 PolarHBondContact O-N 3.48Å; I499-A502 CarbonylContact O-C 3.59Å; I499-A502 PolarHBondContact O-N 3.26Å; I499-A502 VanDerWaalsContact O-N 3.14Å
503G73Confident80.6Confident18 Ų1848.4 Ų48.419%0.18626%0.259CS..THydrogen-bonded Turntrans80.222.5178.100000114.4I499 T500 K501 L505 N537I499-G503 PolarHBondContact O-N 3.41Å; T500-G503 PolarHBondContact O-N 2.95Å; K501-G503 PolarHBondContact O-N 3.21Å; G503-L505 PolarHBondContact O-N 3.49Å; G503-L505 VanDerWaalsContact O-N 3.14Å; G503-N537 VanDerWaalsContact CA-ND2 3.29Å; G503-N537 WeakPolarHBondContact CA-ND2 3.22Å
504D77.8Confident80.3Confident56 Ų5648.6 Ų48.630%0.29927%0.27SS..  trans-79.991.5175.4177.36.1000110.7I499 A506 S507 L508I499-D504 HydrophobicContact CG2-CB 3.93Å; I499-D504 PolarHBondContact O-N 3.42Å; D504-A506 VanDerWaalsContact C-N 3.31Å; D504-A506 PolarHBondContact OD1-N 3.16Å; D504-A506 VanDerWaalsContact OD1-N 3.1Å; D504-S507 PolarHBondContact OD1-N 2.93Å; D504-S507 VanDerWaalsContact OD1-N 3.1Å; D504-S507 WeakPolarHBondContact OD2-CB 3.4Å; D504-S507 PolarHBondContact OD2-OG 3.38Å; D504-L508 WeakPolarHBondContact O-CG 3.33Å
505L79.3Confident80.1Confident48 Ų4849.7 Ų49.725%0.25129%0.287SS..Hα-helixtrans-72.4-23.5179.1-59.3179.4000112.8G503 L508 K509 D539 A540 F543G503-L505 PolarHBondContact O-N 3.49Å; G503-L505 VanDerWaalsContact O-N 3.14Å; L505-L508 HydrophobicContact CD2-CD1 4.44Å; L505-L508 PolarHBondContact O-N 3.05Å; L505-K509 WeakPolarHBondContact O-CB 3.49Å; L505-K509 VanDerWaalsContact O-CG 3.27Å; L505-K509 WeakPolarHBondContact O-CG 3.47Å; L505-K509 PolarHBondContact O-N 3.47Å; L505-D539 HydrophobicContact CD1-CB 4.29Å; L505-A540 HydrophobicContact CD2-CB 3.96Å; L505-F543 HydrophobicContact CD2-CB 4.38Å; L505-F543 HydrophobicContact CD2-CD1 4.17Å; L505-F543 HydrophobicContact CD2-CG 4.44Å
506A78.6Confident79.9Confident41 Ų4148.9 Ų48.934%0.33928%0.282SS..Hα-helixtrans-71.7-46-176.900000110.6D504 L508 K509 K510D504-A506 VanDerWaalsContact C-N 3.31Å; D504-A506 PolarHBondContact OD1-N 3.16Å; D504-A506 VanDerWaalsContact OD1-N 3.1Å; A506-L508 VanDerWaalsContact C-N 3.3Å; A506-L508 PolarHBondContact O-N 3.46Å; A506-K509 PolarHBondContact O-N 2.86Å; A506-K510 PolarHBondContact O-N 3.18Å; A506-K510 VanDerWaalsContact O-N 3.08Å
507S80.6Confident79.9Confident10 Ų1052 Ų527%0.0730%0.303CS..Hα-helixtrans-63.2-37.1174.1-63.50000111.9D504 A511D504-S507 PolarHBondContact OD1-N 2.93Å; D504-S507 VanDerWaalsContact OD1-N 3.1Å; D504-S507 WeakPolarHBondContact OD2-CB 3.4Å; D504-S507 PolarHBondContact OD2-OG 3.38Å; S507-A511 VanDerWaalsContact O-CB 3.31Å; S507-A511 WeakPolarHBondContact O-CB 3.49Å; S507-A511 PolarHBondContact O-N 3.42Å
508L82.3Confident79.8Confident0 Ų052.8 Ų52.80%031%0.307CS..Hα-helixtrans-66.5-43.3175-70.8173.2000112.8I456 I496 I499 T500 D504 L505 A506 K510 A511 F512 F543I456-L508 HydrophobicContact CD1-CD2 3.96Å; I496-L508 HydrophobicContact CD1-CD2 4.04Å; I496-L508 HydrophobicContact CG1-CD2 3.57Å; I499-L508 HydrophobicContact CG2-CD2 4.44Å; I499-L508 HydrophobicContact CG2-CG 4.19Å; T500-L508 HydrophobicContact CG2-CD1 4.49Å; D504-L508 WeakPolarHBondContact O-CG 3.33Å; L505-L508 HydrophobicContact CD2-CD1 4.44Å; L505-L508 PolarHBondContact O-N 3.05Å; A506-L508 VanDerWaalsContact C-N 3.3Å; A506-L508 PolarHBondContact O-N 3.46Å; L508-K510 PolarHBondContact O-N 2.89Å; L508-A511 WeakPolarHBondContact O-CB 3.28Å; L508-A511 PolarHBondContact O-N 3.21Å; L508-F512 HydrophobicContact CB-CE2 4.22Å; L508-F512 HydrophobicContact CD2-CZ 4.42Å; L508-F512 WeakPolarHBondContact O-CD2 3.2Å; L508-F512 WeakPolarHBondContact O-CG 3.39Å; L508-F512 PolarHBondContact O-N 3.11Å; L508-F543 HydrophobicContact CB-CE1 4.1Å
509K82.9Confident79.9Confident100 Ų10050.1 Ų50.144%0.43530%0.295SS..Hα-helixtrans-57.2-49.6175.1-79172.3-177.6-176.70111.4L505 A506 A511 F512 E513 F543L505-K509 WeakPolarHBondContact O-CB 3.49Å; L505-K509 VanDerWaalsContact O-CG 3.27Å; L505-K509 WeakPolarHBondContact O-CG 3.47Å; L505-K509 PolarHBondContact O-N 3.47Å; A506-K509 PolarHBondContact O-N 2.86Å; K509-A511 VanDerWaalsContact C-N 3.33Å; K509-A511 PolarHBondContact O-N 3.48Å; K509-F512 PolarHBondContact O-N 3.41Å; K509-E513 WeakPolarHBondContact O-CG 3.24Å; K509-E513 PolarHBondContact O-N 2.89Å; K509-F543 HydrophobicContact CB-CZ 4.2Å; K509-F543 HydrophobicContact CD-CE2 4.15Å; K509-F543 HydrophobicContact CD-CZ 4.27Å; K509-F543 VanDerWaalsContact CE-CE2 3.5Å; K509-F543 HydrophobicContact CG-CE1 4.04Å; K509-F543 HydrophobicContact CG-CE2 3.52Å; K509-F543 HydrophobicContact CG-CZ 3.19Å
510K81.2Confident79.9Confident69 Ų6951.6 Ų51.630%0.330%0.302SS..Hα-helixtrans-61.9-40.6178.4-171.6175.7-176.9170.70112.2Y459 A506 L508 E513 S514Y459-K510 PolarHBondContact OH-NZ 3.36Å; A506-K510 PolarHBondContact O-N 3.18Å; A506-K510 VanDerWaalsContact O-N 3.08Å; L508-K510 PolarHBondContact O-N 2.89Å; K510-E513 PolarHBondContact O-N 3.08Å; K510-S514 WeakPolarHBondContact O-CB 3.4Å; K510-S514 PolarHBondContact O-N 3.04Å; K510-S514 PolarHBondContact O-OG 3.04Å
511A80.3Confident80Confident6 Ų655.6 Ų55.65%0.0532%0.319CS..Hα-helixtrans-60.2-4617600000111.9I456 S507 L508 K509 S514 I516I456-A511 HydrophobicContact CB-CB 4.05Å; I456-A511 HydrophobicContact CD1-CB 3.82Å; I456-A511 HydrophobicContact CG2-CB 3.92Å; S507-A511 VanDerWaalsContact O-CB 3.31Å; S507-A511 WeakPolarHBondContact O-CB 3.49Å; S507-A511 PolarHBondContact O-N 3.42Å; L508-A511 WeakPolarHBondContact O-CB 3.28Å; L508-A511 PolarHBondContact O-N 3.21Å; K509-A511 VanDerWaalsContact C-N 3.33Å; K509-A511 PolarHBondContact O-N 3.48Å; A511-S514 PolarHBondContact O-N 3.06Å; A511-S514 PolarHBondContact O-OG 3.29Å; A511-I516 HydrophobicContact CB-CD1 4.05Å; A511-I516 WeakPolarHBondContact O-CB 3.34Å; A511-I516 WeakPolarHBondContact O-CG1 3.33Å; A511-I516 PolarHBondContact O-N 3.35Å
512F82.4Confident80Confident26 Ų2649.2 Ų49.211%0.11429%0.292CS..Hα-helixtrans-70.8-36.5178.9-59.3-38000112.9I496 L508 K509 S514 G515 I516 V518 F543 L544 K547I496-F512 HydrophobicContact CD1-CE1 4.06Å; I496-F512 HydrophobicContact CD1-CZ 4.34Å; L508-F512 HydrophobicContact CB-CE2 4.22Å; L508-F512 HydrophobicContact CD2-CZ 4.42Å; L508-F512 WeakPolarHBondContact O-CD2 3.2Å; L508-F512 WeakPolarHBondContact O-CG 3.39Å; L508-F512 PolarHBondContact O-N 3.11Å; K509-F512 PolarHBondContact O-N 3.41Å; F512-S514 PolarHBondContact O-N 3.39Å; F512-G515 PolarHBondContact O-N 2.9Å; F512-G515 VanDerWaalsContact O-N 3.08Å; F512-I516 WeakPolarHBondContact CD1-O 3.36Å; F512-V518 HydrophobicContact CD1-CG2 3.97Å; F512-V518 HydrophobicContact CE1-CB 4.24Å; F512-V518 HydrophobicContact CE1-CG1 4.36Å; F512-V518 HydrophobicContact CE1-CG2 4.04Å; F512-V518 HydrophobicContact CG-CG2 4.26Å; F512-V518 HydrophobicContact CZ-CB 4.47Å; F512-V518 HydrophobicContact CZ-CG1 4.1Å; F512-V518 HydrophobicContact CZ-CG2 4.37Å; F512-F543 AromaticContact CD2-CE1 3.91Å; F512-F543 HydrophobicContact CD2-CE1 3.91Å; F512-F543 HydrophobicContact CD2-CZ 4.13Å; F512-F543 AromaticContact CE2-CE1 3.79Å; F512-F543 HydrophobicContact CE2-CE1 3.79Å; F512-F543 HydrophobicContact CE2-CZ 4.46Å; F512-L544 HydrophobicContact CE2-CD2 3.69Å; F512-L544 HydrophobicContact CZ-CD2 3.63Å; F512-K547 HydrophobicContact CD2-CG 4.4Å
513E81.3Confident80Confident140 Ų14050.2 Ų50.265%0.65429%0.286SS*.Hα-helixtrans-61.6-32.5170.9-74.2170.4-171.400112.4K509 K510 G515K509-E513 WeakPolarHBondContact O-CG 3.24Å; K509-E513 PolarHBondContact O-N 2.89Å; K510-E513 PolarHBondContact O-N 3.08Å; E513-G515 PolarHBondContact O-N 3.36Å
514S74.4Confident80.2Confident79 Ų7957.2 Ų57.255%0.55231%0.308SS*.THydrogen-bonded Turntrans-75.44.5175.275.90000114.6K510 A511 F512K510-S514 WeakPolarHBondContact O-CB 3.4Å; K510-S514 PolarHBondContact O-N 3.04Å; K510-S514 PolarHBondContact O-OG 3.04Å; A511-S514 PolarHBondContact O-N 3.06Å; A511-S514 PolarHBondContact O-OG 3.29Å; F512-S514 PolarHBondContact O-N 3.39Å
515G75.6Confident80.4Confident59 Ų5958.6 Ų58.661%0.60831%0.31SS*.THydrogen-bonded Turntrans86.315.2175.600000114.9F512 E513F512-G515 PolarHBondContact O-N 2.9Å; F512-G515 VanDerWaalsContact O-N 3.08Å; E513-G515 PolarHBondContact O-N 3.36Å
516I80.6Confident80.6Confident9 Ų960 Ų605%0.04631%0.314CS..  trans-73.9130.6173.5-58.6-179.5000108.9I456 A511 F512 M520I456-I516 HydrophobicContact CB-CD1 4.39Å; I456-I516 HydrophobicContact CG2-CD1 3.55Å; A511-I516 HydrophobicContact CB-CD1 4.05Å; A511-I516 WeakPolarHBondContact O-CB 3.34Å; A511-I516 WeakPolarHBondContact O-CG1 3.33Å; A511-I516 PolarHBondContact O-N 3.35Å; F512-I516 WeakPolarHBondContact CD1-O 3.36Å; I516-M520 HydrophobicContact CG2-CG 4Å
517P83Confident81Confident67 Ų6758 Ų5844%0.43530%0.297SS..  trans-60.9148.3177.4-21.731.8000112.5M520P517-M520 HydrophobicContact CB-CG 3.87Å; P517-M520 HydrophobicContact CB-SD 3.74Å; P517-M520 HydrophobicContact CG-CG 4.16Å; P517-M520 HydrophobicContact CG-SD 3.59Å; P517-M520 VanDerWaalsContact CG-SD 3.59Å; P517-M520 WeakPolarHBondContact O-CG 3.36Å
518V83.4Confident81.4Confident25 Ų2557.6 Ų57.615%0.15229%0.294CS..THydrogen-bonded Turntrans-74.5-35-178.3-176.50000111.7F512 M520 L544 K547 A549F512-V518 HydrophobicContact CD1-CG2 3.97Å; F512-V518 HydrophobicContact CE1-CB 4.24Å; F512-V518 HydrophobicContact CE1-CG1 4.36Å; F512-V518 HydrophobicContact CE1-CG2 4.04Å; F512-V518 HydrophobicContact CG-CG2 4.26Å; F512-V518 HydrophobicContact CZ-CB 4.47Å; F512-V518 HydrophobicContact CZ-CG1 4.1Å; F512-V518 HydrophobicContact CZ-CG2 4.37Å; V518-M520 VanDerWaalsContact C-N 3.28Å; V518-M520 PolarHBondContact O-N 3.48Å; V518-L544 HydrophobicContact CG1-CD2 4.01Å; V518-K547 HydrophobicContact CG1-CB 4.44Å; V518-K547 HydrophobicContact CG2-CB 4.06Å; V518-A549 HydrophobicContact CG1-CB 3.73Å
519D83.3Confident81.8Confident56 Ų5657.7 Ų57.730%0.29930%0.295SS..THydrogen-bonded Turntrans-91.327.9-177.7-65-39.9000114K521 A549 N550D519-K521 PolarHBondContact O-N 3.03Å; D519-A549 WeakPolarHBondContact OD1-CA 3.42Å; D519-N550 VanDerWaalsContact CG-N 3.35Å; D519-N550 PolarHBondContact OD1-N 3.03Å; D519-N550 WeakPolarHBondContact OD2-CB 3.43Å; D519-N550 PolarHBondContact OD2-N 3.49Å; D519-N550 VanDerWaalsContact OD2-N 3.17Å
520M82.1Confident82.1Confident39 Ų3953 Ų5319%0.19227%0.274CS..  trans-61.1131.6179.5-74.1-57.8-52.400111.3Y453 I516 P517 V518 P528Y453-M520 VanDerWaalsContact CB-CE 3.46Å; Y453-M520 HydrophobicContact CG-CE 4.45Å; I516-M520 HydrophobicContact CG2-CG 4Å; P517-M520 HydrophobicContact CB-CG 3.87Å; P517-M520 HydrophobicContact CB-SD 3.74Å; P517-M520 HydrophobicContact CG-CG 4.16Å; P517-M520 HydrophobicContact CG-SD 3.59Å; P517-M520 VanDerWaalsContact CG-SD 3.59Å; P517-M520 WeakPolarHBondContact O-CG 3.36Å; V518-M520 VanDerWaalsContact C-N 3.28Å; V518-M520 PolarHBondContact O-N 3.48Å; M520-P528 WeakPolarHBondContact O-CD 3.45Å
521K82.5Confident82.4Confident84 Ų8450.7 Ų50.737%0.36527%0.266SS..  trans-96.3131.6177.8-67.2-167.1-174.1-163.50110D519 Y525 T527 T554D519-K521 PolarHBondContact O-N 3.03Å; K521-Y525 HydrophobicContact CD-CD1 3.79Å; K521-Y525 HydrophobicContact CD-CG 4.41Å; K521-T527 HydrophobicContact CG-CG2 4.13Å; K521-T554 PolarHBondContact NZ-O 3.33Å
522D79.7Confident82.7Confident17 Ų1750.4 Ų50.49%0.09126%0.264CS..  trans-76.5179.6171.3-174.219.3000111.2N495 N497 Y524 Y525 K526N495-D522 PolarHBondContact ND2-OD1 3.2Å; N495-D522 PolarHBondContact ND2-OD2 3.38Å; N497-D522 WeakPolarHBondContact ND2-CB 3.33Å; D522-Y524 PolarHBondContact O-N 3.39Å; D522-Y525 WeakPolarHBondContact O-CA 3.48Å; D522-Y525 PolarHBondContact O-N 3.36Å; D522-K526 PolarHBondContact N-O 3.29Å
523N76.8Confident83Confident106 Ų10649.1 Ų49.157%0.56726%0.258SS*.THydrogen-bonded Turntrans-54.5-23.9176.4-65.9-19.4000113.3
524Y76.1Confident83.1Confident165 Ų16544.7 Ų44.765%0.64725%0.246SC*.THydrogen-bonded Turntrans-91.2-1.3175.7-64-72.9000114.5D522 K526 N556D522-Y524 PolarHBondContact O-N 3.39Å; Y524-K526 VanDerWaalsContact C-N 3.31Å; Y524-N556 PolarHBondContact O-ND2 2.95Å
525Y81.2Confident83.4Confident85 Ų8543 Ų4333%0.33323%0.234SC..  trans72.213.3-173.5-67.8-107000116.4K521 D522 D555 N556 Y685K521-Y525 HydrophobicContact CD-CD1 3.79Å; K521-Y525 HydrophobicContact CD-CG 4.41Å; D522-Y525 WeakPolarHBondContact O-CA 3.48Å; D522-Y525 PolarHBondContact O-N 3.36Å; Y525-D555 WeakPolarHBondContact CB-OD1 3.45Å; Y525-N556 WeakPolarHBondContact CB-OD1 3.44Å; Y525-N556 VanDerWaalsContact CD2-CG 3.4Å; Y525-N556 WeakPolarHBondContact CD2-ND2 3.45Å; Y525-N556 WeakPolarHBondContact CD2-OD1 3.16Å; Y525-N556 WeakPolarHBondContact CE2-OD1 3.44Å; Y525-Y685 PolarHBondContact OH-OH 2.95Å
526K84.3Confident83.6Confident77 Ų7740.7 Ų40.734%0.33521%0.21SC..  trans-80.9134.3176.3-66.9-176.5180-177.40112.4N497 D522 Y524 D555N497-K526 PolarHBondContact ND2-O 3.34Å; D522-K526 PolarHBondContact N-O 3.29Å; Y524-K526 VanDerWaalsContact C-N 3.31Å; K526-D555 WeakPolarHBondContact CE-OD2 3.42Å; K526-D555 WeakPolarHBondContact CG-OD2 3.35Å; K526-D555 PolarHBondContact N-OD1 3.08Å
527T88.2Confident83.7Confident0 Ų041.6 Ų41.60%022%0.215CC..  trans-88.9160172.365.30000111.8N497 K521 L529 M530 T531 A553N497-T527 PolarHBondContact OD1-O 3.43Å; K521-T527 HydrophobicContact CG-CG2 4.13Å; T527-L529 PolarHBondContact O-N 3.45Å; T527-M530 HydrophobicContact CG2-CE 4.35Å; T527-M530 PolarHBondContact O-N 3.41Å; T527-M530 WeakPolarHBondContact OG1-CG 3.35Å; T527-M530 PolarHBondContact OG1-N 2.95Å; T527-T531 PolarHBondContact O-N 3.38Å; T527-T531 PolarHBondContact O-OG1 2.72Å; T527-A553 HydrophobicContact CG2-CB 3.93Å
528P88.1Confident83.7Confident1 Ų139 Ų391%0.00620%0.197CC..Hα-helixtrans-54.1-40.7173.5-2835.9000112.1I496 N497 T500 M520 M530 T531 A532 L544I496-P528 HydrophobicContact CD1-CG 3.82Å; I496-P528 HydrophobicContact CG1-CG 3.94Å; I496-P528 HydrophobicContact CG2-CG 4.12Å; N497-P528 WeakPolarHBondContact OD1-CA 3.39Å; T500-P528 HydrophobicContact CG2-CB 4.44Å; T500-P528 WeakPolarHBondContact CG2-O 3.48Å; M520-P528 WeakPolarHBondContact O-CD 3.45Å; P528-M530 PolarHBondContact O-N 3.43Å; P528-T531 PolarHBondContact O-N 2.97Å; P528-T531 VanDerWaalsContact O-N 3.16Å; P528-A532 PolarHBondContact O-N 3.36Å; P528-L544 HydrophobicContact CB-CD1 3.88Å; P528-L544 HydrophobicContact CB-CD2 4.06Å
529L90.4Very high83.7Confident1 Ų141.8 Ų41.81%0.00521%0.211CC..Hα-helixtrans-62.2-44179.6-175.863.6000112T527 T531 A532 C533 V541 L544 L545 A549 P561 L577T527-L529 PolarHBondContact O-N 3.45Å; L529-T531 VanDerWaalsContact C-N 3.28Å; L529-T531 PolarHBondContact O-N 2.99Å; L529-A532 PolarHBondContact O-N 3.5Å; L529-C533 PolarHBondContact O-N 3Å; L529-C533 PolarHBondContact O-SG 3.06Å; L529-V541 HydrophobicContact CD1-CG1 4.09Å; L529-L544 HydrophobicContact CB-CD1 4.35Å; L529-L544 HydrophobicContact CD1-CB 4.19Å; L529-L544 HydrophobicContact CD1-CD1 4.48Å; L529-L545 HydrophobicContact CD1-CD2 4.39Å; L529-L545 HydrophobicContact CD1-CG 4.34Å; L529-L545 HydrophobicContact CD2-CD2 4.15Å; L529-A549 HydrophobicContact CB-CB 4.32Å; L529-A549 HydrophobicContact CD2-CB 4Å; L529-P561 HydrophobicContact CD2-CB 4.21Å; L529-P561 HydrophobicContact CD2-CG 3.88Å; L529-P561 HydrophobicContact CG-CB 4.16Å; L529-P561 HydrophobicContact CG-CG 4.09Å; L529-L577 HydrophobicContact CD2-CD2 4.48Å
530M89.6Confident83.8Confident1 Ų139.1 Ų39.11%0.00520%0.197CC..Hα-helixtrans-59.9-40.9175.1-68.7168.8-174.400111.8T527 P528 C533 A534 A553 D555 W559 P561 F564T527-M530 HydrophobicContact CG2-CE 4.35Å; T527-M530 PolarHBondContact O-N 3.41Å; T527-M530 WeakPolarHBondContact OG1-CG 3.35Å; T527-M530 PolarHBondContact OG1-N 2.95Å; P528-M530 PolarHBondContact O-N 3.43Å; M530-C533 PolarHBondContact O-N 2.94Å; M530-A534 WeakPolarHBondContact O-CB 3.47Å; M530-A534 PolarHBondContact O-N 3.4Å; M530-A553 HydrophobicContact CE-CB 3.88Å; M530-A553 WeakPolarHBondContact CE-O 3.48Å; M530-D555 HydrophobicContact CE-CB 4.34Å; M530-D555 HydrophobicContact SD-CB 4.03Å; M530-W559 WeakPolarHBondContact CE-O 3.42Å; M530-P561 HydrophobicContact CG-CG 3.93Å; M530-F564 HydrophobicContact CB-CD2 3.77Å; M530-F564 HydrophobicContact CB-CE2 3.87Å; M530-F564 HydrophobicContact CB-CG 4.46Å; M530-F564 HydrophobicContact CG-CD2 3.84Å; M530-F564 HydrophobicContact CG-CE2 3.83Å; M530-F564 HydrophobicContact SD-CD2 4.46Å; M530-F564 HydrophobicContact SD-CE2 3.86Å
531T87Confident84.1Confident21 Ų2137.2 Ų37.213%0.12919%0.188CC..Hα-helixtrans-68.9-39.6-179.9-53.40000111.7N497 K501 T527 P528 L529 C533 A534 S535N497-T531 HydrophobicContact CB-CG2 4.26Å; N497-T531 VanDerWaalsContact O-CG2 3.29Å; N497-T531 WeakPolarHBondContact O-CG2 3.5Å; N497-T531 PolarHBondContact OD1-OG1 3.11Å; K501-T531 HydrophobicContact CB-CG2 4.09Å; T527-T531 PolarHBondContact O-N 3.38Å; T527-T531 PolarHBondContact O-OG1 2.72Å; P528-T531 PolarHBondContact O-N 2.97Å; P528-T531 VanDerWaalsContact O-N 3.16Å; L529-T531 VanDerWaalsContact C-N 3.28Å; L529-T531 PolarHBondContact O-N 2.99Å; T531-C533 VanDerWaalsContact C-N 3.35Å; T531-A534 PolarHBondContact O-N 2.95Å; T531-S535 PolarHBondContact O-N 3.09Å; T531-S535 PolarHBondContact O-OG 2.91Å
532A86.9Confident84.4Confident0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-62.5-40.5173.800000112.3T500 P528 L529 S535 G536 N537 A540 V541 L544T500-A532 HydrophobicContact CG2-CB 3.74Å; P528-A532 PolarHBondContact O-N 3.36Å; L529-A532 PolarHBondContact O-N 3.5Å; A532-S535 PolarHBondContact O-N 3.21Å; A532-S535 PolarHBondContact O-OG 3.29Å; A532-S535 VanDerWaalsContact O-OG 3.11Å; A532-G536 PolarHBondContact O-N 3.26Å; A532-G536 VanDerWaalsContact O-N 3.08Å; A532-N537 PolarHBondContact O-N 3.01Å; A532-A540 HydrophobicContact CB-CB 4.05Å; A532-V541 HydrophobicContact CB-CG2 3.69Å; A532-L544 HydrophobicContact CB-CD1 4.21Å
533C88.1Confident84.8Confident0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-66.6-39.6177-65.20000112.1L529 M530 T531 F564 A565 I573L529-C533 PolarHBondContact O-N 3Å; L529-C533 PolarHBondContact O-SG 3.06Å; M530-C533 PolarHBondContact O-N 2.94Å; T531-C533 VanDerWaalsContact C-N 3.35Å; C533-F564 HydrophobicContact CB-CB 4.18Å; C533-A565 HydrophobicContact CB-CB 4.15Å; C533-I573 HydrophobicContact CB-CG2 4.3Å
534A84.8Confident85.3Confident47 Ų4732.9 Ų32.939%0.38816%0.163SC..Hα-helixtrans-70-32.4176.900000113M530 T531 F564M530-A534 WeakPolarHBondContact O-CB 3.47Å; M530-A534 PolarHBondContact O-N 3.4Å; T531-A534 PolarHBondContact O-N 2.95Å; A534-F564 HydrophobicContact CB-CB 4.26Å; A534-F564 HydrophobicContact CB-CD1 4.08Å
535S80.3Confident85.9Confident43 Ų4326.6 Ų26.630%0.30114%0.14SC..Hα-helixtrans-83.9-15.3178.767.40000114T531 A532T531-S535 PolarHBondContact O-N 3.09Å; T531-S535 PolarHBondContact O-OG 2.91Å; A532-S535 PolarHBondContact O-N 3.21Å; A532-S535 PolarHBondContact O-OG 3.29Å; A532-S535 VanDerWaalsContact O-OG 3.11Å
536G79Confident86.3Confident11 Ų1129.8 Ų29.811%0.11316%0.158CC..THydrogen-bonded Turntrans7917.8-177.500000114.4A532 I538A532-G536 PolarHBondContact O-N 3.26Å; A532-G536 VanDerWaalsContact O-N 3.08Å; G536-I538 PolarHBondContact O-N 2.88Å
537N82.2Confident86.3Confident27 Ų2731.2 Ų31.214%0.14417%0.165CC..  trans-86.790.7-178.2-171.6-2.4000111.8G503 A532 D539 A540 V541G503-N537 VanDerWaalsContact CA-ND2 3.29Å; G503-N537 WeakPolarHBondContact CA-ND2 3.22Å; A532-N537 PolarHBondContact O-N 3.01Å; N537-D539 VanDerWaalsContact C-N 3.32Å; N537-D539 PolarHBondContact O-N 2.91Å; N537-D539 PolarHBondContact OD1-N 3.16Å; N537-A540 HydrophobicContact CB-CB 4.14Å; N537-A540 PolarHBondContact O-N 3.39Å; N537-V541 WeakPolarHBondContact O-CG2 3.28Å; N537-V541 PolarHBondContact O-N 3.23Å; N537-V541 VanDerWaalsContact O-N 3.1Å
538I83.7Confident86.1Confident12 Ų1234 Ų346%0.06219%0.193CC..Hα-helixtrans-59.3-40-177.1-54.5-164.5000112.6G536 A540 V541 K542 D572 I573 L576 R745G536-I538 PolarHBondContact O-N 2.88Å; I538-A540 VanDerWaalsContact C-N 3.29Å; I538-A540 PolarHBondContact O-N 3.35Å; I538-V541 WeakPolarHBondContact O-CB 3.41Å; I538-V541 PolarHBondContact O-N 3.42Å; I538-V541 VanDerWaalsContact O-N 3.12Å; I538-K542 HydrophobicContact CG2-CD 4.21Å; I538-K542 HydrophobicContact CG2-CG 4.27Å; I538-K542 PolarHBondContact O-N 3.43Å; I538-D572 HydrophobicContact CD1-CB 3.41Å; I538-D572 VanDerWaalsContact CD1-CB 3.41Å; I538-D572 WeakPolarHBondContact CD1-OD2 3.24Å; I538-I573 HydrophobicContact CD1-CG1 4.28Å; I538-I573 HydrophobicContact CG1-CD1 4.05Å; I538-I573 HydrophobicContact CG1-CG1 3.73Å; I538-L576 HydrophobicContact CG2-CD1 3.65Å; I538-R745 VanDerWaalsContact CD1-NH1 3.33Å
539D84.3Confident86.1Confident84 Ų8434.2 Ų34.245%0.44920%0.195SC..Hα-helixtrans-64.3-38.6-177.2-57.7-31.7000110.9L505 N537 F543L505-D539 HydrophobicContact CD1-CB 4.29Å; N537-D539 VanDerWaalsContact C-N 3.32Å; N537-D539 PolarHBondContact O-N 2.91Å; N537-D539 PolarHBondContact OD1-N 3.16Å; D539-F543 VanDerWaalsContact O-CB 3.26Å; D539-F543 WeakPolarHBondContact O-CB 3.05Å; D539-F543 PolarHBondContact O-N 3.12Å
540A85.6Confident86Confident0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-68.3-38.3173.500000112.3T500 L505 A532 N537 I538 L544T500-A540 HydrophobicContact CG2-CB 4.38Å; L505-A540 HydrophobicContact CD2-CB 3.96Å; A532-A540 HydrophobicContact CB-CB 4.05Å; N537-A540 HydrophobicContact CB-CB 4.14Å; N537-A540 PolarHBondContact O-N 3.39Å; I538-A540 VanDerWaalsContact C-N 3.29Å; I538-A540 PolarHBondContact O-N 3.35Å; A540-L544 WeakPolarHBondContact O-CB 3.32Å; A540-L544 WeakPolarHBondContact O-CD1 3.48Å; A540-L544 WeakPolarHBondContact O-CG 3.22Å; A540-L544 PolarHBondContact O-N 3.04Å
541V88.1Confident86Confident0 Ų038.6 Ų38.60%022%0.219CC..Hα-helixtrans-62-51175.5172.80000110.7L529 A532 N537 I538 F543 L544 L545 I573L529-V541 HydrophobicContact CD1-CG1 4.09Å; A532-V541 HydrophobicContact CB-CG2 3.69Å; N537-V541 WeakPolarHBondContact O-CG2 3.28Å; N537-V541 PolarHBondContact O-N 3.23Å; N537-V541 VanDerWaalsContact O-N 3.1Å; I538-V541 WeakPolarHBondContact O-CB 3.41Å; I538-V541 PolarHBondContact O-N 3.42Å; I538-V541 VanDerWaalsContact O-N 3.12Å; V541-F543 VanDerWaalsContact C-N 3.35Å; V541-F543 PolarHBondContact O-N 3.33Å; V541-L544 PolarHBondContact O-N 3.16Å; V541-L545 HydrophobicContact CG1-CD1 3.73Å; V541-L545 HydrophobicContact CG1-CG 4.36Å; V541-L545 WeakPolarHBondContact O-CB 3.41Å; V541-L545 VanDerWaalsContact O-CG 3.25Å; V541-L545 WeakPolarHBondContact O-CG 3.41Å; V541-L545 PolarHBondContact O-N 2.93Å; V541-I573 HydrophobicContact CG1-CG2 4.35Å; V541-I573 HydrophobicContact CG2-CD1 4.3Å; V541-I573 HydrophobicContact CG2-CG2 4.15Å
542K88.3Confident86Confident98 Ų9839.4 Ų39.443%0.42622%0.222SC..Hα-helixtrans-57.6-48177.5-71.8-178.1178.1-177.70111.5I538 L544 L545 E546 L576I538-K542 HydrophobicContact CG2-CD 4.21Å; I538-K542 HydrophobicContact CG2-CG 4.27Å; I538-K542 PolarHBondContact O-N 3.43Å; K542-L544 PolarHBondContact O-N 3.27Å; K542-L545 PolarHBondContact O-N 2.84Å; K542-E546 WeakPolarHBondContact O-CG 3.46Å; K542-E546 PolarHBondContact O-N 3.49Å; K542-L576 HydrophobicContact CG-CD1 4.19Å
543F87.6Confident86Confident17 Ų1739.8 Ų39.88%0.07523%0.226CC..Hα-helixtrans-60.7-42179.4176.3-108.6000113.1L505 L508 K509 F512 D539 V541 K547L505-F543 HydrophobicContact CD2-CB 4.38Å; L505-F543 HydrophobicContact CD2-CD1 4.17Å; L505-F543 HydrophobicContact CD2-CG 4.44Å; L508-F543 HydrophobicContact CB-CE1 4.1Å; K509-F543 HydrophobicContact CB-CZ 4.2Å; K509-F543 HydrophobicContact CD-CE2 4.15Å; K509-F543 HydrophobicContact CD-CZ 4.27Å; K509-F543 VanDerWaalsContact CE-CE2 3.5Å; K509-F543 HydrophobicContact CG-CE1 4.04Å; K509-F543 HydrophobicContact CG-CE2 3.52Å; K509-F543 HydrophobicContact CG-CZ 3.19Å; F512-F543 AromaticContact CD2-CE1 3.91Å; F512-F543 HydrophobicContact CD2-CE1 3.91Å; F512-F543 HydrophobicContact CD2-CZ 4.13Å; F512-F543 AromaticContact CE2-CE1 3.79Å; F512-F543 HydrophobicContact CE2-CE1 3.79Å; F512-F543 HydrophobicContact CE2-CZ 4.46Å; D539-F543 VanDerWaalsContact O-CB 3.26Å; D539-F543 WeakPolarHBondContact O-CB 3.05Å; D539-F543 PolarHBondContact O-N 3.12Å; V541-F543 VanDerWaalsContact C-N 3.35Å; V541-F543 PolarHBondContact O-N 3.33Å; F543-K547 HydrophobicContact CE1-CG 4.49Å; F543-K547 HydrophobicContact CE2-CG 4.08Å; F543-K547 HydrophobicContact CZ-CG 3.99Å; F543-K547 WeakPolarHBondContact O-CG 3.24Å; F543-K547 PolarHBondContact O-N 2.92Å
544L88.4Confident86Confident0 Ų042.2 Ų42.20%024%0.24CC..Hα-helixtrans-69.2-38.2178.2-71.8168.5000112T500 F512 V518 P528 L529 A532 A540 V541 K542 K547 G548 A549T500-L544 HydrophobicContact CG2-CD1 4.17Å; F512-L544 HydrophobicContact CE2-CD2 3.69Å; F512-L544 HydrophobicContact CZ-CD2 3.63Å; V518-L544 HydrophobicContact CG1-CD2 4.01Å; P528-L544 HydrophobicContact CB-CD1 3.88Å; P528-L544 HydrophobicContact CB-CD2 4.06Å; L529-L544 HydrophobicContact CB-CD1 4.35Å; L529-L544 HydrophobicContact CD1-CB 4.19Å; L529-L544 HydrophobicContact CD1-CD1 4.48Å; A532-L544 HydrophobicContact CB-CD1 4.21Å; A540-L544 WeakPolarHBondContact O-CB 3.32Å; A540-L544 WeakPolarHBondContact O-CD1 3.48Å; A540-L544 WeakPolarHBondContact O-CG 3.22Å; A540-L544 PolarHBondContact O-N 3.04Å; V541-L544 PolarHBondContact O-N 3.16Å; K542-L544 PolarHBondContact O-N 3.27Å; L544-K547 CarbonylContact O-C 3.37Å; L544-K547 PolarHBondContact O-N 3.35Å; L544-G548 PolarHBondContact O-N 2.78Å; L544-A549 HydrophobicContact CB-CB 4.1Å; L544-A549 WeakPolarHBondContact O-CB 3.49Å; L544-A549 PolarHBondContact O-N 3.28Å
545L88.8Confident86.1Confident33 Ų3340.3 Ų40.317%0.17322%0.224CC..Hα-helixtrans-65.2-42.8175.3-68.9170.3000111.8L529 V541 K542 K547 G548 V551L529-L545 HydrophobicContact CD1-CD2 4.39Å; L529-L545 HydrophobicContact CD1-CG 4.34Å; L529-L545 HydrophobicContact CD2-CD2 4.15Å; V541-L545 HydrophobicContact CG1-CD1 3.73Å; V541-L545 HydrophobicContact CG1-CG 4.36Å; V541-L545 WeakPolarHBondContact O-CB 3.41Å; V541-L545 VanDerWaalsContact O-CG 3.25Å; V541-L545 WeakPolarHBondContact O-CG 3.41Å; V541-L545 PolarHBondContact O-N 2.93Å; K542-L545 PolarHBondContact O-N 2.84Å; L545-K547 PolarHBondContact O-N 2.94Å; L545-G548 PolarHBondContact O-N 3.01Å; L545-V551 HydrophobicContact CD2-CG2 3.58Å
546E88.4Confident86.3Confident153 Ų15342.1 Ų42.172%0.71523%0.23SC*.Hα-helixtrans-58.9-31.6173.2-75.7173.6-171.200112.7K542 G548K542-E546 WeakPolarHBondContact O-CG 3.46Å; K542-E546 PolarHBondContact O-N 3.49Å; E546-G548 VanDerWaalsContact C-N 3.27Å; E546-G548 PolarHBondContact O-N 3.49Å
547K84.4Confident86.6Confident107 Ų10747.9 Ų47.947%0.46525%0.252SS..THydrogen-bonded Turntrans-84.54175.9-67.1-64.1-178.4-177.30113.9F512 V518 F543 L544 L545F512-K547 HydrophobicContact CD2-CG 4.4Å; V518-K547 HydrophobicContact CG1-CB 4.44Å; V518-K547 HydrophobicContact CG2-CB 4.06Å; F543-K547 HydrophobicContact CE1-CG 4.49Å; F543-K547 HydrophobicContact CE2-CG 4.08Å; F543-K547 HydrophobicContact CZ-CG 3.99Å; F543-K547 WeakPolarHBondContact O-CG 3.24Å; F543-K547 PolarHBondContact O-N 2.92Å; L544-K547 CarbonylContact O-C 3.37Å; L544-K547 PolarHBondContact O-N 3.35Å; L545-K547 PolarHBondContact O-N 2.94Å
548G84.5Confident86.7Confident57 Ų5750.4 Ų50.459%0.58827%0.266SS*.THydrogen-bonded Turntrans84.127.9174.100000114.6L544 L545 E546L544-G548 PolarHBondContact O-N 2.78Å; L545-G548 PolarHBondContact O-N 3.01Å; E546-G548 VanDerWaalsContact C-N 3.27Å; E546-G548 PolarHBondContact O-N 3.49Å
549A88.6Confident86.9Confident7 Ų752 Ų526%0.05827%0.271CS..  trans-58.7138174.600000112V518 D519 L529 L544 V551V518-A549 HydrophobicContact CG1-CB 3.73Å; D519-A549 WeakPolarHBondContact OD1-CA 3.42Å; L529-A549 HydrophobicContact CB-CB 4.32Å; L529-A549 HydrophobicContact CD2-CB 4Å; L544-A549 HydrophobicContact CB-CB 4.1Å; L544-A549 WeakPolarHBondContact O-CB 3.49Å; L544-A549 PolarHBondContact O-N 3.28Å; A549-V551 PolarHBondContact O-N 3.24Å; A549-V551 VanDerWaalsContact O-N 3.11Å
550N87.8Confident87.1Confident80 Ų8048.2 Ų48.243%0.42825%0.251SS..  trans-72.6106.3178.2-175.1-7.1000111.2D519 N552 A553D519-N550 VanDerWaalsContact CG-N 3.35Å; D519-N550 PolarHBondContact OD1-N 3.03Å; D519-N550 WeakPolarHBondContact OD2-CB 3.43Å; D519-N550 PolarHBondContact OD2-N 3.49Å; D519-N550 VanDerWaalsContact OD2-N 3.17Å; N550-N552 PolarHBondContact O-N 2.96Å; N550-N552 PolarHBondContact OD1-N 3.15Å; N550-A553 HydrophobicContact CB-CB 4.3Å; N550-A553 WeakPolarHBondContact O-CB 3.34Å; N550-A553 PolarHBondContact O-N 2.86Å; N550-A553 VanDerWaalsContact O-N 3.17Å; N550-A553 PolarHBondContact OD1-N 3.35Å
551V88.7Confident87.4Confident14 Ų1448.2 Ų48.29%0.08525%0.251CS..THydrogen-bonded Turntrans-60.6-25.2-179.3-166.90000112.9L545 A549 P561 L577 A582L545-V551 HydrophobicContact CD2-CG2 3.58Å; A549-V551 PolarHBondContact O-N 3.24Å; A549-V551 VanDerWaalsContact O-N 3.11Å; V551-P561 VanDerWaalsContact O-CD 3.25Å; V551-P561 WeakPolarHBondContact O-CD 3.46Å; V551-P561 VanDerWaalsContact O-CG 3.31Å; V551-P561 WeakPolarHBondContact O-CG 3.21Å; V551-L577 HydrophobicContact CG1-CB 4.5Å; V551-L577 HydrophobicContact CG1-CD2 3.88Å; V551-A582 HydrophobicContact CG1-CB 3.68Å
552N88.3Confident87.5Confident37 Ų3748.3 Ų48.320%0.19825%0.251CS..THydrogen-bonded Turntrans-108.816.3-176.7-65.2-54.5000112.8N550 G581 A582 F583N550-N552 PolarHBondContact O-N 2.96Å; N550-N552 PolarHBondContact OD1-N 3.15Å; N552-G581 PolarHBondContact ND2-O 3.45Å; N552-G581 VanDerWaalsContact ND2-O 3.1Å; N552-A582 WeakPolarHBondContact OD1-CA 3.08Å; N552-F583 HydrophobicContact CB-CD2 3.76Å; N552-F583 HydrophobicContact CB-CE2 3.8Å; N552-F583 VanDerWaalsContact CG-CE2 3.46Å; N552-F583 WeakPolarHBondContact ND2-CE2 3.44Å; N552-F583 WeakPolarHBondContact OD1-CD2 3.3Å; N552-F583 PolarHBondContact OD1-N 3.28Å
553A87.1Confident87.5Confident9 Ų943.6 Ų43.67%0.07423%0.231CC..  trans-56.3144.8172.300000110.7T527 M530 N550 T560 P561T527-A553 HydrophobicContact CG2-CB 3.93Å; M530-A553 HydrophobicContact CE-CB 3.88Å; M530-A553 WeakPolarHBondContact CE-O 3.48Å; N550-A553 HydrophobicContact CB-CB 4.3Å; N550-A553 WeakPolarHBondContact O-CB 3.34Å; N550-A553 PolarHBondContact O-N 2.86Å; N550-A553 VanDerWaalsContact O-N 3.17Å; N550-A553 PolarHBondContact OD1-N 3.35Å; A553-T560 WeakPolarHBondContact O-CA 3.25Å; A553-P561 VanDerWaalsContact O-CD 3.24Å; A553-P561 WeakPolarHBondContact O-CD 3.48Å
554T86.4Confident87.5Confident50 Ų5043.5 Ų43.531%0.30723%0.23SC..  trans-117.7138.9-179.751.10000112.2K521 L558 W559 T560K521-T554 PolarHBondContact NZ-O 3.33Å; T554-L558 HydrophobicContact CG2-CD2 4.39Å; T554-W559 WeakPolarHBondContact CA-O 3.48Å; T554-T560 HydrophobicContact CG2-CG2 4.11Å
555D86.9Confident87.5Confident8 Ų843.5 Ų43.54%0.04323%0.23CC..  trans-80177.6171-162.68.3000111.1Y525 K526 M530 F557 L558 W559 F564Y525-D555 WeakPolarHBondContact CB-OD1 3.45Å; K526-D555 WeakPolarHBondContact CE-OD2 3.42Å; K526-D555 WeakPolarHBondContact CG-OD2 3.35Å; K526-D555 PolarHBondContact N-OD1 3.08Å; M530-D555 HydrophobicContact CE-CB 4.34Å; M530-D555 HydrophobicContact SD-CB 4.03Å; D555-F557 PolarHBondContact O-N 3.27Å; D555-L558 WeakPolarHBondContact O-CA 3.34Å; D555-L558 PolarHBondContact O-N 3.48Å; D555-W559 HydrophobicContact CB-CB 4.4Å; D555-W559 PolarHBondContact N-O 3.17Å; D555-F564 HydrophobicContact CB-CE2 4.46Å
556N85.9Confident87.4Confident81 Ų8142 Ų4243%0.43322%0.222SC..THydrogen-bonded Turntrans-53.1-26.3172.8-84.2-16.9000113.9Y524 Y525 I589Y524-N556 PolarHBondContact O-ND2 2.95Å; Y525-N556 WeakPolarHBondContact CB-OD1 3.44Å; Y525-N556 VanDerWaalsContact CD2-CG 3.4Å; Y525-N556 WeakPolarHBondContact CD2-ND2 3.45Å; Y525-N556 WeakPolarHBondContact CD2-OD1 3.16Å; Y525-N556 WeakPolarHBondContact CE2-OD1 3.44Å; N556-I589 VanDerWaalsContact O-CD1 3.24Å; N556-I589 WeakPolarHBondContact O-CD1 3.41Å
557F83.6Confident87.2Confident131 Ų13137.2 Ų37.258%0.57520%0.2SC*.THydrogen-bonded Turntrans-94.211.2177.1-59.9-71.9000114.2D555 W559 I589D555-F557 PolarHBondContact O-N 3.27Å; F557-W559 HydrophobicContact CB-CG 4.32Å; F557-W559 PolarHBondContact O-N 3.07Å; F557-I589 PolarHBondContact O-N 2.85Å
558L84.8Confident87Confident81 Ų8133.3 Ų33.342%0.42419%0.188SC..  trans57.527.6-170.3-62170000113.1T554 D555 I589T554-L558 HydrophobicContact CG2-CD2 4.39Å; D555-L558 WeakPolarHBondContact O-CA 3.34Å; D555-L558 PolarHBondContact O-N 3.48Å; L558-I589 HydrophobicContact CB-CG1 4.28Å; L558-I589 HydrophobicContact CD1-CG1 3.84Å; L558-I589 HydrophobicContact CG-CG1 3.97Å
559W88.1Confident86.8Confident45 Ų4531 Ų3117%0.1716%0.164CC..  trans-81.1130174.8-77.221.7000110.1M530 T554 D555 F557 H563 F564 R597M530-W559 WeakPolarHBondContact CE-O 3.42Å; T554-W559 WeakPolarHBondContact CA-O 3.48Å; D555-W559 HydrophobicContact CB-CB 4.4Å; D555-W559 PolarHBondContact N-O 3.17Å; F557-W559 HydrophobicContact CB-CG 4.32Å; F557-W559 PolarHBondContact O-N 3.07Å; W559-H563 HydrophobicContact CB-CB 4.18Å; W559-H563 HydrophobicContact CD2-CB 4.35Å; W559-H563 HydrophobicContact CG-CB 4.2Å; W559-F564 HydrophobicContact CB-CD2 4.27Å; W559-F564 HydrophobicContact CB-CE2 3.63Å; W559-F564 HydrophobicContact CB-CZ 4.05Å; W559-F564 HydrophobicContact CD2-CZ 4.37Å; W559-F564 AromaticContact CE3-CD1 3.8Å; W559-F564 HydrophobicContact CE3-CD1 3.8Å; W559-F564 HydrophobicContact CE3-CD2 4.32Å; W559-F564 AromaticContact CE3-CE1 3.46Å; W559-F564 HydrophobicContact CE3-CE1 3.46Å; W559-F564 VanDerWaalsContact CE3-CE1 3.46Å; W559-F564 HydrophobicContact CE3-CE2 4.02Å; W559-F564 HydrophobicContact CE3-CG 4.23Å; W559-F564 AromaticContact CE3-CZ 3.58Å; W559-F564 HydrophobicContact CE3-CZ 3.58Å; W559-F564 HydrophobicContact CZ3-CD1 4.07Å; W559-F564 AromaticContact CZ3-CE1 3.83Å; W559-F564 HydrophobicContact CZ3-CE1 3.83Å; W559-F564 HydrophobicContact CZ3-CZ 4.39Å; W559-R597 VanDerWaalsContact CZ2-CZ 3.46Å; W559-R597 VanDerWaalsContact CZ2-NH1 3.27Å
560T89.4Confident86.5Confident5 Ų531.7 Ų31.73%0.03117%0.166CC..  trans-88.7160.9171.461.20000110.9A553 T554 L562 H563 F564 A586A553-T560 WeakPolarHBondContact O-CA 3.25Å; T554-T560 HydrophobicContact CG2-CG2 4.11Å; T560-L562 PolarHBondContact O-N 2.97Å; T560-L562 VanDerWaalsContact O-N 3.09Å; T560-H563 PolarHBondContact N-ND1 3.17Å; T560-H563 WeakPolarHBondContact O-CB 3.32Å; T560-H563 PolarHBondContact O-N 3.42Å; T560-H563 PolarHBondContact OG1-ND1 3.32Å; T560-F564 WeakPolarHBondContact O-CD2 3.28Å; T560-F564 PolarHBondContact O-N 3.33Å; T560-A586 HydrophobicContact CG2-CB 3.89Å
561P90.4Very high86.2Confident0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-45.6-37.5168.9-31.234.4000113.7L529 M530 V551 A553 H563 F564 A565 L577L529-P561 HydrophobicContact CD2-CB 4.21Å; L529-P561 HydrophobicContact CD2-CG 3.88Å; L529-P561 HydrophobicContact CG-CB 4.16Å; L529-P561 HydrophobicContact CG-CG 4.09Å; M530-P561 HydrophobicContact CG-CG 3.93Å; V551-P561 VanDerWaalsContact O-CD 3.25Å; V551-P561 WeakPolarHBondContact O-CD 3.46Å; V551-P561 VanDerWaalsContact O-CG 3.31Å; V551-P561 WeakPolarHBondContact O-CG 3.21Å; A553-P561 VanDerWaalsContact O-CD 3.24Å; A553-P561 WeakPolarHBondContact O-CD 3.48Å; P561-H563 PolarHBondContact O-N 2.83Å; P561-F564 PolarHBondContact O-N 3.12Å; P561-A565 PolarHBondContact O-N 3.43Å; P561-L577 HydrophobicContact CB-CD1 4.24Å; P561-L577 HydrophobicContact CB-CD2 4.16Å
562L90.5Very high86.1Confident1 Ų133.2 Ų33.21%0.00517%0.171CC..Hα-helixtrans-63-38.8176.6-170.363.6000112.9T560 F564 A565 C566 V574 L577 V578 A582 P594T560-L562 PolarHBondContact O-N 2.97Å; T560-L562 VanDerWaalsContact O-N 3.09Å; L562-F564 VanDerWaalsContact C-N 3.33Å; L562-F564 PolarHBondContact O-N 3.29Å; L562-A565 PolarHBondContact O-N 3.16Å; L562-C566 WeakPolarHBondContact O-CB 3.18Å; L562-C566 PolarHBondContact O-N 3.11Å; L562-C566 PolarHBondContact O-SG 2.91Å; L562-V574 HydrophobicContact CD1-CB 4.45Å; L562-V574 HydrophobicContact CD1-CG1 3.98Å; L562-V574 HydrophobicContact CD1-CG2 4.39Å; L562-L577 HydrophobicContact CD1-CB 4.26Å; L562-L577 HydrophobicContact CD1-CD1 4.3Å; L562-V578 HydrophobicContact CD1-CG2 4.29Å; L562-A582 HydrophobicContact CB-CB 4.33Å; L562-A582 HydrophobicContact CD2-CB 4.1Å; L562-P594 HydrophobicContact CD2-CB 4.11Å; L562-P594 HydrophobicContact CD2-CG 3.91Å; L562-P594 HydrophobicContact CG-CB 4Å; L562-P594 HydrophobicContact CG-CG 4.11Å
563H88.6Confident86Confident0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-61.9-42.1173.9-73.887000111.7W559 T560 P561 H567 A586 S592W559-H563 HydrophobicContact CB-CB 4.18Å; W559-H563 HydrophobicContact CD2-CB 4.35Å; W559-H563 HydrophobicContact CG-CB 4.2Å; T560-H563 PolarHBondContact N-ND1 3.17Å; T560-H563 WeakPolarHBondContact O-CB 3.32Å; T560-H563 PolarHBondContact O-N 3.42Å; T560-H563 PolarHBondContact OG1-ND1 3.32Å; P561-H563 PolarHBondContact O-N 2.83Å; H563-H567 VanDerWaalsContact O-CB 3.29Å; H563-H567 WeakPolarHBondContact O-CB 3.37Å; H563-H567 PolarHBondContact O-N 3.23Å; H563-A586 PolarHBondContact CE1-O 3.25Å; H563-A586 PolarHBondContact NE2-O 3.35Å; H563-S592 PolarHBondContact NE2-O 3.19Å; H563-S592 VanDerWaalsContact NE2-O 3.11Å
564F87.6Confident86.1Confident15 Ų1531 Ų317%0.06616%0.158CC..Hα-helixtrans-66.3-42.7177.8-73.8-77000111.9M530 C533 A534 D555 W559 T560 P561 L562 H567 A568M530-F564 HydrophobicContact CB-CD2 3.77Å; M530-F564 HydrophobicContact CB-CE2 3.87Å; M530-F564 HydrophobicContact CB-CG 4.46Å; M530-F564 HydrophobicContact CG-CD2 3.84Å; M530-F564 HydrophobicContact CG-CE2 3.83Å; M530-F564 HydrophobicContact SD-CD2 4.46Å; M530-F564 HydrophobicContact SD-CE2 3.86Å; C533-F564 HydrophobicContact CB-CB 4.18Å; A534-F564 HydrophobicContact CB-CB 4.26Å; A534-F564 HydrophobicContact CB-CD1 4.08Å; D555-F564 HydrophobicContact CB-CE2 4.46Å; W559-F564 HydrophobicContact CB-CD2 4.27Å; W559-F564 HydrophobicContact CB-CE2 3.63Å; W559-F564 HydrophobicContact CB-CZ 4.05Å; W559-F564 HydrophobicContact CD2-CZ 4.37Å; W559-F564 AromaticContact CE3-CD1 3.8Å; W559-F564 HydrophobicContact CE3-CD1 3.8Å; W559-F564 HydrophobicContact CE3-CD2 4.32Å; W559-F564 AromaticContact CE3-CE1 3.46Å; W559-F564 HydrophobicContact CE3-CE1 3.46Å; W559-F564 VanDerWaalsContact CE3-CE1 3.46Å; W559-F564 HydrophobicContact CE3-CE2 4.02Å; W559-F564 HydrophobicContact CE3-CG 4.23Å; W559-F564 AromaticContact CE3-CZ 3.58Å; W559-F564 HydrophobicContact CE3-CZ 3.58Å; W559-F564 HydrophobicContact CZ3-CD1 4.07Å; W559-F564 AromaticContact CZ3-CE1 3.83Å; W559-F564 HydrophobicContact CZ3-CE1 3.83Å; W559-F564 HydrophobicContact CZ3-CZ 4.39Å; T560-F564 WeakPolarHBondContact O-CD2 3.28Å; T560-F564 PolarHBondContact O-N 3.33Å; P561-F564 PolarHBondContact O-N 3.12Å; L562-F564 VanDerWaalsContact C-N 3.33Å; L562-F564 PolarHBondContact O-N 3.29Å; F564-H567 PolarHBondContact O-N 3.38Å; F564-A568 WeakPolarHBondContact O-CB 3.48Å; F564-A568 PolarHBondContact O-N 3.45Å
565A87.7Confident86.1Confident0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-63.2-42.9176.400000112.3C533 P561 L562 A568 G569 Q570 I573 V574 L577C533-A565 HydrophobicContact CB-CB 4.15Å; P561-A565 PolarHBondContact O-N 3.43Å; L562-A565 PolarHBondContact O-N 3.16Å; A565-A568 PolarHBondContact O-N 3.44Å; A565-G569 PolarHBondContact O-N 3.03Å; A565-Q570 PolarHBondContact O-N 3.13Å; A565-Q570 VanDerWaalsContact O-N 3.17Å; A565-I573 HydrophobicContact CB-CB 4.37Å; A565-I573 HydrophobicContact CB-CG2 3.81Å; A565-V574 HydrophobicContact CB-CG2 3.8Å; A565-L577 HydrophobicContact CB-CD1 3.84Å
566C87.3Confident86.2Confident0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-66.4-40.3177.7-67.70000112.2L562 G569 P594 R597 A598 S601L562-C566 WeakPolarHBondContact O-CB 3.18Å; L562-C566 PolarHBondContact O-N 3.11Å; L562-C566 PolarHBondContact O-SG 2.91Å; C566-G569 PolarHBondContact O-N 2.89Å; C566-P594 HydrophobicContact CB-CB 4.44Å; C566-P594 WeakPolarHBondContact CB-O 3.43Å; C566-R597 HydrophobicContact CB-CB 4.26Å; C566-A598 HydrophobicContact CB-CB 4.08Å; C566-S601 WeakPolarHBondContact O-CB 3.47Å; C566-S601 PolarHBondContact O-OG 3.31Å
567H84.6Confident86.4Confident54 Ų5428.8 Ų28.825%0.2514%0.143CC..Hα-helixtrans-66-38.5174.9-17566000112.2H563 F564 G569 R597 S601 F759H563-H567 VanDerWaalsContact O-CB 3.29Å; H563-H567 WeakPolarHBondContact O-CB 3.37Å; H563-H567 PolarHBondContact O-N 3.23Å; F564-H567 PolarHBondContact O-N 3.38Å; H567-G569 PolarHBondContact O-N 2.87Å; H567-R597 HydrophobicContact CB-CB 4.38Å; H567-S601 VanDerWaalsContact O-CB 3.24Å; H567-S601 WeakPolarHBondContact O-CB 3.4Å; H567-F759 AromaticContact CE1-CE1 3.39Å; H567-F759 WeakPolarHBondContact CE1-CE1 3.15Å; H567-F759 AromaticContact CE1-CZ 3.48Å; H567-F759 VanDerWaalsContact CE1-CZ 3.48Å; H567-F759 WeakPolarHBondContact CE1-CZ 3.5Å; H567-F759 AromaticContact NE2-CE1 3.64Å
568A80.9Confident86.6Confident25 Ų2523.9 Ų23.921%0.20712%0.123CC..Hα-helixtrans-74.5-13.5174.600000113.4F564 A565 Q570F564-A568 WeakPolarHBondContact O-CB 3.48Å; F564-A568 PolarHBondContact O-N 3.45Å; A565-A568 PolarHBondContact O-N 3.44Å; A568-Q570 HydrophobicContact CB-CG 3.91Å; A568-Q570 PolarHBondContact O-NE2 3.25Å
569G78.8Confident86.8Confident8 Ų827 Ų278%0.08214%0.136CC..THydrogen-bonded Turntrans73.926.117700000114.6A565 C566 H567A565-G569 PolarHBondContact O-N 3.03Å; C566-G569 PolarHBondContact O-N 2.89Å; H567-G569 PolarHBondContact O-N 2.87Å
570Q81.8Confident86.7Confident21 Ų2127.5 Ų27.510%0.09815%0.146CC..  trans-95.792.8-172.8-58.5-62.5-39.300111.2A565 A568 D572 I573 V574A565-Q570 PolarHBondContact O-N 3.13Å; A565-Q570 VanDerWaalsContact O-N 3.17Å; A568-Q570 HydrophobicContact CB-CG 3.91Å; A568-Q570 PolarHBondContact O-NE2 3.25Å; Q570-D572 PolarHBondContact O-N 3.48Å; Q570-I573 HydrophobicContact CB-CB 4.11Å; Q570-I573 HydrophobicContact CB-CD1 3.92Å; Q570-I573 HydrophobicContact CB-CG1 4.14Å; Q570-I573 HydrophobicContact CG-CD1 4.27Å; Q570-I573 PolarHBondContact O-N 3.02Å; Q570-V574 WeakPolarHBondContact O-CG2 3.41Å; Q570-V574 PolarHBondContact O-N 2.85Å; Q570-V574 VanDerWaalsContact O-N 3.11Å
571Q82.9Confident86.5Confident57 Ų5729.3 Ų29.327%0.26617%0.166SC..Hα-helixtrans-58.8-49.7-175.8-176.7-178.1-14.600113.2I573 V574 E575 T606Q571-I573 PolarHBondContact O-N 2.96Å; Q571-I573 VanDerWaalsContact O-N 3.11Å; Q571-V574 CarbonylContact O-C 3.59Å; Q571-V574 WeakPolarHBondContact O-CA 3.38Å; Q571-V574 WeakPolarHBondContact O-CB 3.49Å; Q571-V574 PolarHBondContact O-N 3.15Å; Q571-E575 HydrophobicContact CG-CG 4.4Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.27Å; Q571-E575 PolarHBondContact NE2-OE1 3.08Å; Q571-E575 PolarHBondContact O-N 2.89Å; Q571-T606 HydrophobicContact CB-CG2 3.78Å
572D85.3Confident86.4Confident69 Ų6929.8 Ų29.837%0.36917%0.169SC..Hα-helixtrans-54.5-35.5-179.5-53.13.2000112.5I538 Q570 L576 R745I538-D572 HydrophobicContact CD1-CB 3.41Å; I538-D572 VanDerWaalsContact CD1-CB 3.41Å; I538-D572 WeakPolarHBondContact CD1-OD2 3.24Å; Q570-D572 PolarHBondContact O-N 3.48Å; D572-L576 WeakPolarHBondContact O-CD1 3.33Å; D572-L576 VanDerWaalsContact O-CG 3.24Å; D572-L576 WeakPolarHBondContact O-CG 3.34Å; D572-L576 PolarHBondContact O-N 3.37Å; D572-L576 VanDerWaalsContact O-N 3.16Å; D572-R745 IonicContact OD2-CZ 3.81Å; D572-R745 IonicContact OD2-NE 3.19Å; D572-R745 IonicContact OD2-NH2 2.71Å; D572-R745 PolarHBondContact OD2-NH2 2.86Å
573I87.2Confident86.2Confident0 Ų036.1 Ų36.10%020%0.197CC..Hα-helixtrans-76.3-38.1177.9-62.4178.2000110.7C533 I538 V541 A565 Q570 Q571 E575 L576 L577C533-I573 HydrophobicContact CB-CG2 4.3Å; I538-I573 HydrophobicContact CD1-CG1 4.28Å; I538-I573 HydrophobicContact CG1-CD1 4.05Å; I538-I573 HydrophobicContact CG1-CG1 3.73Å; V541-I573 HydrophobicContact CG1-CG2 4.35Å; V541-I573 HydrophobicContact CG2-CD1 4.3Å; V541-I573 HydrophobicContact CG2-CG2 4.15Å; A565-I573 HydrophobicContact CB-CB 4.37Å; A565-I573 HydrophobicContact CB-CG2 3.81Å; Q570-I573 HydrophobicContact CB-CB 4.11Å; Q570-I573 HydrophobicContact CB-CD1 3.92Å; Q570-I573 HydrophobicContact CB-CG1 4.14Å; Q570-I573 HydrophobicContact CG-CD1 4.27Å; Q570-I573 PolarHBondContact O-N 3.02Å; Q571-I573 PolarHBondContact O-N 2.96Å; Q571-I573 VanDerWaalsContact O-N 3.11Å; I573-E575 VanDerWaalsContact C-N 3.33Å; I573-L576 PolarHBondContact O-N 3.17Å; I573-L577 HydrophobicContact CG2-CD1 3.89Å; I573-L577 HydrophobicContact CG2-CG 4.19Å; I573-L577 WeakPolarHBondContact O-CB 3.22Å; I573-L577 WeakPolarHBondContact O-CG 3.5Å; I573-L577 PolarHBondContact O-N 3.39Å
574V88.1Confident86Confident0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-61.3-44.3174.9171.60000110.2L562 A565 Q570 Q571 L577 V578 Y609 L610L562-V574 HydrophobicContact CD1-CB 4.45Å; L562-V574 HydrophobicContact CD1-CG1 3.98Å; L562-V574 HydrophobicContact CD1-CG2 4.39Å; A565-V574 HydrophobicContact CB-CG2 3.8Å; Q570-V574 WeakPolarHBondContact O-CG2 3.41Å; Q570-V574 PolarHBondContact O-N 2.85Å; Q570-V574 VanDerWaalsContact O-N 3.11Å; Q571-V574 CarbonylContact O-C 3.59Å; Q571-V574 WeakPolarHBondContact O-CA 3.38Å; Q571-V574 WeakPolarHBondContact O-CB 3.49Å; Q571-V574 PolarHBondContact O-N 3.15Å; V574-L577 PolarHBondContact O-N 3Å; V574-V578 VanDerWaalsContact O-CG2 3.27Å; V574-V578 WeakPolarHBondContact O-CG2 3.5Å; V574-V578 PolarHBondContact O-N 3.24Å; V574-Y609 HydrophobicContact CG1-CD1 3.9Å; V574-Y609 HydrophobicContact CG1-CE1 4.07Å; V574-L610 HydrophobicContact CG1-CD2 4Å; V574-L610 HydrophobicContact CG1-CG 4.41Å
575E88.3Confident85.8Confident58 Ų5839.9 Ų39.927%0.27122%0.218SC..Hα-helixtrans-56.2-55.6173.7-75.1174.7-168.200111.2Q571 I573 L577 V578 E579 Y609Q571-E575 HydrophobicContact CG-CG 4.4Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.27Å; Q571-E575 PolarHBondContact NE2-OE1 3.08Å; Q571-E575 PolarHBondContact O-N 2.89Å; I573-E575 VanDerWaalsContact C-N 3.33Å; E575-L577 VanDerWaalsContact C-N 3.33Å; E575-L577 PolarHBondContact O-N 3.17Å; E575-V578 PolarHBondContact O-N 3.11Å; E575-E579 WeakPolarHBondContact O-CG 3.45Å; E575-E579 PolarHBondContact O-N 3.47Å; E575-Y609 HydrophobicContact CB-CE1 4.23Å; E575-Y609 HydrophobicContact CG-CD1 4.01Å; E575-Y609 HydrophobicContact CG-CD2 4.26Å; E575-Y609 HydrophobicContact CG-CE1 3.46Å; E575-Y609 VanDerWaalsContact CG-CE1 3.46Å; E575-Y609 HydrophobicContact CG-CE2 3.77Å; E575-Y609 HydrophobicContact CG-CG 4.38Å
576L89.1Confident85.6Confident35 Ų3540.6 Ų40.618%0.18322%0.224CC..Hα-helixtrans-59-39.3179.9-73.8166.6000113.6I538 K542 D572 I573 S580I538-L576 HydrophobicContact CG2-CD1 3.65Å; K542-L576 HydrophobicContact CG-CD1 4.19Å; D572-L576 WeakPolarHBondContact O-CD1 3.33Å; D572-L576 VanDerWaalsContact O-CG 3.24Å; D572-L576 WeakPolarHBondContact O-CG 3.34Å; D572-L576 PolarHBondContact O-N 3.37Å; D572-L576 VanDerWaalsContact O-N 3.16Å; I573-L576 PolarHBondContact O-N 3.17Å; L576-S580 WeakPolarHBondContact O-CB 3.44Å; L576-S580 PolarHBondContact O-N 3.18Å; L576-S580 PolarHBondContact O-OG 2.78Å
577L89.1Confident85.5Confident0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-69.4-39.8178.2-72.7172000111.8L529 V551 P561 L562 A565 I573 V574 E575 S580 G581 A582L529-L577 HydrophobicContact CD2-CD2 4.48Å; V551-L577 HydrophobicContact CG1-CB 4.5Å; V551-L577 HydrophobicContact CG1-CD2 3.88Å; P561-L577 HydrophobicContact CB-CD1 4.24Å; P561-L577 HydrophobicContact CB-CD2 4.16Å; L562-L577 HydrophobicContact CD1-CB 4.26Å; L562-L577 HydrophobicContact CD1-CD1 4.3Å; A565-L577 HydrophobicContact CB-CD1 3.84Å; I573-L577 HydrophobicContact CG2-CD1 3.89Å; I573-L577 HydrophobicContact CG2-CG 4.19Å; I573-L577 WeakPolarHBondContact O-CB 3.22Å; I573-L577 WeakPolarHBondContact O-CG 3.5Å; I573-L577 PolarHBondContact O-N 3.39Å; V574-L577 PolarHBondContact O-N 3Å; E575-L577 VanDerWaalsContact C-N 3.33Å; E575-L577 PolarHBondContact O-N 3.17Å; L577-S580 CarbonylContact O-C 3.6Å; L577-S580 PolarHBondContact O-N 3.48Å; L577-G581 PolarHBondContact O-N 3.13Å; L577-A582 HydrophobicContact CB-CB 4.12Å; L577-A582 WeakPolarHBondContact O-CB 3.46Å; L577-A582 PolarHBondContact O-N 3.43Å
578V88.6Confident85.6Confident27 Ų2741.9 Ų41.916%0.16424%0.235CC..Hα-helixtrans-66.2-44177171.90000110.5L562 V574 E575 S580 G581 I584 I613L562-V578 HydrophobicContact CD1-CG2 4.29Å; V574-V578 VanDerWaalsContact O-CG2 3.27Å; V574-V578 WeakPolarHBondContact O-CG2 3.5Å; V574-V578 PolarHBondContact O-N 3.24Å; E575-V578 PolarHBondContact O-N 3.11Å; V578-S580 PolarHBondContact O-N 2.9Å; V578-G581 PolarHBondContact O-N 3.27Å; V578-I584 HydrophobicContact CG2-CG1 4.41Å; V578-I613 HydrophobicContact CG1-CD1 4.02Å; V578-I613 HydrophobicContact CG1-CG2 4.44Å; V578-I613 HydrophobicContact CG2-CD1 4.34Å
579E88.3Confident85.7Confident148 Ų14843.2 Ų43.269%0.69224%0.238SC*.Hα-helixtrans-58.3-34.2172.9-71.9178.417100112.2E575 G581E575-E579 WeakPolarHBondContact O-CG 3.45Å; E575-E579 PolarHBondContact O-N 3.47Å; E579-G581 VanDerWaalsContact C-N 3.25Å; E579-G581 PolarHBondContact O-N 3.33Å
580S85.6Confident85.8Confident54 Ų5446.8 Ų46.838%0.37826%0.255SS..THydrogen-bonded Turntrans-83.17.6177.8-54.70000114L576 L577 V578L576-S580 WeakPolarHBondContact O-CB 3.44Å; L576-S580 PolarHBondContact O-N 3.18Å; L576-S580 PolarHBondContact O-OG 2.78Å; L577-S580 CarbonylContact O-C 3.6Å; L577-S580 PolarHBondContact O-N 3.48Å; V578-S580 PolarHBondContact O-N 2.9Å
581G85.3Confident85.8Confident44 Ų4449.2 Ų49.245%0.45427%0.269SS..THydrogen-bonded Turntrans8928.3173.900000115.7N552 L577 V578 E579N552-G581 PolarHBondContact ND2-O 3.45Å; N552-G581 VanDerWaalsContact ND2-O 3.1Å; L577-G581 PolarHBondContact O-N 3.13Å; V578-G581 PolarHBondContact O-N 3.27Å; E579-G581 VanDerWaalsContact C-N 3.25Å; E579-G581 PolarHBondContact O-N 3.33Å
582A88.7Confident85.8Confident9 Ų946.6 Ų46.67%0.07426%0.257CS..  trans-65.7138.4173.600000112.6V551 N552 L562 L577 I584V551-A582 HydrophobicContact CG1-CB 3.68Å; N552-A582 WeakPolarHBondContact OD1-CA 3.08Å; L562-A582 HydrophobicContact CB-CB 4.33Å; L562-A582 HydrophobicContact CD2-CB 4.1Å; L577-A582 HydrophobicContact CB-CB 4.12Å; L577-A582 WeakPolarHBondContact O-CB 3.46Å; L577-A582 PolarHBondContact O-N 3.43Å; A582-I584 PolarHBondContact O-N 3.07Å
583F85.4Confident85.9Confident135 Ų13543.4 Ų43.459%0.59224%0.24SC*.  trans-72.2110172.9-63.1-53.1000111.4N552 D585 A586N552-F583 HydrophobicContact CB-CD2 3.76Å; N552-F583 HydrophobicContact CB-CE2 3.8Å; N552-F583 VanDerWaalsContact CG-CE2 3.46Å; N552-F583 WeakPolarHBondContact ND2-CE2 3.44Å; N552-F583 WeakPolarHBondContact OD1-CD2 3.3Å; N552-F583 PolarHBondContact OD1-N 3.28Å; F583-D585 PolarHBondContact O-N 3.08Å; F583-A586 HydrophobicContact CB-CB 4.16Å; F583-A586 WeakPolarHBondContact O-CB 3.49Å; F583-A586 PolarHBondContact O-N 2.94Å
584I84.8Confident85.8Confident43 Ų4343.4 Ų43.422%0.22124%0.24CC..THydrogen-bonded Turntrans-63.9-39.2-176.5-60.4153.3000112.1V578 A582 P594 I613 A615V578-I584 HydrophobicContact CG2-CG1 4.41Å; A582-I584 PolarHBondContact O-N 3.07Å; I584-P594 VanDerWaalsContact O-CD 3.24Å; I584-P594 WeakPolarHBondContact O-CD 3.33Å; I584-P594 VanDerWaalsContact O-CG 3.31Å; I584-P594 WeakPolarHBondContact O-CG 3.45Å; I584-I613 HydrophobicContact CD1-CG2 3.48Å; I584-I613 VanDerWaalsContact CD1-CG2 3.48Å; I584-I613 HydrophobicContact CG1-CG2 4.48Å; I584-A615 HydrophobicContact CG2-CB 3.58Å
585D83.6Confident85.7Confident50 Ų5043.5 Ų43.527%0.26724%0.241SC..THydrogen-bonded Turntrans-99.125.6-177.8-64.8-31.7000112.9F583 V587 K616 L619F583-D585 PolarHBondContact O-N 3.08Å; D585-V587 PolarHBondContact O-N 2.69Å; D585-K616 PolarHBondContact OD1-N 3.05Å; D585-K616 WeakPolarHBondContact OD2-CD 3.28Å; D585-K616 VanDerWaalsContact OD2-CE 3.23Å; D585-K616 WeakPolarHBondContact OD2-CE 3.41Å; D585-K616 VanDerWaalsContact OD2-CG 3.28Å; D585-K616 WeakPolarHBondContact OD2-CG 3.31Å; D585-K616 IonicContact OD2-NZ 3.16Å; D585-L619 HydrophobicContact CB-CD1 4.42Å
586A84.7Confident85.6Confident16 Ų1640.8 Ų40.813%0.13223%0.228CC..  trans-58.8135178.100000110.9T560 H563 F583 P594T560-A586 HydrophobicContact CG2-CB 3.89Å; H563-A586 PolarHBondContact CE1-O 3.25Å; H563-A586 PolarHBondContact NE2-O 3.35Å; F583-A586 HydrophobicContact CB-CB 4.16Å; F583-A586 WeakPolarHBondContact O-CB 3.49Å; F583-A586 PolarHBondContact O-N 2.94Å; A586-P594 WeakPolarHBondContact O-CD 3.44Å
587V84.8Confident85.4Confident77 Ų7740.3 Ų40.347%0.46722%0.224SC..  trans-101.7128.2-179.7-69.70000111D585D585-V587 PolarHBondContact O-N 2.69Å
588S85.6Confident85.2Confident3 Ų340.3 Ų40.32%0.02122%0.224CC..  trans-75.1176.7168.672.30000111.9N590 N591 S592S588-N590 PolarHBondContact O-N 2.78Å; S588-N590 VanDerWaalsContact O-N 3.08Å; S588-N590 PolarHBondContact OG-N 3.09Å; S588-N591 WeakPolarHBondContact O-CA 3.35Å; S588-N591 PolarHBondContact O-N 3.35Å; S588-S592 PolarHBondContact N-O 3.08Å; S588-S592 VanDerWaalsContact N-O 3.08Å; S588-S592 PolarHBondContact OG-N 2.89Å; S588-S592 PolarHBondContact OG-O 3.27Å; S588-S592 PolarHBondContact OG-OG 3.45Å
589I84.6Confident85Confident53 Ų5339.1 Ų39.127%0.27222%0.217SC..THydrogen-bonded Turntrans-49.8-37.8171.1-72.8-175.5000111.4N556 F557 L558 N591 R622N556-I589 VanDerWaalsContact O-CD1 3.24Å; N556-I589 WeakPolarHBondContact O-CD1 3.41Å; F557-I589 PolarHBondContact O-N 2.85Å; L558-I589 HydrophobicContact CB-CG1 4.28Å; L558-I589 HydrophobicContact CD1-CG1 3.84Å; L558-I589 HydrophobicContact CG-CG1 3.97Å; I589-N591 PolarHBondContact O-N 2.71Å; I589-R622 PolarHBondContact O-NE 3.17Å; I589-R622 PolarHBondContact O-NH2 3.19Å
590N79.9Confident84.6Confident83 Ų8333.4 Ų33.444%0.44419%0.19SC..THydrogen-bonded Turntrans-83.412.7-178.5-69.3-16.5000114.4S588 S592 R622S588-N590 PolarHBondContact O-N 2.78Å; S588-N590 VanDerWaalsContact O-N 3.08Å; S588-N590 PolarHBondContact OG-N 3.09Å; N590-S592 PolarHBondContact O-N 2.88Å; N590-S592 VanDerWaalsContact O-N 3.16Å; N590-R622 PolarHBondContact O-N 2.69Å
591N82.6Confident84.1Confident72 Ų7231.2 Ų31.239%0.38518%0.175SC..  trans56.417.3-168-61.3-10.7000113.5S588 I589 N621S588-N591 WeakPolarHBondContact O-CA 3.35Å; S588-N591 PolarHBondContact O-N 3.35Å; I589-N591 PolarHBondContact O-N 2.71Å; N591-N621 PolarHBondContact O-OD1 3.07Å
592S82.6Confident83.6Confident2 Ų230.3 Ų30.31%0.01416%0.161CC..  trans-78.5132.2175.776.80000111.2H563 S588 N590 R597 N621H563-S592 PolarHBondContact NE2-O 3.19Å; H563-S592 VanDerWaalsContact NE2-O 3.11Å; S588-S592 PolarHBondContact N-O 3.08Å; S588-S592 VanDerWaalsContact N-O 3.08Å; S588-S592 PolarHBondContact OG-N 2.89Å; S588-S592 PolarHBondContact OG-O 3.27Å; S588-S592 PolarHBondContact OG-OG 3.45Å; N590-S592 PolarHBondContact O-N 2.88Å; N590-S592 VanDerWaalsContact O-N 3.16Å; S592-R597 PolarHBondContact OG-NE 3.29Å; S592-R597 PolarHBondContact OG-NH2 3.49Å; S592-N621 WeakPolarHBondContact CA-OD1 3.44Å; S592-N621 PolarHBondContact N-OD1 3.49Å
593T86.8Confident83Confident2 Ų234.2 Ų34.21%0.01217%0.174CC..  trans-84.5163.9173.159.50000111.8L595 N596 R597 L619T593-L595 PolarHBondContact O-N 2.58Å; T593-N596 WeakPolarHBondContact O-CB 3.32Å; T593-N596 PolarHBondContact O-N 2.86Å; T593-N596 VanDerWaalsContact O-N 3.1Å; T593-N596 PolarHBondContact OG1-N 2.91Å; T593-R597 PolarHBondContact O-N 3.29Å; T593-L619 HydrophobicContact CG2-CB 4.12Å; T593-L619 HydrophobicContact CG2-CD1 3.63Å
594P86.3Confident82.7Confident0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-55.8-36170.9-26.234.9000112.8L562 C566 I584 A586 N596 R597 A598L562-P594 HydrophobicContact CD2-CB 4.11Å; L562-P594 HydrophobicContact CD2-CG 3.91Å; L562-P594 HydrophobicContact CG-CB 4Å; L562-P594 HydrophobicContact CG-CG 4.11Å; C566-P594 HydrophobicContact CB-CB 4.44Å; C566-P594 WeakPolarHBondContact CB-O 3.43Å; I584-P594 VanDerWaalsContact O-CD 3.24Å; I584-P594 WeakPolarHBondContact O-CD 3.33Å; I584-P594 VanDerWaalsContact O-CG 3.31Å; I584-P594 WeakPolarHBondContact O-CG 3.45Å; A586-P594 WeakPolarHBondContact O-CD 3.44Å; P594-N596 PolarHBondContact O-N 3.01Å; P594-R597 CarbonylContact O-C 3.5Å; P594-R597 WeakPolarHBondContact O-CA 3.44Å; P594-R597 WeakPolarHBondContact O-CB 3.34Å; P594-R597 PolarHBondContact O-N 3.26Å; P594-R597 VanDerWaalsContact O-N 3.07Å; P594-A598 PolarHBondContact O-N 3.06Å
595L86.1Confident82.6Confident2 Ų231.8 Ų31.81%0.0117%0.167CC..Hα-helixtrans-59.3-44.8174.4-178.265.7000111.7T593 R597 A598 I599 V607 L610 L611 A615 F617 A627T593-L595 PolarHBondContact O-N 2.58Å; L595-R597 PolarHBondContact O-N 2.87Å; L595-A598 PolarHBondContact O-N 3.3Å; L595-A598 VanDerWaalsContact O-N 3.16Å; L595-I599 HydrophobicContact CG-CD1 4.21Å; L595-I599 VanDerWaalsContact O-CG1 3.32Å; L595-I599 WeakPolarHBondContact O-CG1 3.34Å; L595-I599 PolarHBondContact O-N 2.92Å; L595-V607 HydrophobicContact CD1-CG1 4.2Å; L595-L610 HydrophobicContact CB-CD1 4.5Å; L595-L610 HydrophobicContact CD1-CB 3.91Å; L595-L610 HydrophobicContact CD1-CD1 4.22Å; L595-L611 HydrophobicContact CD1-CD2 4.39Å; L595-L611 HydrophobicContact CD1-CG 4.3Å; L595-L611 HydrophobicContact CD2-CD2 4.04Å; L595-A615 HydrophobicContact CB-CB 4.43Å; L595-A615 HydrophobicContact CD2-CB 4.3Å; L595-F617 HydrophobicContact CD2-CB 3.64Å; L595-A627 HydrophobicContact CD2-CB 4.38Å
596N85.3Confident82.5Confident1 Ų129.5 Ų29.51%0.00516%0.155CC..Hα-helixtrans-59.6-35176-70.5-18.6000111.4T593 P594 I599 E600 N621 A627T593-N596 WeakPolarHBondContact O-CB 3.32Å; T593-N596 PolarHBondContact O-N 2.86Å; T593-N596 VanDerWaalsContact O-N 3.1Å; T593-N596 PolarHBondContact OG1-N 2.91Å; P594-N596 PolarHBondContact O-N 3.01Å; N596-I599 PolarHBondContact O-N 3.13Å; N596-E600 WeakPolarHBondContact O-CG 3.5Å; N596-E600 PolarHBondContact O-N 3.06Å; N596-E600 VanDerWaalsContact O-N 3.08Å; N596-N621 PolarHBondContact ND2-ND2 3.31Å; N596-N621 PolarHBondContact ND2-OD1 2.91Å; N596-A627 WeakPolarHBondContact OD1-CA 3.29Å; N596-A627 WeakPolarHBondContact OD1-CB 3.38Å
597R85.7Confident82.5Confident26 Ų2628.7 Ų28.710%0.09815%0.149CC..Hα-helixtrans-75.6-32.4176.3-56.6-52.7177.9140.42.7114.1W559 C566 H567 S592 T593 P594 L595 I599 E600 S601W559-R597 VanDerWaalsContact CZ2-CZ 3.46Å; W559-R597 VanDerWaalsContact CZ2-NH1 3.27Å; C566-R597 HydrophobicContact CB-CB 4.26Å; H567-R597 HydrophobicContact CB-CB 4.38Å; S592-R597 PolarHBondContact OG-NE 3.29Å; S592-R597 PolarHBondContact OG-NH2 3.49Å; T593-R597 PolarHBondContact O-N 3.29Å; P594-R597 CarbonylContact O-C 3.5Å; P594-R597 WeakPolarHBondContact O-CA 3.44Å; P594-R597 WeakPolarHBondContact O-CB 3.34Å; P594-R597 PolarHBondContact O-N 3.26Å; P594-R597 VanDerWaalsContact O-N 3.07Å; L595-R597 PolarHBondContact O-N 2.87Å; R597-I599 VanDerWaalsContact C-N 3.31Å; R597-E600 WeakPolarHBondContact CD-OE2 3.43Å; R597-E600 IonicContact CZ-OE2 3.61Å; R597-E600 IonicContact NE-OE2 3.4Å; R597-E600 IonicContact NH1-OE1 3.78Å; R597-E600 IonicContact NH1-OE2 3.97Å; R597-E600 PolarHBondContact NH1-OE2 3.43Å; R597-E600 VanDerWaalsContact NH1-OE2 3.14Å; R597-E600 WeakPolarHBondContact O-CB 3.31Å; R597-E600 PolarHBondContact O-N 3.3Å; R597-S601 PolarHBondContact O-N 2.92Å; R597-S601 VanDerWaalsContact O-N 3.07Å
598A84.5Confident82.5Confident0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-66.4-35.7171.700000111.6C566 P594 L595 S601 C602 V607 L610C566-A598 HydrophobicContact CB-CB 4.08Å; P594-A598 PolarHBondContact O-N 3.06Å; L595-A598 PolarHBondContact O-N 3.3Å; L595-A598 VanDerWaalsContact O-N 3.16Å; A598-S601 PolarHBondContact O-N 3.05Å; A598-S601 PolarHBondContact O-OG 3.22Å; A598-C602 PolarHBondContact O-N 3.49Å; A598-V607 HydrophobicContact CB-CG2 3.76Å; A598-L610 HydrophobicContact CB-CD1 3.76Å
599I83.1Confident82.5Confident2 Ų232.8 Ų32.81%0.0116%0.159CC..Hα-helixtrans-67.8-42.5173.7-64.4168.1000110.5L595 N596 R597 S601 C602 V607 A627 V630 A631 I639 I643L595-I599 HydrophobicContact CG-CD1 4.21Å; L595-I599 VanDerWaalsContact O-CG1 3.32Å; L595-I599 WeakPolarHBondContact O-CG1 3.34Å; L595-I599 PolarHBondContact O-N 2.92Å; N596-I599 PolarHBondContact O-N 3.13Å; R597-I599 VanDerWaalsContact C-N 3.31Å; I599-S601 PolarHBondContact O-N 3.2Å; I599-C602 PolarHBondContact O-N 3.3Å; I599-C602 VanDerWaalsContact O-N 3.1Å; I599-V607 HydrophobicContact CG1-CG1 4.35Å; I599-V607 HydrophobicContact CG1-CG2 3.98Å; I599-A627 HydrophobicContact CD1-CB 3.79Å; I599-V630 HydrophobicContact CG2-CG1 4.07Å; I599-A631 HydrophobicContact CG2-CB 3.76Å; I599-I639 HydrophobicContact CG1-CG2 4.09Å; I599-I639 HydrophobicContact CG2-CG2 4.28Å; I599-I643 HydrophobicContact CD1-CD1 3.79Å
600E80.8Confident82.5Confident28 Ų2830.3 Ų30.313%0.13115%0.146CC..Hα-helixtrans-56.4-39.4173-71.6176176.400111.7N596 R597 C602 V630 Y634 F759N596-E600 WeakPolarHBondContact O-CG 3.5Å; N596-E600 PolarHBondContact O-N 3.06Å; N596-E600 VanDerWaalsContact O-N 3.08Å; R597-E600 WeakPolarHBondContact CD-OE2 3.43Å; R597-E600 IonicContact CZ-OE2 3.61Å; R597-E600 IonicContact NE-OE2 3.4Å; R597-E600 IonicContact NH1-OE1 3.78Å; R597-E600 IonicContact NH1-OE2 3.97Å; R597-E600 PolarHBondContact NH1-OE2 3.43Å; R597-E600 VanDerWaalsContact NH1-OE2 3.14Å; R597-E600 WeakPolarHBondContact O-CB 3.31Å; R597-E600 PolarHBondContact O-N 3.3Å; E600-C602 PolarHBondContact O-N 3.47Å; E600-V630 HydrophobicContact CG-CG1 4.39Å; E600-Y634 HydrophobicContact CB-CE2 4.41Å; E600-Y634 HydrophobicContact CG-CD2 4.41Å; E600-Y634 HydrophobicContact CG-CE2 3.63Å; E600-F759 VanDerWaalsContact O-CE2 3.29Å; E600-F759 WeakPolarHBondContact O-CE2 3.19Å
601S74.9Confident82.7Confident8 Ų827.1 Ų27.16%0.05613%0.129CC..THydrogen-bonded Turntrans-75.4-6-179.7700000114.8C566 H567 R597 A598 I599 R603C566-S601 WeakPolarHBondContact O-CB 3.47Å; C566-S601 PolarHBondContact O-OG 3.31Å; H567-S601 VanDerWaalsContact O-CB 3.24Å; H567-S601 WeakPolarHBondContact O-CB 3.4Å; R597-S601 PolarHBondContact O-N 2.92Å; R597-S601 VanDerWaalsContact O-N 3.07Å; A598-S601 PolarHBondContact O-N 3.05Å; A598-S601 PolarHBondContact O-OG 3.22Å; I599-S601 PolarHBondContact O-N 3.2Å; S601-R603 PolarHBondContact O-N 2.65Å
602C75.2Confident82.7Confident25 Ų2528 Ų2817%0.16913%0.133CC..THydrogen-bonded Turntrans54.331.5178.5-56.30000113.8A598 I599 E600A598-C602 PolarHBondContact O-N 3.49Å; I599-C602 PolarHBondContact O-N 3.3Å; I599-C602 VanDerWaalsContact O-N 3.1Å; E600-C602 PolarHBondContact O-N 3.47Å
603R75.6Confident82.7Confident90 Ų9030.8 Ų30.834%0.3415%0.147SC..  trans-99.8114176.8-65.3-59.1-66-156.4-2.7109.8S601 D605 T606 V607S601-R603 PolarHBondContact O-N 2.65Å; R603-D605 PolarHBondContact O-N 3.32Å; R603-T606 HydrophobicContact CB-CG2 4.33Å; R603-T606 WeakPolarHBondContact CB-OG1 2.81Å; R603-T606 PolarHBondContact O-OG1 3Å; R603-V607 WeakPolarHBondContact O-CG2 3.47Å; R603-V607 PolarHBondContact O-N 3.16Å
604L80Confident82.4Confident42 Ų4233.1 Ų33.122%0.2217%0.172CC..Hα-helixtrans-64.4-42.2-175-57.6174000112.2V607 K608 R638 I639 M642L604-V607 PolarHBondContact O-N 3.05Å; L604-K608 WeakPolarHBondContact O-CB 3.37Å; L604-K608 PolarHBondContact O-N 3.13Å; L604-R638 HydrophobicContact CD1-CB 4.18Å; L604-R638 VanDerWaalsContact CD1-CD 3.44Å; L604-R638 HydrophobicContact CD1-CG 4.46Å; L604-R638 HydrophobicContact CD2-CB 3.52Å; L604-R638 HydrophobicContact CD2-CG 4.49Å; L604-I639 HydrophobicContact CD2-CD1 4.25Å; L604-I639 HydrophobicContact CD2-CG1 3.48Å; L604-I639 VanDerWaalsContact CD2-CG1 3.48Å; L604-M642 HydrophobicContact CD2-SD 4.45Å
605D81.6Confident82.2Confident85 Ų8533.3 Ų33.346%0.45517%0.174SC..Hα-helixtrans-70.7-38.2-170.7-44.9-50.8000111.7R603 K608 Y609R603-D605 PolarHBondContact O-N 3.32Å; D605-K608 PolarHBondContact O-N 3.36Å; D605-Y609 WeakPolarHBondContact O-CB 3.48Å; D605-Y609 PolarHBondContact O-N 2.89Å
606T82.8Confident81.9Confident2 Ų239 Ų391%0.01220%0.199CC..Hα-helixtrans-66.8-40.4174.155.60000112.1Q571 R603 L610Q571-T606 HydrophobicContact CB-CG2 3.78Å; R603-T606 HydrophobicContact CB-CG2 4.33Å; R603-T606 WeakPolarHBondContact CB-OG1 2.81Å; R603-T606 PolarHBondContact O-OG1 3Å; T606-L610 WeakPolarHBondContact O-CG 3.5Å; T606-L610 PolarHBondContact O-N 3.42Å
607V84.1Confident81.4Confident0 Ų040.8 Ų40.80%021%0.206CC..Hα-helixtrans-67.1-42.3176.7174.20000110.7L595 A598 I599 R603 L604 L610 L611 I639L595-V607 HydrophobicContact CD1-CG1 4.2Å; A598-V607 HydrophobicContact CB-CG2 3.76Å; I599-V607 HydrophobicContact CG1-CG1 4.35Å; I599-V607 HydrophobicContact CG1-CG2 3.98Å; R603-V607 WeakPolarHBondContact O-CG2 3.47Å; R603-V607 PolarHBondContact O-N 3.16Å; L604-V607 PolarHBondContact O-N 3.05Å; V607-L610 PolarHBondContact O-N 2.84Å; V607-L611 HydrophobicContact CG1-CD1 3.95Å; V607-L611 HydrophobicContact CG1-CG 4.46Å; V607-L611 WeakPolarHBondContact O-CB 3.3Å; V607-L611 VanDerWaalsContact O-CG 3.28Å; V607-L611 WeakPolarHBondContact O-CG 3.4Å; V607-L611 PolarHBondContact O-N 3.38Å; V607-I639 HydrophobicContact CG1-CG2 4.15Å; V607-I639 HydrophobicContact CG2-CD1 4.32Å
608K84.2Confident80.8Confident117 Ų11746 Ų4651%0.50923%0.232SC..Hα-helixtrans-57.9-50.7175.2-165.6175.6177.4-177.30110.9L604 D605 L610 L611 D612 M642L604-K608 WeakPolarHBondContact O-CB 3.37Å; L604-K608 PolarHBondContact O-N 3.13Å; D605-K608 PolarHBondContact O-N 3.36Å; K608-L610 PolarHBondContact O-N 2.88Å; K608-L611 PolarHBondContact O-N 3.02Å; K608-D612 PolarHBondContact O-N 3.4Å; K608-M642 HydrophobicContact CB-CE 3.45Å; K608-M642 VanDerWaalsContact CB-CE 3.45Å; K608-M642 HydrophobicContact CD-CE 4.38Å; K608-M642 HydrophobicContact CG-CE 3.81Å
609Y85.8Confident80.4Confident49 Ų4948.9 Ų48.919%0.19225%0.247CC..Hα-helixtrans-59.5-47.8-179.3-177.8-111.2000112.3V574 E575 D605 L611 D612 I613V574-Y609 HydrophobicContact CG1-CD1 3.9Å; V574-Y609 HydrophobicContact CG1-CE1 4.07Å; E575-Y609 HydrophobicContact CB-CE1 4.23Å; E575-Y609 HydrophobicContact CG-CD1 4.01Å; E575-Y609 HydrophobicContact CG-CD2 4.26Å; E575-Y609 HydrophobicContact CG-CE1 3.46Å; E575-Y609 VanDerWaalsContact CG-CE1 3.46Å; E575-Y609 HydrophobicContact CG-CE2 3.77Å; E575-Y609 HydrophobicContact CG-CG 4.38Å; D605-Y609 WeakPolarHBondContact O-CB 3.48Å; D605-Y609 PolarHBondContact O-N 2.89Å; Y609-L611 VanDerWaalsContact C-N 3.32Å; Y609-L611 PolarHBondContact O-N 3.46Å; Y609-D612 PolarHBondContact O-N 3.47Å; Y609-I613 HydrophobicContact CD1-CD1 3.62Å; Y609-I613 HydrophobicContact CD2-CD1 4.21Å; Y609-I613 HydrophobicContact CE1-CD1 3.13Å; Y609-I613 HydrophobicContact CE1-CG1 4.34Å; Y609-I613 HydrophobicContact CE2-CD1 3.78Å; Y609-I613 HydrophobicContact CE2-CG1 4.19Å; Y609-I613 HydrophobicContact CG-CD1 4.12Å; Y609-I613 WeakPolarHBondContact O-CG1 3.37Å; Y609-I613 PolarHBondContact O-N 3.16Å; Y609-I613 VanDerWaalsContact O-N 3.07Å
610L84.4Confident80.1Confident1 Ų154.6 Ų54.61%0.00527%0.274CS..Hα-helixtrans-62.6-36.9177.3-71.2171.5000112.8V574 L595 A598 T606 V607 K608 G614 A615V574-L610 HydrophobicContact CG1-CD2 4Å; V574-L610 HydrophobicContact CG1-CG 4.41Å; L595-L610 HydrophobicContact CB-CD1 4.5Å; L595-L610 HydrophobicContact CD1-CB 3.91Å; L595-L610 HydrophobicContact CD1-CD1 4.22Å; A598-L610 HydrophobicContact CB-CD1 3.76Å; T606-L610 WeakPolarHBondContact O-CG 3.5Å; T606-L610 PolarHBondContact O-N 3.42Å; V607-L610 PolarHBondContact O-N 2.84Å; K608-L610 PolarHBondContact O-N 2.88Å; L610-G614 PolarHBondContact O-N 2.84Å; L610-A615 HydrophobicContact CB-CB 4.22Å; L610-A615 WeakPolarHBondContact O-CB 3.38Å; L610-A615 PolarHBondContact O-N 3.27Å
611L83.6Confident80Confident15 Ų1554.3 Ų54.38%0.07927%0.273CS..Hα-helixtrans-69.5-34.7175.4-71.8171.9000112.4L595 V607 K608 Y609 G614 F617 I643L595-L611 HydrophobicContact CD1-CD2 4.39Å; L595-L611 HydrophobicContact CD1-CG 4.3Å; L595-L611 HydrophobicContact CD2-CD2 4.04Å; V607-L611 HydrophobicContact CG1-CD1 3.95Å; V607-L611 HydrophobicContact CG1-CG 4.46Å; V607-L611 WeakPolarHBondContact O-CB 3.3Å; V607-L611 VanDerWaalsContact O-CG 3.28Å; V607-L611 WeakPolarHBondContact O-CG 3.4Å; V607-L611 PolarHBondContact O-N 3.38Å; K608-L611 PolarHBondContact O-N 3.02Å; Y609-L611 VanDerWaalsContact C-N 3.32Å; Y609-L611 PolarHBondContact O-N 3.46Å; L611-G614 PolarHBondContact O-N 2.93Å; L611-F617 HydrophobicContact CD2-CB 4.31Å; L611-F617 HydrophobicContact CD2-CD1 4.09Å; L611-F617 HydrophobicContact CD2-CG 4.47Å; L611-I643 HydrophobicContact CD1-CG1 4.19Å
612D83.9Confident80Confident90 Ų9061.6 Ų61.648%0.48130%0.299SS..Hα-helixtrans-71.2-32.6178.1-72.8-23.4000112.5K608 Y609 G614 K646K608-D612 PolarHBondContact O-N 3.4Å; Y609-D612 PolarHBondContact O-N 3.47Å; D612-G614 PolarHBondContact O-N 3.19Å; D612-K646 WeakPolarHBondContact OD1-CE 3.36Å; D612-K646 IonicContact OD1-NZ 2.65Å; D612-K646 PolarHBondContact OD1-NZ 2.89Å
613I82.6Confident80Confident61 Ų6168.7 Ų68.731%0.31333%0.327SS..THydrogen-bonded Turntrans-75.5-12.1173-57.8160.7000112.1V578 I584 Y609V578-I613 HydrophobicContact CG1-CD1 4.02Å; V578-I613 HydrophobicContact CG1-CG2 4.44Å; V578-I613 HydrophobicContact CG2-CD1 4.34Å; I584-I613 HydrophobicContact CD1-CG2 3.48Å; I584-I613 VanDerWaalsContact CD1-CG2 3.48Å; I584-I613 HydrophobicContact CG1-CG2 4.48Å; Y609-I613 HydrophobicContact CD1-CD1 3.62Å; Y609-I613 HydrophobicContact CD2-CD1 4.21Å; Y609-I613 HydrophobicContact CE1-CD1 3.13Å; Y609-I613 HydrophobicContact CE1-CG1 4.34Å; Y609-I613 HydrophobicContact CE2-CD1 3.78Å; Y609-I613 HydrophobicContact CE2-CG1 4.19Å; Y609-I613 HydrophobicContact CG-CD1 4.12Å; Y609-I613 WeakPolarHBondContact O-CG1 3.37Å; Y609-I613 PolarHBondContact O-N 3.16Å; Y609-I613 VanDerWaalsContact O-N 3.07Å
614G79.6Confident80Confident52 Ų5266.2 Ų66.254%0.53633%0.33SS..THydrogen-bonded Turntrans93.230.6176.400000114.9L610 L611 D612 K616L610-G614 PolarHBondContact O-N 2.84Å; L611-G614 PolarHBondContact O-N 2.93Å; D612-G614 PolarHBondContact O-N 3.19Å; G614-K616 PolarHBondContact O-N 3.47Å
615A82.3Confident80Confident4 Ų468 Ų683%0.03334%0.337CS..  trans-57136.4172.300000111.8I584 L595 L610 F617I584-A615 HydrophobicContact CG2-CB 3.58Å; L595-A615 HydrophobicContact CB-CB 4.43Å; L595-A615 HydrophobicContact CD2-CB 4.3Å; L610-A615 HydrophobicContact CB-CB 4.22Å; L610-A615 WeakPolarHBondContact O-CB 3.38Å; L610-A615 PolarHBondContact O-N 3.27Å; A615-F617 PolarHBondContact O-N 3.31Å; A615-F617 VanDerWaalsContact O-N 3.17Å
616K80.6Confident80.1Confident122 Ų12265.5 Ų65.553%0.5333%0.325SS..  trans-74.1110.2-178.8-68.4175.6-168.7168.20111D585 G614 L619D585-K616 PolarHBondContact OD1-N 3.05Å; D585-K616 WeakPolarHBondContact OD2-CD 3.28Å; D585-K616 VanDerWaalsContact OD2-CE 3.23Å; D585-K616 WeakPolarHBondContact OD2-CE 3.41Å; D585-K616 VanDerWaalsContact OD2-CG 3.28Å; D585-K616 WeakPolarHBondContact OD2-CG 3.31Å; D585-K616 IonicContact OD2-NZ 3.16Å; G614-K616 PolarHBondContact O-N 3.47Å; K616-L619 HydrophobicContact CB-CD1 3.73Å; K616-L619 HydrophobicContact CB-CG 3.92Å; K616-L619 HydrophobicContact CD-CD1 4.23Å
617F74Confident79.9Confident37 Ų3765.4 Ų65.416%0.16233%0.325CS..THydrogen-bonded Turntrans-92.2-5.7179.361.8-92.8000114.4L595 L611 A615 A627 I643 L647 L650L595-F617 HydrophobicContact CD2-CB 3.64Å; L611-F617 HydrophobicContact CD2-CB 4.31Å; L611-F617 HydrophobicContact CD2-CD1 4.09Å; L611-F617 HydrophobicContact CD2-CG 4.47Å; A615-F617 PolarHBondContact O-N 3.31Å; A615-F617 VanDerWaalsContact O-N 3.17Å; F617-A627 HydrophobicContact CB-CB 4.03Å; F617-A627 WeakPolarHBondContact O-CB 3.42Å; F617-A627 PolarHBondContact O-N 2.82Å; F617-I643 HydrophobicContact CD2-CG2 4.47Å; F617-L647 HydrophobicContact CE2-CD1 3.92Å; F617-L647 HydrophobicContact CZ-CD1 4.37Å; F617-L650 HydrophobicContact CZ-CD1 3.8Å
618Q73.2Confident79.7Confident135 Ų13567 Ų6763%0.63133%0.332SS*.THydrogen-bonded Turntrans-89.1-1.2176.2-66-179.6-1000113.7E620Q618-E620 PolarHBondContact O-N 3.01Å
619L75.7Confident79.6Confident62 Ų6264.2 Ų64.233%0.32532%0.323SS..PPolyproline II helixtrans-72.8129.7179.2-70.2172.2000110.7D585 T593 K616D585-L619 HydrophobicContact CB-CD1 4.42Å; T593-L619 HydrophobicContact CG2-CB 4.12Å; T593-L619 HydrophobicContact CG2-CD1 3.63Å; K616-L619 HydrophobicContact CB-CD1 3.73Å; K616-L619 HydrophobicContact CB-CG 3.92Å; K616-L619 HydrophobicContact CD-CD1 4.23Å
620E78.3Confident79.3Confident122 Ų12262.2 Ų62.257%0.5732%0.316SS*.PPolyproline II helixtrans-89.9133.4-178.5-65.4179.5-173.600111.8Q618 T626Q618-E620 PolarHBondContact O-N 3.01Å; E620-T626 HydrophobicContact CG-CG2 4.09Å
621N77.2Confident79.2Confident22 Ų2262.2 Ų62.212%0.11832%0.316CS..PPolyproline II helixtrans-68.9169169.4-68.3-26.1000110.8N591 S592 N596 K623 G624 H625N591-N621 PolarHBondContact O-OD1 3.07Å; S592-N621 WeakPolarHBondContact CA-OD1 3.44Å; S592-N621 PolarHBondContact N-OD1 3.49Å; N596-N621 PolarHBondContact ND2-ND2 3.31Å; N596-N621 PolarHBondContact ND2-OD1 2.91Å; N621-K623 PolarHBondContact O-N 3.27Å; N621-G624 PolarHBondContact O-N 3.36Å; N621-H625 PolarHBondContact N-O 3.08Å
622R76.1Confident79Confident161 Ų16166.9 Ų66.961%0.60834%0.335SS*.THydrogen-bonded Turntrans-53-19.4171.9-80.4-170.1-179.5175.52.3115.1I589 N590I589-R622 PolarHBondContact O-NE 3.17Å; I589-R622 PolarHBondContact O-NH2 3.19Å; N590-R622 PolarHBondContact O-N 2.69Å
623K74.4Confident78.7Confident173 Ų17366.1 Ų66.175%0.75234%0.342SS*.THydrogen-bonded Turntrans-89.82.4176.1-62.7-174.7177.5-177.20113.7N621 H625N621-K623 PolarHBondContact O-N 3.27Å; K623-H625 PolarHBondContact O-CD2 3.23Å; K623-H625 VanDerWaalsContact O-CD2 3.24Å; K623-H625 PolarHBondContact O-N 3.1Å
624G75.9Confident78.3Confident39 Ų3967.6 Ų67.640%0.40234%0.344SS..SBendtrans73.411.3-173.900000114.2N621N621-G624 PolarHBondContact O-N 3.36Å
625H80.2Confident78Confident78 Ų7868.8 Ų68.836%0.36135%0.349SS..  trans-86.3127.8-178.5-62.1-179000110.3N621 K623 D629 V630N621-H625 PolarHBondContact N-O 3.08Å; K623-H625 PolarHBondContact O-CD2 3.23Å; K623-H625 VanDerWaalsContact O-CD2 3.24Å; K623-H625 PolarHBondContact O-N 3.1Å; H625-D629 HydrophobicContact CB-CB 4.09Å; H625-V630 HydrophobicContact CB-CG2 4.14Å
626T82.9Confident77.4Confident34 Ų3469.9 Ų69.921%0.20935%0.354CS..  trans-79.6167.3167.957.30000111.3E620 M628 D629 V630E620-T626 HydrophobicContact CG-CG2 4.09Å; T626-M628 PolarHBondContact O-N 2.88Å; T626-M628 VanDerWaalsContact O-N 3.1Å; T626-D629 PolarHBondContact N-OD2 3.26Å; T626-D629 VanDerWaalsContact N-OD2 3.13Å; T626-D629 PolarHBondContact O-N 3.21Å; T626-D629 PolarHBondContact OG1-OD2 3.09Å; T626-V630 WeakPolarHBondContact O-CG2 3.34Å; T626-V630 PolarHBondContact O-N 2.96Å
627A79.2Confident77.2Confident0 Ų071.8 Ų71.80%036%0.359CS..Hα-helixtrans-53.2-3317600000112.5L595 N596 I599 F617 A631L595-A627 HydrophobicContact CD2-CB 4.38Å; N596-A627 WeakPolarHBondContact OD1-CA 3.29Å; N596-A627 WeakPolarHBondContact OD1-CB 3.38Å; I599-A627 HydrophobicContact CD1-CB 3.79Å; F617-A627 HydrophobicContact CB-CB 4.03Å; F617-A627 WeakPolarHBondContact O-CB 3.42Å; F617-A627 PolarHBondContact O-N 2.82Å; A627-A631 WeakPolarHBondContact O-CB 3.28Å; A627-A631 PolarHBondContact O-N 3.16Å
628M80.3Confident77.4Confident33 Ų3376.3 Ų76.316%0.16338%0.375CS..Hα-helixtrans-67.4-41175.3-175.957.4156.700112.9T626 A631 K632 I640 I643 K644T626-M628 PolarHBondContact O-N 2.88Å; T626-M628 VanDerWaalsContact O-N 3.1Å; M628-A631 PolarHBondContact O-N 3.09Å; M628-K632 WeakPolarHBondContact O-CG 3.3Å; M628-K632 PolarHBondContact O-N 2.78Å; M628-I640 HydrophobicContact CE-CG2 3.82Å; M628-I640 HydrophobicContact SD-CG2 4.2Å; M628-I643 HydrophobicContact CB-CG2 4.42Å; M628-I643 HydrophobicContact SD-CB 4.44Å; M628-I643 HydrophobicContact SD-CG2 4.19Å; M628-K644 HydrophobicContact CE-CD 3.93Å; M628-K644 HydrophobicContact CE-CG 3.42Å; M628-K644 VanDerWaalsContact CE-CG 3.42Å
629D81.3Confident77.7Confident58 Ų5869.9 Ų69.931%0.3135%0.345SS..Hα-helixtrans-72.1-33.9178.5-56.3-44.6000111.3H625 T626 K632 A633H625-D629 HydrophobicContact CB-CB 4.09Å; T626-D629 PolarHBondContact N-OD2 3.26Å; T626-D629 VanDerWaalsContact N-OD2 3.13Å; T626-D629 PolarHBondContact O-N 3.21Å; T626-D629 PolarHBondContact OG1-OD2 3.09Å; D629-K632 PolarHBondContact O-N 3.37Å; D629-K632 IonicContact OD1-NZ 3.64Å; D629-A633 WeakPolarHBondContact O-CB 3.39Å; D629-A633 PolarHBondContact O-N 3Å
630V80.1Confident77.9Confident8 Ų868.3 Ų68.35%0.04834%0.337CS..Hα-helixtrans-63.1-47.8169.6-179.80000110.1I599 E600 H625 T626 K632 A633 Y634I599-V630 HydrophobicContact CG2-CG1 4.07Å; E600-V630 HydrophobicContact CG-CG1 4.39Å; H625-V630 HydrophobicContact CB-CG2 4.14Å; T626-V630 WeakPolarHBondContact O-CG2 3.34Å; T626-V630 PolarHBondContact O-N 2.96Å; V630-K632 VanDerWaalsContact C-N 3.31Å; V630-K632 PolarHBondContact O-N 3.08Å; V630-A633 WeakPolarHBondContact O-CB 3.21Å; V630-A633 PolarHBondContact O-N 3.33Å; V630-A633 VanDerWaalsContact O-N 3.08Å; V630-Y634 HydrophobicContact CG1-CD2 3.97Å; V630-Y634 HydrophobicContact CG1-CE2 3.98Å; V630-Y634 WeakPolarHBondContact O-CD2 3.24Å; V630-Y634 PolarHBondContact O-N 3.35Å; V630-Y634 VanDerWaalsContact O-N 3.14Å
631A81.4Confident77.9Confident0 Ų064.2 Ų64.20%033%0.327CS..Hα-helixtrans-59.6-39.6177.600000112.7I599 A627 M628 Y634 A635 I639 I640 I643I599-A631 HydrophobicContact CG2-CB 3.76Å; A627-A631 WeakPolarHBondContact O-CB 3.28Å; A627-A631 PolarHBondContact O-N 3.16Å; M628-A631 PolarHBondContact O-N 3.09Å; A631-Y634 PolarHBondContact O-N 3.25Å; A631-A635 PolarHBondContact O-N 3.17Å; A631-A635 VanDerWaalsContact O-N 3.13Å; A631-I639 HydrophobicContact CB-CG2 3.98Å; A631-I640 HydrophobicContact CB-CG1 3.86Å; A631-I643 HydrophobicContact CB-CD1 4.12Å
632K79.6Confident78.1Confident113 Ų11365 Ų6549%0.49133%0.331SS..Hα-helixtrans-63.6-41.6172.8-72.9172.9-172.71660112.5M628 D629 V630 Y634 A635 I640M628-K632 WeakPolarHBondContact O-CG 3.3Å; M628-K632 PolarHBondContact O-N 2.78Å; D629-K632 PolarHBondContact O-N 3.37Å; D629-K632 IonicContact OD1-NZ 3.64Å; V630-K632 VanDerWaalsContact C-N 3.31Å; V630-K632 PolarHBondContact O-N 3.08Å; K632-Y634 VanDerWaalsContact C-N 3.29Å; K632-Y634 PolarHBondContact O-N 3.18Å; K632-A635 PolarHBondContact O-N 3.01Å; K632-A635 VanDerWaalsContact O-N 3.15Å; K632-I640 HydrophobicContact CG-CD1 4.18Å
633A77.9Confident78.2Confident75 Ų7557.5 Ų57.562%0.6230%0.303SS*.Hα-helixtrans-63.2-33.8179.400000112.8D629 V630D629-A633 WeakPolarHBondContact O-CB 3.39Å; D629-A633 PolarHBondContact O-N 3Å; V630-A633 WeakPolarHBondContact O-CB 3.21Å; V630-A633 PolarHBondContact O-N 3.33Å; V630-A633 VanDerWaalsContact O-N 3.08Å
634Y75Confident78.5Confident91 Ų9154.3 Ų54.336%0.35729%0.289SS..Hα-helixtrans-89.2-3.9176.6-73-86.7000114E600 V630 A631 K632 D636 K766E600-Y634 HydrophobicContact CB-CE2 4.41Å; E600-Y634 HydrophobicContact CG-CD2 4.41Å; E600-Y634 HydrophobicContact CG-CE2 3.63Å; V630-Y634 HydrophobicContact CG1-CD2 3.97Å; V630-Y634 HydrophobicContact CG1-CE2 3.98Å; V630-Y634 WeakPolarHBondContact O-CD2 3.24Å; V630-Y634 PolarHBondContact O-N 3.35Å; V630-Y634 VanDerWaalsContact O-N 3.14Å; A631-Y634 PolarHBondContact O-N 3.25Å; K632-Y634 VanDerWaalsContact C-N 3.29Å; K632-Y634 PolarHBondContact O-N 3.18Å; Y634-D636 PolarHBondContact O-N 3.29Å; Y634-K766 PolarHBondContact O-NZ 3.41Å
635A71.6Confident78.6Confident78 Ų7858.2 Ų58.265%0.64530%0.297SS*.THydrogen-bonded Turntrans5833.6173.400000115.7A631 K632A631-A635 PolarHBondContact O-N 3.17Å; A631-A635 VanDerWaalsContact O-N 3.13Å; K632-A635 PolarHBondContact O-N 3.01Å; K632-A635 VanDerWaalsContact O-N 3.15Å
636D71.3Confident78.3Confident26 Ų2658.4 Ų58.414%0.13930%0.296CS..  trans-90.8102.7173.2-165.4-25.6000111.5Y634 R638 I639 I640Y634-D636 PolarHBondContact O-N 3.29Å; D636-R638 PolarHBondContact O-N 3.43Å; D636-R638 PolarHBondContact OD1-N 3.3Å; D636-R638 VanDerWaalsContact OD1-N 3.08Å; D636-I639 HydrophobicContact CB-CB 4.33Å; D636-I639 HydrophobicContact CB-CD1 4.08Å; D636-I639 HydrophobicContact CB-CG1 4.24Å; D636-I639 PolarHBondContact O-N 3.37Å; D636-I639 WeakPolarHBondContact OD2-CD1 3.21Å; D636-I640 WeakPolarHBondContact O-CD1 3.35Å; D636-I640 VanDerWaalsContact O-CG1 3.23Å; D636-I640 WeakPolarHBondContact O-CG1 3.4Å; D636-I640 PolarHBondContact O-N 3.17Å
637Y74.9Confident77.8Confident162 Ų16261 Ų6164%0.63531%0.308SS*.Hα-helixtrans-61.8-27.5-177.166.5-84.5000113.8G641Y637-G641 PolarHBondContact O-N 3.16Å; Y637-G641 VanDerWaalsContact O-N 3.08Å
638R78.4Confident77.4Confident132 Ų13267 Ų6750%0.49834%0.341SS..Hα-helixtrans-75.8-44.6-176.7-57.8174.4-163.5-179.88.5110.7L604 D636 G641 M642L604-R638 HydrophobicContact CD1-CB 4.18Å; L604-R638 VanDerWaalsContact CD1-CD 3.44Å; L604-R638 HydrophobicContact CD1-CG 4.46Å; L604-R638 HydrophobicContact CD2-CB 3.52Å; L604-R638 HydrophobicContact CD2-CG 4.49Å; D636-R638 PolarHBondContact O-N 3.43Å; D636-R638 PolarHBondContact OD1-N 3.3Å; D636-R638 VanDerWaalsContact OD1-N 3.08Å; R638-G641 PolarHBondContact O-N 3.21Å; R638-M642 WeakPolarHBondContact O-CG 3.44Å; R638-M642 PolarHBondContact O-N 2.97Å
639I80Confident76.7Confident0 Ų071 Ų710%036%0.362CS..Hα-helixtrans-64.1-42.2175.8-63.1177.7000110.6I599 L604 V607 A631 D636 G641 M642 I643I599-I639 HydrophobicContact CG1-CG2 4.09Å; I599-I639 HydrophobicContact CG2-CG2 4.28Å; L604-I639 HydrophobicContact CD2-CD1 4.25Å; L604-I639 HydrophobicContact CD2-CG1 3.48Å; L604-I639 VanDerWaalsContact CD2-CG1 3.48Å; V607-I639 HydrophobicContact CG1-CG2 4.15Å; V607-I639 HydrophobicContact CG2-CD1 4.32Å; A631-I639 HydrophobicContact CB-CG2 3.98Å; D636-I639 HydrophobicContact CB-CB 4.33Å; D636-I639 HydrophobicContact CB-CD1 4.08Å; D636-I639 HydrophobicContact CB-CG1 4.24Å; D636-I639 PolarHBondContact O-N 3.37Å; D636-I639 WeakPolarHBondContact OD2-CD1 3.21Å; I639-G641 VanDerWaalsContact C-N 3.3Å; I639-G641 PolarHBondContact O-N 3.42Å; I639-M642 PolarHBondContact O-N 2.63Å; I639-I643 HydrophobicContact CG2-CD1 3.7Å; I639-I643 HydrophobicContact CG2-CG1 4.32Å; I639-I643 WeakPolarHBondContact O-CG1 3.41Å; I639-I643 PolarHBondContact O-N 3.5Å
640I80Confident75.9Confident30 Ų3072.2 Ų72.215%0.15437%0.368CS..Hα-helixtrans-59.7-42.2175.7-66.7166.9000110.9M628 A631 K632 D636 K644M628-I640 HydrophobicContact CE-CG2 3.82Å; M628-I640 HydrophobicContact SD-CG2 4.2Å; A631-I640 HydrophobicContact CB-CG1 3.86Å; K632-I640 HydrophobicContact CG-CD1 4.18Å; D636-I640 WeakPolarHBondContact O-CD1 3.35Å; D636-I640 VanDerWaalsContact O-CG1 3.23Å; D636-I640 WeakPolarHBondContact O-CG1 3.4Å; D636-I640 PolarHBondContact O-N 3.17Å; I640-K644 HydrophobicContact CG2-CD 4.34Å; I640-K644 WeakPolarHBondContact O-CB 3.43Å; I640-K644 VanDerWaalsContact O-CG 3.31Å; I640-K644 WeakPolarHBondContact O-CG 3.39Å; I640-K644 PolarHBondContact O-N 3.41Å; I640-K644 VanDerWaalsContact O-N 3.11Å
641G78.2Confident74.3Confident35 Ų3577.5 Ų77.536%0.36140%0.403SS..Hα-helixtrans-61-47.1175.300000112.5Y637 R638 I639 K644 E645Y637-G641 PolarHBondContact O-N 3.16Å; Y637-G641 VanDerWaalsContact O-N 3.08Å; R638-G641 PolarHBondContact O-N 3.21Å; I639-G641 VanDerWaalsContact C-N 3.3Å; I639-G641 PolarHBondContact O-N 3.42Å; G641-K644 PolarHBondContact O-N 3.23Å; G641-E645 WeakPolarHBondContact O-CB 3.47Å; G641-E645 PolarHBondContact O-N 3.11Å
642M80.6Confident72.2Confident39 Ų3986.8 Ų86.819%0.19244%0.444CS..Hα-helixtrans-64.9-41.6-179.7-69.1167.157.900113.4L604 K608 R638 I639 E645 K646L604-M642 HydrophobicContact CD2-SD 4.45Å; K608-M642 HydrophobicContact CB-CE 3.45Å; K608-M642 VanDerWaalsContact CB-CE 3.45Å; K608-M642 HydrophobicContact CD-CE 4.38Å; K608-M642 HydrophobicContact CG-CE 3.81Å; R638-M642 WeakPolarHBondContact O-CG 3.44Å; R638-M642 PolarHBondContact O-N 2.97Å; I639-M642 PolarHBondContact O-N 2.63Å; M642-E645 PolarHBondContact O-N 3.21Å; M642-K646 PolarHBondContact O-N 3.06Å
643I79.3Confident70.2Confident4 Ų487 Ų872%0.02146%0.456CS..Hα-helixtrans-67.4-38.1177.7-64.8170.1000110.4I599 L611 F617 M628 A631 I639 L647I599-I643 HydrophobicContact CD1-CD1 3.79Å; L611-I643 HydrophobicContact CD1-CG1 4.19Å; F617-I643 HydrophobicContact CD2-CG2 4.47Å; M628-I643 HydrophobicContact CB-CG2 4.42Å; M628-I643 HydrophobicContact SD-CB 4.44Å; M628-I643 HydrophobicContact SD-CG2 4.19Å; A631-I643 HydrophobicContact CB-CD1 4.12Å; I639-I643 HydrophobicContact CG2-CD1 3.7Å; I639-I643 HydrophobicContact CG2-CG1 4.32Å; I639-I643 WeakPolarHBondContact O-CG1 3.41Å; I639-I643 PolarHBondContact O-N 3.5Å; I643-L647 WeakPolarHBondContact O-CB 3.49Å; I643-L647 PolarHBondContact O-N 3.49Å
644K79.7Confident68Low106 Ų10688.5 Ų88.546%0.46147%0.469SS..Hα-helixtrans-63-47.9172.9-76.5176.9177.1-175.20111.9M628 I640 G641 K646 L647 D648M628-K644 HydrophobicContact CE-CD 3.93Å; M628-K644 HydrophobicContact CE-CG 3.42Å; M628-K644 VanDerWaalsContact CE-CG 3.42Å; I640-K644 HydrophobicContact CG2-CD 4.34Å; I640-K644 WeakPolarHBondContact O-CB 3.43Å; I640-K644 VanDerWaalsContact O-CG 3.31Å; I640-K644 WeakPolarHBondContact O-CG 3.39Å; I640-K644 PolarHBondContact O-N 3.41Å; I640-K644 VanDerWaalsContact O-N 3.11Å; G641-K644 PolarHBondContact O-N 3.23Å; K644-K646 VanDerWaalsContact C-N 3.29Å; K644-K646 PolarHBondContact O-N 2.83Å; K644-L647 WeakPolarHBondContact O-CA 3.48Å; K644-L647 WeakPolarHBondContact O-CB 3.43Å; K644-L647 PolarHBondContact O-N 2.97Å; K644-D648 WeakPolarHBondContact O-CB 3.37Å; K644-D648 VanDerWaalsContact O-CG 3.29Å; K644-D648 PolarHBondContact O-N 3.14Å
645E79.4Confident65.8Low121 Ų12192 Ų9257%0.56549%0.489SS*.Hα-helixtrans-58.8-41179.1-173.6179.9-177.700111.7G641 M642 N649G641-E645 WeakPolarHBondContact O-CB 3.47Å; G641-E645 PolarHBondContact O-N 3.11Å; M642-E645 PolarHBondContact O-N 3.21Å; E645-N649 VanDerWaalsContact O-CB 3.31Å; E645-N649 WeakPolarHBondContact O-CB 3.42Å; E645-N649 PolarHBondContact O-N 3.42Å; E645-N649 VanDerWaalsContact O-N 3.11Å; E645-N649 PolarHBondContact O-ND2 3.2Å
646K73.4Confident63.8Low82 Ų8293.9 Ų93.936%0.35749%0.488SS..Hα-helixtrans-71.2-31.8174.2-74.4-77.3-172.6165.50113.3D612 M642 K644D612-K646 WeakPolarHBondContact OD1-CE 3.36Å; D612-K646 IonicContact OD1-NZ 2.65Å; D612-K646 PolarHBondContact OD1-NZ 2.89Å; M642-K646 PolarHBondContact O-N 3.06Å; K644-K646 VanDerWaalsContact C-N 3.29Å; K644-K646 PolarHBondContact O-N 2.83Å
647L72.5Confident61.9Low87 Ų87102.1 Ų102.146%0.45553%0.525SS..Hα-helixtrans-67.4-42.2173.7-176.872.8000111.4F617 I643 K644 N649 L650F617-L647 HydrophobicContact CE2-CD1 3.92Å; F617-L647 HydrophobicContact CZ-CD1 4.37Å; I643-L647 WeakPolarHBondContact O-CB 3.49Å; I643-L647 PolarHBondContact O-N 3.49Å; K644-L647 WeakPolarHBondContact O-CA 3.48Å; K644-L647 WeakPolarHBondContact O-CB 3.43Å; K644-L647 PolarHBondContact O-N 2.97Å; L647-N649 VanDerWaalsContact C-N 3.29Å; L647-N649 PolarHBondContact O-N 3.28Å; L647-L650 HydrophobicContact CD1-CD1 4.29Å; L647-L650 PolarHBondContact O-N 2.55Å
648D69.6Low59.7Low128 Ų128103.3 Ų103.368%0.68453%0.534SS*.Hα-helixtrans-71.4-25.8179.8-66.5-24.7000112.1K644K644-D648 WeakPolarHBondContact O-CB 3.37Å; K644-D648 VanDerWaalsContact O-CG 3.29Å; K644-D648 PolarHBondContact O-N 3.14Å
649N67.4Low57.4Low115 Ų115105.5 Ų105.562%0.61556%0.555SS**THydrogen-bonded Turntrans-872.1177.2-75.1-41.9000114.8E645 L647E645-N649 VanDerWaalsContact O-CB 3.31Å; E645-N649 WeakPolarHBondContact O-CB 3.42Å; E645-N649 PolarHBondContact O-N 3.42Å; E645-N649 VanDerWaalsContact O-N 3.11Å; E645-N649 PolarHBondContact O-ND2 3.2Å; L647-N649 VanDerWaalsContact C-N 3.29Å; L647-N649 PolarHBondContact O-N 3.28Å
650L62.9Low54.8Low84 Ų84115.4 Ų115.444%0.4460%0.597SS.*SBendtrans-73.3133.2173.2-81166.8000110.8F617 L647 K652F617-L650 HydrophobicContact CZ-CD1 3.8Å; L647-L650 HydrophobicContact CD1-CD1 4.29Å; L647-L650 PolarHBondContact O-N 2.55Å; L650-K652 PolarHBondContact O-N 3.38Å
651P47.8Very low52.2Low120 Ų120117.4 Ų117.478%0.77963%0.625SS**PPolyproline II helixtrans-61.9125.3168.923.8-29.6000109.5
652K36.9Very low49.6Very low195 Ų195126.2 Ų126.285%0.84865%0.654SS**PPolyproline II helixtrans-52.7132.2174.8-70.5176.6179.7175.60109.5L650 A654L650-K652 PolarHBondContact O-N 3.38Å; K652-A654 PolarHBondContact O-N 3Å
653P37.9Very low47Very low117 Ų117130.9 Ų130.976%0.7669%0.685SS**PPolyproline II helixtrans-63.3124.7171.424.8-30.2000109E655P653-E655 PolarHBondContact O-N 3.25Å
654A31.2Very low45.3Very low106 Ų106135.5 Ų135.588%0.87672%0.715SS**  trans-66.4105169.700000108.5K652K652-A654 PolarHBondContact O-N 3Å
655E29.4Very low42.7Very low166 Ų166136.6 Ų136.678%0.77673%0.733SS**  trans-68.1133.3168.1-89.5-172.8160.100111.2P653P653-E655 PolarHBondContact O-N 3.25Å
656N28.5Very low40.5Very low117 Ų117137.5 Ų137.563%0.62674%0.74SS**  trans81106.2146.8-61.5-35.9000120.4
657Q31.7Very low38.2Very low198 Ų198141 Ų14193%0.92576%0.762SS**  -127.2111.8119-86.3-1720.700110.9
658K29.6Very low35.8Very low187 Ų187145 Ų14581%0.81378%0.776SS**  trans-61.6126.5166.3-75.3171.6172.5170.80109.9
659L29.9Very low33.9Very low179 Ų179145.5 Ų145.594%0.93778%0.783SS**  trans-122.1131.3149.7-93.7163000109.9
660K24.8Very low31.7Very low207 Ų207148.9 Ų148.990%0.980%0.795SS**  trans-77.5143.3-169.9-71.4164.3166.1174.30111.8
661G25.3Very low30.2Very low72 Ų72148.1 Ų148.174%0.74281%0.808SS**  77.9103.7129.700000119.6
662K24.2Very low29.2Very low220 Ų220148.3 Ų148.396%0.95781%0.809SS**  -166133119.3-102.8173.9-176.3-178.80110.7
663T25.3Very low28.4Very low137 Ų137147 Ų14784%0.8481%0.806SS**  trans-90.1178.517544.30000110.9
664P43.6Very low27.9Very low101 Ų101147.7 Ų147.766%0.65680%0.802SS**  -105-159.8-105.731.1-7.2000112.2
665P25.5Very low27.5Very low129 Ų129152.2 Ų152.284%0.83880%0.802SS**  -131141115.333.7-23.3000113.9
666I34.2Very low27.6Very low140 Ų140153.5 Ų153.572%0.71881%0.805SS**  trans-87.2135.5165.3-67.3161.5000107.8
667L24.5Very low27.2Very low156 Ų156157.4 Ų157.482%0.81782%0.82SS**  trans-145.996.7149-84.5169.3000106.7
668K21.9Very low27.2Very low172 Ų172157.1 Ų157.175%0.74882%0.818SS**  81.3114.494-81-169.3-178-174.20114.1
669T29.4Very low26.9Very low137 Ų137157.3 Ų157.384%0.8482%0.822SS**  trans-69.8134.5152.842.20000110.9
670E20.9Very low26.7Very low186 Ų186154.2 Ų154.287%0.86981%0.813SS**  trans-143.5123.4142.8-75-170.6171.500107.9
671G31.2Very low26.9Very low69 Ų69153.3 Ų153.371%0.71182%0.817SS**  trans-84.2176.116400000110.4
672P28.1Very low26.8Very low123 Ų123154.8 Ų154.880%0.79982%0.816SS**  -155.4162.269.237.9-15.9000118.3
673E20.2Very low27.1Very low168 Ų168149.7 Ų149.779%0.78581%0.808SS**  trans57.8116.1135.3-68.2-173.3164.700126.1
674I27.5Very low27.3Very low132 Ų132150.5 Ų150.568%0.67781%0.805SS**  65111.7126.3-44.7165.2000119.6
675K21.4Very low27Very low200 Ų200154.5 Ų154.587%0.8781%0.809SS**  -178.7148106.1-92.8178.4-172.3172.30112.7
676K31.1Very low27Very low194 Ų194152.2 Ų152.284%0.84381%0.809SS**  trans-57.3149-171.6-63.7170.1170.3-1790114.1
677E21.5Very low26.9Very low199 Ų199151.6 Ų151.693%0.9381%0.811SS**  -159.5125.9129.1-106.1162.3-155.200109.5
678E31Very low27.1Very low191 Ų191149.8 Ų149.889%0.89381%0.808SS**  trans-78.5132.6173.7-68173.315400109
679E23.7Very low27.3Very low192 Ų192148.4 Ų148.490%0.89782%0.815SS**  trans-148.6147.4149.1-83-149.9159.100111.2
680P24.4Very low27.2Very low114 Ų114147.6 Ų147.674%0.7481%0.81SS**  trans-88.8153.8-161.128.7-19.9000114S682P680-S682 PolarHBondContact O-N 2.81Å
681L29.2Very low27.6Very low187 Ų187144.3 Ų144.398%0.97981%0.807SS**  trans-42.8111.7173.7-82.5131.4000113.3
682S24.1Very low27.4Very low104 Ų104150.1 Ų150.173%0.72782%0.816SS**  trans-106.4120.7166.855.10000111.1P680P680-S682 PolarHBondContact O-N 2.81Å
683S30.7Very low27.4Very low113 Ų113147.3 Ų147.379%0.7981%0.809SS**  trans32.5102.7140.8175.70000118.5
684I29.4Very low28Very low153 Ų153148.8 Ų148.879%0.78581%0.813SS**  trans-121.387.8157.4-55.5175.9000109
685Y36.7Very low28.2Very low186 Ų186152.4 Ų152.473%0.72982%0.824SS**  trans-143.497.9151.3-73.7-73.7000108.1Y525Y525-Y685 PolarHBondContact OH-OH 2.95Å
686G26.7Very low28.7Very low81 Ų81148.2 Ų148.284%0.83582%0.815SS**PPolyproline II helixtrans-85.1118170.100000110.2
687V30.5Very low29Very low126 Ų126148.7 Ų148.776%0.76481%0.811SS**PPolyproline II helixtrans-100143.2157.5178.30000106.3T689V687-T689 PolarHBondContact O-N 3.23Å
688P28.7Very low30Very low118 Ų118145.2 Ų145.277%0.76679%0.793SS**PPolyproline II helixtrans-59.2130.9-172.4-19.831000112.1T690P688-T690 PolarHBondContact O-N 3.24Å
689T26.1Very low30.7Very low143 Ų143143 Ų14388%0.87779%0.787SS**  trans-72.5104.9176.135.90000110.7V687V687-T689 PolarHBondContact O-N 3.23Å
690T27.8Very low32.2Very low121 Ų121139.2 Ų139.274%0.74277%0.773SS**  trans-85.6119155.550.60000108.6P688P688-T690 PolarHBondContact O-N 3.24Å
691S29.3Very low33.8Very low116 Ų116138.7 Ų138.781%0.81177%0.768SS**  trans-15.3120.5178.657.50000117.5G693S691-G693 PolarHBondContact O-N 3.34Å
692E27.7Very low35.2Very low191 Ų191135.6 Ų135.689%0.89376%0.756SS**  trans-63.8109.6171-65.5-175.3154.800112.2
693G28.1Very low36.8Very low64 Ų64134.3 Ų134.366%0.6674%0.739SS**  trans-104.9102.7152.900000108.7S691 K695S691-G693 PolarHBondContact O-N 3.34Å; G693-K695 PolarHBondContact O-N 3.06Å
694K32.2Very low38.1Very low200 Ų200133.6 Ų133.687%0.8773%0.726SS**  trans-52.4102.9173.3-81.2178.2177.3172.10110.2
695K31.2Very low39.6Very low208 Ų208130.6 Ų130.690%0.90471%0.711SS**  trans-102.6111.4163.8-84.6-175.1177.6176.50109.3G693 R697G693-K695 PolarHBondContact O-N 3.06Å; K695-R697 PolarHBondContact O-N 3.31Å
696V32.6Very low40.9Very low112 Ų112124.5 Ų124.568%0.67970%0.696SS**  trans-59.2124.4174.7178.30000109.3K698V696-K698 HydrophobicContact CG1-CG 4.12Å; V696-K698 PolarHBondContact O-N 2.95Å; V696-K698 VanDerWaalsContact O-N 3.14Å
697R37.5Very low42.3Very low203 Ų203123.4 Ų123.477%0.76667%0.671SS**  trans-51.7115.8167.3-97.3179.5170.8165.9-2108.7E440 K695E440-R697 IonicContact OE1-NH2 2.71Å; E440-R697 PolarHBondContact OE1-NH2 3.49Å; K695-R697 PolarHBondContact O-N 3.31Å
698K41.8Very low43.7Very low126 Ų126122.6 Ų122.655%0.54866%0.661SS.*  trans-132.868.9175.9-73.4-171.9-179.9178.80110.2V696 N700V696-K698 HydrophobicContact CG1-CG 4.12Å; V696-K698 PolarHBondContact O-N 2.95Å; V696-K698 VanDerWaalsContact O-N 3.14Å; K698-N700 PolarHBondContact O-N 3.35Å
699D47.1Very low45.1Very low144 Ų144123 Ų12377%0.7766%0.661SS**  trans-80.562167.5-61.6-23000109.4
700N54.8Low46.7Very low113 Ų113119.5 Ų119.560%0.60464%0.643SS**  trans-110119.8171.6-92.4-17000108.5K698 V702 H703 L704K698-N700 PolarHBondContact O-N 3.35Å; N700-V702 PolarHBondContact O-N 3.05Å; N700-H703 HydrophobicContact CB-CB 4.45Å; N700-H703 WeakPolarHBondContact O-CA 2.87Å; N700-H703 WeakPolarHBondContact O-CB 3.05Å; N700-H703 PolarHBondContact O-N 3.43Å; N700-L704 PolarHBondContact O-N 3.12Å
701V57.8Low47.8Very low103 Ų103116.6 Ų116.662%0.62464%0.636SS**Hα-helixtrans-52.3-32.4179.3177.20000112.3H703 L704 N705V701-H703 PolarHBondContact O-N 2.87Å; V701-L704 PolarHBondContact O-N 3.37Å; V701-N705 WeakPolarHBondContact O-CB 3.12Å; V701-N705 VanDerWaalsContact O-CG 3.32Å; V701-N705 PolarHBondContact O-N 3.1Å
702V58.9Low48.8Very low122 Ų122120.6 Ų120.674%0.73964%0.635SS**Hα-helixtrans-66.1-36.3176.3-175.60000112N700 S706N700-V702 PolarHBondContact O-N 3.05Å; V702-S706 PolarHBondContact O-N 3.33Å
703H57.7Low49.8Very low78 Ų78115.5 Ų115.536%0.36162%0.617SS.*Hα-helixtrans-72.5-39.9177-171.533.8000111.5N700 V701 N705 S706 L707N700-H703 HydrophobicContact CB-CB 4.45Å; N700-H703 WeakPolarHBondContact O-CA 2.87Å; N700-H703 WeakPolarHBondContact O-CB 3.05Å; N700-H703 PolarHBondContact O-N 3.43Å; V701-H703 PolarHBondContact O-N 2.87Å; H703-N705 PolarHBondContact O-N 3.27Å; H703-S706 WeakPolarHBondContact CA-OG 3.33Å; H703-S706 PolarHBondContact ND1-OG 3.39Å; H703-S706 PolarHBondContact O-N 3.38Å; H703-S706 PolarHBondContact O-OG 3.49Å; H703-L707 WeakPolarHBondContact O-CG 3.4Å; H703-L707 PolarHBondContact O-N 3.21Å; H703-L707 VanDerWaalsContact O-N 3.11Å
704L56.9Low50.8Low98 Ų98122.1 Ų122.151%0.51363%0.628SS.*Hα-helixtrans-62.4-42.7174.3-70.3167.6000111.5N700 V701 S706 L707 I708N700-L704 PolarHBondContact O-N 3.12Å; V701-L704 PolarHBondContact O-N 3.37Å; L704-S706 VanDerWaalsContact C-N 3.32Å; L704-S706 PolarHBondContact O-N 2.91Å; L704-L707 PolarHBondContact O-N 3.48Å; L704-L707 VanDerWaalsContact O-N 3.16Å; L704-I708 WeakPolarHBondContact O-CG1 2.91Å; L704-I708 PolarHBondContact O-N 3.4Å; L704-I708 VanDerWaalsContact O-N 3.17Å
705N60.9Low51.5Low90 Ų90122.1 Ų122.148%0.48163%0.628SS.*Hα-helixtrans-64.4-35.4174.9-72.2-13.4000112.5V701 H703 L707 I708 T709V701-N705 WeakPolarHBondContact O-CB 3.12Å; V701-N705 VanDerWaalsContact O-CG 3.32Å; V701-N705 PolarHBondContact O-N 3.1Å; H703-N705 PolarHBondContact O-N 3.27Å; N705-L707 VanDerWaalsContact C-N 3.29Å; N705-L707 PolarHBondContact O-N 3.33Å; N705-I708 PolarHBondContact O-N 3.24Å; N705-T709 PolarHBondContact O-N 2.92Å; N705-T709 PolarHBondContact O-OG1 2.85Å; N705-T709 VanDerWaalsContact O-OG1 3.1Å
706S65.4Low52.1Low57 Ų57118 Ų11840%0.39962%0.62SS.*Hα-helixtrans-66.1-29.9174.673.50000113.5V702 H703 L704 S710V702-S706 PolarHBondContact O-N 3.33Å; H703-S706 WeakPolarHBondContact CA-OG 3.33Å; H703-S706 PolarHBondContact ND1-OG 3.39Å; H703-S706 PolarHBondContact O-N 3.38Å; H703-S706 PolarHBondContact O-OG 3.49Å; L704-S706 VanDerWaalsContact C-N 3.32Å; L704-S706 PolarHBondContact O-N 2.91Å; S706-S710 PolarHBondContact O-N 3.46Å; S706-S710 PolarHBondContact O-OG 2.97Å
707L55Low52.4Low59 Ų59118.5 Ų118.531%0.30962%0.619SS.*Hα-helixtrans-78-28.3177.9-71.1165.7000112.9H703 L704 N705 S710 G711 Y712H703-L707 WeakPolarHBondContact O-CG 3.4Å; H703-L707 PolarHBondContact O-N 3.21Å; H703-L707 VanDerWaalsContact O-N 3.11Å; L704-L707 PolarHBondContact O-N 3.48Å; L704-L707 VanDerWaalsContact O-N 3.16Å; N705-L707 VanDerWaalsContact C-N 3.29Å; N705-L707 PolarHBondContact O-N 3.33Å; L707-S710 WeakPolarHBondContact CA-OG 3.24Å; L707-S710 PolarHBondContact O-OG 3.5Å; L707-G711 PolarHBondContact O-N 3.2Å; L707-Y712 PolarHBondContact O-N 3.11Å
708I59.9Low52.7Low108 Ų108116.6 Ų116.655%0.55462%0.622SS**Hα-helixtrans-66.6-45.6172.4-65.7168.6000109.7L704 N705 S710 G711 T713L704-I708 WeakPolarHBondContact O-CG1 2.91Å; L704-I708 PolarHBondContact O-N 3.4Å; L704-I708 VanDerWaalsContact O-N 3.17Å; N705-I708 PolarHBondContact O-N 3.24Å; I708-S710 VanDerWaalsContact C-N 3.31Å; I708-S710 PolarHBondContact O-N 3.36Å; I708-G711 PolarHBondContact O-N 3.26Å; I708-T713 HydrophobicContact CG1-CG2 4.38Å
709T59.3Low52.4Low127 Ų127114.7 Ų114.778%0.77962%0.621SS**Hα-helixtrans-69.2-28.4179.6-42.90000112.7N705N705-T709 PolarHBondContact O-N 2.92Å; N705-T709 PolarHBondContact O-OG1 2.85Å; N705-T709 VanDerWaalsContact O-OG1 3.1Å
710S59.2Low52.1Low70 Ų70116.4 Ų116.449%0.4962%0.622SS.*THydrogen-bonded Turntrans-88.43.517867.80000114.6S706 L707 I708 Y712S706-S710 PolarHBondContact O-N 3.46Å; S706-S710 PolarHBondContact O-OG 2.97Å; L707-S710 WeakPolarHBondContact CA-OG 3.24Å; L707-S710 PolarHBondContact O-OG 3.5Å; I708-S710 VanDerWaalsContact C-N 3.31Å; I708-S710 PolarHBondContact O-N 3.36Å; S710-Y712 PolarHBondContact O-N 2.91Å
711G51Low51.1Low59 Ų59117.3 Ų117.361%0.60863%0.625SS**THydrogen-bonded Turntrans70.911.5175.500000115.2L707 I708 T713L707-G711 PolarHBondContact O-N 3.2Å; I708-G711 PolarHBondContact O-N 3.26Å; G711-T713 VanDerWaalsContact C-N 3.26Å; G711-T713 PolarHBondContact O-N 2.9Å
712Y50.5Low50Low200 Ų200116 Ų11678%0.78462%0.619SS**  trans-89.734.9-177.3-112.9-86.8000113L707 S710L707-Y712 PolarHBondContact O-N 3.11Å; S710-Y712 PolarHBondContact O-N 2.91Å
713T47.9Very low49.2Very low84 Ų84119.1 Ų119.152%0.51562%0.617SS.*SBendtrans-83.8129.3170.154.10000109I708 G711 K715I708-T713 HydrophobicContact CG1-CG2 4.38Å; G711-T713 VanDerWaalsContact C-N 3.26Å; G711-T713 PolarHBondContact O-N 2.9Å; T713-K715 PolarHBondContact O-N 3.1Å
714K49Very low48.4Very low203 Ų203123 Ų12388%0.88363%0.629SS**  trans-47.9111.3165.7-81.9-178.5175.2-179.10107V716K714-V716 PolarHBondContact O-N 3.42Å
715K47.1Very low47.5Very low200 Ų200124.7 Ų124.787%0.8764%0.637SS**  trans-59.5105.6170.6-72.2-177.2178.3-179.30105.4T713 D717T713-K715 PolarHBondContact O-N 3.1Å; K715-D717 PolarHBondContact O-N 3.21Å; K715-D717 VanDerWaalsContact O-N 3.11Å
716V43.9Very low46.5Very low121 Ų121130.3 Ų130.373%0.73365%0.651SS**  trans-63.3116169.7-176.80000104.2K714 I718K714-V716 PolarHBondContact O-N 3.42Å; V716-I718 PolarHBondContact O-N 3.22Å
717D38.1Very low45.6Very low124 Ų124130.5 Ų130.566%0.66365%0.653SS**  trans-60107.4173.6-152.8-20.7000106.8K715 T719K715-D717 PolarHBondContact O-N 3.21Å; K715-D717 VanDerWaalsContact O-N 3.11Å; D717-T719 PolarHBondContact O-N 2.73Å; D717-T719 WeakPolarHBondContact OD1-CG2 3.24Å; D717-T719 PolarHBondContact OD1-N 3.06Å; D717-T719 PolarHBondContact OD1-OG1 3.39Å
718I44.8Very low45.3Very low163 Ų163133.4 Ų133.484%0.83668%0.675SS**  trans-83.99.5179.236.6168.2000111.1V716 F720V716-I718 PolarHBondContact O-N 3.22Å; I718-F720 PolarHBondContact O-N 3.17Å
719T35.6Very low44.9Very low85 Ų85135.9 Ų135.952%0.52169%0.685SS.*  trans-59.5109.2164.247.20000108.4D717 I721D717-T719 PolarHBondContact O-N 2.73Å; D717-T719 WeakPolarHBondContact OD1-CG2 3.24Å; D717-T719 PolarHBondContact OD1-N 3.06Å; D717-T719 PolarHBondContact OD1-OG1 3.39Å; T719-I721 VanDerWaalsContact C-N 3.3Å; T719-I721 PolarHBondContact O-N 3.38Å
720F40.4Very low44.7Very low181 Ų181132.1 Ų132.179%0.79467%0.666SS**  trans-66.392.9173.2176-98.8000108.2I718 P722I718-F720 PolarHBondContact O-N 3.17Å; F720-P722 HydrophobicContact CE1-CB 3.9Å; F720-P722 HydrophobicContact CE1-CG 4.32Å; F720-P722 HydrophobicContact CZ-CB 4Å
721I34.3Very low44.7Very low132 Ų132132.3 Ų132.368%0.67766%0.664SS**  trans-86.6113.3158.6-56171.2000104.5T719 R723T719-I721 VanDerWaalsContact C-N 3.3Å; T719-I721 PolarHBondContact O-N 3.38Å; I721-R723 PolarHBondContact O-N 3.48Å
722P33.9Very low44.8Very low75 Ų75134.9 Ų134.949%0.48767%0.669SS.*  trans-53.6116.6177.219.1-29.1000108.5F720 R724F720-P722 HydrophobicContact CE1-CB 3.9Å; F720-P722 HydrophobicContact CE1-CG 4.32Å; F720-P722 HydrophobicContact CZ-CB 4Å; P722-R724 PolarHBondContact O-N 2.62Å
723R42.2Very low45.1Very low188 Ų188128.5 Ų128.571%0.70966%0.657SS**SBendtrans-65.1-8.6-178-70.2-179177.4-120-0.3113.1I721I721-R723 PolarHBondContact O-N 3.48Å
724R40.4Very low45.6Very low160 Ų160129.6 Ų129.660%0.60466%0.656SS**  trans-98.7102173.8-134.2179-165-163.76.1106.7P722 W726P722-R724 PolarHBondContact O-N 2.62Å; R724-W726 PolarHBondContact O-N 2.98Å; R724-W726 VanDerWaalsContact O-N 3.08Å
725I38Very low46.1Very low132 Ų132124 Ų12468%0.67764%0.636SS**  trans-64.1106.7144.6-59164.3000101.5S727I725-S727 PolarHBondContact O-N 3.5Å
726W41.2Very low46.9Very low208 Ų208118.8 Ų118.879%0.78862%0.616SS**  trans-60.686161.4-77.824.9000104.3R724 P728R724-W726 PolarHBondContact O-N 2.98Å; R724-W726 VanDerWaalsContact O-N 3.08Å; W726-P728 VanDerWaalsContact O-CD 3.3Å; W726-P728 WeakPolarHBondContact O-CD 3.26Å; W726-P728 VanDerWaalsContact O-N 3.1Å
727S46Very low47.9Very low61 Ų61121.2 Ų121.243%0.42761%0.612SS.*PPolyproline II helixtrans-57.5118.5162.449.20000103.3I725 E729I725-S727 PolarHBondContact O-N 3.5Å; S727-E729 PolarHBondContact O-N 2.87Å
728P48.3Very low49.1Very low121 Ų121119.6 Ų119.679%0.78660%0.6SS**PPolyproline II helixtrans-52.5118.917620.8-30000106.2W726 A730W726-P728 VanDerWaalsContact O-CD 3.3Å; W726-P728 WeakPolarHBondContact O-CD 3.26Å; W726-P728 VanDerWaalsContact O-N 3.1Å; P728-A730 PolarHBondContact O-N 3.29Å
729E52.6Low50.1Low160 Ų160118.6 Ų118.675%0.74859%0.585SS**PPolyproline II helixtrans-54.4140.2171.6-69.5-178.7170.900106.9S727 T731S727-E729 PolarHBondContact O-N 2.87Å; E729-T731 PolarHBondContact O-N 3.04Å
730A55.5Low51.6Low47 Ų47119.1 Ų119.139%0.38858%0.582SS.*PPolyproline II helixtrans-53.5122.2179.100000107.8P728 E734 L735P728-A730 PolarHBondContact O-N 3.29Å; A730-E734 WeakPolarHBondContact CA-OE2 3.38Å; A730-E734 HydrophobicContact CB-CB 4.2Å; A730-L735 HydrophobicContact CB-CD2 3.81Å; A730-L735 HydrophobicContact CB-CG 3.91Å
731T58Low52.8Low74 Ų74114 Ų11445%0.45456%0.562SS.*PPolyproline II helixtrans-56.6153.4-179530000109.4E729 A733 E734 L735E729-T731 PolarHBondContact O-N 3.04Å; T731-A733 PolarHBondContact O-N 2.89Å; T731-E734 PolarHBondContact N-OE2 3.44Å; T731-E734 WeakPolarHBondContact O-CA 3.5Å; T731-E734 WeakPolarHBondContact O-CB 3.41Å; T731-E734 PolarHBondContact O-N 2.88Å; T731-E734 VanDerWaalsContact OG1-CD 3.25Å; T731-E734 VanDerWaalsContact OG1-CG 3.22Å; T731-E734 WeakPolarHBondContact OG1-CG 3.41Å; T731-E734 PolarHBondContact OG1-N 3.25Å; T731-E734 PolarHBondContact OG1-OE2 3.31Å; T731-E734 VanDerWaalsContact OG1-OE2 3.05Å; T731-L735 PolarHBondContact O-N 2.99Å
732T52.8Low54.2Low114 Ų114113.2 Ų113.270%0.69955%0.551SS**Hα-helixtrans-51.1-36.2176.543.60000111.7L735 I736T732-L735 PolarHBondContact O-N 3.4Å; T732-I736 WeakPolarHBondContact O-CB 3.42Å; T732-I736 WeakPolarHBondContact O-CD1 3.29Å; T732-I736 WeakPolarHBondContact O-CG1 3.2Å; T732-I736 PolarHBondContact O-N 2.95Å
733A56.9Low55.8Low65 Ų65114.1 Ų114.154%0.53754%0.544SS..Hα-helixtrans-62.5-44.2172.500000113.6T731 I736 R737T731-A733 PolarHBondContact O-N 2.89Å; A733-I736 PolarHBondContact O-N 3.21Å; A733-R737 WeakPolarHBondContact O-CB 3.47Å; A733-R737 PolarHBondContact O-N 3.07Å
734E58.7Low56.9Low108 Ų108112.5 Ų112.551%0.50555%0.545SS..Hα-helixtrans-68.4-36.7176.6-73.1165.8157.600112.5A730 T731 R737 K738A730-E734 WeakPolarHBondContact CA-OE2 3.38Å; A730-E734 HydrophobicContact CB-CB 4.2Å; T731-E734 PolarHBondContact N-OE2 3.44Å; T731-E734 WeakPolarHBondContact O-CA 3.5Å; T731-E734 WeakPolarHBondContact O-CB 3.41Å; T731-E734 PolarHBondContact O-N 2.88Å; T731-E734 VanDerWaalsContact OG1-CD 3.25Å; T731-E734 VanDerWaalsContact OG1-CG 3.22Å; T731-E734 WeakPolarHBondContact OG1-CG 3.41Å; T731-E734 PolarHBondContact OG1-N 3.25Å; T731-E734 PolarHBondContact OG1-OE2 3.31Å; T731-E734 VanDerWaalsContact OG1-OE2 3.05Å; E734-R737 PolarHBondContact O-N 2.84Å; E734-K738 VanDerWaalsContact O-CB 3.27Å; E734-K738 WeakPolarHBondContact O-CB 3.2Å; E734-K738 PolarHBondContact O-N 3.44Å
735L60.4Low57.9Low86 Ų86109.7 Ų109.745%0.4553%0.534SS..Hα-helixtrans-65.9-41.7174.4-70.8176.1000111.8A730 T731 T732 K738 R739A730-L735 HydrophobicContact CB-CD2 3.81Å; A730-L735 HydrophobicContact CB-CG 3.91Å; T731-L735 PolarHBondContact O-N 2.99Å; T732-L735 PolarHBondContact O-N 3.4Å; L735-K738 PolarHBondContact O-N 3.49Å; L735-R739 WeakPolarHBondContact O-CG 3.22Å; L735-R739 PolarHBondContact O-N 2.86Å
736I62.1Low59.1Low90 Ų90105.3 Ų105.346%0.46251%0.51SS..Hα-helixtrans-63.8-48174.4-69.4163.6000109.9T732 A733 K738 R739 E740T732-I736 WeakPolarHBondContact O-CB 3.42Å; T732-I736 WeakPolarHBondContact O-CD1 3.29Å; T732-I736 WeakPolarHBondContact O-CG1 3.2Å; T732-I736 PolarHBondContact O-N 2.95Å; A733-I736 PolarHBondContact O-N 3.21Å; I736-K738 VanDerWaalsContact C-N 3.3Å; I736-K738 PolarHBondContact O-N 3.36Å; I736-R739 CarbonylContact O-C 3.54Å; I736-R739 WeakPolarHBondContact O-CA 3.44Å; I736-R739 WeakPolarHBondContact O-CB 3.18Å; I736-R739 PolarHBondContact O-N 2.65Å; I736-E740 HydrophobicContact CG2-CG 4.45Å; I736-E740 WeakPolarHBondContact O-CG 3.3Å; I736-E740 PolarHBondContact O-N 3.46Å
737R66.8Low60.2Low171 Ų17199 Ų9965%0.64550%0.495SS*.Hα-helixtrans-59.1-39.5176-171.5-179180-174.20.9112.4A733 E734 R739 E740 L741A733-R737 WeakPolarHBondContact O-CB 3.47Å; A733-R737 PolarHBondContact O-N 3.07Å; E734-R737 PolarHBondContact O-N 2.84Å; R737-R739 VanDerWaalsContact C-N 3.33Å; R737-E740 PolarHBondContact O-N 3.02Å; R737-L741 HydrophobicContact CG-CD1 4.36Å; R737-L741 WeakPolarHBondContact O-CB 3.17Å; R737-L741 WeakPolarHBondContact O-CG 3.41Å; R737-L741 PolarHBondContact O-N 3.18Å
738K63.2Low60.9Low91 Ų91103.1 Ų103.140%0.39651%0.507SS..Hα-helixtrans-67.8-31.8176-169.2173.6-173.2171.80112.3E734 L735 I736 R742E734-K738 VanDerWaalsContact O-CB 3.27Å; E734-K738 WeakPolarHBondContact O-CB 3.2Å; E734-K738 PolarHBondContact O-N 3.44Å; L735-K738 PolarHBondContact O-N 3.49Å; I736-K738 VanDerWaalsContact C-N 3.3Å; I736-K738 PolarHBondContact O-N 3.36Å; K738-R742 PolarHBondContact O-N 3.32Å
739R64.3Low61.5Low142 Ų142101.6 Ų101.654%0.53649%0.49SS..Hα-helixtrans-72-42.7171.9-74.6178-179.8-179.2-0.5111.1L735 I736 R737 R742 R743L735-R739 WeakPolarHBondContact O-CG 3.22Å; L735-R739 PolarHBondContact O-N 2.86Å; I736-R739 CarbonylContact O-C 3.54Å; I736-R739 WeakPolarHBondContact O-CA 3.44Å; I736-R739 WeakPolarHBondContact O-CB 3.18Å; I736-R739 PolarHBondContact O-N 2.65Å; R737-R739 VanDerWaalsContact C-N 3.33Å; R739-R742 WeakPolarHBondContact O-CB 3.27Å; R739-R742 PolarHBondContact O-N 2.95Å; R739-R743 VanDerWaalsContact O-CG 3.31Å; R739-R743 WeakPolarHBondContact O-CG 3.48Å; R739-R743 PolarHBondContact O-N 3.48Å
740E67.1Low61.9Low96 Ų9694.9 Ų94.945%0.44946%0.46SS..Hα-helixtrans-59.5-48.4175-72.1169.8172.800111.8I736 R737 R742 R743 E744I736-E740 HydrophobicContact CG2-CG 4.45Å; I736-E740 WeakPolarHBondContact O-CG 3.3Å; I736-E740 PolarHBondContact O-N 3.46Å; R737-E740 PolarHBondContact O-N 3.02Å; E740-R742 VanDerWaalsContact C-N 3.27Å; E740-R742 PolarHBondContact O-N 3.16Å; E740-R743 WeakPolarHBondContact O-CB 3.42Å; E740-R743 PolarHBondContact O-N 3.39Å; E740-E744 WeakPolarHBondContact O-CG 3.33Å; E740-E744 PolarHBondContact O-N 2.77Å
741L65.7Low62Low73 Ų7396 Ų9638%0.38246%0.459SS..Hα-helixtrans-59-36174.4-76.8165.7000112.8R737 R745R737-L741 HydrophobicContact CG-CD1 4.36Å; R737-L741 WeakPolarHBondContact O-CB 3.17Å; R737-L741 WeakPolarHBondContact O-CG 3.41Å; R737-L741 PolarHBondContact O-N 3.18Å; L741-R745 VanDerWaalsContact O-CG 3.28Å; L741-R745 WeakPolarHBondContact O-CG 3.35Å; L741-R745 PolarHBondContact O-N 2.89Å; L741-R745 VanDerWaalsContact O-N 3.17Å
742R64.3Low62.3Low116 Ų11698.2 Ų98.244%0.43846%0.462SS..Hα-helixtrans-68.9-39.9174.4-89.7-167.2-101.7175.2-8.1112.2K738 R739 E740 R745 F746 V750K738-R742 PolarHBondContact O-N 3.32Å; R739-R742 WeakPolarHBondContact O-CB 3.27Å; R739-R742 PolarHBondContact O-N 2.95Å; E740-R742 VanDerWaalsContact C-N 3.27Å; E740-R742 PolarHBondContact O-N 3.16Å; R742-R745 PolarHBondContact O-N 3.29Å; R742-F746 PolarHBondContact O-N 3.06Å; R742-F746 VanDerWaalsContact O-N 3.08Å; R742-V750 HydrophobicContact CB-CG1 4.17Å
743R66.5Low62.4Low94 Ų94101.3 Ų101.336%0.35547%0.469SS..Hα-helixtrans-64.5-41.1176.1-70.1167.3177.5-178.9-1.3111.6R739 E740 R745 T747 D751R739-R743 VanDerWaalsContact O-CG 3.31Å; R739-R743 WeakPolarHBondContact O-CG 3.48Å; R739-R743 PolarHBondContact O-N 3.48Å; E740-R743 WeakPolarHBondContact O-CB 3.42Å; E740-R743 PolarHBondContact O-N 3.39Å; R743-R745 VanDerWaalsContact C-N 3.33Å; R743-R745 PolarHBondContact O-N 3.2Å; R743-T747 CarbonylContact O-C 3.51Å; R743-T747 VanDerWaalsContact O-CA 3.22Å; R743-T747 WeakPolarHBondContact O-CA 3.41Å; R743-T747 PolarHBondContact O-N 2.83Å; R743-D751 IonicContact CZ-OD2 3.16Å; R743-D751 IonicContact NE-OD2 2.77Å; R743-D751 PolarHBondContact NE-OD2 2.67Å; R743-D751 IonicContact NH2-OD2 2.7Å; R743-D751 PolarHBondContact NH2-OD2 3.03Å
744E66Low62.5Low154 Ų154105.5 Ų105.572%0.7248%0.482SS*.Hα-helixtrans-62.3-39.4175-73177.1173.400112.1E740E740-E744 WeakPolarHBondContact O-CG 3.33Å; E740-E744 PolarHBondContact O-N 2.77Å
745R62.3Low62.6Low100 Ų100102.5 Ų102.538%0.37747%0.468SS..Hα-helixtrans-75.7-36.6-177.7-75.7178.4177.91772.7114.9I538 D572 L741 R742 R743I538-R745 VanDerWaalsContact CD1-NH1 3.33Å; D572-R745 IonicContact OD2-CZ 3.81Å; D572-R745 IonicContact OD2-NE 3.19Å; D572-R745 IonicContact OD2-NH2 2.71Å; D572-R745 PolarHBondContact OD2-NH2 2.86Å; L741-R745 VanDerWaalsContact O-CG 3.28Å; L741-R745 WeakPolarHBondContact O-CG 3.35Å; L741-R745 PolarHBondContact O-N 2.89Å; L741-R745 VanDerWaalsContact O-N 3.17Å; R742-R745 PolarHBondContact O-N 3.29Å; R743-R745 VanDerWaalsContact C-N 3.33Å; R743-R745 PolarHBondContact O-N 3.2Å
746F62.6Low62.6Low40 Ų40102.2 Ų102.218%0.17547%0.465CS..Hα-helixtrans-127.5-10.4-166.2-66.6-70.6000115.1R742 V750 F755 M757 P758R742-F746 PolarHBondContact O-N 3.06Å; R742-F746 VanDerWaalsContact O-N 3.08Å; F746-V750 HydrophobicContact CB-CG2 3.22Å; F746-V750 HydrophobicContact CD2-CG2 4.38Å; F746-V750 HydrophobicContact CG-CG2 4.19Å; F746-F755 HydrophobicContact CB-CZ 3.97Å; F746-F755 HydrophobicContact CD1-CZ 4.43Å; F746-F755 HydrophobicContact CG-CZ 4.28Å; F746-M757 HydrophobicContact CE1-CE 3.68Å; F746-M757 HydrophobicContact CE1-SD 4.28Å; F746-M757 HydrophobicContact CZ-CE 3.72Å; F746-M757 HydrophobicContact CZ-SD 4.37Å; F746-P758 HydrophobicContact CD1-CG 4.03Å; F746-P758 HydrophobicContact CE1-CG 4.47Å
747T64.2Low62.7Low77 Ų77100.7 Ų100.747%0.47246%0.457SS..  trans95.7170.3-171.2740000115.7R743 E749 V750R743-T747 CarbonylContact O-C 3.51Å; R743-T747 VanDerWaalsContact O-CA 3.22Å; R743-T747 WeakPolarHBondContact O-CA 3.41Å; R743-T747 PolarHBondContact O-N 2.83Å; T747-E749 PolarHBondContact O-N 2.88Å; T747-E749 VanDerWaalsContact O-N 3.15Å; T747-V750 WeakPolarHBondContact O-CG2 3.23Å; T747-V750 PolarHBondContact O-N 3.04Å
748H61.1Low62.5Low147 Ų14794.6 Ų94.668%0.68144%0.439SS*.G310 helixtrans-64-13.1180-66.9-72000114.4V750H748-V750 PolarHBondContact O-N 3.46Å
749E61.3Low62.2Low89 Ų8992.5 Ų92.542%0.41643%0.43SS..G310 helixtrans-72-12.3-178.7-64.5-178.7176.700113.8T747 D751 F752 F755 K761T747-E749 PolarHBondContact O-N 2.88Å; T747-E749 VanDerWaalsContact O-N 3.15Å; E749-D751 PolarHBondContact O-N 2.81Å; E749-F752 WeakPolarHBondContact O-CD2 3.46Å; E749-F752 PolarHBondContact O-N 3.41Å; E749-F755 HydrophobicContact CB-CD2 4.08Å; E749-F755 HydrophobicContact CB-CE2 4.44Å; E749-F755 WeakPolarHBondContact O-CD2 3.37Å; E749-K761 IonicContact OE1-NZ 3.48Å; E749-K761 IonicContact OE2-NZ 3.89Å; E749-K761 PolarHBondContact OE2-NZ 2.84Å
750V60.6Low62.2Low19 Ų1990.3 Ų90.312%0.11543%0.426CS..G310 helixtrans-67.5-19.5-173.6-177.90000113.5R742 F746 T747 H748 F752 F755R742-V750 HydrophobicContact CB-CG1 4.17Å; F746-V750 HydrophobicContact CB-CG2 3.22Å; F746-V750 HydrophobicContact CD2-CG2 4.38Å; F746-V750 HydrophobicContact CG-CG2 4.19Å; T747-V750 WeakPolarHBondContact O-CG2 3.23Å; T747-V750 PolarHBondContact O-N 3.04Å; H748-V750 PolarHBondContact O-N 3.46Å; V750-F752 VanDerWaalsContact C-N 3.35Å; V750-F755 HydrophobicContact CG1-CD1 4.44Å; V750-F755 HydrophobicContact CG1-CE1 4.35Å; V750-F755 HydrophobicContact CG2-CD2 4.3Å; V750-F755 HydrophobicContact CG2-CE1 4.14Å; V750-F755 HydrophobicContact CG2-CE2 3.8Å; V750-F755 HydrophobicContact CG2-CZ 3.72Å
751D57.5Low62.2Low70 Ų7089 Ų8937%0.37442%0.419SS..G310 helixtrans-87.2-3.2-178.6-66-32.4000113.1R743 E749R743-D751 IonicContact CZ-OD2 3.16Å; R743-D751 IonicContact NE-OD2 2.77Å; R743-D751 PolarHBondContact NE-OD2 2.67Å; R743-D751 IonicContact NH2-OD2 2.7Å; R743-D751 PolarHBondContact NH2-OD2 3.03Å; E749-D751 PolarHBondContact O-N 2.81Å
752F63.1Low62.3Low120 Ų12088.5 Ų88.553%0.52642%0.416SS..SBendtrans-92.8146176.5-62.5-75.5000111.9E749 V750 D754 F755E749-F752 WeakPolarHBondContact O-CD2 3.46Å; E749-F752 PolarHBondContact O-N 3.41Å; V750-F752 VanDerWaalsContact C-N 3.35Å; F752-D754 PolarHBondContact O-N 3.39Å; F752-F755 VanDerWaalsContact O-CB 3.28Å; F752-F755 WeakPolarHBondContact O-CB 3.45Å; F752-F755 PolarHBondContact O-N 2.95Å; F752-F755 VanDerWaalsContact O-N 3.16Å
753E55.1Low62.5Low180 Ų18087 Ų8784%0.84142%0.416SS*.THydrogen-bonded Turntrans-63.7-26.4-178.1-67.3-175.5168.700113.4F755E753-F755 VanDerWaalsContact C-N 3.26Å; E753-F755 PolarHBondContact O-N 3.23Å
754D59.3Low62.7Low152 Ų15285 Ų8581%0.81341%0.414SS*.THydrogen-bonded Turntrans-85.28.3179.2-62.4-32.3000113.5F752 M756F752-D754 PolarHBondContact O-N 3.39Å; D754-M756 PolarHBondContact O-N 3.49Å; D754-M756 VanDerWaalsContact O-N 3.15Å
755F61.9Low63.1Low46 Ų4682.1 Ų82.120%0.20240%0.401CS..  trans-67.4114.2-178179.5-102.3000111.7F746 E749 V750 F752 E753 M757F746-F755 HydrophobicContact CB-CZ 3.97Å; F746-F755 HydrophobicContact CD1-CZ 4.43Å; F746-F755 HydrophobicContact CG-CZ 4.28Å; E749-F755 HydrophobicContact CB-CD2 4.08Å; E749-F755 HydrophobicContact CB-CE2 4.44Å; E749-F755 WeakPolarHBondContact O-CD2 3.37Å; V750-F755 HydrophobicContact CG1-CD1 4.44Å; V750-F755 HydrophobicContact CG1-CE1 4.35Å; V750-F755 HydrophobicContact CG2-CD2 4.3Å; V750-F755 HydrophobicContact CG2-CE1 4.14Å; V750-F755 HydrophobicContact CG2-CE2 3.8Å; V750-F755 HydrophobicContact CG2-CZ 3.72Å; F752-F755 VanDerWaalsContact O-CB 3.28Å; F752-F755 WeakPolarHBondContact O-CB 3.45Å; F752-F755 PolarHBondContact O-N 2.95Å; F752-F755 VanDerWaalsContact O-N 3.16Å; E753-F755 VanDerWaalsContact C-N 3.26Å; E753-F755 PolarHBondContact O-N 3.23Å; F755-M757 HydrophobicContact CE1-SD 4.09Å
756M60.4Low63.5Low80 Ų8082.1 Ų82.139%0.39440%0.404SS..  trans-98138171.8-63.1-61.2-70.200109.9D754 Q760 K761D754-M756 PolarHBondContact O-N 3.49Å; D754-M756 VanDerWaalsContact O-N 3.15Å; M756-Q760 HydrophobicContact CB-CB 4.31Å; M756-Q760 HydrophobicContact CE-CB 3.74Å; M756-Q760 HydrophobicContact CE-CG 4.28Å; M756-Q760 VanDerWaalsContact CE-OE1 3.27Å; M756-K761 HydrophobicContact CB-CB 4.22Å
757M63.6Low64Low58 Ų5882.5 Ų82.529%0.28642%0.415SS..  trans-54.1143.9175-69.1-65.6-74.900110.1F746 F755 F759 Q760 K761F746-M757 HydrophobicContact CE1-CE 3.68Å; F746-M757 HydrophobicContact CE1-SD 4.28Å; F746-M757 HydrophobicContact CZ-CE 3.72Å; F746-M757 HydrophobicContact CZ-SD 4.37Å; F755-M757 HydrophobicContact CE1-SD 4.09Å; M757-F759 CarbonylContact O-C 2.98Å; M757-F759 PolarHBondContact O-N 3.45Å; M757-Q760 WeakPolarHBondContact O-CA 3.47Å; M757-Q760 PolarHBondContact O-N 3.45Å; M757-K761 PolarHBondContact O-N 2.55Å
758P61.8Low64.5Low42 Ų4287 Ų8727%0.27342%0.423SS..Hα-helixtrans-49.3-36.4-170.3-31.334.9000114.9F746 N762F746-P758 HydrophobicContact CD1-CG 4.03Å; F746-P758 HydrophobicContact CE1-CG 4.47Å; P758-N762 VanDerWaalsContact O-CB 3.29Å; P758-N762 WeakPolarHBondContact O-CB 3.41Å; P758-N762 PolarHBondContact O-N 3.06Å
759F57.2Low65.1Low47 Ų4782.9 Ų82.921%0.20642%0.415CS..Hα-helixtrans-65-47.5175178.1-111.4000113.4H567 E600 M757 N762 I763H567-F759 AromaticContact CE1-CE1 3.39Å; H567-F759 WeakPolarHBondContact CE1-CE1 3.15Å; H567-F759 AromaticContact CE1-CZ 3.48Å; H567-F759 VanDerWaalsContact CE1-CZ 3.48Å; H567-F759 WeakPolarHBondContact CE1-CZ 3.5Å; H567-F759 AromaticContact NE2-CE1 3.64Å; E600-F759 VanDerWaalsContact O-CE2 3.29Å; E600-F759 WeakPolarHBondContact O-CE2 3.19Å; M757-F759 CarbonylContact O-C 2.98Å; M757-F759 PolarHBondContact O-N 3.45Å; F759-N762 PolarHBondContact O-N 3.4Å; F759-I763 HydrophobicContact CD1-CD1 3.93Å; F759-I763 HydrophobicContact CD2-CD1 4.14Å; F759-I763 HydrophobicContact CE1-CD1 3.43Å; F759-I763 VanDerWaalsContact CE1-CD1 3.43Å; F759-I763 HydrophobicContact CE2-CD1 3.67Å; F759-I763 HydrophobicContact CE2-CG1 4.43Å; F759-I763 HydrophobicContact CG-CD1 4.28Å; F759-I763 HydrophobicContact CZ-CD1 3.3Å; F759-I763 HydrophobicContact CZ-CG1 4.47Å; F759-I763 WeakPolarHBondContact O-CG1 2.96Å; F759-I763 PolarHBondContact O-N 3.1Å
760Q64.2Low65.7Low96 Ų9684.3 Ų84.345%0.44942%0.424SS..Hα-helixtrans-67.7-39.8177.1-72176.9-33.500111.3M756 M757 N762 I763 T764M756-Q760 HydrophobicContact CB-CB 4.31Å; M756-Q760 HydrophobicContact CE-CB 3.74Å; M756-Q760 HydrophobicContact CE-CG 4.28Å; M756-Q760 VanDerWaalsContact CE-OE1 3.27Å; M757-Q760 WeakPolarHBondContact O-CA 3.47Å; M757-Q760 PolarHBondContact O-N 3.45Å; Q760-N762 PolarHBondContact O-N 3.33Å; Q760-I763 PolarHBondContact O-N 3.18Å; Q760-T764 WeakPolarHBondContact O-CB 3.47Å; Q760-T764 VanDerWaalsContact O-CG2 3.27Å; Q760-T764 WeakPolarHBondContact O-CG2 3.46Å; Q760-T764 PolarHBondContact O-N 3.39Å; Q760-T764 PolarHBondContact O-OG1 3.34Å; Q760-T764 VanDerWaalsContact O-OG1 3.13Å
761K67.9Low66.4Low68 Ų6888.7 Ų88.730%0.29644%0.444SS..Hα-helixtrans-56-52.3174.4-170.3176.7-178.7-178.40110.5E749 M756 M757 I763 T764 E765E749-K761 IonicContact OE1-NZ 3.48Å; E749-K761 IonicContact OE2-NZ 3.89Å; E749-K761 PolarHBondContact OE2-NZ 2.84Å; M756-K761 HydrophobicContact CB-CB 4.22Å; M757-K761 PolarHBondContact O-N 2.55Å; K761-I763 VanDerWaalsContact C-N 3.35Å; K761-I763 PolarHBondContact O-N 3.05Å; K761-T764 PolarHBondContact O-N 3.46Å; K761-T764 VanDerWaalsContact O-N 3.15Å; K761-T764 PolarHBondContact O-OG1 3.28Å; K761-E765 VanDerWaalsContact CE-OE1 3.25Å; K761-E765 WeakPolarHBondContact CE-OE1 3.37Å; K761-E765 WeakPolarHBondContact O-CB 3.22Å; K761-E765 WeakPolarHBondContact O-CG 3.28Å; K761-E765 PolarHBondContact O-N 3.35Å
762N67Low67.2Low63 Ų6388 Ų8834%0.33745%0.448SS..Hα-helixtrans-63.8-36.8-178.7-147.8-1.3000112.6P758 F759 Q760 K766P758-N762 VanDerWaalsContact O-CB 3.29Å; P758-N762 WeakPolarHBondContact O-CB 3.41Å; P758-N762 PolarHBondContact O-N 3.06Å; F759-N762 PolarHBondContact O-N 3.4Å; Q760-N762 PolarHBondContact O-N 3.33Å; N762-K766 WeakPolarHBondContact O-CB 3.44Å; N762-K766 VanDerWaalsContact O-CG 3.28Å; N762-K766 WeakPolarHBondContact O-CG 3.32Å; N762-K766 PolarHBondContact O-N 3.35Å
763I68.5Low67.6Low85 Ų8585.3 Ų85.344%0.43645%0.448SS..Hα-helixtrans-67-45.6173-71.1170000111.4F759 Q760 K761 E765 K766 A767F759-I763 HydrophobicContact CD1-CD1 3.93Å; F759-I763 HydrophobicContact CD2-CD1 4.14Å; F759-I763 HydrophobicContact CE1-CD1 3.43Å; F759-I763 VanDerWaalsContact CE1-CD1 3.43Å; F759-I763 HydrophobicContact CE2-CD1 3.67Å; F759-I763 HydrophobicContact CE2-CG1 4.43Å; F759-I763 HydrophobicContact CG-CD1 4.28Å; F759-I763 HydrophobicContact CZ-CD1 3.3Å; F759-I763 HydrophobicContact CZ-CG1 4.47Å; F759-I763 WeakPolarHBondContact O-CG1 2.96Å; F759-I763 PolarHBondContact O-N 3.1Å; Q760-I763 PolarHBondContact O-N 3.18Å; K761-I763 VanDerWaalsContact C-N 3.35Å; K761-I763 PolarHBondContact O-N 3.05Å; I763-E765 VanDerWaalsContact C-N 3.34Å; I763-E765 PolarHBondContact O-N 3.08Å; I763-K766 PolarHBondContact O-N 3.25Å; I763-A767 VanDerWaalsContact O-CB 3.28Å; I763-A767 WeakPolarHBondContact O-CB 3.48Å; I763-A767 PolarHBondContact O-N 3.42Å
764T71.8Confident68.3Low51 Ų5183.1 Ų83.131%0.31344%0.441SS..Hα-helixtrans-66.7-36.4-179.1580000112.4Q760 K761 R768Q760-T764 WeakPolarHBondContact O-CB 3.47Å; Q760-T764 VanDerWaalsContact O-CG2 3.27Å; Q760-T764 WeakPolarHBondContact O-CG2 3.46Å; Q760-T764 PolarHBondContact O-N 3.39Å; Q760-T764 PolarHBondContact O-OG1 3.34Å; Q760-T764 VanDerWaalsContact O-OG1 3.13Å; K761-T764 PolarHBondContact O-N 3.46Å; K761-T764 VanDerWaalsContact O-N 3.15Å; K761-T764 PolarHBondContact O-OG1 3.28Å; T764-R768 WeakPolarHBondContact O-CB 3.24Å; T764-R768 PolarHBondContact O-N 3.12Å
765E74.1Confident68.7Low94 Ų9484.5 Ų84.544%0.43944%0.44SS..Hα-helixtrans-66.3-45.1173.6-74.7174.9-178.300111K761 I763 R768 A769K761-E765 VanDerWaalsContact CE-OE1 3.25Å; K761-E765 WeakPolarHBondContact CE-OE1 3.37Å; K761-E765 WeakPolarHBondContact O-CB 3.22Å; K761-E765 WeakPolarHBondContact O-CG 3.28Å; K761-E765 PolarHBondContact O-N 3.35Å; I763-E765 VanDerWaalsContact C-N 3.34Å; I763-E765 PolarHBondContact O-N 3.08Å; E765-R768 PolarHBondContact O-N 3.3Å; E765-A769 WeakPolarHBondContact O-CB 3.37Å; E765-A769 PolarHBondContact O-N 3.34Å
766K69.9Low68Low100 Ų10090.2 Ų90.244%0.43548%0.478SS..Hα-helixtrans-64.4-40.1174.8-75.6-178.8179.6-175.60112.5Y634 N762 I763 A769 L770Y634-K766 PolarHBondContact O-NZ 3.41Å; N762-K766 WeakPolarHBondContact O-CB 3.44Å; N762-K766 VanDerWaalsContact O-CG 3.28Å; N762-K766 WeakPolarHBondContact O-CG 3.32Å; N762-K766 PolarHBondContact O-N 3.35Å; I763-K766 PolarHBondContact O-N 3.25Å; K766-A769 PolarHBondContact O-N 3.07Å; K766-L770 WeakPolarHBondContact O-CB 3.31Å; K766-L770 PolarHBondContact O-N 2.84Å
767A73.2Confident68.4Low49 Ų4990.7 Ų90.741%0.40548%0.483SS..Hα-helixtrans-63.8-43.8175.400000111.3I763 L770 E771I763-A767 VanDerWaalsContact O-CB 3.28Å; I763-A767 WeakPolarHBondContact O-CB 3.48Å; I763-A767 PolarHBondContact O-N 3.42Å; A767-L770 PolarHBondContact O-N 3.19Å; A767-E771 WeakPolarHBondContact O-CB 3.4Å; A767-E771 WeakPolarHBondContact O-CG 3.42Å; A767-E771 PolarHBondContact O-N 2.98Å
768R75.9Confident68.7Low170 Ų17092.4 Ų92.464%0.64249%0.493SS*.Hα-helixtrans-62.5-41.3173.3-105.1-176.5-88.8168.9-8.4112.4T764 E765 L770 E771 A772T764-R768 WeakPolarHBondContact O-CB 3.24Å; T764-R768 PolarHBondContact O-N 3.12Å; E765-R768 PolarHBondContact O-N 3.3Å; R768-L770 VanDerWaalsContact C-N 3.32Å; R768-E771 PolarHBondContact O-N 3.27Å; R768-A772 VanDerWaalsContact O-CB 3.29Å; R768-A772 WeakPolarHBondContact O-CB 3.1Å; R768-A772 PolarHBondContact O-N 3.38Å
769A73.9Confident69Low62 Ų6295.2 Ų95.251%0.51251%0.505SS..Hα-helixtrans-64.6-38176.100000111.7E765 K766 A772 A773E765-A769 WeakPolarHBondContact O-CB 3.37Å; E765-A769 PolarHBondContact O-N 3.34Å; K766-A769 PolarHBondContact O-N 3.07Å; A769-A772 PolarHBondContact O-N 2.8Å; A769-A773 WeakPolarHBondContact O-CB 3.34Å; A769-A773 PolarHBondContact O-N 3.14Å
770L72.4Confident69.7Low118 Ų11898.1 Ų98.162%0.61852%0.523SS*.Hα-helixtrans-71.1-41.8176.5-152.6113.2000112K766 A767 R768 A772 A773 L774K766-L770 WeakPolarHBondContact O-CB 3.31Å; K766-L770 PolarHBondContact O-N 2.84Å; A767-L770 PolarHBondContact O-N 3.19Å; R768-L770 VanDerWaalsContact C-N 3.32Å; L770-A772 VanDerWaalsContact C-N 3.32Å; L770-A772 PolarHBondContact O-N 3.13Å; L770-A773 PolarHBondContact O-N 3.14Å; L770-L774 HydrophobicContact CD2-CD1 3.9Å; L770-L774 WeakPolarHBondContact O-CB 3.27Å; L770-L774 WeakPolarHBondContact O-CD1 3.46Å; L770-L774 WeakPolarHBondContact O-CG 3.34Å; L770-L774 PolarHBondContact O-N 3.02Å
771E76.5Confident70.1Confident112 Ų11298.2 Ų98.252%0.52353%0.528SS..Hα-helixtrans-62.7-37.8172.4-79.3-174.7175.800112.3A767 R768 L774 K775A767-E771 WeakPolarHBondContact O-CB 3.4Å; A767-E771 WeakPolarHBondContact O-CG 3.42Å; A767-E771 PolarHBondContact O-N 2.98Å; R768-E771 PolarHBondContact O-N 3.27Å; E771-L774 PolarHBondContact O-N 2.97Å; E771-K775 WeakPolarHBondContact O-CG 3.48Å; E771-K775 PolarHBondContact O-N 3.31Å
772A74.1Confident70.2Confident56 Ų56100.2 Ų100.246%0.46354%0.543SS..Hα-helixtrans-66-42.2174.200000111.2R768 A769 L770 L774 K775 T776R768-A772 VanDerWaalsContact O-CB 3.29Å; R768-A772 WeakPolarHBondContact O-CB 3.1Å; R768-A772 PolarHBondContact O-N 3.38Å; A769-A772 PolarHBondContact O-N 2.8Å; L770-A772 VanDerWaalsContact C-N 3.32Å; L770-A772 PolarHBondContact O-N 3.13Å; A772-L774 VanDerWaalsContact C-N 3.3Å; A772-L774 PolarHBondContact O-N 3.47Å; A772-K775 PolarHBondContact O-N 3.38Å; A772-T776 PolarHBondContact O-N 2.83Å; A772-T776 PolarHBondContact O-OG1 3.04Å
773A70.9Confident70.5Confident63 Ų63102.9 Ų102.952%0.52156%0.558SS.*Hα-helixtrans-69.9-21.9176.400000114A769 L770 T776A769-A773 WeakPolarHBondContact O-CB 3.34Å; A769-A773 PolarHBondContact O-N 3.14Å; L770-A773 PolarHBondContact O-N 3.14Å; A773-T776 PolarHBondContact O-OG1 2.87Å
774L69.9Low70.6Confident133 Ų133104.2 Ų104.270%0.69657%0.567SS**Hα-helixtrans-85.5-17.7173.9-79.7160.1000113.2L770 E771 A772L770-L774 HydrophobicContact CD2-CD1 3.9Å; L770-L774 WeakPolarHBondContact O-CB 3.27Å; L770-L774 WeakPolarHBondContact O-CD1 3.46Å; L770-L774 WeakPolarHBondContact O-CG 3.34Å; L770-L774 PolarHBondContact O-N 3.02Å; E771-L774 PolarHBondContact O-N 2.97Å; A772-L774 VanDerWaalsContact C-N 3.3Å; A772-L774 PolarHBondContact O-N 3.47Å
775K66.7Low70.5Confident181 Ų181108.7 Ų108.779%0.78759%0.588SS**Hα-helixtrans-93.2-14.1178.1-80.2176.6178.2170.30113.6E771 A772E771-K775 WeakPolarHBondContact O-CG 3.48Å; E771-K775 PolarHBondContact O-N 3.31Å; A772-K775 PolarHBondContact O-N 3.38Å
776T48.6Very low70.2Confident166 Ų166110 Ų110100%1.01860%0.602SS**  trans-95.20167.852.10000109.9A772 A773A772-T776 PolarHBondContact O-N 2.83Å; A772-T776 PolarHBondContact O-OG1 3.04Å; A773-T776 PolarHBondContact O-OG1 2.87Å

Retrieved 776 of 776 residues in 2063.6 ms (Link to these results)

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