A0A077ZAW5_TRITR Loading...

Mitochondrial chaperonin hsp60

AlphaFold DB (P0A6F5), UniProt , Accession A0A077ZAW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 548 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
1M63.3Low87.6Confident242 Ų24288.3 Ų88.3100%1.19248%0.477SS*.  0135.80-72.5-175.2-115.200107.7
2A81.8Confident87.8Confident54 Ų5481 Ų8145%0.44644%0.438SS..  trans-64146.1172.600000109.8
3A89.6Confident88Confident62 Ų6276.9 Ų76.951%0.51241%0.412SS..  trans-58.7154.3171.800000110.2L524A3-L524 HydrophobicContact CB-CB 4.06Å; A3-L524 HydrophobicContact CB-CD2 3.83Å; A3-L524 WeakPolarHBondContact O-CB 3.43Å; A3-L524 PolarHBondContact O-N 2.75Å
4K92.6Very high88.3Confident116 Ų11677.3 Ų77.350%0.50442%0.418SS..EExtended strand (participates in β ladder)trans-107.6139.7179.2-59.2-62.3-173.8173.30110.1V6 V521 T522 D523K4-V6 HydrophobicContact CB-CG2 4.31Å; K4-V521 HydrophobicContact CB-CG1 3.99Å; K4-V521 HydrophobicContact CD-CG1 4.29Å; K4-V521 HydrophobicContact CG-CG1 4.15Å; K4-T522 CarbonylContact C-O 3.58Å; K4-T522 VanDerWaalsContact CA-O 3.23Å; K4-T522 WeakPolarHBondContact CA-O 3.36Å; K4-D523 WeakPolarHBondContact CE-OD1 3.03Å; K4-D523 IonicContact NZ-OD1 3.68Å; K4-D523 PolarHBondContact NZ-OD1 3.35Å
5D91.9Very high88.7Confident41 Ų4176.1 Ų76.122%0.21941%0.408CS..EExtended strand (participates in β ladder)trans-90.5130.3162.3-170.2-4.5000107.9K7 F66 T522 L524D5-K7 IonicContact OD1-NZ 2.69Å; D5-K7 IonicContact OD2-NZ 3.88Å; D5-F66 HydrophobicContact CB-CE2 4.16Å; D5-F66 HydrophobicContact CB-CZ 3.96Å; D5-F66 WeakPolarHBondContact OD2-CE2 3.07Å; D5-T522 HydrophobicContact CB-CG2 3.97Å; D5-T522 PolarHBondContact N-O 3.36Å; D5-T522 PolarHBondContact O-N 2.81Å; D5-L524 HydrophobicContact CB-CD1 3.97Å
6V94Very high89Confident55 Ų5571.8 Ų71.833%0.33338%0.384SS..EExtended strand (participates in β ladder)trans-127.5125-175.5-171.70000108.6K4 F8 C519 M520 V521K4-V6 HydrophobicContact CB-CG2 4.31Å; V6-F8 HydrophobicContact CB-CE2 4.15Å; V6-F8 HydrophobicContact CB-CZ 4.39Å; V6-F8 HydrophobicContact CG1-CD2 4.21Å; V6-F8 HydrophobicContact CG1-CE1 4.03Å; V6-F8 HydrophobicContact CG1-CE2 3.45Å; V6-F8 VanDerWaalsContact CG1-CE2 3.45Å; V6-F8 HydrophobicContact CG1-CZ 3.35Å; V6-C519 VanDerWaalsContact CG1-SG 3.53Å; V6-M520 WeakPolarHBondContact CA-O 3.14Å; V6-V521 HydrophobicContact CG1-CG2 4.05Å; V6-V521 HydrophobicContact CG2-CG1 4.28Å; V6-V521 HydrophobicContact CG2-CG2 4.24Å
7K93.4Very high89.4Confident49 Ų4969.8 Ų69.821%0.21337%0.373CS..EExtended strand (participates in β ladder)trans-119.2142.7175.8-67.5-170-172.6-48.80110.3D5 A12 K15 F66 C519 M520D5-K7 IonicContact OD1-NZ 2.69Å; D5-K7 IonicContact OD2-NZ 3.88Å; K7-A12 HydrophobicContact CB-CB 3.89Å; K7-K15 HydrophobicContact CD-CD 4.07Å; K7-F66 HydrophobicContact CB-CD1 4.3Å; K7-F66 HydrophobicContact CB-CE1 3.82Å; K7-F66 HydrophobicContact CB-CZ 4.2Å; K7-F66 HydrophobicContact CD-CD1 4.11Å; K7-F66 HydrophobicContact CD-CD2 3.96Å; K7-F66 HydrophobicContact CD-CE1 3.98Å; K7-F66 HydrophobicContact CD-CE2 3.83Å; K7-F66 HydrophobicContact CD-CG 4.09Å; K7-F66 HydrophobicContact CD-CZ 3.82Å; K7-F66 VanDerWaalsContact CE-CE2 3.42Å; K7-F66 HydrophobicContact CG-CD1 4.3Å; K7-F66 HydrophobicContact CG-CE1 3.72Å; K7-F66 HydrophobicContact CG-CE2 4.09Å; K7-F66 HydrophobicContact CG-CZ 3.59Å; K7-C519 WeakPolarHBondContact O-CA 3.3Å; K7-M520 PolarHBondContact N-O 3.16Å; K7-M520 PolarHBondContact O-N 3.38Å
8F93.5Very high89.8Confident136 Ų13674.4 Ų74.460%0.59638%0.384SS*.EExtended strand (participates in β ladder)trans-122153.2-175.5-61.9-86.5000111.4V6 N10 D11 E518 C519V6-F8 HydrophobicContact CB-CE2 4.15Å; V6-F8 HydrophobicContact CB-CZ 4.39Å; V6-F8 HydrophobicContact CG1-CD2 4.21Å; V6-F8 HydrophobicContact CG1-CE1 4.03Å; V6-F8 HydrophobicContact CG1-CE2 3.45Å; V6-F8 VanDerWaalsContact CG1-CE2 3.45Å; V6-F8 HydrophobicContact CG1-CZ 3.35Å; F8-N10 PolarHBondContact O-N 3.23Å; F8-D11 PolarHBondContact O-N 3.08Å; F8-E518 CarbonylContact C-O 3.5Å; F8-E518 VanDerWaalsContact CA-O 3.29Å; F8-E518 WeakPolarHBondContact CA-O 3.16Å; F8-C519 HydrophobicContact CD1-CB 3.93Å; F8-C519 HydrophobicContact CE1-CB 4.08Å; F8-C519 WeakPolarHBondContact CE1-SG 3.28Å
9G88.3Confident90.1Very high14 Ų1470.5 Ų70.514%0.14436%0.364CS..Hα-helixtrans51.9-126.5168.700000113.6D11 A12 R13 E518G9-D11 PolarHBondContact O-N 3.02Å; G9-A12 PolarHBondContact O-N 3.17Å; G9-R13 WeakPolarHBondContact O-CG 3.46Å; G9-R13 PolarHBondContact O-N 3.4Å; G9-R13 VanDerWaalsContact O-N 3.11Å; G9-E518 PolarHBondContact N-O 3.14Å
10N87.1Confident90.5Very high86 Ų8667 Ų6746%0.4635%0.346SS..Hα-helixtrans-64.1-41.9-172.3-16759.6000113.5F8 A12 R13 V14F8-N10 PolarHBondContact O-N 3.23Å; N10-A12 VanDerWaalsContact C-N 3.26Å; N10-A12 PolarHBondContact O-N 3.23Å; N10-R13 PolarHBondContact O-N 3.17Å; N10-R13 VanDerWaalsContact O-N 3.14Å; N10-V14 WeakPolarHBondContact O-CG2 3.35Å; N10-V14 PolarHBondContact O-N 3.03Å
11D87.7Confident90.9Very high116 Ų11665.9 Ų65.962%0.6234%0.341SS*.Hα-helixtrans-62.9-36.9-178.5-69.6-10.5000111.8F8 G9 K15F8-D11 PolarHBondContact O-N 3.08Å; G9-D11 PolarHBondContact O-N 3.02Å; D11-K15 PolarHBondContact O-N 3.4Å
12A90.6Very high92.5Very high1 Ų157.3 Ų57.31%0.00830%0.302CS..Hα-helixtrans-65.2-5017300000110.9K7 G9 N10 V14 K15 M16 M520K7-A12 HydrophobicContact CB-CB 3.89Å; G9-A12 PolarHBondContact O-N 3.17Å; N10-A12 VanDerWaalsContact C-N 3.26Å; N10-A12 PolarHBondContact O-N 3.23Å; A12-V14 PolarHBondContact O-N 3.33Å; A12-K15 PolarHBondContact O-N 3.3Å; A12-M16 WeakPolarHBondContact O-CB 3.43Å; A12-M16 PolarHBondContact O-N 3.02Å; A12-M520 HydrophobicContact CB-CB 4.42Å; A12-M520 HydrophobicContact CB-CG 4.01Å; A12-M520 HydrophobicContact CB-SD 3.74Å; A12-M520 VanDerWaalsContact O-SD 3.39Å
13R90.6Very high93.2Very high28 Ų2854.7 Ų54.711%0.10628%0.281CS..Hα-helixtrans-64.1-38.1-176.7-70.3-175.7-64.3-1300.1113.4G9 N10 M16 L17 L104 V107 E518G9-R13 WeakPolarHBondContact O-CG 3.46Å; G9-R13 PolarHBondContact O-N 3.4Å; G9-R13 VanDerWaalsContact O-N 3.11Å; N10-R13 PolarHBondContact O-N 3.17Å; N10-R13 VanDerWaalsContact O-N 3.14Å; R13-M16 HydrophobicContact CG-CE 4.4Å; R13-M16 PolarHBondContact O-N 2.62Å; R13-L17 VanDerWaalsContact O-CB 3.28Å; R13-L17 WeakPolarHBondContact O-CB 3.16Å; R13-L17 PolarHBondContact O-N 3.21Å; R13-L104 HydrophobicContact CB-CD2 4.05Å; R13-L104 HydrophobicContact CG-CD2 4Å; R13-V107 VanDerWaalsContact CZ-CG1 3.45Å; R13-E518 IonicContact CZ-OE1 2.69Å; R13-E518 IonicContact NH1-OE1 3.72Å; R13-E518 PolarHBondContact NH1-OE1 2.69Å; R13-E518 IonicContact NH1-OE2 2.82Å; R13-E518 PolarHBondContact NH1-OE2 2.64Å
14V92.2Very high93.6Very high82 Ų8251.8 Ų51.850%0.49726%0.256SS..Hα-helixtrans-63.8-45.9177.6170.10000111.2N10 A12 L17 R18N10-V14 WeakPolarHBondContact O-CG2 3.35Å; N10-V14 PolarHBondContact O-N 3.03Å; A12-V14 PolarHBondContact O-N 3.33Å; V14-L17 PolarHBondContact O-N 3.06Å; V14-R18 PolarHBondContact O-N 3.42Å
15K93.7Very high93.9Very high60 Ų6049.4 Ų49.426%0.26125%0.249SC..Hα-helixtrans-64.5-45.9176.3-74.7-160.7171.4-155.70111.7K7 D11 A12 L17 R18 G19 D64 F66 E67K7-K15 HydrophobicContact CD-CD 4.07Å; D11-K15 PolarHBondContact O-N 3.4Å; A12-K15 PolarHBondContact O-N 3.3Å; K15-L17 VanDerWaalsContact C-N 3.33Å; K15-L17 PolarHBondContact O-N 3.15Å; K15-R18 WeakPolarHBondContact O-CB 3.33Å; K15-R18 PolarHBondContact O-N 2.93Å; K15-R18 VanDerWaalsContact O-N 3.12Å; K15-G19 PolarHBondContact O-N 3.16Å; K15-D64 IonicContact NZ-OD1 3.95Å; K15-D64 IonicContact NZ-OD2 3.83Å; K15-D64 PolarHBondContact NZ-OD2 3.28Å; K15-F66 HydrophobicContact CB-CB 3.88Å; K15-F66 HydrophobicContact CD-CB 3.82Å; K15-F66 HydrophobicContact CD-CD2 4.26Å; K15-F66 HydrophobicContact CD-CG 4.26Å; K15-E67 HydrophobicContact CB-CG 4.27Å; K15-E67 WeakPolarHBondContact O-CA 3.4Å; K15-E67 WeakPolarHBondContact O-CG 3.26Å
16M93.9Very high94.1Very high6 Ų649 Ų493%0.0325%0.251CS..Hα-helixtrans-57.3-46.1176.8-172.117460.700111.8A12 R13 R18 G19 V20 M514 M520A12-M16 WeakPolarHBondContact O-CB 3.43Å; A12-M16 PolarHBondContact O-N 3.02Å; R13-M16 HydrophobicContact CG-CE 4.4Å; R13-M16 PolarHBondContact O-N 2.62Å; M16-R18 VanDerWaalsContact C-N 3.3Å; M16-R18 PolarHBondContact O-N 2.86Å; M16-G19 PolarHBondContact O-N 3.35Å; M16-V20 WeakPolarHBondContact O-CG2 3.18Å; M16-V20 PolarHBondContact O-N 3.4Å; M16-M514 HydrophobicContact CE-CB 3.93Å; M16-M514 HydrophobicContact CE-CE 4.19Å; M16-M514 WeakPolarHBondContact CE-O 3.44Å; M16-M514 HydrophobicContact CG-CE 3.44Å; M16-M514 VanDerWaalsContact CG-CE 3.44Å; M16-M514 HydrophobicContact SD-CB 4.29Å; M16-M514 HydrophobicContact SD-CE 3.59Å; M16-M514 VanDerWaalsContact SD-CE 3.59Å; M16-M514 HydrophobicContact SD-CG 4.29Å; M16-M520 HydrophobicContact CB-CE 3.92Å; M16-M520 HydrophobicContact CB-SD 3.89Å; M16-M520 HydrophobicContact CG-CE 4.14Å; M16-M520 HydrophobicContact CG-SD 4.44Å; M16-M520 HydrophobicContact SD-CE 4.31Å; M16-M520 HydrophobicContact SD-SD 4.28Å
17L95Very high94.2Very high38 Ų3846.3 Ų46.320%0.19924%0.235CC..Hα-helixtrans-62.6-35.5177178.359000112.4R13 V14 K15 G19 V20 N21 I100 L104R13-L17 VanDerWaalsContact O-CB 3.28Å; R13-L17 WeakPolarHBondContact O-CB 3.16Å; R13-L17 PolarHBondContact O-N 3.21Å; V14-L17 PolarHBondContact O-N 3.06Å; K15-L17 VanDerWaalsContact C-N 3.33Å; K15-L17 PolarHBondContact O-N 3.15Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.47Å; L17-V20 HydrophobicContact CD1-CB 4.47Å; L17-V20 HydrophobicContact CD1-CG1 4.42Å; L17-V20 WeakPolarHBondContact O-CB 3.29Å; L17-V20 PolarHBondContact O-N 3.5Å; L17-N21 WeakPolarHBondContact O-CB 3.49Å; L17-N21 VanDerWaalsContact O-CG 3.31Å; L17-N21 PolarHBondContact O-N 3.42Å; L17-N21 PolarHBondContact O-ND2 2.85Å; L17-I100 HydrophobicContact CD1-CG2 4.04Å; L17-L104 HydrophobicContact CB-CD1 3.79Å; L17-L104 HydrophobicContact CD1-CD1 4.16Å; L17-L104 HydrophobicContact CD2-CD1 4.01Å; L17-L104 HydrophobicContact CG-CD1 4.19Å
18R96.6Very high94.4Very high153 Ų15346 Ų4658%0.57723%0.234SC*.Hα-helixtrans-61-45.1175.4-175.5163.9176.8-149.99.4111.4V14 K15 M16 N21 V22 E67V14-R18 PolarHBondContact O-N 3.42Å; K15-R18 WeakPolarHBondContact O-CB 3.33Å; K15-R18 PolarHBondContact O-N 2.93Å; K15-R18 VanDerWaalsContact O-N 3.12Å; M16-R18 VanDerWaalsContact C-N 3.3Å; M16-R18 PolarHBondContact O-N 2.86Å; R18-N21 PolarHBondContact O-N 2.96Å; R18-V22 WeakPolarHBondContact O-CG2 3.4Å; R18-V22 PolarHBondContact O-N 2.76Å; R18-E67 HydrophobicContact CB-CG 4.29Å; R18-E67 VanDerWaalsContact CD-OE1 3.28Å; R18-E67 WeakPolarHBondContact CD-OE1 3.31Å; R18-E67 HydrophobicContact CG-CG 4.48Å; R18-E67 IonicContact CZ-OE1 2.8Å; R18-E67 IonicContact CZ-OE2 3.94Å; R18-E67 IonicContact NE-OE1 3.89Å; R18-E67 IonicContact NE-OE2 2.64Å; R18-E67 IonicContact NH1-OE1 3.71Å; R18-E67 PolarHBondContact NH1-OE1 3.22Å; R18-E67 IonicContact NH1-OE2 2.64Å
19G96.9Very high94.5Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-65.3-40.4175.500000114.1K15 M16 L17 N21 V22 L23 E67K15-G19 PolarHBondContact O-N 3.16Å; M16-G19 PolarHBondContact O-N 3.35Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.47Å; G19-N21 VanDerWaalsContact C-N 3.29Å; G19-N21 PolarHBondContact O-N 2.89Å; G19-V22 PolarHBondContact O-N 3.13Å; G19-L23 PolarHBondContact O-N 2.83Å; G19-L23 VanDerWaalsContact O-N 3.14Å; G19-E67 VanDerWaalsContact CA-O 3.28Å; G19-E67 WeakPolarHBondContact CA-O 3.39Å
20V97.4Very high94.8Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-53.5-49.2170.8166.60000110.5M16 L17 A24 V74 Q97 I100 M514M16-V20 WeakPolarHBondContact O-CG2 3.18Å; M16-V20 PolarHBondContact O-N 3.4Å; L17-V20 HydrophobicContact CD1-CB 4.47Å; L17-V20 HydrophobicContact CD1-CG1 4.42Å; L17-V20 WeakPolarHBondContact O-CB 3.29Å; L17-V20 PolarHBondContact O-N 3.5Å; V20-A24 WeakPolarHBondContact O-CB 3.29Å; V20-A24 PolarHBondContact O-N 3.22Å; V20-V74 HydrophobicContact CB-CG2 4.1Å; V20-V74 HydrophobicContact CG1-CG2 3.9Å; V20-V74 HydrophobicContact CG2-CG2 3.76Å; V20-Q97 HydrophobicContact CG1-CB 4.48Å; V20-Q97 HydrophobicContact CG1-CG 4.37Å; V20-I100 HydrophobicContact CG1-CD1 3.92Å; V20-I100 HydrophobicContact CG2-CD1 4.06Å; V20-M514 HydrophobicContact CG2-CE 3.23Å; V20-M514 HydrophobicContact CG2-SD 4.24Å
21N98Very high95.2Very high44 Ų4438.2 Ų38.224%0.23520%0.197CC..Hα-helixtrans-67.1-42.8-178-73.2-25.9000112L17 R18 G19 L23 A24 D25 Q97L17-N21 WeakPolarHBondContact O-CB 3.49Å; L17-N21 VanDerWaalsContact O-CG 3.31Å; L17-N21 PolarHBondContact O-N 3.42Å; L17-N21 PolarHBondContact O-ND2 2.85Å; R18-N21 PolarHBondContact O-N 2.96Å; G19-N21 VanDerWaalsContact C-N 3.29Å; G19-N21 PolarHBondContact O-N 2.89Å; N21-L23 VanDerWaalsContact C-N 3.35Å; N21-L23 PolarHBondContact O-N 3.15Å; N21-A24 PolarHBondContact O-N 3.26Å; N21-D25 WeakPolarHBondContact O-CA 3.49Å; N21-D25 WeakPolarHBondContact O-CB 3.24Å; N21-D25 PolarHBondContact O-N 2.96Å; N21-Q97 PolarHBondContact OD1-NE2 3.3Å
22V97.9Very high95.4Very high62 Ų6233.8 Ų33.838%0.37618%0.178SC..Hα-helixtrans-58-48.1178.1172.10000111.2R18 G19 A26 L62R18-V22 WeakPolarHBondContact O-CG2 3.4Å; R18-V22 PolarHBondContact O-N 2.76Å; G19-V22 PolarHBondContact O-N 3.13Å; V22-A26 WeakPolarHBondContact O-CB 3.33Å; V22-A26 PolarHBondContact O-N 3.01Å; V22-L62 HydrophobicContact CB-CD1 4.31Å; V22-L62 HydrophobicContact CG1-CD1 4.44Å; V22-L62 HydrophobicContact CG1-CD2 3.81Å
23L97.3Very high95.4Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-67.5-48.8178.7-174.9154.2000111.7G19 N21 D25 A26 V27 A57 I60 A71 V74 K75 T93G19-L23 PolarHBondContact O-N 2.83Å; G19-L23 VanDerWaalsContact O-N 3.14Å; N21-L23 VanDerWaalsContact C-N 3.35Å; N21-L23 PolarHBondContact O-N 3.15Å; L23-D25 VanDerWaalsContact C-N 3.32Å; L23-D25 PolarHBondContact O-N 3.43Å; L23-A26 PolarHBondContact O-N 3.42Å; L23-V27 HydrophobicContact CD2-CG2 3.93Å; L23-V27 WeakPolarHBondContact O-CG2 3.16Å; L23-V27 PolarHBondContact O-N 3.49Å; L23-A57 HydrophobicContact CD1-CB 4.16Å; L23-A57 HydrophobicContact CD2-CB 4.01Å; L23-A57 HydrophobicContact CG-CB 4.34Å; L23-I60 HydrophobicContact CB-CD1 4.36Å; L23-I60 HydrophobicContact CB-CG2 4.2Å; L23-I60 HydrophobicContact CD1-CB 4.26Å; L23-I60 HydrophobicContact CD1-CG2 4.4Å; L23-I60 HydrophobicContact CG-CB 4.42Å; L23-I60 HydrophobicContact CG-CD1 4.08Å; L23-I60 HydrophobicContact CG-CG2 4.45Å; L23-A71 HydrophobicContact CB-CB 4.14Å; L23-A71 HydrophobicContact CD1-CB 4.1Å; L23-A71 VanDerWaalsContact CD1-O 3.29Å; L23-A71 WeakPolarHBondContact CD1-O 3.16Å; L23-V74 HydrophobicContact CD2-CB 4Å; L23-V74 HydrophobicContact CD2-CG1 3.61Å; L23-K75 HydrophobicContact CD1-CB 4.06Å; L23-T93 HydrophobicContact CD2-CG2 4.06Å
24A97.7Very high95.5Very high0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-65-36.5-177.400000112.4V20 N21 A26 V27 K28 T93 Q97V20-A24 WeakPolarHBondContact O-CB 3.29Å; V20-A24 PolarHBondContact O-N 3.22Å; N21-A24 PolarHBondContact O-N 3.26Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-V27 PolarHBondContact O-N 2.94Å; A24-K28 WeakPolarHBondContact O-CB 3.38Å; A24-K28 WeakPolarHBondContact O-CD 3.3Å; A24-K28 VanDerWaalsContact O-CG 3.22Å; A24-K28 WeakPolarHBondContact O-CG 3.46Å; A24-K28 PolarHBondContact O-N 3.15Å; A24-T93 HydrophobicContact CB-CG2 3.71Å; A24-Q97 HydrophobicContact CB-CB 3.7Å; A24-Q97 VanDerWaalsContact CB-CD 3.41Å; A24-Q97 HydrophobicContact CB-CG 3.83Å
25D97.8Very high95.5Very high67 Ų6734.8 Ų34.836%0.35818%0.183SC..Hα-helixtrans-66.8-34.9176.4-67.5-11.7000111.7N21 L23 K28 V29 Q97N21-D25 WeakPolarHBondContact O-CA 3.49Å; N21-D25 WeakPolarHBondContact O-CB 3.24Å; N21-D25 PolarHBondContact O-N 2.96Å; L23-D25 VanDerWaalsContact C-N 3.32Å; L23-D25 PolarHBondContact O-N 3.43Å; D25-K28 WeakPolarHBondContact OD1-CE 3.23Å; D25-K28 IonicContact OD1-NZ 3.45Å; D25-K28 PolarHBondContact OD1-NZ 3.18Å; D25-V29 WeakPolarHBondContact O-CG1 3.3Å; D25-Q97 PolarHBondContact OD1-NE2 3.19Å
26A97.1Very high95.4Very high31 Ų3140.3 Ų40.326%0.25620%0.202SC..Hα-helixtrans-71.6-35.2173.800000112.9V22 L23 A24 V29 V38 V56 I60V22-A26 WeakPolarHBondContact O-CB 3.33Å; V22-A26 PolarHBondContact O-N 3.01Å; L23-A26 PolarHBondContact O-N 3.42Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A26-V29 VanDerWaalsContact O-CG2 3.31Å; A26-V29 WeakPolarHBondContact O-CG2 3.41Å; A26-V38 WeakPolarHBondContact O-CG2 3.34Å; A26-V56 HydrophobicContact CB-CG1 4.15Å; A26-I60 HydrophobicContact CB-CD1 3.46Å; A26-I60 VanDerWaalsContact CB-CD1 3.46Å
27V96.5Very high95.2Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-78.8-44.6180169.10000111.4L23 A24 V29 T30 V56 A57 T90 T93L23-V27 HydrophobicContact CD2-CG2 3.93Å; L23-V27 WeakPolarHBondContact O-CG2 3.16Å; L23-V27 PolarHBondContact O-N 3.49Å; A24-V27 PolarHBondContact O-N 2.94Å; V27-V29 PolarHBondContact O-N 3.45Å; V27-V29 VanDerWaalsContact O-N 3.1Å; V27-T30 PolarHBondContact O-N 3.33Å; V27-T30 PolarHBondContact O-OG1 2.93Å; V27-T30 VanDerWaalsContact O-OG1 3.05Å; V27-V56 HydrophobicContact CG2-CB 4.08Å; V27-V56 HydrophobicContact CG2-CG1 3.88Å; V27-A57 HydrophobicContact CG2-CB 4.05Å; V27-T90 HydrophobicContact CG1-CG2 3.8Å; V27-T90 WeakPolarHBondContact O-CG2 3.42Å; V27-T93 HydrophobicContact CB-CG2 3.94Å; V27-T93 HydrophobicContact CG1-CG2 3.88Å; V27-T93 HydrophobicContact CG2-CG2 4.42Å
28K97.1Very high95.1Very high42 Ų4243.8 Ų43.818%0.18322%0.222CC..Hα-helixtrans-67-17.5-169.977.2-168.2-166.7-174.10115A24 D25 T30 L31 V94 Q453 N457A24-K28 WeakPolarHBondContact O-CB 3.38Å; A24-K28 WeakPolarHBondContact O-CD 3.3Å; A24-K28 VanDerWaalsContact O-CG 3.22Å; A24-K28 WeakPolarHBondContact O-CG 3.46Å; A24-K28 PolarHBondContact O-N 3.15Å; D25-K28 WeakPolarHBondContact OD1-CE 3.23Å; D25-K28 IonicContact OD1-NZ 3.45Å; D25-K28 PolarHBondContact OD1-NZ 3.18Å; K28-T30 PolarHBondContact O-N 3.26Å; K28-L31 PolarHBondContact O-N 3.05Å; K28-V94 HydrophobicContact CB-CG2 3.52Å; K28-Q453 HydrophobicContact CB-CG 3.96Å; K28-Q453 VanDerWaalsContact CD-OE1 3.31Å; K28-Q453 HydrophobicContact CG-CG 4.35Å; K28-N457 PolarHBondContact O-ND2 3.13Å
29V96.2Very high94.9Very high48 Ų4841.1 Ų41.129%0.29122%0.222SC..THydrogen-bonded Turntrans-65-19.7173.4-60.50000112.4D25 A26 V27 G35 R36 V38D25-V29 WeakPolarHBondContact O-CG1 3.3Å; A26-V29 VanDerWaalsContact O-CG2 3.31Å; A26-V29 WeakPolarHBondContact O-CG2 3.41Å; V27-V29 PolarHBondContact O-N 3.45Å; V27-V29 VanDerWaalsContact O-N 3.1Å; V29-G35 CarbonylContact O-C 3.59Å; V29-G35 WeakPolarHBondContact O-CA 3.47Å; V29-R36 PolarHBondContact O-N 3.04Å; V29-V38 HydrophobicContact CG2-CG2 3.76Å
30T93.9Very high94.5Very high7 Ų741.9 Ų41.94%0.04323%0.226CC..THydrogen-bonded Turntrans-84.7-10.9179.478.30000113.3V27 K28 R36 V38 K51 T90V27-T30 PolarHBondContact O-N 3.33Å; V27-T30 PolarHBondContact O-OG1 2.93Å; V27-T30 VanDerWaalsContact O-OG1 3.05Å; K28-T30 PolarHBondContact O-N 3.26Å; T30-R36 WeakPolarHBondContact CG2-O 3.48Å; T30-V38 HydrophobicContact CG2-CG2 3.83Å; T30-K51 WeakPolarHBondContact CB-O 3.36Å; T30-K51 PolarHBondContact OG1-O 3.5Å; T30-T90 PolarHBondContact OG1-OG1 3.34Å
31L94.9Very high94.1Very high18 Ų1848.2 Ų48.29%0.09426%0.26CS..  trans-73.7131.3-172.5-165.662.4000113.2K28 T90 V94 Q453 I454 N457K28-L31 PolarHBondContact O-N 3.05Å; L31-T90 HydrophobicContact CB-CG2 3.61Å; L31-T90 HydrophobicContact CD1-CG2 3.81Å; L31-T90 HydrophobicContact CG-CG2 4.17Å; L31-V94 HydrophobicContact CD2-CG2 4.16Å; L31-Q453 HydrophobicContact CB-CG 4.42Å; L31-Q453 HydrophobicContact CD2-CB 4.08Å; L31-Q453 HydrophobicContact CD2-CG 4.07Å; L31-I454 HydrophobicContact CD2-CG1 3.98Å; L31-I454 HydrophobicContact CG-CD1 4.47Å; L31-I454 HydrophobicContact CG-CG1 3.82Å; L31-N457 PolarHBondContact O-ND2 3.29Å
32G93Very high93.3Very high22 Ų2249.2 Ų49.223%0.22726%0.263CS..SBendtrans89.8174.717200000114.5K34 G35G32-K34 VanDerWaalsContact C-N 3.33Å; G32-K34 PolarHBondContact O-N 3.36Å; G32-G35 WeakPolarHBondContact O-CA 3.29Å; G32-G35 PolarHBondContact O-N 2.76Å
33P90.8Very high92.4Very high50 Ų5052 Ų5233%0.32528%0.284SS..THydrogen-bonded Turntrans-65.1-33.1-170.824.6-34.2000113.5G35 A480 A481P33-G35 VanDerWaalsContact C-N 3.31Å; P33-A480 HydrophobicContact CG-CB 3.92Å; P33-A481 HydrophobicContact CB-CB 3.94Å; P33-A481 HydrophobicContact CG-CB 4Å
34K92.1Very high91.5Very high77 Ų7761.2 Ų61.234%0.33533%0.325SS..THydrogen-bonded Turntrans-93.417.2173-54.9-171.6-170.2175.30112.8G32 C458 A480 E483G32-K34 VanDerWaalsContact C-N 3.33Å; G32-K34 PolarHBondContact O-N 3.36Å; K34-C458 HydrophobicContact CD-CB 3.91Å; K34-C458 HydrophobicContact CG-CB 4.5Å; K34-A480 WeakPolarHBondContact CE-O 3.46Å; K34-E483 IonicContact NZ-OE1 3.58Å; K34-E483 PolarHBondContact NZ-OE1 3.05Å
35G91.1Very high90.6Very high5 Ų564.8 Ų64.85%0.05236%0.362CS..PPolyproline II helixtrans-59.5142.8174.400000112.1V29 G32 P33 K51V29-G35 CarbonylContact O-C 3.59Å; V29-G35 WeakPolarHBondContact O-CA 3.47Å; G32-G35 WeakPolarHBondContact O-CA 3.29Å; G32-G35 PolarHBondContact O-N 2.76Å; P33-G35 VanDerWaalsContact C-N 3.31Å; G35-K51 WeakPolarHBondContact O-CE 3.35Å; G35-K51 PolarHBondContact O-NZ 2.76Å
36R92.1Very high89.8Confident177 Ų17764.8 Ų64.867%0.66837%0.371SS*.PPolyproline II helixtrans-98.5156.6-173.9-59.9-179.8-173.21772.4111.2V29 T30V29-R36 PolarHBondContact O-N 3.04Å; T30-R36 WeakPolarHBondContact CG2-O 3.48Å
37N90.6Very high89.2Confident92 Ų9266.4 Ų66.449%0.49238%0.379SS..PPolyproline II helixtrans-77.3149.4176.6-62.5-21.6000111.3I49 K51N37-I49 HydrophobicContact CB-CG2 3.57Å; N37-K51 WeakPolarHBondContact OD1-CE 3.45Å; N37-K51 WeakPolarHBondContact OD1-CG 3.33Å
38V92.7Very high88.6Confident24 Ų2469 Ų6915%0.14540%0.395CS..EExtended strand (participates in β ladder)trans-109.4136.7167.4-179.90000108.5A26 V29 T30 L40 I49 T50 V56A26-V38 WeakPolarHBondContact O-CG2 3.34Å; V29-V38 HydrophobicContact CG2-CG2 3.76Å; T30-V38 HydrophobicContact CG2-CG2 3.83Å; V38-L40 HydrophobicContact CG1-CD2 3.78Å; V38-L40 HydrophobicContact CG1-CG 4.44Å; V38-I49 WeakPolarHBondContact O-CA 3.47Å; V38-T50 PolarHBondContact N-O 2.67Å; V38-T50 PolarHBondContact O-N 3.49Å; V38-V56 HydrophobicContact CB-CG2 3.65Å; V38-V56 HydrophobicContact CG1-CG1 4.05Å; V38-V56 HydrophobicContact CG1-CG2 3.9Å; V38-V56 HydrophobicContact CG2-CG1 4.38Å; V38-V56 HydrophobicContact CG2-CG2 3.89Å
39V91.2Very high88.1Confident97 Ų9770.7 Ų70.759%0.58841%0.405SS*.EExtended strand (participates in β ladder)trans-99.8123.8175-174.70000108.2P47 T48 I49V39-P47 HydrophobicContact CG1-CB 3.83Å; V39-T48 WeakPolarHBondContact CA-O 3.39Å; V39-I49 HydrophobicContact CG2-CG1 4.3Å
40L89.9Confident87.6Confident16 Ų1669 Ų698%0.08440%0.395CS..EExtended strand (participates in β ladder)trans-109119.2-178.8-56.4174.3000108.4V38 P47 T48 T50 E59V38-L40 HydrophobicContact CG1-CD2 3.78Å; V38-L40 HydrophobicContact CG1-CG 4.44Å; L40-P47 CarbonylContact O-C 3.6Å; L40-P47 WeakPolarHBondContact O-CA 3.43Å; L40-T48 PolarHBondContact N-O 2.79Å; L40-T48 PolarHBondContact O-N 2.99Å; L40-T50 HydrophobicContact CD1-CG2 3.49Å; L40-T50 VanDerWaalsContact CD1-CG2 3.49Å; L40-T50 HydrophobicContact CG-CG2 4.18Å; L40-E59 HydrophobicContact CB-CG 4.25Å; L40-E59 HydrophobicContact CD1-CG 3.81Å; L40-E59 HydrophobicContact CD2-CB 4.01Å; L40-E59 HydrophobicContact CD2-CG 4.11Å; L40-E59 HydrophobicContact CG-CG 4.26Å
41D88.4Confident87.3Confident133 Ų13370.9 Ų70.971%0.71140%0.403SS*.  trans-71.5143.8172.3-169.428.8000109.8
42K80.6Confident87Confident66 Ų6671 Ų7129%0.28740%0.404SS..  trans-125.3134.4-178.9-66.9-67.5-176.4174.30108.5F44 E59K42-F44 PolarHBondContact O-N 3.28Å; K42-E59 IonicContact NZ-OE1 2.64Å; K42-E59 PolarHBondContact NZ-OE1 3.23Å
43S80.6Confident86.8Confident119 Ų11970 Ų7083%0.83239%0.393SS*.SBendtrans-57.3-23.9179.5-51.50000113.7
44F78.5Confident86.7Confident194 Ų19467.8 Ų67.885%0.85138%0.379SS*.SBendtrans-139.2136.7174.1-62.4-83.4000109.9K42K42-F44 PolarHBondContact O-N 3.28Å
45G77.2Confident86.5Confident75 Ų7566.1 Ų66.177%0.77338%0.377SS*.SBendtrans93.3-165.8177.900000113.8
46A80.7Confident86.6Confident67 Ų6766 Ų6655%0.55437%0.374SS*.SBendtrans-81.6152.7177.600000111.1
47P84.9Confident86.7Confident66 Ų6657.5 Ų57.543%0.42934%0.343SS..PPolyproline II helixtrans-54.9145.4170.6-23.733.4000111.5V39 L40V39-P47 HydrophobicContact CG1-CB 3.83Å; L40-P47 CarbonylContact O-C 3.6Å; L40-P47 WeakPolarHBondContact O-CA 3.43Å
48T84.4Confident86.8Confident55 Ų5558.1 Ų58.134%0.33734%0.338SS..EExtended strand (participates in β ladder)trans-98.3135.4176-54.70000109.5V39 L40V39-T48 WeakPolarHBondContact CA-O 3.39Å; L40-T48 PolarHBondContact N-O 2.79Å; L40-T48 PolarHBondContact O-N 2.99Å
49I86.3Confident86.7Confident76 Ų7661.1 Ų61.139%0.3935%0.35SS..EExtended strand (participates in β ladder)trans-104.1129.5172.7-55.5-177.1000107.3N37 V38 V39N37-I49 HydrophobicContact CB-CG2 3.57Å; V38-I49 WeakPolarHBondContact O-CA 3.47Å; V39-I49 HydrophobicContact CG2-CG1 4.3Å
50T86.7Confident86.8Confident14 Ų1457.7 Ų57.79%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-145.7156.1-179-172.60000112.7V38 L40 D52 V56V38-T50 PolarHBondContact N-O 2.67Å; V38-T50 PolarHBondContact O-N 3.49Å; L40-T50 HydrophobicContact CD1-CG2 3.49Å; L40-T50 VanDerWaalsContact CD1-CG2 3.49Å; L40-T50 HydrophobicContact CG-CG2 4.18Å; T50-D52 PolarHBondContact OG1-N 2.78Å; T50-V56 HydrophobicContact CG2-CG2 3.79Å
51K87.4Confident87Confident45 Ų4563.8 Ų63.820%0.19636%0.357CS..  trans-109.4-4.3164.2-67.4-166.2-178-168.90113.1T30 G35 N37 G53T30-K51 WeakPolarHBondContact CB-O 3.36Å; T30-K51 PolarHBondContact OG1-O 3.5Å; G35-K51 WeakPolarHBondContact O-CE 3.35Å; G35-K51 PolarHBondContact O-NZ 2.76Å; N37-K51 WeakPolarHBondContact OD1-CE 3.45Å; N37-K51 WeakPolarHBondContact OD1-CG 3.33Å; K51-G53 PolarHBondContact O-N 2.97Å
52D87.2Confident87.3Confident22 Ų2259.2 Ų59.212%0.11833%0.332CS..  trans-74.4120.9-178.6167.433.5000111T50 V54 S55 V56T50-D52 PolarHBondContact OG1-N 2.78Å; D52-V54 VanDerWaalsContact C-N 3.34Å; D52-V54 PolarHBondContact O-N 3.34Å; D52-V54 WeakPolarHBondContact OD1-CG1 3.32Å; D52-V54 PolarHBondContact OD1-N 2.92Å; D52-V54 WeakPolarHBondContact OD2-CG1 3.37Å; D52-S55 PolarHBondContact O-N 2.79Å; D52-S55 WeakPolarHBondContact OD2-CB 3.44Å; D52-S55 PolarHBondContact OD2-N 3.37Å; D52-S55 PolarHBondContact OD2-OG 3.48Å; D52-V56 WeakPolarHBondContact O-CG2 3.46Å; D52-V56 PolarHBondContact O-N 3.45Å; D52-V56 VanDerWaalsContact O-N 3.1Å
53G88.6Confident88Confident0 Ų065.4 Ų65.40%036%0.362CS..Hα-helixtrans-63.2-33.2-179.300000114.1K51 A57 T90K51-G53 PolarHBondContact O-N 2.97Å; G53-A57 VanDerWaalsContact O-CB 3.27Å; G53-A57 WeakPolarHBondContact O-CB 3.37Å; G53-A57 PolarHBondContact O-N 3.4Å; G53-T90 WeakPolarHBondContact CA-OG1 3.39Å
54V89.2Confident88.6Confident4 Ų462 Ų622%0.02433%0.334CS..Hα-helixtrans-75-38.2179.468.40000111.3D52 A57 R58 A78 N82 T89D52-V54 VanDerWaalsContact C-N 3.34Å; D52-V54 PolarHBondContact O-N 3.34Å; D52-V54 WeakPolarHBondContact OD1-CG1 3.32Å; D52-V54 PolarHBondContact OD1-N 2.92Å; D52-V54 WeakPolarHBondContact OD2-CG1 3.37Å; V54-A57 PolarHBondContact O-N 2.79Å; V54-R58 HydrophobicContact CG2-CG 4.35Å; V54-R58 WeakPolarHBondContact O-CB 3.47Å; V54-R58 VanDerWaalsContact O-CG 3.26Å; V54-R58 WeakPolarHBondContact O-CG 3.36Å; V54-R58 PolarHBondContact O-N 3.31Å; V54-A78 HydrophobicContact CB-CB 4.39Å; V54-A78 HydrophobicContact CG2-CB 4.37Å; V54-N82 HydrophobicContact CG1-CB 4.42Å; V54-T89 HydrophobicContact CB-CG2 3.87Å; V54-T89 HydrophobicContact CG1-CG2 4.15Å; V54-T89 PolarHBondContact N-OG1 3.21Å
55S88.8Confident89.4Confident42 Ų4256.7 Ų56.729%0.29431%0.311SS..Hα-helixtrans-59.3-46172-66.80000111.7D52 R58 E59D52-S55 PolarHBondContact O-N 2.79Å; D52-S55 WeakPolarHBondContact OD2-CB 3.44Å; D52-S55 PolarHBondContact OD2-N 3.37Å; D52-S55 PolarHBondContact OD2-OG 3.48Å; S55-R58 PolarHBondContact O-N 3.45Å; S55-E59 PolarHBondContact O-N 2.98Å
56V92.5Very high90.2Very high1 Ų153.3 Ų53.31%0.00628%0.275CS..Hα-helixtrans-63.2-46.9175.7177.50000111.1A26 V27 V38 T50 D52 R58 E59 I60A26-V56 HydrophobicContact CB-CG1 4.15Å; V27-V56 HydrophobicContact CG2-CB 4.08Å; V27-V56 HydrophobicContact CG2-CG1 3.88Å; V38-V56 HydrophobicContact CB-CG2 3.65Å; V38-V56 HydrophobicContact CG1-CG1 4.05Å; V38-V56 HydrophobicContact CG1-CG2 3.9Å; V38-V56 HydrophobicContact CG2-CG1 4.38Å; V38-V56 HydrophobicContact CG2-CG2 3.89Å; T50-V56 HydrophobicContact CG2-CG2 3.79Å; D52-V56 WeakPolarHBondContact O-CG2 3.46Å; D52-V56 PolarHBondContact O-N 3.45Å; D52-V56 VanDerWaalsContact O-N 3.1Å; V56-R58 PolarHBondContact O-N 3.29Å; V56-E59 PolarHBondContact O-N 3.19Å; V56-I60 HydrophobicContact CG1-CD1 4.06Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å
57A94.1Very high90.9Very high0 Ų051.2 Ų51.20%025%0.254CS..Hα-helixtrans-61.5-32.1-179.400000112.9L23 V27 G53 V54 K75 A78L23-A57 HydrophobicContact CD1-CB 4.16Å; L23-A57 HydrophobicContact CD2-CB 4.01Å; L23-A57 HydrophobicContact CG-CB 4.34Å; V27-A57 HydrophobicContact CG2-CB 4.05Å; G53-A57 VanDerWaalsContact O-CB 3.27Å; G53-A57 WeakPolarHBondContact O-CB 3.37Å; G53-A57 PolarHBondContact O-N 3.4Å; V54-A57 PolarHBondContact O-N 2.79Å; A57-K75 HydrophobicContact CB-CG 4.3Å; A57-A78 HydrophobicContact CB-CB 4.12Å
58R91.8Very high91.5Very high104 Ų10449.6 Ų49.639%0.39224%0.242SC..Hα-helixtrans-70.2-30.8-179.6-79.6175178.3179.12.5114.1V54 S55 V56 I60 K75V54-R58 HydrophobicContact CG2-CG 4.35Å; V54-R58 WeakPolarHBondContact O-CB 3.47Å; V54-R58 VanDerWaalsContact O-CG 3.26Å; V54-R58 WeakPolarHBondContact O-CG 3.36Å; V54-R58 PolarHBondContact O-N 3.31Å; S55-R58 PolarHBondContact O-N 3.45Å; V56-R58 PolarHBondContact O-N 3.29Å; R58-I60 VanDerWaalsContact C-N 3.35Å; R58-K75 HydrophobicContact CG-CD 4.4Å
59E91.8Very high92Very high87 Ų8749.9 Ų49.941%0.40724%0.24SC..THydrogen-bonded Turntrans-85.3-6.4-179.1-63.4-59.4156.100113.7L40 K42 S55 V56 E61L40-E59 HydrophobicContact CB-CG 4.25Å; L40-E59 HydrophobicContact CD1-CG 3.81Å; L40-E59 HydrophobicContact CD2-CB 4.01Å; L40-E59 HydrophobicContact CD2-CG 4.11Å; L40-E59 HydrophobicContact CG-CG 4.26Å; K42-E59 IonicContact NZ-OE1 2.64Å; K42-E59 PolarHBondContact NZ-OE1 3.23Å; S55-E59 PolarHBondContact O-N 2.98Å; V56-E59 PolarHBondContact O-N 3.19Å; E59-E61 PolarHBondContact O-N 2.91Å
60I93.4Very high92.4Very high25 Ų2546.3 Ų46.313%0.12822%0.221CC..  trans-90.4106.4-176.8-64.8172000110.1L23 A26 V56 R58 L62 Q72L23-I60 HydrophobicContact CB-CD1 4.36Å; L23-I60 HydrophobicContact CB-CG2 4.2Å; L23-I60 HydrophobicContact CD1-CB 4.26Å; L23-I60 HydrophobicContact CD1-CG2 4.4Å; L23-I60 HydrophobicContact CG-CB 4.42Å; L23-I60 HydrophobicContact CG-CD1 4.08Å; L23-I60 HydrophobicContact CG-CG2 4.45Å; A26-I60 HydrophobicContact CB-CD1 3.46Å; A26-I60 VanDerWaalsContact CB-CD1 3.46Å; V56-I60 HydrophobicContact CG1-CD1 4.06Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; R58-I60 VanDerWaalsContact C-N 3.35Å; I60-L62 HydrophobicContact CG2-CD2 4.08Å; I60-L62 HydrophobicContact CG2-CG 4.46Å; I60-Q72 PolarHBondContact O-NE2 3.26Å; I60-Q72 VanDerWaalsContact O-NE2 3.16Å
61E93.8Very high92.9Very high145 Ų14545.6 Ų45.668%0.67822%0.217SC*.  trans-122.7131.2167.5-64.5-167165.400109.9E59E59-E61 PolarHBondContact O-N 2.91Å
62L95.2Very high93.3Very high37 Ų3745.4 Ų45.419%0.19422%0.217CC..  trans-104.7144.8-176.7-53.1179.2000111.2V22 I60 E67 N68 A71V22-L62 HydrophobicContact CB-CD1 4.31Å; V22-L62 HydrophobicContact CG1-CD1 4.44Å; V22-L62 HydrophobicContact CG1-CD2 3.81Å; I60-L62 HydrophobicContact CG2-CD2 4.08Å; I60-L62 HydrophobicContact CG2-CG 4.46Å; L62-E67 HydrophobicContact CD1-CB 3.91Å; L62-N68 HydrophobicContact CB-CB 3.94Å; L62-N68 PolarHBondContact N-OD1 2.87Å; L62-N68 WeakPolarHBondContact O-CB 3.19Å; L62-A71 HydrophobicContact CD1-CB 4Å; L62-A71 HydrophobicContact CG-CB 4.34Å
63E94.1Very high93.7Very high196 Ų19647.3 Ų47.392%0.91623%0.226SC*.SBendtrans-65.6-46.1179.2-174.4-176.6179.700112.2K65E63-K65 PolarHBondContact O-N 3.11Å; E63-K65 VanDerWaalsContact O-N 3.15Å
64D94.2Very high94Very high46 Ų4647.3 Ų47.325%0.24623%0.226CC..SBendtrans-68.8114.7174.1-177.3-65.1000109.1K15 F66 E67 N68K15-D64 IonicContact NZ-OD1 3.95Å; K15-D64 IonicContact NZ-OD2 3.83Å; K15-D64 PolarHBondContact NZ-OD2 3.28Å; D64-F66 VanDerWaalsContact C-N 3.26Å; D64-F66 PolarHBondContact O-N 3.24Å; D64-F66 WeakPolarHBondContact OD1-CA 3.22Å; D64-F66 WeakPolarHBondContact OD1-CB 3.21Å; D64-F66 PolarHBondContact OD1-N 3.41Å; D64-E67 HydrophobicContact CB-CB 4.05Å; D64-E67 HydrophobicContact CB-CG 3.87Å; D64-E67 PolarHBondContact O-N 3.3Å; D64-E67 PolarHBondContact OD1-N 2.95Å; D64-N68 WeakPolarHBondContact O-CB 3.07Å; D64-N68 PolarHBondContact O-N 3.43Å
65K94.2Very high94.3Very high84 Ų8449 Ų4937%0.36523%0.233SC..Hα-helixtrans-62.3-28.6-175.3-62.9-171.8-177.71760114E63 M69 T522 D523E63-K65 PolarHBondContact O-N 3.11Å; E63-K65 VanDerWaalsContact O-N 3.15Å; K65-M69 VanDerWaalsContact O-CG 3.27Å; K65-M69 WeakPolarHBondContact O-CG 3.37Å; K65-M69 PolarHBondContact O-N 3.28Å; K65-T522 HydrophobicContact CB-CG2 4.08Å; K65-T522 WeakPolarHBondContact CB-OG1 3.42Å; K65-T522 HydrophobicContact CD-CG2 4.34Å; K65-T522 WeakPolarHBondContact CD-OG1 3.47Å; K65-D523 PolarHBondContact NZ-O 3.11Å
66F94.3Very high94.6Very high4 Ų451.3 Ų51.32%0.01824%0.239CC..Hα-helixtrans-77.5-39.7177.4-63.8-85.2000111.2D5 K7 K15 D64 N68 M69 G70 M520 T522D5-F66 HydrophobicContact CB-CE2 4.16Å; D5-F66 HydrophobicContact CB-CZ 3.96Å; D5-F66 WeakPolarHBondContact OD2-CE2 3.07Å; K7-F66 HydrophobicContact CB-CD1 4.3Å; K7-F66 HydrophobicContact CB-CE1 3.82Å; K7-F66 HydrophobicContact CB-CZ 4.2Å; K7-F66 HydrophobicContact CD-CD1 4.11Å; K7-F66 HydrophobicContact CD-CD2 3.96Å; K7-F66 HydrophobicContact CD-CE1 3.98Å; K7-F66 HydrophobicContact CD-CE2 3.83Å; K7-F66 HydrophobicContact CD-CG 4.09Å; K7-F66 HydrophobicContact CD-CZ 3.82Å; K7-F66 VanDerWaalsContact CE-CE2 3.42Å; K7-F66 HydrophobicContact CG-CD1 4.3Å; K7-F66 HydrophobicContact CG-CE1 3.72Å; K7-F66 HydrophobicContact CG-CE2 4.09Å; K7-F66 HydrophobicContact CG-CZ 3.59Å; K15-F66 HydrophobicContact CB-CB 3.88Å; K15-F66 HydrophobicContact CD-CB 3.82Å; K15-F66 HydrophobicContact CD-CD2 4.26Å; K15-F66 HydrophobicContact CD-CG 4.26Å; D64-F66 VanDerWaalsContact C-N 3.26Å; D64-F66 PolarHBondContact O-N 3.24Å; D64-F66 WeakPolarHBondContact OD1-CA 3.22Å; D64-F66 WeakPolarHBondContact OD1-CB 3.21Å; D64-F66 PolarHBondContact OD1-N 3.41Å; F66-N68 VanDerWaalsContact C-N 3.34Å; F66-M69 PolarHBondContact O-N 2.8Å; F66-G70 PolarHBondContact O-N 3.25Å; F66-M520 HydrophobicContact CB-CE 4.09Å; F66-M520 HydrophobicContact CD1-CB 3.62Å; F66-M520 HydrophobicContact CD1-CE 4.06Å; F66-M520 HydrophobicContact CD1-SD 4.21Å; F66-M520 HydrophobicContact CE1-CB 3.75Å; F66-M520 VanDerWaalsContact O-CE 3.32Å; F66-M520 WeakPolarHBondContact O-CE 3.39Å; F66-T522 HydrophobicContact CD2-CG2 4.2Å; F66-T522 HydrophobicContact CE1-CG2 4.08Å; F66-T522 HydrophobicContact CE2-CG2 3.54Å; F66-T522 HydrophobicContact CZ-CG2 3.48Å; F66-T522 VanDerWaalsContact CZ-CG2 3.48Å
67E96.3Very high94.7Very high22 Ų2251.2 Ų51.210%0.10324%0.239CC..Hα-helixtrans-62.3-46.1170-58.6-174.3-171.900109.4K15 R18 G19 L62 D64 M69 G70 A71K15-E67 HydrophobicContact CB-CG 4.27Å; K15-E67 WeakPolarHBondContact O-CA 3.4Å; K15-E67 WeakPolarHBondContact O-CG 3.26Å; R18-E67 HydrophobicContact CB-CG 4.29Å; R18-E67 VanDerWaalsContact CD-OE1 3.28Å; R18-E67 WeakPolarHBondContact CD-OE1 3.31Å; R18-E67 HydrophobicContact CG-CG 4.48Å; R18-E67 IonicContact CZ-OE1 2.8Å; R18-E67 IonicContact CZ-OE2 3.94Å; R18-E67 IonicContact NE-OE1 3.89Å; R18-E67 IonicContact NE-OE2 2.64Å; R18-E67 IonicContact NH1-OE1 3.71Å; R18-E67 PolarHBondContact NH1-OE1 3.22Å; R18-E67 IonicContact NH1-OE2 2.64Å; G19-E67 VanDerWaalsContact CA-O 3.28Å; G19-E67 WeakPolarHBondContact CA-O 3.39Å; L62-E67 HydrophobicContact CD1-CB 3.91Å; D64-E67 HydrophobicContact CB-CB 4.05Å; D64-E67 HydrophobicContact CB-CG 3.87Å; D64-E67 PolarHBondContact O-N 3.3Å; D64-E67 PolarHBondContact OD1-N 2.95Å; E67-M69 VanDerWaalsContact C-N 3.3Å; E67-M69 PolarHBondContact O-N 3.33Å; E67-G70 WeakPolarHBondContact O-CA 3.35Å; E67-G70 PolarHBondContact O-N 3.31Å; E67-A71 PolarHBondContact O-N 2.87Å; E67-A71 VanDerWaalsContact O-N 3.08Å
68N96.5Very high94.6Very high33 Ų3351.2 Ų51.218%0.17624%0.239CC..Hα-helixtrans-58.6-39.8179-162.232.6000112.2L62 D64 F66 G70 A71 Q72L62-N68 HydrophobicContact CB-CB 3.94Å; L62-N68 PolarHBondContact N-OD1 2.87Å; L62-N68 WeakPolarHBondContact O-CB 3.19Å; D64-N68 WeakPolarHBondContact O-CB 3.07Å; D64-N68 PolarHBondContact O-N 3.43Å; F66-N68 VanDerWaalsContact C-N 3.34Å; N68-G70 VanDerWaalsContact C-N 3.26Å; N68-G70 PolarHBondContact O-N 2.91Å; N68-A71 WeakPolarHBondContact O-CB 3.49Å; N68-A71 PolarHBondContact O-N 2.64Å; N68-A71 VanDerWaalsContact O-N 3.11Å; N68-Q72 VanDerWaalsContact O-CG 3.26Å; N68-Q72 WeakPolarHBondContact O-CG 3.31Å; N68-Q72 PolarHBondContact O-N 2.88Å; N68-Q72 PolarHBondContact OD1-NE2 3.1Å
69M95.4Very high94.6Very high61 Ų6147 Ų4730%0.323%0.225SC..Hα-helixtrans-54.3-43.5173-77.3171.3-175.200112.2K65 F66 E67 Q72 M73 M520 V521K65-M69 VanDerWaalsContact O-CG 3.27Å; K65-M69 WeakPolarHBondContact O-CG 3.37Å; K65-M69 PolarHBondContact O-N 3.28Å; F66-M69 PolarHBondContact O-N 2.8Å; E67-M69 VanDerWaalsContact C-N 3.3Å; E67-M69 PolarHBondContact O-N 3.33Å; M69-Q72 PolarHBondContact O-N 2.81Å; M69-M73 WeakPolarHBondContact O-CG 3.46Å; M69-M73 PolarHBondContact O-N 3.28Å; M69-M73 VanDerWaalsContact O-N 3.07Å; M69-M520 HydrophobicContact CB-CE 3.61Å; M69-M520 HydrophobicContact CG-CE 4.21Å; M69-M520 HydrophobicContact SD-CB 4.28Å; M69-M520 HydrophobicContact SD-CE 3.56Å; M69-M520 VanDerWaalsContact SD-CE 3.56Å; M69-V521 VanDerWaalsContact CE-O 3.25Å; M69-V521 WeakPolarHBondContact CE-O 3.46Å
70G95.5Very high94.7Very high0 Ų046.8 Ų46.80%022%0.222CC..Hα-helixtrans-63-44.1175.700000112.8F66 E67 N68 M73 V74F66-G70 PolarHBondContact O-N 3.25Å; E67-G70 WeakPolarHBondContact O-CA 3.35Å; E67-G70 PolarHBondContact O-N 3.31Å; N68-G70 VanDerWaalsContact C-N 3.26Å; N68-G70 PolarHBondContact O-N 2.91Å; G70-M73 PolarHBondContact O-N 2.81Å; G70-V74 WeakPolarHBondContact O-CG2 3.36Å; G70-V74 PolarHBondContact O-N 2.86Å
71A96.7Very high94.5Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-60.8-49.9174.900000111.3L23 L62 E67 N68 M73 V74 K75L23-A71 HydrophobicContact CB-CB 4.14Å; L23-A71 HydrophobicContact CD1-CB 4.1Å; L23-A71 VanDerWaalsContact CD1-O 3.29Å; L23-A71 WeakPolarHBondContact CD1-O 3.16Å; L62-A71 HydrophobicContact CD1-CB 4Å; L62-A71 HydrophobicContact CG-CB 4.34Å; E67-A71 PolarHBondContact O-N 2.87Å; E67-A71 VanDerWaalsContact O-N 3.08Å; N68-A71 WeakPolarHBondContact O-CB 3.49Å; N68-A71 PolarHBondContact O-N 2.64Å; N68-A71 VanDerWaalsContact O-N 3.11Å; A71-M73 VanDerWaalsContact C-N 3.27Å; A71-M73 PolarHBondContact O-N 3.28Å; A71-V74 PolarHBondContact O-N 3.09Å; A71-K75 PolarHBondContact O-N 2.93Å
72Q96.2Very high94.3Very high40 Ų4040.5 Ų40.519%0.18719%0.194CC..Hα-helixtrans-60.1-35.7-179.5-63-44.1-57.900112.5I60 N68 M69 V74 K75 E76I60-Q72 PolarHBondContact O-NE2 3.26Å; I60-Q72 VanDerWaalsContact O-NE2 3.16Å; N68-Q72 VanDerWaalsContact O-CG 3.26Å; N68-Q72 WeakPolarHBondContact O-CG 3.31Å; N68-Q72 PolarHBondContact O-N 2.88Å; N68-Q72 PolarHBondContact OD1-NE2 3.1Å; M69-Q72 PolarHBondContact O-N 2.81Å; Q72-V74 PolarHBondContact O-N 3.37Å; Q72-K75 WeakPolarHBondContact O-CB 3.49Å; Q72-K75 PolarHBondContact O-N 2.99Å; Q72-E76 WeakPolarHBondContact O-CG 3.36Å; Q72-E76 PolarHBondContact O-N 2.98Å; Q72-E76 VanDerWaalsContact O-N 3.08Å
73M94.4Very high93.9Very high63 Ų6343.3 Ų43.331%0.3121%0.209SC..Hα-helixtrans-64.2-39.7174.7-68.8-69.7-78.100112.3M69 G70 A71 E76 V77 V510 L513 M514M69-M73 WeakPolarHBondContact O-CG 3.46Å; M69-M73 PolarHBondContact O-N 3.28Å; M69-M73 VanDerWaalsContact O-N 3.07Å; G70-M73 PolarHBondContact O-N 2.81Å; A71-M73 VanDerWaalsContact C-N 3.27Å; A71-M73 PolarHBondContact O-N 3.28Å; M73-E76 WeakPolarHBondContact O-CB 3.45Å; M73-E76 PolarHBondContact O-N 3.14Å; M73-V77 PolarHBondContact O-N 3.33Å; M73-V510 HydrophobicContact CB-CG1 4.02Å; M73-V510 HydrophobicContact CE-CG1 4.23Å; M73-V510 WeakPolarHBondContact O-CG1 3.44Å; M73-L513 HydrophobicContact CE-CB 4.39Å; M73-M514 HydrophobicContact CB-CE 4.01Å; M73-M514 HydrophobicContact CB-CG 4.38Å; M73-M514 HydrophobicContact CB-SD 3.69Å; M73-M514 HydrophobicContact CE-CG 4.04Å; M73-M514 HydrophobicContact CG-CE 4.48Å; M73-M514 HydrophobicContact CG-SD 4.4Å
74V95.6Very high93.6Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-74.5-32.7176.8-175.60000111.6V20 L23 G70 A71 Q72 E76 V77 A78 T93 I100V20-V74 HydrophobicContact CB-CG2 4.1Å; V20-V74 HydrophobicContact CG1-CG2 3.9Å; V20-V74 HydrophobicContact CG2-CG2 3.76Å; L23-V74 HydrophobicContact CD2-CB 4Å; L23-V74 HydrophobicContact CD2-CG1 3.61Å; G70-V74 WeakPolarHBondContact O-CG2 3.36Å; G70-V74 PolarHBondContact O-N 2.86Å; A71-V74 PolarHBondContact O-N 3.09Å; Q72-V74 PolarHBondContact O-N 3.37Å; V74-E76 PolarHBondContact O-N 3.2Å; V74-V77 VanDerWaalsContact O-CB 3.31Å; V74-V77 WeakPolarHBondContact O-CB 3.39Å; V74-V77 PolarHBondContact O-N 3.39Å; V74-A78 PolarHBondContact O-N 2.85Å; V74-T93 HydrophobicContact CG1-CG2 3.69Å; V74-I100 HydrophobicContact CG2-CD1 4.37Å
75K95.8Very high93.2Very high40 Ų4033.4 Ų33.417%0.17417%0.167CC..Hα-helixtrans-56.6-39.5169.6-174.8-174.176.3178.60111.6L23 A57 R58 A71 Q72 V77 A78 S79L23-K75 HydrophobicContact CD1-CB 4.06Å; A57-K75 HydrophobicContact CB-CG 4.3Å; R58-K75 HydrophobicContact CG-CD 4.4Å; A71-K75 PolarHBondContact O-N 2.93Å; Q72-K75 WeakPolarHBondContact O-CB 3.49Å; Q72-K75 PolarHBondContact O-N 2.99Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 PolarHBondContact O-N 3.3Å; K75-A78 PolarHBondContact O-N 3Å; K75-S79 WeakPolarHBondContact O-CB 3.24Å; K75-S79 PolarHBondContact O-N 3.46Å; K75-S79 PolarHBondContact O-OG 3.4Å
76E94.7Very high92.8Very high89 Ų8929.7 Ų29.742%0.41615%0.153SC..Hα-helixtrans-63.4-36.1174.1-71.8-62.5141.100112.3Q72 M73 V74 S79 K80Q72-E76 WeakPolarHBondContact O-CG 3.36Å; Q72-E76 PolarHBondContact O-N 2.98Å; Q72-E76 VanDerWaalsContact O-N 3.08Å; M73-E76 WeakPolarHBondContact O-CB 3.45Å; M73-E76 PolarHBondContact O-N 3.14Å; V74-E76 PolarHBondContact O-N 3.2Å; E76-S79 PolarHBondContact O-N 2.98Å; E76-K80 WeakPolarHBondContact O-CB 3.2Å; E76-K80 VanDerWaalsContact O-CG 3.28Å; E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 3.06Å
77V94.4Very high92.5Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-59.9-51.6174.4178.10000110.9M73 V74 K75 S79 K80 A81 A92 A96 A507 V510M73-V77 PolarHBondContact O-N 3.33Å; V74-V77 VanDerWaalsContact O-CB 3.31Å; V74-V77 WeakPolarHBondContact O-CB 3.39Å; V74-V77 PolarHBondContact O-N 3.39Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 PolarHBondContact O-N 3.3Å; V77-S79 VanDerWaalsContact C-N 3.31Å; V77-S79 PolarHBondContact O-N 3.28Å; V77-K80 PolarHBondContact O-N 2.94Å; V77-A81 WeakPolarHBondContact O-CB 3.41Å; V77-A81 PolarHBondContact O-N 3.4Å; V77-A92 HydrophobicContact CG1-CB 3.61Å; V77-A96 HydrophobicContact CG1-CB 4.25Å; V77-A96 HydrophobicContact CG2-CB 4.1Å; V77-A507 HydrophobicContact CG1-CB 4.32Å; V77-V510 HydrophobicContact CG2-CB 3.39Å; V77-V510 HydrophobicContact CG2-CG1 3.68Å; V77-V510 HydrophobicContact CG2-CG2 3.43Å; V77-V510 VanDerWaalsContact CG2-CG2 3.43Å
78A92.5Very high92.3Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-60.1-43.8178.400000111.1V54 A57 V74 K75 K80 A81 N82V54-A78 HydrophobicContact CB-CB 4.39Å; V54-A78 HydrophobicContact CG2-CB 4.37Å; A57-A78 HydrophobicContact CB-CB 4.12Å; V74-A78 PolarHBondContact O-N 2.85Å; K75-A78 PolarHBondContact O-N 3Å; A78-K80 PolarHBondContact O-N 2.96Å; A78-A81 PolarHBondContact O-N 3.35Å; A78-N82 WeakPolarHBondContact O-CB 3.32Å; A78-N82 PolarHBondContact O-N 3.46Å
79S92.5Very high92.1Very high15 Ų1529.2 Ų29.211%0.10515%0.153CC..Hα-helixtrans-64.4-40.2179.4-57.80000112.2K75 E76 V77 N82 D83K75-S79 WeakPolarHBondContact O-CB 3.24Å; K75-S79 PolarHBondContact O-N 3.46Å; K75-S79 PolarHBondContact O-OG 3.4Å; E76-S79 PolarHBondContact O-N 2.98Å; V77-S79 VanDerWaalsContact C-N 3.31Å; V77-S79 PolarHBondContact O-N 3.28Å; S79-N82 WeakPolarHBondContact O-CB 3.34Å; S79-N82 PolarHBondContact O-N 3.38Å; S79-D83 PolarHBondContact O-N 3.02Å
80K92.4Very high92.1Very high82 Ų8226.9 Ų26.936%0.35714%0.142SC..Hα-helixtrans-73.7-34.5178.3-68.9-68.4159.6-142.20113.6E76 V77 A78 N82 D83 A84 Y506E76-K80 WeakPolarHBondContact O-CB 3.2Å; E76-K80 VanDerWaalsContact O-CG 3.28Å; E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 3.06Å; V77-K80 PolarHBondContact O-N 2.94Å; A78-K80 PolarHBondContact O-N 2.96Å; K80-N82 VanDerWaalsContact C-N 3.3Å; K80-D83 IonicContact NZ-OD2 3.86Å; K80-D83 PolarHBondContact NZ-OD2 2.97Å; K80-D83 PolarHBondContact O-N 2.9Å; K80-A84 VanDerWaalsContact O-CB 3.28Å; K80-A84 WeakPolarHBondContact O-CB 3.49Å; K80-A84 PolarHBondContact O-N 3.12Å; K80-Y506 HydrophobicContact CB-CD1 3.7Å; K80-Y506 HydrophobicContact CB-CD2 4.09Å; K80-Y506 HydrophobicContact CB-CE1 3.92Å; K80-Y506 HydrophobicContact CB-CE2 4.31Å; K80-Y506 HydrophobicContact CB-CG 3.8Å; K80-Y506 HydrophobicContact CG-CD1 4.4Å; K80-Y506 WeakPolarHBondContact O-CE2 3.26Å
81A90.3Very high92.2Very high0 Ų028.2 Ų28.20%015%0.15CC..Hα-helixtrans-60.4-45170.300000110.5V77 A78 A84 A85 A92V77-A81 WeakPolarHBondContact O-CB 3.41Å; V77-A81 PolarHBondContact O-N 3.4Å; A78-A81 PolarHBondContact O-N 3.35Å; A81-A84 PolarHBondContact O-N 3.28Å; A81-A85 PolarHBondContact O-N 3.36Å; A81-A92 HydrophobicContact CB-CB 3.78Å
82N88.5Confident92.2Very high38 Ų3828.2 Ų28.220%0.20315%0.15CC..Hα-helixtrans-61.3-48.1174.3-164.163.7000112.4V54 A78 S79 K80 A84 G86 T89V54-N82 HydrophobicContact CG1-CB 4.42Å; A78-N82 WeakPolarHBondContact O-CB 3.32Å; A78-N82 PolarHBondContact O-N 3.46Å; S79-N82 WeakPolarHBondContact O-CB 3.34Å; S79-N82 PolarHBondContact O-N 3.38Å; K80-N82 VanDerWaalsContact C-N 3.3Å; N82-A84 PolarHBondContact O-N 2.97Å; N82-G86 WeakPolarHBondContact O-CA 3.25Å; N82-G86 PolarHBondContact O-N 3.11Å; N82-T89 HydrophobicContact CB-CG2 3.8Å
83D87.4Confident92.3Very high96 Ų9626.3 Ų26.351%0.51314%0.141SC..Hα-helixtrans-58.3-35.4177.7-69.6-13.7000112.1S79 K80S79-D83 PolarHBondContact O-N 3.02Å; K80-D83 IonicContact NZ-OD2 3.86Å; K80-D83 PolarHBondContact NZ-OD2 2.97Å; K80-D83 PolarHBondContact O-N 2.9Å
84A87.8Confident92.5Very high26 Ų2623.6 Ų23.622%0.21513%0.128CC..Hα-helixtrans-88-35.2-172.400000114.3K80 A81 N82 K498 Y506K80-A84 VanDerWaalsContact O-CB 3.28Å; K80-A84 WeakPolarHBondContact O-CB 3.49Å; K80-A84 PolarHBondContact O-N 3.12Å; A81-A84 PolarHBondContact O-N 3.28Å; N82-A84 PolarHBondContact O-N 2.97Å; A84-K498 WeakPolarHBondContact O-CE 3.25Å; A84-K498 PolarHBondContact O-NZ 3.31Å; A84-Y506 HydrophobicContact CB-CE2 3.47Å; A84-Y506 VanDerWaalsContact CB-CE2 3.47Å
85A86.7Confident92.6Very high8 Ų823.6 Ų23.67%0.06613%0.128CC..Hα-helixtrans-134.2-9.2-173.200000114.2A81 D87 K498 V499A81-A85 PolarHBondContact O-N 3.36Å; A85-D87 PolarHBondContact O-N 3.47Å; A85-K498 HydrophobicContact CB-CG 4.33Å; A85-V499 HydrophobicContact CB-CB 4.35Å; A85-V499 HydrophobicContact CB-CG2 3.65Å
86G84.2Confident92.7Very high7 Ų721.7 Ų21.77%0.07212%0.12CC..SBendtrans63.812.9-176.400000115.1N82N82-G86 WeakPolarHBondContact O-CA 3.25Å; N82-G86 PolarHBondContact O-N 3.11Å
87D88.7Confident92.9Very high38 Ų3818.4 Ų18.420%0.20311%0.105CC..  trans-157.8175.4178.4-167.69000109.6A85 T89 S151 A402 V499A85-D87 PolarHBondContact O-N 3.47Å; D87-T89 VanDerWaalsContact C-N 3.33Å; D87-S151 PolarHBondContact OD2-OG 3.17Å; D87-A402 HydrophobicContact CB-CB 3.9Å; D87-A402 WeakPolarHBondContact OD2-CB 3.42Å; D87-V499 HydrophobicContact CB-CG1 4.27Å; D87-V499 HydrophobicContact CB-CG2 3.99Å
88G91.4Very high93Very high5 Ų519.5 Ų19.55%0.05211%0.114CC..  trans7915.317700000114T90 T91 A92 V499G88-T90 PolarHBondContact O-N 3.35Å; G88-T91 PolarHBondContact O-N 3.41Å; G88-A92 WeakPolarHBondContact O-CB 3.39Å; G88-A92 PolarHBondContact O-N 3.15Å; G88-V499 VanDerWaalsContact CA-CG1 3.49Å
89T93.3Very high93.3Very high5 Ų519.5 Ų19.53%0.03111%0.114CC..Hα-helixtrans-59-49.7-177.361.60000110.9V54 N82 D87 T91 A92 T93V54-T89 HydrophobicContact CB-CG2 3.87Å; V54-T89 HydrophobicContact CG1-CG2 4.15Å; V54-T89 PolarHBondContact N-OG1 3.21Å; N82-T89 HydrophobicContact CB-CG2 3.8Å; D87-T89 VanDerWaalsContact C-N 3.33Å; T89-T91 PolarHBondContact O-N 2.88Å; T89-A92 PolarHBondContact O-N 3.32Å; T89-T93 PolarHBondContact O-N 2.83Å; T89-T93 PolarHBondContact O-OG1 3.34Å
90T95.1Very high93.6Very high12 Ų1218.8 Ų18.87%0.07411%0.109CC..Hα-helixtrans-62.4-43175.9-53.80000112.2V27 T30 L31 G53 G88 A92 T93 V94V27-T90 HydrophobicContact CG1-CG2 3.8Å; V27-T90 WeakPolarHBondContact O-CG2 3.42Å; T30-T90 PolarHBondContact OG1-OG1 3.34Å; L31-T90 HydrophobicContact CB-CG2 3.61Å; L31-T90 HydrophobicContact CD1-CG2 3.81Å; L31-T90 HydrophobicContact CG-CG2 4.17Å; G53-T90 WeakPolarHBondContact CA-OG1 3.39Å; G88-T90 PolarHBondContact O-N 3.35Å; T90-A92 PolarHBondContact O-N 3.4Å; T90-T93 PolarHBondContact O-N 3.06Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.3Å
91T96.7Very high93.8Very high29 Ų2916.7 Ų16.718%0.17810%0.103CC..Hα-helixtrans-62-43.3176.9-61.50000111.3G88 T89 T93 V94 L95 P450 A503G88-T91 PolarHBondContact O-N 3.41Å; T89-T91 PolarHBondContact O-N 2.88Å; T91-T93 VanDerWaalsContact C-N 3.35Å; T91-T93 PolarHBondContact O-N 3.48Å; T91-V94 PolarHBondContact O-N 2.95Å; T91-L95 HydrophobicContact CG2-CD1 3.98Å; T91-L95 HydrophobicContact CG2-CG 4.5Å; T91-L95 WeakPolarHBondContact O-CB 3.1Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 3.14Å; T91-P450 HydrophobicContact CG2-CB 4.17Å; T91-P450 HydrophobicContact CG2-CG 3.94Å; T91-A503 HydrophobicContact CG2-CB 4.3Å
92A97.5Very high94Very high0 Ų020.1 Ų20.10%012%0.119CC..Hα-helixtrans-62.7-42177.200000111.3V77 A81 G88 T89 T90 L95 A96 A503 A507V77-A92 HydrophobicContact CG1-CB 3.61Å; A81-A92 HydrophobicContact CB-CB 3.78Å; G88-A92 WeakPolarHBondContact O-CB 3.39Å; G88-A92 PolarHBondContact O-N 3.15Å; T89-A92 PolarHBondContact O-N 3.32Å; T90-A92 PolarHBondContact O-N 3.4Å; A92-L95 PolarHBondContact O-N 3.14Å; A92-A96 WeakPolarHBondContact O-CB 3.41Å; A92-A96 PolarHBondContact O-N 2.98Å; A92-A503 HydrophobicContact CB-CB 3.71Å; A92-A507 WeakPolarHBondContact O-CB 3.45Å
93T97.9Very high94.4Very high0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-62.2-44.7174.8-64.90000112.5L23 A24 V27 V74 T89 T90 T91 A96 Q97L23-T93 HydrophobicContact CD2-CG2 4.06Å; A24-T93 HydrophobicContact CB-CG2 3.71Å; V27-T93 HydrophobicContact CB-CG2 3.94Å; V27-T93 HydrophobicContact CG1-CG2 3.88Å; V27-T93 HydrophobicContact CG2-CG2 4.42Å; V74-T93 HydrophobicContact CG1-CG2 3.69Å; T89-T93 PolarHBondContact O-N 2.83Å; T89-T93 PolarHBondContact O-OG1 3.34Å; T90-T93 PolarHBondContact O-N 3.06Å; T91-T93 VanDerWaalsContact C-N 3.35Å; T91-T93 PolarHBondContact O-N 3.48Å; T93-A96 PolarHBondContact O-N 2.81Å; T93-Q97 WeakPolarHBondContact O-CB 3.42Å; T93-Q97 PolarHBondContact O-N 3.23Å
94V98.3Very high94.8Very high5 Ų514.4 Ų14.43%0.039%0.088CC..Hα-helixtrans-63.5-43.4177.1169.50000111.4K28 L31 T90 T91 Q97 A98 A449 Q453K28-V94 HydrophobicContact CB-CG2 3.52Å; L31-V94 HydrophobicContact CD2-CG2 4.16Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.3Å; T91-V94 PolarHBondContact O-N 2.95Å; V94-Q97 PolarHBondContact O-N 3.44Å; V94-A98 WeakPolarHBondContact O-CB 3.23Å; V94-A98 PolarHBondContact O-N 3.07Å; V94-A449 HydrophobicContact CG1-CB 3.84Å; V94-Q453 HydrophobicContact CG1-CB 4.22Å; V94-Q453 HydrophobicContact CG2-CG 4.16Å
95L98.5Very high95.1Very high1 Ų118.7 Ų18.71%0.00510%0.102CC..Hα-helixtrans-62-44.7175.3-73.2168.4000111.2T91 A92 A98 I99 L419 A446 P450 A503 L504 A507T91-L95 HydrophobicContact CG2-CD1 3.98Å; T91-L95 HydrophobicContact CG2-CG 4.5Å; T91-L95 WeakPolarHBondContact O-CB 3.1Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 3.14Å; A92-L95 PolarHBondContact O-N 3.14Å; L95-A98 PolarHBondContact O-N 3.15Å; L95-I99 VanDerWaalsContact O-CG1 3.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 3.31Å; L95-L419 HydrophobicContact CD1-CD1 4.25Å; L95-L419 HydrophobicContact CD2-CD1 4.25Å; L95-A446 WeakPolarHBondContact CD2-O 3.4Å; L95-P450 HydrophobicContact CD1-CG 4.42Å; L95-P450 HydrophobicContact CD2-CG 3.75Å; L95-P450 HydrophobicContact CG-CG 3.87Å; L95-A503 HydrophobicContact CD1-CB 4.3Å; L95-L504 HydrophobicContact CD1-CB 4.22Å; L95-L504 HydrophobicContact CD1-CD1 4.41Å; L95-L504 HydrophobicContact CD2-CD1 4.44Å; L95-A507 HydrophobicContact CB-CB 3.59Å
96A98.1Very high95.5Very high0 Ų018.7 Ų18.70%010%0.102CC..Hα-helixtrans-61.5-48.7178.900000110.9V77 A92 T93 A98 I99 I100 A507V77-A96 HydrophobicContact CG1-CB 4.25Å; V77-A96 HydrophobicContact CG2-CB 4.1Å; A92-A96 WeakPolarHBondContact O-CB 3.41Å; A92-A96 PolarHBondContact O-N 2.98Å; T93-A96 PolarHBondContact O-N 2.81Å; A96-A98 VanDerWaalsContact C-N 3.29Å; A96-A98 PolarHBondContact O-N 2.97Å; A96-I99 PolarHBondContact O-N 3.13Å; A96-I100 HydrophobicContact CB-CD1 4.44Å; A96-I100 WeakPolarHBondContact O-CB 3.39Å; A96-I100 VanDerWaalsContact O-CD1 3.32Å; A96-I100 WeakPolarHBondContact O-CD1 3.35Å; A96-I100 WeakPolarHBondContact O-CG1 3.43Å; A96-I100 PolarHBondContact O-N 2.97Å; A96-A507 HydrophobicContact CB-CB 3.97Å
97Q98.2Very high96Very high20 Ų2019 Ų199%0.09310%0.102CC..Hα-helixtrans-55.2-45.4176.4-174.7-176.633.100111.4V20 N21 A24 D25 T93 V94 T101V20-Q97 HydrophobicContact CG1-CB 4.48Å; V20-Q97 HydrophobicContact CG1-CG 4.37Å; N21-Q97 PolarHBondContact OD1-NE2 3.3Å; A24-Q97 HydrophobicContact CB-CB 3.7Å; A24-Q97 VanDerWaalsContact CB-CD 3.41Å; A24-Q97 HydrophobicContact CB-CG 3.83Å; D25-Q97 PolarHBondContact OD1-NE2 3.19Å; T93-Q97 WeakPolarHBondContact O-CB 3.42Å; T93-Q97 PolarHBondContact O-N 3.23Å; V94-Q97 PolarHBondContact O-N 3.44Å; Q97-T101 VanDerWaalsContact O-CB 3.23Å; Q97-T101 WeakPolarHBondContact O-CB 3.41Å; Q97-T101 PolarHBondContact O-N 3.25Å; Q97-T101 PolarHBondContact O-OG1 3.26Å
98A98.1Very high96.2Very high23 Ų2320.6 Ų20.619%0.1912%0.121CC..Hα-helixtrans-66.2-45.7-178.900000112.6V94 L95 A96 E102 A446 A449V94-A98 WeakPolarHBondContact O-CB 3.23Å; V94-A98 PolarHBondContact O-N 3.07Å; L95-A98 PolarHBondContact O-N 3.15Å; A96-A98 VanDerWaalsContact C-N 3.29Å; A96-A98 PolarHBondContact O-N 2.97Å; A98-E102 WeakPolarHBondContact O-CB 3.42Å; A98-E102 PolarHBondContact O-N 3.49Å; A98-E102 VanDerWaalsContact O-N 3.09Å; A98-A446 HydrophobicContact CB-CB 3.73Å; A98-A449 HydrophobicContact CB-CB 3.65Å
99I98.4Very high96.3Very high0 Ų024 Ų240%015%0.149CC..Hα-helixtrans-63.8-46.1177.9-62.4168.9000110.3L95 A96 G103 I120 V442 A446 A507 A508 A511 I515L95-I99 VanDerWaalsContact O-CG1 3.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 3.31Å; A96-I99 PolarHBondContact O-N 3.13Å; I99-G103 WeakPolarHBondContact O-CA 3.14Å; I99-G103 PolarHBondContact O-N 3.47Å; I99-I120 HydrophobicContact CG2-CD1 3.83Å; I99-I120 HydrophobicContact CG2-CG1 4.47Å; I99-I120 HydrophobicContact CG2-CG2 4.27Å; I99-V442 HydrophobicContact CG2-CG1 4.14Å; I99-A446 HydrophobicContact CB-CB 4.4Å; I99-A446 HydrophobicContact CD1-CB 4.45Å; I99-A446 HydrophobicContact CG1-CB 3.41Å; I99-A446 VanDerWaalsContact CG1-CB 3.41Å; I99-A507 HydrophobicContact CD1-CB 4.41Å; I99-A508 HydrophobicContact CD1-CB 4.04Å; I99-A511 HydrophobicContact CB-CB 3.72Å; I99-A511 HydrophobicContact CG2-CB 3.43Å; I99-A511 VanDerWaalsContact CG2-CB 3.43Å; I99-I515 HydrophobicContact CG2-CD1 4.14Å
100I97.3Very high96.3Very high0 Ų027 Ų270%018%0.181CC..Hα-helixtrans-62.4-49.6179.6-65.3161.3000110.1L17 V20 V74 A96 E102 G103 L104 A511 M514L17-I100 HydrophobicContact CD1-CG2 4.04Å; V20-I100 HydrophobicContact CG1-CD1 3.92Å; V20-I100 HydrophobicContact CG2-CD1 4.06Å; V74-I100 HydrophobicContact CG2-CD1 4.37Å; A96-I100 HydrophobicContact CB-CD1 4.44Å; A96-I100 WeakPolarHBondContact O-CB 3.39Å; A96-I100 VanDerWaalsContact O-CD1 3.32Å; A96-I100 WeakPolarHBondContact O-CD1 3.35Å; A96-I100 WeakPolarHBondContact O-CG1 3.43Å; A96-I100 PolarHBondContact O-N 2.97Å; I100-E102 VanDerWaalsContact C-N 3.35Å; I100-E102 PolarHBondContact O-N 3.19Å; I100-G103 PolarHBondContact O-N 2.95Å; I100-L104 HydrophobicContact CG2-CD1 3.66Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 VanDerWaalsContact O-CB 3.29Å; I100-L104 WeakPolarHBondContact O-CB 3.38Å; I100-L104 WeakPolarHBondContact O-CG 3.18Å; I100-L104 PolarHBondContact O-N 3.02Å; I100-A511 HydrophobicContact CD1-CB 4.33Å; I100-A511 HydrophobicContact CG1-CB 3.55Å; I100-M514 HydrophobicContact CD1-CE 4.18Å; I100-M514 HydrophobicContact CD1-SD 3.42Å; I100-M514 WeakPolarHBondContact CD1-SD 3.29Å; I100-M514 HydrophobicContact CG1-CB 4.46Å; I100-M514 HydrophobicContact CG1-SD 4.19Å
101T96.5Very high96.3Very high38 Ų3828.9 Ų28.923%0.23319%0.189CC..Hα-helixtrans-59.9-46.2-176.7-61.70000111.4Q97 K105Q97-T101 VanDerWaalsContact O-CB 3.23Å; Q97-T101 WeakPolarHBondContact O-CB 3.41Å; Q97-T101 PolarHBondContact O-N 3.25Å; Q97-T101 PolarHBondContact O-OG1 3.26Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.47Å
102E96.3Very high96.3Very high71 Ų7130.9 Ų30.933%0.33220%0.199SC..Hα-helixtrans-76.7-37.4-178.2-162.362.8-164.400112.2A98 I100 L104 K105 A106 V442A98-E102 WeakPolarHBondContact O-CB 3.42Å; A98-E102 PolarHBondContact O-N 3.49Å; A98-E102 VanDerWaalsContact O-N 3.09Å; I100-E102 VanDerWaalsContact C-N 3.35Å; I100-E102 PolarHBondContact O-N 3.19Å; E102-L104 PolarHBondContact O-N 3.18Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 IonicContact OE2-NZ 3.52Å; E102-K105 PolarHBondContact OE2-NZ 3.28Å; E102-A106 PolarHBondContact O-N 3.4Å; E102-A106 VanDerWaalsContact O-N 3.13Å; E102-V442 HydrophobicContact CB-CG1 4.16Å; E102-V442 HydrophobicContact CB-CG2 4.4Å; E102-V442 HydrophobicContact CG-CG2 4.02Å
103G96.5Very high96.3Very high0 Ų031.9 Ų31.90%021%0.205CC..Hα-helixtrans-62.5-41.2174.300000112.8I99 I100 K105 A106 V107I99-G103 WeakPolarHBondContact O-CA 3.14Å; I99-G103 PolarHBondContact O-N 3.47Å; I100-G103 PolarHBondContact O-N 2.95Å; G103-K105 VanDerWaalsContact C-N 3.34Å; G103-K105 PolarHBondContact O-N 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.28Å; G103-A106 PolarHBondContact O-N 3.47Å; G103-V107 WeakPolarHBondContact O-CG2 3.47Å; G103-V107 PolarHBondContact O-N 2.95Å
104L94.5Very high96.2Very high15 Ų1536.3 Ų36.38%0.07923%0.227CC..Hα-helixtrans-66.7-33177.2-72.4-178.7000112.9R13 L17 I100 E102 V107 A108R13-L104 HydrophobicContact CB-CD2 4.05Å; R13-L104 HydrophobicContact CG-CD2 4Å; L17-L104 HydrophobicContact CB-CD1 3.79Å; L17-L104 HydrophobicContact CD1-CD1 4.16Å; L17-L104 HydrophobicContact CD2-CD1 4.01Å; L17-L104 HydrophobicContact CG-CD1 4.19Å; I100-L104 HydrophobicContact CG2-CD1 3.66Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 VanDerWaalsContact O-CB 3.29Å; I100-L104 WeakPolarHBondContact O-CB 3.38Å; I100-L104 WeakPolarHBondContact O-CG 3.18Å; I100-L104 PolarHBondContact O-N 3.02Å; E102-L104 PolarHBondContact O-N 3.18Å; L104-V107 PolarHBondContact O-N 3.09Å; L104-A108 WeakPolarHBondContact O-CB 3.22Å; L104-A108 PolarHBondContact O-N 2.74Å
105K94.7Very high96.2Very high115 Ų11537.1 Ų37.150%0.523%0.231SC..Hα-helixtrans-64.4-42.3170.7-68.2173.4-162162.30111.5T101 E102 G103 V107 A108 A109T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.47Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 IonicContact OE2-NZ 3.52Å; E102-K105 PolarHBondContact OE2-NZ 3.28Å; G103-K105 VanDerWaalsContact C-N 3.34Å; G103-K105 PolarHBondContact O-N 3.28Å; K105-V107 VanDerWaalsContact C-N 3.35Å; K105-A108 PolarHBondContact O-N 3.33Å; K105-A109 PolarHBondContact O-N 2.86Å
106A95.7Very high96.2Very high9 Ų937 Ų377%0.07423%0.231CC..Hα-helixtrans-62.9-41.4177.400000111.7E102 G103 A109 G110 M111 L116 V438E102-A106 PolarHBondContact O-N 3.4Å; E102-A106 VanDerWaalsContact O-N 3.13Å; G103-A106 WeakPolarHBondContact O-CB 3.28Å; G103-A106 PolarHBondContact O-N 3.47Å; A106-A109 WeakPolarHBondContact O-CB 3.44Å; A106-A109 PolarHBondContact O-N 2.9Å; A106-G110 PolarHBondContact O-N 2.84Å; A106-M111 HydrophobicContact CB-SD 3.77Å; A106-M111 WeakPolarHBondContact O-CB 3.18Å; A106-M111 PolarHBondContact O-N 3.33Å; A106-L116 HydrophobicContact CB-CD1 3.75Å; A106-L116 HydrophobicContact CB-CD2 3.82Å; A106-L116 HydrophobicContact CB-CG 4.48Å; A106-V438 HydrophobicContact CB-CG1 4.09Å
107V94.3Very high96.2Very high12 Ų1239.5 Ų39.57%0.07324%0.242CC..Hα-helixtrans-62.9-43.8172.8174.90000111.6R13 G103 L104 K105 A109 G110 P113 L116 I515R13-V107 VanDerWaalsContact CZ-CG1 3.45Å; G103-V107 WeakPolarHBondContact O-CG2 3.47Å; G103-V107 PolarHBondContact O-N 2.95Å; L104-V107 PolarHBondContact O-N 3.09Å; K105-V107 VanDerWaalsContact C-N 3.35Å; V107-A109 PolarHBondContact O-N 3.42Å; V107-G110 PolarHBondContact O-N 3.4Å; V107-P113 HydrophobicContact CG1-CG 3.98Å; V107-P113 HydrophobicContact CG2-CB 4.08Å; V107-P113 HydrophobicContact CG2-CG 3.88Å; V107-L116 HydrophobicContact CG2-CD1 3.53Å; V107-I515 HydrophobicContact CG2-CG2 3.76Å
108A92.2Very high96.2Very high73 Ų7344.4 Ų44.460%0.60326%0.26SS*.Hα-helixtrans-63.1-26.517600000112.8L104 K105 G110L104-A108 WeakPolarHBondContact O-CB 3.22Å; L104-A108 PolarHBondContact O-N 2.74Å; K105-A108 PolarHBondContact O-N 3.33Å; A108-G110 PolarHBondContact O-N 3.37Å
109A93.9Very high96.2Very high76 Ų7643.3 Ų43.363%0.62825%0.251SS*.THydrogen-bonded Turntrans-78.32.1172.200000113.9K105 A106 V107K105-A109 PolarHBondContact O-N 2.86Å; A106-A109 WeakPolarHBondContact O-CB 3.44Å; A106-A109 PolarHBondContact O-N 2.9Å; V107-A109 PolarHBondContact O-N 3.42Å
110G94Very high96.2Very high69 Ų6943.3 Ų43.371%0.71125%0.251SS*.THydrogen-bonded Turntrans93.59.6174.100000115.4A106 V107 A108A106-G110 PolarHBondContact O-N 2.84Å; V107-G110 PolarHBondContact O-N 3.4Å; A108-G110 PolarHBondContact O-N 3.37Å
111M95.8Very high96.3Very high50 Ų5045.8 Ų45.825%0.24626%0.264CS..  trans-76.4149.1176.7-61.9176.3-169.900111.6A106 P113 L116 V438A106-M111 HydrophobicContact CB-SD 3.77Å; A106-M111 WeakPolarHBondContact O-CB 3.18Å; A106-M111 PolarHBondContact O-N 3.33Å; M111-P113 VanDerWaalsContact O-CD 3.31Å; M111-P113 WeakPolarHBondContact O-CD 2.86Å; M111-L116 HydrophobicContact CB-CD1 3.95Å; M111-L116 HydrophobicContact CB-CD2 4.34Å; M111-L116 HydrophobicContact CB-CG 4.18Å; M111-L116 HydrophobicContact SD-CD2 4.08Å; M111-V438 HydrophobicContact CE-CB 4.17Å; M111-V438 HydrophobicContact CE-CG1 3.93Å; M111-V438 HydrophobicContact CE-CG2 3.66Å; M111-V438 HydrophobicContact SD-CB 3.59Å; M111-V438 VanDerWaalsContact SD-CB 3.59Å; M111-V438 HydrophobicContact SD-CG1 3.41Å; M111-V438 WeakPolarHBondContact SD-CG1 3.35Å; M111-V438 HydrophobicContact SD-CG2 3.7Å
112N96.4Very high96.4Very high71 Ų7148.1 Ų48.138%0.3827%0.271SS..  trans-68.6119.3179.4-173.3-63.9000111.1M114 D115 L116 D435N112-M114 VanDerWaalsContact C-N 3.26Å; N112-M114 PolarHBondContact O-N 2.94Å; N112-M114 WeakPolarHBondContact OD1-CA 3.5Å; N112-M114 VanDerWaalsContact OD1-CB 3.26Å; N112-M114 WeakPolarHBondContact OD1-CB 3.1Å; N112-M114 PolarHBondContact OD1-N 3.45Å; N112-D115 HydrophobicContact CB-CB 4.27Å; N112-D115 PolarHBondContact O-N 3.29Å; N112-D115 PolarHBondContact OD1-N 3.07Å; N112-L116 WeakPolarHBondContact O-CG 3.18Å; N112-L116 PolarHBondContact O-N 3.44Å; N112-D435 WeakPolarHBondContact CB-OD2 3.44Å; N112-D435 PolarHBondContact N-OD2 3.33Å
113P96Very high96.5Very high21 Ų2144.8 Ų44.814%0.13626%0.255CS..Hα-helixtrans-58.9-33.3-179-24.332.7000114.3V107 M111 K117 I515 T516V107-P113 HydrophobicContact CG1-CG 3.98Å; V107-P113 HydrophobicContact CG2-CB 4.08Å; V107-P113 HydrophobicContact CG2-CG 3.88Å; M111-P113 VanDerWaalsContact O-CD 3.31Å; M111-P113 WeakPolarHBondContact O-CD 2.86Å; P113-K117 PolarHBondContact O-N 3.26Å; P113-I515 HydrophobicContact CB-CG2 4.34Å; P113-T516 HydrophobicContact CB-CG2 4.23Å
114M97.4Very high96.5Very high93 Ų9345.2 Ų45.246%0.45826%0.258SS..Hα-helixtrans-72-38.4-179-61.1-61-63.700111.7N112 K117 R118 T516N112-M114 VanDerWaalsContact C-N 3.26Å; N112-M114 PolarHBondContact O-N 2.94Å; N112-M114 WeakPolarHBondContact OD1-CA 3.5Å; N112-M114 VanDerWaalsContact OD1-CB 3.26Å; N112-M114 WeakPolarHBondContact OD1-CB 3.1Å; N112-M114 PolarHBondContact OD1-N 3.45Å; M114-K117 PolarHBondContact O-N 2.86Å; M114-R118 WeakPolarHBondContact O-CG 3.39Å; M114-R118 PolarHBondContact O-N 3.22Å; M114-T516 HydrophobicContact SD-CG2 3.57Å; M114-T516 VanDerWaalsContact SD-CG2 3.57Å
115D98.3Very high96.7Very high22 Ų2248.6 Ų48.612%0.11828%0.279CS..Hα-helixtrans-74-35.8175.3-83.1-36000112.2N112 K117 R118 G119 N433 D435 Q436N112-D115 HydrophobicContact CB-CB 4.27Å; N112-D115 PolarHBondContact O-N 3.29Å; N112-D115 PolarHBondContact OD1-N 3.07Å; D115-K117 VanDerWaalsContact C-N 3.32Å; D115-K117 PolarHBondContact O-N 3.49Å; D115-R118 PolarHBondContact O-N 3.37Å; D115-R118 IonicContact OD1-CZ 3.52Å; D115-R118 IonicContact OD1-NH1 3.06Å; D115-R118 PolarHBondContact OD1-NH1 3.3Å; D115-G119 PolarHBondContact O-N 2.89Å; D115-N433 VanDerWaalsContact CG-ND2 3.28Å; D115-N433 PolarHBondContact OD2-ND2 3.44Å; D115-D435 HydrophobicContact CB-CB 3.56Å; D115-Q436 HydrophobicContact CB-CG 3.92Å; D115-Q436 VanDerWaalsContact O-CG 3.26Å; D115-Q436 WeakPolarHBondContact O-CG 3.29Å; D115-Q436 PolarHBondContact OD1-NE2 3.26Å
116L98Very high96.9Very high0 Ų044 Ų440%026%0.262CS..Hα-helixtrans-55.5-48.8168.7-73.1170.9000111A106 V107 M111 N112 R118 G119 I120 D435 V438 G439 I515A106-L116 HydrophobicContact CB-CD1 3.75Å; A106-L116 HydrophobicContact CB-CD2 3.82Å; A106-L116 HydrophobicContact CB-CG 4.48Å; V107-L116 HydrophobicContact CG2-CD1 3.53Å; M111-L116 HydrophobicContact CB-CD1 3.95Å; M111-L116 HydrophobicContact CB-CD2 4.34Å; M111-L116 HydrophobicContact CB-CG 4.18Å; M111-L116 HydrophobicContact SD-CD2 4.08Å; N112-L116 WeakPolarHBondContact O-CG 3.18Å; N112-L116 PolarHBondContact O-N 3.44Å; L116-R118 PolarHBondContact O-N 2.81Å; L116-G119 PolarHBondContact O-N 3.33Å; L116-I120 WeakPolarHBondContact O-CG1 3.48Å; L116-I120 PolarHBondContact O-N 3.46Å; L116-D435 WeakPolarHBondContact CD2-O 3.3Å; L116-V438 HydrophobicContact CD2-CB 4.03Å; L116-V438 HydrophobicContact CD2-CG1 3.93Å; L116-G439 WeakPolarHBondContact O-CA 3.31Å; L116-I515 HydrophobicContact CB-CG2 4.48Å; L116-I515 HydrophobicContact CD1-CG2 4.47Å
117K98Very high97Very high51 Ų5143.5 Ų43.522%0.22226%0.259CS..Hα-helixtrans-57.5-47.7175.9-178.1-176.9-178.4-59.10111.9P113 M114 D115 G119 I120 D121 T516P113-K117 PolarHBondContact O-N 3.26Å; M114-K117 PolarHBondContact O-N 2.86Å; D115-K117 VanDerWaalsContact C-N 3.32Å; D115-K117 PolarHBondContact O-N 3.49Å; K117-G119 VanDerWaalsContact C-N 3.28Å; K117-G119 PolarHBondContact O-N 2.94Å; K117-I120 PolarHBondContact O-N 3.21Å; K117-D121 IonicContact NZ-OD1 3.8Å; K117-D121 IonicContact NZ-OD2 2.9Å; K117-D121 PolarHBondContact NZ-OD2 3.05Å; K117-D121 VanDerWaalsContact O-CG 3.25Å; K117-D121 PolarHBondContact O-N 2.93Å; K117-T516 HydrophobicContact CB-CG2 3.94Å; K117-T516 HydrophobicContact CD-CG2 3.92Å; K117-T516 HydrophobicContact CG-CG2 4.5Å
118R98.4Very high97.2Very high124 Ų12443.5 Ų43.547%0.46826%0.258SS..Hα-helixtrans-59.8-39177.8-72.3174.4-168.4122.82.7112.2M114 D115 L116 K122 Q436M114-R118 WeakPolarHBondContact O-CG 3.39Å; M114-R118 PolarHBondContact O-N 3.22Å; D115-R118 PolarHBondContact O-N 3.37Å; D115-R118 IonicContact OD1-CZ 3.52Å; D115-R118 IonicContact OD1-NH1 3.06Å; D115-R118 PolarHBondContact OD1-NH1 3.3Å; L116-R118 PolarHBondContact O-N 2.81Å; R118-K122 WeakPolarHBondContact O-CB 3.37Å; R118-K122 PolarHBondContact O-N 2.82Å; R118-Q436 HydrophobicContact CB-CG 4.1Å
119G98.4Very high97.4Very high0 Ų046.3 Ų46.30%026%0.259CS..Hα-helixtrans-62.5-45.7174.300000112.5D115 L116 K117 K122 A123 Q436 I440D115-G119 PolarHBondContact O-N 2.89Å; L116-G119 PolarHBondContact O-N 3.33Å; K117-G119 VanDerWaalsContact C-N 3.28Å; K117-G119 PolarHBondContact O-N 2.94Å; G119-K122 PolarHBondContact O-N 3.4Å; G119-A123 PolarHBondContact O-N 3.24Å; G119-Q436 WeakPolarHBondContact CA-O 3.23Å; G119-I440 VanDerWaalsContact O-CG1 3.31Å; G119-I440 WeakPolarHBondContact O-CG1 3.47Å
120I98.5Very high97.6Very high0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-60.4-50.8175.7-67.3163.2000110.5I99 L116 K117 K122 A123 V124 G439 V442 A443 A508 I515I99-I120 HydrophobicContact CG2-CD1 3.83Å; I99-I120 HydrophobicContact CG2-CG1 4.47Å; I99-I120 HydrophobicContact CG2-CG2 4.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.48Å; L116-I120 PolarHBondContact O-N 3.46Å; K117-I120 PolarHBondContact O-N 3.21Å; I120-K122 VanDerWaalsContact C-N 3.27Å; I120-K122 PolarHBondContact O-N 3.32Å; I120-A123 PolarHBondContact O-N 3Å; I120-V124 HydrophobicContact CG2-CG2 4.26Å; I120-V124 WeakPolarHBondContact O-CB 3.43Å; I120-V124 VanDerWaalsContact O-CG2 3.25Å; I120-V124 WeakPolarHBondContact O-CG2 3.46Å; I120-V124 PolarHBondContact O-N 3.4Å; I120-G439 VanDerWaalsContact CG1-O 3.27Å; I120-G439 WeakPolarHBondContact CG1-O 3.39Å; I120-V442 HydrophobicContact CD1-CG1 4.09Å; I120-V442 HydrophobicContact CG1-CB 4.5Å; I120-V442 HydrophobicContact CG1-CG1 4.27Å; I120-A443 HydrophobicContact CG1-CB 4.48Å; I120-A443 HydrophobicContact CG2-CB 4.37Å; I120-A508 HydrophobicContact CG2-CB 3.96Å; I120-I515 HydrophobicContact CD1-CD1 3.62Å
121D98.3Very high97.8Very high52 Ų5241.4 Ų41.428%0.27821%0.205SC..Hα-helixtrans-57.8-41.1179.7-67.3-21.2000111.3K117 V124 T125K117-D121 IonicContact NZ-OD1 3.8Å; K117-D121 IonicContact NZ-OD2 2.9Å; K117-D121 PolarHBondContact NZ-OD2 3.05Å; K117-D121 VanDerWaalsContact O-CG 3.25Å; K117-D121 PolarHBondContact O-N 2.93Å; D121-V124 PolarHBondContact O-N 2.76Å; D121-T125 WeakPolarHBondContact O-CB 3.35Å; D121-T125 PolarHBondContact O-N 3.39Å; D121-T125 PolarHBondContact O-OG1 3.05Å
122K98.2Very high97.8Very high87 Ų8744.8 Ų44.838%0.37822%0.218SC..Hα-helixtrans-64.5-45.5177.6-173.6175.7-176.8173.40112R118 G119 I120 A126 L429 R430 I440R118-K122 WeakPolarHBondContact O-CB 3.37Å; R118-K122 PolarHBondContact O-N 2.82Å; G119-K122 PolarHBondContact O-N 3.4Å; I120-K122 VanDerWaalsContact C-N 3.27Å; I120-K122 PolarHBondContact O-N 3.32Å; K122-A126 PolarHBondContact O-N 3.21Å; K122-L429 HydrophobicContact CG-CD2 4.38Å; K122-R430 WeakPolarHBondContact CE-O 3.43Å; K122-R430 PolarHBondContact NZ-O 2.89Å; K122-I440 HydrophobicContact CD-CD1 4.48Å
123A98.4Very high97.8Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-64.4-41.1177.900000111.9G119 I120 A126 A127 L429 I440 A443G119-A123 PolarHBondContact O-N 3.24Å; I120-A123 PolarHBondContact O-N 3Å; A123-A126 PolarHBondContact O-N 3.41Å; A123-A127 WeakPolarHBondContact O-CB 3.05Å; A123-A127 PolarHBondContact O-N 3.34Å; A123-L429 HydrophobicContact CB-CD2 4.26Å; A123-I440 HydrophobicContact CB-CB 4.41Å; A123-I440 HydrophobicContact CB-CG1 4.29Å; A123-I440 HydrophobicContact CB-CG2 4.24Å; A123-A443 HydrophobicContact CB-CB 3.69Å
124V98.2Very high97.7Very high10 Ų1047.4 Ų47.46%0.06124%0.241CC..Hα-helixtrans-67.7-41.8179.3170.70000111.4I120 D121 A126 A127 V128 L504 Q505 A508I120-V124 HydrophobicContact CG2-CG2 4.26Å; I120-V124 WeakPolarHBondContact O-CB 3.43Å; I120-V124 VanDerWaalsContact O-CG2 3.25Å; I120-V124 WeakPolarHBondContact O-CG2 3.46Å; I120-V124 PolarHBondContact O-N 3.4Å; D121-V124 PolarHBondContact O-N 2.76Å; V124-A126 PolarHBondContact O-N 2.95Å; V124-A127 PolarHBondContact O-N 3.26Å; V124-V128 HydrophobicContact CG1-CG2 4.42Å; V124-V128 VanDerWaalsContact O-CG2 3.24Å; V124-V128 WeakPolarHBondContact O-CG2 3.5Å; V124-V128 PolarHBondContact O-N 2.91Å; V124-L504 HydrophobicContact CG1-CD2 4.48Å; V124-L504 HydrophobicContact CG1-CG 4.22Å; V124-L504 HydrophobicContact CG2-CD1 4.33Å; V124-L504 HydrophobicContact CG2-CG 4.29Å; V124-Q505 HydrophobicContact CG1-CG 4.07Å; V124-A508 HydrophobicContact CB-CB 4.31Å; V124-A508 HydrophobicContact CG1-CB 4.23Å; V124-A508 HydrophobicContact CG2-CB 3.45Å; V124-A508 VanDerWaalsContact CG2-CB 3.45Å
125T98.2Very high97.7Very high85 Ų8544.3 Ų44.352%0.52123%0.228SC..Hα-helixtrans-58.8-49.8176.2-570000110.8D121 A127 V128 E129D121-T125 WeakPolarHBondContact O-CB 3.35Å; D121-T125 PolarHBondContact O-N 3.39Å; D121-T125 PolarHBondContact O-OG1 3.05Å; T125-A127 VanDerWaalsContact C-N 3.32Å; T125-A127 PolarHBondContact O-N 3.42Å; T125-V128 PolarHBondContact O-N 2.89Å; T125-E129 PolarHBondContact O-N 3.49Å
126A98.2Very high97.5Very high18 Ų1846.7 Ų46.715%0.14924%0.244CC..Hα-helixtrans-63.4-38176.600000112K122 A123 V124 V128 E129 E130 L426 L429K122-A126 PolarHBondContact O-N 3.21Å; A123-A126 PolarHBondContact O-N 3.41Å; V124-A126 PolarHBondContact O-N 2.95Å; A126-V128 PolarHBondContact O-N 3.36Å; A126-E129 PolarHBondContact O-N 3.23Å; A126-E130 WeakPolarHBondContact O-CG 3.28Å; A126-E130 PolarHBondContact O-N 3.2Å; A126-L426 HydrophobicContact CB-CD1 3.89Å; A126-L426 HydrophobicContact CB-CD2 3.81Å; A126-L429 HydrophobicContact CB-CD2 4.26Å
127A98.3Very high97.2Very high0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-65.1-37.8179.100000112.8A123 V124 T125 E130 L131 V422 L426 M447 L504A123-A127 WeakPolarHBondContact O-CB 3.05Å; A123-A127 PolarHBondContact O-N 3.34Å; V124-A127 PolarHBondContact O-N 3.26Å; T125-A127 VanDerWaalsContact C-N 3.32Å; T125-A127 PolarHBondContact O-N 3.42Å; A127-E130 PolarHBondContact O-N 3.4Å; A127-L131 WeakPolarHBondContact O-CB 3.31Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.38Å; A127-L131 PolarHBondContact O-N 3.36Å; A127-V422 VanDerWaalsContact CA-CG1 3.45Å; A127-V422 HydrophobicContact CB-CG1 3.47Å; A127-V422 VanDerWaalsContact CB-CG1 3.47Å; A127-L426 HydrophobicContact CB-CD1 3.92Å; A127-M447 HydrophobicContact CB-CE 3.56Å; A127-M447 HydrophobicContact CB-SD 4.36Å; A127-L504 HydrophobicContact CB-CD2 3.78Å
128V97.7Very high96.7Very high11 Ų1149.4 Ų49.47%0.06727%0.266CS..Hα-helixtrans-65.3-40.8176.3171.30000111.2V124 T125 A126 E130 K132 R501 Q505V124-V128 HydrophobicContact CG1-CG2 4.42Å; V124-V128 VanDerWaalsContact O-CG2 3.24Å; V124-V128 WeakPolarHBondContact O-CG2 3.5Å; V124-V128 PolarHBondContact O-N 2.91Å; T125-V128 PolarHBondContact O-N 2.89Å; A126-V128 PolarHBondContact O-N 3.36Å; V128-E130 VanDerWaalsContact C-N 3.34Å; V128-K132 WeakPolarHBondContact O-CG 3.48Å; V128-K132 PolarHBondContact O-N 3.34Å; V128-K132 VanDerWaalsContact O-N 3.13Å; V128-R501 HydrophobicContact CG1-CB 4.44Å; V128-R501 HydrophobicContact CG2-CB 4.32Å; V128-Q505 HydrophobicContact CG2-CG 3.52Å
129E97.7Very high95.7Very high133 Ų13347 Ų4762%0.62127%0.268SS*.Hα-helixtrans-62.9-42.7175-68.6178.2170.100111.3T125 A126 K132 A133T125-E129 PolarHBondContact O-N 3.49Å; A126-E129 PolarHBondContact O-N 3.23Å; E129-K132 WeakPolarHBondContact O-CB 3.17Å; E129-K132 PolarHBondContact O-N 3.48Å; E129-A133 PolarHBondContact O-N 3.44Å
130E97.4Very high95.1Very high41 Ų4150.6 Ų50.619%0.19229%0.288CS..Hα-helixtrans-70.1-37.5178.6-70.8-64.417500113.2A126 A127 V128 K132 A133 L134 V422 K425 L426A126-E130 WeakPolarHBondContact O-CG 3.28Å; A126-E130 PolarHBondContact O-N 3.2Å; A127-E130 PolarHBondContact O-N 3.4Å; V128-E130 VanDerWaalsContact C-N 3.34Å; E130-K132 VanDerWaalsContact C-N 3.29Å; E130-K132 PolarHBondContact O-N 3.12Å; E130-A133 PolarHBondContact O-N 3.03Å; E130-A133 VanDerWaalsContact O-N 3.16Å; E130-L134 WeakPolarHBondContact O-CG 3.38Å; E130-L134 PolarHBondContact O-N 3.42Å; E130-V422 HydrophobicContact CB-CG1 4.02Å; E130-V422 HydrophobicContact CB-CG2 3.93Å; E130-K425 HydrophobicContact CG-CD 4.42Å; E130-K425 WeakPolarHBondContact OE1-CE 3.48Å; E130-K425 IonicContact OE1-NZ 2.7Å; E130-K425 PolarHBondContact OE1-NZ 3.2Å; E130-K425 VanDerWaalsContact OE1-NZ 3.1Å; E130-K425 WeakPolarHBondContact OE2-CD 3.5Å; E130-K425 VanDerWaalsContact OE2-CE 3.31Å; E130-K425 WeakPolarHBondContact OE2-CE 3.49Å; E130-K425 IonicContact OE2-NZ 3.95Å; E130-K425 PolarHBondContact OE2-NZ 2.95Å; E130-L426 HydrophobicContact CG-CD2 4.27Å
131L97.6Very high94.6Very high0 Ų052.7 Ų52.70%030%0.303CS..Hα-helixtrans-59.9-41.1171.9-76.6172.1000111.3A127 A133 L134 S135 A418 L419 V422 T500 R501A127-L131 WeakPolarHBondContact O-CB 3.31Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.38Å; A127-L131 PolarHBondContact O-N 3.36Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-L134 PolarHBondContact O-N 2.89Å; L131-S135 PolarHBondContact O-N 2.86Å; L131-S135 VanDerWaalsContact O-N 3.08Å; L131-A418 HydrophobicContact CD2-CB 3.89Å; L131-L419 HydrophobicContact CD1-CD2 4.29Å; L131-V422 HydrophobicContact CD2-CG2 3.85Å; L131-V422 HydrophobicContact CG-CG2 4Å; L131-T500 HydrophobicContact CD1-CG2 4.12Å; L131-T500 HydrophobicContact CD2-CG2 4.15Å; L131-R501 HydrophobicContact CD1-CB 3.9Å
132K96.2Very high94.1Very high122 Ų12256.8 Ų56.853%0.5332%0.318SS..Hα-helixtrans-64.1-39.2174.5-72.8177.1177.9-174.20111.9V128 E129 E130 L134 S135V128-K132 WeakPolarHBondContact O-CG 3.48Å; V128-K132 PolarHBondContact O-N 3.34Å; V128-K132 VanDerWaalsContact O-N 3.13Å; E129-K132 WeakPolarHBondContact O-CB 3.17Å; E129-K132 PolarHBondContact O-N 3.48Å; E130-K132 VanDerWaalsContact C-N 3.29Å; E130-K132 PolarHBondContact O-N 3.12Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-S135 WeakPolarHBondContact O-CB 3.49Å; K132-S135 PolarHBondContact O-N 3.45Å
133A96.3Very high93.6Very high75 Ų7553 Ų5362%0.6230%0.303SS*.Hα-helixtrans-68.8-29.5177.600000113.3E129 E130 L131E129-A133 PolarHBondContact O-N 3.44Å; E130-A133 PolarHBondContact O-N 3.03Å; E130-A133 VanDerWaalsContact O-N 3.16Å; L131-A133 VanDerWaalsContact C-N 3.33Å
134L94.8Very high93.3Very high72 Ų7253.5 Ų53.538%0.37731%0.305SS..Hα-helixtrans-81-15.9173.8-68.8174.9000113.4E130 L131 K132 V412 R421 V422E130-L134 WeakPolarHBondContact O-CG 3.38Å; E130-L134 PolarHBondContact O-N 3.42Å; L131-L134 PolarHBondContact O-N 2.89Å; K132-L134 VanDerWaalsContact C-N 3.32Å; L134-V412 HydrophobicContact CB-CG1 4.16Å; L134-R421 HydrophobicContact CD1-CB 4.25Å; L134-V422 HydrophobicContact CD1-CG2 3.7Å
135S96.1Very high93Very high27 Ų2754 Ų5419%0.18931%0.31CS..  trans-66.6134.8-174.9-167.10000111.9L131 K132 E409 G410 V411 T497L131-S135 PolarHBondContact O-N 2.86Å; L131-S135 VanDerWaalsContact O-N 3.08Å; K132-S135 WeakPolarHBondContact O-CB 3.49Å; K132-S135 PolarHBondContact O-N 3.45Å; S135-E409 PolarHBondContact OG-O 3.46Å; S135-G410 WeakPolarHBondContact OG-CA 3.45Å; S135-V411 WeakPolarHBondContact CA-O 3.29Å; S135-V411 PolarHBondContact OG-N 3.35Å; S135-T497 WeakPolarHBondContact CB-OG1 3.39Å; S135-T497 PolarHBondContact OG-OG1 2.97Å
136V93.9Very high92.8Very high73 Ų7351.6 Ų51.644%0.44229%0.294SS..BIsolated β-bridgetrans-109.4135.6173.8-177.70000108.9C138 G410 V411 I489V136-C138 PolarHBondContact O-N 3.14Å; V136-G410 CarbonylContact O-C 3.09Å; V136-G410 WeakPolarHBondContact O-CA 3.26Å; V136-V411 PolarHBondContact N-O 3.34Å; V136-V411 PolarHBondContact O-N 3.2Å; V136-I489 HydrophobicContact CG2-CD1 4.49Å
137P92.5Very high92.4Very high102 Ų10250.8 Ų50.866%0.66229%0.286SS*.  trans-56130.5178.5-26.134.6000112.8
138C87.4Confident92.1Very high5 Ų550.8 Ų50.83%0.03429%0.286CS..  trans-93.1100.6171.3-172.10000108.2V136 A406 V411V136-C138 PolarHBondContact O-N 3.14Å; C138-A406 HydrophobicContact CB-CB 4.2Å; C138-A406 VanDerWaalsContact CB-O 3.3Å; C138-A406 WeakPolarHBondContact CB-O 3.38Å; C138-V411 HydrophobicContact CB-CG1 4.05Å
139S77.7Confident91.8Very high73 Ų7351.4 Ų51.451%0.5129%0.291SS..  trans-130-18.9-172.364.50000114.9
140D85.8Confident91.5Very high76 Ų7647.6 Ų47.641%0.40627%0.274SS..SBendtrans-100.3149.6179.961.2-71.2000111.8K142 A143 I144D140-K142 PolarHBondContact O-N 2.96Å; D140-K142 VanDerWaalsContact O-N 3.13Å; D140-K142 WeakPolarHBondContact OD2-CB 3.35Å; D140-K142 PolarHBondContact OD2-N 2.75Å; D140-A143 PolarHBondContact O-N 2.7Å; D140-A143 VanDerWaalsContact O-N 3.13Å; D140-A143 WeakPolarHBondContact OD1-CB 3.33Å; D140-A143 PolarHBondContact OD2-N 2.87Å; D140-I144 WeakPolarHBondContact O-CG1 3.31Å; D140-I144 PolarHBondContact O-N 2.7Å; D140-I144 VanDerWaalsContact O-N 3.1Å
141S87Confident91Very high45 Ų4546.6 Ų46.632%0.31527%0.271SS..Hα-helixtrans-55.9-29.6-179.9-173.40000112.7A145 D167S141-A145 WeakPolarHBondContact O-CB 3.35Å; S141-A145 PolarHBondContact O-N 3.21Å; S141-D167 VanDerWaalsContact CB-OD2 3.25Å; S141-D167 WeakPolarHBondContact CB-OD2 3.48Å; S141-D167 PolarHBondContact OG-OD2 2.77Å
142K89.4Confident90.6Very high137 Ų13746.6 Ų46.660%0.59627%0.271SS*.Hα-helixtrans-69.4-48.2176.6179.9-171.4176.2-170.10111.8D140 I144 A145 Q146D140-K142 PolarHBondContact O-N 2.96Å; D140-K142 VanDerWaalsContact O-N 3.13Å; D140-K142 WeakPolarHBondContact OD2-CB 3.35Å; D140-K142 PolarHBondContact OD2-N 2.75Å; K142-I144 VanDerWaalsContact C-N 3.3Å; K142-I144 PolarHBondContact O-N 2.65Å; K142-A145 PolarHBondContact O-N 3.1Å; K142-Q146 WeakPolarHBondContact O-CB 3.35Å; K142-Q146 VanDerWaalsContact O-CG 3.28Å; K142-Q146 WeakPolarHBondContact O-CG 3.49Å; K142-Q146 PolarHBondContact O-N 2.79Å
143A87.6Confident90Very high9 Ų943.4 Ų43.47%0.07426%0.26CS..Hα-helixtrans-61.5-40.3175.900000111.7D140 Q146 V147D140-A143 PolarHBondContact O-N 2.7Å; D140-A143 VanDerWaalsContact O-N 3.13Å; D140-A143 WeakPolarHBondContact OD1-CB 3.33Å; D140-A143 PolarHBondContact OD2-N 2.87Å; A143-Q146 PolarHBondContact O-N 3.34Å; A143-V147 WeakPolarHBondContact O-CG2 3.49Å; A143-V147 PolarHBondContact O-N 2.94Å
144I90.7Very high89.4Confident9 Ų942.7 Ų42.75%0.04625%0.251CS..Hα-helixtrans-59.1-48.9174-70.9174.1000110.8D140 K142 Q146 V147 G148 A163 M166 T403 V407D140-I144 WeakPolarHBondContact O-CG1 3.31Å; D140-I144 PolarHBondContact O-N 2.7Å; D140-I144 VanDerWaalsContact O-N 3.1Å; K142-I144 VanDerWaalsContact C-N 3.3Å; K142-I144 PolarHBondContact O-N 2.65Å; I144-Q146 VanDerWaalsContact C-N 3.33Å; I144-Q146 PolarHBondContact O-N 3.43Å; I144-V147 PolarHBondContact O-N 2.91Å; I144-G148 PolarHBondContact O-N 3.43Å; I144-A163 HydrophobicContact CB-CB 4.49Å; I144-A163 HydrophobicContact CG2-CB 3.88Å; I144-M166 HydrophobicContact CD1-CB 4.45Å; I144-M166 HydrophobicContact CG2-CB 4.33Å; I144-M166 HydrophobicContact CG2-CG 4.15Å; I144-T403 HydrophobicContact CB-CG2 4.41Å; I144-T403 HydrophobicContact CG2-CG2 3.62Å; I144-V407 HydrophobicContact CD1-CG2 4.3Å; I144-V407 HydrophobicContact CG1-CG2 4.3Å
145A93.1Very high89.1Confident20 Ų2040.9 Ų40.917%0.16524%0.241CC..Hα-helixtrans-61.7-40.8177.600000112.1S141 K142 G148 T149 G159 A163S141-A145 WeakPolarHBondContact O-CB 3.35Å; S141-A145 PolarHBondContact O-N 3.21Å; K142-A145 PolarHBondContact O-N 3.1Å; A145-G148 PolarHBondContact O-N 2.92Å; A145-T149 WeakPolarHBondContact O-CB 3.27Å; A145-T149 PolarHBondContact O-N 3.37Å; A145-T149 PolarHBondContact O-OG1 3.16Å; A145-T149 VanDerWaalsContact O-OG1 3.04Å; A145-G159 WeakPolarHBondContact CA-O 3.3Å; A145-A163 HydrophobicContact CB-CB 3.8Å
146Q92.8Very high88.8Confident36 Ų3645.4 Ų45.417%0.16826%0.259CS..Hα-helixtrans-62.8-46.6178.1-75.1173.3-30.800111.9K142 A143 I144 T149 I150 G492 L494K142-Q146 WeakPolarHBondContact O-CB 3.35Å; K142-Q146 VanDerWaalsContact O-CG 3.28Å; K142-Q146 WeakPolarHBondContact O-CG 3.49Å; K142-Q146 PolarHBondContact O-N 2.79Å; A143-Q146 PolarHBondContact O-N 3.34Å; I144-Q146 VanDerWaalsContact C-N 3.33Å; I144-Q146 PolarHBondContact O-N 3.43Å; Q146-T149 PolarHBondContact O-N 3.45Å; Q146-I150 WeakPolarHBondContact O-CG1 3.46Å; Q146-I150 PolarHBondContact O-N 3.06Å; Q146-G492 VanDerWaalsContact CD-CA 3.42Å; Q146-L494 HydrophobicContact CB-CD1 4.14Å
147V91.4Very high88.7Confident0 Ų046 Ų460%026%0.263CS..Hα-helixtrans-60.1-48.8174.6173.30000110.3A143 I144 T149 I150 S151 A402 A406 V411 L494 P496A143-V147 WeakPolarHBondContact O-CG2 3.49Å; A143-V147 PolarHBondContact O-N 2.94Å; I144-V147 PolarHBondContact O-N 2.91Å; V147-T149 VanDerWaalsContact C-N 3.32Å; V147-T149 PolarHBondContact O-N 3.01Å; V147-I150 PolarHBondContact O-N 3.13Å; V147-S151 WeakPolarHBondContact O-CB 3.22Å; V147-S151 PolarHBondContact O-N 3.26Å; V147-S151 PolarHBondContact O-OG 2.95Å; V147-A402 HydrophobicContact CG1-CB 4.31Å; V147-A406 HydrophobicContact CB-CB 4.44Å; V147-A406 HydrophobicContact CG1-CB 3.99Å; V147-A406 HydrophobicContact CG2-CB 3.91Å; V147-V411 HydrophobicContact CG2-CG1 3.64Å; V147-L494 HydrophobicContact CG2-CB 4.28Å; V147-P496 HydrophobicContact CG1-CG 3.84Å
148G91.5Very high88.6Confident0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-58-42.3177.800000112.7I144 A145 A152I144-G148 PolarHBondContact O-N 3.43Å; A145-G148 PolarHBondContact O-N 2.92Å; G148-A152 WeakPolarHBondContact O-CB 3.34Å; G148-A152 PolarHBondContact O-N 3.36Å
149T91.7Very high88.8Confident25 Ų2541 Ų4115%0.15323%0.23CC..Hα-helixtrans-65.4-46.4177.2-68.40000112.1A145 Q146 V147 A152 S154 D155 E156A145-T149 WeakPolarHBondContact O-CB 3.27Å; A145-T149 PolarHBondContact O-N 3.37Å; A145-T149 PolarHBondContact O-OG1 3.16Å; A145-T149 VanDerWaalsContact O-OG1 3.04Å; Q146-T149 PolarHBondContact O-N 3.45Å; V147-T149 VanDerWaalsContact C-N 3.32Å; V147-T149 PolarHBondContact O-N 3.01Å; T149-A152 CarbonylContact O-C 3.57Å; T149-A152 PolarHBondContact O-N 3.01Å; T149-S154 WeakPolarHBondContact O-CA 3.49Å; T149-S154 PolarHBondContact O-N 3.2Å; T149-D155 PolarHBondContact O-N 3Å; T149-D155 PolarHBondContact OG1-O 3.46Å; T149-E156 HydrophobicContact CG2-CG 4.21Å
150I89.6Confident89.6Confident53 Ų5342.6 Ų42.627%0.27223%0.228SC..Hα-helixtrans-64.3-48.1-179.4-67.6-64.1000110.7Q146 V147 A152 N153 G492 I493Q146-I150 WeakPolarHBondContact O-CG1 3.46Å; Q146-I150 PolarHBondContact O-N 3.06Å; V147-I150 PolarHBondContact O-N 3.13Å; I150-A152 VanDerWaalsContact C-N 3.25Å; I150-A152 PolarHBondContact O-N 2.93Å; I150-N153 PolarHBondContact O-N 3.01Å; I150-G492 WeakPolarHBondContact CG1-O 3.27Å; I150-I493 HydrophobicContact CD1-CG1 4.34Å; I150-I493 HydrophobicContact CD1-CG2 4.48Å
151S87.5Confident90Very high19 Ų1939.9 Ų39.913%0.13321%0.214CC..Hα-helixtrans-67-27.2177.6-66.40000112.4D87 V147 N153 A402D87-S151 PolarHBondContact OD2-OG 3.17Å; V147-S151 WeakPolarHBondContact O-CB 3.22Å; V147-S151 PolarHBondContact O-N 3.26Å; V147-S151 PolarHBondContact O-OG 2.95Å; S151-N153 PolarHBondContact O-N 3.37Å; S151-A402 WeakPolarHBondContact OG-CB 3.44Å
152A89Confident90.2Very high0 Ų037.8 Ų37.80%020%0.199CC..THydrogen-bonded Turntrans-85.833.6173.300000114.1G148 T149 I150 S154 D155 V158 R395 A399G148-A152 WeakPolarHBondContact O-CB 3.34Å; G148-A152 PolarHBondContact O-N 3.36Å; T149-A152 CarbonylContact O-C 3.57Å; T149-A152 PolarHBondContact O-N 3.01Å; I150-A152 VanDerWaalsContact C-N 3.25Å; I150-A152 PolarHBondContact O-N 2.93Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 3.46Å; A152-D155 HydrophobicContact CB-CB 4.05Å; A152-D155 WeakPolarHBondContact O-CB 3.14Å; A152-D155 PolarHBondContact O-N 2.8Å; A152-V158 HydrophobicContact CB-CB 3.7Å; A152-V158 HydrophobicContact CB-CG1 3.48Å; A152-V158 VanDerWaalsContact CB-CG1 3.48Å; A152-V158 HydrophobicContact CB-CG2 4.37Å; A152-R395 HydrophobicContact CB-CG 4.31Å; A152-R395 WeakPolarHBondContact O-CD 3.28Å; A152-A399 HydrophobicContact CB-CB 3.91Å
153N84.5Confident90.3Very high56 Ų5631.4 Ų31.430%0.29917%0.172SC..THydrogen-bonded Turntrans55.240.8-179.9-67.9-54.7000114.1I150 S151 D155 R395I150-N153 PolarHBondContact O-N 3.01Å; S151-N153 PolarHBondContact O-N 3.37Å; N153-D155 VanDerWaalsContact C-N 3.3Å; N153-D155 PolarHBondContact O-N 3.13Å; N153-R395 PolarHBondContact ND2-NE 2.9Å
154S83.6Confident90.6Very high60 Ų6035.8 Ų35.842%0.4219%0.191SC..THydrogen-bonded Turntrans66.624.3-175.3-47.50000114.8T149 A152 E156T149-S154 WeakPolarHBondContact O-CA 3.49Å; T149-S154 PolarHBondContact O-N 3.2Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 3.46Å; S154-E156 PolarHBondContact O-N 2.99Å
155D88.4Confident90.6Very high34 Ų3435.4 Ų35.418%0.18219%0.189CC..  trans-80.7101.5172.3-165.9-30.4000110.8T149 A152 N153 T157 V158 G159 R395T149-D155 PolarHBondContact O-N 3Å; T149-D155 PolarHBondContact OG1-O 3.46Å; A152-D155 HydrophobicContact CB-CB 4.05Å; A152-D155 WeakPolarHBondContact O-CB 3.14Å; A152-D155 PolarHBondContact O-N 2.8Å; N153-D155 VanDerWaalsContact C-N 3.3Å; N153-D155 PolarHBondContact O-N 3.13Å; D155-T157 PolarHBondContact O-N 3.3Å; D155-T157 WeakPolarHBondContact OD1-CA 3.28Å; D155-T157 VanDerWaalsContact OD1-CB 3.22Å; D155-T157 WeakPolarHBondContact OD1-CB 3.5Å; D155-T157 PolarHBondContact OD1-N 3.35Å; D155-T157 PolarHBondContact OD1-OG1 3.21Å; D155-V158 HydrophobicContact CB-CB 4.13Å; D155-V158 HydrophobicContact CB-CG2 4.03Å; D155-V158 PolarHBondContact O-N 3.28Å; D155-V158 PolarHBondContact OD1-N 2.92Å; D155-G159 PolarHBondContact O-N 3.34Å; D155-G159 VanDerWaalsContact O-N 3.12Å; D155-R395 IonicContact OD2-NH1 3.64Å
156E90.1Very high90.3Very high121 Ų12135 Ų3557%0.56518%0.184SC*.Hα-helixtrans-62.2-29.9176.5-73.5-167.5-162.100113.3T149 S154 K160T149-E156 HydrophobicContact CG2-CG 4.21Å; S154-E156 PolarHBondContact O-N 2.99Å; E156-K160 WeakPolarHBondContact O-CB 3.28Å; E156-K160 VanDerWaalsContact O-CG 3.26Å; E156-K160 WeakPolarHBondContact O-CG 3.47Å; E156-K160 PolarHBondContact O-N 3.36Å; E156-K160 IonicContact OE2-NZ 3.72Å; E156-K160 PolarHBondContact OE2-NZ 3.38Å
157T90.6Very high90.1Very high86 Ų8638 Ų3853%0.52820%0.201SC..Hα-helixtrans-68.2-47.1-178.4-46.80000109.2D155 K160 L161D155-T157 PolarHBondContact O-N 3.3Å; D155-T157 WeakPolarHBondContact OD1-CA 3.28Å; D155-T157 VanDerWaalsContact OD1-CB 3.22Å; D155-T157 WeakPolarHBondContact OD1-CB 3.5Å; D155-T157 PolarHBondContact OD1-N 3.35Å; D155-T157 PolarHBondContact OD1-OG1 3.21Å; T157-K160 PolarHBondContact O-N 3.36Å; T157-L161 WeakPolarHBondContact O-CB 3.39Å; T157-L161 PolarHBondContact O-N 3.4Å
158V91.1Very high89.9Confident1 Ų143.6 Ų43.61%0.00623%0.225CC..Hα-helixtrans-62.7-45.1176.71750000111.1A152 D155 K160 L161 I162 V396 A399A152-V158 HydrophobicContact CB-CB 3.7Å; A152-V158 HydrophobicContact CB-CG1 3.48Å; A152-V158 VanDerWaalsContact CB-CG1 3.48Å; A152-V158 HydrophobicContact CB-CG2 4.37Å; D155-V158 HydrophobicContact CB-CB 4.13Å; D155-V158 HydrophobicContact CB-CG2 4.03Å; D155-V158 PolarHBondContact O-N 3.28Å; D155-V158 PolarHBondContact OD1-N 2.92Å; V158-K160 PolarHBondContact O-N 2.95Å; V158-L161 PolarHBondContact O-N 2.97Å; V158-I162 HydrophobicContact CG1-CD1 3.73Å; V158-I162 HydrophobicContact CG1-CG1 4.36Å; V158-I162 WeakPolarHBondContact O-CG1 3.48Å; V158-I162 PolarHBondContact O-N 3.04Å; V158-V396 HydrophobicContact CB-CG2 4.49Å; V158-V396 HydrophobicContact CG1-CB 4.3Å; V158-V396 HydrophobicContact CG1-CG1 4.3Å; V158-V396 HydrophobicContact CG1-CG2 3.79Å; V158-V396 HydrophobicContact CG2-CG2 3.86Å; V158-A399 HydrophobicContact CG1-CB 4.32Å
159G92.8Very high89.6Confident0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-60.6-44.2178.200000113.2A145 D155 I162 A163A145-G159 WeakPolarHBondContact CA-O 3.3Å; D155-G159 PolarHBondContact O-N 3.34Å; D155-G159 VanDerWaalsContact O-N 3.12Å; G159-I162 PolarHBondContact O-N 2.82Å; G159-A163 WeakPolarHBondContact O-CB 3.37Å; G159-A163 PolarHBondContact O-N 3.28Å
160K93.7Very high88.9Confident107 Ų10744.8 Ų44.847%0.46524%0.238SC..Hα-helixtrans-62.6-43.9174.7-72.6167.8-168.5156.50111.5E156 T157 V158 I162 A163 E164E156-K160 WeakPolarHBondContact O-CB 3.28Å; E156-K160 VanDerWaalsContact O-CG 3.26Å; E156-K160 WeakPolarHBondContact O-CG 3.47Å; E156-K160 PolarHBondContact O-N 3.36Å; E156-K160 IonicContact OE2-NZ 3.72Å; E156-K160 PolarHBondContact OE2-NZ 3.38Å; T157-K160 PolarHBondContact O-N 3.36Å; V158-K160 PolarHBondContact O-N 2.95Å; K160-I162 PolarHBondContact O-N 3.44Å; K160-A163 PolarHBondContact O-N 2.96Å; K160-E164 WeakPolarHBondContact O-CG 3.48Å; K160-E164 PolarHBondContact O-N 3.3Å
161L93.4Very high88Confident20 Ų2049 Ų4911%0.10526%0.255CS..Hα-helixtrans-62.8-41.3-179.6-163.666.8000112.3T157 V158 E164 A165 D185 L187 I379T157-L161 WeakPolarHBondContact O-CB 3.39Å; T157-L161 PolarHBondContact O-N 3.4Å; V158-L161 PolarHBondContact O-N 2.97Å; L161-E164 PolarHBondContact O-N 2.84Å; L161-A165 WeakPolarHBondContact O-CB 3.31Å; L161-A165 PolarHBondContact O-N 3.43Å; L161-D185 HydrophobicContact CD2-CB 3.76Å; L161-L187 HydrophobicContact CD1-CB 3.65Å; L161-L187 HydrophobicContact CG-CB 4.46Å; L161-I379 HydrophobicContact CD2-CB 4.5Å; L161-I379 HydrophobicContact CD2-CG1 4.41Å; L161-I379 HydrophobicContact CD2-CG2 3.47Å; L161-I379 VanDerWaalsContact CD2-CG2 3.47Å; L161-I379 HydrophobicContact CG-CD1 4.5Å; L161-I379 HydrophobicContact CG-CG1 4.36Å; L161-I379 HydrophobicContact CG-CG2 4.31Å
162I91.9Very high87.1Confident0 Ų056.1 Ų56.10%029%0.286CS..Hα-helixtrans-65.1-42.6175.2-68.8168.9000110.8V158 G159 K160 A165 M166 I379 A399 L400 T403V158-I162 HydrophobicContact CG1-CD1 3.73Å; V158-I162 HydrophobicContact CG1-CG1 4.36Å; V158-I162 WeakPolarHBondContact O-CG1 3.48Å; V158-I162 PolarHBondContact O-N 3.04Å; G159-I162 PolarHBondContact O-N 2.82Å; K160-I162 PolarHBondContact O-N 3.44Å; I162-A165 PolarHBondContact O-N 2.9Å; I162-M166 HydrophobicContact CG2-CG 4.48Å; I162-M166 WeakPolarHBondContact O-CB 3.46Å; I162-M166 WeakPolarHBondContact O-CG 3.49Å; I162-M166 PolarHBondContact O-N 2.93Å; I162-I379 HydrophobicContact CG1-CD1 4.12Å; I162-A399 HydrophobicContact CD1-CB 3.51Å; I162-L400 HydrophobicContact CG2-CD1 4.32Å; I162-T403 HydrophobicContact CG2-CG2 3.88Å
163A92.2Very high86.5Confident3 Ų356.8 Ų56.83%0.02529%0.292CS..Hα-helixtrans-63.4-45.1177.100000112.1I144 A145 G159 K160 A165 M166 D167I144-A163 HydrophobicContact CB-CB 4.49Å; I144-A163 HydrophobicContact CG2-CB 3.88Å; A145-A163 HydrophobicContact CB-CB 3.8Å; G159-A163 WeakPolarHBondContact O-CB 3.37Å; G159-A163 PolarHBondContact O-N 3.28Å; K160-A163 PolarHBondContact O-N 2.96Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 3.48Å; A163-M166 PolarHBondContact O-N 2.88Å; A163-D167 WeakPolarHBondContact O-CB 3.07Å; A163-D167 PolarHBondContact O-N 3.42Å
164E92.7Very high86.4Confident102 Ų10254.9 Ų54.948%0.47728%0.283SS..Hα-helixtrans-61.2-40.6174.4-72.9178.7-16300112.2K160 L161 D167 K168 L187K160-E164 WeakPolarHBondContact O-CG 3.48Å; K160-E164 PolarHBondContact O-N 3.3Å; L161-E164 PolarHBondContact O-N 2.84Å; E164-D167 PolarHBondContact O-N 3.33Å; E164-K168 WeakPolarHBondContact O-CG 3.03Å; E164-K168 PolarHBondContact O-N 3.41Å; E164-L187 HydrophobicContact CB-CD2 3.72Å
165A91Very high86.7Confident0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-61.3-50175.600000110.9L161 I162 A163 D167 K168 V169 I175 L187 A377 I379L161-A165 WeakPolarHBondContact O-CB 3.31Å; L161-A165 PolarHBondContact O-N 3.43Å; I162-A165 PolarHBondContact O-N 2.9Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 3.48Å; A165-D167 VanDerWaalsContact C-N 3.32Å; A165-D167 PolarHBondContact O-N 2.91Å; A165-K168 PolarHBondContact O-N 3.35Å; A165-V169 VanDerWaalsContact O-CG2 3.31Å; A165-V169 WeakPolarHBondContact O-CG2 3.3Å; A165-V169 PolarHBondContact O-N 3.49Å; A165-I175 HydrophobicContact CB-CD1 3.77Å; A165-I175 HydrophobicContact CB-CG1 4.1Å; A165-I175 HydrophobicContact CB-CG2 4.15Å; A165-L187 HydrophobicContact CB-CD1 3.66Å; A165-L187 HydrophobicContact CB-CD2 4.08Å; A165-A377 HydrophobicContact CB-CB 3.98Å; A165-I379 HydrophobicContact CB-CD1 4.24Å; A165-I379 HydrophobicContact CB-CG1 4.44Å
166M87.8Confident86.7Confident13 Ų1351.4 Ų51.46%0.06426%0.26CS..Hα-helixtrans-59.8-39.4177.2-73.9-70.8-175.400112.5I144 I162 A163 G170 I175 L400 T403 R404I144-M166 HydrophobicContact CD1-CB 4.45Å; I144-M166 HydrophobicContact CG2-CB 4.33Å; I144-M166 HydrophobicContact CG2-CG 4.15Å; I162-M166 HydrophobicContact CG2-CG 4.48Å; I162-M166 WeakPolarHBondContact O-CB 3.46Å; I162-M166 WeakPolarHBondContact O-CG 3.49Å; I162-M166 PolarHBondContact O-N 2.93Å; A163-M166 PolarHBondContact O-N 2.88Å; M166-G170 CarbonylContact O-C 3.58Å; M166-G170 WeakPolarHBondContact O-CA 3.32Å; M166-G170 PolarHBondContact O-N 3.32Å; M166-I175 HydrophobicContact CB-CD1 4.4Å; M166-I175 HydrophobicContact CE-CD1 3.64Å; M166-I175 HydrophobicContact CG-CD1 3.6Å; M166-I175 HydrophobicContact SD-CD1 3.45Å; M166-I175 WeakPolarHBondContact SD-CD1 3.44Å; M166-L400 HydrophobicContact CE-CD1 3.87Å; M166-T403 HydrophobicContact CE-CG2 3.98Å; M166-R404 HydrophobicContact CE-CG 3.82Å
167D88.5Confident86.8Confident97 Ų9746.1 Ų46.152%0.51924%0.236SC..Hα-helixtrans-67.5-36.3177.6-75.8-24.3000111.8S141 A163 E164 A165S141-D167 VanDerWaalsContact CB-OD2 3.25Å; S141-D167 WeakPolarHBondContact CB-OD2 3.48Å; S141-D167 PolarHBondContact OG-OD2 2.77Å; A163-D167 WeakPolarHBondContact O-CB 3.07Å; A163-D167 PolarHBondContact O-N 3.42Å; E164-D167 PolarHBondContact O-N 3.33Å; A165-D167 VanDerWaalsContact C-N 3.32Å; A165-D167 PolarHBondContact O-N 2.91Å
168K87.2Confident86.7Confident119 Ų11942.9 Ų42.952%0.51722%0.215SC..Hα-helixtrans-73.8-44.2179.9-73.7-176.2-169.1175.10113.5E164 A165 L187 V189E164-K168 WeakPolarHBondContact O-CG 3.03Å; E164-K168 PolarHBondContact O-N 3.41Å; A165-K168 PolarHBondContact O-N 3.35Å; K168-L187 HydrophobicContact CD-CD2 4.03Å; K168-L187 HydrophobicContact CD-CG 4.49Å; K168-V189 HydrophobicContact CB-CG2 3.86Å; K168-V189 HydrophobicContact CD-CG2 3.45Å; K168-V189 VanDerWaalsContact CD-CG2 3.45Å; K168-V189 HydrophobicContact CG-CG2 4.28Å
169V84.4Confident86.5Confident20 Ų2046.2 Ų46.212%0.12123%0.233CC..Hα-helixtrans-94-10.7-177.8-61.20000113.6A165 G173 I175 V189 G375 A377A165-V169 VanDerWaalsContact O-CG2 3.31Å; A165-V169 WeakPolarHBondContact O-CG2 3.3Å; A165-V169 PolarHBondContact O-N 3.49Å; V169-G173 WeakPolarHBondContact O-CA 3.35Å; V169-I175 HydrophobicContact CG2-CD1 4.38Å; V169-I175 HydrophobicContact CG2-CG1 3.85Å; V169-V189 HydrophobicContact CG1-CG1 4.19Å; V169-G375 WeakPolarHBondContact CG1-O 3.07Å; V169-A377 HydrophobicContact CG1-CB 3.52Å; V169-A377 HydrophobicContact CG2-CB 4.17Å
170G77.8Confident86.1Confident30 Ų3046.5 Ų46.531%0.30924%0.236SC..  trans76.9176.9-175.800000113M166 E172 G173M166-G170 CarbonylContact O-C 3.58Å; M166-G170 WeakPolarHBondContact O-CA 3.32Å; M166-G170 PolarHBondContact O-N 3.32Å; G170-E172 VanDerWaalsContact C-N 3.27Å; G170-E172 PolarHBondContact O-N 3.42Å; G170-G173 PolarHBondContact O-N 2.69Å
171K70Confident85.6Confident141 Ų14148.5 Ų48.561%0.61326%0.257SS*.THydrogen-bonded Turntrans-62.4-30.5-175.2-64.3-175.1180-175.50114.3V407K171-V407 HydrophobicContact CD-CG1 4.5Å
172E67.9Low85.3Confident169 Ų16948.9 Ų48.979%0.7927%0.266SS*.THydrogen-bonded Turntrans-96.20.6178.4-60.4-171.3169.600112.4G170G170-E172 VanDerWaalsContact C-N 3.27Å; G170-E172 PolarHBondContact O-N 3.42Å
173G76.2Confident85.1Confident13 Ų1355.2 Ų55.213%0.13430%0.299CS..  trans-70.2152.7178.600000112.2V169 G170V169-G173 WeakPolarHBondContact O-CA 3.35Å; G170-G173 PolarHBondContact O-N 2.69Å
174V84.3Confident85Confident17 Ų1762.7 Ų62.710%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-94.7130.5179.4-174.70000108.1T176 Q194 T331 V376 A377V174-T176 HydrophobicContact CG1-CG2 4.19Å; V174-Q194 HydrophobicContact CB-CB 4.37Å; V174-Q194 HydrophobicContact CG1-CB 4.14Å; V174-Q194 HydrophobicContact CG2-CB 3.37Å; V174-Q194 HydrophobicContact CG2-CG 4.34Å; V174-T331 HydrophobicContact CG1-CG2 3.76Å; V174-V376 HydrophobicContact CB-CG1 4.42Å; V174-V376 HydrophobicContact CB-CG2 4.22Å; V174-V376 HydrophobicContact CG1-CG1 4.36Å; V174-V376 CarbonylContact O-C 3.57Å; V174-V376 WeakPolarHBondContact O-CA 3.14Å; V174-A377 PolarHBondContact O-N 3.32Å
175I89.1Confident85Confident5 Ų559.3 Ų59.33%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-116.8130.2173.2-56.4166.7000107A165 M166 V169 A377 I379 L400 R404A165-I175 HydrophobicContact CB-CD1 3.77Å; A165-I175 HydrophobicContact CB-CG1 4.1Å; A165-I175 HydrophobicContact CB-CG2 4.15Å; M166-I175 HydrophobicContact CB-CD1 4.4Å; M166-I175 HydrophobicContact CE-CD1 3.64Å; M166-I175 HydrophobicContact CG-CD1 3.6Å; M166-I175 HydrophobicContact SD-CD1 3.45Å; M166-I175 WeakPolarHBondContact SD-CD1 3.44Å; V169-I175 HydrophobicContact CG2-CD1 4.38Å; V169-I175 HydrophobicContact CG2-CG1 3.85Å; I175-A377 CarbonylContact C-O 3.09Å; I175-A377 VanDerWaalsContact CA-O 3.27Å; I175-A377 WeakPolarHBondContact CA-O 3.38Å; I175-A377 HydrophobicContact CG1-CB 4.02Å; I175-A377 HydrophobicContact CG2-CB 4.46Å; I175-I379 HydrophobicContact CG2-CD1 3.75Å; I175-I379 HydrophobicContact CG2-CG1 4.13Å; I175-L400 HydrophobicContact CB-CD1 3.77Å; I175-L400 HydrophobicContact CB-CD2 3.85Å; I175-L400 HydrophobicContact CB-CG 4.46Å; I175-L400 HydrophobicContact CD1-CD1 3.71Å; I175-L400 HydrophobicContact CG1-CD1 4.33Å; I175-L400 HydrophobicContact CG2-CD1 3.83Å; I175-L400 HydrophobicContact CG2-CD2 3.76Å; I175-L400 HydrophobicContact CG2-CG 4.45Å; I175-L400 WeakPolarHBondContact O-CD2 3.4Å; I175-R404 VanDerWaalsContact N-NH2 3.18Å; I175-R404 PolarHBondContact O-NH2 2.82Å
176T89.1Confident85Confident15 Ų1563.6 Ų63.69%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-121.8155.1175.8600000109.8V174 T331 I333 V376 A377 I379V174-T176 HydrophobicContact CG1-CG2 4.19Å; T176-T331 HydrophobicContact CG2-CG2 3.9Å; T176-I333 HydrophobicContact CG2-CD1 3.86Å; T176-I333 HydrophobicContact CG2-CG1 4.45Å; T176-V376 HydrophobicContact CG2-CG1 3.96Å; T176-A377 PolarHBondContact N-O 3.33Å; T176-I379 PolarHBondContact O-N 3.4Å
177V90.2Very high85.3Confident10 Ų1064 Ų646%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-119.1131.1179-169.40000108.5I379 V381 K393 V396 E397 L400V177-I379 CarbonylContact C-O 3.59Å; V177-I379 WeakPolarHBondContact CA-O 3.44Å; V177-I379 HydrophobicContact CG1-CG2 4.46Å; V177-V381 HydrophobicContact CG1-CG2 3.49Å; V177-V381 VanDerWaalsContact CG1-CG2 3.49Å; V177-K393 HydrophobicContact CG1-CG 3.88Å; V177-K393 WeakPolarHBondContact O-CE 3.47Å; V177-V396 HydrophobicContact CG1-CB 4.06Å; V177-V396 HydrophobicContact CG1-CG1 3.95Å; V177-V396 HydrophobicContact CG2-CB 4.43Å; V177-V396 HydrophobicContact CG2-CG1 3.78Å; V177-E397 HydrophobicContact CB-CG 3.77Å; V177-E397 HydrophobicContact CG1-CG 4.29Å; V177-E397 HydrophobicContact CG2-CG 3.79Å; V177-L400 HydrophobicContact CG2-CD2 4.26Å
178E89.3Confident85.4Confident19 Ų1962.1 Ų62.19%0.08933%0.331CS..EExtended strand (participates in β ladder)trans-133.9159-175.1-60.5-167.5-163.600111.9G180 R322 I333 V378 I379 K380 V381E178-G180 PolarHBondContact O-N 3.01Å; E178-R322 VanDerWaalsContact CD-CD 3.48Å; E178-R322 WeakPolarHBondContact OE1-CD 3.22Å; E178-R322 IonicContact OE1-NE 2.7Å; E178-R322 IonicContact OE1-NH1 3.32Å; E178-R322 WeakPolarHBondContact OE2-CD 3.26Å; E178-R322 IonicContact OE2-CZ 2.74Å; E178-R322 IonicContact OE2-NE 2.63Å; E178-R322 IonicContact OE2-NH1 3.25Å; E178-R322 PolarHBondContact OE2-NH1 3.46Å; E178-I333 WeakPolarHBondContact OE1-CD1 3.44Å; E178-V378 HydrophobicContact CB-CG1 4.1Å; E178-V378 VanDerWaalsContact CD-CG1 3.45Å; E178-V378 HydrophobicContact CG-CG1 3.65Å; E178-V378 WeakPolarHBondContact OE1-CG1 3.44Å; E178-I379 PolarHBondContact N-O 2.85Å; E178-K380 WeakPolarHBondContact O-CA 3.43Å; E178-V381 PolarHBondContact O-N 3.46Å
179D87Confident85.5Confident70 Ų7059.7 Ų59.737%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-69.7118.4175.6-59.29.4000108.3M389 K393D179-M389 HydrophobicContact CB-SD 3.7Å; D179-K393 WeakPolarHBondContact OD1-CD 3.5Å; D179-K393 IonicContact OD1-NZ 3.82Å; D179-K393 PolarHBondContact OD1-NZ 2.81Å
180G85.1Confident85.7Confident7 Ų759.7 Ų59.77%0.07233%0.326CS..  trans-79.4150.217600000112E178 V381 M389E178-G180 PolarHBondContact O-N 3.01Å; G180-V381 VanDerWaalsContact CA-O 3.29Å; G180-V381 WeakPolarHBondContact CA-O 3.41Å; G180-V381 PolarHBondContact N-O 2.66Å; G180-M389 WeakPolarHBondContact O-CE 3.44Å
181T83.2Confident86.1Confident149 Ų14962.5 Ų62.591%0.91433%0.331SS*.SBendtrans-89.4-13.3173.5540000113.1
182G86.8Confident87.1Confident28 Ų2855.9 Ų55.929%0.28930%0.303SS..SBendtrans-97.3176.6-179.600000114G382 A383G182-G382 WeakPolarHBondContact O-CA 3.4Å; G182-A383 PolarHBondContact O-N 3.26Å
183L88.3Confident88.2Confident133 Ų13348.3 Ų48.370%0.69627%0.268SS*.SBendtrans-82.5-19.1172.8-68.7172.7000113A384L183-A384 HydrophobicContact CD2-CB 4.13Å
184Q89.6Confident89Confident159 Ų15949.9 Ų49.974%0.74327%0.272SS*.SBendtrans-109.5152.4-176.5-65.5-174.4-18.300110
185D91.8Very high89.4Confident31 Ų3149.1 Ų49.117%0.16627%0.267CS..  trans-75.6142.3174-51.7-45.1000110.2L161 K380 V381 G382 K392L161-D185 HydrophobicContact CD2-CB 3.76Å; D185-K380 VanDerWaalsContact CA-O 3.26Å; D185-K380 WeakPolarHBondContact CA-O 3.47Å; D185-V381 WeakPolarHBondContact OD1-CA 3.14Å; D185-G382 PolarHBondContact OD1-N 3.21Å; D185-K392 WeakPolarHBondContact OD1-CE 3.3Å; D185-K392 IonicContact OD1-NZ 2.65Å; D185-K392 PolarHBondContact OD1-NZ 2.64Å; D185-K392 VanDerWaalsContact OD2-CE 3.22Å; D185-K392 WeakPolarHBondContact OD2-CE 3.43Å; D185-K392 IonicContact OD2-NZ 2.77Å; D185-K392 PolarHBondContact OD2-NZ 3.35Å
186E92.2Very high89.5Confident91 Ų9153.4 Ų53.443%0.42529%0.29SS..EExtended strand (participates in β ladder)trans-127.8147.5178.6-62.3176.3173.100110.2K380E186-K380 HydrophobicContact CB-CB 4.22Å; E186-K380 HydrophobicContact CB-CD 4.29Å; E186-K380 PolarHBondContact N-O 2.95Å; E186-K380 PolarHBondContact O-N 2.88Å; E186-K380 IonicContact OE2-NZ 2.73Å
187L92.7Very high89.8Confident21 Ų2157.5 Ų57.511%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-119.6109.1173.6170.963.5000109.6L161 E164 A165 K168 A377 I379L161-L187 HydrophobicContact CD1-CB 3.65Å; L161-L187 HydrophobicContact CG-CB 4.46Å; E164-L187 HydrophobicContact CB-CD2 3.72Å; A165-L187 HydrophobicContact CB-CD1 3.66Å; A165-L187 HydrophobicContact CB-CD2 4.08Å; K168-L187 HydrophobicContact CD-CD2 4.03Å; K168-L187 HydrophobicContact CD-CG 4.49Å; L187-A377 HydrophobicContact CD1-CB 3.9Å; L187-I379 HydrophobicContact CD1-CG1 4.09Å
188D90.9Very high90.1Very high57 Ų5757.6 Ų57.631%0.30531%0.306SS..EExtended strand (participates in β ladder)trans-101.5151.2171.9-70.9-24.5000110.7A377 V378 K380D188-A377 CarbonylContact O-C 3.49Å; D188-A377 VanDerWaalsContact O-CA 3.31Å; D188-A377 WeakPolarHBondContact O-CA 3.38Å; D188-V378 PolarHBondContact N-O 3.35Å; D188-V378 PolarHBondContact O-N 3.12Å; D188-K380 WeakPolarHBondContact OD2-CE 3.33Å; D188-K380 IonicContact OD2-NZ 3.82Å; D188-K380 PolarHBondContact OD2-NZ 2.84Å
189V89.4Confident90.5Very high69 Ų6958.4 Ų58.442%0.41831%0.309SS..EExtended strand (participates in β ladder)trans-121.3122.8168-178.50000106.9K168 V169 V376 A377K168-V189 HydrophobicContact CB-CG2 3.86Å; K168-V189 HydrophobicContact CD-CG2 3.45Å; K168-V189 VanDerWaalsContact CD-CG2 3.45Å; K168-V189 HydrophobicContact CG-CG2 4.28Å; V169-V189 HydrophobicContact CG1-CG1 4.19Å; V189-V376 WeakPolarHBondContact CA-O 3.32Å; V189-A377 HydrophobicContact CG2-CB 4.46Å
190V88.9Confident91Very high20 Ų2057.2 Ų57.212%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-127.2159.3-176.5-62.10000110.1G192 I333 D334 G375 V376 V378V190-G192 PolarHBondContact O-N 3.43Å; V190-I333 HydrophobicContact CG2-CG2 3.71Å; V190-D334 HydrophobicContact CB-CB 3.96Å; V190-D334 HydrophobicContact CG1-CB 4.29Å; V190-D334 HydrophobicContact CG2-CB 3.99Å; V190-G375 CarbonylContact O-C 3.53Å; V190-G375 WeakPolarHBondContact O-CA 3.46Å; V190-V376 HydrophobicContact CG2-CB 4.21Å; V190-V376 PolarHBondContact N-O 3.48Å; V190-V376 PolarHBondContact O-N 2.84Å; V190-V378 HydrophobicContact CG2-CG2 3.87Å
191E86.1Confident91.5Very high89 Ų8957.5 Ų57.542%0.41630%0.303SS..EExtended strand (participates in β ladder)trans-65.4128.1170.1-63.679.7-176.900109.8L295 D334 G335E191-L295 HydrophobicContact CB-CD1 4.28Å; E191-D334 WeakPolarHBondContact O-CA 3.05Å; E191-D334 PolarHBondContact O-N 3.36Å; E191-G335 PolarHBondContact O-N 3.44Å
192G90Very high92Very high2 Ų254.2 Ų54.22%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-167.6-179.9178.100000112V190 I332 G374V190-G192 PolarHBondContact O-N 3.43Å; G192-I332 CarbonylContact C-O 3.56Å; G192-I332 WeakPolarHBondContact CA-O 3.42Å; G192-G374 VanDerWaalsContact O-O 3.1Å
193M91.7Very high92.4Very high9 Ų959.9 Ų59.94%0.04430%0.298CS..EExtended strand (participates in β ladder)trans-151139-176175.1-177.8-62.400110.4D291 I292 L295 T331 I332 K371 L372M193-D291 HydrophobicContact CE-CB 4.14Å; M193-I292 HydrophobicContact SD-CG1 3.64Å; M193-L295 HydrophobicContact CB-CD2 3.38Å; M193-L295 HydrophobicContact CE-CD2 4.33Å; M193-T331 CarbonylContact O-C 3.59Å; M193-T331 WeakPolarHBondContact O-CA 3.49Å; M193-I332 PolarHBondContact N-O 2.9Å; M193-I332 PolarHBondContact O-N 2.6Å; M193-K371 WeakPolarHBondContact CB-O 3.49Å; M193-K371 HydrophobicContact CG-CB 4.19Å; M193-K371 WeakPolarHBondContact CG-O 3.17Å; M193-L372 HydrophobicContact CE-CB 4.03Å; M193-L372 HydrophobicContact CE-CD1 3.7Å; M193-L372 HydrophobicContact CE-CG 4.47Å
194Q92.3Very high92.7Very high47 Ų4753.8 Ų53.822%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-114.6140.7165.7-175.1177.887.700111.3V174 T329 T330 T331 K371V174-Q194 HydrophobicContact CB-CB 4.37Å; V174-Q194 HydrophobicContact CG1-CB 4.14Å; V174-Q194 HydrophobicContact CG2-CB 3.37Å; V174-Q194 HydrophobicContact CG2-CG 4.34Å; Q194-T329 HydrophobicContact CG-CG2 4.5Å; Q194-T330 CarbonylContact C-O 3.58Å; Q194-T330 VanDerWaalsContact CA-O 3.27Å; Q194-T330 WeakPolarHBondContact CA-O 3.5Å; Q194-T331 HydrophobicContact CB-CG2 4.36Å; Q194-T331 PolarHBondContact NE2-OG1 3.24Å; Q194-K371 WeakPolarHBondContact O-CD 2.98Å; Q194-K371 WeakPolarHBondContact O-CE 3.2Å
195F93.3Very high93Very high0 Ų048.6 Ų48.60%024%0.242CC..EExtended strand (participates in β ladder)trans-139.5155.8173.460.6-92.4000112.6R197 I250 V276 P279 I292 T329 T330 I332F195-R197 HydrophobicContact CD2-CB 3.83Å; F195-R197 HydrophobicContact CD2-CG 4.08Å; F195-R197 HydrophobicContact CE2-CB 3.83Å; F195-R197 HydrophobicContact CE2-CG 4.36Å; F195-R197 PolarHBondContact O-N 3.5Å; F195-I250 HydrophobicContact CE1-CD1 4.3Å; F195-I250 HydrophobicContact CZ-CD1 3.85Å; F195-V276 HydrophobicContact CE2-CG2 4.2Å; F195-V276 HydrophobicContact CZ-CG2 4.21Å; F195-P279 HydrophobicContact CB-CB 3.96Å; F195-P279 HydrophobicContact CB-CG 4.06Å; F195-P279 HydrophobicContact CD2-CB 3.89Å; F195-P279 HydrophobicContact CD2-CG 3.82Å; F195-P279 HydrophobicContact CE2-CG 4.42Å; F195-P279 HydrophobicContact CG-CB 4.16Å; F195-P279 HydrophobicContact CG-CG 3.92Å; F195-I292 HydrophobicContact CD1-CD1 4.14Å; F195-I292 HydrophobicContact CE1-CD1 3.88Å; F195-I292 HydrophobicContact CZ-CD1 4.3Å; F195-T329 VanDerWaalsContact O-CA 3.28Å; F195-T329 WeakPolarHBondContact O-CA 3.37Å; F195-T330 HydrophobicContact CE1-CG2 3.7Å; F195-T330 HydrophobicContact CE2-CG2 4.21Å; F195-T330 VanDerWaalsContact CZ-CB 3.41Å; F195-T330 HydrophobicContact CZ-CG2 3.46Å; F195-T330 VanDerWaalsContact CZ-CG2 3.46Å; F195-T330 PolarHBondContact N-O 3.48Å; F195-T330 PolarHBondContact O-N 2.95Å; F195-I332 HydrophobicContact CE1-CD1 4.12Å; F195-I332 HydrophobicContact CE1-CG1 4.49Å
196D92.2Very high93.1Very high96 Ų9651 Ų5151%0.51326%0.255SS..SBendtrans-84.655.5-164.6-43.8-63.2000112.6D328 K371D196-D328 CarbonylContact C-O 3.52Å; D196-D328 WeakPolarHBondContact CA-O 3.39Å; D196-K371 IonicContact OD2-NZ 2.68Å; D196-K371 PolarHBondContact OD2-NZ 3.37Å
197R95.9Very high92.8Very high101 Ų10150 Ų5038%0.38125%0.249SC..  trans-140119.5173.9-62.6-67.3-171.1-135.13.2109.9F195 K277 A278 P279 D328 T329 T330F195-R197 HydrophobicContact CD2-CB 3.83Å; F195-R197 HydrophobicContact CD2-CG 4.08Å; F195-R197 HydrophobicContact CE2-CB 3.83Å; F195-R197 HydrophobicContact CE2-CG 4.36Å; F195-R197 PolarHBondContact O-N 3.5Å; R197-K277 VanDerWaalsContact CB-O 3.29Å; R197-K277 WeakPolarHBondContact CB-O 3.38Å; R197-K277 HydrophobicContact CG-CB 4.46Å; R197-K277 VanDerWaalsContact CG-O 3.23Å; R197-K277 WeakPolarHBondContact CG-O 3.33Å; R197-A278 PolarHBondContact NE-O 3.17Å; R197-P279 HydrophobicContact CG-CB 4.39Å; R197-D328 CarbonylContact C-O 3.48Å; R197-D328 WeakPolarHBondContact CA-O 3.38Å; R197-D328 PolarHBondContact N-O 3.46Å; R197-T329 CarbonylContact O-C 3.47Å; R197-T330 WeakPolarHBondContact O-CB 3.47Å; R197-T330 PolarHBondContact O-N 3.04Å; R197-T330 PolarHBondContact O-OG1 3.03Å
198G95.9Very high92.3Very high11 Ų1153.6 Ų53.611%0.11327%0.274CS..  trans-91.5-173.1173.200000114V276 N326 K327 D328G198-V276 WeakPolarHBondContact O-CG1 3.45Å; G198-N326 CarbonylContact C-O 3.49Å; G198-N326 WeakPolarHBondContact CA-O 3.42Å; G198-K327 WeakPolarHBondContact CA-O 3.37Å; G198-D328 PolarHBondContact N-O 3.09Å
199Y97.1Very high91.5Very high37 Ų3756.8 Ų56.815%0.14529%0.288CS..BIsolated β-bridgetrans-59.2138.217851.6-107.6000111.3S201 P202 I205 G211 V213 I325 N326 K327Y199-S201 VanDerWaalsContact CD2-C 3.43Å; Y199-S201 WeakPolarHBondContact CD2-O 3.37Å; Y199-S201 PolarHBondContact O-N 3.3Å; Y199-P202 HydrophobicContact CE2-CB 4.01Å; Y199-P202 HydrophobicContact CE2-CG 3.9Å; Y199-I205 HydrophobicContact CD1-CG1 4.4Å; Y199-I205 HydrophobicContact CE1-CD1 4.07Å; Y199-I205 HydrophobicContact CE1-CG1 4Å; Y199-I205 HydrophobicContact CE2-CD1 4.47Å; Y199-G211 WeakPolarHBondContact CE1-O 3.33Å; Y199-V213 HydrophobicContact CD1-CG2 4.13Å; Y199-V213 HydrophobicContact CG-CG2 4.49Å; Y199-I325 HydrophobicContact CD1-CG2 4.3Å; Y199-N326 VanDerWaalsContact CD1-C 3.48Å; Y199-N326 WeakPolarHBondContact CD1-O 3.49Å; Y199-N326 PolarHBondContact N-O 3.35Å; Y199-N326 VanDerWaalsContact N-O 3.13Å; Y199-K327 HydrophobicContact CE1-CB 4.35Å
200L96.7Very high91Very high45 Ų4556.5 Ų56.524%0.23629%0.286CS..SBendtrans-68-23.5175.8-78.7174.6000113V254 L259 A275 K277L200-V254 HydrophobicContact CD1-CB 3.63Å; L200-V254 HydrophobicContact CD1-CG2 4.04Å; L200-L259 HydrophobicContact CB-CD1 4.12Å; L200-A275 WeakPolarHBondContact CB-O 3.33Å; L200-A275 HydrophobicContact CD1-CB 3.89Å; L200-A275 WeakPolarHBondContact CG-O 3.49Å; L200-A275 PolarHBondContact N-O 2.75Å; L200-K277 HydrophobicContact CD2-CD 4.18Å; L200-K277 VanDerWaalsContact CD2-CE 3.48Å; L200-K277 HydrophobicContact CD2-CG 3.54Å; L200-K277 HydrophobicContact CG-CG 4.4Å
201S95.8Very high90.9Very high12 Ų1256.8 Ų56.88%0.08429%0.293CS..  trans-144.1128.8-178.41790000110.5Y199 Y203 F204Y199-S201 VanDerWaalsContact CD2-C 3.43Å; Y199-S201 WeakPolarHBondContact CD2-O 3.37Å; Y199-S201 PolarHBondContact O-N 3.3Å; S201-Y203 PolarHBondContact O-N 3Å; S201-Y203 VanDerWaalsContact O-N 3.08Å; S201-Y203 WeakPolarHBondContact OG-CD2 3.36Å; S201-Y203 PolarHBondContact OG-N 3.39Å; S201-F204 WeakPolarHBondContact O-CD2 3.27Å; S201-F204 PolarHBondContact O-N 2.93Å; S201-F204 VanDerWaalsContact O-N 3.11Å
202P94.2Very high91.1Very high80 Ų8052.9 Ų52.952%0.51928%0.275SS..G310 helixtrans-58.4-19.2172.8-20.829.8000113.5Y199 F204 I205Y199-P202 HydrophobicContact CE2-CB 4.01Å; Y199-P202 HydrophobicContact CE2-CG 3.9Å; P202-F204 PolarHBondContact O-N 3.36Å; P202-I205 HydrophobicContact CB-CD1 4.08Å; P202-I205 VanDerWaalsContact O-CB 3.25Å; P202-I205 WeakPolarHBondContact O-CB 3.45Å; P202-I205 WeakPolarHBondContact O-CD1 3.47Å; P202-I205 WeakPolarHBondContact O-CG1 3.41Å; P202-I205 PolarHBondContact O-N 3.48Å; P202-I205 VanDerWaalsContact O-N 3.09Å
203Y94.7Very high91.4Very high148 Ų14852.8 Ų52.858%0.5828%0.275SS*.G310 helixtrans-71.6-4.6177.4-65.5-71.8000114S201 V263 M267S201-Y203 PolarHBondContact O-N 3Å; S201-Y203 VanDerWaalsContact O-N 3.08Å; S201-Y203 WeakPolarHBondContact OG-CD2 3.36Å; S201-Y203 PolarHBondContact OG-N 3.39Å; Y203-V263 VanDerWaalsContact CB-CG1 3.49Å; Y203-V263 HydrophobicContact CD2-CG1 4.13Å; Y203-V263 HydrophobicContact CG-CG1 3.99Å; Y203-M267 HydrophobicContact CD1-CE 3.89Å; Y203-M267 HydrophobicContact CD1-SD 3.65Å; Y203-M267 HydrophobicContact CE1-CE 4.25Å; Y203-M267 HydrophobicContact CE1-SD 4.35Å; Y203-M267 HydrophobicContact CG-SD 4.01Å
204F96.3Very high91.6Very high4 Ų453.3 Ų53.32%0.01828%0.277CS..G310 helixtrans-83.1-13.2168.4-63.4-49.2000113.3S201 P202 N206 V213 L259 L262 V263 T266 V273 A274 A275S201-F204 WeakPolarHBondContact O-CD2 3.27Å; S201-F204 PolarHBondContact O-N 2.93Å; S201-F204 VanDerWaalsContact O-N 3.11Å; P202-F204 PolarHBondContact O-N 3.36Å; F204-N206 PolarHBondContact O-N 3.11Å; F204-V213 HydrophobicContact CB-CG2 3.88Å; F204-V213 WeakPolarHBondContact O-CG2 3.46Å; F204-L259 HydrophobicContact CE2-CD1 3.91Å; F204-L259 HydrophobicContact CZ-CD1 3.9Å; F204-L262 HydrophobicContact CE1-CB 4.27Å; F204-L262 HydrophobicContact CZ-CB 4.23Å; F204-V263 HydrophobicContact CD1-CG2 4.47Å; F204-V263 HydrophobicContact CE1-CG2 3.79Å; F204-V263 HydrophobicContact CE2-CG2 4.25Å; F204-V263 HydrophobicContact CZ-CG2 3.67Å; F204-T266 HydrophobicContact CD1-CG2 4.17Å; F204-V273 WeakPolarHBondContact CD1-O 3.38Å; F204-A274 HydrophobicContact CB-CB 4.18Å; F204-A274 HydrophobicContact CG-CB 4.29Å; F204-A275 HydrophobicContact CE2-CB 4.05Å; F204-A275 HydrophobicContact CZ-CB 4.3Å
205I94.7Very high91.8Very high50 Ų5051.3 Ų51.326%0.25627%0.268SS..  trans-57.5122-178.4-68169.1000109.7Y199 P202 K207 A212Y199-I205 HydrophobicContact CD1-CG1 4.4Å; Y199-I205 HydrophobicContact CE1-CD1 4.07Å; Y199-I205 HydrophobicContact CE1-CG1 4Å; Y199-I205 HydrophobicContact CE2-CD1 4.47Å; P202-I205 HydrophobicContact CB-CD1 4.08Å; P202-I205 VanDerWaalsContact O-CB 3.25Å; P202-I205 WeakPolarHBondContact O-CB 3.45Å; P202-I205 WeakPolarHBondContact O-CD1 3.47Å; P202-I205 WeakPolarHBondContact O-CG1 3.41Å; P202-I205 PolarHBondContact O-N 3.48Å; P202-I205 VanDerWaalsContact O-N 3.09Å; I205-K207 WeakPolarHBondContact CG2-O 3.47Å; I205-A212 WeakPolarHBondContact CG2-O 3.23Å
206N93Very high91.8Very high81 Ų8155.8 Ų55.843%0.43329%0.289SS..SBendtrans-114.2-4.6174.467.5-1.1000112.7F204 A212 V213 E214F204-N206 PolarHBondContact O-N 3.11Å; N206-A212 PolarHBondContact N-O 3.11Å; N206-V213 WeakPolarHBondContact OD1-CA 3.4Å; N206-E214 PolarHBondContact ND2-O 3.31Å; N206-E214 PolarHBondContact OD1-N 3.08Å
207K87.9Confident92Very high70 Ų7053.9 Ų53.930%0.30428%0.283SS..BIsolated β-bridgetrans-117.884.9167.2-65-60.4-170.8171.10109.5I205 E209 T210 G211 A212 E214I205-K207 WeakPolarHBondContact CG2-O 3.47Å; K207-E209 PolarHBondContact O-N 3.06Å; K207-T210 WeakPolarHBondContact CB-OG1 3.42Å; K207-T210 PolarHBondContact O-N 2.99Å; K207-T210 PolarHBondContact O-OG1 3.37Å; K207-G211 WeakPolarHBondContact O-CA 3.22Å; K207-G211 PolarHBondContact O-N 3.37Å; K207-A212 PolarHBondContact N-O 2.79Å; K207-A212 PolarHBondContact O-N 2.93Å; K207-A212 VanDerWaalsContact O-N 3.15Å; K207-E214 WeakPolarHBondContact CE-OE2 3.49Å; K207-E214 HydrophobicContact CG-CB 4.21Å; K207-E214 HydrophobicContact CG-CG 3.75Å
208P81.8Confident92.1Very high97 Ų9749.1 Ų49.163%0.6327%0.265SS*.THydrogen-bonded Turntrans-67.3-23.4-175.427.7-34.5000113
209E73.7Confident92.2Very high125 Ų12549.3 Ų49.358%0.58426%0.263SS*.THydrogen-bonded Turntrans-67-44.9179.6-50.895.8169.400111.5K207K207-E209 PolarHBondContact O-N 3.06Å
210T78.6Confident92.2Very high63 Ų6347.5 Ų47.539%0.38726%0.256SS..THydrogen-bonded Turntrans-91.4-11.2179.259.20000112.9K207 A212K207-T210 WeakPolarHBondContact CB-OG1 3.42Å; K207-T210 PolarHBondContact O-N 2.99Å; K207-T210 PolarHBondContact O-OG1 3.37Å; T210-A212 VanDerWaalsContact C-N 3.31Å
211G86.5Confident92.3Very high25 Ų2545.4 Ų45.426%0.25824%0.244SC..THydrogen-bonded Turntrans67.830.7-175.600000113Y199 K207Y199-G211 WeakPolarHBondContact CE1-O 3.33Å; K207-G211 WeakPolarHBondContact O-CA 3.22Å; K207-G211 PolarHBondContact O-N 3.37Å
212A91.3Very high92.4Very high7 Ų744.9 Ų44.96%0.05824%0.241CC..BIsolated β-bridgetrans-117.4160.8-174.200000113.1I205 N206 K207 T210 I325I205-A212 WeakPolarHBondContact CG2-O 3.23Å; N206-A212 PolarHBondContact N-O 3.11Å; K207-A212 PolarHBondContact N-O 2.79Å; K207-A212 PolarHBondContact O-N 2.93Å; K207-A212 VanDerWaalsContact O-N 3.15Å; T210-A212 VanDerWaalsContact C-N 3.31Å; A212-I325 CarbonylContact C-O 3.59Å; A212-I325 WeakPolarHBondContact CA-O 3.21Å
213V96Very high92.5Very high1 Ų141 Ų411%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-101.9123.5163.4-168.30000108.2Y199 F204 N206 L215 A274 V324 I325Y199-V213 HydrophobicContact CD1-CG2 4.13Å; Y199-V213 HydrophobicContact CG-CG2 4.49Å; F204-V213 HydrophobicContact CB-CG2 3.88Å; F204-V213 WeakPolarHBondContact O-CG2 3.46Å; N206-V213 WeakPolarHBondContact OD1-CA 3.4Å; V213-L215 HydrophobicContact CG1-CD2 3.77Å; V213-L215 HydrophobicContact CG1-CG 4.08Å; V213-A274 HydrophobicContact CG1-CB 3.84Å; V213-V324 CarbonylContact O-C 3.43Å; V213-V324 WeakPolarHBondContact O-CA 3.36Å; V213-I325 HydrophobicContact CB-CB 4.07Å; V213-I325 HydrophobicContact CB-CD1 4.28Å; V213-I325 HydrophobicContact CG2-CB 4.39Å; V213-I325 PolarHBondContact N-O 3.03Å; V213-I325 PolarHBondContact O-N 3.48Å
214E95.1Very high92.5Very high19 Ų1935 Ų359%0.08919%0.194CC..EExtended strand (participates in β ladder)trans-116119.3172.8-60.9-173158.600109.6N206 K207 R322 V323 V324 K393N206-E214 PolarHBondContact ND2-O 3.31Å; N206-E214 PolarHBondContact OD1-N 3.08Å; K207-E214 WeakPolarHBondContact CE-OE2 3.49Å; K207-E214 HydrophobicContact CG-CB 4.21Å; K207-E214 HydrophobicContact CG-CG 3.75Å; E214-R322 IonicContact OE1-NH2 2.61Å; E214-R322 PolarHBondContact OE1-NH2 3.39Å; E214-R322 IonicContact OE2-CZ 3.82Å; E214-R322 IonicContact OE2-NH2 3.58Å; E214-R322 PolarHBondContact OE2-NH2 3.17Å; E214-V323 WeakPolarHBondContact CA-O 3.06Å; E214-V324 HydrophobicContact CG-CG1 4.48Å; E214-V324 HydrophobicContact CG-CG2 4.37Å; E214-K393 IonicContact OE1-NZ 2.69Å
215L96.2Very high92.4Very high5 Ų536.5 Ų36.53%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-112.4117.8177.9-53.2179.9000109.1V213 P218 P246 L248 A274 R322 V323V213-L215 HydrophobicContact CG1-CD2 3.77Å; V213-L215 HydrophobicContact CG1-CG 4.08Å; L215-P218 HydrophobicContact CB-CB 3.85Å; L215-P218 HydrophobicContact CB-CG 3.91Å; L215-P218 HydrophobicContact CD1-CB 4.25Å; L215-P218 WeakPolarHBondContact O-CD 3.28Å; L215-P246 HydrophobicContact CB-CB 4.13Å; L215-P246 HydrophobicContact CB-CG 4.48Å; L215-P246 HydrophobicContact CD2-CB 3.87Å; L215-P246 HydrophobicContact CG-CB 4.41Å; L215-L248 HydrophobicContact CD1-CB 3.98Å; L215-A274 HydrophobicContact CD1-CB 4.24Å; L215-R322 CarbonylContact O-C 3.29Å; L215-R322 VanDerWaalsContact O-CA 3.32Å; L215-R322 WeakPolarHBondContact O-CA 3.48Å; L215-V323 HydrophobicContact CB-CB 4.43Å; L215-V323 PolarHBondContact N-O 3.33Å; L215-V323 PolarHBondContact O-N 2.96Å
216E95.1Very high92.5Very high95 Ų9538.7 Ų38.744%0.44421%0.208SC..EExtended strand (participates in β ladder)trans-89.5128.3175.9-65.9-60.8154.400110.8P218 P246 R322E216-P218 VanDerWaalsContact C-CD 3.42Å; E216-P246 VanDerWaalsContact O-CD 3.26Å; E216-P246 WeakPolarHBondContact O-CD 3.3Å; E216-P246 WeakPolarHBondContact O-CG 3.47Å; E216-R322 WeakPolarHBondContact OE1-CD 3.37Å; E216-R322 IonicContact OE1-CZ 2.75Å; E216-R322 IonicContact OE1-NE 3.52Å; E216-R322 IonicContact OE1-NH1 3.53Å
217S95.9Very high92.6Very high56 Ų5634.9 Ų34.939%0.39219%0.187SC..SBendtrans4548.9-176.8-60.40000114.5K245 A320 K321S217-K245 WeakPolarHBondContact O-CD 3.34Å; S217-A320 WeakPolarHBondContact CA-O 3.15Å; S217-K321 WeakPolarHBondContact CA-O 3.12Å; S217-K321 PolarHBondContact N-O 3.48Å
218P97.4Very high93Very high0 Ų034.4 Ų34.40%019%0.193CC..  trans-73.6153.6-174.530.6-35000112.6L215 E216 P246 A320 V323L215-P218 HydrophobicContact CB-CB 3.85Å; L215-P218 HydrophobicContact CB-CG 3.91Å; L215-P218 HydrophobicContact CD1-CB 4.25Å; L215-P218 WeakPolarHBondContact O-CD 3.28Å; E216-P218 VanDerWaalsContact C-CD 3.42Å; P218-P246 WeakPolarHBondContact CA-O 3.39Å; P218-P246 HydrophobicContact CB-CB 4.32Å; P218-A320 WeakPolarHBondContact CD-O 3.29Å; P218-V323 HydrophobicContact CG-CB 4.21Å; P218-V323 HydrophobicContact CG-CG2 3.61Å
219F98.2Very high93.6Very high15 Ų1532.2 Ų32.27%0.06618%0.176CC..EExtended strand (participates in β ladder)trans-77.9149.1153.5-71.9-68.5000110.1V240 A243 K245 P246 L247 L248 L314 L317 G318 Q319F219-V240 HydrophobicContact CB-CG2 4.22Å; F219-V240 HydrophobicContact CD2-CB 4.45Å; F219-V240 HydrophobicContact CD2-CG1 4.03Å; F219-V240 HydrophobicContact CD2-CG2 3.93Å; F219-V240 HydrophobicContact CG-CG2 4.31Å; F219-A243 HydrophobicContact CE2-CB 3.77Å; F219-A243 HydrophobicContact CZ-CB 4.47Å; F219-K245 HydrophobicContact CD2-CB 3.84Å; F219-K245 HydrophobicContact CD2-CD 4.07Å; F219-K245 HydrophobicContact CE2-CB 3.9Å; F219-K245 HydrophobicContact CE2-CD 3.56Å; F219-K245 HydrophobicContact CE2-CG 4.25Å; F219-K245 HydrophobicContact CZ-CD 3.97Å; F219-P246 PolarHBondContact N-O 3.43Å; F219-L247 HydrophobicContact CB-CD1 3.98Å; F219-L247 CarbonylContact O-C 3.5Å; F219-L247 WeakPolarHBondContact O-CA 3.27Å; F219-L248 PolarHBondContact O-N 3.02Å; F219-L314 HydrophobicContact CD2-CD2 4.27Å; F219-L314 HydrophobicContact CE1-CD2 4.36Å; F219-L314 HydrophobicContact CE2-CD2 4.01Å; F219-L314 HydrophobicContact CZ-CD2 4.06Å; F219-L317 HydrophobicContact CB-CB 4.17Å; F219-L317 HydrophobicContact CB-CD1 3.76Å; F219-L317 HydrophobicContact CD1-CB 3.96Å; F219-L317 HydrophobicContact CD1-CD1 4.18Å; F219-L317 HydrophobicContact CG-CB 4.44Å; F219-L317 HydrophobicContact CG-CD1 4.01Å; F219-G318 CarbonylContact C-O 3.55Å; F219-G318 WeakPolarHBondContact CA-O 3.38Å; F219-Q319 HydrophobicContact CD1-CG 3.62Å; F219-Q319 HydrophobicContact CE1-CG 3.84Å
220I98.1Very high94.5Very high0 Ų027.1 Ų27.10%015%0.153CC..EExtended strand (participates in β ladder)trans-127.8109.7-176.5-52.2-179.4000108.6L222 L248 I250 T296 L317 G318 A320 V323 I332I220-L222 HydrophobicContact CG2-CD2 3.73Å; I220-L222 HydrophobicContact CG2-CG 4.33Å; I220-L248 CarbonylContact C-O 3.58Å; I220-L248 WeakPolarHBondContact CA-O 3.36Å; I220-L248 HydrophobicContact CG1-CB 4.25Å; I220-L248 HydrophobicContact CG1-CD2 4.43Å; I220-L248 HydrophobicContact CG2-CB 4.37Å; I220-L248 HydrophobicContact CG2-CD2 4.13Å; I220-L248 HydrophobicContact CG2-CG 4.35Å; I220-I250 HydrophobicContact CG2-CD1 3.93Å; I220-I250 HydrophobicContact CG2-CG1 4.22Å; I220-T296 HydrophobicContact CD1-CG2 3.64Å; I220-L317 WeakPolarHBondContact O-CA 3.46Å; I220-G318 PolarHBondContact N-O 3.2Å; I220-G318 PolarHBondContact O-N 3.09Å; I220-A320 HydrophobicContact CD1-CB 4.01Å; I220-V323 HydrophobicContact CD1-CG2 4.09Å; I220-I332 HydrophobicContact CD1-CD1 4.46Å; I220-I332 HydrophobicContact CD1-CG2 4.46Å
221L98Very high95.3Very high0 Ų032.7 Ų32.70%017%0.167CC..EExtended strand (participates in β ladder)trans-87.5124.4172.7174.467.9000109.6M233 L247 L248 I249 I250 I301 L309 L317L221-M233 HydrophobicContact CD2-CE 3.28Å; L221-M233 HydrophobicContact CD2-SD 3.56Å; L221-M233 VanDerWaalsContact CD2-SD 3.56Å; L221-L247 HydrophobicContact CB-CD1 4.13Å; L221-L248 PolarHBondContact N-O 3.31Å; L221-I249 HydrophobicContact CD2-CG1 4.35Å; L221-I249 HydrophobicContact CD2-CG2 4.18Å; L221-I250 PolarHBondContact O-N 2.9Å; L221-I301 HydrophobicContact CD1-CG1 3.97Å; L221-L309 HydrophobicContact CD1-CD1 3.96Å; L221-L309 HydrophobicContact CD2-CD1 4.02Å; L221-L317 HydrophobicContact CB-CD2 3.83Å; L221-L317 HydrophobicContact CD1-CD2 3.66Å; L221-L317 HydrophobicContact CG-CD2 4.35Å
222L97.9Very high95.5Very high1 Ų133.2 Ų33.21%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-111.4114.8177.1-55.4177.7000108.7I220 I250 L289 I292 A293 V300 I301I220-L222 HydrophobicContact CG2-CD2 3.73Å; I220-L222 HydrophobicContact CG2-CG 4.33Å; L222-I250 WeakPolarHBondContact CA-O 3.4Å; L222-I250 HydrophobicContact CD2-CB 3.84Å; L222-I250 HydrophobicContact CD2-CD1 3.74Å; L222-I250 HydrophobicContact CD2-CG1 4.06Å; L222-L289 HydrophobicContact CB-CD2 4.41Å; L222-L289 HydrophobicContact CD2-CD2 4.28Å; L222-I292 HydrophobicContact CD1-CB 4.48Å; L222-I292 HydrophobicContact CD1-CG2 4.17Å; L222-I292 HydrophobicContact CD2-CB 4.42Å; L222-I292 HydrophobicContact CD2-CG2 3.73Å; L222-A293 HydrophobicContact CD1-CB 3.48Å; L222-A293 VanDerWaalsContact CD1-CB 3.48Å; L222-V300 HydrophobicContact CB-CG2 4.33Å; L222-V300 HydrophobicContact CD1-CG2 4.39Å; L222-I301 PolarHBondContact O-N 3Å
223A96.3Very high95.6Very high0 Ų032.9 Ų32.90%016%0.16CC..EExtended strand (participates in β ladder)trans-127.8127-178.400000111.4K225 I227 I250 A251 E252A223-K225 PolarHBondContact O-N 3.14Å; A223-I227 HydrophobicContact CB-CD1 4.12Å; A223-I250 PolarHBondContact N-O 3.26Å; A223-A251 HydrophobicContact CB-CB 4.2Å; A223-A251 VanDerWaalsContact O-CA 3.27Å; A223-A251 WeakPolarHBondContact O-CA 3.44Å; A223-E252 PolarHBondContact O-N 3.39Å
224D95Very high95.5Very high22 Ų2236.5 Ų36.512%0.11818%0.179CC..EExtended strand (participates in β ladder)trans-9145.2175.5-173.938.3000112R285 K286 L289 V300 I301D224-R285 IonicContact OD1-NH1 2.75Å; D224-K286 WeakPolarHBondContact OD2-CD 3.36Å; D224-K286 WeakPolarHBondContact OD2-CE 3.29Å; D224-K286 VanDerWaalsContact OD2-CG 3.25Å; D224-K286 WeakPolarHBondContact OD2-CG 3.34Å; D224-L289 HydrophobicContact CB-CD1 4.02Å; D224-V300 HydrophobicContact CB-CG1 4.12Å; D224-I301 PolarHBondContact N-O 2.96Å
225K94.6Very high95.3Very high34 Ų3438 Ų3815%0.14819%0.19CC..EExtended strand (participates in β ladder)trans-152.5167.7173.771.8178.2-165.3166.30111.3A223 E232 E252 E303A223-K225 PolarHBondContact O-N 3.14Å; K225-E232 VanDerWaalsContact CE-OE2 3.3Å; K225-E232 WeakPolarHBondContact CE-OE2 3.48Å; K225-E232 IonicContact NZ-OE2 2.92Å; K225-E232 PolarHBondContact NZ-OE2 2.64Å; K225-E252 PolarHBondContact O-N 3.08Å; K225-E303 HydrophobicContact CD-CG 4.2Å; K225-E303 WeakPolarHBondContact CD-OE1 3.33Å; K225-E303 IonicContact NZ-OE1 3.88Å; K225-E303 PolarHBondContact NZ-OE1 2.71Å
226K95.6Very high95.2Very high96 Ų9638 Ų3842%0.41719%0.19SC..EExtended strand (participates in β ladder)trans-76.4137.2169.7-65.4-172.9175.4-168.30110.4E252 D253K226-E252 WeakPolarHBondContact CE-OE1 3.1Å; K226-E252 HydrophobicContact CG-CB 4.15Å; K226-E252 HydrophobicContact CG-CG 3.8Å; K226-D253 WeakPolarHBondContact CA-O 3.33Å; K226-D253 HydrophobicContact CD-CB 4.47Å; K226-D253 HydrophobicContact CG-CB 4.09Å
227I96.2Very high95.1Very high1 Ų134.4 Ų34.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-111.4103.6177.4-55.6174.3000108A223 M233 I249 A251 D253 V254 E255 A258 L309A223-I227 HydrophobicContact CB-CD1 4.12Å; I227-M233 HydrophobicContact CD1-SD 3.96Å; I227-M233 HydrophobicContact CG2-CG 3.78Å; I227-M233 HydrophobicContact CG2-SD 4.25Å; I227-I249 HydrophobicContact CD1-CG2 4.01Å; I227-A251 HydrophobicContact CD1-CB 3.7Å; I227-A251 HydrophobicContact CG1-CB 4.08Å; I227-D253 PolarHBondContact N-O 3.33Å; I227-V254 HydrophobicContact CB-CG1 4.48Å; I227-V254 HydrophobicContact CB-CG2 4.35Å; I227-V254 HydrophobicContact CD1-CG2 4.47Å; I227-V254 WeakPolarHBondContact O-CA 3.24Å; I227-E255 PolarHBondContact O-N 3.13Å; I227-A258 HydrophobicContact CG2-CB 4.15Å; I227-L309 HydrophobicContact CD1-CD2 3.92Å; I227-L309 HydrophobicContact CG1-CD2 3.97Å; I227-L309 HydrophobicContact CG2-CD2 4.47Å
228S95.8Very high95Very high60 Ų6038 Ų3842%0.4218%0.184SC..  trans-111.7-24.5178.659.70000113.3E255 A258S228-E255 WeakPolarHBondContact CA-O 3.26Å; S228-A258 WeakPolarHBondContact O-CB 3.44Å; S228-A258 PolarHBondContact O-N 3.29Å; S228-A258 VanDerWaalsContact O-N 3.09Å
229N93.7Very high94.7Very high52 Ų5239.4 Ų39.428%0.27820%0.196SC..  trans-105119.8-178.5-178.91.6000111.1R231 E232N229-R231 PolarHBondContact O-N 3.21Å; N229-R231 WeakPolarHBondContact OD1-CB 3.42Å; N229-R231 WeakPolarHBondContact OD1-CG 3.45Å; N229-R231 PolarHBondContact OD1-N 3.42Å; N229-E232 HydrophobicContact CB-CG 4.45Å; N229-E232 PolarHBondContact O-N 3.47Å
230I93.6Very high94.5Very high18 Ų1839 Ų399%0.09220%0.195CC..G310 helixtrans-67.2-23.3-179-165.263.6000113E232 M233 L234 L237 T261 L262I230-E232 PolarHBondContact O-N 2.87Å; I230-M233 HydrophobicContact CD1-CB 4.31Å; I230-M233 WeakPolarHBondContact O-CB 3.15Å; I230-M233 PolarHBondContact O-N 3.49Å; I230-L234 PolarHBondContact O-N 3.41Å; I230-L237 HydrophobicContact CD1-CD1 3.87Å; I230-T261 HydrophobicContact CD1-CG2 4.3Å; I230-T261 HydrophobicContact CG1-CG2 3.86Å; I230-L262 HydrophobicContact CD1-CD2 4.11Å; I230-L262 HydrophobicContact CD1-CG 4.07Å
231R93.9Very high94.1Very high179 Ų17941.6 Ų41.668%0.67522%0.216SC*.G310 helixtrans-61.1-35.5-178.7-65.8-177.1-176.2-178.51.5112.3N229 M233 L234N229-R231 PolarHBondContact O-N 3.21Å; N229-R231 WeakPolarHBondContact OD1-CB 3.42Å; N229-R231 WeakPolarHBondContact OD1-CG 3.45Å; N229-R231 PolarHBondContact OD1-N 3.42Å; R231-M233 PolarHBondContact O-N 3.1Å; R231-L234 PolarHBondContact O-N 3.32Å
232E92.2Very high93.8Very high37 Ų3750.9 Ų50.917%0.17326%0.256CS..G310 helixtrans-64.2-23.9178.4-63.4178-137.800112.5K225 N229 I230 L309 E310K225-E232 VanDerWaalsContact CE-OE2 3.3Å; K225-E232 WeakPolarHBondContact CE-OE2 3.48Å; K225-E232 IonicContact NZ-OE2 2.92Å; K225-E232 PolarHBondContact NZ-OE2 2.64Å; N229-E232 HydrophobicContact CB-CG 4.45Å; N229-E232 PolarHBondContact O-N 3.47Å; I230-E232 PolarHBondContact O-N 2.87Å; E232-L309 HydrophobicContact CB-CB 4.47Å; E232-L309 HydrophobicContact CB-CD2 4.04Å; E232-L309 HydrophobicContact CB-CG 4.38Å; E232-E310 HydrophobicContact CB-CG 4.17Å; E232-E310 HydrophobicContact CG-CG 4.27Å
233M93.1Very high93.5Very high0 Ų053 Ų530%028%0.275CS..G310 helixtrans-95.8-12.8-177.1-69-67.6-60.600113.6L221 I227 I230 R231 P235 V236 L237 L247 I249 L309L221-M233 HydrophobicContact CD2-CE 3.28Å; L221-M233 HydrophobicContact CD2-SD 3.56Å; L221-M233 VanDerWaalsContact CD2-SD 3.56Å; I227-M233 HydrophobicContact CD1-SD 3.96Å; I227-M233 HydrophobicContact CG2-CG 3.78Å; I227-M233 HydrophobicContact CG2-SD 4.25Å; I230-M233 HydrophobicContact CD1-CB 4.31Å; I230-M233 WeakPolarHBondContact O-CB 3.15Å; I230-M233 PolarHBondContact O-N 3.49Å; R231-M233 PolarHBondContact O-N 3.1Å; M233-P235 VanDerWaalsContact C-CD 3.49Å; M233-V236 PolarHBondContact O-N 3.3Å; M233-L237 HydrophobicContact CB-CD1 3.87Å; M233-L237 HydrophobicContact CB-CG 4.23Å; M233-L237 WeakPolarHBondContact O-CB 3.41Å; M233-L237 VanDerWaalsContact O-CG 3.3Å; M233-L237 WeakPolarHBondContact O-CG 3.35Å; M233-L237 PolarHBondContact O-N 3.47Å; M233-L247 HydrophobicContact CE-CD2 4.41Å; M233-I249 HydrophobicContact CE-CD1 3.55Å; M233-I249 HydrophobicContact CE-CG1 4.06Å; M233-L309 HydrophobicContact CG-CD2 4.38Å; M233-L309 HydrophobicContact SD-CD1 4.06Å; M233-L309 HydrophobicContact SD-CD2 3.69Å; M233-L309 HydrophobicContact SD-CG 4.03Å
234L92.6Very high93.3Very high77 Ų7756.1 Ų56.140%0.40331%0.306SS..Hα-helixtrans-54.5-45.7-174.7-69.8174.4000112.9I230 R231 V236 L237 E238I230-L234 PolarHBondContact O-N 3.41Å; R231-L234 PolarHBondContact O-N 3.32Å; L234-V236 PolarHBondContact O-N 2.77Å; L234-L237 PolarHBondContact O-N 2.83Å; L234-E238 WeakPolarHBondContact O-CB 3.46Å; L234-E238 VanDerWaalsContact O-CG 3.29Å; L234-E238 WeakPolarHBondContact O-CG 3.39Å; L234-E238 PolarHBondContact O-N 2.69Å
235P92.5Very high93.2Very high51 Ų5158.6 Ų58.633%0.33132%0.316SS..Hα-helixtrans-60.3-44.4-179.3-25.537.6000112.9M233 A239 E310M233-P235 VanDerWaalsContact C-CD 3.49Å; P235-A239 WeakPolarHBondContact O-CB 3.06Å; P235-A239 PolarHBondContact O-N 3.27Å; P235-E310 WeakPolarHBondContact CG-O 3.4Å
236V93.9Very high93.3Very high3 Ų357.7 Ų57.72%0.01831%0.314CS..Hα-helixtrans-66.2-46.2177.7174.70000110.8M233 L234 E238 A239 V240 L247 A312 L317M233-V236 PolarHBondContact O-N 3.3Å; L234-V236 PolarHBondContact O-N 2.77Å; V236-E238 PolarHBondContact O-N 3.27Å; V236-A239 PolarHBondContact O-N 3.2Å; V236-V240 HydrophobicContact CG1-CG2 4.23Å; V236-V240 WeakPolarHBondContact O-CB 3.5Å; V236-V240 VanDerWaalsContact O-CG2 3.25Å; V236-V240 WeakPolarHBondContact O-CG2 3.25Å; V236-V240 PolarHBondContact O-N 2.95Å; V236-L247 HydrophobicContact CG1-CD2 4.04Å; V236-A312 HydrophobicContact CG2-CB 3.83Å; V236-L317 HydrophobicContact CG1-CD1 4.04Å; V236-L317 HydrophobicContact CG1-CD2 4.23Å
237L93.5Very high93.4Very high21 Ų2153.2 Ų53.211%0.1129%0.294CS..Hα-helixtrans-62.9-42-179.4-71.3171.7000112I230 M233 L234 A241 L247 L262 V273I230-L237 HydrophobicContact CD1-CD1 3.87Å; M233-L237 HydrophobicContact CB-CD1 3.87Å; M233-L237 HydrophobicContact CB-CG 4.23Å; M233-L237 WeakPolarHBondContact O-CB 3.41Å; M233-L237 VanDerWaalsContact O-CG 3.3Å; M233-L237 WeakPolarHBondContact O-CG 3.35Å; M233-L237 PolarHBondContact O-N 3.47Å; L234-L237 PolarHBondContact O-N 2.83Å; L237-A241 WeakPolarHBondContact O-CB 3.36Å; L237-A241 PolarHBondContact O-N 3.43Å; L237-L247 HydrophobicContact CD2-CD2 3.85Å; L237-L262 HydrophobicContact CD1-CD2 4Å; L237-L262 HydrophobicContact CD2-CD2 3.94Å; L237-V273 HydrophobicContact CD2-CG2 3.99Å
238E92.3Very high93.5Very high131 Ų13153.1 Ų53.161%0.61229%0.294SS*.Hα-helixtrans-64.6-44.1176.1-73.7176.3-174.200111.6L234 V236 A241 K242L234-E238 WeakPolarHBondContact O-CB 3.46Å; L234-E238 VanDerWaalsContact O-CG 3.29Å; L234-E238 WeakPolarHBondContact O-CG 3.39Å; L234-E238 PolarHBondContact O-N 2.69Å; V236-E238 PolarHBondContact O-N 3.27Å; E238-A241 PolarHBondContact O-N 2.91Å; E238-K242 WeakPolarHBondContact O-CB 3.24Å; E238-K242 PolarHBondContact O-N 3.43Å
239A92.8Very high93.6Very high30 Ų3050.3 Ų50.325%0.24827%0.274CS..Hα-helixtrans-63.9-44.2178.700000112P235 V236 K242 A243 L314P235-A239 WeakPolarHBondContact O-CB 3.06Å; P235-A239 PolarHBondContact O-N 3.27Å; V236-A239 PolarHBondContact O-N 3.2Å; A239-K242 PolarHBondContact O-N 3.4Å; A239-A243 PolarHBondContact O-N 3.47Å; A239-L314 HydrophobicContact CB-CD1 4.25Å; A239-L314 HydrophobicContact CB-CD2 3.86Å; A239-L314 HydrophobicContact CB-CG 3.86Å
240V92.5Very high93.8Very high7 Ų747.9 Ų47.94%0.04226%0.261CS..Hα-helixtrans-69.2-41.9178.5174.80000111.4F219 V236 K242 A243 G244 K245 L247 L314 L317F219-V240 HydrophobicContact CB-CG2 4.22Å; F219-V240 HydrophobicContact CD2-CB 4.45Å; F219-V240 HydrophobicContact CD2-CG1 4.03Å; F219-V240 HydrophobicContact CD2-CG2 3.93Å; F219-V240 HydrophobicContact CG-CG2 4.31Å; V236-V240 HydrophobicContact CG1-CG2 4.23Å; V236-V240 WeakPolarHBondContact O-CB 3.5Å; V236-V240 VanDerWaalsContact O-CG2 3.25Å; V236-V240 WeakPolarHBondContact O-CG2 3.25Å; V236-V240 PolarHBondContact O-N 2.95Å; V240-K242 VanDerWaalsContact C-N 3.29Å; V240-K242 PolarHBondContact O-N 3.15Å; V240-A243 CarbonylContact O-C 3.57Å; V240-A243 WeakPolarHBondContact O-CB 3.32Å; V240-A243 PolarHBondContact O-N 3.26Å; V240-A243 VanDerWaalsContact O-N 3.1Å; V240-G244 PolarHBondContact O-N 3.12Å; V240-K245 WeakPolarHBondContact CG1-O 3.25Å; V240-L247 HydrophobicContact CG1-CB 4Å; V240-L247 HydrophobicContact CG2-CD1 4.18Å; V240-L314 HydrophobicContact CG2-CD2 3.83Å; V240-L317 HydrophobicContact CG2-CD1 3.75Å
241A90.3Very high94Very high54 Ų5447 Ų4745%0.44626%0.256SS..Hα-helixtrans-59.8-40.717500000111.7L237 E238 A243 G244 V271L237-A241 WeakPolarHBondContact O-CB 3.36Å; L237-A241 PolarHBondContact O-N 3.43Å; E238-A241 PolarHBondContact O-N 2.91Å; A241-A243 VanDerWaalsContact C-N 3.32Å; A241-A243 PolarHBondContact O-N 3.29Å; A241-G244 PolarHBondContact O-N 3.46Å; A241-G244 VanDerWaalsContact O-N 3.11Å; A241-V271 HydrophobicContact CB-CG1 4.47Å
242K91.9Very high94.1Very high194 Ų19441.4 Ų41.484%0.84324%0.238SC*.Hα-helixtrans-65.1-34.6174.7-173.5179.4179.2-176.80112.7E238 A239 V240 G244E238-K242 WeakPolarHBondContact O-CB 3.24Å; E238-K242 PolarHBondContact O-N 3.43Å; A239-K242 PolarHBondContact O-N 3.4Å; V240-K242 VanDerWaalsContact C-N 3.29Å; V240-K242 PolarHBondContact O-N 3.15Å; K242-G244 PolarHBondContact O-N 2.8Å
243A91.5Very high94.3Very high47 Ų4740.7 Ų40.739%0.38824%0.235SC..Hα-helixtrans-74-12.9174.500000113.2F219 A239 V240 A241 K245F219-A243 HydrophobicContact CE2-CB 3.77Å; F219-A243 HydrophobicContact CZ-CB 4.47Å; A239-A243 PolarHBondContact O-N 3.47Å; V240-A243 CarbonylContact O-C 3.57Å; V240-A243 WeakPolarHBondContact O-CB 3.32Å; V240-A243 PolarHBondContact O-N 3.26Å; V240-A243 VanDerWaalsContact O-N 3.1Å; A241-A243 VanDerWaalsContact C-N 3.32Å; A241-A243 PolarHBondContact O-N 3.29Å; A243-K245 PolarHBondContact O-N 3.39Å
244G90.9Very high94.5Very high64 Ų6440.8 Ų40.866%0.6624%0.236SC*.THydrogen-bonded Turntrans67.713.1178.900000114.5V240 A241 K242V240-G244 PolarHBondContact O-N 3.12Å; A241-G244 PolarHBondContact O-N 3.46Å; A241-G244 VanDerWaalsContact O-N 3.11Å; K242-G244 PolarHBondContact O-N 2.8Å
245K94.2Very high94.6Very high75 Ų7540.6 Ų40.633%0.32623%0.233SC..  trans-98.9155.1179.5-74.8-178.9168.5-166.60111.1S217 F219 V240 A243S217-K245 WeakPolarHBondContact O-CD 3.34Å; F219-K245 HydrophobicContact CD2-CB 3.84Å; F219-K245 HydrophobicContact CD2-CD 4.07Å; F219-K245 HydrophobicContact CE2-CB 3.9Å; F219-K245 HydrophobicContact CE2-CD 3.56Å; F219-K245 HydrophobicContact CE2-CG 4.25Å; F219-K245 HydrophobicContact CZ-CD 3.97Å; V240-K245 WeakPolarHBondContact CG1-O 3.25Å; A243-K245 PolarHBondContact O-N 3.39Å
246P96.6Very high94.7Very high15 Ų1540.8 Ų40.810%0.09724%0.244CC..  trans-70.3162.4171.3-12.327.8000112.6L215 E216 P218 F219 K272L215-P246 HydrophobicContact CB-CB 4.13Å; L215-P246 HydrophobicContact CB-CG 4.48Å; L215-P246 HydrophobicContact CD2-CB 3.87Å; L215-P246 HydrophobicContact CG-CB 4.41Å; E216-P246 VanDerWaalsContact O-CD 3.26Å; E216-P246 WeakPolarHBondContact O-CD 3.3Å; E216-P246 WeakPolarHBondContact O-CG 3.47Å; P218-P246 WeakPolarHBondContact CA-O 3.39Å; P218-P246 HydrophobicContact CB-CB 4.32Å; F219-P246 PolarHBondContact N-O 3.43Å; P246-K272 CarbonylContact C-O 3.57Å; P246-K272 WeakPolarHBondContact CA-O 3.48Å; P246-K272 HydrophobicContact CB-CB 3.94Å; P246-K272 WeakPolarHBondContact CB-O 3.44Å; P246-K272 HydrophobicContact CG-CB 4.38Å; P246-K272 HydrophobicContact CG-CD 4.5Å
247L97.7Very high94.7Very high1 Ų146.4 Ų46.41%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-122.5127.7174.8-176.759.6000111F219 L221 M233 V236 L237 V240 I249 K272 V273 A274 L317F219-L247 HydrophobicContact CB-CD1 3.98Å; F219-L247 CarbonylContact O-C 3.5Å; F219-L247 WeakPolarHBondContact O-CA 3.27Å; L221-L247 HydrophobicContact CB-CD1 4.13Å; M233-L247 HydrophobicContact CE-CD2 4.41Å; V236-L247 HydrophobicContact CG1-CD2 4.04Å; L237-L247 HydrophobicContact CD2-CD2 3.85Å; V240-L247 HydrophobicContact CG1-CB 4Å; V240-L247 HydrophobicContact CG2-CD1 4.18Å; L247-I249 HydrophobicContact CD2-CD1 4.23Å; L247-I249 HydrophobicContact CD2-CG1 3.96Å; L247-I249 HydrophobicContact CG-CG1 3.99Å; L247-K272 PolarHBondContact N-O 3.05Å; L247-V273 HydrophobicContact CB-CG1 4.33Å; L247-V273 HydrophobicContact CB-CG2 4.13Å; L247-V273 CarbonylContact O-C 3.56Å; L247-V273 VanDerWaalsContact O-CA 3.27Å; L247-V273 WeakPolarHBondContact O-CA 3.41Å; L247-A274 PolarHBondContact O-N 3.15Å; L247-L317 HydrophobicContact CD1-CD1 4.39Å
248L98.3Very high94.9Very high0 Ų045.4 Ų45.40%027%0.265CS..EExtended strand (participates in β ladder)trans-97.1130.7161.2177.458.5000109.4L215 F219 I220 L221 I250 A274 V276 V323 I325 T330L215-L248 HydrophobicContact CD1-CB 3.98Å; F219-L248 PolarHBondContact O-N 3.02Å; I220-L248 CarbonylContact C-O 3.58Å; I220-L248 WeakPolarHBondContact CA-O 3.36Å; I220-L248 HydrophobicContact CG1-CB 4.25Å; I220-L248 HydrophobicContact CG1-CD2 4.43Å; I220-L248 HydrophobicContact CG2-CB 4.37Å; I220-L248 HydrophobicContact CG2-CD2 4.13Å; I220-L248 HydrophobicContact CG2-CG 4.35Å; L221-L248 PolarHBondContact N-O 3.31Å; L248-I250 HydrophobicContact CD2-CD1 3.88Å; L248-I250 HydrophobicContact CD2-CG1 3.96Å; L248-I250 HydrophobicContact CG-CD1 4.36Å; L248-I250 HydrophobicContact CG-CG1 3.89Å; L248-A274 CarbonylContact C-O 3.49Å; L248-A274 WeakPolarHBondContact CA-O 3.47Å; L248-V276 HydrophobicContact CD1-CG1 4.23Å; L248-V276 HydrophobicContact CD1-CG2 4.13Å; L248-V323 HydrophobicContact CD2-CB 4.41Å; L248-V323 HydrophobicContact CD2-CG1 3.65Å; L248-V323 HydrophobicContact CD2-CG2 4.14Å; L248-I325 HydrophobicContact CD1-CD1 3.55Å; L248-T330 HydrophobicContact CD2-CG2 4.42Å
249I98.2Very high95Very high1 Ų141 Ų411%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-108.6118.8172.9-56.3168.7000108.4L221 I227 M233 L247 A251 V254 L262 V273 A274 A275 V276L221-I249 HydrophobicContact CD2-CG1 4.35Å; L221-I249 HydrophobicContact CD2-CG2 4.18Å; I227-I249 HydrophobicContact CD1-CG2 4.01Å; M233-I249 HydrophobicContact CE-CD1 3.55Å; M233-I249 HydrophobicContact CE-CG1 4.06Å; L247-I249 HydrophobicContact CD2-CD1 4.23Å; L247-I249 HydrophobicContact CD2-CG1 3.96Å; L247-I249 HydrophobicContact CG-CG1 3.99Å; I249-A251 HydrophobicContact CG2-CB 4.25Å; I249-V254 HydrophobicContact CG2-CG2 3.89Å; I249-L262 HydrophobicContact CD1-CD1 3.65Å; I249-L262 HydrophobicContact CD1-CD2 4.35Å; I249-V273 HydrophobicContact CD1-CG1 3.62Å; I249-V273 HydrophobicContact CG1-CG1 4.08Å; I249-A274 PolarHBondContact N-O 2.89Å; I249-A275 HydrophobicContact CB-CB 4.12Å; I249-A275 WeakPolarHBondContact O-CA 3.48Å; I249-V276 PolarHBondContact O-N 3.22Å
250I98.2Very high95.2Very high0 Ų042.2 Ų42.20%026%0.255CS..EExtended strand (participates in β ladder)trans-113.5104.5171.6-47.4-176.6000107.1F195 I220 L221 L222 A223 L248 V276 A278 L289 I292F195-I250 HydrophobicContact CE1-CD1 4.3Å; F195-I250 HydrophobicContact CZ-CD1 3.85Å; I220-I250 HydrophobicContact CG2-CD1 3.93Å; I220-I250 HydrophobicContact CG2-CG1 4.22Å; L221-I250 PolarHBondContact O-N 2.9Å; L222-I250 WeakPolarHBondContact CA-O 3.4Å; L222-I250 HydrophobicContact CD2-CB 3.84Å; L222-I250 HydrophobicContact CD2-CD1 3.74Å; L222-I250 HydrophobicContact CD2-CG1 4.06Å; A223-I250 PolarHBondContact N-O 3.26Å; L248-I250 HydrophobicContact CD2-CD1 3.88Å; L248-I250 HydrophobicContact CD2-CG1 3.96Å; L248-I250 HydrophobicContact CG-CD1 4.36Å; L248-I250 HydrophobicContact CG-CG1 3.89Å; I250-V276 HydrophobicContact CB-CG2 4.27Å; I250-V276 HydrophobicContact CD1-CG2 4.49Å; I250-V276 HydrophobicContact CG1-CG2 3.77Å; I250-V276 HydrophobicContact CG2-CG2 4.23Å; I250-A278 HydrophobicContact CG2-CB 4.07Å; I250-L289 HydrophobicContact CB-CD2 4.42Å; I250-L289 HydrophobicContact CG2-CD2 3.79Å; I250-I292 HydrophobicContact CD1-CD1 4.29Å; I250-I292 HydrophobicContact CD1-CG2 4.09Å
251A97.1Very high95.3Very high0 Ų043.8 Ų43.80%027%0.265CS..EExtended strand (participates in β ladder)trans-128.6168.6-177.700000111.1A223 I227 I249 D253 V254 V276 K277 A278A223-A251 HydrophobicContact CB-CB 4.2Å; A223-A251 VanDerWaalsContact O-CA 3.27Å; A223-A251 WeakPolarHBondContact O-CA 3.44Å; I227-A251 HydrophobicContact CD1-CB 3.7Å; I227-A251 HydrophobicContact CG1-CB 4.08Å; I249-A251 HydrophobicContact CG2-CB 4.25Å; A251-D253 PolarHBondContact O-N 3.03Å; A251-V254 HydrophobicContact CB-CG2 3.96Å; A251-V276 PolarHBondContact N-O 3.24Å; A251-K277 CarbonylContact O-C 3.56Å; A251-K277 WeakPolarHBondContact O-CA 3.37Å; A251-A278 PolarHBondContact O-N 2.67Å
252E96Very high95.6Very high61 Ų6141.3 Ų41.329%0.28524%0.244SC..EExtended strand (participates in β ladder)trans-51.8-46.5170.1170.6170.1177.800110.9A223 K225 K226 R285A223-E252 PolarHBondContact O-N 3.39Å; K225-E252 PolarHBondContact O-N 3.08Å; K226-E252 WeakPolarHBondContact CE-OE1 3.1Å; K226-E252 HydrophobicContact CG-CB 4.15Å; K226-E252 HydrophobicContact CG-CG 3.8Å; E252-R285 VanDerWaalsContact CD-CZ 3.43Å; E252-R285 VanDerWaalsContact CG-CZ 3.45Å; E252-R285 VanDerWaalsContact CG-NH1 3.34Å; E252-R285 IonicContact OE1-CZ 3.93Å; E252-R285 IonicContact OE1-NH1 3.69Å; E252-R285 IonicContact OE1-NH2 2.59Å; E252-R285 PolarHBondContact OE1-NH2 3.45Å; E252-R285 IonicContact OE2-CZ 2.67Å; E252-R285 IonicContact OE2-NH1 2.85Å; E252-R285 PolarHBondContact OE2-NH1 3.42Å; E252-R285 IonicContact OE2-NH2 2.89Å
253D95.9Very high95.7Very high23 Ų2332.8 Ų32.812%0.12321%0.208CC..EExtended strand (participates in β ladder)trans-159155.3169.7-144-20.9000109.6K226 I227 A251 K277K226-D253 WeakPolarHBondContact CA-O 3.33Å; K226-D253 HydrophobicContact CD-CB 4.47Å; K226-D253 HydrophobicContact CG-CB 4.09Å; I227-D253 PolarHBondContact N-O 3.33Å; A251-D253 PolarHBondContact O-N 3.03Å; D253-K277 VanDerWaalsContact CG-CE 3.5Å; D253-K277 VanDerWaalsContact CG-NZ 3.26Å; D253-K277 WeakPolarHBondContact OD1-CE 3.35Å; D253-K277 IonicContact OD1-NZ 2.84Å; D253-K277 PolarHBondContact OD1-NZ 3.49Å; D253-K277 WeakPolarHBondContact OD2-CE 3.33Å; D253-K277 IonicContact OD2-NZ 3.87Å; D253-K277 PolarHBondContact OD2-NZ 3.13Å
254V96.8Very high95.9Very high1 Ų133.4 Ų33.41%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-122.7113.2167.3-173.70000107.2L200 I227 I249 A251 A258 L259 L262 A275L200-V254 HydrophobicContact CD1-CB 3.63Å; L200-V254 HydrophobicContact CD1-CG2 4.04Å; I227-V254 HydrophobicContact CB-CG1 4.48Å; I227-V254 HydrophobicContact CB-CG2 4.35Å; I227-V254 HydrophobicContact CD1-CG2 4.47Å; I227-V254 WeakPolarHBondContact O-CA 3.24Å; I249-V254 HydrophobicContact CG2-CG2 3.89Å; A251-V254 HydrophobicContact CB-CG2 3.96Å; V254-A258 HydrophobicContact CG1-CB 4.22Å; V254-L259 HydrophobicContact CG1-CB 4.25Å; V254-L262 HydrophobicContact CG1-CD1 3.96Å; V254-A275 HydrophobicContact CB-CB 4.22Å; V254-A275 HydrophobicContact CG2-CB 3.98Å
255E95.7Very high96Very high74 Ų7432.5 Ų32.535%0.34619%0.187SC..  trans-136.8174.8-16867-177.1171.700112.9I227 S228 E257 A258 L259I227-E255 PolarHBondContact O-N 3.13Å; S228-E255 WeakPolarHBondContact CA-O 3.26Å; E255-E257 PolarHBondContact O-N 2.85Å; E255-A258 PolarHBondContact O-N 3.03Å; E255-L259 PolarHBondContact O-N 3.35Å
256G94.5Very high96Very high54 Ų5430.1 Ų30.156%0.55718%0.179SC*.Hα-helixtrans58.3-135.2173.500000114.2A258 L259 A260G256-A258 VanDerWaalsContact C-N 3.33Å; G256-A258 PolarHBondContact O-N 3.32Å; G256-L259 PolarHBondContact O-N 2.87Å; G256-A260 PolarHBondContact O-N 3.34Å
257E94.9Very high95.7Very high122 Ų12235.1 Ų35.157%0.5720%0.203SC*.Hα-helixtrans-62.2-39-177.3-175-176.4163.600112E255 A260 T261E255-E257 PolarHBondContact O-N 2.85Å; E257-A260 PolarHBondContact O-N 2.98Å; E257-T261 VanDerWaalsContact O-CB 3.28Å; E257-T261 WeakPolarHBondContact O-CB 3.32Å; E257-T261 PolarHBondContact O-N 2.88Å; E257-T261 PolarHBondContact O-OG1 3.42Å
258A95.8Very high95.3Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-58.4-52.4178.200000111.8I227 S228 V254 E255 G256 A260 T261 L262I227-A258 HydrophobicContact CG2-CB 4.15Å; S228-A258 WeakPolarHBondContact O-CB 3.44Å; S228-A258 PolarHBondContact O-N 3.29Å; S228-A258 VanDerWaalsContact O-N 3.09Å; V254-A258 HydrophobicContact CG1-CB 4.22Å; E255-A258 PolarHBondContact O-N 3.03Å; G256-A258 VanDerWaalsContact C-N 3.33Å; G256-A258 PolarHBondContact O-N 3.32Å; A258-A260 PolarHBondContact O-N 3.46Å; A258-T261 PolarHBondContact O-N 3.42Å; A258-L262 VanDerWaalsContact O-CG 3.28Å; A258-L262 WeakPolarHBondContact O-CG 3.43Å; A258-L262 PolarHBondContact O-N 3.21Å
259L96Very high94.8Very high37 Ų3746.7 Ų46.719%0.19427%0.265CS..Hα-helixtrans-61.6-47.6179.5-177.563.8000111.8L200 F204 V254 E255 G256 T261 L262 V263L200-L259 HydrophobicContact CB-CD1 4.12Å; F204-L259 HydrophobicContact CE2-CD1 3.91Å; F204-L259 HydrophobicContact CZ-CD1 3.9Å; V254-L259 HydrophobicContact CG1-CB 4.25Å; E255-L259 PolarHBondContact O-N 3.35Å; G256-L259 PolarHBondContact O-N 2.87Å; L259-T261 VanDerWaalsContact C-N 3.26Å; L259-T261 PolarHBondContact O-N 3.18Å; L259-L262 PolarHBondContact O-N 3.49Å; L259-V263 HydrophobicContact CD1-CG2 4.26Å; L259-V263 HydrophobicContact CG-CG2 4.44Å; L259-V263 WeakPolarHBondContact O-CB 3.27Å; L259-V263 VanDerWaalsContact O-CG2 3.29Å; L259-V263 WeakPolarHBondContact O-CG2 3.5Å; L259-V263 PolarHBondContact O-N 3.49Å
260A95.8Very high94.2Very high56 Ų5651.5 Ų51.546%0.46329%0.29SS..Hα-helixtrans-58.7-40.7179.800000111.8G256 E257 A258 V264G256-A260 PolarHBondContact O-N 3.34Å; E257-A260 PolarHBondContact O-N 2.98Å; A258-A260 PolarHBondContact O-N 3.46Å; A260-V264 VanDerWaalsContact O-CG2 3.32Å; A260-V264 WeakPolarHBondContact O-CG2 3.33Å; A260-V264 PolarHBondContact O-N 2.73Å
261T95Very high93.8Very high40 Ų4052.7 Ų52.725%0.24530%0.297CS..Hα-helixtrans-71-42.7-179.2-55.30000111.6I230 E257 A258 L259 V263 V264 N265I230-T261 HydrophobicContact CD1-CG2 4.3Å; I230-T261 HydrophobicContact CG1-CG2 3.86Å; E257-T261 VanDerWaalsContact O-CB 3.28Å; E257-T261 WeakPolarHBondContact O-CB 3.32Å; E257-T261 PolarHBondContact O-N 2.88Å; E257-T261 PolarHBondContact O-OG1 3.42Å; A258-T261 PolarHBondContact O-N 3.42Å; L259-T261 VanDerWaalsContact C-N 3.26Å; L259-T261 PolarHBondContact O-N 3.18Å; T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 3.34Å; T261-V264 PolarHBondContact O-N 3.25Å; T261-N265 VanDerWaalsContact CG2-ND2 3.32Å; T261-N265 WeakPolarHBondContact CG2-ND2 3.26Å; T261-N265 WeakPolarHBondContact O-CB 3.34Å; T261-N265 PolarHBondContact O-N 2.62Å; T261-N265 PolarHBondContact O-ND2 2.87Å
262L96.1Very high93.6Very high3 Ų359.7 Ų59.72%0.01633%0.327CS..Hα-helixtrans-60.8-44.2174.8-71.5172.8000111.6F204 I230 L237 I249 V254 A258 L259 T266 V273F204-L262 HydrophobicContact CE1-CB 4.27Å; F204-L262 HydrophobicContact CZ-CB 4.23Å; I230-L262 HydrophobicContact CD1-CD2 4.11Å; I230-L262 HydrophobicContact CD1-CG 4.07Å; L237-L262 HydrophobicContact CD1-CD2 4Å; L237-L262 HydrophobicContact CD2-CD2 3.94Å; I249-L262 HydrophobicContact CD1-CD1 3.65Å; I249-L262 HydrophobicContact CD1-CD2 4.35Å; V254-L262 HydrophobicContact CG1-CD1 3.96Å; A258-L262 VanDerWaalsContact O-CG 3.28Å; A258-L262 WeakPolarHBondContact O-CG 3.43Å; A258-L262 PolarHBondContact O-N 3.21Å; L259-L262 PolarHBondContact O-N 3.49Å; L262-T266 VanDerWaalsContact O-CB 3.3Å; L262-T266 WeakPolarHBondContact O-CB 3.2Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 3.3Å; L262-V273 HydrophobicContact CD2-CB 4.44Å; L262-V273 HydrophobicContact CD2-CG1 4.07Å; L262-V273 HydrophobicContact CD2-CG2 4.42Å
263V94.4Very high93.6Very high15 Ų1557 Ų579%0.09132%0.315CS..Hα-helixtrans-60.4-52.2177.2166.20000111Y203 F204 L259 T261 N265 T266 M267Y203-V263 VanDerWaalsContact CB-CG1 3.49Å; Y203-V263 HydrophobicContact CD2-CG1 4.13Å; Y203-V263 HydrophobicContact CG-CG1 3.99Å; F204-V263 HydrophobicContact CD1-CG2 4.47Å; F204-V263 HydrophobicContact CE1-CG2 3.79Å; F204-V263 HydrophobicContact CE2-CG2 4.25Å; F204-V263 HydrophobicContact CZ-CG2 3.67Å; L259-V263 HydrophobicContact CD1-CG2 4.26Å; L259-V263 HydrophobicContact CG-CG2 4.44Å; L259-V263 WeakPolarHBondContact O-CB 3.27Å; L259-V263 VanDerWaalsContact O-CG2 3.29Å; L259-V263 WeakPolarHBondContact O-CG2 3.5Å; L259-V263 PolarHBondContact O-N 3.49Å; T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 3.34Å; V263-N265 VanDerWaalsContact C-N 3.35Å; V263-N265 PolarHBondContact O-N 2.93Å; V263-T266 PolarHBondContact O-N 3.47Å; V263-M267 HydrophobicContact CG1-CG 4.41Å; V263-M267 HydrophobicContact CG1-SD 4.01Å; V263-M267 WeakPolarHBondContact O-CG 3.47Å; V263-M267 PolarHBondContact O-N 3Å
264V95.4Very high93.6Very high59 Ų5955.9 Ų55.936%0.35831%0.309SS..Hα-helixtrans-62.4-41.5-178170.90000111.8A260 T261 R268A260-V264 VanDerWaalsContact O-CG2 3.32Å; A260-V264 WeakPolarHBondContact O-CG2 3.33Å; A260-V264 PolarHBondContact O-N 2.73Å; T261-V264 PolarHBondContact O-N 3.25Å; V264-R268 WeakPolarHBondContact O-CB 3.35Å; V264-R268 VanDerWaalsContact O-CG 3.27Å; V264-R268 WeakPolarHBondContact O-CG 3.26Å; V264-R268 PolarHBondContact O-N 2.78Å; V264-R268 VanDerWaalsContact O-N 3.07Å
265N93.7Very high93.7Very high45 Ų4555.8 Ų55.824%0.24131%0.309CS..Hα-helixtrans-71.1-32.2178.7-73.7-67.1000112.5T261 V263 R268 G269 I270 V271T261-N265 VanDerWaalsContact CG2-ND2 3.32Å; T261-N265 WeakPolarHBondContact CG2-ND2 3.26Å; T261-N265 WeakPolarHBondContact O-CB 3.34Å; T261-N265 PolarHBondContact O-N 2.62Å; T261-N265 PolarHBondContact O-ND2 2.87Å; V263-N265 VanDerWaalsContact C-N 3.35Å; V263-N265 PolarHBondContact O-N 2.93Å; N265-R268 PolarHBondContact O-N 2.86Å; N265-G269 PolarHBondContact O-N 3.36Å; N265-I270 HydrophobicContact CB-CB 4.26Å; N265-I270 PolarHBondContact O-N 2.92Å; N265-I270 WeakPolarHBondContact OD1-CD1 3.44Å; N265-V271 HydrophobicContact CB-CG2 3.74Å
266T93.2Very high93.8Very high26 Ų2652.3 Ų52.316%0.1629%0.292CS..Hα-helixtrans-67.8-46.3173.6-55.60000111.3F204 L262 V263 R268 G269 V271 V273F204-T266 HydrophobicContact CD1-CG2 4.17Å; L262-T266 VanDerWaalsContact O-CB 3.3Å; L262-T266 WeakPolarHBondContact O-CB 3.2Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 3.3Å; V263-T266 PolarHBondContact O-N 3.47Å; T266-R268 PolarHBondContact O-N 2.92Å; T266-G269 PolarHBondContact O-N 3.18Å; T266-V271 VanDerWaalsContact CA-O 3.31Å; T266-V271 WeakPolarHBondContact CA-O 3.07Å; T266-V273 PolarHBondContact OG1-O 3.43Å
267M90.3Very high93.9Very high120 Ų12053.2 Ų53.259%0.59128%0.281SS*.Hα-helixtrans-60.6-32.3175.8-71.1-178.173.100113Y203 V263 G269Y203-M267 HydrophobicContact CD1-CE 3.89Å; Y203-M267 HydrophobicContact CD1-SD 3.65Å; Y203-M267 HydrophobicContact CE1-CE 4.25Å; Y203-M267 HydrophobicContact CE1-SD 4.35Å; Y203-M267 HydrophobicContact CG-SD 4.01Å; V263-M267 HydrophobicContact CG1-CG 4.41Å; V263-M267 HydrophobicContact CG1-SD 4.01Å; V263-M267 WeakPolarHBondContact O-CG 3.47Å; V263-M267 PolarHBondContact O-N 3Å; M267-G269 VanDerWaalsContact C-N 3.27Å
268R90.7Very high94Very high183 Ų18347.5 Ų47.569%0.69126%0.255SS*.THydrogen-bonded Turntrans-81.4-3175.9-70.7175.6180-178.71.3113.5V264 N265 T266 I270V264-R268 WeakPolarHBondContact O-CB 3.35Å; V264-R268 VanDerWaalsContact O-CG 3.27Å; V264-R268 WeakPolarHBondContact O-CG 3.26Å; V264-R268 PolarHBondContact O-N 2.78Å; V264-R268 VanDerWaalsContact O-N 3.07Å; N265-R268 PolarHBondContact O-N 2.86Å; T266-R268 PolarHBondContact O-N 2.92Å; R268-I270 HydrophobicContact CB-CD1 3.79Å; R268-I270 HydrophobicContact CB-CG1 3.88Å; R268-I270 PolarHBondContact O-N 3.23Å
269G86.3Confident94Very high61 Ų6147.8 Ų47.863%0.62926%0.256SS*.THydrogen-bonded Turntrans68.817.2-177.400000114.4N265 T266 M267N265-G269 PolarHBondContact O-N 3.36Å; T266-G269 PolarHBondContact O-N 3.18Å; M267-G269 VanDerWaalsContact C-N 3.27Å
270I86.6Confident93.7Very high102 Ų10247 Ų4752%0.52326%0.258SS..SBendtrans-76-41.4-178.5-62.9169.5000110.1N265 R268N265-I270 HydrophobicContact CB-CB 4.26Å; N265-I270 PolarHBondContact O-N 2.92Å; N265-I270 WeakPolarHBondContact OD1-CD1 3.44Å; R268-I270 HydrophobicContact CB-CD1 3.79Å; R268-I270 HydrophobicContact CB-CG1 3.88Å; R268-I270 PolarHBondContact O-N 3.23Å
271V89.9Confident93.5Very high25 Ų2550.9 Ų50.915%0.15226%0.264CS..  trans-133.5147.1173.9-64.50000108.9A241 N265 T266 V273A241-V271 HydrophobicContact CB-CG1 4.47Å; N265-V271 HydrophobicContact CB-CG2 3.74Å; T266-V271 VanDerWaalsContact CA-O 3.31Å; T266-V271 WeakPolarHBondContact CA-O 3.07Å; V271-V273 HydrophobicContact CB-CG2 3.78Å; V271-V273 HydrophobicContact CG2-CB 4.45Å; V271-V273 HydrophobicContact CG2-CG2 3.56Å
272K92.7Very high93.3Very high146 Ų14650.8 Ų50.864%0.63527%0.271SS*.  trans-100.791.1174-65.5-179.2-177.7178.90108.1P246 L247P246-K272 CarbonylContact C-O 3.57Å; P246-K272 WeakPolarHBondContact CA-O 3.48Å; P246-K272 HydrophobicContact CB-CB 3.94Å; P246-K272 WeakPolarHBondContact CB-O 3.44Å; P246-K272 HydrophobicContact CG-CB 4.38Å; P246-K272 HydrophobicContact CG-CD 4.5Å; L247-K272 PolarHBondContact N-O 3.05Å
273V95.7Very high93.1Very high4 Ų456.8 Ų56.82%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-126.1144.1-174.5-173.80000110.7F204 L237 L247 I249 L262 T266 V271F204-V273 WeakPolarHBondContact CD1-O 3.38Å; L237-V273 HydrophobicContact CD2-CG2 3.99Å; L247-V273 HydrophobicContact CB-CG1 4.33Å; L247-V273 HydrophobicContact CB-CG2 4.13Å; L247-V273 CarbonylContact O-C 3.56Å; L247-V273 VanDerWaalsContact O-CA 3.27Å; L247-V273 WeakPolarHBondContact O-CA 3.41Å; I249-V273 HydrophobicContact CD1-CG1 3.62Å; I249-V273 HydrophobicContact CG1-CG1 4.08Å; L262-V273 HydrophobicContact CD2-CB 4.44Å; L262-V273 HydrophobicContact CD2-CG1 4.07Å; L262-V273 HydrophobicContact CD2-CG2 4.42Å; T266-V273 PolarHBondContact OG1-O 3.43Å; V271-V273 HydrophobicContact CB-CG2 3.78Å; V271-V273 HydrophobicContact CG2-CB 4.45Å; V271-V273 HydrophobicContact CG2-CG2 3.56Å
274A97.1Very high92.9Very high0 Ų058.9 Ų58.90%031%0.309CS..EExtended strand (participates in β ladder)trans-132.9149.4161.800000110.3F204 V213 L215 L247 L248 I249 I325F204-A274 HydrophobicContact CB-CB 4.18Å; F204-A274 HydrophobicContact CG-CB 4.29Å; V213-A274 HydrophobicContact CG1-CB 3.84Å; L215-A274 HydrophobicContact CD1-CB 4.24Å; L247-A274 PolarHBondContact O-N 3.15Å; L248-A274 CarbonylContact C-O 3.49Å; L248-A274 WeakPolarHBondContact CA-O 3.47Å; I249-A274 PolarHBondContact N-O 2.89Å; A274-I325 HydrophobicContact CB-CD1 3.79Å
275A97.8Very high92.8Very high0 Ų057.7 Ų57.70%030%0.299CS..EExtended strand (participates in β ladder)trans-126.7136.7179.700000110.3L200 F204 I249 V254L200-A275 WeakPolarHBondContact CB-O 3.33Å; L200-A275 HydrophobicContact CD1-CB 3.89Å; L200-A275 WeakPolarHBondContact CG-O 3.49Å; L200-A275 PolarHBondContact N-O 2.75Å; F204-A275 HydrophobicContact CE2-CB 4.05Å; F204-A275 HydrophobicContact CZ-CB 4.3Å; I249-A275 HydrophobicContact CB-CB 4.12Å; I249-A275 WeakPolarHBondContact O-CA 3.48Å; V254-A275 HydrophobicContact CB-CB 4.22Å; V254-A275 HydrophobicContact CG2-CB 3.98Å
276V98Very high92.9Very high0 Ų058.1 Ų58.10%030%0.298CS..EExtended strand (participates in β ladder)trans-133.2152.6178-55.50000108.9F195 G198 L248 I249 I250 A251 I325 T330F195-V276 HydrophobicContact CE2-CG2 4.2Å; F195-V276 HydrophobicContact CZ-CG2 4.21Å; G198-V276 WeakPolarHBondContact O-CG1 3.45Å; L248-V276 HydrophobicContact CD1-CG1 4.23Å; L248-V276 HydrophobicContact CD1-CG2 4.13Å; I249-V276 PolarHBondContact O-N 3.22Å; I250-V276 HydrophobicContact CB-CG2 4.27Å; I250-V276 HydrophobicContact CD1-CG2 4.49Å; I250-V276 HydrophobicContact CG1-CG2 3.77Å; I250-V276 HydrophobicContact CG2-CG2 4.23Å; A251-V276 PolarHBondContact N-O 3.24Å; V276-I325 HydrophobicContact CG1-CD1 3.96Å; V276-I325 HydrophobicContact CG1-CG1 4.42Å; V276-I325 HydrophobicContact CG1-CG2 3.72Å; V276-T330 WeakPolarHBondContact CG1-OG1 3.34Å
277K97.6Very high92.9Very high73 Ų7358.1 Ų58.132%0.31730%0.301SS..EExtended strand (participates in β ladder)trans-72149.8170-54.7-167.5-178.1-152.80109.6R197 L200 A251 D253R197-K277 VanDerWaalsContact CB-O 3.29Å; R197-K277 WeakPolarHBondContact CB-O 3.38Å; R197-K277 HydrophobicContact CG-CB 4.46Å; R197-K277 VanDerWaalsContact CG-O 3.23Å; R197-K277 WeakPolarHBondContact CG-O 3.33Å; L200-K277 HydrophobicContact CD2-CD 4.18Å; L200-K277 VanDerWaalsContact CD2-CE 3.48Å; L200-K277 HydrophobicContact CD2-CG 3.54Å; L200-K277 HydrophobicContact CG-CG 4.4Å; A251-K277 CarbonylContact O-C 3.56Å; A251-K277 WeakPolarHBondContact O-CA 3.37Å; D253-K277 VanDerWaalsContact CG-CE 3.5Å; D253-K277 VanDerWaalsContact CG-NZ 3.26Å; D253-K277 WeakPolarHBondContact OD1-CE 3.35Å; D253-K277 IonicContact OD1-NZ 2.84Å; D253-K277 PolarHBondContact OD1-NZ 3.49Å; D253-K277 WeakPolarHBondContact OD2-CE 3.33Å; D253-K277 IonicContact OD2-NZ 3.87Å; D253-K277 PolarHBondContact OD2-NZ 3.13Å
278A96.6Very high93.2Very high3 Ų353 Ų533%0.02528%0.276CS..PPolyproline II helixtrans-62.8142.9167.600000110R197 I250 A251 R285 L289R197-A278 PolarHBondContact NE-O 3.17Å; I250-A278 HydrophobicContact CG2-CB 4.07Å; A251-A278 PolarHBondContact O-N 2.67Å; A278-R285 HydrophobicContact CB-CG 3.53Å; A278-L289 HydrophobicContact CB-CD1 4.12Å; A278-L289 HydrophobicContact CB-CD2 3.88Å; A278-L289 HydrophobicContact CB-CG 3.99Å
279P94.4Very high93.4Very high5 Ų544.3 Ų44.33%0.03224%0.243CC..SBendtrans-72.1149.8173.831.4-35.4000111F195 R197 R285 M288 I292F195-P279 HydrophobicContact CB-CB 3.96Å; F195-P279 HydrophobicContact CB-CG 4.06Å; F195-P279 HydrophobicContact CD2-CB 3.89Å; F195-P279 HydrophobicContact CD2-CG 3.82Å; F195-P279 HydrophobicContact CE2-CG 4.42Å; F195-P279 HydrophobicContact CG-CB 4.16Å; F195-P279 HydrophobicContact CG-CG 3.92Å; R197-P279 HydrophobicContact CG-CB 4.39Å; P279-R285 WeakPolarHBondContact O-CA 3.31Å; P279-R285 WeakPolarHBondContact O-CG 3.42Å; P279-M288 HydrophobicContact CB-CE 3.55Å; P279-M288 HydrophobicContact CB-SD 4.04Å; P279-M288 HydrophobicContact CG-CB 4Å; P279-M288 HydrophobicContact CG-CE 3.7Å; P279-M288 HydrophobicContact CG-SD 4.22Å; P279-I292 HydrophobicContact CG-CD1 4.11Å
280G91.3Very high93.9Very high21 Ų2145.2 Ų45.222%0.21623%0.231CC..SBendtrans77.2-170.8-178.400000114.9
281F91.1Very high94.3Very high138 Ų13840.5 Ų40.561%0.60521%0.207SC*.SBendtrans-145.9155.5179.759.3-90.9000110.5R284 R285F281-R284 WeakPolarHBondContact O-CB 3.47Å; F281-R284 PolarHBondContact O-N 3.21Å; F281-R285 PolarHBondContact O-N 2.95Å
282G91.5Very high94.6Very high38 Ų3839.3 Ų39.339%0.39220%0.199SC..Hα-helixtrans53.6-139.7179.200000113.2R284 R285 K286G282-R284 PolarHBondContact O-N 2.98Å; G282-R284 VanDerWaalsContact O-N 3.17Å; G282-R285 VanDerWaalsContact O-CB 3.26Å; G282-R285 WeakPolarHBondContact O-CB 3.35Å; G282-R285 PolarHBondContact O-N 3.45Å; G282-K286 PolarHBondContact O-N 2.88Å
283D90.3Very high94.8Very high129 Ų12932.4 Ų32.469%0.6917%0.17SC*.Hα-helixtrans-59.8-28.7-180-61.9-34.2000113.3R285 K286 A287D283-R285 VanDerWaalsContact C-N 3.34Å; D283-K286 WeakPolarHBondContact O-CB 3.47Å; D283-K286 PolarHBondContact O-N 3.1Å; D283-K286 IonicContact OD1-NZ 2.88Å; D283-A287 WeakPolarHBondContact O-CB 3.3Å; D283-A287 PolarHBondContact O-N 2.92Å
284R90.1Very high94.8Very high58 Ų5833.4 Ų33.422%0.21918%0.175CC..Hα-helixtrans-66.1-38.6175.1-174177.2179.8-172.61.4111.5F281 G282 K286 A287 M288 K364 E367F281-R284 WeakPolarHBondContact O-CB 3.47Å; F281-R284 PolarHBondContact O-N 3.21Å; G282-R284 PolarHBondContact O-N 2.98Å; G282-R284 VanDerWaalsContact O-N 3.17Å; R284-K286 VanDerWaalsContact C-N 3.34Å; R284-A287 PolarHBondContact O-N 3.04Å; R284-M288 HydrophobicContact CG-CG 4.42Å; R284-M288 HydrophobicContact CG-SD 4.17Å; R284-M288 VanDerWaalsContact O-CG 3.27Å; R284-M288 WeakPolarHBondContact O-CG 3.19Å; R284-M288 PolarHBondContact O-N 2.98Å; R284-K364 VanDerWaalsContact NH1-CD 3.33Å; R284-E367 IonicContact CZ-OE2 3.71Å; R284-E367 IonicContact NH2-OE2 3.95Å; R284-E367 PolarHBondContact NH2-OE2 3.4Å
285R94.5Very high94.7Very high35 Ų3533.4 Ų33.413%0.13218%0.176CC..Hα-helixtrans-61.1-46.2175-171.1-157.9-55.1154.6-6.5110.6D224 E252 A278 P279 F281 G282 D283 A287 M288 L289D224-R285 IonicContact OD1-NH1 2.75Å; E252-R285 VanDerWaalsContact CD-CZ 3.43Å; E252-R285 VanDerWaalsContact CG-CZ 3.45Å; E252-R285 VanDerWaalsContact CG-NH1 3.34Å; E252-R285 IonicContact OE1-CZ 3.93Å; E252-R285 IonicContact OE1-NH1 3.69Å; E252-R285 IonicContact OE1-NH2 2.59Å; E252-R285 PolarHBondContact OE1-NH2 3.45Å; E252-R285 IonicContact OE2-CZ 2.67Å; E252-R285 IonicContact OE2-NH1 2.85Å; E252-R285 PolarHBondContact OE2-NH1 3.42Å; E252-R285 IonicContact OE2-NH2 2.89Å; A278-R285 HydrophobicContact CB-CG 3.53Å; P279-R285 WeakPolarHBondContact O-CA 3.31Å; P279-R285 WeakPolarHBondContact O-CG 3.42Å; F281-R285 PolarHBondContact O-N 2.95Å; G282-R285 VanDerWaalsContact O-CB 3.26Å; G282-R285 WeakPolarHBondContact O-CB 3.35Å; G282-R285 PolarHBondContact O-N 3.45Å; D283-R285 VanDerWaalsContact C-N 3.34Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-A287 PolarHBondContact O-N 3.19Å; R285-M288 PolarHBondContact O-N 3.35Å; R285-L289 HydrophobicContact CG-CD1 4.29Å; R285-L289 WeakPolarHBondContact O-CB 3.4Å; R285-L289 WeakPolarHBondContact O-CG 3.43Å; R285-L289 PolarHBondContact O-N 3.37Å
286K95Very high94.6Very high54 Ų5433.5 Ų33.524%0.23518%0.176CC..Hα-helixtrans-57.9-46.5176.2-58.4-172.8-179.3168.30111.5D224 G282 D283 R284 M288 L289 Q290 E304D224-K286 WeakPolarHBondContact OD2-CD 3.36Å; D224-K286 WeakPolarHBondContact OD2-CE 3.29Å; D224-K286 VanDerWaalsContact OD2-CG 3.25Å; D224-K286 WeakPolarHBondContact OD2-CG 3.34Å; G282-K286 PolarHBondContact O-N 2.88Å; D283-K286 WeakPolarHBondContact O-CB 3.47Å; D283-K286 PolarHBondContact O-N 3.1Å; D283-K286 IonicContact OD1-NZ 2.88Å; R284-K286 VanDerWaalsContact C-N 3.34Å; K286-M288 PolarHBondContact O-N 3.26Å; K286-L289 PolarHBondContact O-N 3.43Å; K286-Q290 WeakPolarHBondContact O-CB 3.41Å; K286-Q290 PolarHBondContact O-N 2.95Å; K286-E304 IonicContact NZ-OE1 3.61Å; K286-E304 PolarHBondContact NZ-OE1 2.93Å; K286-E304 IonicContact NZ-OE2 3.91Å; K286-E304 PolarHBondContact NZ-OE2 2.99Å
287A94.4Very high94.5Very high25 Ų2535.9 Ų35.921%0.20720%0.2CC..Hα-helixtrans-62.6-41.3178.300000112.5D283 R284 R285 Q290 D291 R345D283-A287 WeakPolarHBondContact O-CB 3.3Å; D283-A287 PolarHBondContact O-N 2.92Å; R284-A287 PolarHBondContact O-N 3.04Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-A287 PolarHBondContact O-N 3.19Å; A287-Q290 WeakPolarHBondContact O-CB 3.12Å; A287-Q290 PolarHBondContact O-N 2.96Å; A287-D291 PolarHBondContact O-N 2.87Å; A287-R345 PolarHBondContact O-NH2 3.39Å
288M94.9Very high94.3Very high13 Ų1332.9 Ų32.96%0.06419%0.191CC..Hα-helixtrans-72.2-37177.3-67.2-179.279.200112.8P279 R284 R285 K286 Q290 D291 I292 R368P279-M288 HydrophobicContact CB-CE 3.55Å; P279-M288 HydrophobicContact CB-SD 4.04Å; P279-M288 HydrophobicContact CG-CB 4Å; P279-M288 HydrophobicContact CG-CE 3.7Å; P279-M288 HydrophobicContact CG-SD 4.22Å; R284-M288 HydrophobicContact CG-CG 4.42Å; R284-M288 HydrophobicContact CG-SD 4.17Å; R284-M288 VanDerWaalsContact O-CG 3.27Å; R284-M288 WeakPolarHBondContact O-CG 3.19Å; R284-M288 PolarHBondContact O-N 2.98Å; R285-M288 PolarHBondContact O-N 3.35Å; K286-M288 PolarHBondContact O-N 3.26Å; M288-Q290 VanDerWaalsContact C-N 3.26Å; M288-Q290 PolarHBondContact O-N 3Å; M288-D291 WeakPolarHBondContact O-CB 3.5Å; M288-D291 PolarHBondContact O-N 3.06Å; M288-D291 VanDerWaalsContact O-N 3.15Å; M288-I292 WeakPolarHBondContact O-CG1 3.41Å; M288-I292 PolarHBondContact O-N 3.36Å; M288-R368 HydrophobicContact CG-CG 4.29Å
289L96.5Very high94.3Very high0 Ų035.4 Ų35.40%021%0.206CC..Hα-helixtrans-60.2-40.7170.6-80.4172.8000110.8L222 D224 I250 A278 R285 K286 D291 I292 A293 V300L222-L289 HydrophobicContact CB-CD2 4.41Å; L222-L289 HydrophobicContact CD2-CD2 4.28Å; D224-L289 HydrophobicContact CB-CD1 4.02Å; I250-L289 HydrophobicContact CB-CD2 4.42Å; I250-L289 HydrophobicContact CG2-CD2 3.79Å; A278-L289 HydrophobicContact CB-CD1 4.12Å; A278-L289 HydrophobicContact CB-CD2 3.88Å; A278-L289 HydrophobicContact CB-CG 3.99Å; R285-L289 HydrophobicContact CG-CD1 4.29Å; R285-L289 WeakPolarHBondContact O-CB 3.4Å; R285-L289 WeakPolarHBondContact O-CG 3.43Å; R285-L289 PolarHBondContact O-N 3.37Å; K286-L289 PolarHBondContact O-N 3.43Å; L289-D291 VanDerWaalsContact C-N 3.32Å; L289-D291 PolarHBondContact O-N 3.22Å; L289-I292 PolarHBondContact O-N 2.96Å; L289-A293 WeakPolarHBondContact O-CB 3.41Å; L289-A293 PolarHBondContact O-N 3.06Å; L289-V300 HydrophobicContact CB-CG1 4.11Å; L289-V300 HydrophobicContact CB-CG2 3.95Å; L289-V300 HydrophobicContact CD1-CG1 4.19Å
290Q95.7Very high94.4Very high80 Ų8035.8 Ų35.837%0.37421%0.208SC..Hα-helixtrans-65.1-35.6174.7-171.460.852.800112.2K286 A287 M288 A293 T294K286-Q290 WeakPolarHBondContact O-CB 3.41Å; K286-Q290 PolarHBondContact O-N 2.95Å; A287-Q290 WeakPolarHBondContact O-CB 3.12Å; A287-Q290 PolarHBondContact O-N 2.96Å; M288-Q290 VanDerWaalsContact C-N 3.26Å; M288-Q290 PolarHBondContact O-N 3Å; Q290-A293 WeakPolarHBondContact O-CB 3.21Å; Q290-A293 PolarHBondContact O-N 2.88Å; Q290-T294 PolarHBondContact O-N 3.5Å; Q290-T294 PolarHBondContact O-OG1 2.92Å; Q290-T294 VanDerWaalsContact O-OG1 3.11Å
291D95.3Very high94.6Very high4 Ų435 Ų352%0.02120%0.199CC..Hα-helixtrans-65.4-42.6175.3-57.3-21.7000111M193 A287 M288 L289 A293 T294 L295 R345 R368 L372M193-D291 HydrophobicContact CE-CB 4.14Å; A287-D291 PolarHBondContact O-N 2.87Å; M288-D291 WeakPolarHBondContact O-CB 3.5Å; M288-D291 PolarHBondContact O-N 3.06Å; M288-D291 VanDerWaalsContact O-N 3.15Å; L289-D291 VanDerWaalsContact C-N 3.32Å; L289-D291 PolarHBondContact O-N 3.22Å; D291-A293 VanDerWaalsContact C-N 3.34Å; D291-T294 PolarHBondContact O-N 3.48Å; D291-L295 PolarHBondContact O-N 2.71Å; D291-R345 IonicContact OD1-CZ 2.64Å; D291-R345 VanDerWaalsContact OD1-CZ 3.23Å; D291-R345 IonicContact OD1-NE 2.62Å; D291-R345 PolarHBondContact OD1-NE 2.84Å; D291-R345 IonicContact OD1-NH2 2.75Å; D291-R345 PolarHBondContact OD1-NH2 3.37Å; D291-R368 VanDerWaalsContact CG-NH2 3.26Å; D291-R368 IonicContact OD1-CZ 2.67Å; D291-R368 IonicContact OD1-NH2 2.65Å; D291-R368 PolarHBondContact OD1-NH2 2.79Å; D291-R368 IonicContact OD2-CZ 3.39Å; D291-R368 VanDerWaalsContact OD2-CZ 3.25Å; D291-R368 IonicContact OD2-NE 3.68Å; D291-R368 PolarHBondContact OD2-NE 2.95Å; D291-R368 IonicContact OD2-NH2 3.41Å; D291-R368 PolarHBondContact OD2-NH2 3.23Å; D291-L372 HydrophobicContact CB-CD2 4.43Å
292I96.1Very high94.7Very high0 Ų029.1 Ų29.10%017%0.174CC..Hα-helixtrans-64-41173.9-62.8164.1000110.6M193 F195 L222 I250 P279 M288 L289 T294 L295 T296 I332M193-I292 HydrophobicContact SD-CG1 3.64Å; F195-I292 HydrophobicContact CD1-CD1 4.14Å; F195-I292 HydrophobicContact CE1-CD1 3.88Å; F195-I292 HydrophobicContact CZ-CD1 4.3Å; L222-I292 HydrophobicContact CD1-CB 4.48Å; L222-I292 HydrophobicContact CD1-CG2 4.17Å; L222-I292 HydrophobicContact CD2-CB 4.42Å; L222-I292 HydrophobicContact CD2-CG2 3.73Å; I250-I292 HydrophobicContact CD1-CD1 4.29Å; I250-I292 HydrophobicContact CD1-CG2 4.09Å; P279-I292 HydrophobicContact CG-CD1 4.11Å; M288-I292 WeakPolarHBondContact O-CG1 3.41Å; M288-I292 PolarHBondContact O-N 3.36Å; L289-I292 PolarHBondContact O-N 2.96Å; I292-T294 VanDerWaalsContact C-N 3.34Å; I292-T294 PolarHBondContact O-N 3.33Å; I292-L295 PolarHBondContact O-N 3.46Å; I292-T296 HydrophobicContact CG2-CG2 4.14Å; I292-T296 WeakPolarHBondContact O-CB 3.29Å; I292-T296 VanDerWaalsContact O-CG2 3.31Å; I292-T296 WeakPolarHBondContact O-CG2 3.32Å; I292-T296 PolarHBondContact O-N 3.32Å; I292-T296 PolarHBondContact O-OG1 2.92Å; I292-I332 HydrophobicContact CG2-CD1 3.65Å
293A96.6Very high94.6Very high1 Ų133.2 Ų33.21%0.00818%0.183CC..Hα-helixtrans-58.8-46.4176.200000111.1L222 L289 Q290 D291 L295 T296 G297 G298 V300L222-A293 HydrophobicContact CD1-CB 3.48Å; L222-A293 VanDerWaalsContact CD1-CB 3.48Å; L289-A293 WeakPolarHBondContact O-CB 3.41Å; L289-A293 PolarHBondContact O-N 3.06Å; Q290-A293 WeakPolarHBondContact O-CB 3.21Å; Q290-A293 PolarHBondContact O-N 2.88Å; D291-A293 VanDerWaalsContact C-N 3.34Å; A293-L295 PolarHBondContact O-N 2.91Å; A293-T296 PolarHBondContact O-N 3.33Å; A293-G297 WeakPolarHBondContact O-CA 3.49Å; A293-G297 PolarHBondContact O-N 3.01Å; A293-G298 WeakPolarHBondContact CB-O 3.5Å; A293-G298 PolarHBondContact O-N 3Å; A293-V300 HydrophobicContact CB-CG2 3.73Å
294T95.7Very high94.4Very high24 Ų2433.9 Ų33.915%0.14718%0.183CC..Hα-helixtrans-62-42.9175.6-61.10000112.5Q290 D291 I292 T296 G337 A341 I342 R345Q290-T294 PolarHBondContact O-N 3.5Å; Q290-T294 PolarHBondContact O-OG1 2.92Å; Q290-T294 VanDerWaalsContact O-OG1 3.11Å; D291-T294 PolarHBondContact O-N 3.48Å; I292-T294 VanDerWaalsContact C-N 3.34Å; I292-T294 PolarHBondContact O-N 3.33Å; T294-T296 VanDerWaalsContact C-N 3.31Å; T294-T296 PolarHBondContact O-N 3.48Å; T294-G337 WeakPolarHBondContact O-CA 3.46Å; T294-A341 HydrophobicContact CG2-CB 4.05Å; T294-A341 WeakPolarHBondContact CG2-O 3.44Å; T294-I342 HydrophobicContact CG2-CG1 4.13Å; T294-R345 HydrophobicContact CG2-CB 3.91Å; T294-R345 HydrophobicContact CG2-CG 4.37Å
295L94.7Very high94.3Very high1 Ų136.9 Ų36.91%0.00520%0.201CC..Hα-helixtrans-64.8-35.1177.8176.465.5000112.7E191 M193 D291 I292 A293 I332 G335 G337 I342 L372E191-L295 HydrophobicContact CB-CD1 4.28Å; M193-L295 HydrophobicContact CB-CD2 3.38Å; M193-L295 HydrophobicContact CE-CD2 4.33Å; D291-L295 PolarHBondContact O-N 2.71Å; I292-L295 PolarHBondContact O-N 3.46Å; A293-L295 PolarHBondContact O-N 2.91Å; L295-I332 HydrophobicContact CD2-CB 4.34Å; L295-I332 HydrophobicContact CD2-CG2 4.14Å; L295-G335 CarbonylContact O-C 3.45Å; L295-G335 VanDerWaalsContact O-C 3.29Å; L295-G335 WeakPolarHBondContact O-CA 3.26Å; L295-G337 VanDerWaalsContact O-CA 3.31Å; L295-G337 WeakPolarHBondContact O-CA 3.37Å; L295-G337 PolarHBondContact O-N 3.07Å; L295-I342 HydrophobicContact CD1-CD1 3.97Å; L295-L372 HydrophobicContact CB-CD1 4.13Å
296T96.1Very high93.9Very high2 Ų238.2 Ų38.21%0.01223%0.227CC..Hα-helixtrans-101.8-5.8-170.759.40000113.4I220 I292 A293 T294 G298 G318 Q319 I332I220-T296 HydrophobicContact CD1-CG2 3.64Å; I292-T296 HydrophobicContact CG2-CG2 4.14Å; I292-T296 WeakPolarHBondContact O-CB 3.29Å; I292-T296 VanDerWaalsContact O-CG2 3.31Å; I292-T296 WeakPolarHBondContact O-CG2 3.32Å; I292-T296 PolarHBondContact O-N 3.32Å; I292-T296 PolarHBondContact O-OG1 2.92Å; A293-T296 PolarHBondContact O-N 3.33Å; T294-T296 VanDerWaalsContact C-N 3.31Å; T294-T296 PolarHBondContact O-N 3.48Å; T296-G298 VanDerWaalsContact C-N 3.26Å; T296-G298 PolarHBondContact O-N 2.82Å; T296-G318 CarbonylContact O-C 3.59Å; T296-G318 WeakPolarHBondContact O-CA 3.21Å; T296-Q319 WeakPolarHBondContact CA-O 3.32Å; T296-Q319 PolarHBondContact O-N 3.43Å; T296-I332 HydrophobicContact CG2-CD1 4.13Å; T296-I332 HydrophobicContact CG2-CG2 3.98Å
297G95.3Very high93.7Very high49 Ų4937.8 Ų37.851%0.50523%0.226SC..THydrogen-bonded Turntrans69.321-174.500000114A293A293-G297 WeakPolarHBondContact O-CA 3.49Å; A293-G297 PolarHBondContact O-N 3.01Å
298G95.1Very high93.6Very high11 Ų1140.9 Ų40.911%0.11324%0.236CC..  trans-96.2177.7179.300000113.7A293 T296 G318A293-G298 WeakPolarHBondContact CB-O 3.5Å; A293-G298 PolarHBondContact O-N 3Å; T296-G298 VanDerWaalsContact C-N 3.26Å; T296-G298 PolarHBondContact O-N 2.82Å; G298-G318 VanDerWaalsContact CA-CA 3.47Å
299T96.1Very high93.4Very high56 Ų5640.4 Ų40.434%0.34423%0.234SC..  trans-116.8134.8173.9-59.40000110I301 M307 D316T299-I301 PolarHBondContact O-N 3.13Å; T299-M307 HydrophobicContact CG2-CE 3.81Å; T299-M307 HydrophobicContact CG2-SD 3.74Å; T299-D316 PolarHBondContact N-O 2.89Å
300V96.5Very high93.3Very high13 Ų1345.3 Ų45.38%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-75.9113.7173.2-1740000109L222 D224 L289 A293 S302L222-V300 HydrophobicContact CB-CG2 4.33Å; L222-V300 HydrophobicContact CD1-CG2 4.39Å; D224-V300 HydrophobicContact CB-CG1 4.12Å; L289-V300 HydrophobicContact CB-CG1 4.11Å; L289-V300 HydrophobicContact CB-CG2 3.95Å; L289-V300 HydrophobicContact CD1-CG1 4.19Å; A293-V300 HydrophobicContact CB-CG2 3.73Å; V300-S302 PolarHBondContact O-N 3.25Å; V300-S302 VanDerWaalsContact O-N 3.11Å
301I95.6Very high93.1Very high5 Ų548.2 Ų48.23%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-71105.6173.5-50.3-56000108.5L221 L222 D224 T299 M307 L309 A312 D316L221-I301 HydrophobicContact CD1-CG1 3.97Å; L222-I301 PolarHBondContact O-N 3Å; D224-I301 PolarHBondContact N-O 2.96Å; T299-I301 PolarHBondContact O-N 3.13Å; I301-M307 HydrophobicContact CD1-CE 3.5Å; I301-M307 HydrophobicContact CD1-SD 4.24Å; I301-M307 HydrophobicContact CG2-CB 4.14Å; I301-L309 HydrophobicContact CG2-CB 4.45Å; I301-L309 HydrophobicContact CG2-CD1 4.35Å; I301-A312 HydrophobicContact CD1-CB 3.93Å; I301-A312 HydrophobicContact CG1-CB 4.29Å; I301-D316 HydrophobicContact CD1-CB 4Å
302S93.1Very high93Very high13 Ų1348.4 Ų48.49%0.09127%0.27CS..  trans-128.1131.2178.9175.50000111.2V300 E304 I305 M307V300-S302 PolarHBondContact O-N 3.25Å; V300-S302 VanDerWaalsContact O-N 3.11Å; S302-E304 PolarHBondContact O-N 2.84Å; S302-E304 PolarHBondContact OG-N 3.17Å; S302-I305 WeakPolarHBondContact O-CG1 3.26Å; S302-I305 PolarHBondContact O-N 3.22Å; S302-M307 PolarHBondContact O-N 2.81Å; S302-M307 VanDerWaalsContact O-N 3.16Å
303E88.3Confident92.8Very high124 Ų12451.7 Ų51.758%0.57929%0.29SS*.G310 helixtrans-67.9-23.2177.1-66.5-178.1175.200111.6K225 I305 G306K225-E303 HydrophobicContact CD-CG 4.2Å; K225-E303 WeakPolarHBondContact CD-OE1 3.33Å; K225-E303 IonicContact NZ-OE1 3.88Å; K225-E303 PolarHBondContact NZ-OE1 2.71Å; E303-I305 VanDerWaalsContact C-N 3.27Å; E303-I305 PolarHBondContact O-N 2.88Å; E303-G306 PolarHBondContact O-N 3.3Å; E303-G306 VanDerWaalsContact O-N 3.09Å
304E86.6Confident92.6Very high144 Ų14454.5 Ų54.567%0.67331%0.305SS*.G310 helixtrans-66.4-28.9178.6-64.7-174.3169.500112.9K286 S302K286-E304 IonicContact NZ-OE1 3.61Å; K286-E304 PolarHBondContact NZ-OE1 2.93Å; K286-E304 IonicContact NZ-OE2 3.91Å; K286-E304 PolarHBondContact NZ-OE2 2.99Å; S302-E304 PolarHBondContact O-N 2.84Å; S302-E304 PolarHBondContact OG-N 3.17Å
305I87.3Confident92.5Very high120 Ų12061.8 Ų61.862%0.61534%0.337SS*.G310 helixtrans-97.47.6175.660.8172.2000112.4S302 E303 M307S302-I305 WeakPolarHBondContact O-CG1 3.26Å; S302-I305 PolarHBondContact O-N 3.22Å; E303-I305 VanDerWaalsContact C-N 3.27Å; E303-I305 PolarHBondContact O-N 2.88Å; I305-M307 HydrophobicContact CD1-CG 4.04Å; I305-M307 HydrophobicContact CD1-SD 3.73Å; I305-M307 HydrophobicContact CG1-CG 4.03Å; I305-M307 HydrophobicContact CG1-SD 4.36Å
306G87.6Confident92.5Very high64 Ų6463.4 Ų63.466%0.6635%0.346SS*.THydrogen-bonded Turntrans80.417.8177.500000115.2E303E303-G306 PolarHBondContact O-N 3.3Å; E303-G306 VanDerWaalsContact O-N 3.09Å
307M91.3Very high92.5Very high45 Ų4563.5 Ų63.522%0.22235%0.346CS..  trans-85.1143.1172-64.9-175.486.200110.8T299 I301 S302 I305T299-M307 HydrophobicContact CG2-CE 3.81Å; T299-M307 HydrophobicContact CG2-SD 3.74Å; I301-M307 HydrophobicContact CD1-CE 3.5Å; I301-M307 HydrophobicContact CD1-SD 4.24Å; I301-M307 HydrophobicContact CG2-CB 4.14Å; S302-M307 PolarHBondContact O-N 2.81Å; S302-M307 VanDerWaalsContact O-N 3.16Å; I305-M307 HydrophobicContact CD1-CG 4.04Å; I305-M307 HydrophobicContact CD1-SD 3.73Å; I305-M307 HydrophobicContact CG1-CG 4.03Å; I305-M307 HydrophobicContact CG1-SD 4.36Å
308E91.3Very high92.6Very high90 Ų9061.2 Ų61.242%0.42132%0.322SS..  trans-116.8135.7175.2-70.3168.2-15000109.5E310 K311 A312E308-E310 PolarHBondContact O-N 3.46Å; E308-K311 HydrophobicContact CB-CB 4.41Å; E308-K311 HydrophobicContact CB-CD 4.2Å; E308-K311 HydrophobicContact CB-CG 4.29Å; E308-K311 PolarHBondContact O-N 3.04Å; E308-K311 IonicContact OE1-NZ 3.79Å; E308-K311 PolarHBondContact OE1-NZ 3.09Å; E308-K311 WeakPolarHBondContact OE2-CD 3.26Å; E308-K311 WeakPolarHBondContact OE2-CE 3.27Å; E308-K311 IonicContact OE2-NZ 2.84Å; E308-K311 PolarHBondContact OE2-NZ 3.42Å; E308-A312 PolarHBondContact O-N 3.34Å
309L91.8Very high92.7Very high2 Ų263.5 Ų63.51%0.0133%0.33CS..G310 helixtrans-60.3-35.1-179.4-17255.9000112.8L221 I227 E232 M233 I301 K311 A312L221-L309 HydrophobicContact CD1-CD1 3.96Å; L221-L309 HydrophobicContact CD2-CD1 4.02Å; I227-L309 HydrophobicContact CD1-CD2 3.92Å; I227-L309 HydrophobicContact CG1-CD2 3.97Å; I227-L309 HydrophobicContact CG2-CD2 4.47Å; E232-L309 HydrophobicContact CB-CB 4.47Å; E232-L309 HydrophobicContact CB-CD2 4.04Å; E232-L309 HydrophobicContact CB-CG 4.38Å; M233-L309 HydrophobicContact CG-CD2 4.38Å; M233-L309 HydrophobicContact SD-CD1 4.06Å; M233-L309 HydrophobicContact SD-CD2 3.69Å; M233-L309 HydrophobicContact SD-CG 4.03Å; I301-L309 HydrophobicContact CG2-CB 4.45Å; I301-L309 HydrophobicContact CG2-CD1 4.35Å; L309-K311 PolarHBondContact O-N 3.17Å; L309-A312 WeakPolarHBondContact O-CB 3.38Å; L309-A312 PolarHBondContact O-N 3.45Å
310E92.3Very high92.7Very high104 Ų10461 Ų6149%0.48632%0.315SS..G310 helixtrans-64.7-20.7176-71.2178.4179.800113.7E232 P235 E308E232-E310 HydrophobicContact CB-CG 4.17Å; E232-E310 HydrophobicContact CG-CG 4.27Å; P235-E310 WeakPolarHBondContact CG-O 3.4Å; E308-E310 PolarHBondContact O-N 3.46Å
311K92.5Very high92.7Very high140 Ų14064.9 Ų64.961%0.60933%0.331SS*.G310 helixtrans-101.2-3.6-179.6-66.9176.5-180149.50112.8E308 L309 T313E308-K311 HydrophobicContact CB-CB 4.41Å; E308-K311 HydrophobicContact CB-CD 4.2Å; E308-K311 HydrophobicContact CB-CG 4.29Å; E308-K311 PolarHBondContact O-N 3.04Å; E308-K311 IonicContact OE1-NZ 3.79Å; E308-K311 PolarHBondContact OE1-NZ 3.09Å; E308-K311 WeakPolarHBondContact OE2-CD 3.26Å; E308-K311 WeakPolarHBondContact OE2-CE 3.27Å; E308-K311 IonicContact OE2-NZ 2.84Å; E308-K311 PolarHBondContact OE2-NZ 3.42Å; L309-K311 PolarHBondContact O-N 3.17Å; K311-T313 PolarHBondContact O-N 2.94Å
312A92.6Very high92.6Very high8 Ų865 Ų657%0.06633%0.331CS..  trans-63.3135.3178.800000110.6V236 I301 E308 L309V236-A312 HydrophobicContact CG2-CB 3.83Å; I301-A312 HydrophobicContact CD1-CB 3.93Å; I301-A312 HydrophobicContact CG1-CB 4.29Å; E308-A312 PolarHBondContact O-N 3.34Å; L309-A312 WeakPolarHBondContact O-CB 3.38Å; L309-A312 PolarHBondContact O-N 3.45Å
313T92.9Very high92.8Very high69 Ų6964.4 Ų64.442%0.42333%0.327SS..  trans-111.7174.2-178.868.50000110.6K311 E315 D316K311-T313 PolarHBondContact O-N 2.94Å; T313-E315 PolarHBondContact O-N 3.24Å; T313-E315 PolarHBondContact OG1-N 3.36Å; T313-D316 PolarHBondContact N-OD2 2.92Å; T313-D316 PolarHBondContact O-N 3.23Å; T313-D316 PolarHBondContact OG1-OD2 3.48Å
314L92.4Very high93.2Very high60 Ų6059.9 Ų59.931%0.31431%0.308SS..THydrogen-bonded Turntrans-62.4-23.9174.3-68.7176.9000113.1F219 A239 V240 D316 L317F219-L314 HydrophobicContact CD2-CD2 4.27Å; F219-L314 HydrophobicContact CE1-CD2 4.36Å; F219-L314 HydrophobicContact CE2-CD2 4.01Å; F219-L314 HydrophobicContact CZ-CD2 4.06Å; A239-L314 HydrophobicContact CB-CD1 4.25Å; A239-L314 HydrophobicContact CB-CD2 3.86Å; A239-L314 HydrophobicContact CB-CG 3.86Å; V240-L314 HydrophobicContact CG2-CD2 3.83Å; L314-D316 VanDerWaalsContact C-N 3.31Å; L314-L317 HydrophobicContact CD2-CD1 3.85Å; L314-L317 PolarHBondContact O-N 3.4Å
315E92.9Very high93.7Very high178 Ų17853 Ų5383%0.83228%0.276SS*.THydrogen-bonded Turntrans-74.5-23.8178.5-63.6178.6-177.900112.1T313 L317T313-E315 PolarHBondContact O-N 3.24Å; T313-E315 PolarHBondContact OG1-N 3.36Å; E315-L317 VanDerWaalsContact C-N 3.31Å
316D95Very high93.9Very high34 Ų3450.3 Ų50.318%0.18226%0.262CS..THydrogen-bonded Turntrans-80-15.7175.7-57.1-68.3000112.4T299 I301 T313 L314T299-D316 PolarHBondContact N-O 2.89Å; I301-D316 HydrophobicContact CD1-CB 4Å; T313-D316 PolarHBondContact N-OD2 2.92Å; T313-D316 PolarHBondContact O-N 3.23Å; T313-D316 PolarHBondContact OG1-OD2 3.48Å; L314-D316 VanDerWaalsContact C-N 3.31Å
317L96.8Very high94.2Very high5 Ų553.7 Ų53.73%0.02626%0.259CS..SBendtrans-84.4133.7-177-54-178000110.9F219 I220 L221 V236 V240 L247 L314 E315F219-L317 HydrophobicContact CB-CB 4.17Å; F219-L317 HydrophobicContact CB-CD1 3.76Å; F219-L317 HydrophobicContact CD1-CB 3.96Å; F219-L317 HydrophobicContact CD1-CD1 4.18Å; F219-L317 HydrophobicContact CG-CB 4.44Å; F219-L317 HydrophobicContact CG-CD1 4.01Å; I220-L317 WeakPolarHBondContact O-CA 3.46Å; L221-L317 HydrophobicContact CB-CD2 3.83Å; L221-L317 HydrophobicContact CD1-CD2 3.66Å; L221-L317 HydrophobicContact CG-CD2 4.35Å; V236-L317 HydrophobicContact CG1-CD1 4.04Å; V236-L317 HydrophobicContact CG1-CD2 4.23Å; V240-L317 HydrophobicContact CG2-CD1 3.75Å; L247-L317 HydrophobicContact CD1-CD1 4.39Å; L314-L317 HydrophobicContact CD2-CD1 3.85Å; L314-L317 PolarHBondContact O-N 3.4Å; E315-L317 VanDerWaalsContact C-N 3.31Å
318G97Very high94.1Very high0 Ų056.7 Ų56.70%028%0.276CS..EExtended strand (participates in β ladder)trans-68.3163.9168.800000111.7F219 I220 T296 G298F219-G318 CarbonylContact C-O 3.55Å; F219-G318 WeakPolarHBondContact CA-O 3.38Å; I220-G318 PolarHBondContact N-O 3.2Å; I220-G318 PolarHBondContact O-N 3.09Å; T296-G318 CarbonylContact O-C 3.59Å; T296-G318 WeakPolarHBondContact O-CA 3.21Å; G298-G318 VanDerWaalsContact CA-CA 3.47Å
319Q97.2Very high94.3Very high59 Ų5953.4 Ų53.428%0.27626%0.262SS..EExtended strand (participates in β ladder)trans-136.8152.2173.7-73.4178.885.800110.6F219 T296 V336F219-Q319 HydrophobicContact CD1-CG 3.62Å; F219-Q319 HydrophobicContact CE1-CG 3.84Å; T296-Q319 WeakPolarHBondContact CA-O 3.32Å; T296-Q319 PolarHBondContact O-N 3.43Å; Q319-V336 HydrophobicContact CB-CB 4.13Å; Q319-V336 HydrophobicContact CB-CG2 3.72Å; Q319-V336 PolarHBondContact O-N 3.35Å
320A96.3Very high94.5Very high4 Ų453.3 Ų53.33%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-143.5162.1170.100000108.8S217 P218 I220 V323 I332 D334S217-A320 WeakPolarHBondContact CA-O 3.15Å; P218-A320 WeakPolarHBondContact CD-O 3.29Å; I220-A320 HydrophobicContact CD1-CB 4.01Å; A320-V323 HydrophobicContact CB-CG2 4.31Å; A320-I332 HydrophobicContact CB-CG2 3.63Å; A320-D334 CarbonylContact C-O 3.49Å; A320-D334 WeakPolarHBondContact CA-O 3.34Å
321K95.1Very high94.6Very high94 Ų9448.6 Ų48.641%0.40924%0.24SC..EExtended strand (participates in β ladder)trans-66.9-42173-174.4174.9173.1-176.70111.3S217 I333 D334S217-K321 WeakPolarHBondContact CA-O 3.12Å; S217-K321 PolarHBondContact N-O 3.48Å; K321-I333 PolarHBondContact N-O 2.92Å; K321-D334 HydrophobicContact CB-CB 3.72Å; K321-D334 HydrophobicContact CD-CB 4.04Å; K321-D334 WeakPolarHBondContact CD-OD2 3.45Å; K321-D334 PolarHBondContact N-O 3.08Å; K321-D334 IonicContact NZ-OD2 3.54Å
322R94.8Very high94.8Very high9 Ų942 Ų423%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-151.6147179.7-174.91751711555.1111.7E178 E214 L215 E216 V324 I333E178-R322 VanDerWaalsContact CD-CD 3.48Å; E178-R322 WeakPolarHBondContact OE1-CD 3.22Å; E178-R322 IonicContact OE1-NE 2.7Å; E178-R322 IonicContact OE1-NH1 3.32Å; E178-R322 WeakPolarHBondContact OE2-CD 3.26Å; E178-R322 IonicContact OE2-CZ 2.74Å; E178-R322 IonicContact OE2-NE 2.63Å; E178-R322 IonicContact OE2-NH1 3.25Å; E178-R322 PolarHBondContact OE2-NH1 3.46Å; E214-R322 IonicContact OE1-NH2 2.61Å; E214-R322 PolarHBondContact OE1-NH2 3.39Å; E214-R322 IonicContact OE2-CZ 3.82Å; E214-R322 IonicContact OE2-NH2 3.58Å; E214-R322 PolarHBondContact OE2-NH2 3.17Å; L215-R322 CarbonylContact O-C 3.29Å; L215-R322 VanDerWaalsContact O-CA 3.32Å; L215-R322 WeakPolarHBondContact O-CA 3.48Å; E216-R322 WeakPolarHBondContact OE1-CD 3.37Å; E216-R322 IonicContact OE1-CZ 2.75Å; E216-R322 IonicContact OE1-NE 3.52Å; E216-R322 IonicContact OE1-NH1 3.53Å; R322-V324 HydrophobicContact CG-CG2 4.26Å; R322-I333 HydrophobicContact CB-CB 4.3Å; R322-I333 HydrophobicContact CB-CD1 4.47Å; R322-I333 HydrophobicContact CG-CD1 4.38Å; R322-I333 PolarHBondContact N-O 3.01Å; R322-I333 PolarHBondContact O-N 2.89Å
323V97.1Very high94.8Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-127.4129.3169178.60000108.9E214 L215 P218 I220 L248 A320 I325 T330 T331 I332E214-V323 WeakPolarHBondContact CA-O 3.06Å; L215-V323 HydrophobicContact CB-CB 4.43Å; L215-V323 PolarHBondContact N-O 3.33Å; L215-V323 PolarHBondContact O-N 2.96Å; P218-V323 HydrophobicContact CG-CB 4.21Å; P218-V323 HydrophobicContact CG-CG2 3.61Å; I220-V323 HydrophobicContact CD1-CG2 4.09Å; L248-V323 HydrophobicContact CD2-CB 4.41Å; L248-V323 HydrophobicContact CD2-CG1 3.65Å; L248-V323 HydrophobicContact CD2-CG2 4.14Å; A320-V323 HydrophobicContact CB-CG2 4.31Å; V323-I325 HydrophobicContact CG1-CD1 4.21Å; V323-I325 HydrophobicContact CG1-CG1 3.81Å; V323-T330 HydrophobicContact CG1-CG2 3.86Å; V323-T331 CarbonylContact C-O 3.57Å; V323-T331 VanDerWaalsContact CA-O 3.3Å; V323-T331 WeakPolarHBondContact CA-O 3.31Å; V323-I332 HydrophobicContact CG2-CG1 4.27Å
324V95.8Very high94.8Very high28 Ų2840.7 Ų40.717%0.1720%0.201CC..EExtended strand (participates in β ladder)trans-114.3125.6174.2-176.70000109.4V213 E214 R322 T331 I333V213-V324 CarbonylContact O-C 3.43Å; V213-V324 WeakPolarHBondContact O-CA 3.36Å; E214-V324 HydrophobicContact CG-CG1 4.48Å; E214-V324 HydrophobicContact CG-CG2 4.37Å; R322-V324 HydrophobicContact CG-CG2 4.26Å; V324-T331 PolarHBondContact N-O 3.42Å; V324-T331 PolarHBondContact O-N 3.44Å; V324-I333 HydrophobicContact CG2-CD1 3.99Å
325I97.4Very high94.9Very high0 Ų038.2 Ų38.20%019%0.189CC..EExtended strand (participates in β ladder)trans-124.9120.7-178-47.9164.1000108.2Y199 A212 V213 L248 A274 V276 V323 T330Y199-I325 HydrophobicContact CD1-CG2 4.3Å; A212-I325 CarbonylContact C-O 3.59Å; A212-I325 WeakPolarHBondContact CA-O 3.21Å; V213-I325 HydrophobicContact CB-CB 4.07Å; V213-I325 HydrophobicContact CB-CD1 4.28Å; V213-I325 HydrophobicContact CG2-CB 4.39Å; V213-I325 PolarHBondContact N-O 3.03Å; V213-I325 PolarHBondContact O-N 3.48Å; L248-I325 HydrophobicContact CD1-CD1 3.55Å; A274-I325 HydrophobicContact CB-CD1 3.79Å; V276-I325 HydrophobicContact CG1-CD1 3.96Å; V276-I325 HydrophobicContact CG1-CG1 4.42Å; V276-I325 HydrophobicContact CG1-CG2 3.72Å; V323-I325 HydrophobicContact CG1-CD1 4.21Å; V323-I325 HydrophobicContact CG1-CG1 3.81Å; I325-T330 HydrophobicContact CG1-CG2 4.02Å
326N92.9Very high94.9Very high63 Ų6334.2 Ų34.234%0.33718%0.177SC..  trans-106.4-166.9169.865.929.5000109.9G198 Y199 D328 T329G198-N326 CarbonylContact C-O 3.49Å; G198-N326 WeakPolarHBondContact CA-O 3.42Å; Y199-N326 VanDerWaalsContact CD1-C 3.48Å; Y199-N326 WeakPolarHBondContact CD1-O 3.49Å; Y199-N326 PolarHBondContact N-O 3.35Å; Y199-N326 VanDerWaalsContact N-O 3.13Å; N326-D328 PolarHBondContact O-N 3.26Å; N326-D328 PolarHBondContact OD1-N 2.91Å; N326-T329 PolarHBondContact N-O 3.38Å; N326-T329 PolarHBondContact ND2-OG1 3.29Å; N326-T329 WeakPolarHBondContact OD1-CA 3.14Å; N326-T329 PolarHBondContact OD1-N 2.91Å; N326-T329 PolarHBondContact OD1-O 2.95Å; N326-T329 PolarHBondContact OD1-OG1 3.23Å
327K92Very high94.7Very high135 Ų13533.2 Ų33.259%0.58718%0.175SC*.SBendtrans-62.3-30.2-178.4-175.3-177.3172.2-169.60113.4G198 Y199G198-K327 WeakPolarHBondContact CA-O 3.37Å; Y199-K327 HydrophobicContact CE1-CB 4.35Å
328D90.7Very high94.5Very high108 Ų10840 Ų4058%0.57821%0.206SC*.SBendtrans-119.1-21.5-166.4-58.8-60.2000113.2D196 R197 G198 N326D196-D328 CarbonylContact C-O 3.52Å; D196-D328 WeakPolarHBondContact CA-O 3.39Å; R197-D328 CarbonylContact C-O 3.48Å; R197-D328 WeakPolarHBondContact CA-O 3.38Å; R197-D328 PolarHBondContact N-O 3.46Å; G198-D328 PolarHBondContact N-O 3.09Å; N326-D328 PolarHBondContact O-N 3.26Å; N326-D328 PolarHBondContact OD1-N 2.91Å
329T94.1Very high94Very high21 Ų2145.7 Ų45.713%0.12923%0.233CC..  trans-141.4154.7-170.663.40000112.8Q194 F195 R197 N326Q194-T329 HydrophobicContact CG-CG2 4.5Å; F195-T329 VanDerWaalsContact O-CA 3.28Å; F195-T329 WeakPolarHBondContact O-CA 3.37Å; R197-T329 CarbonylContact O-C 3.47Å; N326-T329 PolarHBondContact N-O 3.38Å; N326-T329 PolarHBondContact ND2-OG1 3.29Å; N326-T329 WeakPolarHBondContact OD1-CA 3.14Å; N326-T329 PolarHBondContact OD1-N 2.91Å; N326-T329 PolarHBondContact OD1-O 2.95Å; N326-T329 PolarHBondContact OD1-OG1 3.23Å
330T96.7Very high93.8Very high0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-122.5130.4169.7-65.50000108.2Q194 F195 R197 L248 V276 V323 I325Q194-T330 CarbonylContact C-O 3.58Å; Q194-T330 VanDerWaalsContact CA-O 3.27Å; Q194-T330 WeakPolarHBondContact CA-O 3.5Å; F195-T330 HydrophobicContact CE1-CG2 3.7Å; F195-T330 HydrophobicContact CE2-CG2 4.21Å; F195-T330 VanDerWaalsContact CZ-CB 3.41Å; F195-T330 HydrophobicContact CZ-CG2 3.46Å; F195-T330 VanDerWaalsContact CZ-CG2 3.46Å; F195-T330 PolarHBondContact N-O 3.48Å; F195-T330 PolarHBondContact O-N 2.95Å; R197-T330 WeakPolarHBondContact O-CB 3.47Å; R197-T330 PolarHBondContact O-N 3.04Å; R197-T330 PolarHBondContact O-OG1 3.03Å; L248-T330 HydrophobicContact CD2-CG2 4.42Å; V276-T330 WeakPolarHBondContact CG1-OG1 3.34Å; V323-T330 HydrophobicContact CG1-CG2 3.86Å; I325-T330 HydrophobicContact CG1-CG2 4.02Å
331T95.3Very high93.6Very high6 Ų648.2 Ų48.24%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-117.7120.1177.2-48.70000109.4V174 T176 M193 Q194 V323 V324 I333 V376V174-T331 HydrophobicContact CG1-CG2 3.76Å; T176-T331 HydrophobicContact CG2-CG2 3.9Å; M193-T331 CarbonylContact O-C 3.59Å; M193-T331 WeakPolarHBondContact O-CA 3.49Å; Q194-T331 HydrophobicContact CB-CG2 4.36Å; Q194-T331 PolarHBondContact NE2-OG1 3.24Å; V323-T331 CarbonylContact C-O 3.57Å; V323-T331 VanDerWaalsContact CA-O 3.3Å; V323-T331 WeakPolarHBondContact CA-O 3.31Å; V324-T331 PolarHBondContact N-O 3.42Å; V324-T331 PolarHBondContact O-N 3.44Å; T331-I333 HydrophobicContact CG2-CG1 3.94Å; T331-V376 HydrophobicContact CG2-CG2 4.41Å
332I95.8Very high93.4Very high0 Ų044.3 Ų44.30%025%0.247CC..EExtended strand (participates in β ladder)trans-96.8123.3172.1-59.8173.7000106.8G192 M193 F195 I220 I292 L295 T296 A320 V323G192-I332 CarbonylContact C-O 3.56Å; G192-I332 WeakPolarHBondContact CA-O 3.42Å; M193-I332 PolarHBondContact N-O 2.9Å; M193-I332 PolarHBondContact O-N 2.6Å; F195-I332 HydrophobicContact CE1-CD1 4.12Å; F195-I332 HydrophobicContact CE1-CG1 4.49Å; I220-I332 HydrophobicContact CD1-CD1 4.46Å; I220-I332 HydrophobicContact CD1-CG2 4.46Å; I292-I332 HydrophobicContact CG2-CD1 3.65Å; L295-I332 HydrophobicContact CD2-CB 4.34Å; L295-I332 HydrophobicContact CD2-CG2 4.14Å; T296-I332 HydrophobicContact CG2-CD1 4.13Å; T296-I332 HydrophobicContact CG2-CG2 3.98Å; A320-I332 HydrophobicContact CB-CG2 3.63Å; V323-I332 HydrophobicContact CG2-CG1 4.27Å
333I93.5Very high93.3Very high3 Ų349.3 Ų49.32%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-117122.7-174.1-51.2174.6000107.8T176 E178 V190 K321 R322 V324 T331 V376 V378T176-I333 HydrophobicContact CG2-CD1 3.86Å; T176-I333 HydrophobicContact CG2-CG1 4.45Å; E178-I333 WeakPolarHBondContact OE1-CD1 3.44Å; V190-I333 HydrophobicContact CG2-CG2 3.71Å; K321-I333 PolarHBondContact N-O 2.92Å; R322-I333 HydrophobicContact CB-CB 4.3Å; R322-I333 HydrophobicContact CB-CD1 4.47Å; R322-I333 HydrophobicContact CG-CD1 4.38Å; R322-I333 PolarHBondContact N-O 3.01Å; R322-I333 PolarHBondContact O-N 2.89Å; V324-I333 HydrophobicContact CG2-CD1 3.99Å; T331-I333 HydrophobicContact CG2-CG1 3.94Å; I333-V376 HydrophobicContact CG1-CG1 4.33Å; I333-V376 HydrophobicContact CG2-CG1 4.48Å; I333-V378 HydrophobicContact CG2-CG2 3.62Å
334D92.7Very high93.1Very high48 Ų4851.4 Ų51.426%0.25729%0.292SS..EExtended strand (participates in β ladder)trans57.969.8176.5-169.53.4000110.8V190 E191 A320 K321V190-D334 HydrophobicContact CB-CB 3.96Å; V190-D334 HydrophobicContact CG1-CB 4.29Å; V190-D334 HydrophobicContact CG2-CB 3.99Å; E191-D334 WeakPolarHBondContact O-CA 3.05Å; E191-D334 PolarHBondContact O-N 3.36Å; A320-D334 CarbonylContact C-O 3.49Å; A320-D334 WeakPolarHBondContact CA-O 3.34Å; K321-D334 HydrophobicContact CB-CB 3.72Å; K321-D334 HydrophobicContact CD-CB 4.04Å; K321-D334 WeakPolarHBondContact CD-OD2 3.45Å; K321-D334 PolarHBondContact N-O 3.08Å; K321-D334 IonicContact NZ-OD2 3.54Å
335G92.9Very high93Very high7 Ų751.6 Ų51.67%0.07229%0.29CS..EExtended strand (participates in β ladder)trans-71.5144.1177.500000112.1E191 L295 G337E191-G335 PolarHBondContact O-N 3.44Å; L295-G335 CarbonylContact O-C 3.45Å; L295-G335 VanDerWaalsContact O-C 3.29Å; L295-G335 WeakPolarHBondContact O-CA 3.26Å; G335-G337 PolarHBondContact O-N 2.85Å
336V93.4Very high92.8Very high95 Ų9552.1 Ų52.158%0.57629%0.293SS*.  trans-80.36-175.6-174.90000112.8Q319Q319-V336 HydrophobicContact CB-CB 4.13Å; Q319-V336 HydrophobicContact CB-CG2 3.72Å; Q319-V336 PolarHBondContact O-N 3.35Å
337G91.5Very high92.8Very high13 Ų1351.8 Ų51.813%0.13430%0.299CS..SBendtrans-62.4147.5176.700000112.8T294 L295 G335 E339T294-G337 WeakPolarHBondContact O-CA 3.46Å; L295-G337 VanDerWaalsContact O-CA 3.31Å; L295-G337 WeakPolarHBondContact O-CA 3.37Å; L295-G337 PolarHBondContact O-N 3.07Å; G335-G337 PolarHBondContact O-N 2.85Å; G337-E339 PolarHBondContact O-N 2.88Å
338E91.6Very high92.9Very high148 Ų14849.8 Ų49.869%0.69229%0.292SS*.  trans-68.7130.9177.2-64.6-175.2170.200111.1A340 A341 I342E338-A340 PolarHBondContact O-N 3.24Å; E338-A340 VanDerWaalsContact O-N 3.16Å; E338-A341 HydrophobicContact CB-CB 4.15Å; E338-A341 WeakPolarHBondContact O-CA 3.41Å; E338-A341 WeakPolarHBondContact O-CB 3.28Å; E338-A341 PolarHBondContact O-N 3.07Å; E338-I342 PolarHBondContact O-N 3.46Å
339E88.2Confident93Very high118 Ų11844.6 Ų44.655%0.55126%0.264SS*.Hα-helixtrans-53.3-40.3179.4-166.3-169.6162.900111.9G337 A341 I342 Q343G337-E339 PolarHBondContact O-N 2.88Å; E339-A341 VanDerWaalsContact C-N 3.34Å; E339-A341 PolarHBondContact O-N 3.5Å; E339-I342 PolarHBondContact O-N 3.02Å; E339-Q343 WeakPolarHBondContact O-CB 3.36Å; E339-Q343 VanDerWaalsContact O-CG 3.3Å; E339-Q343 WeakPolarHBondContact O-CG 3.45Å; E339-Q343 PolarHBondContact O-N 2.79Å; E339-Q343 PolarHBondContact OE1-NE2 2.97Å
340A91.9Very high93Very high71 Ų7150.3 Ų50.359%0.58728%0.283SS*.Hα-helixtrans-63.6-37.5176.800000112.8E338 G344E338-A340 PolarHBondContact O-N 3.24Å; E338-A340 VanDerWaalsContact O-N 3.16Å; A340-G344 PolarHBondContact O-N 2.91Å
341A92.7Very high92.8Very high45 Ų4555.3 Ų55.337%0.37231%0.307SS..Hα-helixtrans-69.6-40.6176.500000111.1T294 E338 E339 G344 R345T294-A341 HydrophobicContact CG2-CB 4.05Å; T294-A341 WeakPolarHBondContact CG2-O 3.44Å; E338-A341 HydrophobicContact CB-CB 4.15Å; E338-A341 WeakPolarHBondContact O-CA 3.41Å; E338-A341 WeakPolarHBondContact O-CB 3.28Å; E338-A341 PolarHBondContact O-N 3.07Å; E339-A341 VanDerWaalsContact C-N 3.34Å; E339-A341 PolarHBondContact O-N 3.5Å; A341-G344 PolarHBondContact O-N 2.98Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.4Å; A341-R345 PolarHBondContact O-N 2.85Å
342I91.1Very high92.7Very high13 Ų1358.3 Ų58.37%0.06732%0.32CS..Hα-helixtrans-62.3-50.6175.1-63.7166.9000110.1T294 L295 E338 E339 G344 R345 V346 L372T294-I342 HydrophobicContact CG2-CG1 4.13Å; L295-I342 HydrophobicContact CD1-CD1 3.97Å; E338-I342 PolarHBondContact O-N 3.46Å; E339-I342 PolarHBondContact O-N 3.02Å; I342-G344 PolarHBondContact O-N 2.89Å; I342-R345 WeakPolarHBondContact O-CB 3.47Å; I342-R345 PolarHBondContact O-N 3.06Å; I342-V346 WeakPolarHBondContact O-CG2 3.44Å; I342-V346 PolarHBondContact O-N 2.94Å; I342-L372 HydrophobicContact CG2-CD1 4.14Å; I342-L372 HydrophobicContact CG2-CG 4.12Å
343Q91.3Very high92.5Very high114 Ų11459.4 Ų59.453%0.53333%0.326SS..Hα-helixtrans-61.2-42.9177.8-71.3179.15.900112.1E339 R345 V346 A347E339-Q343 WeakPolarHBondContact O-CB 3.36Å; E339-Q343 VanDerWaalsContact O-CG 3.3Å; E339-Q343 WeakPolarHBondContact O-CG 3.45Å; E339-Q343 PolarHBondContact O-N 2.79Å; E339-Q343 PolarHBondContact OE1-NE2 2.97Å; Q343-R345 VanDerWaalsContact C-N 3.31Å; Q343-R345 PolarHBondContact O-N 2.95Å; Q343-V346 PolarHBondContact O-N 3.47Å; Q343-A347 WeakPolarHBondContact O-CB 3.13Å; Q343-A347 PolarHBondContact O-N 3.3Å
344G94.1Very high92.4Very high43 Ų4367.1 Ų67.144%0.44336%0.362SS..Hα-helixtrans-60.7-41.117500000112.2A340 A341 I342 A347 Q348A340-G344 PolarHBondContact O-N 2.91Å; A341-G344 PolarHBondContact O-N 2.98Å; I342-G344 PolarHBondContact O-N 2.89Å; G344-A347 PolarHBondContact O-N 2.95Å; G344-Q348 PolarHBondContact O-N 3.02Å
345R94Very high92.4Very high33 Ų3371 Ų7113%0.12538%0.378CS..Hα-helixtrans-66.7-43.5175.7-176.559.1175.2-170.9-7.5112.2A287 D291 T294 A341 I342 Q343 A347 Q348 I349 R368 L372A287-R345 PolarHBondContact O-NH2 3.39Å; D291-R345 IonicContact OD1-CZ 2.64Å; D291-R345 VanDerWaalsContact OD1-CZ 3.23Å; D291-R345 IonicContact OD1-NE 2.62Å; D291-R345 PolarHBondContact OD1-NE 2.84Å; D291-R345 IonicContact OD1-NH2 2.75Å; D291-R345 PolarHBondContact OD1-NH2 3.37Å; T294-R345 HydrophobicContact CG2-CB 3.91Å; T294-R345 HydrophobicContact CG2-CG 4.37Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.4Å; A341-R345 PolarHBondContact O-N 2.85Å; I342-R345 WeakPolarHBondContact O-CB 3.47Å; I342-R345 PolarHBondContact O-N 3.06Å; Q343-R345 VanDerWaalsContact C-N 3.31Å; Q343-R345 PolarHBondContact O-N 2.95Å; R345-A347 VanDerWaalsContact C-N 3.32Å; R345-A347 PolarHBondContact O-N 3.02Å; R345-Q348 WeakPolarHBondContact O-CB 3.28Å; R345-Q348 PolarHBondContact O-N 3.22Å; R345-I349 HydrophobicContact CG-CD1 4.18Å; R345-I349 VanDerWaalsContact O-CG1 3.29Å; R345-I349 WeakPolarHBondContact O-CG1 3.36Å; R345-I349 PolarHBondContact O-N 2.93Å; R345-R368 VanDerWaalsContact NH2-NH2 3.14Å; R345-L372 HydrophobicContact CB-CD2 3.92Å; R345-L372 HydrophobicContact CG-CD2 3.48Å; R345-L372 VanDerWaalsContact CG-CD2 3.48Å
346V91.6Very high92.2Very high11 Ų1171.2 Ų71.27%0.06738%0.38CS..Hα-helixtrans-58.7-44.2173.7168.80000110.9I342 Q343 I349 R350 V369 L372 A373I342-V346 WeakPolarHBondContact O-CG2 3.44Å; I342-V346 PolarHBondContact O-N 2.94Å; Q343-V346 PolarHBondContact O-N 3.47Å; V346-I349 PolarHBondContact O-N 3.5Å; V346-R350 WeakPolarHBondContact O-CG 3.15Å; V346-R350 PolarHBondContact O-N 3.16Å; V346-V369 HydrophobicContact CG1-CG1 4.16Å; V346-L372 HydrophobicContact CG2-CB 4.23Å; V346-L372 HydrophobicContact CG2-CD2 3.81Å; V346-L372 HydrophobicContact CG2-CG 3.85Å; V346-A373 HydrophobicContact CG1-CB 4.19Å; V346-A373 HydrophobicContact CG2-CB 3.96Å
347A93.7Very high92Very high56 Ų5673.3 Ų73.346%0.46339%0.393SS..Hα-helixtrans-62.7-42.6177.500000112.2Q343 G344 R345 I349 R350 Q351Q343-A347 WeakPolarHBondContact O-CB 3.13Å; Q343-A347 PolarHBondContact O-N 3.3Å; G344-A347 PolarHBondContact O-N 2.95Å; R345-A347 VanDerWaalsContact C-N 3.32Å; R345-A347 PolarHBondContact O-N 3.02Å; A347-I349 VanDerWaalsContact C-N 3.34Å; A347-I349 PolarHBondContact O-N 2.85Å; A347-R350 PolarHBondContact O-N 3.02Å; A347-Q351 PolarHBondContact O-N 3.24Å
348Q93.9Very high92.1Very high92 Ų9274.5 Ų74.543%0.4340%0.399SS..Hα-helixtrans-58.9-44.9175-173.9-174.816.800111.7G344 R345 Q351 Q352G344-Q348 PolarHBondContact O-N 3.02Å; R345-Q348 WeakPolarHBondContact O-CB 3.28Å; R345-Q348 PolarHBondContact O-N 3.22Å; Q348-Q351 PolarHBondContact O-N 3.34Å; Q348-Q352 WeakPolarHBondContact O-CG 3.46Å; Q348-Q352 PolarHBondContact O-N 3.11Å; Q348-Q352 VanDerWaalsContact O-N 3.12Å
349I93.8Very high91.9Very high0 Ų072.6 Ų72.60%039%0.394CS..Hα-helixtrans-68.2-38179.1-58.3164.5000110.3R345 V346 A347 Q351 Q352 I353 L365 R368 V369 L372R345-I349 HydrophobicContact CG-CD1 4.18Å; R345-I349 VanDerWaalsContact O-CG1 3.29Å; R345-I349 WeakPolarHBondContact O-CG1 3.36Å; R345-I349 PolarHBondContact O-N 2.93Å; V346-I349 PolarHBondContact O-N 3.5Å; A347-I349 VanDerWaalsContact C-N 3.34Å; A347-I349 PolarHBondContact O-N 2.85Å; I349-Q351 VanDerWaalsContact C-N 3.33Å; I349-Q351 PolarHBondContact O-N 3.01Å; I349-Q352 WeakPolarHBondContact O-CB 3.15Å; I349-Q352 PolarHBondContact O-N 2.81Å; I349-Q352 VanDerWaalsContact O-N 3.15Å; I349-I353 WeakPolarHBondContact O-CG1 3.25Å; I349-I353 PolarHBondContact O-N 2.68Å; I349-L365 HydrophobicContact CG2-CB 4.11Å; I349-L365 HydrophobicContact CG2-CD2 3.85Å; I349-R368 HydrophobicContact CD1-CB 4.39Å; I349-R368 HydrophobicContact CG2-CB 4.35Å; I349-V369 HydrophobicContact CB-CG2 3.8Å; I349-V369 HydrophobicContact CG2-CG2 3.46Å; I349-V369 VanDerWaalsContact CG2-CG2 3.46Å; I349-L372 HydrophobicContact CD1-CD2 4.19Å
350R92.7Very high91.8Very high140 Ų14072.9 Ų72.953%0.52839%0.391SS..Hα-helixtrans-61.4-38.9174.1-75.2179.1178.4175.61.3113V346 A347 Q352 I353 E354 V369V346-R350 WeakPolarHBondContact O-CG 3.15Å; V346-R350 PolarHBondContact O-N 3.16Å; A347-R350 PolarHBondContact O-N 3.02Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-I353 WeakPolarHBondContact O-CB 3.48Å; R350-I353 PolarHBondContact O-N 2.61Å; R350-E354 PolarHBondContact O-N 2.7Å; R350-V369 HydrophobicContact CG-CG1 4.35Å; R350-V369 HydrophobicContact CG-CG2 4.04Å
351Q94.1Very high91.7Very high106 Ų10673.2 Ų73.250%0.49538%0.382SS..Hα-helixtrans-63.8-41.5173-173.1-178.9-8.400111.5A347 Q348 I349 I353 E354 E355A347-Q351 PolarHBondContact O-N 3.24Å; Q348-Q351 PolarHBondContact O-N 3.34Å; I349-Q351 VanDerWaalsContact C-N 3.33Å; I349-Q351 PolarHBondContact O-N 3.01Å; Q351-I353 PolarHBondContact O-N 3.29Å; Q351-E354 PolarHBondContact O-N 2.82Å; Q351-E354 VanDerWaalsContact O-N 3.13Å; Q351-E355 PolarHBondContact NE2-OE1 3.5Å; Q351-E355 PolarHBondContact O-N 3.1Å; Q351-E355 VanDerWaalsContact O-N 3.09Å
352Q92.4Very high91.5Very high68 Ų6874.8 Ų74.832%0.31838%0.379SS..Hα-helixtrans-60.6-33.1174.8-68174.6-12.700112.4Q348 I349 R350 E354 E355 A356 L365Q348-Q352 WeakPolarHBondContact O-CG 3.46Å; Q348-Q352 PolarHBondContact O-N 3.11Å; Q348-Q352 VanDerWaalsContact O-N 3.12Å; I349-Q352 WeakPolarHBondContact O-CB 3.15Å; I349-Q352 PolarHBondContact O-N 2.81Å; I349-Q352 VanDerWaalsContact O-N 3.15Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; Q352-E354 VanDerWaalsContact C-N 3.35Å; Q352-E355 PolarHBondContact O-N 3.2Å; Q352-A356 WeakPolarHBondContact O-CB 3.2Å; Q352-A356 PolarHBondContact O-N 2.94Å; Q352-L365 HydrophobicContact CB-CD1 3.79Å; Q352-L365 HydrophobicContact CB-CD2 4.12Å
353I90.6Very high91.3Very high24 Ų2479.3 Ų79.312%0.12340%0.4CS..Hα-helixtrans-63.1-41.2175.5-69.7170.3000111I349 R350 Q351 A356 R362 L365 Q366 V369I349-I353 WeakPolarHBondContact O-CG1 3.25Å; I349-I353 PolarHBondContact O-N 2.68Å; R350-I353 WeakPolarHBondContact O-CB 3.48Å; R350-I353 PolarHBondContact O-N 2.61Å; Q351-I353 PolarHBondContact O-N 3.29Å; I353-A356 WeakPolarHBondContact O-CB 3.23Å; I353-A356 PolarHBondContact O-N 3.13Å; I353-R362 HydrophobicContact CG2-CG 3.56Å; I353-L365 HydrophobicContact CD1-CB 4.06Å; I353-L365 HydrophobicContact CG1-CB 3.34Å; I353-L365 HydrophobicContact CG1-CD1 4.19Å; I353-L365 HydrophobicContact CG1-CG 4.39Å; I353-Q366 HydrophobicContact CD1-CG 3.82Å; I353-Q366 HydrophobicContact CG1-CG 4.48Å; I353-Q366 HydrophobicContact CG2-CG 4.44Å; I353-V369 HydrophobicContact CD1-CG2 3.78Å
354E92Very high91.2Very high164 Ų16476.1 Ų76.177%0.76638%0.384SS*.Hα-helixtrans-69.6-36.6178.9-66.5178.5-175.900111.9R350 Q351 Q352 A356R350-E354 PolarHBondContact O-N 2.7Å; Q351-E354 PolarHBondContact O-N 2.82Å; Q351-E354 VanDerWaalsContact O-N 3.13Å; Q352-E354 VanDerWaalsContact C-N 3.35Å; E354-A356 VanDerWaalsContact C-N 3.32Å
355E92.9Very high91.1Very high129 Ų12975.1 Ų75.160%0.60337%0.368SS*.Hα-helixtrans-80.7-11.6178.1-65.9174.1-171.600113Q351 Q352 T357Q351-E355 PolarHBondContact NE2-OE1 3.5Å; Q351-E355 PolarHBondContact O-N 3.1Å; Q351-E355 VanDerWaalsContact O-N 3.09Å; Q352-E355 PolarHBondContact O-N 3.2Å; E355-T357 PolarHBondContact O-N 2.65Å
356A89.6Confident90.7Very high13 Ų1378.3 Ų78.311%0.10739%0.385CS..  trans-67.4120.7-177.800000111.8Q352 I353 E354 D361 R362 L365Q352-A356 WeakPolarHBondContact O-CB 3.2Å; Q352-A356 PolarHBondContact O-N 2.94Å; I353-A356 WeakPolarHBondContact O-CB 3.23Å; I353-A356 PolarHBondContact O-N 3.13Å; E354-A356 VanDerWaalsContact C-N 3.32Å; A356-D361 HydrophobicContact CB-CB 4.17Å; A356-R362 HydrophobicContact CB-CB 4.31Å; A356-R362 PolarHBondContact O-NH2 3.3Å; A356-L365 HydrophobicContact CB-CD1 4.29Å
357T89.1Confident90.4Very high139 Ų13981 Ų8185%0.85340%0.397SS*.  trans-81.9-21.2179.254.30000113.6E355E355-T357 PolarHBondContact O-N 2.65Å
358S92.1Very high90.2Very high37 Ų3779.1 Ų79.126%0.25938%0.377SS..SBendtrans-109.3141.3-179.886.90000111Y360 D361 R362S358-Y360 PolarHBondContact O-N 2.93Å; S358-D361 PolarHBondContact O-N 3.31Å; S358-D361 WeakPolarHBondContact OG-CB 3.17Å; S358-D361 PolarHBondContact OG-N 2.89Å; S358-D361 PolarHBondContact OG-OD2 2.62Å; S358-R362 PolarHBondContact O-N 3.18Å; S358-R362 VanDerWaalsContact O-N 3.13Å
359D87.5Confident89.9Confident109 Ų10975.5 Ų75.558%0.58336%0.362SS*.Hα-helixtrans-62.4-34.5175.2-63-30.5000111.1R362 E363D359-R362 WeakPolarHBondContact O-CB 3.38Å; D359-R362 PolarHBondContact O-N 3.39Å; D359-R362 IonicContact OD1-CZ 3.64Å; D359-R362 IonicContact OD1-NH1 3.81Å; D359-R362 PolarHBondContact OD1-NH1 3.18Å; D359-R362 IonicContact OD1-NH2 3.17Å; D359-E363 WeakPolarHBondContact O-CG 3.31Å; D359-E363 PolarHBondContact O-N 3.04Å
360Y87.7Confident89.5Confident124 Ų12477.3 Ų77.349%0.48638%0.377SS..Hα-helixtrans-58.3-50.6174.6177.2-96.1000112.1S358 R362 E363 K364S358-Y360 PolarHBondContact O-N 2.93Å; Y360-R362 VanDerWaalsContact C-N 3.28Å; Y360-R362 PolarHBondContact O-N 3.4Å; Y360-E363 PolarHBondContact O-N 2.93Å; Y360-K364 HydrophobicContact CD1-CG 4.48Å; Y360-K364 HydrophobicContact CE1-CG 4.1Å; Y360-K364 HydrophobicContact CE2-CG 4.26Å; Y360-K364 WeakPolarHBondContact O-CG 3.36Å; Y360-K364 PolarHBondContact O-N 3.48Å
361D88.4Confident89.2Confident77 Ų7772.9 Ų72.941%0.41236%0.361SS..Hα-helixtrans-63.9-38.2178.8-64.5-39.2000111A356 S358 K364 L365A356-D361 HydrophobicContact CB-CB 4.17Å; S358-D361 PolarHBondContact O-N 3.31Å; S358-D361 WeakPolarHBondContact OG-CB 3.17Å; S358-D361 PolarHBondContact OG-N 2.89Å; S358-D361 PolarHBondContact OG-OD2 2.62Å; D361-K364 PolarHBondContact O-N 2.89Å; D361-L365 WeakPolarHBondContact O-CB 3.41Å; D361-L365 WeakPolarHBondContact O-CD1 3.43Å; D361-L365 VanDerWaalsContact O-CG 3.23Å; D361-L365 WeakPolarHBondContact O-CG 3.27Å; D361-L365 PolarHBondContact O-N 3.42Å
362R89.6Confident88.8Confident79 Ų7968.2 Ų68.230%0.29834%0.339SS..Hα-helixtrans-61.3-49.3177.7-160.2179.5-61111.610111.8I353 A356 S358 D359 Y360 K364 L365 Q366I353-R362 HydrophobicContact CG2-CG 3.56Å; A356-R362 HydrophobicContact CB-CB 4.31Å; A356-R362 PolarHBondContact O-NH2 3.3Å; S358-R362 PolarHBondContact O-N 3.18Å; S358-R362 VanDerWaalsContact O-N 3.13Å; D359-R362 WeakPolarHBondContact O-CB 3.38Å; D359-R362 PolarHBondContact O-N 3.39Å; D359-R362 IonicContact OD1-CZ 3.64Å; D359-R362 IonicContact OD1-NH1 3.81Å; D359-R362 PolarHBondContact OD1-NH1 3.18Å; D359-R362 IonicContact OD1-NH2 3.17Å; Y360-R362 VanDerWaalsContact C-N 3.28Å; Y360-R362 PolarHBondContact O-N 3.4Å; R362-K364 VanDerWaalsContact C-N 3.31Å; R362-K364 PolarHBondContact O-N 3.21Å; R362-L365 PolarHBondContact O-N 2.89Å; R362-Q366 WeakPolarHBondContact O-CB 3.22Å; R362-Q366 VanDerWaalsContact O-CG 3.26Å; R362-Q366 WeakPolarHBondContact O-CG 3.43Å; R362-Q366 PolarHBondContact O-N 2.86Å
363E86.9Confident88.1Confident107 Ų10767.6 Ų67.650%0.535%0.346SS..Hα-helixtrans-58.6-43.2175.3-74177.6-179.900111.2D359 Y360 L365 Q366 E367D359-E363 WeakPolarHBondContact O-CG 3.31Å; D359-E363 PolarHBondContact O-N 3.04Å; Y360-E363 PolarHBondContact O-N 2.93Å; E363-L365 PolarHBondContact O-N 3.06Å; E363-Q366 WeakPolarHBondContact O-CB 3.36Å; E363-Q366 PolarHBondContact O-N 3.44Å; E363-E367 WeakPolarHBondContact O-CG 3.45Å; E363-E367 PolarHBondContact O-N 3.33Å
364K87.8Confident87.4Confident47 Ų4767.6 Ų67.620%0.20435%0.352CS..Hα-helixtrans-70.1-32.5-178.6-65.4-32.4-177-1770113.6R284 Y360 D361 R362 E367 R368R284-K364 VanDerWaalsContact NH1-CD 3.33Å; Y360-K364 HydrophobicContact CD1-CG 4.48Å; Y360-K364 HydrophobicContact CE1-CG 4.1Å; Y360-K364 HydrophobicContact CE2-CG 4.26Å; Y360-K364 WeakPolarHBondContact O-CG 3.36Å; Y360-K364 PolarHBondContact O-N 3.48Å; D361-K364 PolarHBondContact O-N 2.89Å; R362-K364 VanDerWaalsContact C-N 3.31Å; R362-K364 PolarHBondContact O-N 3.21Å; K364-E367 WeakPolarHBondContact CD-OE2 3.47Å; K364-E367 IonicContact NZ-OE1 2.69Å; K364-E367 PolarHBondContact NZ-OE1 2.97Å; K364-E367 IonicContact NZ-OE2 2.72Å; K364-R368 WeakPolarHBondContact O-CG 3.05Å; K364-R368 PolarHBondContact O-N 3.01Å
365L91.7Very high86.9Confident22 Ų2260.7 Ų60.712%0.11533%0.325CS..Hα-helixtrans-73.8-36.7172.7-69.6166000111.1I349 Q352 I353 A356 D361 R362 E363 R368 V369I349-L365 HydrophobicContact CG2-CB 4.11Å; I349-L365 HydrophobicContact CG2-CD2 3.85Å; Q352-L365 HydrophobicContact CB-CD1 3.79Å; Q352-L365 HydrophobicContact CB-CD2 4.12Å; I353-L365 HydrophobicContact CD1-CB 4.06Å; I353-L365 HydrophobicContact CG1-CB 3.34Å; I353-L365 HydrophobicContact CG1-CD1 4.19Å; I353-L365 HydrophobicContact CG1-CG 4.39Å; A356-L365 HydrophobicContact CB-CD1 4.29Å; D361-L365 WeakPolarHBondContact O-CB 3.41Å; D361-L365 WeakPolarHBondContact O-CD1 3.43Å; D361-L365 VanDerWaalsContact O-CG 3.23Å; D361-L365 WeakPolarHBondContact O-CG 3.27Å; D361-L365 PolarHBondContact O-N 3.42Å; R362-L365 PolarHBondContact O-N 2.89Å; E363-L365 PolarHBondContact O-N 3.06Å; L365-R368 WeakPolarHBondContact O-CB 3.45Å; L365-R368 PolarHBondContact O-N 2.98Å; L365-R368 VanDerWaalsContact O-N 3.16Å; L365-V369 PolarHBondContact O-N 3.29Å
366Q86.2Confident86.6Confident100 Ų10054.6 Ų54.647%0.46730%0.296SS..Hα-helixtrans-60.6-43.8172.1-75.7172.7-10.900111.8I353 R362 E363 R368 V369 A370I353-Q366 HydrophobicContact CD1-CG 3.82Å; I353-Q366 HydrophobicContact CG1-CG 4.48Å; I353-Q366 HydrophobicContact CG2-CG 4.44Å; R362-Q366 WeakPolarHBondContact O-CB 3.22Å; R362-Q366 VanDerWaalsContact O-CG 3.26Å; R362-Q366 WeakPolarHBondContact O-CG 3.43Å; R362-Q366 PolarHBondContact O-N 2.86Å; E363-Q366 WeakPolarHBondContact O-CB 3.36Å; E363-Q366 PolarHBondContact O-N 3.44Å; Q366-R368 VanDerWaalsContact C-N 3.26Å; Q366-R368 PolarHBondContact O-N 3.22Å; Q366-V369 PolarHBondContact O-N 3.02Å; Q366-A370 WeakPolarHBondContact O-CB 3.04Å; Q366-A370 PolarHBondContact O-N 3.42Å
367E85.8Confident86.7Confident68 Ų6854 Ų5432%0.31829%0.291SS..Hα-helixtrans-55.9-40.2173.2-74.2172-167.500111.9R284 E363 K364 K371R284-E367 IonicContact CZ-OE2 3.71Å; R284-E367 IonicContact NH2-OE2 3.95Å; R284-E367 PolarHBondContact NH2-OE2 3.4Å; E363-E367 WeakPolarHBondContact O-CG 3.45Å; E363-E367 PolarHBondContact O-N 3.33Å; K364-E367 WeakPolarHBondContact CD-OE2 3.47Å; K364-E367 IonicContact NZ-OE1 2.69Å; K364-E367 PolarHBondContact NZ-OE1 2.97Å; K364-E367 IonicContact NZ-OE2 2.72Å; E367-K371 WeakPolarHBondContact O-CB 3.44Å; E367-K371 VanDerWaalsContact O-CG 3.3Å; E367-K371 WeakPolarHBondContact O-CG 3.36Å; E367-K371 PolarHBondContact O-N 2.85Å
368R90.2Very high86.8Confident16 Ų1647.6 Ų47.66%0.0625%0.252CS..Hα-helixtrans-69.5-43177.9-71.617362.3-146.6-6.4112M288 D291 R345 I349 K364 L365 Q366 A370 K371 L372M288-R368 HydrophobicContact CG-CG 4.29Å; D291-R368 VanDerWaalsContact CG-NH2 3.26Å; D291-R368 IonicContact OD1-CZ 2.67Å; D291-R368 IonicContact OD1-NH2 2.65Å; D291-R368 PolarHBondContact OD1-NH2 2.79Å; D291-R368 IonicContact OD2-CZ 3.39Å; D291-R368 VanDerWaalsContact OD2-CZ 3.25Å; D291-R368 IonicContact OD2-NE 3.68Å; D291-R368 PolarHBondContact OD2-NE 2.95Å; D291-R368 IonicContact OD2-NH2 3.41Å; D291-R368 PolarHBondContact OD2-NH2 3.23Å; R345-R368 VanDerWaalsContact NH2-NH2 3.14Å; I349-R368 HydrophobicContact CD1-CB 4.39Å; I349-R368 HydrophobicContact CG2-CB 4.35Å; K364-R368 WeakPolarHBondContact O-CG 3.05Å; K364-R368 PolarHBondContact O-N 3.01Å; L365-R368 WeakPolarHBondContact O-CB 3.45Å; L365-R368 PolarHBondContact O-N 2.98Å; L365-R368 VanDerWaalsContact O-N 3.16Å; Q366-R368 VanDerWaalsContact C-N 3.26Å; Q366-R368 PolarHBondContact O-N 3.22Å; R368-A370 VanDerWaalsContact C-N 3.34Å; R368-K371 PolarHBondContact O-N 3.39Å; R368-L372 WeakPolarHBondContact O-CB 3.11Å; R368-L372 PolarHBondContact O-N 3.01Å
369V87.7Confident86.9Confident16 Ų1645.9 Ų45.910%0.09724%0.24CC..Hα-helixtrans-60.2-46.5174.5170.80000110.3V346 I349 R350 I353 L365 Q366 K371 L372 A373V346-V369 HydrophobicContact CG1-CG1 4.16Å; I349-V369 HydrophobicContact CB-CG2 3.8Å; I349-V369 HydrophobicContact CG2-CG2 3.46Å; I349-V369 VanDerWaalsContact CG2-CG2 3.46Å; R350-V369 HydrophobicContact CG-CG1 4.35Å; R350-V369 HydrophobicContact CG-CG2 4.04Å; I353-V369 HydrophobicContact CD1-CG2 3.78Å; L365-V369 PolarHBondContact O-N 3.29Å; Q366-V369 PolarHBondContact O-N 3.02Å; V369-K371 VanDerWaalsContact C-N 3.32Å; V369-K371 PolarHBondContact O-N 2.85Å; V369-L372 PolarHBondContact O-N 2.85Å; V369-A373 HydrophobicContact CG1-CB 4.37Å; V369-A373 WeakPolarHBondContact O-CA 3.4Å; V369-A373 WeakPolarHBondContact O-CB 3.32Å; V369-A373 PolarHBondContact O-N 2.83Å
370A84Confident87.1Confident38 Ų3842.8 Ų42.831%0.31422%0.222SC..Hα-helixtrans-60.4-42.2178.700000111.6Q366 R368 G374Q366-A370 WeakPolarHBondContact O-CB 3.04Å; Q366-A370 PolarHBondContact O-N 3.42Å; R368-A370 VanDerWaalsContact C-N 3.34Å; A370-G374 WeakPolarHBondContact O-CA 3.4Å; A370-G374 PolarHBondContact O-N 3.32Å
371K86Confident87.3Confident48 Ų4836.9 Ų36.921%0.20920%0.198CC..Hα-helixtrans-70.6-29.5178.8-75.8179.1177-174.90114.6M193 Q194 D196 E367 R368 V369M193-K371 WeakPolarHBondContact CB-O 3.49Å; M193-K371 HydrophobicContact CG-CB 4.19Å; M193-K371 WeakPolarHBondContact CG-O 3.17Å; Q194-K371 WeakPolarHBondContact O-CD 2.98Å; Q194-K371 WeakPolarHBondContact O-CE 3.2Å; D196-K371 IonicContact OD2-NZ 2.68Å; D196-K371 PolarHBondContact OD2-NZ 3.37Å; E367-K371 WeakPolarHBondContact O-CB 3.44Å; E367-K371 VanDerWaalsContact O-CG 3.3Å; E367-K371 WeakPolarHBondContact O-CG 3.36Å; E367-K371 PolarHBondContact O-N 2.85Å; R368-K371 PolarHBondContact O-N 3.39Å; V369-K371 VanDerWaalsContact C-N 3.32Å; V369-K371 PolarHBondContact O-N 2.85Å
372L85.8Confident87.4Confident7 Ų733.3 Ų33.34%0.03718%0.179CC..Hα-helixtrans-94.3-33.4-178.5-175.563.9000112.8M193 D291 L295 I342 R345 V346 I349 R368 V369M193-L372 HydrophobicContact CE-CB 4.03Å; M193-L372 HydrophobicContact CE-CD1 3.7Å; M193-L372 HydrophobicContact CE-CG 4.47Å; D291-L372 HydrophobicContact CB-CD2 4.43Å; L295-L372 HydrophobicContact CB-CD1 4.13Å; I342-L372 HydrophobicContact CG2-CD1 4.14Å; I342-L372 HydrophobicContact CG2-CG 4.12Å; R345-L372 HydrophobicContact CB-CD2 3.92Å; R345-L372 HydrophobicContact CG-CD2 3.48Å; R345-L372 VanDerWaalsContact CG-CD2 3.48Å; V346-L372 HydrophobicContact CG2-CB 4.23Å; V346-L372 HydrophobicContact CG2-CD2 3.81Å; V346-L372 HydrophobicContact CG2-CG 3.85Å; I349-L372 HydrophobicContact CD1-CD2 4.19Å; R368-L372 WeakPolarHBondContact O-CB 3.11Å; R368-L372 PolarHBondContact O-N 3.01Å; V369-L372 PolarHBondContact O-N 2.85Å
373A79.6Confident87.3Confident55 Ų5530.1 Ų30.146%0.45517%0.17SC..Hα-helixtrans-91.6-20.6177.700000112.8V346 V369 G375V346-A373 HydrophobicContact CG1-CB 4.19Å; V346-A373 HydrophobicContact CG2-CB 3.96Å; V369-A373 HydrophobicContact CG1-CB 4.37Å; V369-A373 WeakPolarHBondContact O-CA 3.4Å; V369-A373 WeakPolarHBondContact O-CB 3.32Å; V369-A373 PolarHBondContact O-N 2.83Å; A373-G375 PolarHBondContact O-N 2.84Å
374G73.9Confident87.4Confident24 Ų2428.6 Ų28.625%0.24718%0.176CC..SBendtrans-69.6121.2175.400000109.8G192 A370G192-G374 VanDerWaalsContact O-O 3.1Å; A370-G374 WeakPolarHBondContact O-CA 3.4Å; A370-G374 PolarHBondContact O-N 3.32Å
375G81.4Confident87.3Confident19 Ų1930 Ų3020%0.19619%0.189CC..EExtended strand (participates in β ladder)trans-68.9160.7170.900000111.5V169 V190 A373V169-G375 WeakPolarHBondContact CG1-O 3.07Å; V190-G375 CarbonylContact O-C 3.53Å; V190-G375 WeakPolarHBondContact O-CA 3.46Å; A373-G375 PolarHBondContact O-N 2.84Å
376V87.1Confident86.9Confident1 Ų135.2 Ų35.21%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-100.6123.7166.5-178.40000107.8V174 T176 V189 V190 T331 I333 V378V174-V376 HydrophobicContact CB-CG1 4.42Å; V174-V376 HydrophobicContact CB-CG2 4.22Å; V174-V376 HydrophobicContact CG1-CG1 4.36Å; V174-V376 CarbonylContact O-C 3.57Å; V174-V376 WeakPolarHBondContact O-CA 3.14Å; T176-V376 HydrophobicContact CG2-CG1 3.96Å; V189-V376 WeakPolarHBondContact CA-O 3.32Å; V190-V376 HydrophobicContact CG2-CB 4.21Å; V190-V376 PolarHBondContact N-O 3.48Å; V190-V376 PolarHBondContact O-N 2.84Å; T331-V376 HydrophobicContact CG2-CG2 4.41Å; I333-V376 HydrophobicContact CG1-CG1 4.33Å; I333-V376 HydrophobicContact CG2-CG1 4.48Å; V376-V378 HydrophobicContact CG1-CG2 4.25Å
377A91.5Very high86.7Confident0 Ų033.8 Ų33.80%021%0.21CC..EExtended strand (participates in β ladder)trans-86123.4170.300000108.7A165 V169 V174 I175 T176 L187 D188 V189A165-A377 HydrophobicContact CB-CB 3.98Å; V169-A377 HydrophobicContact CG1-CB 3.52Å; V169-A377 HydrophobicContact CG2-CB 4.17Å; V174-A377 PolarHBondContact O-N 3.32Å; I175-A377 CarbonylContact C-O 3.09Å; I175-A377 VanDerWaalsContact CA-O 3.27Å; I175-A377 WeakPolarHBondContact CA-O 3.38Å; I175-A377 HydrophobicContact CG1-CB 4.02Å; I175-A377 HydrophobicContact CG2-CB 4.46Å; T176-A377 PolarHBondContact N-O 3.33Å; L187-A377 HydrophobicContact CD1-CB 3.9Å; D188-A377 CarbonylContact O-C 3.49Å; D188-A377 VanDerWaalsContact O-CA 3.31Å; D188-A377 WeakPolarHBondContact O-CA 3.38Å; V189-A377 HydrophobicContact CG2-CB 4.46Å
378V92.2Very high86.6Confident6 Ų635 Ų354%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-108.7111.4-179.5-173.90000108E178 D188 V190 I333 V376 K380E178-V378 HydrophobicContact CB-CG1 4.1Å; E178-V378 VanDerWaalsContact CD-CG1 3.45Å; E178-V378 HydrophobicContact CG-CG1 3.65Å; E178-V378 WeakPolarHBondContact OE1-CG1 3.44Å; D188-V378 PolarHBondContact N-O 3.35Å; D188-V378 PolarHBondContact O-N 3.12Å; V190-V378 HydrophobicContact CG2-CG2 3.87Å; I333-V378 HydrophobicContact CG2-CG2 3.62Å; V376-V378 HydrophobicContact CG1-CG2 4.25Å; V378-K380 HydrophobicContact CG1-CG 4.28Å
379I93.4Very high86.5Confident0 Ų035.6 Ų35.60%022%0.22CC..EExtended strand (participates in β ladder)trans-86.6107.9171.6-65.2173.2000107.9L161 I162 A165 I175 T176 V177 E178 L187 V381 V396L161-I379 HydrophobicContact CD2-CB 4.5Å; L161-I379 HydrophobicContact CD2-CG1 4.41Å; L161-I379 HydrophobicContact CD2-CG2 3.47Å; L161-I379 VanDerWaalsContact CD2-CG2 3.47Å; L161-I379 HydrophobicContact CG-CD1 4.5Å; L161-I379 HydrophobicContact CG-CG1 4.36Å; L161-I379 HydrophobicContact CG-CG2 4.31Å; I162-I379 HydrophobicContact CG1-CD1 4.12Å; A165-I379 HydrophobicContact CB-CD1 4.24Å; A165-I379 HydrophobicContact CB-CG1 4.44Å; I175-I379 HydrophobicContact CG2-CD1 3.75Å; I175-I379 HydrophobicContact CG2-CG1 4.13Å; T176-I379 PolarHBondContact O-N 3.4Å; V177-I379 CarbonylContact C-O 3.59Å; V177-I379 WeakPolarHBondContact CA-O 3.44Å; V177-I379 HydrophobicContact CG1-CG2 4.46Å; E178-I379 PolarHBondContact N-O 2.85Å; L187-I379 HydrophobicContact CD1-CG1 4.09Å; I379-V381 HydrophobicContact CG2-CG2 4.2Å; I379-V396 HydrophobicContact CD1-CG1 4.21Å; I379-V396 HydrophobicContact CG2-CG1 3.97Å
380K92.5Very high86.3Confident45 Ų4539.8 Ų39.820%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-89.9116.3174.5-64.8173.2176166.10109.2E178 D185 E186 D188 V378E178-K380 WeakPolarHBondContact O-CA 3.43Å; D185-K380 VanDerWaalsContact CA-O 3.26Å; D185-K380 WeakPolarHBondContact CA-O 3.47Å; E186-K380 HydrophobicContact CB-CB 4.22Å; E186-K380 HydrophobicContact CB-CD 4.29Å; E186-K380 PolarHBondContact N-O 2.95Å; E186-K380 PolarHBondContact O-N 2.88Å; E186-K380 IonicContact OE2-NZ 2.73Å; D188-K380 WeakPolarHBondContact OD2-CE 3.33Å; D188-K380 IonicContact OD2-NZ 3.82Å; D188-K380 PolarHBondContact OD2-NZ 2.84Å; V378-K380 HydrophobicContact CG1-CG 4.28Å
381V91.6Very high86.3Confident0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-89.2114.3-176.1179.50000110.2V177 E178 G180 D185 I379 K392 K393 V396V177-V381 HydrophobicContact CG1-CG2 3.49Å; V177-V381 VanDerWaalsContact CG1-CG2 3.49Å; E178-V381 PolarHBondContact O-N 3.46Å; G180-V381 VanDerWaalsContact CA-O 3.29Å; G180-V381 WeakPolarHBondContact CA-O 3.41Å; G180-V381 PolarHBondContact N-O 2.66Å; D185-V381 WeakPolarHBondContact OD1-CA 3.14Å; I379-V381 HydrophobicContact CG2-CG2 4.2Å; V381-K392 HydrophobicContact CG1-CB 3.74Å; V381-K392 HydrophobicContact CG1-CD 3.59Å; V381-K392 HydrophobicContact CG1-CG 3.54Å; V381-K393 HydrophobicContact CG2-CB 4.47Å; V381-V396 HydrophobicContact CG2-CB 4.38Å; V381-V396 HydrophobicContact CG2-CG2 3.98Å
382G90.1Very high86.4Confident1 Ų139.3 Ų39.31%0.0123%0.228CC..  trans-93.3139177.700000112.2G182 D185 K392G182-G382 WeakPolarHBondContact O-CA 3.4Å; D185-G382 PolarHBondContact OD1-N 3.21Å; G382-K392 PolarHBondContact O-NZ 2.8Å
383A88Confident86.6Confident13 Ų1339.9 Ų39.911%0.10723%0.23CC..  trans-156.3161.1176.600000112.1G182 E388 M389G182-A383 PolarHBondContact O-N 3.26Å; A383-E388 HydrophobicContact CB-CB 4.03Å; A383-E388 HydrophobicContact CB-CG 3.86Å; A383-M389 HydrophobicContact CB-CB 3.8Å; A383-M389 HydrophobicContact CB-CG 4.43Å
384A88.8Confident86.8Confident74 Ų7438.9 Ų38.961%0.61222%0.222SC*.SBendtrans-79.1-25.3-178.500000113L183 E388L183-A384 HydrophobicContact CD2-CB 4.13Å; A384-E388 PolarHBondContact N-OE2 2.67Å; A384-E388 VanDerWaalsContact N-OE2 3.15Å
385T86.7Confident87.5Confident78 Ų7840.2 Ų40.248%0.47922%0.22SC..SBendtrans-132.9153.4-179.168.10000111.1V387 E388 M389T385-V387 PolarHBondContact O-N 3.03Å; T385-E388 PolarHBondContact O-N 2.89Å; T385-E388 VanDerWaalsContact OG1-CB 3.27Å; T385-E388 WeakPolarHBondContact OG1-CB 3.46Å; T385-E388 PolarHBondContact OG1-N 2.78Å; T385-M389 WeakPolarHBondContact O-CB 3.25Å; T385-M389 PolarHBondContact O-N 2.59Å
386E82.9Confident87.9Confident130 Ų13039.4 Ų39.461%0.60721%0.211SC*.Hα-helixtrans-60.3-35.1177.6-169.6-172.9157.200112.3M389 K390E386-M389 PolarHBondContact O-N 2.85Å; E386-K390 WeakPolarHBondContact O-CG 3.12Å; E386-K390 PolarHBondContact O-N 2.92Å; E386-K390 WeakPolarHBondContact OE1-CE 3.49Å; E386-K390 IonicContact OE1-NZ 2.71Å; E386-K390 PolarHBondContact OE1-NZ 2.84Å
387V82.7Confident88Confident70 Ų7041.2 Ų41.242%0.42422%0.219SC..Hα-helixtrans-67.2-45.5179.2-177.60000110.9T385 K390 E391T385-V387 PolarHBondContact O-N 3.03Å; V387-K390 PolarHBondContact O-N 2.87Å; V387-E391 PolarHBondContact O-N 2.86Å; V387-E391 VanDerWaalsContact O-N 3.12Å
388E83.4Confident87.7Confident93 Ų9342.5 Ų42.544%0.43523%0.226SC..Hα-helixtrans-64.4-40.6175.3-176.4-176-160.600111.4A383 A384 T385 K390 E391 K392A383-E388 HydrophobicContact CB-CB 4.03Å; A383-E388 HydrophobicContact CB-CG 3.86Å; A384-E388 PolarHBondContact N-OE2 2.67Å; A384-E388 VanDerWaalsContact N-OE2 3.15Å; T385-E388 PolarHBondContact O-N 2.89Å; T385-E388 VanDerWaalsContact OG1-CB 3.27Å; T385-E388 WeakPolarHBondContact OG1-CB 3.46Å; T385-E388 PolarHBondContact OG1-N 2.78Å; E388-K390 PolarHBondContact O-N 2.87Å; E388-E391 PolarHBondContact O-N 2.93Å; E388-K392 VanDerWaalsContact O-CB 3.23Å; E388-K392 WeakPolarHBondContact O-CB 3.39Å; E388-K392 PolarHBondContact O-N 2.92Å
389M87.1Confident87.7Confident30 Ų3042.2 Ų42.215%0.14823%0.225CC..Hα-helixtrans-58.9-47.3176.6-167.9-176.8-72.500111.7D179 G180 A383 T385 E386 K392 K393D179-M389 HydrophobicContact CB-SD 3.7Å; G180-M389 WeakPolarHBondContact O-CE 3.44Å; A383-M389 HydrophobicContact CB-CB 3.8Å; A383-M389 HydrophobicContact CB-CG 4.43Å; T385-M389 WeakPolarHBondContact O-CB 3.25Å; T385-M389 PolarHBondContact O-N 2.59Å; E386-M389 PolarHBondContact O-N 2.85Å; M389-K392 PolarHBondContact O-N 3.04Å; M389-K393 WeakPolarHBondContact O-CB 3.42Å; M389-K393 PolarHBondContact O-N 2.9Å
390K83.6Confident87.5Confident103 Ų10342.5 Ų42.545%0.44823%0.226SC..Hα-helixtrans-64.3-43.7179.6-74.7178.3-176.2171.50112.3E386 V387 E388 A394E386-K390 WeakPolarHBondContact O-CG 3.12Å; E386-K390 PolarHBondContact O-N 2.92Å; E386-K390 WeakPolarHBondContact OE1-CE 3.49Å; E386-K390 IonicContact OE1-NZ 2.71Å; E386-K390 PolarHBondContact OE1-NZ 2.84Å; V387-K390 PolarHBondContact O-N 2.87Å; E388-K390 PolarHBondContact O-N 2.87Å; K390-A394 PolarHBondContact O-N 2.98Å
391E85Confident87.3Confident44 Ų4444.1 Ų44.121%0.20623%0.234CC..Hα-helixtrans-65.5-45.8177.8-172.9-79.7150.900111.2V387 E388 K393 A394 R395V387-E391 PolarHBondContact O-N 2.86Å; V387-E391 VanDerWaalsContact O-N 3.12Å; E388-E391 PolarHBondContact O-N 2.93Å; E391-K393 PolarHBondContact O-N 3.15Å; E391-A394 PolarHBondContact O-N 3.5Å; E391-R395 WeakPolarHBondContact O-CB 3.45Å; E391-R395 PolarHBondContact O-N 2.73Å; E391-R395 IonicContact OE1-CZ 3.35Å; E391-R395 VanDerWaalsContact OE1-CZ 3.31Å; E391-R395 IonicContact OE1-NE 3.82Å; E391-R395 PolarHBondContact OE1-NE 2.78Å; E391-R395 IonicContact OE1-NH2 2.86Å; E391-R395 PolarHBondContact OE1-NH2 2.97Å; E391-R395 IonicContact OE2-CZ 3.1Å; E391-R395 IonicContact OE2-NE 2.75Å; E391-R395 IonicContact OE2-NH2 3.09Å; E391-R395 PolarHBondContact OE2-NH2 3.32Å
392K87.9Confident87.3Confident33 Ų3344.1 Ų44.114%0.14323%0.234CC..Hα-helixtrans-63.8-41.9178-169.2176.8179.2-168.80111.6D185 V381 G382 E388 M389 R395 V396D185-K392 WeakPolarHBondContact OD1-CE 3.3Å; D185-K392 IonicContact OD1-NZ 2.65Å; D185-K392 PolarHBondContact OD1-NZ 2.64Å; D185-K392 VanDerWaalsContact OD2-CE 3.22Å; D185-K392 WeakPolarHBondContact OD2-CE 3.43Å; D185-K392 IonicContact OD2-NZ 2.77Å; D185-K392 PolarHBondContact OD2-NZ 3.35Å; V381-K392 HydrophobicContact CG1-CB 3.74Å; V381-K392 HydrophobicContact CG1-CD 3.59Å; V381-K392 HydrophobicContact CG1-CG 3.54Å; G382-K392 PolarHBondContact O-NZ 2.8Å; E388-K392 VanDerWaalsContact O-CB 3.23Å; E388-K392 WeakPolarHBondContact O-CB 3.39Å; E388-K392 PolarHBondContact O-N 2.92Å; M389-K392 PolarHBondContact O-N 3.04Å; K392-R395 WeakPolarHBondContact O-CB 3.27Å; K392-R395 PolarHBondContact O-N 3.42Å; K392-V396 VanDerWaalsContact O-CG2 3.3Å; K392-V396 WeakPolarHBondContact O-CG2 3.49Å; K392-V396 PolarHBondContact O-N 3.25Å
393K88.4Confident87.3Confident18 Ų1844 Ų448%0.07823%0.233CC..Hα-helixtrans-58.9-51.3175.8177.2175.3-178.8-176.30112V177 D179 E214 V381 M389 E391 R395 V396 E397V177-K393 HydrophobicContact CG1-CG 3.88Å; V177-K393 WeakPolarHBondContact O-CE 3.47Å; D179-K393 WeakPolarHBondContact OD1-CD 3.5Å; D179-K393 IonicContact OD1-NZ 3.82Å; D179-K393 PolarHBondContact OD1-NZ 2.81Å; E214-K393 IonicContact OE1-NZ 2.69Å; V381-K393 HydrophobicContact CG2-CB 4.47Å; M389-K393 WeakPolarHBondContact O-CB 3.42Å; M389-K393 PolarHBondContact O-N 2.9Å; E391-K393 PolarHBondContact O-N 3.15Å; K393-R395 PolarHBondContact O-N 2.84Å; K393-V396 PolarHBondContact O-N 3.13Å; K393-V396 VanDerWaalsContact O-N 3.09Å; K393-E397 WeakPolarHBondContact CE-OE1 3.5Å; K393-E397 HydrophobicContact CG-CG 4.47Å; K393-E397 WeakPolarHBondContact O-CG 3.5Å; K393-E397 PolarHBondContact O-N 3.18Å
394A84.6Confident87.4Confident35 Ų3546.4 Ų46.429%0.28924%0.24SC..Hα-helixtrans-55.6-42.6176.700000111K390 E391 V396 E397 D398K390-A394 PolarHBondContact O-N 2.98Å; E391-A394 PolarHBondContact O-N 3.5Å; A394-V396 PolarHBondContact O-N 2.96Å; A394-E397 PolarHBondContact O-N 2.83Å; A394-D398 VanDerWaalsContact O-CG 3.31Å; A394-D398 PolarHBondContact O-N 2.8Å
395R88.5Confident87.5Confident52 Ų5243 Ų4320%0.19621%0.211CC..Hα-helixtrans-62.8-40.3176.7-163.7-166.2-56.9169.22.7113.4A152 N153 D155 E391 K392 K393 A399A152-R395 HydrophobicContact CB-CG 4.31Å; A152-R395 WeakPolarHBondContact O-CD 3.28Å; N153-R395 PolarHBondContact ND2-NE 2.9Å; D155-R395 IonicContact OD2-NH1 3.64Å; E391-R395 WeakPolarHBondContact O-CB 3.45Å; E391-R395 PolarHBondContact O-N 2.73Å; E391-R395 IonicContact OE1-CZ 3.35Å; E391-R395 VanDerWaalsContact OE1-CZ 3.31Å; E391-R395 IonicContact OE1-NE 3.82Å; E391-R395 PolarHBondContact OE1-NE 2.78Å; E391-R395 IonicContact OE1-NH2 2.86Å; E391-R395 PolarHBondContact OE1-NH2 2.97Å; E391-R395 IonicContact OE2-CZ 3.1Å; E391-R395 IonicContact OE2-NE 2.75Å; E391-R395 IonicContact OE2-NH2 3.09Å; E391-R395 PolarHBondContact OE2-NH2 3.32Å; K392-R395 WeakPolarHBondContact O-CB 3.27Å; K392-R395 PolarHBondContact O-N 3.42Å; K393-R395 PolarHBondContact O-N 2.84Å; R395-A399 WeakPolarHBondContact O-CB 3.12Å; R395-A399 PolarHBondContact O-N 2.77Å; R395-A399 VanDerWaalsContact O-N 3.09Å
396V91Very high87.7Confident1 Ų139.3 Ų39.31%0.00619%0.189CC..Hα-helixtrans-67.9-40.3175.4179.40000111V158 V177 I379 V381 K392 K393 A394 A399 L400V158-V396 HydrophobicContact CB-CG2 4.49Å; V158-V396 HydrophobicContact CG1-CB 4.3Å; V158-V396 HydrophobicContact CG1-CG1 4.3Å; V158-V396 HydrophobicContact CG1-CG2 3.79Å; V158-V396 HydrophobicContact CG2-CG2 3.86Å; V177-V396 HydrophobicContact CG1-CB 4.06Å; V177-V396 HydrophobicContact CG1-CG1 3.95Å; V177-V396 HydrophobicContact CG2-CB 4.43Å; V177-V396 HydrophobicContact CG2-CG1 3.78Å; I379-V396 HydrophobicContact CD1-CG1 4.21Å; I379-V396 HydrophobicContact CG2-CG1 3.97Å; V381-V396 HydrophobicContact CG2-CB 4.38Å; V381-V396 HydrophobicContact CG2-CG2 3.98Å; K392-V396 VanDerWaalsContact O-CG2 3.3Å; K392-V396 WeakPolarHBondContact O-CG2 3.49Å; K392-V396 PolarHBondContact O-N 3.25Å; K393-V396 PolarHBondContact O-N 3.13Å; K393-V396 VanDerWaalsContact O-N 3.09Å; A394-V396 PolarHBondContact O-N 2.96Å; V396-A399 PolarHBondContact O-N 2.86Å; V396-L400 WeakPolarHBondContact O-CB 3.1Å; V396-L400 PolarHBondContact O-N 3.21Å
397E87.6Confident88.1Confident39 Ų3935 Ų3518%0.18217%0.171CC..Hα-helixtrans-61.4-47.4176.7-72.1176.2172.700111.5V177 K393 A394 A399 L400 H401V177-E397 HydrophobicContact CB-CG 3.77Å; V177-E397 HydrophobicContact CG1-CG 4.29Å; V177-E397 HydrophobicContact CG2-CG 3.79Å; K393-E397 WeakPolarHBondContact CE-OE1 3.5Å; K393-E397 HydrophobicContact CG-CG 4.47Å; K393-E397 WeakPolarHBondContact O-CG 3.5Å; K393-E397 PolarHBondContact O-N 3.18Å; A394-E397 PolarHBondContact O-N 2.83Å; E397-A399 PolarHBondContact O-N 3.29Å; E397-L400 WeakPolarHBondContact O-CB 3.3Å; E397-L400 PolarHBondContact O-N 3.09Å; E397-H401 PolarHBondContact O-N 2.84Å; E397-H401 PolarHBondContact O-ND1 2.86Å
398D86.5Confident88.4Confident28 Ų2837.5 Ų37.515%0.1518%0.178CC..Hα-helixtrans-60.1-46176.2-68-14.9000111.2A394 L400 H401 A402A394-D398 VanDerWaalsContact O-CG 3.31Å; A394-D398 PolarHBondContact O-N 2.8Å; D398-L400 VanDerWaalsContact C-N 3.3Å; D398-L400 PolarHBondContact O-N 3.2Å; D398-H401 PolarHBondContact O-N 2.75Å; D398-A402 WeakPolarHBondContact O-CB 3.44Å; D398-A402 PolarHBondContact O-N 3.4Å
399A91Very high88.9Confident0 Ų035.5 Ų35.50%017%0.169CC..Hα-helixtrans-62.7-35.9177.400000112.9A152 V158 I162 R395 V396 E397 T403A152-A399 HydrophobicContact CB-CB 3.91Å; V158-A399 HydrophobicContact CG1-CB 4.32Å; I162-A399 HydrophobicContact CD1-CB 3.51Å; R395-A399 WeakPolarHBondContact O-CB 3.12Å; R395-A399 PolarHBondContact O-N 2.77Å; R395-A399 VanDerWaalsContact O-N 3.09Å; V396-A399 PolarHBondContact O-N 2.86Å; E397-A399 PolarHBondContact O-N 3.29Å; A399-T403 WeakPolarHBondContact O-CB 3.39Å; A399-T403 PolarHBondContact O-N 2.78Å; A399-T403 PolarHBondContact O-OG1 3.42Å
400L90.2Very high89.3Confident5 Ų534.2 Ų34.23%0.02616%0.163CC..Hα-helixtrans-66.3-43.1175.1178.663.6000111.4I162 M166 I175 V177 V396 E397 D398 T403 R404I162-L400 HydrophobicContact CG2-CD1 4.32Å; M166-L400 HydrophobicContact CE-CD1 3.87Å; I175-L400 HydrophobicContact CB-CD1 3.77Å; I175-L400 HydrophobicContact CB-CD2 3.85Å; I175-L400 HydrophobicContact CB-CG 4.46Å; I175-L400 HydrophobicContact CD1-CD1 3.71Å; I175-L400 HydrophobicContact CG1-CD1 4.33Å; I175-L400 HydrophobicContact CG2-CD1 3.83Å; I175-L400 HydrophobicContact CG2-CD2 3.76Å; I175-L400 HydrophobicContact CG2-CG 4.45Å; I175-L400 WeakPolarHBondContact O-CD2 3.4Å; V177-L400 HydrophobicContact CG2-CD2 4.26Å; V396-L400 WeakPolarHBondContact O-CB 3.1Å; V396-L400 PolarHBondContact O-N 3.21Å; E397-L400 WeakPolarHBondContact O-CB 3.3Å; E397-L400 PolarHBondContact O-N 3.09Å; D398-L400 VanDerWaalsContact C-N 3.3Å; D398-L400 PolarHBondContact O-N 3.2Å; L400-T403 PolarHBondContact O-N 3.32Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 3.35Å
401H88.6Confident89.9Confident79 Ų7929.6 Ų29.637%0.36614%0.144SC..Hα-helixtrans-64.1-45176.1-65.9125000112.1E397 D398 T403 R404 A405E397-H401 PolarHBondContact O-N 2.84Å; E397-H401 PolarHBondContact O-ND1 2.86Å; D398-H401 PolarHBondContact O-N 2.75Å; H401-T403 VanDerWaalsContact C-N 3.28Å; H401-T403 PolarHBondContact O-N 3Å; H401-R404 PolarHBondContact O-N 3.03Å; H401-A405 WeakPolarHBondContact O-CB 3.49Å; H401-A405 PolarHBondContact O-N 2.94Å
402A90.4Very high90.4Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-58.9-41.2175.500000111.9D87 V147 S151 D398 A405 A406 P496D87-A402 HydrophobicContact CB-CB 3.9Å; D87-A402 WeakPolarHBondContact OD2-CB 3.42Å; V147-A402 HydrophobicContact CG1-CB 4.31Å; S151-A402 WeakPolarHBondContact OG-CB 3.44Å; D398-A402 WeakPolarHBondContact O-CB 3.44Å; D398-A402 PolarHBondContact O-N 3.4Å; A402-A405 WeakPolarHBondContact O-CB 3.42Å; A402-A405 PolarHBondContact O-N 2.81Å; A402-A406 WeakPolarHBondContact O-CB 3.36Å; A402-A406 PolarHBondContact O-N 2.93Å; A402-P496 HydrophobicContact CB-CG 4.07Å; A402-P496 WeakPolarHBondContact O-CG 3.37Å
403T91.2Very high90.9Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-64.1-44.5176.4-590000111.7I144 I162 M166 A399 L400 H401 A405 A406 V407I144-T403 HydrophobicContact CB-CG2 4.41Å; I144-T403 HydrophobicContact CG2-CG2 3.62Å; I162-T403 HydrophobicContact CG2-CG2 3.88Å; M166-T403 HydrophobicContact CE-CG2 3.98Å; A399-T403 WeakPolarHBondContact O-CB 3.39Å; A399-T403 PolarHBondContact O-N 2.78Å; A399-T403 PolarHBondContact O-OG1 3.42Å; L400-T403 PolarHBondContact O-N 3.32Å; H401-T403 VanDerWaalsContact C-N 3.28Å; H401-T403 PolarHBondContact O-N 3Å; T403-A405 VanDerWaalsContact C-N 3.34Å; T403-A405 PolarHBondContact O-N 2.92Å; T403-A406 WeakPolarHBondContact O-CB 3.34Å; T403-A406 PolarHBondContact O-N 2.9Å; T403-V407 WeakPolarHBondContact O-CG2 3.12Å; T403-V407 PolarHBondContact O-N 3.05Å
404R88.5Confident91.2Very high63 Ų6325.5 Ų25.524%0.23813%0.126CC..Hα-helixtrans-60.3-45.2174-73.8178.4176.2151.97.2111.5M166 I175 L400 H401 A406 V407 E408M166-R404 HydrophobicContact CE-CG 3.82Å; I175-R404 VanDerWaalsContact N-NH2 3.18Å; I175-R404 PolarHBondContact O-NH2 2.82Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 3.35Å; H401-R404 PolarHBondContact O-N 3.03Å; R404-A406 PolarHBondContact O-N 2.95Å; R404-V407 PolarHBondContact O-N 3.41Å; R404-V407 VanDerWaalsContact O-N 3.13Å; R404-E408 WeakPolarHBondContact O-CG 3.38Å; R404-E408 PolarHBondContact O-N 3.43Å
405A90.8Very high91.6Very high2 Ų224.6 Ų24.62%0.01712%0.12CC..Hα-helixtrans-59.2-35.9176.200000112.4H401 A402 T403 E409 P496 K498 V499H401-A405 WeakPolarHBondContact O-CB 3.49Å; H401-A405 PolarHBondContact O-N 2.94Å; A402-A405 WeakPolarHBondContact O-CB 3.42Å; A402-A405 PolarHBondContact O-N 2.81Å; T403-A405 VanDerWaalsContact C-N 3.34Å; T403-A405 PolarHBondContact O-N 2.92Å; A405-E409 PolarHBondContact O-N 2.89Å; A405-P496 HydrophobicContact CB-CB 4.12Å; A405-K498 HydrophobicContact CB-CB 4.07Å; A405-K498 HydrophobicContact CB-CD 3.96Å; A405-K498 HydrophobicContact CB-CG 4.39Å; A405-V499 HydrophobicContact CB-CG2 4.11Å
406A92.6Very high92Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-71.4-39.5174.400000112.7C138 V147 A402 T403 R404 E408 G410 V411 P496C138-A406 HydrophobicContact CB-CB 4.2Å; C138-A406 VanDerWaalsContact CB-O 3.3Å; C138-A406 WeakPolarHBondContact CB-O 3.38Å; V147-A406 HydrophobicContact CB-CB 4.44Å; V147-A406 HydrophobicContact CG1-CB 3.99Å; V147-A406 HydrophobicContact CG2-CB 3.91Å; A402-A406 WeakPolarHBondContact O-CB 3.36Å; A402-A406 PolarHBondContact O-N 2.93Å; T403-A406 WeakPolarHBondContact O-CB 3.34Å; T403-A406 PolarHBondContact O-N 2.9Å; R404-A406 PolarHBondContact O-N 2.95Å; A406-E408 VanDerWaalsContact C-N 3.31Å; A406-E408 PolarHBondContact O-N 2.86Å; A406-G410 CarbonylContact O-C 3.46Å; A406-G410 WeakPolarHBondContact O-CA 3.46Å; A406-G410 PolarHBondContact O-N 3.03Å; A406-V411 HydrophobicContact CB-CG1 3.65Å; A406-P496 HydrophobicContact CB-CB 3.94Å; A406-P496 HydrophobicContact CB-CG 4.09Å
407V90.3Very high92.3Very high41 Ų4122.3 Ų22.325%0.24811%0.113CC..Hα-helixtrans-65.1-37175.7172.10000111.1I144 K171 T403 R404I144-V407 HydrophobicContact CD1-CG2 4.3Å; I144-V407 HydrophobicContact CG1-CG2 4.3Å; K171-V407 HydrophobicContact CD-CG1 4.5Å; T403-V407 WeakPolarHBondContact O-CG2 3.12Å; T403-V407 PolarHBondContact O-N 3.05Å; R404-V407 PolarHBondContact O-N 3.41Å; R404-V407 VanDerWaalsContact O-N 3.13Å
408E89.8Confident92.8Very high121 Ų12120.6 Ų20.657%0.56511%0.106SC*.Hα-helixtrans-70.8-45.8-179.9-74.4174.8-163.500113.7R404 A406 K498R404-E408 WeakPolarHBondContact O-CG 3.38Å; R404-E408 PolarHBondContact O-N 3.43Å; A406-E408 VanDerWaalsContact C-N 3.31Å; A406-E408 PolarHBondContact O-N 2.86Å; E408-K498 IonicContact OE1-NZ 2.84Å; E408-K498 IonicContact OE2-NZ 3.23Å; E408-K498 PolarHBondContact OE2-NZ 2.8Å
409E94.1Very high93.4Very high52 Ų5219.3 Ų19.324%0.24310%0.099CC..Hα-helixtrans-121.72.4-170.6-67.5-168.8-150.800115.1S135 A405 K498 R501S135-E409 PolarHBondContact OG-O 3.46Å; A405-E409 PolarHBondContact O-N 2.89Å; E409-K498 HydrophobicContact CB-CB 4.08Å; E409-K498 HydrophobicContact CG-CB 4.1Å; E409-R501 IonicContact OE1-CZ 3.56Å; E409-R501 IonicContact OE1-NE 3.94Å; E409-R501 PolarHBondContact OE1-NE 2.97Å; E409-R501 IonicContact OE1-NH2 3.31Å; E409-R501 PolarHBondContact OE1-NH2 3.24Å; E409-R501 WeakPolarHBondContact OE2-CD 3.36Å; E409-R501 IonicContact OE2-CZ 2.7Å; E409-R501 IonicContact OE2-NE 2.8Å; E409-R501 PolarHBondContact OE2-NE 2.64Å; E409-R501 IonicContact OE2-NH2 2.66Å
410G95.1Very high93.7Very high3 Ų319.4 Ų19.43%0.03110%0.099CC..  trans78.7-169.5-173.600000113.3S135 V136 A406 T497S135-G410 WeakPolarHBondContact OG-CA 3.45Å; V136-G410 CarbonylContact O-C 3.09Å; V136-G410 WeakPolarHBondContact O-CA 3.26Å; A406-G410 CarbonylContact O-C 3.46Å; A406-G410 WeakPolarHBondContact O-CA 3.46Å; A406-G410 PolarHBondContact O-N 3.03Å; G410-T497 PolarHBondContact O-N 3.41Å; G410-T497 PolarHBondContact O-OG1 3.5Å
411V95.9Very high94Very high6 Ų620.6 Ų20.64%0.03610%0.104CC..EExtended strand (participates in β ladder)trans-127.6154-174.8-68.70000111.3S135 V136 C138 V147 A406 L494 D495S135-V411 WeakPolarHBondContact CA-O 3.29Å; S135-V411 PolarHBondContact OG-N 3.35Å; V136-V411 PolarHBondContact N-O 3.34Å; V136-V411 PolarHBondContact O-N 3.2Å; C138-V411 HydrophobicContact CB-CG1 4.05Å; V147-V411 HydrophobicContact CG2-CG1 3.64Å; A406-V411 HydrophobicContact CB-CG1 3.65Å; V411-L494 HydrophobicContact CB-CB 4.27Å; V411-L494 HydrophobicContact CG1-CB 4.42Å; V411-L494 HydrophobicContact CG2-CD1 4.28Å; V411-L494 HydrophobicContact CG2-CD2 4.28Å; V411-D495 WeakPolarHBondContact CA-O 3.43Å
412V96.6Very high94.4Very high3 Ų316.9 Ų16.92%0.0189%0.086CC..EExtended strand (participates in β ladder)trans-125.5166172.1-72.60000110.6L134 G414 A418 D495 T497L134-V412 HydrophobicContact CB-CG1 4.16Å; V412-G414 PolarHBondContact O-N 3.36Å; V412-G414 VanDerWaalsContact O-N 3.13Å; V412-A418 HydrophobicContact CB-CB 3.75Å; V412-A418 HydrophobicContact CG1-CB 4.49Å; V412-A418 HydrophobicContact CG2-CB 3.67Å; V412-D495 HydrophobicContact CG2-CB 4.42Å; V412-D495 WeakPolarHBondContact CG2-O 3.2Å; V412-D495 PolarHBondContact N-O 2.82Å; V412-D495 PolarHBondContact O-N 2.93Å; V412-T497 WeakPolarHBondContact CG1-OG1 3.48Å
413A96.5Very high94.7Very high5 Ų517.3 Ų17.34%0.0419%0.09CC..EExtended strand (participates in β ladder)trans-56.7117173.300000110.9V417 A418 N475 M488A413-V417 HydrophobicContact CB-CB 4.16Å; A413-V417 HydrophobicContact CB-CG1 4.03Å; A413-A418 WeakPolarHBondContact O-CB 3.31Å; A413-A418 PolarHBondContact O-N 3.11Å; A413-A418 VanDerWaalsContact O-N 3.12Å; A413-N475 HydrophobicContact CB-CB 4.31Å; A413-M488 HydrophobicContact CB-CB 3.98Å; A413-M488 HydrophobicContact CB-CG 4.37Å
414G95.3Very high94.9Very high0 Ų019.4 Ų19.40%011%0.105CC..THydrogen-bonded Turntrans-78.5-171.7-171.100000114.8V412 G416 V417 I493 D495V412-G414 PolarHBondContact O-N 3.36Å; V412-G414 VanDerWaalsContact O-N 3.13Å; G414-G416 PolarHBondContact O-N 3.08Å; G414-V417 WeakPolarHBondContact O-CB 3.34Å; G414-V417 WeakPolarHBondContact O-CG2 3.27Å; G414-V417 PolarHBondContact O-N 3.42Å; G414-I493 PolarHBondContact N-O 3.47Å; G414-D495 WeakPolarHBondContact CA-OD1 3.3Å; G414-D495 VanDerWaalsContact CA-OD2 3.25Å; G414-D495 WeakPolarHBondContact CA-OD2 3.1Å
415G94.1Very high95.2Very high16 Ų1622.8 Ų22.817%0.16512%0.121CC..THydrogen-bonded Turntrans68.821.117700000114.2V417 L451 D495G415-V417 VanDerWaalsContact C-N 3.32Å; G415-L451 WeakPolarHBondContact O-CB 3.11Å; G415-D495 PolarHBondContact N-OD2 3.31Å
416G96.2Very high95.5Very high5 Ų523.4 Ų23.45%0.05212%0.124CC..THydrogen-bonded Turntrans81.63.5-176.400000115G414 L419 I420G414-G416 PolarHBondContact O-N 3.08Å; G416-L419 PolarHBondContact O-N 2.94Å; G416-I420 PolarHBondContact O-N 2.93Å
417V97.7Very high95.6Very high0 Ų026 Ų260%015%0.146CC..Hα-helixtrans-64.6-44.5179.8175.30000111.3A413 G414 G415 L419 I420 R421 L451 V469 Y476 M488A413-V417 HydrophobicContact CB-CB 4.16Å; A413-V417 HydrophobicContact CB-CG1 4.03Å; G414-V417 WeakPolarHBondContact O-CB 3.34Å; G414-V417 WeakPolarHBondContact O-CG2 3.27Å; G414-V417 PolarHBondContact O-N 3.42Å; G415-V417 VanDerWaalsContact C-N 3.32Å; V417-L419 VanDerWaalsContact C-N 3.29Å; V417-L419 PolarHBondContact O-N 3.26Å; V417-I420 PolarHBondContact O-N 3.34Å; V417-I420 VanDerWaalsContact O-N 3.11Å; V417-R421 HydrophobicContact CG1-CG 4.35Å; V417-R421 WeakPolarHBondContact O-CG 3.47Å; V417-R421 PolarHBondContact O-N 3.35Å; V417-L451 HydrophobicContact CG2-CD1 4.23Å; V417-V469 HydrophobicContact CG1-CG1 4.25Å; V417-V469 HydrophobicContact CG2-CG1 4.09Å; V417-Y476 WeakPolarHBondContact CG1-O 3.29Å; V417-M488 HydrophobicContact CB-CG 4.4Å; V417-M488 HydrophobicContact CG2-CE 4.24Å; V417-M488 HydrophobicContact CG2-CG 3.95Å; V417-M488 HydrophobicContact CG2-SD 4.41Å
418A97.6Very high95.8Very high3 Ų330.3 Ų30.33%0.02517%0.167CC..Hα-helixtrans-55.2-43.4176.300000112.6L131 V412 A413 I420 R421 V422L131-A418 HydrophobicContact CD2-CB 3.89Å; V412-A418 HydrophobicContact CB-CB 3.75Å; V412-A418 HydrophobicContact CG1-CB 4.49Å; V412-A418 HydrophobicContact CG2-CB 3.67Å; A413-A418 WeakPolarHBondContact O-CB 3.31Å; A413-A418 PolarHBondContact O-N 3.11Å; A413-A418 VanDerWaalsContact O-N 3.12Å; A418-I420 PolarHBondContact O-N 2.89Å; A418-R421 PolarHBondContact O-N 3.26Å; A418-V422 WeakPolarHBondContact O-CB 3.45Å; A418-V422 VanDerWaalsContact O-CG2 3.29Å; A418-V422 WeakPolarHBondContact O-CG2 3.45Å; A418-V422 PolarHBondContact O-N 2.91Å
419L98.1Very high96.2Very high2 Ų226.4 Ų26.41%0.0115%0.15CC..Hα-helixtrans-64.5-38.6177.8-71174.6000112.3L95 L131 G416 V417 A423 M447 P450 T500 L504L95-L419 HydrophobicContact CD1-CD1 4.25Å; L95-L419 HydrophobicContact CD2-CD1 4.25Å; L131-L419 HydrophobicContact CD1-CD2 4.29Å; G416-L419 PolarHBondContact O-N 2.94Å; V417-L419 VanDerWaalsContact C-N 3.29Å; V417-L419 PolarHBondContact O-N 3.26Å; L419-A423 VanDerWaalsContact O-CB 3.24Å; L419-A423 WeakPolarHBondContact O-CB 3.44Å; L419-A423 PolarHBondContact O-N 3.28Å; L419-M447 HydrophobicContact CB-CB 4.08Å; L419-M447 WeakPolarHBondContact CB-O 3.27Å; L419-M447 HydrophobicContact CD2-CG 4.35Å; L419-P450 HydrophobicContact CD1-CG 3.9Å; L419-T500 HydrophobicContact CD1-CG2 4.19Å; L419-T500 HydrophobicContact CD2-CG2 3.87Å; L419-T500 HydrophobicContact CG-CG2 3.8Å; L419-L504 HydrophobicContact CD2-CD2 4.18Å
420I97.6Very high96.3Very high1 Ų130.2 Ų30.21%0.00516%0.162CC..Hα-helixtrans-66.1-40.8175.1-68.4172.5000111.5G416 V417 A418 A423 S424 E448 L451 V469 K470G416-I420 PolarHBondContact O-N 2.93Å; V417-I420 PolarHBondContact O-N 3.34Å; V417-I420 VanDerWaalsContact O-N 3.11Å; A418-I420 PolarHBondContact O-N 2.89Å; I420-A423 PolarHBondContact O-N 3.06Å; I420-S424 WeakPolarHBondContact O-CB 3.38Å; I420-S424 PolarHBondContact O-N 2.93Å; I420-S424 PolarHBondContact O-OG 3.35Å; I420-E448 HydrophobicContact CG1-CG 4.34Å; I420-L451 HydrophobicContact CD1-CB 3.85Å; I420-L451 HydrophobicContact CD1-CD1 3.71Å; I420-L451 HydrophobicContact CD1-CD2 3.9Å; I420-L451 HydrophobicContact CD1-CG 4.01Å; I420-V469 HydrophobicContact CD1-CG1 4.07Å; I420-V469 HydrophobicContact CG2-CG1 4.41Å; I420-K470 HydrophobicContact CG2-CB 4.06Å; I420-K470 HydrophobicContact CG2-CG 4.36Å
421R97.2Very high96.4Very high30 Ų3030.9 Ų30.911%0.11317%0.169CC..Hα-helixtrans-62.5-48177.2-67.4-72170.4-101.2-6.8111L134 V417 A418 S424 K425 V469 G472 G474 Y476L134-R421 HydrophobicContact CD1-CB 4.25Å; V417-R421 HydrophobicContact CG1-CG 4.35Å; V417-R421 WeakPolarHBondContact O-CG 3.47Å; V417-R421 PolarHBondContact O-N 3.35Å; A418-R421 PolarHBondContact O-N 3.26Å; R421-S424 PolarHBondContact O-N 3.26Å; R421-K425 PolarHBondContact O-N 2.92Å; R421-V469 VanDerWaalsContact CZ-O 3.24Å; R421-V469 PolarHBondContact NH1-O 3.07Å; R421-V469 PolarHBondContact NH2-O 2.69Å; R421-G472 PolarHBondContact NH1-O 3.11Å; R421-G472 PolarHBondContact NH2-O 3.48Å; R421-G474 VanDerWaalsContact CD-O 3.3Å; R421-G474 WeakPolarHBondContact CD-O 3.42Å; R421-G474 PolarHBondContact NE-O 3.46Å; R421-Y476 PolarHBondContact NH2-O 3.27Å
422V97.2Very high96.4Very high1 Ų138.7 Ų38.71%0.00621%0.206CC..Hα-helixtrans-61-46.5175.7170.90000111A127 E130 L131 L134 A418 S424 K425 L426 M447A127-V422 VanDerWaalsContact CA-CG1 3.45Å; A127-V422 HydrophobicContact CB-CG1 3.47Å; A127-V422 VanDerWaalsContact CB-CG1 3.47Å; E130-V422 HydrophobicContact CB-CG1 4.02Å; E130-V422 HydrophobicContact CB-CG2 3.93Å; L131-V422 HydrophobicContact CD2-CG2 3.85Å; L131-V422 HydrophobicContact CG-CG2 4Å; L134-V422 HydrophobicContact CD1-CG2 3.7Å; A418-V422 WeakPolarHBondContact O-CB 3.45Å; A418-V422 VanDerWaalsContact O-CG2 3.29Å; A418-V422 WeakPolarHBondContact O-CG2 3.45Å; A418-V422 PolarHBondContact O-N 2.91Å; V422-S424 VanDerWaalsContact C-N 3.27Å; V422-S424 PolarHBondContact O-N 3.47Å; V422-K425 PolarHBondContact O-N 3.31Å; V422-L426 HydrophobicContact CG1-CD1 3.79Å; V422-L426 HydrophobicContact CG1-CG 4.42Å; V422-L426 WeakPolarHBondContact O-CB 3.26Å; V422-L426 WeakPolarHBondContact O-CG 3.46Å; V422-L426 PolarHBondContact O-N 3.43Å; V422-M447 HydrophobicContact CG1-SD 4.48Å
423A96.7Very high96.5Very high9 Ų941.4 Ų41.47%0.07422%0.22CC..Hα-helixtrans-59.6-39178.400000112.4L419 I420 L426 A427 L444 M447L419-A423 VanDerWaalsContact O-CB 3.24Å; L419-A423 WeakPolarHBondContact O-CB 3.44Å; L419-A423 PolarHBondContact O-N 3.28Å; I420-A423 PolarHBondContact O-N 3.06Å; A423-L426 PolarHBondContact O-N 3.3Å; A423-A427 PolarHBondContact O-N 3.16Å; A423-L444 HydrophobicContact CB-CB 4.38Å; A423-L444 HydrophobicContact CB-CD2 4.26Å; A423-M447 HydrophobicContact CB-CB 4.01Å; A423-M447 HydrophobicContact CB-SD 3.87Å
424S95.5Very high96.5Very high44 Ų4446.2 Ų46.231%0.30824%0.241SC..Hα-helixtrans-69.2-41.1178.1-56.70000111.8I420 R421 V422 L426 A427I420-S424 WeakPolarHBondContact O-CB 3.38Å; I420-S424 PolarHBondContact O-N 2.93Å; I420-S424 PolarHBondContact O-OG 3.35Å; R421-S424 PolarHBondContact O-N 3.26Å; V422-S424 VanDerWaalsContact C-N 3.27Å; V422-S424 PolarHBondContact O-N 3.47Å; S424-L426 VanDerWaalsContact C-N 3.27Å; S424-L426 PolarHBondContact O-N 3.41Å; S424-A427 WeakPolarHBondContact O-CB 3.4Å; S424-A427 PolarHBondContact O-N 2.9Å
425K95.2Very high96.6Very high134 Ų13448.2 Ų48.258%0.58325%0.252SS*.Hα-helixtrans-65.6-30.1176.6-169.5172.1177.7-173.80112.7E130 R421 V422E130-K425 HydrophobicContact CG-CD 4.42Å; E130-K425 WeakPolarHBondContact OE1-CE 3.48Å; E130-K425 IonicContact OE1-NZ 2.7Å; E130-K425 PolarHBondContact OE1-NZ 3.2Å; E130-K425 VanDerWaalsContact OE1-NZ 3.1Å; E130-K425 WeakPolarHBondContact OE2-CD 3.5Å; E130-K425 VanDerWaalsContact OE2-CE 3.31Å; E130-K425 WeakPolarHBondContact OE2-CE 3.49Å; E130-K425 IonicContact OE2-NZ 3.95Å; E130-K425 PolarHBondContact OE2-NZ 2.95Å; R421-K425 PolarHBondContact O-N 2.92Å; V422-K425 PolarHBondContact O-N 3.31Å
426L96.5Very high96.8Very high15 Ų1547.8 Ų47.88%0.07925%0.246CC..THydrogen-bonded Turntrans-92.98.8-179.9-62.8178.4000114.2A126 A127 E130 V422 A423 S424 D428 L429 L444A126-L426 HydrophobicContact CB-CD1 3.89Å; A126-L426 HydrophobicContact CB-CD2 3.81Å; A127-L426 HydrophobicContact CB-CD1 3.92Å; E130-L426 HydrophobicContact CG-CD2 4.27Å; V422-L426 HydrophobicContact CG1-CD1 3.79Å; V422-L426 HydrophobicContact CG1-CG 4.42Å; V422-L426 WeakPolarHBondContact O-CB 3.26Å; V422-L426 WeakPolarHBondContact O-CG 3.46Å; V422-L426 PolarHBondContact O-N 3.43Å; A423-L426 PolarHBondContact O-N 3.3Å; S424-L426 VanDerWaalsContact C-N 3.27Å; S424-L426 PolarHBondContact O-N 3.41Å; L426-D428 PolarHBondContact O-N 3.36Å; L426-D428 VanDerWaalsContact O-N 3.14Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 2.66Å; L426-L444 HydrophobicContact CB-CD2 3.71Å; L426-L444 HydrophobicContact CD1-CD2 4.39Å
427A94.5Very high96.9Very high55 Ų5548.9 Ų48.946%0.45525%0.25SS..THydrogen-bonded Turntrans-57.6-30.4-178.100000113.6A423 S424 R430A423-A427 PolarHBondContact O-N 3.16Å; S424-A427 WeakPolarHBondContact O-CB 3.4Å; S424-A427 PolarHBondContact O-N 2.9Å; A427-R430 PolarHBondContact O-NH1 3.32Å
428D94.9Very high96.9Very high131 Ų13149.9 Ų49.970%0.70126%0.257SS*.THydrogen-bonded Turntrans-92.45.1178.9-72.4-40.2000114.7L426 R430L426-D428 PolarHBondContact O-N 3.36Å; L426-D428 VanDerWaalsContact O-N 3.14Å; D428-R430 VanDerWaalsContact CA-NH1 3.32Å; D428-R430 PolarHBondContact O-N 2.7Å; D428-R430 PolarHBondContact O-NH1 3.45Å; D428-R430 IonicContact OD1-NH2 3.5Å; D428-R430 PolarHBondContact OD1-NH2 2.86Å; D428-R430 VanDerWaalsContact OD1-NH2 3.09Å
429L97Very high96.9Very high39 Ų3949.8 Ų49.820%0.20426%0.256CS..  trans-61.6133.4172.6-170.466.4000110.1K122 A123 A126 L426 I440K122-L429 HydrophobicContact CG-CD2 4.38Å; A123-L429 HydrophobicContact CB-CD2 4.26Å; A126-L429 HydrophobicContact CB-CD2 4.26Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 2.66Å; L429-I440 HydrophobicContact CB-CG2 4.2Å; L429-I440 HydrophobicContact CD2-CD1 4.3Å; L429-I440 HydrophobicContact CD2-CG1 4.32Å; L429-I440 HydrophobicContact CD2-CG2 4.18Å; L429-I440 HydrophobicContact CG-CD1 4.07Å; L429-I440 HydrophobicContact CG-CG2 4.45Å
430R97.5Very high97Very high132 Ų13249.8 Ų49.850%0.49826%0.256SS..  trans-124140.2179.6-61.4-62.5174.3-96.1-8.3111.6K122 A427 D428K122-R430 WeakPolarHBondContact CE-O 3.43Å; K122-R430 PolarHBondContact NZ-O 2.89Å; A427-R430 PolarHBondContact O-NH1 3.32Å; D428-R430 VanDerWaalsContact CA-NH1 3.32Å; D428-R430 PolarHBondContact O-N 2.7Å; D428-R430 PolarHBondContact O-NH1 3.45Å; D428-R430 IonicContact OD1-NH2 3.5Å; D428-R430 PolarHBondContact OD1-NH2 2.86Å; D428-R430 VanDerWaalsContact OD1-NH2 3.09Å
431G96.4Very high97Very high18 Ų1855.4 Ų55.419%0.18628%0.28CS..  trans-83.6-173.617200000112.3N437G431-N437 PolarHBondContact N-OD1 3.16Å
432Q96.4Very high97Very high170 Ų17054.2 Ų54.279%0.79428%0.276SS*.SBendtrans-80.6-22.3175.6-62.7175.3-7.500112.8
433N97.6Very high97.1Very high59 Ų5954.1 Ų54.132%0.31628%0.276SS..SBendtrans-149.1177179.863.228000110.5D115 D435 Q436 N437D115-N433 VanDerWaalsContact CG-ND2 3.28Å; D115-N433 PolarHBondContact OD2-ND2 3.44Å; N433-D435 PolarHBondContact OD1-N 3.01Å; N433-Q436 PolarHBondContact O-N 3.45Å; N433-Q436 WeakPolarHBondContact OD1-CB 3.49Å; N433-Q436 WeakPolarHBondContact OD1-CG 3.35Å; N433-Q436 PolarHBondContact OD1-N 2.94Å; N433-N437 PolarHBondContact O-N 3.49Å
434E97.4Very high97.1Very high106 Ų10654.7 Ų54.750%0.49528%0.277SS..Hα-helixtrans-67-36.8-175.6-171.955.6-160.100113Q436 N437 V438 K441E434-Q436 VanDerWaalsContact C-N 3.3Å; E434-Q436 PolarHBondContact O-N 3.3Å; E434-N437 CarbonylContact O-C 3.57Å; E434-N437 WeakPolarHBondContact O-CA 3.39Å; E434-N437 VanDerWaalsContact O-CB 3.31Å; E434-N437 WeakPolarHBondContact O-CB 3.41Å; E434-N437 PolarHBondContact O-N 3.01Å; E434-N437 PolarHBondContact OE2-ND2 3.36Å; E434-V438 WeakPolarHBondContact O-CG2 3.4Å; E434-V438 PolarHBondContact O-N 3.37Å; E434-K441 IonicContact OE1-NZ 2.85Å
435D97.9Very high97.1Very high42 Ų4258.3 Ų58.323%0.22528%0.284CS..Hα-helixtrans-62.8-39.2177.5-68.36.7000111.2N112 D115 L116 N433 V438 G439N112-D435 WeakPolarHBondContact CB-OD2 3.44Å; N112-D435 PolarHBondContact N-OD2 3.33Å; D115-D435 HydrophobicContact CB-CB 3.56Å; L116-D435 WeakPolarHBondContact CD2-O 3.3Å; N433-D435 PolarHBondContact OD1-N 3.01Å; D435-V438 PolarHBondContact O-N 3Å; D435-G439 PolarHBondContact O-N 3.45Å
436Q98.3Very high97.3Very high7 Ų752.1 Ų52.13%0.03326%0.258CS..Hα-helixtrans-66.7-37.1171.4-71.3179.324.300112.2D115 R118 G119 N433 E434 V438 G439 I440D115-Q436 HydrophobicContact CB-CG 3.92Å; D115-Q436 VanDerWaalsContact O-CG 3.26Å; D115-Q436 WeakPolarHBondContact O-CG 3.29Å; D115-Q436 PolarHBondContact OD1-NE2 3.26Å; R118-Q436 HydrophobicContact CB-CG 4.1Å; G119-Q436 WeakPolarHBondContact CA-O 3.23Å; N433-Q436 PolarHBondContact O-N 3.45Å; N433-Q436 WeakPolarHBondContact OD1-CB 3.49Å; N433-Q436 WeakPolarHBondContact OD1-CG 3.35Å; N433-Q436 PolarHBondContact OD1-N 2.94Å; E434-Q436 VanDerWaalsContact C-N 3.3Å; E434-Q436 PolarHBondContact O-N 3.3Å; Q436-V438 VanDerWaalsContact C-N 3.27Å; Q436-V438 PolarHBondContact O-N 3.3Å; Q436-G439 PolarHBondContact O-N 3.45Å; Q436-I440 WeakPolarHBondContact O-CG1 3.35Å; Q436-I440 PolarHBondContact O-N 2.9Å
437N98.1Very high97.3Very high28 Ų2851.4 Ų51.415%0.1525%0.254CS..Hα-helixtrans-61.4-38173.5-68.8-29.8000111.5G431 N433 E434 I440 K441G431-N437 PolarHBondContact N-OD1 3.16Å; N433-N437 PolarHBondContact O-N 3.49Å; E434-N437 CarbonylContact O-C 3.57Å; E434-N437 WeakPolarHBondContact O-CA 3.39Å; E434-N437 VanDerWaalsContact O-CB 3.31Å; E434-N437 WeakPolarHBondContact O-CB 3.41Å; E434-N437 PolarHBondContact O-N 3.01Å; E434-N437 PolarHBondContact OE2-ND2 3.36Å; N437-I440 PolarHBondContact O-N 3.47Å; N437-K441 WeakPolarHBondContact O-CG 3.39Å; N437-K441 PolarHBondContact O-N 2.71Å
438V97.9Very high97.5Very high22 Ų2249.4 Ų49.413%0.13324%0.236CC..Hα-helixtrans-70.7-40.5175.3179.60000111A106 M111 L116 E434 D435 Q436 I440 K441 V442A106-V438 HydrophobicContact CB-CG1 4.09Å; M111-V438 HydrophobicContact CE-CB 4.17Å; M111-V438 HydrophobicContact CE-CG1 3.93Å; M111-V438 HydrophobicContact CE-CG2 3.66Å; M111-V438 HydrophobicContact SD-CB 3.59Å; M111-V438 VanDerWaalsContact SD-CB 3.59Å; M111-V438 HydrophobicContact SD-CG1 3.41Å; M111-V438 WeakPolarHBondContact SD-CG1 3.35Å; M111-V438 HydrophobicContact SD-CG2 3.7Å; L116-V438 HydrophobicContact CD2-CB 4.03Å; L116-V438 HydrophobicContact CD2-CG1 3.93Å; E434-V438 WeakPolarHBondContact O-CG2 3.4Å; E434-V438 PolarHBondContact O-N 3.37Å; D435-V438 PolarHBondContact O-N 3Å; Q436-V438 VanDerWaalsContact C-N 3.27Å; Q436-V438 PolarHBondContact O-N 3.3Å; V438-I440 VanDerWaalsContact C-N 3.28Å; V438-I440 PolarHBondContact O-N 2.83Å; V438-K441 CarbonylContact O-C 3.57Å; V438-K441 WeakPolarHBondContact O-CB 3.4Å; V438-K441 PolarHBondContact O-N 2.84Å; V438-V442 HydrophobicContact CG1-CG2 4.35Å; V438-V442 WeakPolarHBondContact O-CG2 3.31Å; V438-V442 PolarHBondContact O-N 2.83Å
439G98.1Very high97.6Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-56.7-40.8172.300000112.9L116 I120 D435 Q436 V442 A443L116-G439 WeakPolarHBondContact O-CA 3.31Å; I120-G439 VanDerWaalsContact CG1-O 3.27Å; I120-G439 WeakPolarHBondContact CG1-O 3.39Å; D435-G439 PolarHBondContact O-N 3.45Å; Q436-G439 PolarHBondContact O-N 3.45Å; G439-V442 WeakPolarHBondContact O-CB 3.37Å; G439-V442 PolarHBondContact O-N 2.89Å; G439-A443 PolarHBondContact O-N 2.73Å; G439-A443 VanDerWaalsContact O-N 3.15Å
440I98.4Very high97.7Very high3 Ų342.2 Ų42.22%0.01520%0.2CC..Hα-helixtrans-60.2-51172-69162.2000110.1G119 K122 A123 L429 Q436 N437 V438 V442 A443 L444G119-I440 VanDerWaalsContact O-CG1 3.31Å; G119-I440 WeakPolarHBondContact O-CG1 3.47Å; K122-I440 HydrophobicContact CD-CD1 4.48Å; A123-I440 HydrophobicContact CB-CB 4.41Å; A123-I440 HydrophobicContact CB-CG1 4.29Å; A123-I440 HydrophobicContact CB-CG2 4.24Å; L429-I440 HydrophobicContact CB-CG2 4.2Å; L429-I440 HydrophobicContact CD2-CD1 4.3Å; L429-I440 HydrophobicContact CD2-CG1 4.32Å; L429-I440 HydrophobicContact CD2-CG2 4.18Å; L429-I440 HydrophobicContact CG-CD1 4.07Å; L429-I440 HydrophobicContact CG-CG2 4.45Å; Q436-I440 WeakPolarHBondContact O-CG1 3.35Å; Q436-I440 PolarHBondContact O-N 2.9Å; N437-I440 PolarHBondContact O-N 3.47Å; V438-I440 VanDerWaalsContact C-N 3.28Å; V438-I440 PolarHBondContact O-N 2.83Å; I440-V442 VanDerWaalsContact C-N 3.29Å; I440-V442 PolarHBondContact O-N 2.89Å; I440-A443 PolarHBondContact O-N 2.81Å; I440-A443 VanDerWaalsContact O-N 3.14Å; I440-L444 HydrophobicContact CG2-CD1 3.79Å; I440-L444 HydrophobicContact CG2-CG 4.14Å; I440-L444 VanDerWaalsContact O-CG 3.32Å; I440-L444 WeakPolarHBondContact O-CG 3.36Å; I440-L444 PolarHBondContact O-N 2.9Å
441K97.8Very high97.7Very high119 Ų11936.1 Ų36.152%0.51718%0.177SC..Hα-helixtrans-58.7-38.6178.8-70.2168.6-175.11670112.6E434 N437 V438 L444 R445E434-K441 IonicContact OE1-NZ 2.85Å; N437-K441 WeakPolarHBondContact O-CG 3.39Å; N437-K441 PolarHBondContact O-N 2.71Å; V438-K441 CarbonylContact O-C 3.57Å; V438-K441 WeakPolarHBondContact O-CB 3.4Å; V438-K441 PolarHBondContact O-N 2.84Å; K441-L444 PolarHBondContact O-N 2.98Å; K441-R445 WeakPolarHBondContact O-CB 3.45Å; K441-R445 PolarHBondContact O-N 3.33Å
442V97.9Very high97.8Very high4 Ų437.6 Ų37.62%0.02418%0.177CC..Hα-helixtrans-57.2-51174.41650000110.3I99 E102 I120 V438 G439 I440 R445 A446I99-V442 HydrophobicContact CG2-CG1 4.14Å; E102-V442 HydrophobicContact CB-CG1 4.16Å; E102-V442 HydrophobicContact CB-CG2 4.4Å; E102-V442 HydrophobicContact CG-CG2 4.02Å; I120-V442 HydrophobicContact CD1-CG1 4.09Å; I120-V442 HydrophobicContact CG1-CB 4.5Å; I120-V442 HydrophobicContact CG1-CG1 4.27Å; V438-V442 HydrophobicContact CG1-CG2 4.35Å; V438-V442 WeakPolarHBondContact O-CG2 3.31Å; V438-V442 PolarHBondContact O-N 2.83Å; G439-V442 WeakPolarHBondContact O-CB 3.37Å; G439-V442 PolarHBondContact O-N 2.89Å; I440-V442 VanDerWaalsContact C-N 3.29Å; I440-V442 PolarHBondContact O-N 2.89Å; V442-R445 PolarHBondContact O-N 2.95Å; V442-A446 WeakPolarHBondContact O-CB 3.39Å; V442-A446 PolarHBondContact O-N 2.92Å
443A98Very high97.9Very high0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-63.7-48.1179.500000112I120 A123 G439 I440 R445 A446 M447I120-A443 HydrophobicContact CG1-CB 4.48Å; I120-A443 HydrophobicContact CG2-CB 4.37Å; A123-A443 HydrophobicContact CB-CB 3.69Å; G439-A443 PolarHBondContact O-N 2.73Å; G439-A443 VanDerWaalsContact O-N 3.15Å; I440-A443 PolarHBondContact O-N 2.81Å; I440-A443 VanDerWaalsContact O-N 3.14Å; A443-R445 VanDerWaalsContact C-N 3.28Å; A443-R445 PolarHBondContact O-N 3.33Å; A443-A446 PolarHBondContact O-N 3.39Å; A443-A446 VanDerWaalsContact O-N 3.15Å; A443-M447 WeakPolarHBondContact O-CG 3.29Å; A443-M447 PolarHBondContact O-N 3.01Å
444L97.7Very high97.8Very high21 Ų2128.4 Ų28.411%0.1113%0.133CC..Hα-helixtrans-61.8-36.5179-60.6179.2000112A423 L426 I440 K441 M447A423-L444 HydrophobicContact CB-CB 4.38Å; A423-L444 HydrophobicContact CB-CD2 4.26Å; L426-L444 HydrophobicContact CB-CD2 3.71Å; L426-L444 HydrophobicContact CD1-CD2 4.39Å; I440-L444 HydrophobicContact CG2-CD1 3.79Å; I440-L444 HydrophobicContact CG2-CG 4.14Å; I440-L444 VanDerWaalsContact O-CG 3.32Å; I440-L444 WeakPolarHBondContact O-CG 3.36Å; I440-L444 PolarHBondContact O-N 2.9Å; K441-L444 PolarHBondContact O-N 2.98Å; L444-M447 HydrophobicContact CD2-CE 4.3Å; L444-M447 HydrophobicContact CD2-SD 4.17Å
445R96.2Very high97.9Very high120 Ų12023.4 Ų23.445%0.45311%0.109SC..Hα-helixtrans-68-41.5175-179.757.9173.8175.3-1.9111.8K441 V442 A443 M447 E448K441-R445 WeakPolarHBondContact O-CB 3.45Å; K441-R445 PolarHBondContact O-N 3.33Å; V442-R445 PolarHBondContact O-N 2.95Å; A443-R445 VanDerWaalsContact C-N 3.28Å; A443-R445 PolarHBondContact O-N 3.33Å; R445-M447 VanDerWaalsContact C-N 3.27Å; R445-M447 PolarHBondContact O-N 2.86Å; R445-E448 IonicContact CZ-OE2 3.15Å; R445-E448 IonicContact NH1-OE1 3.89Å; R445-E448 IonicContact NH1-OE2 3.87Å; R445-E448 PolarHBondContact NH1-OE2 3.22Å; R445-E448 PolarHBondContact O-N 2.72Å
446A97.7Very high97.8Very high4 Ų425.9 Ų25.93%0.03312%0.122CC..Hα-helixtrans-65.3-29.5178.600000112.8L95 A98 I99 V442 A443 E448 A449L95-A446 WeakPolarHBondContact CD2-O 3.4Å; A98-A446 HydrophobicContact CB-CB 3.73Å; I99-A446 HydrophobicContact CB-CB 4.4Å; I99-A446 HydrophobicContact CD1-CB 4.45Å; I99-A446 HydrophobicContact CG1-CB 3.41Å; I99-A446 VanDerWaalsContact CG1-CB 3.41Å; V442-A446 WeakPolarHBondContact O-CB 3.39Å; V442-A446 PolarHBondContact O-N 2.92Å; A443-A446 PolarHBondContact O-N 3.39Å; A443-A446 VanDerWaalsContact O-N 3.15Å; A446-E448 PolarHBondContact O-N 3.45Å; A446-A449 WeakPolarHBondContact O-CB 3.45Å; A446-A449 PolarHBondContact O-N 3.5Å
447M98.1Very high97.7Very high0 Ų026.6 Ų26.60%013%0.126CC..THydrogen-bonded Turntrans-60.8-22.7174.9-72.2173.8-162.100113.7A127 L419 V422 A423 A443 L444 R445 A449 L504A127-M447 HydrophobicContact CB-CE 3.56Å; A127-M447 HydrophobicContact CB-SD 4.36Å; L419-M447 HydrophobicContact CB-CB 4.08Å; L419-M447 WeakPolarHBondContact CB-O 3.27Å; L419-M447 HydrophobicContact CD2-CG 4.35Å; V422-M447 HydrophobicContact CG1-SD 4.48Å; A423-M447 HydrophobicContact CB-CB 4.01Å; A423-M447 HydrophobicContact CB-SD 3.87Å; A443-M447 WeakPolarHBondContact O-CG 3.29Å; A443-M447 PolarHBondContact O-N 3.01Å; L444-M447 HydrophobicContact CD2-CE 4.3Å; L444-M447 HydrophobicContact CD2-SD 4.17Å; R445-M447 VanDerWaalsContact C-N 3.27Å; R445-M447 PolarHBondContact O-N 2.86Å; M447-A449 VanDerWaalsContact C-N 3.3Å; M447-L504 HydrophobicContact CE-CD1 4.26Å; M447-L504 HydrophobicContact CE-CD2 3.94Å; M447-L504 HydrophobicContact CG-CD1 4.29Å
448E97.5Very high97.5Very high13 Ų1326 Ų266%0.06112%0.124CC..THydrogen-bonded Turntrans-77-14.8172.7-61.7-177.2-170.300112.9I420 R445 A446 R452 K470I420-E448 HydrophobicContact CG1-CG 4.34Å; R445-E448 IonicContact CZ-OE2 3.15Å; R445-E448 IonicContact NH1-OE1 3.89Å; R445-E448 IonicContact NH1-OE2 3.87Å; R445-E448 PolarHBondContact NH1-OE2 3.22Å; R445-E448 PolarHBondContact O-N 2.72Å; A446-E448 PolarHBondContact O-N 3.45Å; E448-R452 VanDerWaalsContact O-CG 3.29Å; E448-R452 WeakPolarHBondContact O-CG 3.32Å; E448-R452 PolarHBondContact O-N 3.02Å; E448-R452 VanDerWaalsContact O-N 3.11Å; E448-R452 IonicContact OE2-CZ 2.62Å; E448-R452 IonicContact OE2-NE 2.89Å; E448-R452 PolarHBondContact OE2-NE 3.47Å; E448-R452 VanDerWaalsContact OE2-NE 3.15Å; E448-R452 IonicContact OE2-NH2 3.45Å; E448-R452 PolarHBondContact OE2-NH2 3.1Å; E448-K470 IonicContact OE1-NZ 3.94Å; E448-K470 PolarHBondContact OE1-NZ 2.73Å
449A98Very high97.3Very high17 Ų1728.1 Ų28.114%0.1415%0.15CC..Hα-helixtrans-64.2-41.4-170.100000114.3V94 A98 A446 M447 R452 Q453V94-A449 HydrophobicContact CG1-CB 3.84Å; A98-A449 HydrophobicContact CB-CB 3.65Å; A446-A449 WeakPolarHBondContact O-CB 3.45Å; A446-A449 PolarHBondContact O-N 3.5Å; M447-A449 VanDerWaalsContact C-N 3.3Å; A449-R452 PolarHBondContact O-N 3.07Å; A449-Q453 WeakPolarHBondContact O-CB 3.45Å; A449-Q453 PolarHBondContact O-N 3.06Å
450P98Very high97.2Very high2 Ų231.8 Ų31.81%0.01317%0.167CC..Hα-helixtrans-59.9-48.5178.4-27.938.5000113T91 L95 L419 R452 Q453 I454T91-P450 HydrophobicContact CG2-CB 4.17Å; T91-P450 HydrophobicContact CG2-CG 3.94Å; L95-P450 HydrophobicContact CD1-CG 4.42Å; L95-P450 HydrophobicContact CD2-CG 3.75Å; L95-P450 HydrophobicContact CG-CG 3.87Å; L419-P450 HydrophobicContact CD1-CG 3.9Å; P450-R452 VanDerWaalsContact C-N 3.34Å; P450-R452 PolarHBondContact O-N 2.81Å; P450-Q453 PolarHBondContact O-N 3.21Å; P450-I454 VanDerWaalsContact O-CG1 3.32Å; P450-I454 WeakPolarHBondContact O-CG1 3.49Å; P450-I454 PolarHBondContact O-N 2.98Å
451L98.1Very high97.1Very high4 Ų436.6 Ų36.62%0.02119%0.19CC..Hα-helixtrans-60.4-45.8176.2178.4133.1000110.8G415 V417 I420 Q453 I454 V455 V465 A466 V469G415-L451 WeakPolarHBondContact O-CB 3.11Å; V417-L451 HydrophobicContact CG2-CD1 4.23Å; I420-L451 HydrophobicContact CD1-CB 3.85Å; I420-L451 HydrophobicContact CD1-CD1 3.71Å; I420-L451 HydrophobicContact CD1-CD2 3.9Å; I420-L451 HydrophobicContact CD1-CG 4.01Å; L451-Q453 VanDerWaalsContact C-N 3.27Å; L451-Q453 PolarHBondContact O-N 3.11Å; L451-I454 PolarHBondContact O-N 3.13Å; L451-V455 HydrophobicContact CD2-CG2 4.31Å; L451-V455 HydrophobicContact CG-CG2 4.39Å; L451-V455 VanDerWaalsContact O-CG2 3.24Å; L451-V455 WeakPolarHBondContact O-CG2 3.33Å; L451-V455 PolarHBondContact O-N 3.31Å; L451-V465 HydrophobicContact CD2-CG1 4.3Å; L451-A466 HydrophobicContact CD2-CB 3.76Å; L451-V469 HydrophobicContact CD1-CB 4.37Å; L451-V469 HydrophobicContact CD1-CG1 4.24Å; L451-V469 HydrophobicContact CD1-CG2 4.03Å
452R98.2Very high97Very high49 Ų4931.9 Ų31.919%0.18517%0.171CC..Hα-helixtrans-59-40.8178.7-73.5170.9175.4-93.3-10.6111.9E448 A449 P450 L456 P462 A466E448-R452 VanDerWaalsContact O-CG 3.29Å; E448-R452 WeakPolarHBondContact O-CG 3.32Å; E448-R452 PolarHBondContact O-N 3.02Å; E448-R452 VanDerWaalsContact O-N 3.11Å; E448-R452 IonicContact OE2-CZ 2.62Å; E448-R452 IonicContact OE2-NE 2.89Å; E448-R452 PolarHBondContact OE2-NE 3.47Å; E448-R452 VanDerWaalsContact OE2-NE 3.15Å; E448-R452 IonicContact OE2-NH2 3.45Å; E448-R452 PolarHBondContact OE2-NH2 3.1Å; A449-R452 PolarHBondContact O-N 3.07Å; P450-R452 VanDerWaalsContact C-N 3.34Å; P450-R452 PolarHBondContact O-N 2.81Å; R452-L456 WeakPolarHBondContact O-CB 3.47Å; R452-L456 PolarHBondContact O-N 3.45Å; R452-P462 HydrophobicContact CB-CB 3.89Å; R452-P462 HydrophobicContact CG-CB 4.01Å; R452-A466 HydrophobicContact CG-CB 4.27Å
453Q98.2Very high97Very high18 Ų1833.9 Ų33.98%0.08419%0.186CC..Hα-helixtrans-70.7-40.1-180-174.961.554.400112.3K28 L31 V94 A449 P450 L451 V455 L456 N457K28-Q453 HydrophobicContact CB-CG 3.96Å; K28-Q453 VanDerWaalsContact CD-OE1 3.31Å; K28-Q453 HydrophobicContact CG-CG 4.35Å; L31-Q453 HydrophobicContact CB-CG 4.42Å; L31-Q453 HydrophobicContact CD2-CB 4.08Å; L31-Q453 HydrophobicContact CD2-CG 4.07Å; V94-Q453 HydrophobicContact CG1-CB 4.22Å; V94-Q453 HydrophobicContact CG2-CG 4.16Å; A449-Q453 WeakPolarHBondContact O-CB 3.45Å; A449-Q453 PolarHBondContact O-N 3.06Å; P450-Q453 PolarHBondContact O-N 3.21Å; L451-Q453 VanDerWaalsContact C-N 3.27Å; L451-Q453 PolarHBondContact O-N 3.11Å; Q453-V455 VanDerWaalsContact C-N 3.34Å; Q453-V455 PolarHBondContact O-N 3.38Å; Q453-L456 PolarHBondContact O-N 2.99Å; Q453-N457 PolarHBondContact NE2-OD1 3.39Å; Q453-N457 PolarHBondContact O-N 3.12Å
454I97.2Very high96.9Very high18 Ų1838 Ų389%0.09221%0.21CC..Hα-helixtrans-58.1-48.7173.5-70.9166.5000110.2L31 P450 L451 L456 N457 C458 A480L31-I454 HydrophobicContact CD2-CG1 3.98Å; L31-I454 HydrophobicContact CG-CD1 4.47Å; L31-I454 HydrophobicContact CG-CG1 3.82Å; P450-I454 VanDerWaalsContact O-CG1 3.32Å; P450-I454 WeakPolarHBondContact O-CG1 3.49Å; P450-I454 PolarHBondContact O-N 2.98Å; L451-I454 PolarHBondContact O-N 3.13Å; I454-L456 PolarHBondContact O-N 2.65Å; I454-N457 PolarHBondContact O-N 3.15Å; I454-C458 PolarHBondContact O-N 3.3Å; I454-C458 PolarHBondContact O-SG 3.43Å; I454-A480 HydrophobicContact CG2-CB 3.42Å; I454-A480 VanDerWaalsContact CG2-CB 3.42Å
455V97.6Very high96.8Very high1 Ų137.2 Ų37.21%0.00621%0.206CC..Hα-helixtrans-63.1-43.3179.5176.50000111L451 Q453 N457 C458 G459 E460 P462 V465 Y478L451-V455 HydrophobicContact CD2-CG2 4.31Å; L451-V455 HydrophobicContact CG-CG2 4.39Å; L451-V455 VanDerWaalsContact O-CG2 3.24Å; L451-V455 WeakPolarHBondContact O-CG2 3.33Å; L451-V455 PolarHBondContact O-N 3.31Å; Q453-V455 VanDerWaalsContact C-N 3.34Å; Q453-V455 PolarHBondContact O-N 3.38Å; V455-N457 PolarHBondContact O-N 3.09Å; V455-C458 WeakPolarHBondContact O-CA 3.37Å; V455-C458 WeakPolarHBondContact O-CB 3.33Å; V455-C458 PolarHBondContact O-N 3.21Å; V455-G459 PolarHBondContact O-N 3.41Å; V455-E460 HydrophobicContact CG1-CB 3.51Å; V455-E460 PolarHBondContact O-N 3.36Å; V455-P462 HydrophobicContact CG1-CB 4.44Å; V455-P462 HydrophobicContact CG1-CG 4.39Å; V455-V465 HydrophobicContact CG1-CB 4.1Å; V455-V465 HydrophobicContact CG1-CG2 3.68Å; V455-V465 HydrophobicContact CG2-CB 3.88Å; V455-V465 HydrophobicContact CG2-CG1 3.72Å; V455-V465 HydrophobicContact CG2-CG2 4.13Å; V455-Y478 HydrophobicContact CG2-CD1 4.08Å; V455-Y478 HydrophobicContact CG2-CE1 4.23Å
456L97Very high96.8Very high94 Ų9431.5 Ų31.549%0.49219%0.185SC..Hα-helixtrans-60.7-43.5176.8-17764.6000112.3R452 Q453 I454 C458 G459 P462R452-L456 WeakPolarHBondContact O-CB 3.47Å; R452-L456 PolarHBondContact O-N 3.45Å; Q453-L456 PolarHBondContact O-N 2.99Å; I454-L456 PolarHBondContact O-N 2.65Å; L456-C458 PolarHBondContact O-N 3Å; L456-G459 PolarHBondContact O-N 2.9Å; L456-P462 HydrophobicContact CB-CG 3.92Å; L456-P462 HydrophobicContact CD1-CG 4.3Å
457N96.3Very high96.7Very high21 Ų2136.1 Ų36.111%0.11221%0.209CC..Hα-helixtrans-63.4-25.6176.6-72.7-11.9000112.1K28 L31 Q453 I454 V455 G459K28-N457 PolarHBondContact O-ND2 3.13Å; L31-N457 PolarHBondContact O-ND2 3.29Å; Q453-N457 PolarHBondContact NE2-OD1 3.39Å; Q453-N457 PolarHBondContact O-N 3.12Å; I454-N457 PolarHBondContact O-N 3.15Å; V455-N457 PolarHBondContact O-N 3.09Å; N457-G459 VanDerWaalsContact C-N 3.31Å
458C94Very high96.6Very high15 Ų1538.7 Ų38.710%0.10123%0.225CC..THydrogen-bonded Turntrans-80.9-7.6175.3-62.10000114.3K34 I454 V455 L456 A480K34-C458 HydrophobicContact CD-CB 3.91Å; K34-C458 HydrophobicContact CG-CB 4.5Å; I454-C458 PolarHBondContact O-N 3.3Å; I454-C458 PolarHBondContact O-SG 3.43Å; V455-C458 WeakPolarHBondContact O-CA 3.37Å; V455-C458 WeakPolarHBondContact O-CB 3.33Å; V455-C458 PolarHBondContact O-N 3.21Å; L456-C458 PolarHBondContact O-N 3Å; C458-A480 PolarHBondContact SG-O 3.46Å
459G94.2Very high96.6Very high67 Ų6738 Ų3869%0.69122%0.222SC*.THydrogen-bonded Turntrans8410.1-177.700000114.5V455 L456 N457V455-G459 PolarHBondContact O-N 3.41Å; L456-G459 PolarHBondContact O-N 2.9Å; N457-G459 VanDerWaalsContact C-N 3.31Å
460E94.6Very high96.4Very high78 Ų7841.9 Ų41.936%0.36424%0.235SC..SBendtrans-97.6163.8-177.9-72.6-58.9145.600111.9V455 P462V455-E460 HydrophobicContact CG1-CB 3.51Å; V455-E460 PolarHBondContact O-N 3.36Å; E460-P462 WeakPolarHBondContact O-CD 3.49Å
461E96.6Very high96.2Very high104 Ų10445.2 Ų45.249%0.48627%0.27SS..  trans-79.7108.4-179177.150.4-130.900111.9S463 V464 V465E461-S463 VanDerWaalsContact C-N 3.26Å; E461-S463 PolarHBondContact O-N 2.96Å; E461-S463 VanDerWaalsContact O-N 3.17Å; E461-S463 WeakPolarHBondContact OE1-CB 3.45Å; E461-S463 PolarHBondContact OE1-N 3.45Å; E461-S463 PolarHBondContact OE1-OG 3.24Å; E461-S463 VanDerWaalsContact OE1-OG 3.08Å; E461-V464 HydrophobicContact CB-CB 4.41Å; E461-V464 HydrophobicContact CB-CG2 4.18Å; E461-V464 HydrophobicContact CG-CB 4.25Å; E461-V464 HydrophobicContact CG-CG2 3.69Å; E461-V464 PolarHBondContact O-N 3.44Å; E461-V465 PolarHBondContact O-N 3.03Å
462P96.6Very high95.9Very high19 Ų1945.7 Ų45.712%0.12328%0.276CS..Hα-helixtrans-61.4-32.9-172.6-25.838.2000113.8R452 V455 L456 E460 A466R452-P462 HydrophobicContact CB-CB 3.89Å; R452-P462 HydrophobicContact CG-CB 4.01Å; V455-P462 HydrophobicContact CG1-CB 4.44Å; V455-P462 HydrophobicContact CG1-CG 4.39Å; L456-P462 HydrophobicContact CB-CG 3.92Å; L456-P462 HydrophobicContact CD1-CG 4.3Å; E460-P462 WeakPolarHBondContact O-CD 3.49Å; P462-A466 WeakPolarHBondContact O-CB 3.4Å; P462-A466 PolarHBondContact O-N 2.9Å
463S96.5Very high95.7Very high47 Ų4750.2 Ų50.233%0.32930%0.303SS..Hα-helixtrans-70.8-35.3-176.2-53.30000112.1E461 N467E461-S463 VanDerWaalsContact C-N 3.26Å; E461-S463 PolarHBondContact O-N 2.96Å; E461-S463 VanDerWaalsContact O-N 3.17Å; E461-S463 WeakPolarHBondContact OE1-CB 3.45Å; E461-S463 PolarHBondContact OE1-N 3.45Å; E461-S463 PolarHBondContact OE1-OG 3.24Å; E461-S463 VanDerWaalsContact OE1-OG 3.08Å; S463-N467 WeakPolarHBondContact O-CB 3.38Å; S463-N467 VanDerWaalsContact O-CG 3.24Å; S463-N467 PolarHBondContact O-N 3.45Å; S463-N467 VanDerWaalsContact O-N 3.16Å; S463-N467 PolarHBondContact O-ND2 2.97Å
464V95.9Very high95.4Very high86 Ų8651.6 Ų51.652%0.52132%0.323SS..Hα-helixtrans-69.1-49.1178.5173.60000110.1E461 N467 T468E461-V464 HydrophobicContact CB-CB 4.41Å; E461-V464 HydrophobicContact CB-CG2 4.18Å; E461-V464 HydrophobicContact CG-CB 4.25Å; E461-V464 HydrophobicContact CG-CG2 3.69Å; E461-V464 PolarHBondContact O-N 3.44Å; V464-N467 PolarHBondContact O-N 3.44Å; V464-T468 WeakPolarHBondContact O-CB 3.23Å; V464-T468 PolarHBondContact O-N 3.44Å; V464-T468 PolarHBondContact O-OG1 2.85Å
465V96.5Very high95.3Very high4 Ų453.4 Ų53.42%0.02433%0.333CS..Hα-helixtrans-65.4-46.8-179.7-177.50000110.9L451 V455 E461 N467 T468 V469 Y478 Y485L451-V465 HydrophobicContact CD2-CG1 4.3Å; V455-V465 HydrophobicContact CG1-CB 4.1Å; V455-V465 HydrophobicContact CG1-CG2 3.68Å; V455-V465 HydrophobicContact CG2-CB 3.88Å; V455-V465 HydrophobicContact CG2-CG1 3.72Å; V455-V465 HydrophobicContact CG2-CG2 4.13Å; E461-V465 PolarHBondContact O-N 3.03Å; V465-N467 VanDerWaalsContact C-N 3.33Å; V465-N467 PolarHBondContact O-N 3.27Å; V465-T468 PolarHBondContact O-N 3.38Å; V465-T468 VanDerWaalsContact O-N 3.14Å; V465-V469 HydrophobicContact CG1-CG2 4.18Å; V465-V469 WeakPolarHBondContact O-CG2 3.4Å; V465-V469 PolarHBondContact O-N 2.88Å; V465-Y478 HydrophobicContact CG1-CD1 3.62Å; V465-Y478 HydrophobicContact CG1-CD2 4.05Å; V465-Y478 HydrophobicContact CG1-CE1 4.25Å; V465-Y478 HydrophobicContact CG1-CG 3.47Å; V465-Y478 VanDerWaalsContact CG1-CG 3.47Å; V465-Y478 HydrophobicContact CG2-CE1 4.33Å; V465-Y485 HydrophobicContact CG1-CE1 4.31Å
466A95.8Very high95.3Very high1 Ų157.3 Ų57.31%0.00835%0.348CS..Hα-helixtrans-59.5-42.5179.700000112.4L451 R452 P462 K470L451-A466 HydrophobicContact CD2-CB 3.76Å; R452-A466 HydrophobicContact CG-CB 4.27Å; P462-A466 WeakPolarHBondContact O-CB 3.4Å; P462-A466 PolarHBondContact O-N 2.9Å; A466-K470 WeakPolarHBondContact O-CB 3.32Å; A466-K470 PolarHBondContact O-N 3.17Å
467N96Very high95.3Very high101 Ų10152.9 Ų52.954%0.5432%0.324SS..Hα-helixtrans-66.2-39.9176.5-76.4-22.8000112.1S463 V464 V465 K470 G471S463-N467 WeakPolarHBondContact O-CB 3.38Å; S463-N467 VanDerWaalsContact O-CG 3.24Å; S463-N467 PolarHBondContact O-N 3.45Å; S463-N467 VanDerWaalsContact O-N 3.16Å; S463-N467 PolarHBondContact O-ND2 2.97Å; V464-N467 PolarHBondContact O-N 3.44Å; V465-N467 VanDerWaalsContact C-N 3.33Å; V465-N467 PolarHBondContact O-N 3.27Å; N467-K470 PolarHBondContact O-N 2.8Å; N467-G471 PolarHBondContact O-N 2.84Å
468T96.4Very high95.4Very high53 Ų5352.7 Ų52.733%0.32532%0.322SS..Hα-helixtrans-65.4-46.6178.5-56.10000111.3V464 V465 K470 G471 G472 Y476 Y485V464-T468 WeakPolarHBondContact O-CB 3.23Å; V464-T468 PolarHBondContact O-N 3.44Å; V464-T468 PolarHBondContact O-OG1 2.85Å; V465-T468 PolarHBondContact O-N 3.38Å; V465-T468 VanDerWaalsContact O-N 3.14Å; T468-K470 PolarHBondContact O-N 2.9Å; T468-G471 PolarHBondContact O-N 2.74Å; T468-G472 PolarHBondContact O-N 2.92Å; T468-Y476 HydrophobicContact CG2-CE1 4.46Å; T468-Y485 HydrophobicContact CG2-CD1 3.93Å; T468-Y485 HydrophobicContact CG2-CE1 3.43Å; T468-Y485 VanDerWaalsContact CG2-CE1 3.43Å; T468-Y485 HydrophobicContact CG2-CE2 4.47Å
469V96.3Very high95.5Very high0 Ų053 Ų530%032%0.323CS..Hα-helixtrans-62-45.2175.8172.30000110.3V417 I420 R421 L451 V465 G471 G472 Y485V417-V469 HydrophobicContact CG1-CG1 4.25Å; V417-V469 HydrophobicContact CG2-CG1 4.09Å; I420-V469 HydrophobicContact CD1-CG1 4.07Å; I420-V469 HydrophobicContact CG2-CG1 4.41Å; R421-V469 VanDerWaalsContact CZ-O 3.24Å; R421-V469 PolarHBondContact NH1-O 3.07Å; R421-V469 PolarHBondContact NH2-O 2.69Å; L451-V469 HydrophobicContact CD1-CB 4.37Å; L451-V469 HydrophobicContact CD1-CG1 4.24Å; L451-V469 HydrophobicContact CD1-CG2 4.03Å; V465-V469 HydrophobicContact CG1-CG2 4.18Å; V465-V469 WeakPolarHBondContact O-CG2 3.4Å; V465-V469 PolarHBondContact O-N 2.88Å; V469-G471 VanDerWaalsContact C-N 3.26Å; V469-G471 PolarHBondContact O-N 3.34Å; V469-G472 PolarHBondContact O-N 2.91Å; V469-Y485 HydrophobicContact CG2-CE1 4.27Å
470K94.5Very high95.5Very high98 Ų9850.1 Ų50.143%0.42629%0.293SS..Hα-helixtrans-59.9-33.5178.2-172.7173.7-172.6166.90113.3I420 E448 A466 N467 T468 G472I420-K470 HydrophobicContact CG2-CB 4.06Å; I420-K470 HydrophobicContact CG2-CG 4.36Å; E448-K470 IonicContact OE1-NZ 3.94Å; E448-K470 PolarHBondContact OE1-NZ 2.73Å; A466-K470 WeakPolarHBondContact O-CB 3.32Å; A466-K470 PolarHBondContact O-N 3.17Å; N467-K470 PolarHBondContact O-N 2.8Å; T468-K470 PolarHBondContact O-N 2.9Å; K470-G472 VanDerWaalsContact C-N 3.3Å
471G92.9Very high95.4Very high71 Ų7148.7 Ų48.773%0.73229%0.294SS*.THydrogen-bonded Turntrans-77-8.7176.200000115.3N467 T468 V469N467-G471 PolarHBondContact O-N 2.84Å; T468-G471 PolarHBondContact O-N 2.74Å; V469-G471 VanDerWaalsContact C-N 3.26Å; V469-G471 PolarHBondContact O-N 3.34Å
472G92.6Very high95.2Very high14 Ų1447.2 Ų47.214%0.14429%0.292CS..SBendtrans-93.9174.2173.800000113.6R421 T468 V469 K470R421-G472 PolarHBondContact NH1-O 3.11Å; R421-G472 PolarHBondContact NH2-O 3.48Å; T468-G472 PolarHBondContact O-N 2.92Å; V469-G472 PolarHBondContact O-N 2.91Å; K470-G472 VanDerWaalsContact C-N 3.3Å
473D93Very high95.1Very high144 Ų14450.6 Ų50.677%0.7731%0.306SS*.  trans-116.4159.6-176.5-65.9-53.8000112.7N475 Y476D473-N475 PolarHBondContact O-N 3.15Å; D473-Y476 VanDerWaalsContact O-CB 3.23Å; D473-Y476 WeakPolarHBondContact O-CB 3.47Å; D473-Y476 PolarHBondContact O-N 3.03Å
474G93.4Very high95.1Very high47 Ų4753.9 Ų53.949%0.48532%0.317SS..THydrogen-bonded Turntrans52.8-123.6174.200000112.9R421 Y476R421-G474 VanDerWaalsContact CD-O 3.3Å; R421-G474 WeakPolarHBondContact CD-O 3.42Å; R421-G474 PolarHBondContact NE-O 3.46Å; G474-Y476 VanDerWaalsContact C-N 3.32Å; G474-Y476 PolarHBondContact O-N 2.94Å
475N95.2Very high95.1Very high57 Ų5753.6 Ų53.631%0.30531%0.307SS..THydrogen-bonded Turntrans-89.68.1-176.8-57.7-30.8000113.8A413 D473 G477 N487 M488 I489A413-N475 HydrophobicContact CB-CB 4.31Å; D473-N475 PolarHBondContact O-N 3.15Å; N475-G477 PolarHBondContact O-N 3.34Å; N475-N487 WeakPolarHBondContact CB-OD1 3.42Å; N475-M488 WeakPolarHBondContact O-CG 3.43Å; N475-M488 PolarHBondContact O-N 3Å; N475-I489 HydrophobicContact CB-CG1 4.19Å; N475-I489 WeakPolarHBondContact ND2-CD1 3.39Å
476Y97.4Very high95.1Very high83 Ų8354 Ų5433%0.32531%0.312SS..EExtended strand (participates in β ladder)trans-61.4127.4177.2-177-99.8000110.3V417 R421 T468 D473 G474 Y485 G486V417-Y476 WeakPolarHBondContact CG1-O 3.29Å; R421-Y476 PolarHBondContact NH2-O 3.27Å; T468-Y476 HydrophobicContact CG2-CE1 4.46Å; D473-Y476 VanDerWaalsContact O-CB 3.23Å; D473-Y476 WeakPolarHBondContact O-CB 3.47Å; D473-Y476 PolarHBondContact O-N 3.03Å; G474-Y476 VanDerWaalsContact C-N 3.32Å; G474-Y476 PolarHBondContact O-N 2.94Å; Y476-Y485 HydrophobicContact CE1-CD1 4.13Å; Y476-Y485 VanDerWaalsContact OH-CB 3.28Å; Y476-Y485 WeakPolarHBondContact OH-CB 3.27Å; Y476-G486 CarbonylContact C-O 3.51Å; Y476-G486 WeakPolarHBondContact CA-O 3.47Å
477G97.4Very high95.1Very high0 Ų056.4 Ų56.40%033%0.325CS..EExtended strand (participates in β ladder)trans-155.7-163.5-173.700000112.4N475 Y485 G486N475-G477 PolarHBondContact O-N 3.34Å; G477-Y485 VanDerWaalsContact O-CA 3.29Å; G477-Y485 WeakPolarHBondContact O-CA 3.38Å; G477-Y485 WeakPolarHBondContact O-CD1 3.46Å; G477-G486 PolarHBondContact N-O 2.72Å; G477-G486 PolarHBondContact O-N 2.91Å; G477-G486 VanDerWaalsContact O-N 3.15Å
478Y97.5Very high95.1Very high17 Ų1751.7 Ų51.77%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-127.6118.6-176.6-179.1-108.4000110.1V455 V465 A480 E483 Y485 M488V455-Y478 HydrophobicContact CG2-CD1 4.08Å; V455-Y478 HydrophobicContact CG2-CE1 4.23Å; V465-Y478 HydrophobicContact CG1-CD1 3.62Å; V465-Y478 HydrophobicContact CG1-CD2 4.05Å; V465-Y478 HydrophobicContact CG1-CE1 4.25Å; V465-Y478 HydrophobicContact CG1-CG 3.47Å; V465-Y478 VanDerWaalsContact CG1-CG 3.47Å; V465-Y478 HydrophobicContact CG2-CE1 4.33Å; Y478-A480 HydrophobicContact CD1-CB 4.23Å; Y478-A480 HydrophobicContact CE1-CB 4.16Å; Y478-A480 PolarHBondContact O-N 3.32Å; Y478-E483 HydrophobicContact CE2-CB 4.48Å; Y478-E483 WeakPolarHBondContact OH-CA 3.42Å; Y478-E483 WeakPolarHBondContact OH-CB 3.43Å; Y478-E483 WeakPolarHBondContact OH-CG 3.45Å; Y478-Y485 AromaticContact CD2-CD1 3.96Å; Y478-Y485 HydrophobicContact CD2-CD1 3.96Å; Y478-Y485 HydrophobicContact CD2-CD2 4.12Å; Y478-Y485 AromaticContact CD2-CE1 3.67Å; Y478-Y485 HydrophobicContact CD2-CE1 3.67Å; Y478-Y485 AromaticContact CD2-CE2 3.82Å; Y478-Y485 HydrophobicContact CD2-CE2 3.82Å; Y478-Y485 HydrophobicContact CD2-CG 4.18Å; Y478-Y485 AromaticContact CD2-CZ 3.59Å; Y478-Y485 HydrophobicContact CE2-CD2 4.5Å; Y478-Y485 HydrophobicContact CE2-CE2 4.01Å; Y478-Y485 HydrophobicContact CG-CE1 4.24Å; Y478-M488 PolarHBondContact N-SD 2.99Å; Y478-M488 VanDerWaalsContact N-SD 3.42Å; Y478-M488 WeakPolarHBondContact O-CE 3.36Å
479N95.7Very high94.8Very high23 Ų2351.1 Ų51.112%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-78.4102.6171.4-176.9-19.2000108.9A481 T482 E483 E484 M491 I493N479-A481 PolarHBondContact O-N 3.38Å; N479-A481 WeakPolarHBondContact OD1-CB 3.3Å; N479-A481 PolarHBondContact OD1-N 2.93Å; N479-T482 WeakPolarHBondContact CB-OG1 3.41Å; N479-T482 PolarHBondContact ND2-OG1 3.46Å; N479-T482 VanDerWaalsContact ND2-OG1 3.13Å; N479-T482 PolarHBondContact O-N 3.38Å; N479-T482 PolarHBondContact OD1-N 2.81Å; N479-E483 VanDerWaalsContact O-CA 3.26Å; N479-E483 WeakPolarHBondContact O-CA 3.46Å; N479-E483 PolarHBondContact O-N 3.24Å; N479-E484 PolarHBondContact N-O 2.83Å; N479-M491 HydrophobicContact CB-SD 4.02Å; N479-I493 HydrophobicContact CB-CD1 3.67Å; N479-I493 VanDerWaalsContact CG-CD1 3.43Å
480A94.3Very high94.6Very high6 Ų656.8 Ų56.85%0.0532%0.324CS..THydrogen-bonded Turntrans-71.4-13.2-177.700000114.3P33 K34 I454 C458 Y478P33-A480 HydrophobicContact CG-CB 3.92Å; K34-A480 WeakPolarHBondContact CE-O 3.46Å; I454-A480 HydrophobicContact CG2-CB 3.42Å; I454-A480 VanDerWaalsContact CG2-CB 3.42Å; C458-A480 PolarHBondContact SG-O 3.46Å; Y478-A480 HydrophobicContact CD1-CB 4.23Å; Y478-A480 HydrophobicContact CE1-CB 4.16Å; Y478-A480 PolarHBondContact O-N 3.32Å
481A92.2Very high94.5Very high48 Ų4855.2 Ų55.240%0.39732%0.319SS..THydrogen-bonded Turntrans-81.4-43.5174.700000111.7P33 N479P33-A481 HydrophobicContact CB-CB 3.94Å; P33-A481 HydrophobicContact CG-CB 4Å; N479-A481 PolarHBondContact O-N 3.38Å; N479-A481 WeakPolarHBondContact OD1-CB 3.3Å; N479-A481 PolarHBondContact OD1-N 2.93Å
482T93.8Very high94.4Very high73 Ų7352.2 Ų52.245%0.44829%0.288SS..THydrogen-bonded Turntrans-100.8-8.8-177.966.10000114.7N479 E484N479-T482 WeakPolarHBondContact CB-OG1 3.41Å; N479-T482 PolarHBondContact ND2-OG1 3.46Å; N479-T482 VanDerWaalsContact ND2-OG1 3.13Å; N479-T482 PolarHBondContact O-N 3.38Å; N479-T482 PolarHBondContact OD1-N 2.81Å; T482-E484 PolarHBondContact O-N 2.87Å
483E93.9Very high94.4Very high89 Ų8952.5 Ų52.542%0.41629%0.286SS..THydrogen-bonded Turntrans65.324.3-178.2-57.5164.8-16600113.8K34 Y478 N479K34-E483 IonicContact NZ-OE1 3.58Å; K34-E483 PolarHBondContact NZ-OE1 3.05Å; Y478-E483 HydrophobicContact CE2-CB 4.48Å; Y478-E483 WeakPolarHBondContact OH-CA 3.42Å; Y478-E483 WeakPolarHBondContact OH-CB 3.43Å; Y478-E483 WeakPolarHBondContact OH-CG 3.45Å; N479-E483 VanDerWaalsContact O-CA 3.26Å; N479-E483 WeakPolarHBondContact O-CA 3.46Å; N479-E483 PolarHBondContact O-N 3.24Å
484E95.7Very high94.5Very high117 Ų11745.8 Ų45.855%0.54725%0.25SS..EExtended strand (participates in β ladder)trans-105.4148.2-179.3-65.3-179.2159.100112.4N479 T482N479-E484 PolarHBondContact N-O 2.83Å; T482-E484 PolarHBondContact O-N 2.87Å
485Y97.2Very high94.6Very high79 Ų7945.3 Ų45.331%0.3124%0.236SC..EExtended strand (participates in β ladder)trans-95.7142.7171.7-66.3-92000111.1V465 T468 V469 Y476 G477 Y478V465-Y485 HydrophobicContact CG1-CE1 4.31Å; T468-Y485 HydrophobicContact CG2-CD1 3.93Å; T468-Y485 HydrophobicContact CG2-CE1 3.43Å; T468-Y485 VanDerWaalsContact CG2-CE1 3.43Å; T468-Y485 HydrophobicContact CG2-CE2 4.47Å; V469-Y485 HydrophobicContact CG2-CE1 4.27Å; Y476-Y485 HydrophobicContact CE1-CD1 4.13Å; Y476-Y485 VanDerWaalsContact OH-CB 3.28Å; Y476-Y485 WeakPolarHBondContact OH-CB 3.27Å; G477-Y485 VanDerWaalsContact O-CA 3.29Å; G477-Y485 WeakPolarHBondContact O-CA 3.38Å; G477-Y485 WeakPolarHBondContact O-CD1 3.46Å; Y478-Y485 AromaticContact CD2-CD1 3.96Å; Y478-Y485 HydrophobicContact CD2-CD1 3.96Å; Y478-Y485 HydrophobicContact CD2-CD2 4.12Å; Y478-Y485 AromaticContact CD2-CE1 3.67Å; Y478-Y485 HydrophobicContact CD2-CE1 3.67Å; Y478-Y485 AromaticContact CD2-CE2 3.82Å; Y478-Y485 HydrophobicContact CD2-CE2 3.82Å; Y478-Y485 HydrophobicContact CD2-CG 4.18Å; Y478-Y485 AromaticContact CD2-CZ 3.59Å; Y478-Y485 HydrophobicContact CE2-CD2 4.5Å; Y478-Y485 HydrophobicContact CE2-CE2 4.01Å; Y478-Y485 HydrophobicContact CG-CE1 4.24Å
486G96.4Very high94.6Very high13 Ų1342.7 Ų42.713%0.13422%0.222CC..EExtended strand (participates in β ladder)trans171.4-164175.400000113.1Y476 G477 M488Y476-G486 CarbonylContact C-O 3.51Å; Y476-G486 WeakPolarHBondContact CA-O 3.47Å; G477-G486 PolarHBondContact N-O 2.72Å; G477-G486 PolarHBondContact O-N 2.91Å; G477-G486 VanDerWaalsContact O-N 3.15Å; G486-M488 PolarHBondContact O-N 3.41Å
487N95.9Very high94.6Very high52 Ų5238.7 Ų38.728%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-76.5113.7178.9-179.2-14.3000110.1N475 I489 D490 M491N475-N487 WeakPolarHBondContact CB-OD1 3.42Å; N487-I489 VanDerWaalsContact C-N 3.26Å; N487-I489 PolarHBondContact O-N 3.28Å; N487-I489 WeakPolarHBondContact OD1-CB 3.45Å; N487-I489 PolarHBondContact OD1-N 2.85Å; N487-D490 HydrophobicContact CB-CB 3.99Å; N487-D490 VanDerWaalsContact CB-OD2 3.3Å; N487-D490 WeakPolarHBondContact CB-OD2 3.48Å; N487-D490 VanDerWaalsContact CG-CG 3.45Å; N487-D490 VanDerWaalsContact CG-OD2 3.22Å; N487-D490 PolarHBondContact ND2-OD1 3.32Å; N487-D490 PolarHBondContact ND2-OD2 3.32Å; N487-D490 PolarHBondContact O-N 2.63Å; N487-D490 PolarHBondContact OD1-N 2.84Å; N487-M491 WeakPolarHBondContact O-CB 3.47Å; N487-M491 VanDerWaalsContact O-CG 3.29Å; N487-M491 WeakPolarHBondContact O-CG 3.41Å; N487-M491 PolarHBondContact O-N 3.49Å
488M95.1Very high94.5Very high1 Ų140.6 Ų40.61%0.00522%0.215CC..THydrogen-bonded Turntrans-60.5-34.6-177.6-60.8-57.7-8000112.8A413 V417 N475 Y478 G486 M491 G492 I493A413-M488 HydrophobicContact CB-CB 3.98Å; A413-M488 HydrophobicContact CB-CG 4.37Å; V417-M488 HydrophobicContact CB-CG 4.4Å; V417-M488 HydrophobicContact CG2-CE 4.24Å; V417-M488 HydrophobicContact CG2-CG 3.95Å; V417-M488 HydrophobicContact CG2-SD 4.41Å; N475-M488 WeakPolarHBondContact O-CG 3.43Å; N475-M488 PolarHBondContact O-N 3Å; Y478-M488 PolarHBondContact N-SD 2.99Å; Y478-M488 VanDerWaalsContact N-SD 3.42Å; Y478-M488 WeakPolarHBondContact O-CE 3.36Å; G486-M488 PolarHBondContact O-N 3.41Å; M488-M491 PolarHBondContact O-N 3.18Å; M488-G492 PolarHBondContact O-N 3.46Å; M488-G492 VanDerWaalsContact O-N 3.14Å; M488-I493 HydrophobicContact CB-CB 4.48Å; M488-I493 HydrophobicContact CE-CB 3.68Å; M488-I493 HydrophobicContact CE-CD1 3.78Å; M488-I493 HydrophobicContact CE-CG1 4.35Å; M488-I493 HydrophobicContact CE-CG2 3.42Å; M488-I493 VanDerWaalsContact CE-CG2 3.42Å; M488-I493 PolarHBondContact O-N 3.29Å; M488-I493 HydrophobicContact SD-CD1 4.34Å
489I91.4Very high94.4Very high41 Ų4140.2 Ų40.221%0.2122%0.215CC..THydrogen-bonded Turntrans-68.7-45.4177.8-59.1-164.7000110.5V136 N475 N487 M491 G492 L494V136-I489 HydrophobicContact CG2-CD1 4.49Å; N475-I489 HydrophobicContact CB-CG1 4.19Å; N475-I489 WeakPolarHBondContact ND2-CD1 3.39Å; N487-I489 VanDerWaalsContact C-N 3.26Å; N487-I489 PolarHBondContact O-N 3.28Å; N487-I489 WeakPolarHBondContact OD1-CB 3.45Å; N487-I489 PolarHBondContact OD1-N 2.85Å; I489-M491 VanDerWaalsContact C-N 3.25Å; I489-M491 PolarHBondContact O-N 3.46Å; I489-G492 PolarHBondContact O-N 3.46Å; I489-L494 HydrophobicContact CB-CD2 3.99Å; I489-L494 HydrophobicContact CD1-CD2 4.37Å; I489-L494 HydrophobicContact CG1-CD2 3.66Å; I489-L494 HydrophobicContact CG2-CD2 4.09Å
490D91.2Very high94.5Very high120 Ų12039.4 Ų39.464%0.64221%0.211SC*.THydrogen-bonded Turntrans-65.5-34.1179.5-61.6-18.9000111.2N487 G492N487-D490 HydrophobicContact CB-CB 3.99Å; N487-D490 VanDerWaalsContact CB-OD2 3.3Å; N487-D490 WeakPolarHBondContact CB-OD2 3.48Å; N487-D490 VanDerWaalsContact CG-CG 3.45Å; N487-D490 VanDerWaalsContact CG-OD2 3.22Å; N487-D490 PolarHBondContact ND2-OD1 3.32Å; N487-D490 PolarHBondContact ND2-OD2 3.32Å; N487-D490 PolarHBondContact O-N 2.63Å; N487-D490 PolarHBondContact OD1-N 2.84Å; D490-G492 PolarHBondContact O-N 2.97Å
491M92.5Very high94.7Very high65 Ų6541.1 Ų41.132%0.3222%0.216SC..THydrogen-bonded Turntrans-73.7-8.5173.3-68.8172.8168.200113.5N479 N487 M488 I489 I493N479-M491 HydrophobicContact CB-SD 4.02Å; N487-M491 WeakPolarHBondContact O-CB 3.47Å; N487-M491 VanDerWaalsContact O-CG 3.29Å; N487-M491 WeakPolarHBondContact O-CG 3.41Å; N487-M491 PolarHBondContact O-N 3.49Å; M488-M491 PolarHBondContact O-N 3.18Å; I489-M491 VanDerWaalsContact C-N 3.25Å; I489-M491 PolarHBondContact O-N 3.46Å; M491-I493 VanDerWaalsContact C-N 3.32Å; M491-I493 HydrophobicContact CB-CD1 4.28Å; M491-I493 HydrophobicContact CB-CG1 4.28Å
492G90.6Very high94.9Very high7 Ų739 Ų397%0.07220%0.198CC..THydrogen-bonded Turntrans73.818.6-177.800000115Q146 I150 M488 I489 D490 L494Q146-G492 VanDerWaalsContact CD-CA 3.42Å; I150-G492 WeakPolarHBondContact CG1-O 3.27Å; M488-G492 PolarHBondContact O-N 3.46Å; M488-G492 VanDerWaalsContact O-N 3.14Å; I489-G492 PolarHBondContact O-N 3.46Å; D490-G492 PolarHBondContact O-N 2.97Å; G492-L494 PolarHBondContact O-N 2.91Å
493I93.7Very high95Very high20 Ų2035.5 Ų35.510%0.10318%0.176CC..  trans-95.292.8176.2-54171.6000108.1I150 G414 N479 M488 M491I150-I493 HydrophobicContact CD1-CG1 4.34Å; I150-I493 HydrophobicContact CD1-CG2 4.48Å; G414-I493 PolarHBondContact N-O 3.47Å; N479-I493 HydrophobicContact CB-CD1 3.67Å; N479-I493 VanDerWaalsContact CG-CD1 3.43Å; M488-I493 HydrophobicContact CB-CB 4.48Å; M488-I493 HydrophobicContact CE-CB 3.68Å; M488-I493 HydrophobicContact CE-CD1 3.78Å; M488-I493 HydrophobicContact CE-CG1 4.35Å; M488-I493 HydrophobicContact CE-CG2 3.42Å; M488-I493 VanDerWaalsContact CE-CG2 3.42Å; M488-I493 PolarHBondContact O-N 3.29Å; M488-I493 HydrophobicContact SD-CD1 4.34Å; M491-I493 VanDerWaalsContact C-N 3.32Å; M491-I493 HydrophobicContact CB-CD1 4.28Å; M491-I493 HydrophobicContact CB-CG1 4.28Å
494L93.5Very high95.3Very high4 Ų431.2 Ų31.22%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-123.4136.4-172-61173.4000109.4Q146 V147 V411 I489 G492Q146-L494 HydrophobicContact CB-CD1 4.14Å; V147-L494 HydrophobicContact CG2-CB 4.28Å; V411-L494 HydrophobicContact CB-CB 4.27Å; V411-L494 HydrophobicContact CG1-CB 4.42Å; V411-L494 HydrophobicContact CG2-CD1 4.28Å; V411-L494 HydrophobicContact CG2-CD2 4.28Å; I489-L494 HydrophobicContact CB-CD2 3.99Å; I489-L494 HydrophobicContact CD1-CD2 4.37Å; I489-L494 HydrophobicContact CG1-CD2 3.66Å; I489-L494 HydrophobicContact CG2-CD2 4.09Å; G492-L494 PolarHBondContact O-N 2.91Å
495D95.3Very high95.4Very high36 Ų3628.9 Ų28.919%0.19315%0.145CC..EExtended strand (participates in β ladder)trans-109.1136.3169.1-66.4-13.4000108.5V411 V412 G414 G415 T497 T500V411-D495 WeakPolarHBondContact CA-O 3.43Å; V412-D495 HydrophobicContact CG2-CB 4.42Å; V412-D495 WeakPolarHBondContact CG2-O 3.2Å; V412-D495 PolarHBondContact N-O 2.82Å; V412-D495 PolarHBondContact O-N 2.93Å; G414-D495 WeakPolarHBondContact CA-OD1 3.3Å; G414-D495 VanDerWaalsContact CA-OD2 3.25Å; G414-D495 WeakPolarHBondContact CA-OD2 3.1Å; G415-D495 PolarHBondContact N-OD2 3.31Å; D495-T497 PolarHBondContact O-N 2.9Å; D495-T500 WeakPolarHBondContact CB-OG1 3.38Å
496P96Very high95.4Very high2 Ų228.9 Ų28.91%0.01315%0.145CC..EExtended strand (participates in β ladder)trans-59.7129.9171.4-2131.2000110.9V147 A402 A405 A406 K498 V499 T500V147-P496 HydrophobicContact CG1-CG 3.84Å; A402-P496 HydrophobicContact CB-CG 4.07Å; A402-P496 WeakPolarHBondContact O-CG 3.37Å; A405-P496 HydrophobicContact CB-CB 4.12Å; A406-P496 HydrophobicContact CB-CB 3.94Å; A406-P496 HydrophobicContact CB-CG 4.09Å; P496-K498 PolarHBondContact O-N 2.88Å; P496-V499 HydrophobicContact CB-CB 4.02Å; P496-V499 HydrophobicContact CB-CG2 3.71Å; P496-V499 HydrophobicContact CG-CB 4.32Å; P496-V499 HydrophobicContact CG-CG2 3.87Å; P496-V499 WeakPolarHBondContact O-CB 3.47Å; P496-V499 PolarHBondContact O-N 2.72Å; P496-T500 PolarHBondContact O-N 2.94Å; P496-T500 PolarHBondContact O-OG1 3.23Å
497T97Very high95.4Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-57.4-40.4-177.6-60.80000111.9S135 G410 V412 D495 V499 T500 R501S135-T497 WeakPolarHBondContact CB-OG1 3.39Å; S135-T497 PolarHBondContact OG-OG1 2.97Å; G410-T497 PolarHBondContact O-N 3.41Å; G410-T497 PolarHBondContact O-OG1 3.5Å; V412-T497 WeakPolarHBondContact CG1-OG1 3.48Å; D495-T497 PolarHBondContact O-N 2.9Å; T497-V499 VanDerWaalsContact C-N 3.33Å; T497-V499 PolarHBondContact O-N 2.98Å; T497-T500 PolarHBondContact O-N 2.92Å; T497-R501 WeakPolarHBondContact O-CB 3.44Å; T497-R501 WeakPolarHBondContact O-CG 3.28Å; T497-R501 PolarHBondContact O-N 3.44Å
498K96.2Very high95.5Very high39 Ų3925.9 Ų25.917%0.1713%0.127CC..Hα-helixtrans-60.3-40.7176.5-175.5178.6-173.1-169.70112.1A84 A85 A405 E408 E409 P496 R501 S502A84-K498 WeakPolarHBondContact O-CE 3.25Å; A84-K498 PolarHBondContact O-NZ 3.31Å; A85-K498 HydrophobicContact CB-CG 4.33Å; A405-K498 HydrophobicContact CB-CB 4.07Å; A405-K498 HydrophobicContact CB-CD 3.96Å; A405-K498 HydrophobicContact CB-CG 4.39Å; E408-K498 IonicContact OE1-NZ 2.84Å; E408-K498 IonicContact OE2-NZ 3.23Å; E408-K498 PolarHBondContact OE2-NZ 2.8Å; E409-K498 HydrophobicContact CB-CB 4.08Å; E409-K498 HydrophobicContact CG-CB 4.1Å; P496-K498 PolarHBondContact O-N 2.88Å; K498-R501 WeakPolarHBondContact O-CG 3.16Å; K498-S502 WeakPolarHBondContact O-CB 3.28Å; K498-S502 PolarHBondContact O-N 2.89Å; K498-S502 PolarHBondContact O-OG 3.44Å
499V95.9Very high95.6Very high10 Ų1028.8 Ų28.86%0.06115%0.147CC..Hα-helixtrans-67-50.6177.9173.60000110.4A85 D87 G88 A405 P496 T497 R501 S502 A503A85-V499 HydrophobicContact CB-CB 4.35Å; A85-V499 HydrophobicContact CB-CG2 3.65Å; D87-V499 HydrophobicContact CB-CG1 4.27Å; D87-V499 HydrophobicContact CB-CG2 3.99Å; G88-V499 VanDerWaalsContact CA-CG1 3.49Å; A405-V499 HydrophobicContact CB-CG2 4.11Å; P496-V499 HydrophobicContact CB-CB 4.02Å; P496-V499 HydrophobicContact CB-CG2 3.71Å; P496-V499 HydrophobicContact CG-CB 4.32Å; P496-V499 HydrophobicContact CG-CG2 3.87Å; P496-V499 WeakPolarHBondContact O-CB 3.47Å; P496-V499 PolarHBondContact O-N 2.72Å; T497-V499 VanDerWaalsContact C-N 3.33Å; T497-V499 PolarHBondContact O-N 2.98Å; V499-R501 PolarHBondContact O-N 2.94Å; V499-S502 PolarHBondContact O-N 3.17Å; V499-S502 PolarHBondContact O-OG 3.33Å; V499-S502 VanDerWaalsContact O-OG 3.06Å; V499-A503 VanDerWaalsContact O-CB 3.26Å; V499-A503 WeakPolarHBondContact O-CB 3.44Å; V499-A503 PolarHBondContact O-N 3.29Å
500T97.3Very high95.8Very high6 Ų627.7 Ų27.74%0.03714%0.142CC..Hα-helixtrans-62.2-44.9-179.2-50.60000111.9L131 L419 D495 P496 T497 L504L131-T500 HydrophobicContact CD1-CG2 4.12Å; L131-T500 HydrophobicContact CD2-CG2 4.15Å; L419-T500 HydrophobicContact CD1-CG2 4.19Å; L419-T500 HydrophobicContact CD2-CG2 3.87Å; L419-T500 HydrophobicContact CG-CG2 3.8Å; D495-T500 WeakPolarHBondContact CB-OG1 3.38Å; P496-T500 PolarHBondContact O-N 2.94Å; P496-T500 PolarHBondContact O-OG1 3.23Å; T497-T500 PolarHBondContact O-N 2.92Å; T500-L504 PolarHBondContact O-N 3.17Å
501R97.2Very high96.1Very high42 Ų4222 Ų2216%0.15811%0.112CC..Hα-helixtrans-69.8-40.7-179.582.3175.2175.966.24111.8V128 L131 E409 T497 K498 V499 L504 Q505V128-R501 HydrophobicContact CG1-CB 4.44Å; V128-R501 HydrophobicContact CG2-CB 4.32Å; L131-R501 HydrophobicContact CD1-CB 3.9Å; E409-R501 IonicContact OE1-CZ 3.56Å; E409-R501 IonicContact OE1-NE 3.94Å; E409-R501 PolarHBondContact OE1-NE 2.97Å; E409-R501 IonicContact OE1-NH2 3.31Å; E409-R501 PolarHBondContact OE1-NH2 3.24Å; E409-R501 WeakPolarHBondContact OE2-CD 3.36Å; E409-R501 IonicContact OE2-CZ 2.7Å; E409-R501 IonicContact OE2-NE 2.8Å; E409-R501 PolarHBondContact OE2-NE 2.64Å; E409-R501 IonicContact OE2-NH2 2.66Å; T497-R501 WeakPolarHBondContact O-CB 3.44Å; T497-R501 WeakPolarHBondContact O-CG 3.28Å; T497-R501 PolarHBondContact O-N 3.44Å; K498-R501 WeakPolarHBondContact O-CG 3.16Å; V499-R501 PolarHBondContact O-N 2.94Å; R501-L504 PolarHBondContact O-N 2.72Å; R501-Q505 WeakPolarHBondContact O-CB 3.3Å; R501-Q505 VanDerWaalsContact O-CG 3.24Å; R501-Q505 WeakPolarHBondContact O-CG 3.32Å; R501-Q505 PolarHBondContact O-N 3.18Å
502S96.7Very high96.2Very high2 Ų218.9 Ų18.91%0.01410%0.097CC..Hα-helixtrans-67.2-43.6-177.268.20000110.1K498 V499 L504 Q505 Y506K498-S502 WeakPolarHBondContact O-CB 3.28Å; K498-S502 PolarHBondContact O-N 2.89Å; K498-S502 PolarHBondContact O-OG 3.44Å; V499-S502 PolarHBondContact O-N 3.17Å; V499-S502 PolarHBondContact O-OG 3.33Å; V499-S502 VanDerWaalsContact O-OG 3.06Å; S502-L504 VanDerWaalsContact C-N 3.32Å; S502-L504 PolarHBondContact O-N 2.98Å; S502-Q505 PolarHBondContact O-N 3.19Å; S502-Y506 WeakPolarHBondContact O-CD2 3.46Å; S502-Y506 PolarHBondContact O-N 3.23Å
503A97.4Very high96.4Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-54-48.3174.200000111.5T91 A92 L95 V499 A507T91-A503 HydrophobicContact CG2-CB 4.3Å; A92-A503 HydrophobicContact CB-CB 3.71Å; L95-A503 HydrophobicContact CD1-CB 4.3Å; V499-A503 VanDerWaalsContact O-CB 3.26Å; V499-A503 WeakPolarHBondContact O-CB 3.44Å; V499-A503 PolarHBondContact O-N 3.29Å; A503-A507 WeakPolarHBondContact O-CB 3.25Å; A503-A507 PolarHBondContact O-N 3.32Å
504L98.2Very high96.4Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-64.1-45177179.264.9000112.7L95 V124 A127 L419 M447 T500 R501 S502 A508L95-L504 HydrophobicContact CD1-CB 4.22Å; L95-L504 HydrophobicContact CD1-CD1 4.41Å; L95-L504 HydrophobicContact CD2-CD1 4.44Å; V124-L504 HydrophobicContact CG1-CD2 4.48Å; V124-L504 HydrophobicContact CG1-CG 4.22Å; V124-L504 HydrophobicContact CG2-CD1 4.33Å; V124-L504 HydrophobicContact CG2-CG 4.29Å; A127-L504 HydrophobicContact CB-CD2 3.78Å; L419-L504 HydrophobicContact CD2-CD2 4.18Å; M447-L504 HydrophobicContact CE-CD1 4.26Å; M447-L504 HydrophobicContact CE-CD2 3.94Å; M447-L504 HydrophobicContact CG-CD1 4.29Å; T500-L504 PolarHBondContact O-N 3.17Å; R501-L504 PolarHBondContact O-N 2.72Å; S502-L504 VanDerWaalsContact C-N 3.32Å; S502-L504 PolarHBondContact O-N 2.98Å; L504-A508 VanDerWaalsContact O-CB 3.27Å; L504-A508 WeakPolarHBondContact O-CB 3.47Å; L504-A508 PolarHBondContact O-N 3.45Å
505Q97.9Very high96.4Very high67 Ų6721.7 Ų21.731%0.31311%0.109SC..Hα-helixtrans-63.4-47.2-178.5-74.1177.3-64.200112.1V124 V128 R501 S502 S509V124-Q505 HydrophobicContact CG1-CG 4.07Å; V128-Q505 HydrophobicContact CG2-CG 3.52Å; R501-Q505 WeakPolarHBondContact O-CB 3.3Å; R501-Q505 VanDerWaalsContact O-CG 3.24Å; R501-Q505 WeakPolarHBondContact O-CG 3.32Å; R501-Q505 PolarHBondContact O-N 3.18Å; S502-Q505 PolarHBondContact O-N 3.19Å; Q505-S509 WeakPolarHBondContact O-CB 3.49Å; Q505-S509 PolarHBondContact O-N 2.85Å
506Y97.4Very high96.4Very high79 Ų7921.6 Ų21.631%0.3111%0.11SC..Hα-helixtrans-70.9-39.6179.3-67.3-59.1000112.2K80 A84 S502 A508 S509 V510K80-Y506 HydrophobicContact CB-CD1 3.7Å; K80-Y506 HydrophobicContact CB-CD2 4.09Å; K80-Y506 HydrophobicContact CB-CE1 3.92Å; K80-Y506 HydrophobicContact CB-CE2 4.31Å; K80-Y506 HydrophobicContact CB-CG 3.8Å; K80-Y506 HydrophobicContact CG-CD1 4.4Å; K80-Y506 WeakPolarHBondContact O-CE2 3.26Å; A84-Y506 HydrophobicContact CB-CE2 3.47Å; A84-Y506 VanDerWaalsContact CB-CE2 3.47Å; S502-Y506 WeakPolarHBondContact O-CD2 3.46Å; S502-Y506 PolarHBondContact O-N 3.23Å; Y506-A508 VanDerWaalsContact C-N 3.35Å; Y506-A508 PolarHBondContact O-N 3.49Å; Y506-S509 PolarHBondContact O-N 3.3Å; Y506-V510 PolarHBondContact O-N 2.8Å; Y506-V510 VanDerWaalsContact O-N 3.07Å
507A97.9Very high96.2Very high0 Ų023.3 Ų23.30%012%0.121CC..Hα-helixtrans-56.3-49.8173.400000111.4V77 A92 L95 A96 I99 A503 A511V77-A507 HydrophobicContact CG1-CB 4.32Å; A92-A507 WeakPolarHBondContact O-CB 3.45Å; L95-A507 HydrophobicContact CB-CB 3.59Å; A96-A507 HydrophobicContact CB-CB 3.97Å; I99-A507 HydrophobicContact CD1-CB 4.41Å; A503-A507 WeakPolarHBondContact O-CB 3.25Å; A503-A507 PolarHBondContact O-N 3.32Å; A507-A511 WeakPolarHBondContact O-CB 3.33Å; A507-A511 PolarHBondContact O-N 2.87Å
508A98Very high96Very high2 Ų227.5 Ų27.52%0.01714%0.14CC..Hα-helixtrans-66.2-39.1179.200000113.1I99 I120 V124 L504 Y506 G512I99-A508 HydrophobicContact CD1-CB 4.04Å; I120-A508 HydrophobicContact CG2-CB 3.96Å; V124-A508 HydrophobicContact CB-CB 4.31Å; V124-A508 HydrophobicContact CG1-CB 4.23Å; V124-A508 HydrophobicContact CG2-CB 3.45Å; V124-A508 VanDerWaalsContact CG2-CB 3.45Å; L504-A508 VanDerWaalsContact O-CB 3.27Å; L504-A508 WeakPolarHBondContact O-CB 3.47Å; L504-A508 PolarHBondContact O-N 3.45Å; Y506-A508 VanDerWaalsContact C-N 3.35Å; Y506-A508 PolarHBondContact O-N 3.49Å; A508-G512 PolarHBondContact O-N 3.38Å
509S96.9Very high95.8Very high62 Ų6228.2 Ų28.243%0.43415%0.15SC..Hα-helixtrans-60.2-52.2178.9-175.60000111.5Q505 Y506 G512 L513Q505-S509 WeakPolarHBondContact O-CB 3.49Å; Q505-S509 PolarHBondContact O-N 2.85Å; Y506-S509 PolarHBondContact O-N 3.3Å; S509-G512 PolarHBondContact O-N 3.25Å; S509-L513 WeakPolarHBondContact O-CG 3.45Å; S509-L513 PolarHBondContact O-N 3.42Å
510V95.7Very high95.7Very high19 Ų1928.3 Ų28.312%0.11515%0.15CC..Hα-helixtrans-68.2-45178.71730000110.9M73 V77 Y506 G512 L513 M514M73-V510 HydrophobicContact CB-CG1 4.02Å; M73-V510 HydrophobicContact CE-CG1 4.23Å; M73-V510 WeakPolarHBondContact O-CG1 3.44Å; V77-V510 HydrophobicContact CG2-CB 3.39Å; V77-V510 HydrophobicContact CG2-CG1 3.68Å; V77-V510 HydrophobicContact CG2-CG2 3.43Å; V77-V510 VanDerWaalsContact CG2-CG2 3.43Å; Y506-V510 PolarHBondContact O-N 2.8Å; Y506-V510 VanDerWaalsContact O-N 3.07Å; V510-G512 VanDerWaalsContact C-N 3.28Å; V510-G512 PolarHBondContact O-N 3.49Å; V510-L513 WeakPolarHBondContact O-CB 3.49Å; V510-L513 PolarHBondContact O-N 3.42Å; V510-L513 VanDerWaalsContact O-N 3.13Å; V510-M514 HydrophobicContact CG1-CG 4.3Å; V510-M514 HydrophobicContact CG1-SD 3.84Å; V510-M514 WeakPolarHBondContact O-CG 3.38Å; V510-M514 PolarHBondContact O-N 3.18Å
511A96.4Very high95.6Very high0 Ų031.8 Ų31.80%017%0.171CC..Hα-helixtrans-58.9-41.1178.400000112I99 I100 A507 L513 M514 I515I99-A511 HydrophobicContact CB-CB 3.72Å; I99-A511 HydrophobicContact CG2-CB 3.43Å; I99-A511 VanDerWaalsContact CG2-CB 3.43Å; I100-A511 HydrophobicContact CD1-CB 4.33Å; I100-A511 HydrophobicContact CG1-CB 3.55Å; A507-A511 WeakPolarHBondContact O-CB 3.33Å; A507-A511 PolarHBondContact O-N 2.87Å; A511-L513 PolarHBondContact O-N 3.29Å; A511-M514 PolarHBondContact O-N 3.34Å; A511-I515 WeakPolarHBondContact O-CB 3.29Å; A511-I515 WeakPolarHBondContact O-CD1 3.03Å; A511-I515 WeakPolarHBondContact O-CG1 3.38Å; A511-I515 PolarHBondContact O-N 3.27Å
512G95.7Very high95.3Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-58.6-44.6175.500000112.4A508 S509 V510 T516A508-G512 PolarHBondContact O-N 3.38Å; S509-G512 PolarHBondContact O-N 3.25Å; V510-G512 VanDerWaalsContact C-N 3.28Å; V510-G512 PolarHBondContact O-N 3.49Å; G512-T516 WeakPolarHBondContact O-CG2 3.4Å; G512-T516 PolarHBondContact O-N 2.77Å; G512-T516 VanDerWaalsContact O-N 3.17Å; G512-T516 PolarHBondContact O-OG1 3.09Å
513L93.5Very high95.1Very high89 Ų8933.5 Ų33.547%0.46618%0.184SC..Hα-helixtrans-62-44.2175.3-67.4173.3000111.7M73 S509 V510 A511 T516 T517M73-L513 HydrophobicContact CE-CB 4.39Å; S509-L513 WeakPolarHBondContact O-CG 3.45Å; S509-L513 PolarHBondContact O-N 3.42Å; V510-L513 WeakPolarHBondContact O-CB 3.49Å; V510-L513 PolarHBondContact O-N 3.42Å; V510-L513 VanDerWaalsContact O-N 3.13Å; A511-L513 PolarHBondContact O-N 3.29Å; L513-T516 PolarHBondContact O-N 3.47Å; L513-T516 PolarHBondContact O-OG1 3.25Å; L513-T517 PolarHBondContact O-N 3.39Å; L513-T517 PolarHBondContact O-OG1 3.05Å
514M93.9Very high94.5Very high0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-66.7-42.8-179.4-65.4-17980.400112.1M16 V20 M73 I100 V510 A511 T516 T517M16-M514 HydrophobicContact CE-CB 3.93Å; M16-M514 HydrophobicContact CE-CE 4.19Å; M16-M514 WeakPolarHBondContact CE-O 3.44Å; M16-M514 HydrophobicContact CG-CE 3.44Å; M16-M514 VanDerWaalsContact CG-CE 3.44Å; M16-M514 HydrophobicContact SD-CB 4.29Å; M16-M514 HydrophobicContact SD-CE 3.59Å; M16-M514 VanDerWaalsContact SD-CE 3.59Å; M16-M514 HydrophobicContact SD-CG 4.29Å; V20-M514 HydrophobicContact CG2-CE 3.23Å; V20-M514 HydrophobicContact CG2-SD 4.24Å; M73-M514 HydrophobicContact CB-CE 4.01Å; M73-M514 HydrophobicContact CB-CG 4.38Å; M73-M514 HydrophobicContact CB-SD 3.69Å; M73-M514 HydrophobicContact CE-CG 4.04Å; M73-M514 HydrophobicContact CG-CE 4.48Å; M73-M514 HydrophobicContact CG-SD 4.4Å; I100-M514 HydrophobicContact CD1-CE 4.18Å; I100-M514 HydrophobicContact CD1-SD 3.42Å; I100-M514 WeakPolarHBondContact CD1-SD 3.29Å; I100-M514 HydrophobicContact CG1-CB 4.46Å; I100-M514 HydrophobicContact CG1-SD 4.19Å; V510-M514 HydrophobicContact CG1-CG 4.3Å; V510-M514 HydrophobicContact CG1-SD 3.84Å; V510-M514 WeakPolarHBondContact O-CG 3.38Å; V510-M514 PolarHBondContact O-N 3.18Å; A511-M514 PolarHBondContact O-N 3.34Å; M514-T516 PolarHBondContact O-N 3.22Å; M514-T517 WeakPolarHBondContact O-CB 3.44Å; M514-T517 PolarHBondContact O-N 3Å; M514-T517 VanDerWaalsContact O-N 3.09Å
515I94.6Very high93.6Very high0 Ų041.2 Ų41.20%023%0.229CC..Hα-helixtrans-59.9-39.1176-70.5162.3000110.6I99 V107 P113 L116 I120 A511 T517I99-I515 HydrophobicContact CG2-CD1 4.14Å; V107-I515 HydrophobicContact CG2-CG2 3.76Å; P113-I515 HydrophobicContact CB-CG2 4.34Å; L116-I515 HydrophobicContact CB-CG2 4.48Å; L116-I515 HydrophobicContact CD1-CG2 4.47Å; I120-I515 HydrophobicContact CD1-CD1 3.62Å; A511-I515 WeakPolarHBondContact O-CB 3.29Å; A511-I515 WeakPolarHBondContact O-CD1 3.03Å; A511-I515 WeakPolarHBondContact O-CG1 3.38Å; A511-I515 PolarHBondContact O-N 3.27Å; I515-T517 VanDerWaalsContact C-N 3.27Å; I515-T517 PolarHBondContact O-N 3.03Å
516T94.2Very high92.5Very high34 Ų3446.6 Ų46.621%0.20925%0.251CS..THydrogen-bonded Turntrans-80.1-1.8178.658.70000114.8P113 M114 K117 G512 L513 M514 E518P113-T516 HydrophobicContact CB-CG2 4.23Å; M114-T516 HydrophobicContact SD-CG2 3.57Å; M114-T516 VanDerWaalsContact SD-CG2 3.57Å; K117-T516 HydrophobicContact CB-CG2 3.94Å; K117-T516 HydrophobicContact CD-CG2 3.92Å; K117-T516 HydrophobicContact CG-CG2 4.5Å; G512-T516 WeakPolarHBondContact O-CG2 3.4Å; G512-T516 PolarHBondContact O-N 2.77Å; G512-T516 VanDerWaalsContact O-N 3.17Å; G512-T516 PolarHBondContact O-OG1 3.09Å; L513-T516 PolarHBondContact O-N 3.47Å; L513-T516 PolarHBondContact O-OG1 3.25Å; M514-T516 PolarHBondContact O-N 3.22Å; T516-E518 PolarHBondContact O-N 3.3Å
517T93.1Very high90.7Very high38 Ų3849.6 Ų49.623%0.23327%0.273CS..  trans-77.8120.2-178-630000110.9L513 M514 I515 M520L513-T517 PolarHBondContact O-N 3.39Å; L513-T517 PolarHBondContact O-OG1 3.05Å; M514-T517 WeakPolarHBondContact O-CB 3.44Å; M514-T517 PolarHBondContact O-N 3Å; M514-T517 VanDerWaalsContact O-N 3.09Å; I515-T517 VanDerWaalsContact C-N 3.27Å; I515-T517 PolarHBondContact O-N 3.03Å; T517-M520 HydrophobicContact CG2-CG 4.09Å
518E90.9Very high88.4Confident88 Ų8857.5 Ų57.541%0.41132%0.315SS..  trans-108-16.5178.4-73.8-63.9157.800113.6F8 G9 R13 T516F8-E518 CarbonylContact C-O 3.5Å; F8-E518 VanDerWaalsContact CA-O 3.29Å; F8-E518 WeakPolarHBondContact CA-O 3.16Å; G9-E518 PolarHBondContact N-O 3.14Å; R13-E518 IonicContact CZ-OE1 2.69Å; R13-E518 IonicContact NH1-OE1 3.72Å; R13-E518 PolarHBondContact NH1-OE1 2.69Å; R13-E518 IonicContact NH1-OE2 2.82Å; R13-E518 PolarHBondContact NH1-OE2 2.64Å; T516-E518 PolarHBondContact O-N 3.3Å
519C93.8Very high85.8Confident55 Ų5561.2 Ų61.237%0.37235%0.345SS..EExtended strand (participates in β ladder)trans-143.1136.2-177.2-178.20000110.5V6 K7 F8V6-C519 VanDerWaalsContact CG1-SG 3.53Å; K7-C519 WeakPolarHBondContact O-CA 3.3Å; F8-C519 HydrophobicContact CD1-CB 3.93Å; F8-C519 HydrophobicContact CE1-CB 4.08Å; F8-C519 WeakPolarHBondContact CE1-SG 3.28Å
520M93.1Very high83.2Confident11 Ų1162 Ų625%0.05436%0.355CS..EExtended strand (participates in β ladder)trans-124.1135.2173.9-62.9171.676.800108.7V6 K7 A12 M16 F66 M69 T517V6-M520 WeakPolarHBondContact CA-O 3.14Å; K7-M520 PolarHBondContact N-O 3.16Å; K7-M520 PolarHBondContact O-N 3.38Å; A12-M520 HydrophobicContact CB-CB 4.42Å; A12-M520 HydrophobicContact CB-CG 4.01Å; A12-M520 HydrophobicContact CB-SD 3.74Å; A12-M520 VanDerWaalsContact O-SD 3.39Å; M16-M520 HydrophobicContact CB-CE 3.92Å; M16-M520 HydrophobicContact CB-SD 3.89Å; M16-M520 HydrophobicContact CG-CE 4.14Å; M16-M520 HydrophobicContact CG-SD 4.44Å; M16-M520 HydrophobicContact SD-CE 4.31Å; M16-M520 HydrophobicContact SD-SD 4.28Å; F66-M520 HydrophobicContact CB-CE 4.09Å; F66-M520 HydrophobicContact CD1-CB 3.62Å; F66-M520 HydrophobicContact CD1-CE 4.06Å; F66-M520 HydrophobicContact CD1-SD 4.21Å; F66-M520 HydrophobicContact CE1-CB 3.75Å; F66-M520 VanDerWaalsContact O-CE 3.32Å; F66-M520 WeakPolarHBondContact O-CE 3.39Å; M69-M520 HydrophobicContact CB-CE 3.61Å; M69-M520 HydrophobicContact CG-CE 4.21Å; M69-M520 HydrophobicContact SD-CB 4.28Å; M69-M520 HydrophobicContact SD-CE 3.56Å; M69-M520 VanDerWaalsContact SD-CE 3.56Å; T517-M520 HydrophobicContact CG2-CG 4.09Å
521V94.2Very high80.6Confident79 Ų7967.4 Ų67.448%0.47938%0.384SS..EExtended strand (participates in β ladder)trans-128.2122-175.9-178.80000108.8K4 V6 M69K4-V521 HydrophobicContact CB-CG1 3.99Å; K4-V521 HydrophobicContact CD-CG1 4.29Å; K4-V521 HydrophobicContact CG-CG1 4.15Å; V6-V521 HydrophobicContact CG1-CG2 4.05Å; V6-V521 HydrophobicContact CG2-CG1 4.28Å; V6-V521 HydrophobicContact CG2-CG2 4.24Å; M69-V521 VanDerWaalsContact CE-O 3.25Å; M69-V521 WeakPolarHBondContact CE-O 3.46Å
522T92.5Very high78.2Confident17 Ų1774.6 Ų74.610%0.10442%0.421CS..EExtended strand (participates in β ladder)trans-130.7164.7175.9-165.20000110.9K4 D5 K65 F66 L524K4-T522 CarbonylContact C-O 3.58Å; K4-T522 VanDerWaalsContact CA-O 3.23Å; K4-T522 WeakPolarHBondContact CA-O 3.36Å; D5-T522 HydrophobicContact CB-CG2 3.97Å; D5-T522 PolarHBondContact N-O 3.36Å; D5-T522 PolarHBondContact O-N 2.81Å; K65-T522 HydrophobicContact CB-CG2 4.08Å; K65-T522 WeakPolarHBondContact CB-OG1 3.42Å; K65-T522 HydrophobicContact CD-CG2 4.34Å; K65-T522 WeakPolarHBondContact CD-OG1 3.47Å; F66-T522 HydrophobicContact CD2-CG2 4.2Å; F66-T522 HydrophobicContact CE1-CG2 4.08Å; F66-T522 HydrophobicContact CE2-CG2 3.54Å; F66-T522 HydrophobicContact CZ-CG2 3.48Å; F66-T522 VanDerWaalsContact CZ-CG2 3.48Å; T522-L524 PolarHBondContact O-N 2.67Å
523D90.8Very high75.7Confident64 Ų6477.5 Ų77.534%0.34245%0.451SS..EExtended strand (participates in β ladder)trans-64.4130.9169.1-68.7-45000109.5K4 K65K4-D523 WeakPolarHBondContact CE-OD1 3.03Å; K4-D523 IonicContact NZ-OD1 3.68Å; K4-D523 PolarHBondContact NZ-OD1 3.35Å; K65-D523 PolarHBondContact NZ-O 3.11Å
524L85.9Confident73.2Confident83 Ų8377.2 Ų77.244%0.43546%0.462SS..PPolyproline II helixtrans-52.2131.8171.7-168.373.7000108.2A3 D5 T522 K526A3-L524 HydrophobicContact CB-CB 4.06Å; A3-L524 HydrophobicContact CB-CD2 3.83Å; A3-L524 WeakPolarHBondContact O-CB 3.43Å; A3-L524 PolarHBondContact O-N 2.75Å; D5-L524 HydrophobicContact CB-CD1 3.97Å; T522-L524 PolarHBondContact O-N 2.67Å; L524-K526 PolarHBondContact O-N 3.23Å
525P78.3Confident70.6Confident78 Ų7881.5 Ų81.551%0.50650%0.497SS..PPolyproline II helixtrans-50.6130177.3-26.334.2000110.3N527P525-N527 PolarHBondContact O-N 2.82Å
526K76.3Confident67.9Low181 Ų18185.1 Ų85.179%0.78754%0.535SS*.PPolyproline II helixtrans-71.9119.6167.7-70.3-178.6179178.40105.8L524 D528L524-K526 PolarHBondContact O-N 3.23Å; K526-D528 PolarHBondContact O-N 3.25Å
527N60.1Low65.2Low142 Ų14286.5 Ų86.576%0.75956%0.555SS**PPolyproline II helixtrans-66.8121.5163.6-74.9-14.9000106.3P525 A529P525-N527 PolarHBondContact O-N 2.82Å; N527-A529 PolarHBondContact O-N 3.39Å
528D49Very low62.5Low166 Ų16694 Ų9489%0.88859%0.59SS**  trans-69.331.7168.8-75.1-25.6000112.2K526 A530K526-D528 PolarHBondContact O-N 3.25Å; D528-A530 VanDerWaalsContact C-N 3.29Å; D528-A530 PolarHBondContact O-N 3Å; D528-A530 VanDerWaalsContact O-N 3.1Å
529A43Very low59.8Low80 Ų8093.7 Ų93.766%0.66161%0.61SS**SBendtrans-73.198.6152.800000105.2N527 D531N527-A529 PolarHBondContact O-N 3.39Å; A529-D531 PolarHBondContact O-N 3.28Å; A529-D531 VanDerWaalsContact O-N 3.11Å
530A42.2Very low57.1Low77 Ų7795 Ų9564%0.63663%0.633SS**  trans-33.9123.2168.800000108.9D528 L532D528-A530 VanDerWaalsContact C-N 3.29Å; D528-A530 PolarHBondContact O-N 3Å; D528-A530 VanDerWaalsContact O-N 3.1Å; A530-L532 PolarHBondContact O-N 2.75Å
531D41.6Very low54.6Low133 Ų133103.4 Ų103.471%0.71168%0.675SS**  trans-66.372.5-180-164.5-1.8000109.1A529 G533A529-D531 PolarHBondContact O-N 3.28Å; A529-D531 VanDerWaalsContact O-N 3.11Å; D531-G533 PolarHBondContact O-N 3.09Å; D531-G533 PolarHBondContact OD1-N 3.36Å
532L44.7Very low51.9Low152 Ų152103.3 Ų103.380%0.79669%0.69SS**THydrogen-bonded Turntrans-736.6171.2-84161.7000110.9A530A530-L532 PolarHBondContact O-N 2.75Å
533G44.9Very low49.3Very low61 Ų61106.1 Ų106.163%0.62972%0.722SS**THydrogen-bonded Turntrans-85-24.3173.100000114D531D531-G533 PolarHBondContact O-N 3.09Å; D531-G533 PolarHBondContact OD1-N 3.36Å
534A40.7Very low47Very low83 Ų83112.4 Ų112.469%0.68675%0.752SS**THydrogen-bonded Turntrans-85.7-8.9-176.300000114.6
535A38.9Very low44.5Very low89 Ų89112.1 Ų112.174%0.73677%0.769SS**THydrogen-bonded Turntrans-97.98.6176.800000114G537A535-G537 VanDerWaalsContact C-N 3.29Å; A535-G537 PolarHBondContact O-N 2.88Å
536G37.5Very low42.4Very low77 Ų77112 Ų11279%0.79478%0.782SS**SBendtrans-81.16.9-179.100000116
537G38.3Very low40.5Very low62 Ų62112.8 Ų112.864%0.63979%0.791SS**  trans-142.883-172.600000113.6A535A535-G537 VanDerWaalsContact C-N 3.29Å; A535-G537 PolarHBondContact O-N 2.88Å
538M36.4Very low39.3Very low195 Ų195118.5 Ų118.596%0.96182%0.816SS**  trans-175.7110.7147.6-97.5-94.8179.400111
539G34.2Very low38.8Very low82 Ų82116.2 Ų116.285%0.84581%0.813SS**  trans72.5117.3150.500000117.1
540G36.4Very low38.6Very low82 Ų82118.1 Ų118.185%0.84582%0.821SS**  cis84.763.132.100000112.1
541M40.9Very low38.4Very low188 Ų188120.3 Ų120.393%0.92683%0.831SS**  trans-146.9104.6154.1-87.5-165.7162.800104.3
542G37.7Very low38.2Very low77 Ų77119.6 Ų119.679%0.79484%0.838SS**  cis57.991.749.900000107.3
543G37.6Very low37.8Very low77 Ų77117.6 Ų117.679%0.79484%0.841SS**  cis115.799.945.100000107.3
544M41.5Very low37.3Very low195 Ų195121.3 Ų121.396%0.96186%0.855SS**  trans-177.2118.3160.2-103.5-172177.600106
545G34.4Very low37.1Very low77 Ų77124.1 Ų124.179%0.79487%0.867SS**  cis95.574.221.100000111.2
546G34.4Very low36.9Very low76 Ų76126.8 Ų126.878%0.78488%0.877SS**  trans83.1122.6149.800000118.1
547M35.9Very low36.9Very low198 Ų198130.9 Ų130.998%0.97588%0.884SS**  -169.5149.9105-103.9-175.7178.600110.2
548M35Very low36.8Very low262 Ų262137.2 Ų137.2100%1.29191%0.906SS**  trans-52.30176.3-65.2178.4-175.700113.7

Retrieved 548 of 548 residues in 266.9 ms (Link to these results)

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