A0A5K4F0E0_SCHMA Loading...

Williams-beuren syndrome critical region protein, putative

AlphaFold DB , UniProt , Accession A0A5K4F0E0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 530 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
1M49.7Very low80.3Confident185 Ų18569.3 Ų69.391%0.91135%0.354SS*.  0-69.70-73.4-152.7170.200113.9N3 D4 L5M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.33Å; M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.12Å; M1-D4 PolarHBondContact N-OD2 2.77Å; M1-D4 PolarHBondContact O-N 3.17Å; M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2K54.6Low81.3Confident161 Ų16163.5 Ų63.570%0.733%0.325SS*.Hα-helixtrans-59.1-40.6-179.6-78.6-173.9-179177.70112.7S6K2-S6 PolarHBondContact O-N 2.94Å; K2-S6 VanDerWaalsContact O-N 3.17Å
3N70.8Confident82.3Confident114 Ų11458.6 Ų58.661%0.6130%0.3SS*.Hα-helixtrans-66.6-49.7178.8-154.116.9000111.8M1 L5 S6 I7M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.33Å; N3-L5 VanDerWaalsContact C-N 3.31Å; N3-L5 PolarHBondContact O-N 3.47Å; N3-S6 WeakPolarHBondContact O-CB 3.35Å; N3-S6 PolarHBondContact O-N 2.82Å; N3-S6 VanDerWaalsContact O-N 3.08Å; N3-I7 WeakPolarHBondContact O-CG1 3.49Å; N3-I7 PolarHBondContact O-N 3.04Å
4D80.2Confident83.1Confident96 Ų9656.8 Ų56.851%0.51329%0.287SS..Hα-helixtrans-59.1-39.4-179.8-39.3-43.3000113M1 L8M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.12Å; M1-D4 PolarHBondContact N-OD2 2.77Å; M1-D4 PolarHBondContact O-N 3.17Å; D4-L8 WeakPolarHBondContact O-CB 3.47Å; D4-L8 PolarHBondContact O-N 2.96Å
5L85.3Confident83.5Confident41 Ų4153 Ų5322%0.21527%0.268CS..Hα-helixtrans-64-48.7174.4-84.9150.4000110.8M1 N3 I7 L8 Y9 S110 F113M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.11Å; N3-L5 VanDerWaalsContact C-N 3.31Å; N3-L5 PolarHBondContact O-N 3.47Å; L5-I7 VanDerWaalsContact C-N 3.29Å; L5-I7 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 3.18Å; L5-L8 VanDerWaalsContact O-N 3.15Å; L5-Y9 HydrophobicContact CB-CE2 4.39Å; L5-Y9 HydrophobicContact CD2-CE2 3.72Å; L5-Y9 WeakPolarHBondContact O-CD2 3.44Å; L5-Y9 PolarHBondContact O-N 3.15Å; L5-S110 WeakPolarHBondContact CD2-OG 3.45Å; L5-F113 HydrophobicContact CB-CD1 4.32Å; L5-F113 HydrophobicContact CB-CD2 4.43Å; L5-F113 HydrophobicContact CB-CE1 4.33Å; L5-F113 HydrophobicContact CB-CE2 4.42Å; L5-F113 HydrophobicContact CB-CG 4.39Å; L5-F113 HydrophobicContact CB-CZ 4.38Å
6S86.4Confident84Confident34 Ų3449.7 Ų49.724%0.23825%0.251CS..Hα-helixtrans-55.4-44.5178.6-166.20000112.4K2 N3 T10K2-S6 PolarHBondContact O-N 2.94Å; K2-S6 VanDerWaalsContact O-N 3.17Å; N3-S6 WeakPolarHBondContact O-CB 3.35Å; N3-S6 PolarHBondContact O-N 2.82Å; N3-S6 VanDerWaalsContact O-N 3.08Å; S6-T10 WeakPolarHBondContact O-CB 3.29Å; S6-T10 PolarHBondContact O-N 3.2Å; S6-T10 PolarHBondContact O-OG1 3.27Å
7I88.6Confident84.4Confident54 Ų5446.8 Ų46.828%0.27724%0.237SC..Hα-helixtrans-63.8-47.9177.1-61.8166000110.1N3 L5 Y9 T10 E11 T36 C37N3-I7 WeakPolarHBondContact O-CG1 3.49Å; N3-I7 PolarHBondContact O-N 3.04Å; L5-I7 VanDerWaalsContact C-N 3.29Å; L5-I7 PolarHBondContact O-N 3.42Å; I7-Y9 PolarHBondContact O-N 3.39Å; I7-T10 PolarHBondContact O-N 3.3Å; I7-T10 VanDerWaalsContact O-N 3.11Å; I7-E11 HydrophobicContact CG2-CG 4.23Å; I7-E11 WeakPolarHBondContact O-CB 3.13Å; I7-E11 WeakPolarHBondContact O-CG 3.25Å; I7-E11 PolarHBondContact O-N 2.98Å; I7-T36 WeakPolarHBondContact CG2-OG1 3.35Å; I7-C37 VanDerWaalsContact CG2-SG 3.59Å
8L90Very high84.4Confident30 Ų3044.4 Ų44.416%0.15723%0.225CC..Hα-helixtrans-56.9-45.6179.3175.664.8000112.9D4 L5 A12 C37 K41 I42 L45D4-L8 WeakPolarHBondContact O-CB 3.47Å; D4-L8 PolarHBondContact O-N 2.96Å; L5-L8 PolarHBondContact O-N 3.18Å; L5-L8 VanDerWaalsContact O-N 3.15Å; L8-A12 VanDerWaalsContact O-CB 3.28Å; L8-A12 WeakPolarHBondContact O-CB 3.24Å; L8-A12 PolarHBondContact O-N 2.85Å; L8-C37 HydrophobicContact CB-CB 4.5Å; L8-C37 HydrophobicContact CD1-CB 4.05Å; L8-K41 HydrophobicContact CD1-CB 3.87Å; L8-K41 HydrophobicContact CD2-CB 4.48Å; L8-I42 HydrophobicContact CD1-CG1 3.82Å; L8-L45 HydrophobicContact CG-CD2 4.46Å
9Y92.5Very high84.2Confident2 Ų243.9 Ų43.91%0.00822%0.224CC..Hα-helixtrans-67.1-37.9177.9-74.3-76.7000111.8L5 I7 A13 L45 V97 L98 D101 F113 L114L5-Y9 HydrophobicContact CB-CE2 4.39Å; L5-Y9 HydrophobicContact CD2-CE2 3.72Å; L5-Y9 WeakPolarHBondContact O-CD2 3.44Å; L5-Y9 PolarHBondContact O-N 3.15Å; I7-Y9 PolarHBondContact O-N 3.39Å; Y9-A13 WeakPolarHBondContact O-CB 3.27Å; Y9-A13 PolarHBondContact O-N 3.01Å; Y9-L45 HydrophobicContact CD1-CD2 3.92Å; Y9-L45 HydrophobicContact CE1-CD2 3.97Å; Y9-V97 HydrophobicContact CD1-CG1 3.79Å; Y9-V97 HydrophobicContact CE1-CG1 4.43Å; Y9-L98 HydrophobicContact CD1-CD2 3.84Å; Y9-L98 HydrophobicContact CD2-CD2 4.37Å; Y9-L98 HydrophobicContact CE1-CD2 4.34Å; Y9-L98 HydrophobicContact CG-CD2 3.9Å; Y9-D101 HydrophobicContact CE1-CB 3.81Å; Y9-D101 PolarHBondContact OH-OD2 3.3Å; Y9-F113 HydrophobicContact CD2-CD1 4.04Å; Y9-F113 AromaticContact CD2-CE1 3.36Å; Y9-F113 HydrophobicContact CD2-CE1 3.36Å; Y9-F113 HydrophobicContact CD2-CZ 4.21Å; Y9-F113 AromaticContact CE2-CD1 3.76Å; Y9-F113 HydrophobicContact CE2-CD1 3.76Å; Y9-F113 AromaticContact CE2-CE1 3.58Å; Y9-F113 HydrophobicContact CE2-CE1 3.58Å; Y9-F113 HydrophobicContact CG-CE1 4.31Å; Y9-L114 HydrophobicContact CD1-CD2 4.49Å; Y9-L114 HydrophobicContact CE1-CD2 3.75Å; Y9-L114 HydrophobicContact CE2-CD2 4.18Å
10T92.1Very high84.1Confident38 Ų3845.5 Ų45.523%0.23323%0.229CC..Hα-helixtrans-65.6-44.6178-57.70000111.4S6 I7 A13 Y14S6-T10 WeakPolarHBondContact O-CB 3.29Å; S6-T10 PolarHBondContact O-N 3.2Å; S6-T10 PolarHBondContact O-OG1 3.27Å; I7-T10 PolarHBondContact O-N 3.3Å; I7-T10 VanDerWaalsContact O-N 3.11Å; T10-A13 WeakPolarHBondContact O-CB 3.36Å; T10-A13 PolarHBondContact O-N 2.76Å; T10-Y14 WeakPolarHBondContact O-CB 3.41Å; T10-Y14 PolarHBondContact O-N 2.89Å
11E92.7Very high83.8Confident7 Ų744.2 Ų44.23%0.03323%0.228CC..Hα-helixtrans-69.4-42.9178.3-76-173.7172.900112.8I7 A13 Y14 L15 F35 T36 C37 I42I7-E11 HydrophobicContact CG2-CG 4.23Å; I7-E11 WeakPolarHBondContact O-CB 3.13Å; I7-E11 WeakPolarHBondContact O-CG 3.25Å; I7-E11 PolarHBondContact O-N 2.98Å; E11-A13 VanDerWaalsContact C-N 3.28Å; E11-A13 PolarHBondContact O-N 3.48Å; E11-Y14 WeakPolarHBondContact O-CB 3.45Å; E11-Y14 PolarHBondContact O-N 2.91Å; E11-L15 PolarHBondContact O-N 3.06Å; E11-F35 HydrophobicContact CB-CD1 3.76Å; E11-F35 HydrophobicContact CB-CE1 4.21Å; E11-F35 HydrophobicContact CG-CD1 3.92Å; E11-T36 WeakPolarHBondContact OE1-CB 3.44Å; E11-T36 PolarHBondContact OE1-N 3.33Å; E11-T36 PolarHBondContact OE1-OG1 2.65Å; E11-T36 PolarHBondContact OE2-N 3.25Å; E11-C37 WeakPolarHBondContact OE2-CB 3.34Å; E11-C37 PolarHBondContact OE2-N 3.27Å; E11-I42 HydrophobicContact CB-CD1 4.1Å; E11-I42 HydrophobicContact CB-CG1 4.4Å; E11-I42 VanDerWaalsContact OE2-CD1 3.22Å; E11-I42 WeakPolarHBondContact OE2-CD1 3.42Å
12A92.9Very high85.1Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-60.8-40.5172.300000111.2L8 L15 V16 I42 L45 V97L8-A12 VanDerWaalsContact O-CB 3.28Å; L8-A12 WeakPolarHBondContact O-CB 3.24Å; L8-A12 PolarHBondContact O-N 2.85Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-V16 VanDerWaalsContact O-CG2 3.28Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 2.87Å; A12-I42 HydrophobicContact CB-CG2 4.48Å; A12-L45 HydrophobicContact CB-CB 4.16Å; A12-L45 HydrophobicContact CB-CD2 3.74Å; A12-L45 HydrophobicContact CB-CG 3.92Å; A12-V97 HydrophobicContact CB-CG1 4.13Å
13A93.8Very high85.7Confident0 Ų037.3 Ų37.30%020%0.199CC..Hα-helixtrans-66.7-36.7175.800000112.7Y9 T10 E11 V16 C17 S89 C93 Y94 V97Y9-A13 WeakPolarHBondContact O-CB 3.27Å; Y9-A13 PolarHBondContact O-N 3.01Å; T10-A13 WeakPolarHBondContact O-CB 3.36Å; T10-A13 PolarHBondContact O-N 2.76Å; E11-A13 VanDerWaalsContact C-N 3.28Å; E11-A13 PolarHBondContact O-N 3.48Å; A13-V16 PolarHBondContact O-N 3.07Å; A13-C17 VanDerWaalsContact O-CB 3.25Å; A13-C17 WeakPolarHBondContact O-CB 3.33Å; A13-C17 PolarHBondContact O-N 2.95Å; A13-S89 WeakPolarHBondContact CB-OG 3.1Å; A13-S89 WeakPolarHBondContact O-CB 3.36Å; A13-C93 HydrophobicContact CB-CB 4.48Å; A13-C93 WeakPolarHBondContact O-CB 3.19Å; A13-Y94 VanDerWaalsContact CB-CA 3.43Å; A13-Y94 HydrophobicContact CB-CD2 4.09Å; A13-V97 HydrophobicContact CB-CG2 3.98Å
14Y93.4Very high85.4Confident33 Ų3333.1 Ų33.113%0.12918%0.178CC..Hα-helixtrans-61.7-47.6174.6176.9-106.2000110.5T10 E11 V16 C17 L18 H33 F35 L74 V87 S89T10-Y14 WeakPolarHBondContact O-CB 3.41Å; T10-Y14 PolarHBondContact O-N 2.89Å; E11-Y14 WeakPolarHBondContact O-CB 3.45Å; E11-Y14 PolarHBondContact O-N 2.91Å; Y14-V16 PolarHBondContact O-N 2.98Å; Y14-C17 WeakPolarHBondContact O-CA 3.39Å; Y14-C17 VanDerWaalsContact O-CB 3.31Å; Y14-C17 WeakPolarHBondContact O-CB 3.44Å; Y14-C17 PolarHBondContact O-N 3.34Å; Y14-L18 HydrophobicContact CD1-CD1 3.86Å; Y14-L18 HydrophobicContact CD1-CG 4.35Å; Y14-L18 HydrophobicContact CE1-CD1 3.44Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.44Å; Y14-L18 HydrophobicContact CE1-CD2 4.48Å; Y14-L18 HydrophobicContact CE1-CG 4.07Å; Y14-L18 HydrophobicContact CE2-CD2 4.43Å; Y14-L18 HydrophobicContact CE2-CG 4.48Å; Y14-L18 WeakPolarHBondContact O-CG 3.37Å; Y14-L18 PolarHBondContact O-N 3.37Å; Y14-H33 HydrophobicContact CE1-CB 4.13Å; Y14-H33 AromaticContact CE1-CG 3.92Å; Y14-H33 AromaticContact CE1-ND1 3.62Å; Y14-H33 AromaticContact CZ-ND1 3.76Å; Y14-H33 PolarHBondContact OH-CE1 3.29Å; Y14-H33 PolarHBondContact OH-ND1 3.28Å; Y14-F35 AromaticContact CD1-CE1 3.84Å; Y14-F35 HydrophobicContact CD1-CE1 3.84Å; Y14-F35 HydrophobicContact CD1-CZ 4.08Å; Y14-L74 HydrophobicContact CD2-CD1 3.53Å; Y14-L74 HydrophobicContact CE2-CD1 3.32Å; Y14-V87 HydrophobicContact CD1-CG1 3.43Å; Y14-V87 VanDerWaalsContact CD1-CG1 3.43Å; Y14-V87 HydrophobicContact CD2-CG1 3.63Å; Y14-V87 HydrophobicContact CE1-CG1 3.94Å; Y14-V87 HydrophobicContact CE2-CG1 4.12Å; Y14-V87 HydrophobicContact CG-CG1 3.25Å; Y14-S89 VanDerWaalsContact CA-CB 3.47Å; Y14-S89 VanDerWaalsContact N-CB 3.28Å
15L90.1Very high84.6Confident0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-61.5-42.6176.3-174.558000112.3E11 A12 C17 L18 V19 L26 L30 F35 I42 A46E11-L15 PolarHBondContact O-N 3.06Å; A12-L15 PolarHBondContact O-N 3.14Å; L15-C17 VanDerWaalsContact C-N 3.29Å; L15-C17 PolarHBondContact O-N 3.42Å; L15-L18 PolarHBondContact O-N 3.21Å; L15-V19 VanDerWaalsContact O-CG2 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.02Å; L15-V19 PolarHBondContact O-N 3.4Å; L15-V19 VanDerWaalsContact O-N 3.14Å; L15-L26 HydrophobicContact CD1-CD1 4.23Å; L15-L26 HydrophobicContact CD2-CD1 3.43Å; L15-L26 VanDerWaalsContact CD2-CD1 3.43Å; L15-L26 HydrophobicContact CG-CD1 3.58Å; L15-L30 HydrophobicContact CD2-CB 4.16Å; L15-L30 HydrophobicContact CD2-CD1 3.68Å; L15-F35 HydrophobicContact CB-CE1 4.35Å; L15-F35 HydrophobicContact CB-CZ 4.11Å; L15-F35 HydrophobicContact CD1-CZ 4.2Å; L15-I42 HydrophobicContact CB-CG2 4.38Å; L15-I42 HydrophobicContact CD2-CG2 3.75Å; L15-A46 HydrophobicContact CB-CB 4.31Å; L15-A46 HydrophobicContact CD2-CB 3.91Å; L15-A46 HydrophobicContact CG-CB 4.2Å
16V90.8Very high84.1Confident0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-59.9-40.7172.11720000111.3A12 A13 Y14 V19 K20 A46 T49 L50 Y53 C93 V97A12-V16 VanDerWaalsContact O-CG2 3.28Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 2.87Å; A13-V16 PolarHBondContact O-N 3.07Å; Y14-V16 PolarHBondContact O-N 2.98Å; V16-V19 PolarHBondContact O-N 2.99Å; V16-K20 HydrophobicContact CG1-CG 4.38Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 WeakPolarHBondContact O-CG 3.33Å; V16-K20 PolarHBondContact O-N 2.9Å; V16-A46 HydrophobicContact CG2-CB 3.84Å; V16-T49 HydrophobicContact CG2-CG2 4.26Å; V16-L50 HydrophobicContact CG1-CD2 4.01Å; V16-L50 HydrophobicContact CG2-CG 4.22Å; V16-Y53 HydrophobicContact CG1-CE2 4.36Å; V16-C93 HydrophobicContact CG1-CB 4.26Å; V16-V97 HydrophobicContact CG2-CG2 4Å
17C90.4Very high83.4Confident0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-66.1-43.9-179.5-165.80000111.9A13 Y14 L15 V19 K20 G21 L74 C93A13-C17 VanDerWaalsContact O-CB 3.25Å; A13-C17 WeakPolarHBondContact O-CB 3.33Å; A13-C17 PolarHBondContact O-N 2.95Å; Y14-C17 WeakPolarHBondContact O-CA 3.39Å; Y14-C17 VanDerWaalsContact O-CB 3.31Å; Y14-C17 WeakPolarHBondContact O-CB 3.44Å; Y14-C17 PolarHBondContact O-N 3.34Å; L15-C17 VanDerWaalsContact C-N 3.29Å; L15-C17 PolarHBondContact O-N 3.42Å; C17-V19 VanDerWaalsContact C-N 3.33Å; C17-V19 PolarHBondContact O-N 2.91Å; C17-K20 PolarHBondContact O-N 2.87Å; C17-G21 WeakPolarHBondContact O-CA 3.44Å; C17-G21 PolarHBondContact O-N 3.39Å; C17-L74 HydrophobicContact CB-CD1 4.18Å; C17-L74 PolarHBondContact SG-N 2.82Å; C17-L74 VanDerWaalsContact SG-N 3.37Å; C17-C93 VanDerWaalsContact CA-SG 3.53Å; C17-C93 HydrophobicContact CB-CB 3.94Å
18L84.9Confident82.5Confident4 Ų433.7 Ų33.72%0.02117%0.171CC..Hα-helixtrans-58.2-45.6173.8-69.5174.3000111.6Y14 L15 G21 Q22 V23 H33 L74Y14-L18 HydrophobicContact CD1-CD1 3.86Å; Y14-L18 HydrophobicContact CD1-CG 4.35Å; Y14-L18 HydrophobicContact CE1-CD1 3.44Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.44Å; Y14-L18 HydrophobicContact CE1-CD2 4.48Å; Y14-L18 HydrophobicContact CE1-CG 4.07Å; Y14-L18 HydrophobicContact CE2-CD2 4.43Å; Y14-L18 HydrophobicContact CE2-CG 4.48Å; Y14-L18 WeakPolarHBondContact O-CG 3.37Å; Y14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.21Å; L18-G21 PolarHBondContact O-N 3.02Å; L18-Q22 PolarHBondContact O-N 2.88Å; L18-V23 HydrophobicContact CB-CB 4.34Å; L18-V23 HydrophobicContact CD2-CB 3.92Å; L18-V23 HydrophobicContact CD2-CG1 3.83Å; L18-V23 HydrophobicContact CD2-CG2 4.16Å; L18-V23 WeakPolarHBondContact O-CB 3.37Å; L18-V23 PolarHBondContact O-N 2.95Å; L18-H33 WeakPolarHBondContact CD1-NE2 3.26Å; L18-L74 HydrophobicContact CD2-CB 4.36Å; L18-L74 HydrophobicContact CD2-CD1 3.86Å; L18-L74 HydrophobicContact CG-CD1 4.25Å
19V80.6Confident81.7Confident35 Ų3532.2 Ų32.221%0.21216%0.164CC..Hα-helixtrans-66-44.3179.8176.30000111.8L15 V16 C17 Q22 C24 L26 L50L15-V19 VanDerWaalsContact O-CG2 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.02Å; L15-V19 PolarHBondContact O-N 3.4Å; L15-V19 VanDerWaalsContact O-N 3.14Å; V16-V19 PolarHBondContact O-N 2.99Å; C17-V19 VanDerWaalsContact C-N 3.33Å; C17-V19 PolarHBondContact O-N 2.91Å; V19-Q22 PolarHBondContact O-N 3.35Å; V19-C24 WeakPolarHBondContact CA-O 3.41Å; V19-L26 HydrophobicContact CG2-CB 4.1Å; V19-L26 HydrophobicContact CG2-CD1 4.43Å; V19-L50 HydrophobicContact CB-CD1 4.13Å; V19-L50 HydrophobicContact CB-CD2 4.24Å; V19-L50 HydrophobicContact CG1-CD1 3.89Å; V19-L50 HydrophobicContact CG1-CD2 3.94Å; V19-L50 HydrophobicContact CG2-CD1 4.19Å
20K82.5Confident81.1Confident75 Ų7532.4 Ų32.433%0.32616%0.164SC..Hα-helixtrans-73.4-28.9178.6-70.5-65178.4-179.20113.5V16 C17 Q22 L50 Y53V16-K20 HydrophobicContact CG1-CG 4.38Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 WeakPolarHBondContact O-CG 3.33Å; V16-K20 PolarHBondContact O-N 2.9Å; C17-K20 PolarHBondContact O-N 2.87Å; K20-Q22 PolarHBondContact O-N 3.03Å; K20-L50 HydrophobicContact CD-CD2 4.29Å; K20-L50 HydrophobicContact CG-CD2 4.09Å; K20-Y53 HydrophobicContact CD-CD1 4.34Å; K20-Y53 HydrophobicContact CD-CD2 4.28Å; K20-Y53 HydrophobicContact CD-CE1 3.96Å; K20-Y53 HydrophobicContact CD-CE2 3.88Å; K20-Y53 HydrophobicContact CD-CG 4.49Å; K20-Y53 VanDerWaalsContact CE-CD1 3.5Å; K20-Y53 VanDerWaalsContact CE-CE2 3.45Å; K20-Y53 HydrophobicContact CG-CD2 4.33Å; K20-Y53 HydrophobicContact CG-CE2 3.67Å
21G78Confident80.3Confident20 Ų2034.9 Ų34.921%0.20617%0.17CC..THydrogen-bonded Turntrans-72.1-4.4169.700000114.6C17 L18 V23 L74C17-G21 WeakPolarHBondContact O-CA 3.44Å; C17-G21 PolarHBondContact O-N 3.39Å; L18-G21 PolarHBondContact O-N 3.02Å; G21-V23 PolarHBondContact O-N 2.83Å; G21-L74 WeakPolarHBondContact CA-O 3.32Å
22Q75.6Confident79.2Confident156 Ų15638.5 Ų38.573%0.72919%0.193SC*.THydrogen-bonded Turntrans58.226.4-174.9-54.6-179-23.400112.9L18 V19 K20L18-Q22 PolarHBondContact O-N 2.88Å; V19-Q22 PolarHBondContact O-N 3.35Å; K20-Q22 PolarHBondContact O-N 3.03Å
23V68.4Low78.3Confident45 Ų4541 Ų4127%0.27321%0.205SC..SBendtrans-72.9-45.2177.4-176.10000109.9L18 G21 L74L18-V23 HydrophobicContact CB-CB 4.34Å; L18-V23 HydrophobicContact CD2-CB 3.92Å; L18-V23 HydrophobicContact CD2-CG1 3.83Å; L18-V23 HydrophobicContact CD2-CG2 4.16Å; L18-V23 WeakPolarHBondContact O-CB 3.37Å; L18-V23 PolarHBondContact O-N 2.95Å; G21-V23 PolarHBondContact O-N 2.83Å; V23-L74 HydrophobicContact CG2-CB 4.29Å; V23-L74 VanDerWaalsContact CG2-O 3.23Å; V23-L74 WeakPolarHBondContact CG2-O 3.26Å
24C65Low77.5Confident25 Ų2546.8 Ų46.817%0.16924%0.235CC..SBendtrans-155.8169177.864.50000110.9V19 T28 G29V19-C24 WeakPolarHBondContact CA-O 3.41Å; C24-T28 HydrophobicContact CB-CG2 4.42Å; C24-G29 WeakPolarHBondContact SG-CA 3.27Å
25R63.3Low77Confident61 Ų6145.7 Ų45.723%0.2323%0.232CC..  trans-81.6168.2167-77.6-156.5-164.8132.6-3.5112K27 T28 G29 E433R25-K27 PolarHBondContact O-N 3.18Å; R25-T28 PolarHBondContact O-N 2.95Å; R25-G29 PolarHBondContact O-N 3.03Å; R25-E433 WeakPolarHBondContact CB-OE1 3.43Å; R25-E433 VanDerWaalsContact CD-CD 3.43Å; R25-E433 WeakPolarHBondContact CD-OE1 3.4Å; R25-E433 WeakPolarHBondContact CD-OE2 3.32Å; R25-E433 WeakPolarHBondContact CG-OE1 3.27Å; R25-E433 VanDerWaalsContact CG-OE2 3.28Å; R25-E433 WeakPolarHBondContact CG-OE2 3.11Å; R25-E433 IonicContact CZ-OE1 2.7Å; R25-E433 IonicContact CZ-OE2 3.93Å; R25-E433 IonicContact NE-OE1 2.81Å; R25-E433 PolarHBondContact NE-OE1 3.28Å; R25-E433 IonicContact NE-OE2 3.81Å; R25-E433 PolarHBondContact NE-OE2 2.78Å; R25-E433 IonicContact NH1-OE1 3Å; R25-E433 PolarHBondContact NH1-OE1 2.86Å; R25-E433 IonicContact NH1-OE2 2.61Å; R25-E433 PolarHBondContact NH1-OE2 3.16Å; R25-E433 IonicContact NH2-OE2 2.69Å
26L74.2Confident76.5Confident24 Ų2448.9 Ų48.913%0.12625%0.251CS..Hα-helixtrans-57-50-174-178.765.2000113L15 V19 L30 Y43 A46 L50L15-L26 HydrophobicContact CD1-CD1 4.23Å; L15-L26 HydrophobicContact CD2-CD1 3.43Å; L15-L26 VanDerWaalsContact CD2-CD1 3.43Å; L15-L26 HydrophobicContact CG-CD1 3.58Å; V19-L26 HydrophobicContact CG2-CB 4.1Å; V19-L26 HydrophobicContact CG2-CD1 4.43Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.25Å; L26-Y43 HydrophobicContact CD1-CD2 4.45Å; L26-Y43 HydrophobicContact CD2-CD2 3.77Å; L26-Y43 HydrophobicContact CD2-CE2 3.36Å; L26-Y43 HydrophobicContact CG-CD2 3.78Å; L26-Y43 HydrophobicContact CG-CE2 3.62Å; L26-A46 HydrophobicContact CD1-CB 3.79Å; L26-L50 HydrophobicContact CB-CD1 4.38Å; L26-L50 HydrophobicContact CD1-CD1 3.87Å; L26-L50 HydrophobicContact CD2-CD1 4.23Å; L26-L50 HydrophobicContact CG-CD1 4.39Å
27K72.1Confident76.1Confident108 Ų10850 Ų5047%0.4726%0.258SS..Hα-helixtrans-69-46.4179.2-73.1-166.5175.6-1640111.7R25 G29 L30 Y31 Y43R25-K27 PolarHBondContact O-N 3.18Å; K27-G29 VanDerWaalsContact C-N 3.35Å; K27-G29 PolarHBondContact O-N 3.49Å; K27-L30 WeakPolarHBondContact O-CB 3.43Å; K27-L30 PolarHBondContact O-N 3.05Å; K27-Y31 HydrophobicContact CB-CE2 4.36Å; K27-Y31 WeakPolarHBondContact O-CD2 3.4Å; K27-Y31 PolarHBondContact O-N 2.94Å; K27-Y31 VanDerWaalsContact O-N 3.16Å; K27-Y43 HydrophobicContact CG-CE2 3.79Å
28T69.3Low75.7Confident44 Ų4453.2 Ų53.227%0.2728%0.276SS..Hα-helixtrans-56.3-51.3177.2-50.70000110.6C24 R25 L30 Y31 T32C24-T28 HydrophobicContact CB-CG2 4.42Å; R25-T28 PolarHBondContact O-N 2.95Å; T28-L30 VanDerWaalsContact C-N 3.3Å; T28-L30 PolarHBondContact O-N 3.47Å; T28-Y31 PolarHBondContact O-N 3.48Å; T28-Y31 VanDerWaalsContact O-N 3.1Å; T28-T32 HydrophobicContact CG2-CG2 3.88Å; T28-T32 WeakPolarHBondContact O-CB 3.33Å; T28-T32 VanDerWaalsContact O-CG2 3.3Å; T28-T32 WeakPolarHBondContact O-CG2 3.31Å; T28-T32 PolarHBondContact O-N 3Å; T28-T32 PolarHBondContact O-OG1 3.39Å
29G72.9Confident75.6Confident0 Ų055.3 Ų55.30%029%0.287CS..Hα-helixtrans-59.1-40.3178.200000113.2C24 R25 K27 Y31 H33 F35C24-G29 WeakPolarHBondContact SG-CA 3.27Å; R25-G29 PolarHBondContact O-N 3.03Å; K27-G29 VanDerWaalsContact C-N 3.35Å; K27-G29 PolarHBondContact O-N 3.49Å; G29-Y31 VanDerWaalsContact C-N 3.25Å; G29-Y31 PolarHBondContact O-N 2.95Å; G29-H33 PolarHBondContact O-CD2 3.2Å; G29-H33 PolarHBondContact O-N 3Å; G29-F35 WeakPolarHBondContact O-CE2 3.47Å
30L79.3Confident75.4Confident5 Ų562 Ų623%0.02631%0.308CS..Hα-helixtrans-59.5-35.3177-171.476000112.6L15 L26 K27 T28 F35 L39 I42 Y43L15-L30 HydrophobicContact CD2-CB 4.16Å; L15-L30 HydrophobicContact CD2-CD1 3.68Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.25Å; K27-L30 WeakPolarHBondContact O-CB 3.43Å; K27-L30 PolarHBondContact O-N 3.05Å; T28-L30 VanDerWaalsContact C-N 3.3Å; T28-L30 PolarHBondContact O-N 3.47Å; L30-F35 WeakPolarHBondContact O-CD2 3.38Å; L30-L39 HydrophobicContact CD1-CB 4.11Å; L30-L39 HydrophobicContact CD1-CD2 3.9Å; L30-L39 HydrophobicContact CD2-CB 4.23Å; L30-L39 HydrophobicContact CG-CB 4.19Å; L30-L39 HydrophobicContact CG-CD2 4.1Å; L30-I42 HydrophobicContact CD1-CB 4.1Å; L30-I42 HydrophobicContact CD1-CG2 3.89Å; L30-Y43 HydrophobicContact CD2-CD2 3.87Å; L30-Y43 HydrophobicContact CD2-CG 4.12Å
31Y76Confident75.5Confident90 Ų9064.7 Ų64.735%0.35332%0.32SS..Hα-helixtrans-101.7-15.4-174.9-62.7-60.3000114.3K27 T28 G29 L39 Y328K27-Y31 HydrophobicContact CB-CE2 4.36Å; K27-Y31 WeakPolarHBondContact O-CD2 3.4Å; K27-Y31 PolarHBondContact O-N 2.94Å; K27-Y31 VanDerWaalsContact O-N 3.16Å; T28-Y31 PolarHBondContact O-N 3.48Å; T28-Y31 VanDerWaalsContact O-N 3.1Å; G29-Y31 VanDerWaalsContact C-N 3.25Å; G29-Y31 PolarHBondContact O-N 2.95Å; Y31-L39 HydrophobicContact CD1-CD1 4.22Å; Y31-L39 HydrophobicContact CE1-CD1 4.2Å; Y31-Y328 HydrophobicContact CD1-CD2 4.33Å; Y31-Y328 AromaticContact CD1-CE2 3.74Å; Y31-Y328 HydrophobicContact CD1-CE2 3.74Å; Y31-Y328 HydrophobicContact CE1-CE2 4.21Å; Y31-Y328 HydrophobicContact CG-CE2 4.33Å
32T68.9Low75.9Confident84 Ų8463.7 Ų63.752%0.51531%0.31SS..Hα-helixtrans-98.2-15179.560.70000114T28T28-T32 HydrophobicContact CG2-CG2 3.88Å; T28-T32 WeakPolarHBondContact O-CB 3.33Å; T28-T32 VanDerWaalsContact O-CG2 3.3Å; T28-T32 WeakPolarHBondContact O-CG2 3.31Å; T28-T32 PolarHBondContact O-N 3Å; T28-T32 PolarHBondContact O-OG1 3.39Å
33H75Confident76.3Confident52 Ų5260 Ų6024%0.24129%0.289CS..SBendtrans-108.8148.4177.8-68.7-98.4000110.5Y14 L18 G29 F35Y14-H33 HydrophobicContact CE1-CB 4.13Å; Y14-H33 AromaticContact CE1-CG 3.92Å; Y14-H33 AromaticContact CE1-ND1 3.62Å; Y14-H33 AromaticContact CZ-ND1 3.76Å; Y14-H33 PolarHBondContact OH-CE1 3.29Å; Y14-H33 PolarHBondContact OH-ND1 3.28Å; L18-H33 WeakPolarHBondContact CD1-NE2 3.26Å; G29-H33 PolarHBondContact O-CD2 3.2Å; G29-H33 PolarHBondContact O-N 3Å; H33-F35 HydrophobicContact CB-CD2 4.46Å; H33-F35 HydrophobicContact CB-CE2 3.78Å; H33-F35 HydrophobicContact CB-CZ 4.04Å; H33-F35 VanDerWaalsContact O-CD2 3.23Å; H33-F35 WeakPolarHBondContact O-CD2 3.2Å; H33-F35 PolarHBondContact O-N 3.44Å
34N76.7Confident77.1Confident121 Ų12159.8 Ų59.865%0.64729%0.293SS*.  trans-80.7115.6179.1-64.5-8.3000109.4
35F82Confident78.2Confident11 Ų1159 Ų595%0.04829%0.287CS..  trans-114.1142174.2-64-78.9000109.6E11 Y14 L15 G29 L30 H33 L39 I42E11-F35 HydrophobicContact CB-CD1 3.76Å; E11-F35 HydrophobicContact CB-CE1 4.21Å; E11-F35 HydrophobicContact CG-CD1 3.92Å; Y14-F35 AromaticContact CD1-CE1 3.84Å; Y14-F35 HydrophobicContact CD1-CE1 3.84Å; Y14-F35 HydrophobicContact CD1-CZ 4.08Å; L15-F35 HydrophobicContact CB-CE1 4.35Å; L15-F35 HydrophobicContact CB-CZ 4.11Å; L15-F35 HydrophobicContact CD1-CZ 4.2Å; G29-F35 WeakPolarHBondContact O-CE2 3.47Å; L30-F35 WeakPolarHBondContact O-CD2 3.38Å; H33-F35 HydrophobicContact CB-CD2 4.46Å; H33-F35 HydrophobicContact CB-CE2 3.78Å; H33-F35 HydrophobicContact CB-CZ 4.04Å; H33-F35 VanDerWaalsContact O-CD2 3.23Å; H33-F35 WeakPolarHBondContact O-CD2 3.2Å; H33-F35 PolarHBondContact O-N 3.44Å; F35-L39 HydrophobicContact CB-CD2 3.78Å; F35-L39 HydrophobicContact CD2-CD2 3.71Å; F35-L39 HydrophobicContact CG-CD2 4.07Å; F35-I42 HydrophobicContact CB-CD1 3.54Å; F35-I42 HydrophobicContact CD1-CD1 3.8Å; F35-I42 HydrophobicContact CE1-CG2 4.43Å; F35-I42 HydrophobicContact CG-CD1 3.74Å
36T81.1Confident79.5Confident67 Ų6756.1 Ų56.141%0.41128%0.276SS..SBendtrans-92.7-27.5-179.766.50000112.1I7 E11I7-T36 WeakPolarHBondContact CG2-OG1 3.35Å; E11-T36 WeakPolarHBondContact OE1-CB 3.44Å; E11-T36 PolarHBondContact OE1-N 3.33Å; E11-T36 PolarHBondContact OE1-OG1 2.65Å; E11-T36 PolarHBondContact OE2-N 3.25Å
37C82.9Confident80Confident23 Ų2356.1 Ų56.116%0.15528%0.278CS..SBendtrans-84.9165.7175.9-69.90000112.2I7 L8 E11 L39 I42I7-C37 VanDerWaalsContact CG2-SG 3.59Å; L8-C37 HydrophobicContact CB-CB 4.5Å; L8-C37 HydrophobicContact CD1-CB 4.05Å; E11-C37 WeakPolarHBondContact OE2-CB 3.34Å; E11-C37 PolarHBondContact OE2-N 3.27Å; C37-L39 PolarHBondContact O-N 3.15Å; C37-L39 VanDerWaalsContact O-N 3.14Å; C37-I42 HydrophobicContact CB-CD1 3.94Å; C37-I42 HydrophobicContact CB-CG1 4.12Å
38N81.3Confident80.7Confident67 Ų6756.6 Ų56.636%0.35828%0.28SS..  trans-57.5118.7176.6-178.9-66.7000111.9R40 K41 I42N38-R40 VanDerWaalsContact C-N 3.26Å; N38-R40 PolarHBondContact O-N 3.17Å; N38-R40 WeakPolarHBondContact OD1-CA 3.34Å; N38-R40 VanDerWaalsContact OD1-CB 3.28Å; N38-R40 WeakPolarHBondContact OD1-CB 3.42Å; N38-R40 PolarHBondContact OD1-N 2.72Å; N38-K41 HydrophobicContact CB-CB 4.36Å; N38-K41 HydrophobicContact CB-CD 4.22Å; N38-K41 HydrophobicContact CB-CG 4.17Å; N38-K41 WeakPolarHBondContact O-CB 3.3Å; N38-K41 PolarHBondContact O-N 3.15Å; N38-K41 PolarHBondContact OD1-N 3.29Å; N38-I42 WeakPolarHBondContact O-CG1 3.1Å; N38-I42 PolarHBondContact O-N 2.69Å; N38-I42 VanDerWaalsContact O-N 3.08Å
39L82.1Confident81.8Confident48 Ų4854.5 Ų54.525%0.25127%0.267SS..Hα-helixtrans-56-34.8-177.8-63.8-177.6000113.6L30 Y31 F35 C37 I42 Y43L30-L39 HydrophobicContact CD1-CB 4.11Å; L30-L39 HydrophobicContact CD1-CD2 3.9Å; L30-L39 HydrophobicContact CD2-CB 4.23Å; L30-L39 HydrophobicContact CG-CB 4.19Å; L30-L39 HydrophobicContact CG-CD2 4.1Å; Y31-L39 HydrophobicContact CD1-CD1 4.22Å; Y31-L39 HydrophobicContact CE1-CD1 4.2Å; F35-L39 HydrophobicContact CB-CD2 3.78Å; F35-L39 HydrophobicContact CD2-CD2 3.71Å; F35-L39 HydrophobicContact CG-CD2 4.07Å; C37-L39 PolarHBondContact O-N 3.15Å; C37-L39 VanDerWaalsContact O-N 3.14Å; L39-I42 HydrophobicContact CD2-CD1 4.36Å; L39-I42 PolarHBondContact O-N 2.66Å; L39-Y43 WeakPolarHBondContact O-CB 3.45Å; L39-Y43 PolarHBondContact O-N 3.09Å
40R76.1Confident82.3Confident176 Ų17655.7 Ų55.766%0.66427%0.274SS*.Hα-helixtrans-66.1-40.6177.1-61.1-177.4-179.8175-1.9111.2N38 A44N38-R40 VanDerWaalsContact C-N 3.26Å; N38-R40 PolarHBondContact O-N 3.17Å; N38-R40 WeakPolarHBondContact OD1-CA 3.34Å; N38-R40 VanDerWaalsContact OD1-CB 3.28Å; N38-R40 WeakPolarHBondContact OD1-CB 3.42Å; N38-R40 PolarHBondContact OD1-N 2.72Å; R40-A44 WeakPolarHBondContact O-CB 3.35Å; R40-A44 PolarHBondContact O-N 3.21Å
41K85.3Confident82.5Confident131 Ų13161.7 Ų61.757%0.5731%0.306SS*.Hα-helixtrans-65.5-44.2176.3-67.5-175.5-179.8175.20111.2L8 N38 L45L8-K41 HydrophobicContact CD1-CB 3.87Å; L8-K41 HydrophobicContact CD2-CB 4.48Å; N38-K41 HydrophobicContact CB-CB 4.36Å; N38-K41 HydrophobicContact CB-CD 4.22Å; N38-K41 HydrophobicContact CB-CG 4.17Å; N38-K41 WeakPolarHBondContact O-CB 3.3Å; N38-K41 PolarHBondContact O-N 3.15Å; N38-K41 PolarHBondContact OD1-N 3.29Å; K41-L45 VanDerWaalsContact O-CB 3.29Å; K41-L45 WeakPolarHBondContact O-CB 3.17Å; K41-L45 PolarHBondContact O-N 2.77Å
42I86.1Confident82.9Confident0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-60.6-51.5175.7-62170.5000110L8 E11 A12 L15 L30 F35 C37 N38 L39 A44 L45 A46L8-I42 HydrophobicContact CD1-CG1 3.82Å; E11-I42 HydrophobicContact CB-CD1 4.1Å; E11-I42 HydrophobicContact CB-CG1 4.4Å; E11-I42 VanDerWaalsContact OE2-CD1 3.22Å; E11-I42 WeakPolarHBondContact OE2-CD1 3.42Å; A12-I42 HydrophobicContact CB-CG2 4.48Å; L15-I42 HydrophobicContact CB-CG2 4.38Å; L15-I42 HydrophobicContact CD2-CG2 3.75Å; L30-I42 HydrophobicContact CD1-CB 4.1Å; L30-I42 HydrophobicContact CD1-CG2 3.89Å; F35-I42 HydrophobicContact CB-CD1 3.54Å; F35-I42 HydrophobicContact CD1-CD1 3.8Å; F35-I42 HydrophobicContact CE1-CG2 4.43Å; F35-I42 HydrophobicContact CG-CD1 3.74Å; C37-I42 HydrophobicContact CB-CD1 3.94Å; C37-I42 HydrophobicContact CB-CG1 4.12Å; N38-I42 WeakPolarHBondContact O-CG1 3.1Å; N38-I42 PolarHBondContact O-N 2.69Å; N38-I42 VanDerWaalsContact O-N 3.08Å; L39-I42 HydrophobicContact CD2-CD1 4.36Å; L39-I42 PolarHBondContact O-N 2.66Å; I42-A44 PolarHBondContact O-N 2.88Å; I42-L45 PolarHBondContact O-N 2.98Å; I42-A46 WeakPolarHBondContact O-CB 3.46Å; I42-A46 PolarHBondContact O-N 3.41Å
43Y84.9Confident83.8Confident77 Ų7755.3 Ų55.330%0.30228%0.275SS..Hα-helixtrans-58.8-48.9179.3-179-99.1000111.7L26 K27 L30 L39 L45 A46 S47L26-Y43 HydrophobicContact CD1-CD2 4.45Å; L26-Y43 HydrophobicContact CD2-CD2 3.77Å; L26-Y43 HydrophobicContact CD2-CE2 3.36Å; L26-Y43 HydrophobicContact CG-CD2 3.78Å; L26-Y43 HydrophobicContact CG-CE2 3.62Å; K27-Y43 HydrophobicContact CG-CE2 3.79Å; L30-Y43 HydrophobicContact CD2-CD2 3.87Å; L30-Y43 HydrophobicContact CD2-CG 4.12Å; L39-Y43 WeakPolarHBondContact O-CB 3.45Å; L39-Y43 PolarHBondContact O-N 3.09Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 2.62Å; Y43-A46 PolarHBondContact O-N 2.83Å; Y43-S47 WeakPolarHBondContact O-CA 3.37Å; Y43-S47 WeakPolarHBondContact O-CB 2.89Å; Y43-S47 PolarHBondContact O-N 2.77Å
44A83.8Confident84.2Confident42 Ų4254.7 Ų54.735%0.34728%0.283SS..Hα-helixtrans-60.7-44.1-18000000111.5R40 I42 K48R40-A44 WeakPolarHBondContact O-CB 3.35Å; R40-A44 PolarHBondContact O-N 3.21Å; I42-A44 PolarHBondContact O-N 2.88Å; A44-K48 WeakPolarHBondContact O-CB 3.48Å; A44-K48 WeakPolarHBondContact O-CG 3.25Å; A44-K48 PolarHBondContact O-N 2.89Å; A44-K48 VanDerWaalsContact O-N 3.14Å
45L88.9Confident84.7Confident8 Ų851.1 Ų51.14%0.04226%0.263CS..Hα-helixtrans-70.1-46.5-179.8-176.655.8000111.8L8 Y9 A12 K41 I42 Y43 T49 V97 D101L8-L45 HydrophobicContact CG-CD2 4.46Å; Y9-L45 HydrophobicContact CD1-CD2 3.92Å; Y9-L45 HydrophobicContact CE1-CD2 3.97Å; A12-L45 HydrophobicContact CB-CB 4.16Å; A12-L45 HydrophobicContact CB-CD2 3.74Å; A12-L45 HydrophobicContact CB-CG 3.92Å; K41-L45 VanDerWaalsContact O-CB 3.29Å; K41-L45 WeakPolarHBondContact O-CB 3.17Å; K41-L45 PolarHBondContact O-N 2.77Å; I42-L45 PolarHBondContact O-N 2.98Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 2.62Å; L45-T49 VanDerWaalsContact O-CB 3.3Å; L45-T49 WeakPolarHBondContact O-CB 3.15Å; L45-T49 PolarHBondContact O-N 2.87Å; L45-T49 PolarHBondContact O-OG1 3.2Å; L45-V97 HydrophobicContact CD1-CG1 3.88Å; L45-V97 HydrophobicContact CD2-CG1 3.58Å; L45-V97 HydrophobicContact CG-CG1 3.55Å; L45-D101 HydrophobicContact CD1-CB 4.32Å; L45-D101 WeakPolarHBondContact CD1-OD1 3.48Å
46A89.7Confident85.1Confident0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-65.8-44.5178.200000112.1L15 V16 L26 I42 Y43 T49 L50L15-A46 HydrophobicContact CB-CB 4.31Å; L15-A46 HydrophobicContact CD2-CB 3.91Å; L15-A46 HydrophobicContact CG-CB 4.2Å; V16-A46 HydrophobicContact CG2-CB 3.84Å; L26-A46 HydrophobicContact CD1-CB 3.79Å; I42-A46 WeakPolarHBondContact O-CB 3.46Å; I42-A46 PolarHBondContact O-N 3.41Å; Y43-A46 PolarHBondContact O-N 2.83Å; A46-T49 PolarHBondContact O-N 2.64Å; A46-L50 WeakPolarHBondContact O-CB 3.35Å; A46-L50 VanDerWaalsContact O-CG 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.21Å; A46-L50 PolarHBondContact O-N 3.2Å
47S85.8Confident85.4Confident24 Ų2450.4 Ų50.417%0.16826%0.257CS..Hα-helixtrans-59.2-51.3177.3-171.80000111.7Y43 T49 L50 N51Y43-S47 WeakPolarHBondContact O-CA 3.37Å; Y43-S47 WeakPolarHBondContact O-CB 2.89Å; Y43-S47 PolarHBondContact O-N 2.77Å; S47-T49 VanDerWaalsContact C-N 3.32Å; S47-T49 PolarHBondContact O-N 2.9Å; S47-L50 PolarHBondContact O-N 3.04Å; S47-N51 VanDerWaalsContact O-CG 3.27Å; S47-N51 PolarHBondContact O-N 2.75Å; S47-N51 PolarHBondContact O-ND2 2.92Å
48K87.4Confident85.6Confident118 Ų11852.2 Ų52.251%0.51326%0.263SS..Hα-helixtrans-64.4-37.6179.1-68.2177.6177.9-175.90111.9A44 N51 S52 H100A44-K48 WeakPolarHBondContact O-CB 3.48Å; A44-K48 WeakPolarHBondContact O-CG 3.25Å; A44-K48 PolarHBondContact O-N 2.89Å; A44-K48 VanDerWaalsContact O-N 3.14Å; K48-N51 PolarHBondContact O-N 3.14Å; K48-S52 WeakPolarHBondContact O-CB 3.23Å; K48-S52 PolarHBondContact O-N 3.22Å; K48-S52 PolarHBondContact O-OG 2.85Å; K48-S52 VanDerWaalsContact O-OG 3.06Å; K48-H100 VanDerWaalsContact C-NE2 3.28Å; K48-H100 VanDerWaalsContact CB-CE1 3.41Å; K48-H100 WeakPolarHBondContact CB-CE1 3.35Å; K48-H100 VanDerWaalsContact CB-NE2 3.32Å; K48-H100 WeakPolarHBondContact CB-NE2 3.46Å; K48-H100 PolarHBondContact O-CD2 2.96Å; K48-H100 PolarHBondContact O-NE2 3.31Å
49T90.5Very high86.1Confident0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-62.9-44.7173.3-56.80000111.6V16 L45 A46 S47 S52 Y53 L56 L96 V97 H100V16-T49 HydrophobicContact CG2-CG2 4.26Å; L45-T49 VanDerWaalsContact O-CB 3.3Å; L45-T49 WeakPolarHBondContact O-CB 3.15Å; L45-T49 PolarHBondContact O-N 2.87Å; L45-T49 PolarHBondContact O-OG1 3.2Å; A46-T49 PolarHBondContact O-N 2.64Å; S47-T49 VanDerWaalsContact C-N 3.32Å; S47-T49 PolarHBondContact O-N 2.9Å; T49-S52 CarbonylContact O-C 3.4Å; T49-S52 PolarHBondContact O-N 3.33Å; T49-Y53 WeakPolarHBondContact O-CA 3.42Å; T49-Y53 PolarHBondContact O-N 2.93Å; T49-L56 HydrophobicContact CG2-CD1 4.16Å; T49-L96 HydrophobicContact CG2-CB 4.29Å; T49-V97 HydrophobicContact CG2-CG2 3.94Å; T49-H100 HydrophobicContact CG2-CB 4.2Å
50L84.7Confident86.5Confident26 Ų2646.9 Ų46.914%0.13624%0.235CC..Hα-helixtrans-63.7-40.2177.8-74.8167.1000112.3V16 V19 K20 L26 A46 S47 S52 Y53V16-L50 HydrophobicContact CG1-CD2 4.01Å; V16-L50 HydrophobicContact CG2-CG 4.22Å; V19-L50 HydrophobicContact CB-CD1 4.13Å; V19-L50 HydrophobicContact CB-CD2 4.24Å; V19-L50 HydrophobicContact CG1-CD1 3.89Å; V19-L50 HydrophobicContact CG1-CD2 3.94Å; V19-L50 HydrophobicContact CG2-CD1 4.19Å; K20-L50 HydrophobicContact CD-CD2 4.29Å; K20-L50 HydrophobicContact CG-CD2 4.09Å; L26-L50 HydrophobicContact CB-CD1 4.38Å; L26-L50 HydrophobicContact CD1-CD1 3.87Å; L26-L50 HydrophobicContact CD2-CD1 4.23Å; L26-L50 HydrophobicContact CG-CD1 4.39Å; A46-L50 WeakPolarHBondContact O-CB 3.35Å; A46-L50 VanDerWaalsContact O-CG 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.21Å; A46-L50 PolarHBondContact O-N 3.2Å; S47-L50 PolarHBondContact O-N 3.04Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 2.99Å
51N82.8Confident87.1Confident130 Ų13045.2 Ų45.270%0.69523%0.232SC*.Hα-helixtrans-65-37.6176.4-69.7-16000111.8S47 K48 Y53S47-N51 VanDerWaalsContact O-CG 3.27Å; S47-N51 PolarHBondContact O-N 2.75Å; S47-N51 PolarHBondContact O-ND2 2.92Å; K48-N51 PolarHBondContact O-N 3.14Å; N51-Y53 VanDerWaalsContact C-N 3.35Å
52S85.4Confident87.3Confident21 Ų2144.3 Ų44.315%0.14723%0.228CC..Hα-helixtrans-87.6-2.9179.2-54.30000113.6K48 T49 L50 G54 I55 L56 I104K48-S52 WeakPolarHBondContact O-CB 3.23Å; K48-S52 PolarHBondContact O-N 3.22Å; K48-S52 PolarHBondContact O-OG 2.85Å; K48-S52 VanDerWaalsContact O-OG 3.06Å; T49-S52 CarbonylContact O-C 3.4Å; T49-S52 PolarHBondContact O-N 3.33Å; L50-S52 VanDerWaalsContact C-N 3.32Å; S52-G54 VanDerWaalsContact C-N 3.3Å; S52-G54 PolarHBondContact O-N 2.93Å; S52-G54 VanDerWaalsContact O-N 3.12Å; S52-I55 PolarHBondContact O-N 2.88Å; S52-L56 WeakPolarHBondContact O-CG 3.49Å; S52-L56 PolarHBondContact O-N 2.86Å; S52-I104 WeakPolarHBondContact OG-CD1 3.23Å
53Y87.4Confident87.6Confident20 Ų2044.6 Ų44.68%0.07823%0.231CC..Hα-helixtrans-52.3-43.8-166.7-168.4-90.6000113.6V16 K20 T49 L50 N51 L56 L57 L96V16-Y53 HydrophobicContact CG1-CE2 4.36Å; K20-Y53 HydrophobicContact CD-CD1 4.34Å; K20-Y53 HydrophobicContact CD-CD2 4.28Å; K20-Y53 HydrophobicContact CD-CE1 3.96Å; K20-Y53 HydrophobicContact CD-CE2 3.88Å; K20-Y53 HydrophobicContact CD-CG 4.49Å; K20-Y53 VanDerWaalsContact CE-CD1 3.5Å; K20-Y53 VanDerWaalsContact CE-CE2 3.45Å; K20-Y53 HydrophobicContact CG-CD2 4.33Å; K20-Y53 HydrophobicContact CG-CE2 3.67Å; T49-Y53 WeakPolarHBondContact O-CA 3.42Å; T49-Y53 PolarHBondContact O-N 2.93Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 2.99Å; N51-Y53 VanDerWaalsContact C-N 3.35Å; Y53-L56 PolarHBondContact O-N 3.43Å; Y53-L57 HydrophobicContact CD1-CD1 3.79Å; Y53-L57 HydrophobicContact CD1-CG 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.45Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.45Å; Y53-L57 HydrophobicContact CE1-CD2 4.42Å; Y53-L57 HydrophobicContact CE1-CG 3.92Å; Y53-L57 WeakPolarHBondContact O-CG 3.48Å; Y53-L57 PolarHBondContact O-N 2.91Å; Y53-L96 HydrophobicContact CD2-CD1 3.62Å; Y53-L96 HydrophobicContact CE2-CD1 3.09Å
54G83.2Confident87.7Confident39 Ų3947.4 Ų47.440%0.40225%0.251SS..Hα-helixtrans-65.8-38.2179.600000113.7S52 Q58S52-G54 VanDerWaalsContact C-N 3.3Å; S52-G54 PolarHBondContact O-N 2.93Å; S52-G54 VanDerWaalsContact O-N 3.12Å; G54-Q58 WeakPolarHBondContact O-CG 3.16Å; G54-Q58 PolarHBondContact O-N 3.02Å; G54-Q58 PolarHBondContact O-NE2 2.97Å
55I87.1Confident87.9Confident46 Ų4646.8 Ų46.824%0.23624%0.242CC..Hα-helixtrans-69.7-40.8176.6-65.2170.8000109.7S52 Q58 T59 Y135 V138S52-I55 PolarHBondContact O-N 2.88Å; I55-Q58 PolarHBondContact O-N 3.43Å; I55-T59 WeakPolarHBondContact O-CB 3.4Å; I55-T59 PolarHBondContact O-N 2.89Å; I55-T59 PolarHBondContact O-OG1 3.35Å; I55-Y135 HydrophobicContact CG2-CD2 4.11Å; I55-Y135 HydrophobicContact CG2-CE2 3.7Å; I55-V138 HydrophobicContact CG2-CG1 4.02Å
56L90.7Very high87.4Confident0 Ų051.6 Ų51.60%026%0.264CS..Hα-helixtrans-64.1-42.2178-64176000111.8T49 S52 Y53 Q58 T59 L60 L96 I99 H100 I104T49-L56 HydrophobicContact CG2-CD1 4.16Å; S52-L56 WeakPolarHBondContact O-CG 3.49Å; S52-L56 PolarHBondContact O-N 2.86Å; Y53-L56 PolarHBondContact O-N 3.43Å; L56-Q58 PolarHBondContact O-N 3.37Å; L56-T59 WeakPolarHBondContact O-CB 3.42Å; L56-T59 PolarHBondContact O-N 2.94Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 3.34Å; L56-L96 HydrophobicContact CB-CD2 3.67Å; L56-L96 HydrophobicContact CD1-CD2 4.47Å; L56-I99 HydrophobicContact CB-CD1 4.13Å; L56-I99 HydrophobicContact CD2-CD1 4.13Å; L56-I99 HydrophobicContact CD2-CG1 4.06Å; L56-H100 HydrophobicContact CD1-CB 3.75Å; L56-I104 HydrophobicContact CD2-CD1 4.09Å
57L88.1Confident86.3Confident62 Ų6254 Ų5433%0.32528%0.28SS..Hα-helixtrans-61-43.5174-76.4-176.2000112.9Y53 T59 L60 K61 H92 L96Y53-L57 HydrophobicContact CD1-CD1 3.79Å; Y53-L57 HydrophobicContact CD1-CG 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.45Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.45Å; Y53-L57 HydrophobicContact CE1-CD2 4.42Å; Y53-L57 HydrophobicContact CE1-CG 3.92Å; Y53-L57 WeakPolarHBondContact O-CG 3.48Å; Y53-L57 PolarHBondContact O-N 2.91Å; L57-T59 VanDerWaalsContact C-N 3.28Å; L57-T59 PolarHBondContact O-N 3.46Å; L57-L60 PolarHBondContact O-N 3.12Å; L57-K61 PolarHBondContact O-N 3.48Å; L57-H92 VanDerWaalsContact CD2-CE1 3.5Å; L57-H92 WeakPolarHBondContact CD2-CE1 3.44Å; L57-H92 VanDerWaalsContact CD2-NE2 3.32Å; L57-H92 WeakPolarHBondContact CD2-NE2 3.19Å; L57-L96 HydrophobicContact CD2-CD1 4.49Å; L57-L96 HydrophobicContact CD2-CD2 4.44Å
58Q86.2Confident85.3Confident61 Ų6159.9 Ų59.929%0.28532%0.315SS..Hα-helixtrans-65.2-36.5176.3-72.2173.150.300111.8G54 I55 L56 K61 K62 V138G54-Q58 WeakPolarHBondContact O-CG 3.16Å; G54-Q58 PolarHBondContact O-N 3.02Å; G54-Q58 PolarHBondContact O-NE2 2.97Å; I55-Q58 PolarHBondContact O-N 3.43Å; L56-Q58 PolarHBondContact O-N 3.37Å; Q58-K61 PolarHBondContact O-N 2.99Å; Q58-K62 WeakPolarHBondContact O-CB 3.1Å; Q58-K62 PolarHBondContact O-N 2.97Å; Q58-V138 HydrophobicContact CB-CG1 3.7Å; Q58-V138 HydrophobicContact CB-CG2 4.17Å
59T92Very high84.2Confident0 Ų059.2 Ų59.20%032%0.321CS..Hα-helixtrans-61.8-47.2174.5-59.90000110.7I55 L56 L57 K61 K62 A63 L103 L131 A134I55-T59 WeakPolarHBondContact O-CB 3.4Å; I55-T59 PolarHBondContact O-N 2.89Å; I55-T59 PolarHBondContact O-OG1 3.35Å; L56-T59 WeakPolarHBondContact O-CB 3.42Å; L56-T59 PolarHBondContact O-N 2.94Å; L57-T59 VanDerWaalsContact C-N 3.28Å; L57-T59 PolarHBondContact O-N 3.46Å; T59-K61 PolarHBondContact O-N 2.8Å; T59-K62 PolarHBondContact O-N 3.37Å; T59-A63 VanDerWaalsContact O-CB 3.28Å; T59-A63 WeakPolarHBondContact O-CB 3.34Å; T59-A63 PolarHBondContact O-N 3.1Å; T59-L103 HydrophobicContact CG2-CD1 4.07Å; T59-L131 HydrophobicContact CG2-CD2 4.24Å; T59-A134 HydrophobicContact CG2-CB 4Å; T59-A134 WeakPolarHBondContact O-CB 3.16Å
60L91.3Very high83.2Confident3 Ų368.6 Ų68.62%0.01636%0.362CS..Hα-helixtrans-60.4-45.6175.9-72.4-179.8000112.3L56 L57 K62 A63 N64 L65 F95 L96 I99 L131L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 3.34Å; L57-L60 PolarHBondContact O-N 3.12Å; L60-K62 PolarHBondContact O-N 3.38Å; L60-A63 PolarHBondContact O-N 3.24Å; L60-N64 PolarHBondContact O-N 3.09Å; L60-L65 HydrophobicContact CD2-CB 4.22Å; L60-L65 PolarHBondContact O-N 3.15Å; L60-F95 HydrophobicContact CD1-CD1 4.29Å; L60-F95 HydrophobicContact CD1-CE1 4.47Å; L60-F95 HydrophobicContact CD2-CD1 3.89Å; L60-F95 HydrophobicContact CD2-CE1 3.3Å; L60-F95 HydrophobicContact CD2-CZ 3.88Å; L60-L96 HydrophobicContact CD1-CD2 3.7Å; L60-L96 HydrophobicContact CD1-CG 4.49Å; L60-I99 HydrophobicContact CD1-CD1 4.21Å; L60-I99 HydrophobicContact CD2-CD1 3.79Å; L60-I99 HydrophobicContact CG-CD1 3.81Å; L60-L131 HydrophobicContact CD2-CD2 3.79Å
61K88.2Confident82.6Confident142 Ų14270.7 Ų70.762%0.61737%0.372SS*.Hα-helixtrans-59.7-46.8177.1-174.5176.2-178.7179.30111.3L57 Q58 T59 A63 N64L57-K61 PolarHBondContact O-N 3.48Å; Q58-K61 PolarHBondContact O-N 2.99Å; T59-K61 PolarHBondContact O-N 2.8Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 2.92Å; K61-N64 PolarHBondContact O-N 3.28Å; K61-N64 VanDerWaalsContact O-N 3.16Å; K61-N64 PolarHBondContact O-OD1 3.2Å
62K89.6Confident82.2Confident111 Ų11173.1 Ų73.148%0.48338%0.377SS..Hα-helixtrans-69.5-29.7179.7-175.3164.7-169.3149.70113.1Q58 T59 L60 N64 A134 S137 V138Q58-K62 WeakPolarHBondContact O-CB 3.1Å; Q58-K62 PolarHBondContact O-N 2.97Å; T59-K62 PolarHBondContact O-N 3.37Å; L60-K62 PolarHBondContact O-N 3.38Å; K62-N64 PolarHBondContact O-N 3.02Å; K62-A134 HydrophobicContact CB-CB 3.99Å; K62-A134 HydrophobicContact CG-CB 4.02Å; K62-S137 WeakPolarHBondContact CE-OG 3.45Å; K62-S137 PolarHBondContact NZ-OG 3.07Å; K62-V138 HydrophobicContact CB-CG2 4.31Å; K62-V138 HydrophobicContact CD-CG2 3.96Å
63A91.2Very high82Confident7 Ų774.3 Ų74.36%0.05838%0.379CS..THydrogen-bonded Turntrans-78.4-4.1173.900000113.4T59 L60 K61 L65 K130 L131 A134T59-A63 VanDerWaalsContact O-CB 3.28Å; T59-A63 WeakPolarHBondContact O-CB 3.34Å; T59-A63 PolarHBondContact O-N 3.1Å; L60-A63 PolarHBondContact O-N 3.24Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 2.92Å; A63-L65 HydrophobicContact CB-CB 4.41Å; A63-L65 HydrophobicContact CB-CD1 4.01Å; A63-L65 HydrophobicContact CB-CG 4.16Å; A63-L65 PolarHBondContact O-N 3.38Å; A63-K130 HydrophobicContact CB-CB 4.17Å; A63-L131 HydrophobicContact CB-CD2 4.07Å; A63-A134 HydrophobicContact CB-CB 3.9Å
64N88.4Confident81.3Confident136 Ų13675.5 Ų75.573%0.72739%0.387SS*.THydrogen-bonded Turntrans55.734.1-170.5-62.7-31.9000113.3L60 K61 K62L60-N64 PolarHBondContact O-N 3.09Å; K61-N64 PolarHBondContact O-N 3.28Å; K61-N64 VanDerWaalsContact O-N 3.16Å; K61-N64 PolarHBondContact O-OD1 3.2Å; K62-N64 PolarHBondContact O-N 3.02Å
65L87.4Confident80.5Confident29 Ų2976.7 Ų76.715%0.15239%0.389CS..  trans-113.828.1179.5-66.4172000111.9L60 A63 F95 T122 A127 L131L60-L65 HydrophobicContact CD2-CB 4.22Å; L60-L65 PolarHBondContact O-N 3.15Å; A63-L65 HydrophobicContact CB-CB 4.41Å; A63-L65 HydrophobicContact CB-CD1 4.01Å; A63-L65 HydrophobicContact CB-CG 4.16Å; A63-L65 PolarHBondContact O-N 3.38Å; L65-F95 HydrophobicContact CB-CE1 4.38Å; L65-T122 HydrophobicContact CD1-CG2 4.45Å; L65-T122 HydrophobicContact CD2-CG2 4.16Å; L65-A127 HydrophobicContact CD1-CB 3.91Å; L65-L131 HydrophobicContact CD1-CD1 4.22Å; L65-L131 HydrophobicContact CD1-CD2 3.89Å; L65-L131 HydrophobicContact CD1-CG 3.76Å
66Q77.6Confident78.9Confident109 Ų10979.1 Ų79.151%0.50941%0.41SS..  trans-75.3148.1176.963.7-167.2-14.300111.1T68Q66-T68 PolarHBondContact O-N 3.35Å
67P68.3Low76.7Confident51 Ų5188.6 Ų88.633%0.33145%0.452SS..  trans-58.9135.3171.5-19.731.1000110.9T69 I71 H92P67-T69 VanDerWaalsContact C-N 3.26Å; P67-I71 HydrophobicContact CB-CG1 4.46Å; P67-I71 HydrophobicContact CG-CD1 4.4Å; P67-I71 HydrophobicContact CG-CG1 4.13Å; P67-H92 HydrophobicContact CG-CB 4.45Å; P67-H92 WeakPolarHBondContact CG-ND1 3.29Å
68T63.4Low74.7Confident146 Ų14689.5 Ų89.590%0.89646%0.463SS*.SBendtrans-72.8-21.7174.950.50000112.4Q66Q66-T68 PolarHBondContact O-N 3.35Å
69T65.1Low72.3Confident105 Ų10592.3 Ų92.364%0.64448%0.48SS*.SBendtrans-103.4153.1-178.554.10000112P67 I71P67-T69 VanDerWaalsContact C-N 3.26Å; T69-I71 PolarHBondContact O-N 3.37Å
70K69.6Low69.7Low197 Ų197101.8 Ų101.886%0.85752%0.524SS*.PPolyproline II helixtrans-57.8123.8172.3-76-176.8180176.10109.4K72K70-K72 PolarHBondContact O-N 3.17Å; K70-K72 VanDerWaalsContact O-N 3.17Å
71I71.9Confident67Low69 Ų69108.4 Ų108.435%0.35456%0.559SS.*PPolyproline II helixtrans-64.3116.2179.8-59.2157.4000109P67 T69 H73 H92P67-I71 HydrophobicContact CB-CG1 4.46Å; P67-I71 HydrophobicContact CG-CD1 4.4Å; P67-I71 HydrophobicContact CG-CG1 4.13Å; T69-I71 PolarHBondContact O-N 3.37Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.09Å; I71-H92 WeakPolarHBondContact CD1-NE2 3.43Å; I71-H92 HydrophobicContact CG1-CB 4.36Å; I71-H92 HydrophobicContact CG2-CB 4.08Å
72K75.2Confident64.5Low182 Ų182107.1 Ų107.179%0.79156%0.559SS**  trans-101.4103.1170-66.9-177.7-179.1179.20108.1K70K70-K72 PolarHBondContact O-N 3.17Å; K70-K72 VanDerWaalsContact O-N 3.17Å
73H79.5Confident62Low45 Ų45111.7 Ų111.721%0.20858%0.579CS.*  trans-73.7164.4168-63.6-67.8000110.1I71 S75 C93I71-H73 WeakPolarHBondContact CG2-NE2 3.09Å; H73-S75 PolarHBondContact O-N 3.49Å; H73-C93 PolarHBondContact CE1-SG 3.23Å; H73-C93 PolarHBondContact ND1-SG 2.75Å
74L74.2Confident59.5Low45 Ų45117.4 Ų117.424%0.23661%0.609CS.*  trans-53.4137167.5-70.1164.9000108.9Y14 C17 L18 G21 V23Y14-L74 HydrophobicContact CD2-CD1 3.53Å; Y14-L74 HydrophobicContact CE2-CD1 3.32Å; C17-L74 HydrophobicContact CB-CD1 4.18Å; C17-L74 PolarHBondContact SG-N 2.82Å; C17-L74 VanDerWaalsContact SG-N 3.37Å; L18-L74 HydrophobicContact CD2-CB 4.36Å; L18-L74 HydrophobicContact CD2-CD1 3.86Å; L18-L74 HydrophobicContact CG-CD1 4.25Å; G21-L74 WeakPolarHBondContact CA-O 3.32Å; V23-L74 HydrophobicContact CG2-CB 4.29Å; V23-L74 VanDerWaalsContact CG2-O 3.23Å; V23-L74 WeakPolarHBondContact CG2-O 3.26Å
75S65.5Low57.5Low64 Ų64118 Ų11845%0.44861%0.612SS.*  trans-130.1151.5178.570.20000109.3H73 K77 S78H73-S75 PolarHBondContact O-N 3.49Å; S75-K77 PolarHBondContact O-N 3.47Å; S75-S78 WeakPolarHBondContact O-CB 3.48Å; S75-S78 PolarHBondContact O-N 2.83Å
76S54Low55.7Low97 Ų97122.3 Ų122.368%0.67864%0.635SS**THydrogen-bonded Turntrans-58-10.4-177.2-51.80000114.9
77K45Very low54.9Low200 Ų200119 Ų11987%0.8762%0.622SS**THydrogen-bonded Turntrans-92.2-2177.8-69.9-172.5175.5-174.70114.3S75 N79S75-K77 PolarHBondContact O-N 3.47Å; K77-N79 PolarHBondContact O-N 3.39Å
78S44.5Very low55.1Low80 Ų80122.5 Ų122.556%0.55963%0.634SS**SBendtrans-89.591.1179.91710000111.1S75S75-S78 WeakPolarHBondContact O-CB 3.48Å; S75-S78 PolarHBondContact O-N 2.83Å
79N37Very low56Low120 Ų120116.7 Ų116.764%0.64260%0.599SS**  trans51.7110.5156.2-82.1-2000120.7K77 N81K77-N79 PolarHBondContact O-N 3.39Å; N79-N81 VanDerWaalsContact C-N 3.31Å
80H37.9Very low57Low199 Ų199112.8 Ų112.892%0.92158%0.576SS**SBendtrans-83.711.2155.4-103.6-63.3000114.1
81N33.6Very low57.8Low142 Ų142109 Ų10976%0.75956%0.564SS**  trans-125.724.2-169.9-83.61.2000116.5N79N79-N81 VanDerWaalsContact C-N 3.31Å
82N34.9Very low58.7Low115 Ų115106.1 Ų106.162%0.61555%0.549SS*.  trans-100.5116.8166.4-906.6000109.9D84N82-D84 PolarHBondContact O-N 3.29Å
83K37.8Very low59.5Low207 Ų20797.4 Ų97.490%0.951%0.511SS*.SBendtrans-70.7-5.1173.7-81.8-177.8173.31790113.5
84D39Very low60.1Low128 Ų12896.4 Ų96.468%0.68451%0.505SS*.SBendtrans-99.5101.9171.6-58.8-39000108.4N82 D86N82-D84 PolarHBondContact O-N 3.29Å; D84-D86 PolarHBondContact O-N 2.88Å
85N45.2Very low61Low149 Ų14994.8 Ų94.880%0.79750%0.496SS*.  trans-70.541.1-180-83.7-32.3000112.9V87N85-V87 PolarHBondContact O-N 2.72Å
86D51.4Low62.3Low119 Ų11991.7 Ų91.764%0.63648%0.475SS*.  trans-75.9114.2-179.2-92.2-20000111.3D84 H88D84-D86 PolarHBondContact O-N 2.88Å; D86-H88 PolarHBondContact O-N 3.33Å; D86-H88 IonicContact OD2-NE2 3.26Å
87V59.3Low64.2Low39 Ų3987.1 Ų87.124%0.23644%0.443CS..  trans-69.191.1178.4-179.10000109.3Y14 N85Y14-V87 HydrophobicContact CD1-CG1 3.43Å; Y14-V87 VanDerWaalsContact CD1-CG1 3.43Å; Y14-V87 HydrophobicContact CD2-CG1 3.63Å; Y14-V87 HydrophobicContact CE1-CG1 3.94Å; Y14-V87 HydrophobicContact CE2-CG1 4.12Å; Y14-V87 HydrophobicContact CG-CG1 3.25Å; N85-V87 PolarHBondContact O-N 2.72Å
88H73.8Confident66.5Low125 Ų12577.6 Ų77.658%0.57940%0.401SS*.  trans-109114.4-179.4-69.2-31.1000113.2D86D86-H88 PolarHBondContact O-N 3.33Å; D86-H88 IonicContact OD2-NE2 3.26Å
89S81.5Confident68.8Low24 Ų2473.8 Ų73.817%0.16838%0.375CS..  trans-81.4158.9166.878.70000111A13 Y14A13-S89 WeakPolarHBondContact CB-OG 3.1Å; A13-S89 WeakPolarHBondContact O-CB 3.36Å; Y14-S89 VanDerWaalsContact CA-CB 3.47Å; Y14-S89 VanDerWaalsContact N-CB 3.28Å
90C86.5Confident71.4Confident23 Ų2368.2 Ų68.216%0.15535%0.345CS..  trans-71.3147.516975.70000110.1H92 C93 Y94C90-H92 PolarHBondContact O-N 3.36Å; C90-C93 PolarHBondContact O-N 3.28Å; C90-C93 PolarHBondContact SG-N 2.82Å; C90-C93 VanDerWaalsContact SG-N 3.43Å; C90-Y94 PolarHBondContact O-N 2.89Å; C90-Y94 VanDerWaalsContact O-N 3.1Å
91I87.2Confident73.9Confident117 Ų11759.2 Ų59.260%0.630%0.303SS*.Hα-helixtrans-54.4-29.1-179.2-163.5160.7000112.8F95 V121I91-F95 VanDerWaalsContact O-CB 3.31Å; I91-F95 WeakPolarHBondContact O-CB 3.46Å; I91-F95 PolarHBondContact O-N 3.35Å; I91-V121 HydrophobicContact CD1-CG1 4.34Å; I91-V121 HydrophobicContact CG1-CG1 4.15Å
92H88.9Confident76.6Confident8 Ų853.3 Ų53.34%0.03727%0.272CS..Hα-helixtrans-67.3-46.3176.2-176.169.4000112.8L57 P67 I71 C90 Y94 F95 L96L57-H92 VanDerWaalsContact CD2-CE1 3.5Å; L57-H92 WeakPolarHBondContact CD2-CE1 3.44Å; L57-H92 VanDerWaalsContact CD2-NE2 3.32Å; L57-H92 WeakPolarHBondContact CD2-NE2 3.19Å; P67-H92 HydrophobicContact CG-CB 4.45Å; P67-H92 WeakPolarHBondContact CG-ND1 3.29Å; I71-H92 WeakPolarHBondContact CD1-NE2 3.43Å; I71-H92 HydrophobicContact CG1-CB 4.36Å; I71-H92 HydrophobicContact CG2-CB 4.08Å; C90-H92 PolarHBondContact O-N 3.36Å; H92-Y94 VanDerWaalsContact C-N 3.34Å; H92-F95 PolarHBondContact O-N 3.08Å; H92-L96 WeakPolarHBondContact NE2-CD1 3.38Å; H92-L96 VanDerWaalsContact O-CG 3.29Å; H92-L96 WeakPolarHBondContact O-CG 3.47Å; H92-L96 PolarHBondContact O-N 3.42Å
93C92.1Very high79.1Confident0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-65.7-40176.5-73.50000111.1A13 V16 C17 H73 C90 L96 V97A13-C93 HydrophobicContact CB-CB 4.48Å; A13-C93 WeakPolarHBondContact O-CB 3.19Å; V16-C93 HydrophobicContact CG1-CB 4.26Å; C17-C93 VanDerWaalsContact CA-SG 3.53Å; C17-C93 HydrophobicContact CB-CB 3.94Å; H73-C93 PolarHBondContact CE1-SG 3.23Å; H73-C93 PolarHBondContact ND1-SG 2.75Å; C90-C93 PolarHBondContact O-N 3.28Å; C90-C93 PolarHBondContact SG-N 2.82Å; C90-C93 VanDerWaalsContact SG-N 3.43Å; C93-L96 PolarHBondContact O-N 3.18Å; C93-V97 WeakPolarHBondContact O-CG2 3.18Å; C93-V97 PolarHBondContact O-N 3.38Å; C93-V97 VanDerWaalsContact O-N 3.09Å
94Y93Very high81.2Confident23 Ų2341.9 Ų41.99%0.0922%0.22CC..Hα-helixtrans-57.2-50.7173.3-175.5-116.7000111.5A13 C90 H92 L96 V97 L98 Q117 V121A13-Y94 VanDerWaalsContact CB-CA 3.43Å; A13-Y94 HydrophobicContact CB-CD2 4.09Å; C90-Y94 PolarHBondContact O-N 2.89Å; C90-Y94 VanDerWaalsContact O-N 3.1Å; H92-Y94 VanDerWaalsContact C-N 3.34Å; Y94-L96 VanDerWaalsContact C-N 3.31Å; Y94-L96 PolarHBondContact O-N 2.91Å; Y94-V97 PolarHBondContact O-N 2.77Å; Y94-L98 HydrophobicContact CD1-CD1 3.91Å; Y94-L98 HydrophobicContact CE1-CD1 3.55Å; Y94-L98 HydrophobicContact CE1-CG 4.31Å; Y94-L98 HydrophobicContact CE2-CD2 4.42Å; Y94-L98 HydrophobicContact CE2-CG 4.48Å; Y94-L98 WeakPolarHBondContact O-CG 3.39Å; Y94-L98 PolarHBondContact O-N 2.6Å; Y94-L98 VanDerWaalsContact O-N 3.09Å; Y94-Q117 PolarHBondContact OH-OE1 3.45Å; Y94-V121 HydrophobicContact CD1-CG2 4.18Å; Y94-V121 HydrophobicContact CE1-CG2 4.21Å
95F93Very high82.6Confident11 Ų1140.2 Ų40.25%0.04821%0.206CC..Hα-helixtrans-60.8-40.2179.1-169.8-149.5000112.5L60 L65 I91 H92 V97 L98 I99 I118 V121 T122 L131L60-F95 HydrophobicContact CD1-CD1 4.29Å; L60-F95 HydrophobicContact CD1-CE1 4.47Å; L60-F95 HydrophobicContact CD2-CD1 3.89Å; L60-F95 HydrophobicContact CD2-CE1 3.3Å; L60-F95 HydrophobicContact CD2-CZ 3.88Å; L65-F95 HydrophobicContact CB-CE1 4.38Å; I91-F95 VanDerWaalsContact O-CB 3.31Å; I91-F95 WeakPolarHBondContact O-CB 3.46Å; I91-F95 PolarHBondContact O-N 3.35Å; H92-F95 PolarHBondContact O-N 3.08Å; F95-V97 PolarHBondContact O-N 2.94Å; F95-L98 PolarHBondContact O-N 3.34Å; F95-I99 HydrophobicContact CD2-CG2 3.83Å; F95-I99 HydrophobicContact CE2-CG2 3.52Å; F95-I99 HydrophobicContact CZ-CG2 4.06Å; F95-I99 WeakPolarHBondContact O-CG1 3.04Å; F95-I99 WeakPolarHBondContact O-CG2 3.14Å; F95-I99 PolarHBondContact O-N 3.4Å; F95-I118 HydrophobicContact CE2-CG1 4.16Å; F95-I118 HydrophobicContact CE2-CG2 4.1Å; F95-V121 HydrophobicContact CB-CG1 4.19Å; F95-V121 HydrophobicContact CD1-CG1 4.44Å; F95-V121 HydrophobicContact CD2-CG1 4.08Å; F95-V121 HydrophobicContact CG-CG1 4.01Å; F95-T122 HydrophobicContact CE1-CG2 4.11Å; F95-T122 HydrophobicContact CE2-CG2 3.89Å; F95-T122 HydrophobicContact CZ-CG2 3.44Å; F95-T122 VanDerWaalsContact CZ-CG2 3.44Å; F95-L131 HydrophobicContact CE2-CD1 4.44Å; F95-L131 HydrophobicContact CZ-CD1 4.26Å
96L93.4Very high83.2Confident0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-61.7-41.2176.9-75.1177.6000113.3T49 Y53 L56 L57 L60 H92 C93 Y94 I99 H100T49-L96 HydrophobicContact CG2-CB 4.29Å; Y53-L96 HydrophobicContact CD2-CD1 3.62Å; Y53-L96 HydrophobicContact CE2-CD1 3.09Å; L56-L96 HydrophobicContact CB-CD2 3.67Å; L56-L96 HydrophobicContact CD1-CD2 4.47Å; L57-L96 HydrophobicContact CD2-CD1 4.49Å; L57-L96 HydrophobicContact CD2-CD2 4.44Å; L60-L96 HydrophobicContact CD1-CD2 3.7Å; L60-L96 HydrophobicContact CD1-CG 4.49Å; H92-L96 WeakPolarHBondContact NE2-CD1 3.38Å; H92-L96 VanDerWaalsContact O-CG 3.29Å; H92-L96 WeakPolarHBondContact O-CG 3.47Å; H92-L96 PolarHBondContact O-N 3.42Å; C93-L96 PolarHBondContact O-N 3.18Å; Y94-L96 VanDerWaalsContact C-N 3.31Å; Y94-L96 PolarHBondContact O-N 2.91Å; L96-I99 HydrophobicContact CD2-CD1 3.98Å; L96-I99 WeakPolarHBondContact O-CG1 3.37Å; L96-H100 VanDerWaalsContact O-CB 3.26Å; L96-H100 WeakPolarHBondContact O-CB 3.3Å; L96-H100 PolarHBondContact O-N 3.21Å
97V93.6Very high83.6Confident0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-66.3-42.7176.6-178.40000110.6Y9 A12 A13 V16 L45 T49 C93 Y94 F95 H100 D101Y9-V97 HydrophobicContact CD1-CG1 3.79Å; Y9-V97 HydrophobicContact CE1-CG1 4.43Å; A12-V97 HydrophobicContact CB-CG1 4.13Å; A13-V97 HydrophobicContact CB-CG2 3.98Å; V16-V97 HydrophobicContact CG2-CG2 4Å; L45-V97 HydrophobicContact CD1-CG1 3.88Å; L45-V97 HydrophobicContact CD2-CG1 3.58Å; L45-V97 HydrophobicContact CG-CG1 3.55Å; T49-V97 HydrophobicContact CG2-CG2 3.94Å; C93-V97 WeakPolarHBondContact O-CG2 3.18Å; C93-V97 PolarHBondContact O-N 3.38Å; C93-V97 VanDerWaalsContact O-N 3.09Å; Y94-V97 PolarHBondContact O-N 2.77Å; F95-V97 PolarHBondContact O-N 2.94Å; V97-H100 WeakPolarHBondContact O-CB 3.12Å; V97-H100 PolarHBondContact O-N 2.69Å; V97-D101 PolarHBondContact O-N 2.77Å; V97-D101 VanDerWaalsContact O-N 3.09Å
98L93.3Very high83.6Confident0 Ų050 Ų500%024%0.236CC..Hα-helixtrans-59.8-48.5176.9-66.3175.3000111.9Y9 Y94 F95 D101 L102 F113 L114 Q117 I118Y9-L98 HydrophobicContact CD1-CD2 3.84Å; Y9-L98 HydrophobicContact CD2-CD2 4.37Å; Y9-L98 HydrophobicContact CE1-CD2 4.34Å; Y9-L98 HydrophobicContact CG-CD2 3.9Å; Y94-L98 HydrophobicContact CD1-CD1 3.91Å; Y94-L98 HydrophobicContact CE1-CD1 3.55Å; Y94-L98 HydrophobicContact CE1-CG 4.31Å; Y94-L98 HydrophobicContact CE2-CD2 4.42Å; Y94-L98 HydrophobicContact CE2-CG 4.48Å; Y94-L98 WeakPolarHBondContact O-CG 3.39Å; Y94-L98 PolarHBondContact O-N 2.6Å; Y94-L98 VanDerWaalsContact O-N 3.09Å; F95-L98 PolarHBondContact O-N 3.34Å; L98-D101 PolarHBondContact O-N 3.46Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 PolarHBondContact O-N 3.09Å; L98-F113 HydrophobicContact CD2-CE1 4.4Å; L98-L114 HydrophobicContact CB-CD2 4.27Å; L98-L114 HydrophobicContact CD2-CD2 3.63Å; L98-Q117 HydrophobicContact CD1-CB 3.75Å; L98-Q117 HydrophobicContact CD2-CB 4.14Å; L98-I118 HydrophobicContact CB-CD1 4.5Å; L98-I118 HydrophobicContact CB-CG1 4.16Å; L98-I118 HydrophobicContact CD1-CG1 4.41Å
99I92.6Very high83Confident0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-72-31.9-178.567.2172.3000112.3L56 L60 F95 L96 D101 L102 L103 I118 L131L56-I99 HydrophobicContact CB-CD1 4.13Å; L56-I99 HydrophobicContact CD2-CD1 4.13Å; L56-I99 HydrophobicContact CD2-CG1 4.06Å; L60-I99 HydrophobicContact CD1-CD1 4.21Å; L60-I99 HydrophobicContact CD2-CD1 3.79Å; L60-I99 HydrophobicContact CG-CD1 3.81Å; F95-I99 HydrophobicContact CD2-CG2 3.83Å; F95-I99 HydrophobicContact CE2-CG2 3.52Å; F95-I99 HydrophobicContact CZ-CG2 4.06Å; F95-I99 WeakPolarHBondContact O-CG1 3.04Å; F95-I99 WeakPolarHBondContact O-CG2 3.14Å; F95-I99 PolarHBondContact O-N 3.4Å; L96-I99 HydrophobicContact CD2-CD1 3.98Å; L96-I99 WeakPolarHBondContact O-CG1 3.37Å; I99-D101 VanDerWaalsContact C-N 3.31Å; I99-L102 PolarHBondContact O-N 3.36Å; I99-L103 HydrophobicContact CB-CD1 4.17Å; I99-L103 VanDerWaalsContact O-CB 3.23Å; I99-L103 WeakPolarHBondContact O-CB 3.2Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 3.18Å; I99-I118 HydrophobicContact CG2-CD1 4.26Å; I99-L131 HydrophobicContact CG2-CD1 3.7Å; I99-L131 HydrophobicContact CG2-CD2 4.38Å
100H91.8Very high82.5Confident4 Ų449.6 Ų49.62%0.01924%0.243CC..Hα-helixtrans-56.4-51.7171.9171.1-86.1000109.6K48 T49 L56 L96 V97 L102 L103 I104K48-H100 VanDerWaalsContact C-NE2 3.28Å; K48-H100 VanDerWaalsContact CB-CE1 3.41Å; K48-H100 WeakPolarHBondContact CB-CE1 3.35Å; K48-H100 VanDerWaalsContact CB-NE2 3.32Å; K48-H100 WeakPolarHBondContact CB-NE2 3.46Å; K48-H100 PolarHBondContact O-CD2 2.96Å; K48-H100 PolarHBondContact O-NE2 3.31Å; T49-H100 HydrophobicContact CG2-CB 4.2Å; L56-H100 HydrophobicContact CD1-CB 3.75Å; L96-H100 VanDerWaalsContact O-CB 3.26Å; L96-H100 WeakPolarHBondContact O-CB 3.3Å; L96-H100 PolarHBondContact O-N 3.21Å; V97-H100 WeakPolarHBondContact O-CB 3.12Å; V97-H100 PolarHBondContact O-N 2.69Å; H100-L102 VanDerWaalsContact C-N 3.33Å; H100-L102 PolarHBondContact O-N 3.29Å; H100-L103 PolarHBondContact O-N 2.7Å; H100-I104 WeakPolarHBondContact O-CB 3.35Å; H100-I104 PolarHBondContact O-N 3.39Å
101D90.6Very high82.1Confident9 Ų951.5 Ų51.55%0.04825%0.249CC..Hα-helixtrans-68.7-33.2-176.9-13640.6000112.8Y9 L45 V97 L98 I99 K105 L114Y9-D101 HydrophobicContact CE1-CB 3.81Å; Y9-D101 PolarHBondContact OH-OD2 3.3Å; L45-D101 HydrophobicContact CD1-CB 4.32Å; L45-D101 WeakPolarHBondContact CD1-OD1 3.48Å; V97-D101 PolarHBondContact O-N 2.77Å; V97-D101 VanDerWaalsContact O-N 3.09Å; L98-D101 PolarHBondContact O-N 3.46Å; I99-D101 VanDerWaalsContact C-N 3.31Å; D101-K105 VanDerWaalsContact CG-NZ 3.25Å; D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 WeakPolarHBondContact OD1-CD 3.19Å; D101-K105 WeakPolarHBondContact OD1-CE 3.42Å; D101-K105 WeakPolarHBondContact OD1-CG 3.23Å; D101-K105 IonicContact OD1-NZ 3.52Å; D101-K105 PolarHBondContact OD1-NZ 2.93Å; D101-K105 IonicContact OD2-NZ 3.11Å; D101-K105 PolarHBondContact OD2-NZ 2.88Å; D101-L114 HydrophobicContact CB-CD1 4.15Å; D101-L114 HydrophobicContact CB-CD2 4.35Å
102L89.5Confident82Confident19 Ų1952.9 Ų52.910%0.09925%0.252CS..Hα-helixtrans-69.4-41.6175.3177.969.7000113.2L98 I99 H100 L114 L115 I118 T128L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 PolarHBondContact O-N 3.09Å; I99-L102 PolarHBondContact O-N 3.36Å; H100-L102 VanDerWaalsContact C-N 3.33Å; H100-L102 PolarHBondContact O-N 3.29Å; L102-L114 HydrophobicContact CB-CD1 4.22Å; L102-L114 HydrophobicContact CD1-CB 4.5Å; L102-L115 HydrophobicContact CD1-CD2 4.42Å; L102-I118 HydrophobicContact CB-CD1 4.23Å; L102-I118 HydrophobicContact CD2-CD1 3.42Å; L102-I118 VanDerWaalsContact CD2-CD1 3.42Å; L102-I118 HydrophobicContact CG-CD1 4.34Å; L102-T128 HydrophobicContact CD2-CG2 3.85Å
103L87.7Confident82Confident27 Ų2753.6 Ų53.614%0.14126%0.256CS..Hα-helixtrans-96-29.5-166-63.9171.9000113.7T59 I99 H100 L131 R132 Y135T59-L103 HydrophobicContact CG2-CD1 4.07Å; I99-L103 HydrophobicContact CB-CD1 4.17Å; I99-L103 VanDerWaalsContact O-CB 3.23Å; I99-L103 WeakPolarHBondContact O-CB 3.2Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 3.18Å; H100-L103 PolarHBondContact O-N 2.7Å; L103-L131 HydrophobicContact CD2-CB 4.43Å; L103-R132 HydrophobicContact CD2-CB 4.47Å; L103-R132 HydrophobicContact CD2-CG 3.79Å; L103-Y135 HydrophobicContact CB-CD1 4.25Å; L103-Y135 HydrophobicContact CB-CD2 4.44Å; L103-Y135 HydrophobicContact CB-CG 4.22Å; L103-Y135 HydrophobicContact CD1-CD2 4.22Å; L103-Y135 HydrophobicContact CD1-CG 4.12Å
104I81.3Confident81.8Confident54 Ų5453.9 Ų53.928%0.27726%0.257SS..THydrogen-bonded Turntrans-110.2-31-167.6-56-176.9000112S52 L56 H100 Y135S52-I104 WeakPolarHBondContact OG-CD1 3.23Å; L56-I104 HydrophobicContact CD2-CD1 4.09Å; H100-I104 WeakPolarHBondContact O-CB 3.35Å; H100-I104 PolarHBondContact O-N 3.39Å; I104-Y135 HydrophobicContact CD1-CE2 4.16Å; I104-Y135 HydrophobicContact CG1-CE2 4.06Å
105K69Low81.6Confident93 Ų9355.5 Ų55.540%0.40427%0.267SS..  trans-72.5132.8173.8-83.6-166.2-176.2147.10111D101D101-K105 VanDerWaalsContact CG-NZ 3.25Å; D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 WeakPolarHBondContact OD1-CD 3.19Å; D101-K105 WeakPolarHBondContact OD1-CE 3.42Å; D101-K105 WeakPolarHBondContact OD1-CG 3.23Å; D101-K105 IonicContact OD1-NZ 3.52Å; D101-K105 PolarHBondContact OD1-NZ 2.93Å; D101-K105 IonicContact OD2-NZ 3.11Å; D101-K105 PolarHBondContact OD2-NZ 2.88Å
106E57.1Low81.4Confident190 Ų19057.9 Ų57.989%0.88829%0.285SS*.SBendtrans-73-30.5174.2-64.7177.3171.200112.6
107K59.8Low81.2Confident153 Ų15359.2 Ų59.267%0.66529%0.291SS*.  trans-85.3123.5-177.3-66.9-173.2-179.8179.80111.8T109K107-T109 VanDerWaalsContact C-N 3.31Å; K107-T109 HydrophobicContact CB-CG2 4.47Å; K107-T109 PolarHBondContact O-N 2.92Å
108K60.5Low81.1Confident171 Ų17159.2 Ų59.274%0.74329%0.291SS*.  trans-85.424.4-176-62.8-177.7-177.6172.50115.2S110 H111K108-S110 PolarHBondContact O-N 3.13Å; K108-H111 HydrophobicContact CB-CB 4.41Å; K108-H111 PolarHBondContact O-N 2.87Å
109T60.1Low81Confident119 Ų11963.6 Ų63.673%0.7331%0.312SS*.THydrogen-bonded Turntrans-63.4-17-168.951.70000115.1K107K107-T109 VanDerWaalsContact C-N 3.31Å; K107-T109 HydrophobicContact CB-CG2 4.47Å; K107-T109 PolarHBondContact O-N 2.92Å
110S71Confident80.8Confident21 Ų2168.3 Ų68.315%0.14733%0.334CS..THydrogen-bonded Turntrans-130.119.7-174.6-50.50000113L5 K108 H112 F113 L114L5-S110 WeakPolarHBondContact CD2-OG 3.45Å; K108-S110 PolarHBondContact O-N 3.13Å; S110-H112 PolarHBondContact O-N 2.83Å; S110-F113 PolarHBondContact O-N 3.29Å; S110-L114 WeakPolarHBondContact O-CG 3.44Å; S110-L114 PolarHBondContact O-N 2.85Å; S110-L114 VanDerWaalsContact O-N 3.07Å
111H79.4Confident80.7Confident63 Ų6370 Ų7029%0.29234%0.344SS..Hα-helixtrans-59.4-46.9-167-164.2-99.5000113.4K108 F113 L114 L115 R132K108-H111 HydrophobicContact CB-CB 4.41Å; K108-H111 PolarHBondContact O-N 2.87Å; H111-F113 VanDerWaalsContact C-N 3.35Å; H111-F113 PolarHBondContact O-N 3.01Å; H111-L114 PolarHBondContact O-N 3.29Å; H111-L115 VanDerWaalsContact O-CG 3.3Å; H111-L115 WeakPolarHBondContact O-CG 3.42Å; H111-L115 PolarHBondContact O-N 3.18Å; H111-R132 PolarHBondContact CE1-NH2 3.01Å; H111-R132 PolarHBondContact NE2-NH2 3.32Å
112H84.7Confident80.6Confident145 Ų14571.1 Ų71.167%0.67135%0.351SS*.Hα-helixtrans-63.6-38.4179.5-170.2-61.9000112.8S110 S116S110-H112 PolarHBondContact O-N 2.83Å; H112-S116 PolarHBondContact O-N 3.43Å; H112-S116 VanDerWaalsContact O-N 3.14Å
113F88.1Confident80.6Confident24 Ų2477.7 Ų77.711%0.10538%0.379CS..Hα-helixtrans-63.2-48.3176.3173.4-91.9000110.7L5 Y9 L98 S110 H111 L115 S116 Q117L5-F113 HydrophobicContact CB-CD1 4.32Å; L5-F113 HydrophobicContact CB-CD2 4.43Å; L5-F113 HydrophobicContact CB-CE1 4.33Å; L5-F113 HydrophobicContact CB-CE2 4.42Å; L5-F113 HydrophobicContact CB-CG 4.39Å; L5-F113 HydrophobicContact CB-CZ 4.38Å; Y9-F113 HydrophobicContact CD2-CD1 4.04Å; Y9-F113 AromaticContact CD2-CE1 3.36Å; Y9-F113 HydrophobicContact CD2-CE1 3.36Å; Y9-F113 HydrophobicContact CD2-CZ 4.21Å; Y9-F113 AromaticContact CE2-CD1 3.76Å; Y9-F113 HydrophobicContact CE2-CD1 3.76Å; Y9-F113 AromaticContact CE2-CE1 3.58Å; Y9-F113 HydrophobicContact CE2-CE1 3.58Å; Y9-F113 HydrophobicContact CG-CE1 4.31Å; L98-F113 HydrophobicContact CD2-CE1 4.4Å; S110-F113 PolarHBondContact O-N 3.29Å; H111-F113 VanDerWaalsContact C-N 3.35Å; H111-F113 PolarHBondContact O-N 3.01Å; F113-L115 PolarHBondContact O-N 3.15Å; F113-S116 PolarHBondContact O-N 2.61Å; F113-Q117 HydrophobicContact CD1-CG 4.26Å; F113-Q117 HydrophobicContact CD2-CG 4.37Å; F113-Q117 HydrophobicContact CE1-CG 3.7Å; F113-Q117 HydrophobicContact CE2-CG 3.86Å; F113-Q117 HydrophobicContact CZ-CG 3.48Å; F113-Q117 VanDerWaalsContact CZ-CG 3.48Å; F113-Q117 WeakPolarHBondContact O-CG 3.01Å; F113-Q117 PolarHBondContact O-N 3.3Å
114L88.3Confident80.7Confident6 Ų678 Ų783%0.03138%0.381CS..Hα-helixtrans-59.7-43.3178.3-69.8172.2000112.2Y9 L98 D101 L102 S110 H111 S116 Q117 I118Y9-L114 HydrophobicContact CD1-CD2 4.49Å; Y9-L114 HydrophobicContact CE1-CD2 3.75Å; Y9-L114 HydrophobicContact CE2-CD2 4.18Å; L98-L114 HydrophobicContact CB-CD2 4.27Å; L98-L114 HydrophobicContact CD2-CD2 3.63Å; D101-L114 HydrophobicContact CB-CD1 4.15Å; D101-L114 HydrophobicContact CB-CD2 4.35Å; L102-L114 HydrophobicContact CB-CD1 4.22Å; L102-L114 HydrophobicContact CD1-CB 4.5Å; S110-L114 WeakPolarHBondContact O-CG 3.44Å; S110-L114 PolarHBondContact O-N 2.85Å; S110-L114 VanDerWaalsContact O-N 3.07Å; H111-L114 PolarHBondContact O-N 3.29Å; L114-S116 PolarHBondContact O-N 2.77Å; L114-Q117 PolarHBondContact O-N 3.34Å; L114-I118 WeakPolarHBondContact O-CB 3.46Å; L114-I118 WeakPolarHBondContact O-CD1 3.19Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.11Å
115L88.4Confident81.1Confident56 Ų5679.5 Ų79.529%0.29340%0.401SS..Hα-helixtrans-60.9-44.8177.4-68.1-179.9000112L102 H111 F113 H119 T128L102-L115 HydrophobicContact CD1-CD2 4.42Å; H111-L115 VanDerWaalsContact O-CG 3.3Å; H111-L115 WeakPolarHBondContact O-CG 3.42Å; H111-L115 PolarHBondContact O-N 3.18Å; F113-L115 PolarHBondContact O-N 3.15Å; L115-H119 WeakPolarHBondContact O-CB 3.22Å; L115-H119 PolarHBondContact O-N 2.64Å; L115-T128 HydrophobicContact CD2-CG2 3.32Å; L115-T128 WeakPolarHBondContact CD2-OG1 3.1Å
116S88.2Confident82.2Confident62 Ų6280 Ų8043%0.43441%0.408SS..Hα-helixtrans-61.1-48.2178-171.60000111.4H112 F113 L114 H119 E120H112-S116 PolarHBondContact O-N 3.43Å; H112-S116 VanDerWaalsContact O-N 3.14Å; F113-S116 PolarHBondContact O-N 2.61Å; L114-S116 PolarHBondContact O-N 2.77Å; S116-H119 PolarHBondContact O-N 2.86Å; S116-E120 WeakPolarHBondContact O-CB 3.43Å; S116-E120 PolarHBondContact O-N 2.84Å
117Q90.2Very high83.9Confident28 Ų2871 Ų7113%0.13137%0.365CS..Hα-helixtrans-68.4-37.7-178.3-69.9-60.9-66.600112.5Y94 L98 F113 L114 E120 V121Y94-Q117 PolarHBondContact OH-OE1 3.45Å; L98-Q117 HydrophobicContact CD1-CB 3.75Å; L98-Q117 HydrophobicContact CD2-CB 4.14Å; F113-Q117 HydrophobicContact CD1-CG 4.26Å; F113-Q117 HydrophobicContact CD2-CG 4.37Å; F113-Q117 HydrophobicContact CE1-CG 3.7Å; F113-Q117 HydrophobicContact CE2-CG 3.86Å; F113-Q117 HydrophobicContact CZ-CG 3.48Å; F113-Q117 VanDerWaalsContact CZ-CG 3.48Å; F113-Q117 WeakPolarHBondContact O-CG 3.01Å; F113-Q117 PolarHBondContact O-N 3.3Å; L114-Q117 PolarHBondContact O-N 3.34Å; Q117-E120 PolarHBondContact NE2-OE2 3.45Å; Q117-E120 PolarHBondContact O-N 3.35Å; Q117-V121 VanDerWaalsContact O-CG2 3.3Å; Q117-V121 WeakPolarHBondContact O-CG2 3.39Å; Q117-V121 PolarHBondContact O-N 3.13Å
118I91.1Very high85.3Confident0 Ų064.5 Ų64.50%034%0.339CS..Hα-helixtrans-64.7-45.2175.3-72.7167.8000110.5F95 L98 I99 L102 L114 E120 V121 T122 A127 L131F95-I118 HydrophobicContact CE2-CG1 4.16Å; F95-I118 HydrophobicContact CE2-CG2 4.1Å; L98-I118 HydrophobicContact CB-CD1 4.5Å; L98-I118 HydrophobicContact CB-CG1 4.16Å; L98-I118 HydrophobicContact CD1-CG1 4.41Å; I99-I118 HydrophobicContact CG2-CD1 4.26Å; L102-I118 HydrophobicContact CB-CD1 4.23Å; L102-I118 HydrophobicContact CD2-CD1 3.42Å; L102-I118 VanDerWaalsContact CD2-CD1 3.42Å; L102-I118 HydrophobicContact CG-CD1 4.34Å; L114-I118 WeakPolarHBondContact O-CB 3.46Å; L114-I118 WeakPolarHBondContact O-CD1 3.19Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.11Å; I118-E120 VanDerWaalsContact C-N 3.28Å; I118-E120 PolarHBondContact O-N 3.22Å; I118-V121 PolarHBondContact O-N 3.13Å; I118-T122 HydrophobicContact CG2-CG2 4.41Å; I118-T122 WeakPolarHBondContact O-CG2 3.06Å; I118-T122 PolarHBondContact O-N 3.14Å; I118-T122 PolarHBondContact O-OG1 2.88Å; I118-A127 HydrophobicContact CG2-CB 4.12Å; I118-L131 HydrophobicContact CG2-CD1 4.18Å
119H90.6Very high86.7Confident92 Ų9262.7 Ų62.743%0.42633%0.331SS..Hα-helixtrans-61.9-38.6175.6-179.160.5000111.8L115 S116 K123 D124L115-H119 WeakPolarHBondContact O-CB 3.22Å; L115-H119 PolarHBondContact O-N 2.64Å; S116-H119 PolarHBondContact O-N 2.86Å; H119-K123 WeakPolarHBondContact O-CA 3.46Å; H119-K123 PolarHBondContact O-N 3.09Å; H119-D124 PolarHBondContact ND1-O 3.46Å
120E89.1Confident88.3Confident99 Ų9961.2 Ų61.246%0.46332%0.315SS..Hα-helixtrans-63.7-41.4177.5-176172.8-171.600112.7S116 Q117 I118 K123S116-E120 WeakPolarHBondContact O-CB 3.43Å; S116-E120 PolarHBondContact O-N 2.84Å; Q117-E120 PolarHBondContact NE2-OE2 3.45Å; Q117-E120 PolarHBondContact O-N 3.35Å; I118-E120 VanDerWaalsContact C-N 3.28Å; I118-E120 PolarHBondContact O-N 3.22Å; E120-K123 WeakPolarHBondContact O-CD 3.39Å; E120-K123 WeakPolarHBondContact O-CE 3.45Å; E120-K123 PolarHBondContact O-NZ 2.89Å
121V89.2Confident89.4Confident40 Ų4060.2 Ų60.224%0.24231%0.308CS..Hα-helixtrans-73.5-39.2179171.80000112.2I91 Y94 F95 Q117 I118I91-V121 HydrophobicContact CD1-CG1 4.34Å; I91-V121 HydrophobicContact CG1-CG1 4.15Å; Y94-V121 HydrophobicContact CD1-CG2 4.18Å; Y94-V121 HydrophobicContact CE1-CG2 4.21Å; F95-V121 HydrophobicContact CB-CG1 4.19Å; F95-V121 HydrophobicContact CD1-CG1 4.44Å; F95-V121 HydrophobicContact CD2-CG1 4.08Å; F95-V121 HydrophobicContact CG-CG1 4.01Å; Q117-V121 VanDerWaalsContact O-CG2 3.3Å; Q117-V121 WeakPolarHBondContact O-CG2 3.39Å; Q117-V121 PolarHBondContact O-N 3.13Å; I118-V121 PolarHBondContact O-N 3.13Å
122T89.9Confident90Very high31 Ų3162 Ų6219%0.1931%0.312CS..Hα-helixtrans-93.7-20.5-174.863.40000114.3L65 F95 I118 D124 A127L65-T122 HydrophobicContact CD1-CG2 4.45Å; L65-T122 HydrophobicContact CD2-CG2 4.16Å; F95-T122 HydrophobicContact CE1-CG2 4.11Å; F95-T122 HydrophobicContact CE2-CG2 3.89Å; F95-T122 HydrophobicContact CZ-CG2 3.44Å; F95-T122 VanDerWaalsContact CZ-CG2 3.44Å; I118-T122 HydrophobicContact CG2-CG2 4.41Å; I118-T122 WeakPolarHBondContact O-CG2 3.06Å; I118-T122 PolarHBondContact O-N 3.14Å; I118-T122 PolarHBondContact O-OG1 2.88Å; T122-D124 PolarHBondContact O-N 2.99Å; T122-D124 VanDerWaalsContact O-N 3.11Å; T122-D124 PolarHBondContact OG1-N 3.35Å; T122-D124 PolarHBondContact OG1-O 2.89Å; T122-A127 HydrophobicContact CG2-CB 3.99Å; T122-A127 WeakPolarHBondContact OG1-CB 3.39Å
123K89.2Confident90.3Very high157 Ų15760.4 Ų60.468%0.68330%0.304SS*.  trans51.923.9-166.9-52.8-56-173.3-159.80113.6H119 E120H119-K123 WeakPolarHBondContact O-CA 3.46Å; H119-K123 PolarHBondContact O-N 3.09Å; E120-K123 WeakPolarHBondContact O-CD 3.39Å; E120-K123 WeakPolarHBondContact O-CE 3.45Å; E120-K123 PolarHBondContact O-NZ 2.89Å
124D89.7Confident90.5Very high34 Ų3459.4 Ų59.418%0.18230%0.301CS..  trans-121.3115-177.4174.16.9000109.9H119 T122 L126 A127 K130H119-D124 PolarHBondContact ND1-O 3.46Å; T122-D124 PolarHBondContact O-N 2.99Å; T122-D124 VanDerWaalsContact O-N 3.11Å; T122-D124 PolarHBondContact OG1-N 3.35Å; T122-D124 PolarHBondContact OG1-O 2.89Å; D124-L126 PolarHBondContact O-N 3.33Å; D124-L126 WeakPolarHBondContact OD1-CA 3.28Å; D124-L126 WeakPolarHBondContact OD1-CB 3.41Å; D124-L126 PolarHBondContact OD1-N 3.03Å; D124-A127 HydrophobicContact CB-CB 4.04Å; D124-A127 VanDerWaalsContact O-CB 3.23Å; D124-A127 WeakPolarHBondContact O-CB 3.33Å; D124-A127 PolarHBondContact O-N 2.85Å; D124-A127 PolarHBondContact OD1-N 3.48Å; D124-K130 IonicContact OD1-NZ 3.76Å; D124-K130 WeakPolarHBondContact OD2-CE 3.38Å; D124-K130 IonicContact OD2-NZ 2.64Å; D124-K130 PolarHBondContact OD2-NZ 2.62Å
125A90.3Very high90.7Very high85 Ų8560.7 Ų60.770%0.70231%0.306SS*.THydrogen-bonded Turntrans-64.5-24.6179.400000113
126L91.7Very high90.7Very high104 Ų10463.6 Ų63.655%0.54532%0.317SS..THydrogen-bonded Turntrans-94.1-0.3178.6-62.3178.5000113.1D124 T128 K129 K130D124-L126 PolarHBondContact O-N 3.33Å; D124-L126 WeakPolarHBondContact OD1-CA 3.28Å; D124-L126 WeakPolarHBondContact OD1-CB 3.41Å; D124-L126 PolarHBondContact OD1-N 3.03Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 3.22Å; L126-K129 WeakPolarHBondContact O-CB 3.3Å; L126-K129 PolarHBondContact O-N 2.76Å; L126-K130 WeakPolarHBondContact O-CG 3.33Å; L126-K130 PolarHBondContact O-N 3.29Å
127A91.4Very high90.7Very high0 Ų062.4 Ų62.40%031%0.309CS..Hα-helixtrans-52.7-48.2-175.600000112.5L65 I118 T122 D124 K129 K130 L131L65-A127 HydrophobicContact CD1-CB 3.91Å; I118-A127 HydrophobicContact CG2-CB 4.12Å; T122-A127 HydrophobicContact CG2-CB 3.99Å; T122-A127 WeakPolarHBondContact OG1-CB 3.39Å; D124-A127 HydrophobicContact CB-CB 4.04Å; D124-A127 VanDerWaalsContact O-CB 3.23Å; D124-A127 WeakPolarHBondContact O-CB 3.33Å; D124-A127 PolarHBondContact O-N 2.85Å; D124-A127 PolarHBondContact OD1-N 3.48Å; A127-K129 VanDerWaalsContact C-N 3.31Å; A127-K129 PolarHBondContact O-N 2.87Å; A127-K130 PolarHBondContact O-N 3.01Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 VanDerWaalsContact O-CG 3.24Å; A127-L131 WeakPolarHBondContact O-CG 3.25Å; A127-L131 PolarHBondContact O-N 3.1Å
128T90.9Very high90.5Very high18 Ų1861.5 Ų61.511%0.1131%0.306CS..Hα-helixtrans-58.4-41.2178.6-56.80000112.2L102 L115 L126 R132L102-T128 HydrophobicContact CD2-CG2 3.85Å; L115-T128 HydrophobicContact CD2-CG2 3.32Å; L115-T128 WeakPolarHBondContact CD2-OG1 3.1Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 3.22Å; T128-R132 WeakPolarHBondContact O-CG 3.25Å; T128-R132 PolarHBondContact O-N 3.46Å; T128-R132 VanDerWaalsContact O-N 3.11Å
129K90.1Very high90.2Very high132 Ų13263.3 Ų63.357%0.57432%0.315SS*.Hα-helixtrans-67.6-46178.3-172.8175.6179.9-178.60110.4L126 A127 L131 R132 H133L126-K129 WeakPolarHBondContact O-CB 3.3Å; L126-K129 PolarHBondContact O-N 2.76Å; A127-K129 VanDerWaalsContact C-N 3.31Å; A127-K129 PolarHBondContact O-N 2.87Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 3.46Å; K129-R132 PolarHBondContact O-N 2.92Å; K129-H133 PolarHBondContact O-CD2 3.25Å; K129-H133 PolarHBondContact O-N 3.07Å; K129-H133 VanDerWaalsContact O-N 3.15Å
130K93.2Very high89.7Confident89 Ų8966.8 Ų66.839%0.38733%0.329SS..Hα-helixtrans-57-46.3175.5-66.9174-178.3171.80111.6A63 D124 L126 A127 H133 A134A63-K130 HydrophobicContact CB-CB 4.17Å; D124-K130 IonicContact OD1-NZ 3.76Å; D124-K130 WeakPolarHBondContact OD2-CE 3.38Å; D124-K130 IonicContact OD2-NZ 2.64Å; D124-K130 PolarHBondContact OD2-NZ 2.62Å; L126-K130 WeakPolarHBondContact O-CG 3.33Å; L126-K130 PolarHBondContact O-N 3.29Å; A127-K130 PolarHBondContact O-N 3.01Å; K130-H133 PolarHBondContact O-N 3.27Å; K130-A134 VanDerWaalsContact O-CB 3.22Å; K130-A134 WeakPolarHBondContact O-CB 3.43Å; K130-A134 PolarHBondContact O-N 3.26Å
131L93.4Very high88.9Confident0 Ų066 Ų660%033%0.328CS..Hα-helixtrans-61.2-44.5178.7-72.4168.2000112.6T59 L60 A63 L65 F95 I99 L103 I118 A127 K129 A134 Y135T59-L131 HydrophobicContact CG2-CD2 4.24Å; L60-L131 HydrophobicContact CD2-CD2 3.79Å; A63-L131 HydrophobicContact CB-CD2 4.07Å; L65-L131 HydrophobicContact CD1-CD1 4.22Å; L65-L131 HydrophobicContact CD1-CD2 3.89Å; L65-L131 HydrophobicContact CD1-CG 3.76Å; F95-L131 HydrophobicContact CE2-CD1 4.44Å; F95-L131 HydrophobicContact CZ-CD1 4.26Å; I99-L131 HydrophobicContact CG2-CD1 3.7Å; I99-L131 HydrophobicContact CG2-CD2 4.38Å; L103-L131 HydrophobicContact CD2-CB 4.43Å; I118-L131 HydrophobicContact CG2-CD1 4.18Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 VanDerWaalsContact O-CG 3.24Å; A127-L131 WeakPolarHBondContact O-CG 3.25Å; A127-L131 PolarHBondContact O-N 3.1Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 3.46Å; L131-A134 PolarHBondContact O-N 3.14Å; L131-Y135 VanDerWaalsContact O-CB 3.26Å; L131-Y135 WeakPolarHBondContact O-CB 3.28Å; L131-Y135 PolarHBondContact O-N 3.44Å
132R92.5Very high87.7Confident99 Ų9965 Ų6537%0.37432%0.323SS..Hα-helixtrans-63.9-46.6178.8-72.5-179.2-165.8141.95.8112.3L103 H111 T128 K129 Y135 Q136L103-R132 HydrophobicContact CD2-CB 4.47Å; L103-R132 HydrophobicContact CD2-CG 3.79Å; H111-R132 PolarHBondContact CE1-NH2 3.01Å; H111-R132 PolarHBondContact NE2-NH2 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.25Å; T128-R132 PolarHBondContact O-N 3.46Å; T128-R132 VanDerWaalsContact O-N 3.11Å; K129-R132 PolarHBondContact O-N 2.92Å; R132-Y135 PolarHBondContact O-N 3.01Å; R132-Q136 WeakPolarHBondContact O-CG 3.46Å; R132-Q136 PolarHBondContact O-N 3.26Å
133H91.2Very high86.2Confident112 Ų11270.9 Ų70.952%0.51935%0.346SS..Hα-helixtrans-64.1-42.8177.2-74-67.7000111.8K129 K130 S137K129-H133 PolarHBondContact O-CD2 3.25Å; K129-H133 PolarHBondContact O-N 3.07Å; K129-H133 VanDerWaalsContact O-N 3.15Å; K130-H133 PolarHBondContact O-N 3.27Å; H133-S137 PolarHBondContact O-N 2.97Å
134A91.9Very high84.3Confident4 Ų467.5 Ų67.53%0.03334%0.342CS..Hα-helixtrans-60.1-47.4175.300000111.3T59 K62 A63 K130 L131 S137 V138T59-A134 HydrophobicContact CG2-CB 4Å; T59-A134 WeakPolarHBondContact O-CB 3.16Å; K62-A134 HydrophobicContact CB-CB 3.99Å; K62-A134 HydrophobicContact CG-CB 4.02Å; A63-A134 HydrophobicContact CB-CB 3.9Å; K130-A134 VanDerWaalsContact O-CB 3.22Å; K130-A134 WeakPolarHBondContact O-CB 3.43Å; K130-A134 PolarHBondContact O-N 3.26Å; L131-A134 PolarHBondContact O-N 3.14Å; A134-S137 PolarHBondContact O-N 3.36Å; A134-V138 WeakPolarHBondContact O-CB 3.49Å; A134-V138 VanDerWaalsContact O-CG2 3.29Å; A134-V138 WeakPolarHBondContact O-CG2 3.32Å; A134-V138 PolarHBondContact O-N 3.12Å
135Y92Very high82Confident33 Ų3369.7 Ų69.713%0.12935%0.351CS..Hα-helixtrans-64-44.8-179.2-179.4-104.8000112.1I55 L103 I104 L131 R132 S137 V138 N139I55-Y135 HydrophobicContact CG2-CD2 4.11Å; I55-Y135 HydrophobicContact CG2-CE2 3.7Å; L103-Y135 HydrophobicContact CB-CD1 4.25Å; L103-Y135 HydrophobicContact CB-CD2 4.44Å; L103-Y135 HydrophobicContact CB-CG 4.22Å; L103-Y135 HydrophobicContact CD1-CD2 4.22Å; L103-Y135 HydrophobicContact CD1-CG 4.12Å; I104-Y135 HydrophobicContact CD1-CE2 4.16Å; I104-Y135 HydrophobicContact CG1-CE2 4.06Å; L131-Y135 VanDerWaalsContact O-CB 3.26Å; L131-Y135 WeakPolarHBondContact O-CB 3.28Å; L131-Y135 PolarHBondContact O-N 3.44Å; R132-Y135 PolarHBondContact O-N 3.01Å; Y135-S137 PolarHBondContact O-N 2.81Å; Y135-V138 PolarHBondContact O-N 3.08Å; Y135-N139 HydrophobicContact CE1-CB 4.2Å; Y135-N139 HydrophobicContact CE2-CB 4.38Å; Y135-N139 WeakPolarHBondContact O-CB 3.44Å; Y135-N139 PolarHBondContact O-N 3.05Å; Y135-N139 PolarHBondContact OH-ND2 3.05Å
136Q89.2Confident79.7Confident116 Ų11670.8 Ų70.854%0.54235%0.349SS..Hα-helixtrans-57.6-41.1176.4-75.7175.3-8.700111.7R132 K140R132-Q136 WeakPolarHBondContact O-CG 3.46Å; R132-Q136 PolarHBondContact O-N 3.26Å; Q136-K140 WeakPolarHBondContact O-CB 3.48Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.31Å; Q136-K140 PolarHBondContact O-N 3.33Å; Q136-K140 VanDerWaalsContact O-N 3.12Å
137S87.8Confident77.1Confident38 Ų3873.4 Ų73.427%0.26636%0.358SS..Hα-helixtrans-71.4-44.6177.9-1740000112.4K62 H133 A134 Y135 K140 L141K62-S137 WeakPolarHBondContact CE-OG 3.45Å; K62-S137 PolarHBondContact NZ-OG 3.07Å; H133-S137 PolarHBondContact O-N 2.97Å; A134-S137 PolarHBondContact O-N 3.36Å; Y135-S137 PolarHBondContact O-N 2.81Å; S137-K140 PolarHBondContact O-N 3Å; S137-L141 VanDerWaalsContact O-CD1 3.29Å; S137-L141 WeakPolarHBondContact O-CD1 3.46Å; S137-L141 PolarHBondContact O-N 3.2Å
138V86.8Confident74.6Confident9 Ų979.9 Ų79.96%0.05539%0.393CS..Hα-helixtrans-66-40.7178.4173.30000111.2I55 Q58 K62 A134 Y135 L141 S142I55-V138 HydrophobicContact CG2-CG1 4.02Å; Q58-V138 HydrophobicContact CB-CG1 3.7Å; Q58-V138 HydrophobicContact CB-CG2 4.17Å; K62-V138 HydrophobicContact CB-CG2 4.31Å; K62-V138 HydrophobicContact CD-CG2 3.96Å; A134-V138 WeakPolarHBondContact O-CB 3.49Å; A134-V138 VanDerWaalsContact O-CG2 3.29Å; A134-V138 WeakPolarHBondContact O-CG2 3.32Å; A134-V138 PolarHBondContact O-N 3.12Å; Y135-V138 PolarHBondContact O-N 3.08Å; V138-L141 CarbonylContact O-C 3.29Å; V138-L141 PolarHBondContact O-N 2.92Å; V138-S142 WeakPolarHBondContact O-CB 3.5Å; V138-S142 PolarHBondContact O-N 3.09Å; V138-S142 PolarHBondContact O-OG 2.95Å
139N83.2Confident72Confident38 Ų3886.4 Ų86.420%0.20342%0.415CS..Hα-helixtrans-68.6-37.6179.8-167.118.9000111.6Y135 S142 K143Y135-N139 HydrophobicContact CE1-CB 4.2Å; Y135-N139 HydrophobicContact CE2-CB 4.38Å; Y135-N139 WeakPolarHBondContact O-CB 3.44Å; Y135-N139 PolarHBondContact O-N 3.05Å; Y135-N139 PolarHBondContact OH-ND2 3.05Å; N139-S142 VanDerWaalsContact CA-OG 3.32Å; N139-S142 WeakPolarHBondContact CA-OG 3.45Å; N139-S142 PolarHBondContact O-N 3.32Å; N139-S142 PolarHBondContact O-OG 3.06Å; N139-S142 VanDerWaalsContact O-OG 3.07Å; N139-K143 WeakPolarHBondContact O-CB 3.42Å; N139-K143 WeakPolarHBondContact O-CG 3.47Å; N139-K143 PolarHBondContact O-N 2.89Å
140K80.3Confident69.4Low164 Ų16482.7 Ų82.771%0.71342%0.415SS*.Hα-helixtrans-60.7-45.7170.1-79.1-179.6179.4-172.50111.4Q136 S137 S144Q136-K140 WeakPolarHBondContact O-CB 3.48Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.31Å; Q136-K140 PolarHBondContact O-N 3.33Å; Q136-K140 VanDerWaalsContact O-N 3.12Å; S137-K140 PolarHBondContact O-N 3Å; K140-S144 PolarHBondContact O-N 3.43Å; K140-S144 PolarHBondContact O-OG 2.96Å
141L73.2Confident66.7Low83 Ų8386.9 Ų86.944%0.43544%0.436SS..Hα-helixtrans-67-36.1175.4-96.177.5000112.6S137 V138 S144 Q145S137-L141 VanDerWaalsContact O-CD1 3.29Å; S137-L141 WeakPolarHBondContact O-CD1 3.46Å; S137-L141 PolarHBondContact O-N 3.2Å; V138-L141 CarbonylContact O-C 3.29Å; V138-L141 PolarHBondContact O-N 2.92Å; L141-S144 PolarHBondContact O-N 3Å; L141-S144 PolarHBondContact O-OG 2.77Å; L141-Q145 WeakPolarHBondContact O-CB 3.46Å; L141-Q145 WeakPolarHBondContact O-CG 3.44Å; L141-Q145 PolarHBondContact O-N 3.49Å
142S63.3Low64.5Low20 Ų2090.9 Ų90.914%0.1446%0.457CS..Hα-helixtrans-73.5-33.2-17967.40000111.6V138 N139 S144 Q145 T146V138-S142 WeakPolarHBondContact O-CB 3.5Å; V138-S142 PolarHBondContact O-N 3.09Å; V138-S142 PolarHBondContact O-OG 2.95Å; N139-S142 VanDerWaalsContact CA-OG 3.32Å; N139-S142 WeakPolarHBondContact CA-OG 3.45Å; N139-S142 PolarHBondContact O-N 3.32Å; N139-S142 PolarHBondContact O-OG 3.06Å; N139-S142 VanDerWaalsContact O-OG 3.07Å; S142-S144 VanDerWaalsContact C-N 3.29Å; S142-Q145 CarbonylContact O-C 3.45Å; S142-Q145 PolarHBondContact O-N 2.59Å; S142-T146 WeakPolarHBondContact O-CA 3.18Å; S142-T146 WeakPolarHBondContact O-CB 3.23Å; S142-T146 PolarHBondContact O-N 3.43Å; S142-T146 PolarHBondContact O-OG1 3.2Å
143K59.3Low62.1Low154 Ų15495.2 Ų95.267%0.6748%0.479SS*.Hα-helixtrans-66.1-30.7172.1-73.9-179.8-179.6-171.60112.4N139 T146N139-K143 WeakPolarHBondContact O-CB 3.42Å; N139-K143 WeakPolarHBondContact O-CG 3.47Å; N139-K143 PolarHBondContact O-N 2.89Å; K143-T146 PolarHBondContact O-OG1 3.29Å
144S48.8Very low60.3Low86 Ų8692.5 Ų92.560%0.60148%0.481SS*.Hα-helixtrans-84.9-22.6171.761.50000113.8K140 L141 S142K140-S144 PolarHBondContact O-N 3.43Å; K140-S144 PolarHBondContact O-OG 2.96Å; L141-S144 PolarHBondContact O-N 3Å; L141-S144 PolarHBondContact O-OG 2.77Å; S142-S144 VanDerWaalsContact C-N 3.29Å
145Q41.1Very low59.2Low80 Ų8097.6 Ų97.637%0.37451%0.507SS..Hα-helixtrans-1032.9179.7-68.2-176.35.200114.6L141 S142 E147 N148L141-Q145 WeakPolarHBondContact O-CB 3.46Å; L141-Q145 WeakPolarHBondContact O-CG 3.44Å; L141-Q145 PolarHBondContact O-N 3.49Å; S142-Q145 CarbonylContact O-C 3.45Å; S142-Q145 PolarHBondContact O-N 2.59Å; Q145-E147 PolarHBondContact O-N 2.69Å; Q145-N148 PolarHBondContact O-N 3.29Å
146T42Very low58.7Low107 Ų10797.5 Ų97.566%0.65651%0.509SS*.THydrogen-bonded Turntrans-57.1-16.3179.82.20000112.4S142 K143S142-T146 WeakPolarHBondContact O-CA 3.18Å; S142-T146 WeakPolarHBondContact O-CB 3.23Å; S142-T146 PolarHBondContact O-N 3.43Å; S142-T146 PolarHBondContact O-OG1 3.2Å; K143-T146 PolarHBondContact O-OG1 3.29Å
147E38.2Very low58.8Low160 Ų16092.6 Ų92.675%0.74849%0.487SS*.THydrogen-bonded Turntrans-75.1-11.6172.6-65.8-179.8174.600115.1Q145 R205Q145-E147 PolarHBondContact O-N 2.69Å; E147-R205 PolarHBondContact O-NH1 3.01Å
148N37.5Very low59Low135 Ų13592.2 Ų92.272%0.72248%0.484SS*.SBendtrans-141.920.5-164.9-90-31.6000121.1Q145 R205Q145-N148 PolarHBondContact O-N 3.29Å; N148-R205 VanDerWaalsContact CA-NH1 3.29Å
149R36.8Very low59.4Low155 Ų15592.1 Ų92.159%0.58548%0.483SS*.  trans-119.4104.2172.3-77.8-172.1175.3173.54.3115.6R205R149-R205 PolarHBondContact O-NH2 3.34Å
150G35.9Very low60.1Low55 Ų5590.4 Ų90.457%0.56747%0.474SS*.  trans-88.4132.1160.900000111.5
151Q37.3Very low60.9Low177 Ų17782.6 Ų82.683%0.82744%0.44SS*.  trans-168.959.5152.9-103.9174.93500108.7K153Q151-K153 PolarHBondContact O-N 2.61Å
152N46.1Very low62.1Low83 Ų8378.7 Ų78.744%0.44442%0.419SS..  trans-85.659178.6-76.6-16.5000111.5G154 L155 S223N152-G154 PolarHBondContact O-N 3.08Å; N152-L155 HydrophobicContact CB-CB 4.4Å; N152-L155 HydrophobicContact CB-CD1 4.02Å; N152-L155 WeakPolarHBondContact OD1-CD1 3.3Å; N152-S223 PolarHBondContact ND2-O 3.43Å; N152-S223 PolarHBondContact ND2-OG 2.96Å
153K43.3Very low63.7Low190 Ų19078 Ų7883%0.82641%0.414SS*.THydrogen-bonded Turntrans-76.390.6172-73.2-178179176.40109.3Q151Q151-K153 PolarHBondContact O-N 2.61Å
154G53Low65.3Low55 Ų5574.6 Ų74.657%0.56740%0.4SS*.THydrogen-bonded Turntrans135.8-10.3171.600000116N152N152-G154 PolarHBondContact O-N 3.08Å
155L67.8Low67.4Low111 Ų11173.7 Ų73.758%0.58139%0.387SS*.SBendtrans-89150.2177.6-72164.4000111.1N152 S223N152-L155 HydrophobicContact CB-CB 4.4Å; N152-L155 HydrophobicContact CB-CD1 4.02Å; N152-L155 WeakPolarHBondContact OD1-CD1 3.3Å; L155-S223 WeakPolarHBondContact CB-OG 3.36Å
156L82Confident69.8Low31 Ų3175.6 Ų75.616%0.16239%0.394CS..PPolyproline II helixtrans-66.8146.6176.6-69.7176.8000110.7S223 L436 N438L156-S223 VanDerWaalsContact O-CB 3.28Å; L156-S223 WeakPolarHBondContact O-CB 3.39Å; L156-S223 PolarHBondContact O-OG 3.47Å; L156-L436 VanDerWaalsContact CD2-C 3.46Å; L156-N438 WeakPolarHBondContact CD1-OD1 3.29Å
157P90.4Very high72.4Confident13 Ų1371.5 Ų71.58%0.08437%0.369CS..PPolyproline II helixtrans-61.3157.217029.1-35.3000111Y159 V200 V220 F221 L436P157-Y159 HydrophobicContact CG-CE2 3.66Å; P157-V200 HydrophobicContact CB-CG1 3.68Å; P157-V200 HydrophobicContact CG-CG1 3.95Å; P157-V220 HydrophobicContact CB-CG1 3.71Å; P157-V220 HydrophobicContact CG-CG1 4.1Å; P157-F221 WeakPolarHBondContact CA-O 3.47Å; P157-F221 VanDerWaalsContact CB-O 3.25Å; P157-F221 WeakPolarHBondContact CB-O 3.22Å; P157-L436 HydrophobicContact CG-CB 3.97Å; P157-L436 HydrophobicContact CG-CD1 4.33Å
158C91.8Very high75.2Confident30 Ų3070.6 Ų70.620%0.20336%0.363CS..EExtended strand (participates in β ladder)trans-88126.5174.1-65.30000108.8F221 G224 L227C158-F221 HydrophobicContact CB-CB 4.19Å; C158-F221 PolarHBondContact N-O 3.11Å; C158-F221 PolarHBondContact O-N 3.35Å; C158-G224 PolarHBondContact SG-N 2.92Å; C158-G224 VanDerWaalsContact SG-N 3.37Å; C158-L227 HydrophobicContact CB-CD1 3.73Å; C158-L227 HydrophobicContact CB-CG 4.19Å
159Y96.7Very high78Confident8 Ų865.7 Ų65.73%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-105.4136.6178.1-69.5-77.9000110.8P157 L218 L219 V220 Q241 K243 L436P157-Y159 HydrophobicContact CG-CE2 3.66Å; Y159-L218 HydrophobicContact CD1-CD2 3.41Å; Y159-L218 VanDerWaalsContact CD1-CD2 3.41Å; Y159-L218 HydrophobicContact CD1-CG 3.91Å; Y159-L218 HydrophobicContact CE1-CD2 3.95Å; Y159-L218 HydrophobicContact CG-CD2 4.09Å; Y159-L219 WeakPolarHBondContact CA-O 3.5Å; Y159-V220 HydrophobicContact CD1-CB 4.3Å; Y159-V220 HydrophobicContact CD1-CG1 4.16Å; Y159-V220 HydrophobicContact CD1-CG2 3.8Å; Y159-V220 HydrophobicContact CE1-CB 4.1Å; Y159-V220 HydrophobicContact CE1-CG1 3.7Å; Y159-V220 HydrophobicContact CE1-CG2 3.48Å; Y159-V220 VanDerWaalsContact CE1-CG2 3.48Å; Y159-Q241 WeakPolarHBondContact CB-O 3.4Å; Y159-Q241 PolarHBondContact O-N 2.78Å; Y159-K243 HydrophobicContact CD1-CB 4.05Å; Y159-K243 HydrophobicContact CD2-CB 4.09Å; Y159-K243 HydrophobicContact CE1-CB 3.87Å; Y159-K243 HydrophobicContact CE1-CD 3.94Å; Y159-K243 HydrophobicContact CE1-CG 4.44Å; Y159-K243 HydrophobicContact CE2-CB 3.93Å; Y159-K243 HydrophobicContact CG-CB 4.14Å; Y159-L436 VanDerWaalsContact CE2-O 3.25Å; Y159-L436 WeakPolarHBondContact CE2-O 3.29Å; Y159-L436 WeakPolarHBondContact OH-CB 3.49Å; Y159-L436 PolarHBondContact OH-O 2.64Å
160A96.9Very high80.9Confident2 Ų261.4 Ų61.42%0.01733%0.334CS..EExtended strand (participates in β ladder)trans-125.2124.417200000109.8L219 F221 L227 L238 L239A160-L219 PolarHBondContact N-O 3.17Å; A160-L219 PolarHBondContact O-N 2.85Å; A160-F221 HydrophobicContact CB-CD2 4.41Å; A160-F221 HydrophobicContact CB-CE2 3.82Å; A160-L227 HydrophobicContact CB-CD1 4.13Å; A160-L238 HydrophobicContact CB-CB 4.37Å; A160-L238 HydrophobicContact CB-CD1 4.19Å; A160-L238 HydrophobicContact CB-CD2 3.97Å; A160-L238 HydrophobicContact CB-CG 4.42Å; A160-L239 CarbonylContact C-O 3.58Å; A160-L239 WeakPolarHBondContact CA-O 3.3Å
161R97.8Very high83.9Confident0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-90.3136.8174.9-178.3172.57286.1-11.7109.9N163 L217 L218 L239 Q241 N269R161-N163 PolarHBondContact O-N 3.22Å; R161-L217 HydrophobicContact CG-CD1 3.57Å; R161-L217 HydrophobicContact CG-CD2 4.42Å; R161-L217 HydrophobicContact CG-CG 3.82Å; R161-L218 HydrophobicContact CB-CD1 3.98Å; R161-L239 PolarHBondContact N-O 3.32Å; R161-L239 PolarHBondContact O-N 3.1Å; R161-Q241 HydrophobicContact CB-CB 4.3Å; R161-N269 PolarHBondContact NH2-O 3.26Å
162V98.1Very high86.8Confident0 Ų053.8 Ų53.80%029%0.286CS..EExtended strand (participates in β ladder)trans-68129.5171-178.90000110F164 T167 L169 V172 L217 L219 L238V162-F164 HydrophobicContact CB-CE2 4.21Å; V162-F164 HydrophobicContact CB-CZ 4.28Å; V162-F164 HydrophobicContact CG1-CD1 4.23Å; V162-F164 HydrophobicContact CG1-CE1 4.08Å; V162-F164 HydrophobicContact CG1-CE2 4.38Å; V162-F164 HydrophobicContact CG1-CG 4.45Å; V162-F164 HydrophobicContact CG1-CZ 4.15Å; V162-F164 PolarHBondContact O-N 3.18Å; V162-T167 HydrophobicContact CG1-CG2 3.86Å; V162-L169 HydrophobicContact CG2-CB 4.46Å; V162-L169 HydrophobicContact CG2-CD1 3.72Å; V162-V172 HydrophobicContact CG1-CG2 4.16Å; V162-V172 HydrophobicContact CG2-CG2 4.43Å; V162-L217 PolarHBondContact N-O 3.45Å; V162-L219 HydrophobicContact CG2-CD1 3.62Å; V162-L238 HydrophobicContact CG2-CD2 4.28Å
163N96.2Very high89.3Confident6 Ų651 Ų513%0.03227%0.271CS..  trans-85.189.3172.4-171.81.5000110.7R161 L165 K166 T167 K236 S237 L239R161-N163 PolarHBondContact O-N 3.22Å; N163-L165 PolarHBondContact O-N 3.14Å; N163-L165 WeakPolarHBondContact OD1-CB 3.16Å; N163-L165 PolarHBondContact OD1-N 2.99Å; N163-K166 PolarHBondContact O-N 2.74Å; N163-T167 PolarHBondContact O-N 3.09Å; N163-T167 VanDerWaalsContact O-N 3.09Å; N163-K236 WeakPolarHBondContact CB-O 3.2Å; N163-K236 PolarHBondContact ND2-O 3.32Å; N163-S237 WeakPolarHBondContact CB-O 3.05Å; N163-S237 PolarHBondContact N-O 2.91Å; N163-L239 HydrophobicContact CB-CD1 3.82Å; N163-L239 HydrophobicContact CB-CG 4.04Å
164F94.3Very high91.9Very high83 Ų8348 Ų4836%0.36426%0.26SS..THydrogen-bonded Turntrans-63-7.9-179.9-76.5-65.5000115.5V162 K166 T167 H216 L217V162-F164 HydrophobicContact CB-CE2 4.21Å; V162-F164 HydrophobicContact CB-CZ 4.28Å; V162-F164 HydrophobicContact CG1-CD1 4.23Å; V162-F164 HydrophobicContact CG1-CE1 4.08Å; V162-F164 HydrophobicContact CG1-CE2 4.38Å; V162-F164 HydrophobicContact CG1-CG 4.45Å; V162-F164 HydrophobicContact CG1-CZ 4.15Å; V162-F164 PolarHBondContact O-N 3.18Å; F164-K166 VanDerWaalsContact C-N 3.31Å; F164-T167 WeakPolarHBondContact CA-O 3.41Å; F164-H216 VanDerWaalsContact CZ-O 3.23Å; F164-H216 WeakPolarHBondContact CZ-O 3.25Å; F164-L217 HydrophobicContact CD2-CD1 3.91Å; F164-L217 HydrophobicContact CE2-CD1 3.62Å
165L91.7Very high94Very high66 Ų6650.1 Ų50.135%0.34625%0.254SS..THydrogen-bonded Turntrans-78.2-18.5170.7-60175.9000112.9N163 L272 I275N163-L165 PolarHBondContact O-N 3.14Å; N163-L165 WeakPolarHBondContact OD1-CB 3.16Å; N163-L165 PolarHBondContact OD1-N 2.99Å; L165-L272 HydrophobicContact CD1-CD1 3.4Å; L165-L272 VanDerWaalsContact CD1-CD1 3.4Å; L165-L272 HydrophobicContact CD1-CG 4.22Å; L165-I275 HydrophobicContact CD1-CB 4.26Å; L165-I275 HydrophobicContact CD1-CG2 3.77Å; L165-I275 HydrophobicContact CD2-CG2 4.04Å
166K92.1Very high95.4Very high120 Ų12045 Ų4552%0.52223%0.227SC..THydrogen-bonded Turntrans-119.5-26.3-175.6-64-164.372.2170.40114.3N163 F164 S235 K236N163-K166 PolarHBondContact O-N 2.74Å; F164-K166 VanDerWaalsContact C-N 3.31Å; K166-S235 WeakPolarHBondContact CE-O 3.28Å; K166-S235 PolarHBondContact NZ-O 2.73Å; K166-K236 HydrophobicContact CD-CB 4Å
167T96.2Very high96.1Very high21 Ų2147.9 Ų47.913%0.12924%0.24CC..  trans-153.6175.3-169.7-168.50000111.9V162 N163 F164 V172V162-T167 HydrophobicContact CG1-CG2 3.86Å; N163-T167 PolarHBondContact O-N 3.09Å; N163-T167 VanDerWaalsContact O-N 3.09Å; F164-T167 WeakPolarHBondContact CA-O 3.41Å; T167-V172 HydrophobicContact CG2-CG2 3.56Å
168K96.8Very high96.3Very high142 Ų14252.3 Ų52.362%0.61727%0.266SS*.  trans-112.1161170.4-59.2175.7-177.3173.70110.4A170 D171 V172K168-A170 VanDerWaalsContact C-N 3.29Å; K168-A170 PolarHBondContact O-N 2.92Å; K168-D171 WeakPolarHBondContact CB-OD2 3.5Å; K168-D171 PolarHBondContact N-OD2 3.46Å; K168-D171 PolarHBondContact O-N 3.25Å; K168-V172 WeakPolarHBondContact O-CG2 3.35Å; K168-V172 PolarHBondContact O-N 3.29Å
169L97.8Very high96.4Very high32 Ų3254.3 Ų54.317%0.16828%0.28CS..Hα-helixtrans-59.4-40.2177.1175.763.5000112.2V162 V172 I173 L210 P215 L219V162-L169 HydrophobicContact CG2-CB 4.46Å; V162-L169 HydrophobicContact CG2-CD1 3.72Å; L169-V172 PolarHBondContact O-N 2.9Å; L169-I173 HydrophobicContact CD1-CD1 4.01Å; L169-I173 HydrophobicContact CD1-CG1 4.19Å; L169-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 HydrophobicContact CG-CG1 4.48Å; L169-I173 WeakPolarHBondContact O-CG1 3.34Å; L169-I173 PolarHBondContact O-N 3.25Å; L169-L210 HydrophobicContact CD1-CD2 4.05Å; L169-P215 WeakPolarHBondContact CD2-O 3.4Å; L169-L219 HydrophobicContact CD1-CD1 3.91Å
170A97.8Very high96.1Very high65 Ų6557 Ų5754%0.53731%0.31SS..Hα-helixtrans-59-50.6179.300000111.5K168 V172 I173 E174K168-A170 VanDerWaalsContact C-N 3.29Å; K168-A170 PolarHBondContact O-N 2.92Å; A170-V172 VanDerWaalsContact C-N 3.27Å; A170-V172 PolarHBondContact O-N 2.93Å; A170-I173 PolarHBondContact O-N 2.89Å; A170-I173 VanDerWaalsContact O-N 3.09Å; A170-E174 PolarHBondContact O-N 2.87Å
171D97.8Very high96Very high72 Ų7258.5 Ų58.539%0.38532%0.316SS..Hα-helixtrans-61.2-36179.6-44.4-23.3000111.8K168 K175K168-D171 WeakPolarHBondContact CB-OD2 3.5Å; K168-D171 PolarHBondContact N-OD2 3.46Å; K168-D171 PolarHBondContact O-N 3.25Å; D171-K175 VanDerWaalsContact O-CB 3.25Å; D171-K175 WeakPolarHBondContact O-CB 3.36Å; D171-K175 PolarHBondContact O-N 2.93Å
172V98.1Very high96Very high0 Ų064.8 Ų64.80%034%0.343CS..Hα-helixtrans-65.4-44.7174.8168.70000111.5V162 T167 K168 L169 A170 K175 L176 L219 L232 L238V162-V172 HydrophobicContact CG1-CG2 4.16Å; V162-V172 HydrophobicContact CG2-CG2 4.43Å; T167-V172 HydrophobicContact CG2-CG2 3.56Å; K168-V172 WeakPolarHBondContact O-CG2 3.35Å; K168-V172 PolarHBondContact O-N 3.29Å; L169-V172 PolarHBondContact O-N 2.9Å; A170-V172 VanDerWaalsContact C-N 3.27Å; A170-V172 PolarHBondContact O-N 2.93Å; V172-K175 PolarHBondContact O-N 3.27Å; V172-L176 HydrophobicContact CG1-CD1 4.13Å; V172-L176 WeakPolarHBondContact O-CB 3.43Å; V172-L176 WeakPolarHBondContact O-CG 3.41Å; V172-L176 PolarHBondContact O-N 3.49Å; V172-L219 HydrophobicContact CG1-CD2 4.02Å; V172-L232 HydrophobicContact CG1-CD1 4.26Å; V172-L232 HydrophobicContact CG2-CD2 4.44Å; V172-L238 HydrophobicContact CG1-CD1 4.13Å; V172-L238 HydrophobicContact CG1-CD2 3.8Å; V172-L238 HydrophobicContact CG1-CG 4.02Å
173I98.1Very high96Very high25 Ų2566.3 Ų66.313%0.12835%0.35CS..Hα-helixtrans-63.6-49.5178.8-69.2169.7000109.9L169 A170 K175 L176 E177 F208 L210L169-I173 HydrophobicContact CD1-CD1 4.01Å; L169-I173 HydrophobicContact CD1-CG1 4.19Å; L169-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 HydrophobicContact CG-CG1 4.48Å; L169-I173 WeakPolarHBondContact O-CG1 3.34Å; L169-I173 PolarHBondContact O-N 3.25Å; A170-I173 PolarHBondContact O-N 2.89Å; A170-I173 VanDerWaalsContact O-N 3.09Å; I173-K175 VanDerWaalsContact C-N 3.29Å; I173-K175 PolarHBondContact O-N 3.46Å; I173-L176 WeakPolarHBondContact O-CB 3.18Å; I173-L176 PolarHBondContact O-N 3.03Å; I173-L176 VanDerWaalsContact O-N 3.16Å; I173-E177 HydrophobicContact CG2-CG 4.45Å; I173-E177 WeakPolarHBondContact O-CG 3.46Å; I173-E177 PolarHBondContact O-N 3.19Å; I173-F208 HydrophobicContact CG1-CE2 4.34Å; I173-F208 HydrophobicContact CG2-CZ 4.35Å; I173-L210 HydrophobicContact CD1-CD1 4.48Å; I173-L210 HydrophobicContact CD1-CD2 4.3Å
174E97.8Very high96.1Very high126 Ų12667.4 Ų67.459%0.58936%0.358SS*.Hα-helixtrans-57.6-43.1178.2-175.7-175.1168.600111.6A170 E177 T178A170-E174 PolarHBondContact O-N 2.87Å; E174-E177 PolarHBondContact O-N 2.87Å; E174-T178 WeakPolarHBondContact O-CB 3.49Å; E174-T178 PolarHBondContact O-N 3.08Å; E174-T178 PolarHBondContact O-OG1 3.37Å
175K97.1Very high96.2Very high99 Ų9971 Ų7143%0.4337%0.373SS..Hα-helixtrans-67-38.9178.4-172.161.9173.8-177.60112.5D171 V172 I173 C179 L232D171-K175 VanDerWaalsContact O-CB 3.25Å; D171-K175 WeakPolarHBondContact O-CB 3.36Å; D171-K175 PolarHBondContact O-N 2.93Å; V172-K175 PolarHBondContact O-N 3.27Å; I173-K175 VanDerWaalsContact C-N 3.29Å; I173-K175 PolarHBondContact O-N 3.46Å; K175-C179 WeakPolarHBondContact O-CB 3.2Å; K175-C179 PolarHBondContact O-N 3.09Å; K175-C179 VanDerWaalsContact O-N 3.1Å; K175-C179 PolarHBondContact O-SG 3.46Å; K175-L232 HydrophobicContact CB-CD1 4.18Å; K175-L232 HydrophobicContact CB-CD2 4.06Å; K175-L232 HydrophobicContact CB-CG 4.39Å; K175-L232 HydrophobicContact CG-CD1 4.13Å; K175-L232 HydrophobicContact CG-CD2 3.83Å; K175-L232 HydrophobicContact CG-CG 3.94Å
176L97.3Very high96.4Very high3 Ų370.1 Ų70.12%0.01637%0.365CS..Hα-helixtrans-62.3-46.6173.9-78.7171.6000111V172 I173 T178 C179 G180 F181 F208 L219 F221 L230 L232V172-L176 HydrophobicContact CG1-CD1 4.13Å; V172-L176 WeakPolarHBondContact O-CB 3.43Å; V172-L176 WeakPolarHBondContact O-CG 3.41Å; V172-L176 PolarHBondContact O-N 3.49Å; I173-L176 WeakPolarHBondContact O-CB 3.18Å; I173-L176 PolarHBondContact O-N 3.03Å; I173-L176 VanDerWaalsContact O-N 3.16Å; L176-T178 VanDerWaalsContact C-N 3.35Å; L176-T178 PolarHBondContact O-N 3.42Å; L176-C179 CarbonylContact O-C 3.55Å; L176-C179 WeakPolarHBondContact O-CA 3.49Å; L176-C179 WeakPolarHBondContact O-CB 3.3Å; L176-C179 PolarHBondContact O-N 2.77Å; L176-G180 PolarHBondContact O-N 3.38Å; L176-F181 HydrophobicContact CB-CB 4.01Å; L176-F181 HydrophobicContact CD2-CB 4.41Å; L176-F181 HydrophobicContact CD2-CD2 3.95Å; L176-F181 HydrophobicContact CD2-CE2 4.39Å; L176-F181 HydrophobicContact CD2-CG 4.04Å; L176-F181 WeakPolarHBondContact O-CB 3.03Å; L176-F181 PolarHBondContact O-N 2.67Å; L176-F208 HydrophobicContact CB-CE1 3.95Å; L176-F208 HydrophobicContact CB-CZ 4.16Å; L176-F208 HydrophobicContact CD1-CD1 4.28Å; L176-F208 HydrophobicContact CD1-CD2 4.31Å; L176-F208 HydrophobicContact CD1-CE1 4Å; L176-F208 HydrophobicContact CD1-CE2 4.03Å; L176-F208 HydrophobicContact CD1-CG 4.42Å; L176-F208 HydrophobicContact CD1-CZ 3.85Å; L176-L219 HydrophobicContact CD1-CD2 3.39Å; L176-F221 HydrophobicContact CD1-CZ 4.06Å; L176-F221 HydrophobicContact CD2-CE1 4.48Å; L176-F221 HydrophobicContact CD2-CZ 4.44Å; L176-L230 HydrophobicContact CD2-CD1 4.46Å; L176-L232 HydrophobicContact CD1-CD1 4.45Å; L176-L232 HydrophobicContact CD2-CD1 3.69Å; L176-L232 HydrophobicContact CG-CD1 3.56Å
177E97Very high96.5Very high93 Ų9368.1 Ų68.144%0.43536%0.361SS..Hα-helixtrans-61.3-42.5178.5-70.6178.6161.300112I173 E174 C179 G180 F181I173-E177 HydrophobicContact CG2-CG 4.45Å; I173-E177 WeakPolarHBondContact O-CG 3.46Å; I173-E177 PolarHBondContact O-N 3.19Å; E174-E177 PolarHBondContact O-N 2.87Å; E177-C179 PolarHBondContact O-N 3.27Å; E177-G180 PolarHBondContact O-N 3.34Å; E177-F181 WeakPolarHBondContact CA-O 3.29Å
178T95.7Very high96.2Very high105 Ų10570.9 Ų70.964%0.64437%0.368SS*.Hα-helixtrans-61.9-30.7173.5-55.60000112.5E174 L176 G180E174-T178 WeakPolarHBondContact O-CB 3.49Å; E174-T178 PolarHBondContact O-N 3.08Å; E174-T178 PolarHBondContact O-OG1 3.37Å; L176-T178 VanDerWaalsContact C-N 3.35Å; L176-T178 PolarHBondContact O-N 3.42Å; T178-G180 PolarHBondContact O-N 3.25Å
179C92.6Very high95.8Very high72 Ų7268.8 Ų68.849%0.48637%0.372SS..THydrogen-bonded Turntrans-84.39.8175.1-69.90000113.6K175 L176 E177 F181K175-C179 WeakPolarHBondContact O-CB 3.2Å; K175-C179 PolarHBondContact O-N 3.09Å; K175-C179 VanDerWaalsContact O-N 3.1Å; K175-C179 PolarHBondContact O-SG 3.46Å; L176-C179 CarbonylContact O-C 3.55Å; L176-C179 WeakPolarHBondContact O-CA 3.49Å; L176-C179 WeakPolarHBondContact O-CB 3.3Å; L176-C179 PolarHBondContact O-N 2.77Å; E177-C179 PolarHBondContact O-N 3.27Å; C179-F181 HydrophobicContact CB-CD2 4.34Å
180G91.3Very high95.5Very high64 Ų6474 Ų7466%0.6640%0.395SS*.THydrogen-bonded Turntrans84.49.5177.200000114.7L176 E177 T178L176-G180 PolarHBondContact O-N 3.38Å; E177-G180 PolarHBondContact O-N 3.34Å; T178-G180 PolarHBondContact O-N 3.25Å
181F95.5Very high95.3Very high35 Ų3571.5 Ų71.515%0.15437%0.374CS..  trans-79146.2170.6-75.7-100.8000111.1L176 E177 C179 G206 F208 F221 L230L176-F181 HydrophobicContact CB-CB 4.01Å; L176-F181 HydrophobicContact CD2-CB 4.41Å; L176-F181 HydrophobicContact CD2-CD2 3.95Å; L176-F181 HydrophobicContact CD2-CE2 4.39Å; L176-F181 HydrophobicContact CD2-CG 4.04Å; L176-F181 WeakPolarHBondContact O-CB 3.03Å; L176-F181 PolarHBondContact O-N 2.67Å; E177-F181 WeakPolarHBondContact CA-O 3.29Å; C179-F181 HydrophobicContact CB-CD2 4.34Å; F181-G206 CarbonylContact C-O 3.48Å; F181-G206 WeakPolarHBondContact CA-O 3.44Å; F181-G206 WeakPolarHBondContact CB-O 3.21Å; F181-G206 WeakPolarHBondContact CD1-O 3.45Å; F181-F208 HydrophobicContact CB-CD1 3.94Å; F181-F208 HydrophobicContact CB-CE1 3.96Å; F181-F208 HydrophobicContact CD1-CD1 4.46Å; F181-F221 HydrophobicContact CD1-CD1 4.46Å; F181-F221 HydrophobicContact CD1-CE1 4.05Å; F181-F221 HydrophobicContact CE1-CD1 4.21Å; F181-F221 HydrophobicContact CE1-CE1 4Å; F181-L230 HydrophobicContact CE2-CD2 3.61Å; F181-L230 HydrophobicContact CZ-CD2 3.61Å
182K96.7Very high95Very high131 Ų13170.8 Ų70.857%0.5737%0.374SS*.EExtended strand (participates in β ladder)trans-112.8124.7177-177.4-175.9175.6-169.50110.9V184 G206 E207 F208K182-V184 PolarHBondContact O-N 3.16Å; K182-G206 PolarHBondContact N-O 3.37Å; K182-E207 HydrophobicContact CB-CG 4.48Å; K182-E207 WeakPolarHBondContact O-CA 3.41Å; K182-F208 PolarHBondContact O-N 3.29Å
183Q98Very high94.8Very high32 Ų3272.4 Ų72.415%0.1538%0.38CS..EExtended strand (participates in β ladder)trans-75.5117.9171.1-167.6-17417.900110.7K185 F208Q183-K185 HydrophobicContact CG-CG 4.33Å; Q183-K185 PolarHBondContact O-N 3.2Å; Q183-F208 WeakPolarHBondContact CA-O 3.36Å; Q183-F208 HydrophobicContact CB-CE1 3.93Å; Q183-F208 HydrophobicContact CB-CE2 4Å; Q183-F208 HydrophobicContact CB-CZ 3.59Å; Q183-F208 HydrophobicContact CG-CD2 4.36Å; Q183-F208 HydrophobicContact CG-CE2 3.78Å; Q183-F208 HydrophobicContact CG-CZ 3.91Å
184V97.8Very high94.5Very high30 Ų3079.1 Ų79.118%0.18240%0.404CS..  trans-86.1102.2170.8177.60000108.9K182 L203 E207 F208 M209K182-V184 PolarHBondContact O-N 3.16Å; V184-L203 HydrophobicContact CB-CD2 3.92Å; V184-L203 HydrophobicContact CG1-CD2 4.36Å; V184-L203 HydrophobicContact CG2-CD2 3.76Å; V184-E207 HydrophobicContact CG2-CB 3.94Å; V184-E207 VanDerWaalsContact CG2-CD 3.49Å; V184-E207 HydrophobicContact CG2-CG 4.09Å; V184-F208 PolarHBondContact N-O 2.61Å; V184-M209 HydrophobicContact CB-CG 3.88Å; V184-M209 HydrophobicContact CG1-CG 4.3Å; V184-M209 HydrophobicContact CG1-SD 4.43Å; V184-M209 WeakPolarHBondContact O-CG 3.22Å
185K96.9Very high94.3Very high159 Ų15978.9 Ų78.969%0.69140%0.401SS*.  trans-77154.1179.4-62-177.7-178178.30111.6Q183Q183-K185 HydrophobicContact CG-CG 4.33Å; Q183-K185 PolarHBondContact O-N 3.2Å
186Y95.9Very high94.2Very high46 Ų4674.2 Ų74.218%0.1838%0.381CS..  trans-151.2148.4172.565.5-78.5000109T191 F196 M209 L210 D211 Y212Y186-T191 HydrophobicContact CD2-CG2 4.29Å; Y186-F196 HydrophobicContact CD1-CD2 4.27Å; Y186-F196 HydrophobicContact CD1-CE2 4.28Å; Y186-F196 HydrophobicContact CD2-CD2 4.22Å; Y186-F196 AromaticContact CE1-CD2 3.85Å; Y186-F196 HydrophobicContact CE1-CD2 3.85Å; Y186-F196 AromaticContact CE1-CE2 3.56Å; Y186-F196 HydrophobicContact CE1-CE2 3.56Å; Y186-F196 AromaticContact CE2-CD2 3.79Å; Y186-F196 HydrophobicContact CE2-CD2 3.79Å; Y186-F196 HydrophobicContact CE2-CE2 4.19Å; Y186-F196 HydrophobicContact CG-CD2 4.44Å; Y186-F196 AromaticContact CZ-CD2 3.59Å; Y186-F196 AromaticContact CZ-CE2 3.5Å; Y186-M209 HydrophobicContact CD1-CE 3.27Å; Y186-M209 HydrophobicContact CE1-CE 3.77Å; Y186-M209 HydrophobicContact CG-CE 3.96Å; Y186-L210 VanDerWaalsContact CE1-O 3.27Å; Y186-L210 WeakPolarHBondContact CE1-O 3.4Å; Y186-L210 PolarHBondContact OH-O 3.44Å; Y186-D211 VanDerWaalsContact OH-C 3.29Å; Y186-D211 PolarHBondContact OH-O 3.32Å; Y186-D211 VanDerWaalsContact OH-O 3.12Å; Y186-Y212 AromaticContact CE2-CD2 3.9Å; Y186-Y212 HydrophobicContact CE2-CD2 3.9Å; Y186-Y212 HydrophobicContact CE2-CE2 4.41Å; Y186-Y212 VanDerWaalsContact OH-CA 3.24Å; Y186-Y212 WeakPolarHBondContact OH-CA 3.34Å; Y186-Y212 PolarHBondContact OH-N 3.19Å
187D93.8Very high94Very high79 Ų7977.2 Ų77.242%0.42239%0.392SS..  trans-89.6126.8167.8-172.4-6.9000109.7S189 E190 T191D187-S189 VanDerWaalsContact C-N 3.27Å; D187-S189 PolarHBondContact O-N 3.15Å; D187-S189 WeakPolarHBondContact OD1-CB 3.23Å; D187-S189 PolarHBondContact OD1-N 2.86Å; D187-S189 PolarHBondContact OD1-OG 3.19Å; D187-S189 PolarHBondContact OD2-OG 2.95Å; D187-E190 HydrophobicContact CB-CG 4.35Å; D187-E190 PolarHBondContact O-N 3.42Å; D187-T191 WeakPolarHBondContact O-CB 3.2Å; D187-T191 PolarHBondContact O-N 3.4Å; D187-T191 PolarHBondContact O-OG1 2.85Å
188R89.9Confident93.8Very high78 Ų7878.5 Ų78.529%0.29440%0.396SS..THydrogen-bonded Turntrans-66.2-29.4176.3-173.2-171.5-73.7163-1.6111.6E190 Y212 P215 T410R188-E190 VanDerWaalsContact C-N 3.3Å; R188-E190 PolarHBondContact O-N 3.08Å; R188-Y212 HydrophobicContact CG-CE2 3.87Å; R188-Y212 PolarHBondContact NE-O 2.88Å; R188-Y212 PolarHBondContact NH2-O 3.37Å; R188-P215 VanDerWaalsContact NH2-CD 3.3Å; R188-T410 PolarHBondContact NH1-O 2.8Å
189S89.3Confident93.8Very high98 Ų9877.6 Ų77.669%0.68538%0.383SS*.THydrogen-bonded Turntrans-65.5-34.717981.90000111.8D187D187-S189 VanDerWaalsContact C-N 3.27Å; D187-S189 PolarHBondContact O-N 3.15Å; D187-S189 WeakPolarHBondContact OD1-CB 3.23Å; D187-S189 PolarHBondContact OD1-N 2.86Å; D187-S189 PolarHBondContact OD1-OG 3.19Å; D187-S189 PolarHBondContact OD2-OG 2.95Å
190E91.5Very high93.8Very high142 Ų14274.4 Ų74.466%0.66436%0.362SS*.THydrogen-bonded Turntrans-100.7-22-177-55.3-176.7165.500113.7D187 R188 K195D187-E190 HydrophobicContact CB-CG 4.35Å; D187-E190 PolarHBondContact O-N 3.42Å; R188-E190 VanDerWaalsContact C-N 3.3Å; R188-E190 PolarHBondContact O-N 3.08Å; E190-K195 PolarHBondContact O-NZ 3.02Å
191T93.2Very high93.7Very high13 Ų1376.1 Ų76.18%0.0836%0.362CS..  trans-10696.6-174.2-54.80000110.6Y186 D187 K195 F196 K199 Y212Y186-T191 HydrophobicContact CD2-CG2 4.29Å; D187-T191 WeakPolarHBondContact O-CB 3.2Å; D187-T191 PolarHBondContact O-N 3.4Å; D187-T191 PolarHBondContact O-OG1 2.85Å; T191-K195 HydrophobicContact CG2-CB 3.75Å; T191-F196 HydrophobicContact CG2-CB 4.16Å; T191-K199 HydrophobicContact CG2-CD 4.36Å; T191-Y212 WeakPolarHBondContact O-CE2 3.36Å
192S92.6Very high93.5Very high56 Ų5682.4 Ų82.439%0.39239%0.39SS..  trans-59156.3171.271.80000112.5R194 K195 F196S192-R194 PolarHBondContact O-N 3.07Å; S192-K195 CarbonylContact O-C 3.55Å; S192-K195 WeakPolarHBondContact O-CA 3.37Å; S192-K195 WeakPolarHBondContact O-CB 3.48Å; S192-K195 PolarHBondContact O-N 3.27Å; S192-K195 PolarHBondContact OG-N 2.82Å; S192-F196 PolarHBondContact O-N 2.84Å
193Y92.8Very high93.2Very high35 Ų3577 Ų7714%0.13737%0.366CS..Hα-helixtrans-54.9-33.6177.5-171.7-130.6000113K195 F196 R197 Y212 H213 K243 D435Y193-K195 PolarHBondContact O-N 3.01Å; Y193-F196 HydrophobicContact CD2-CB 4.32Å; Y193-F196 AromaticContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CG 4.4Å; Y193-F196 AromaticContact CE2-CD1 3.7Å; Y193-F196 HydrophobicContact CE2-CD1 3.7Å; Y193-F196 HydrophobicContact CE2-CE1 4.16Å; Y193-F196 WeakPolarHBondContact O-CB 3.42Å; Y193-F196 PolarHBondContact O-N 3.06Å; Y193-R197 HydrophobicContact CD1-CG 4.45Å; Y193-R197 HydrophobicContact CD2-CG 4.42Å; Y193-R197 HydrophobicContact CE1-CG 4.16Å; Y193-R197 HydrophobicContact CE2-CG 4.11Å; Y193-R197 WeakPolarHBondContact O-CG 3.44Å; Y193-R197 PolarHBondContact O-N 3.21Å; Y193-Y212 AromaticContact CD2-CD1 3.57Å; Y193-Y212 HydrophobicContact CD2-CD1 3.57Å; Y193-Y212 HydrophobicContact CD2-CD2 4.16Å; Y193-Y212 HydrophobicContact CD2-CE1 4.17Å; Y193-Y212 AromaticContact CD2-CG 3.54Å; Y193-Y212 HydrophobicContact CD2-CG 3.54Å; Y193-Y212 HydrophobicContact CE2-CD1 4.3Å; Y193-Y212 HydrophobicContact CE2-CG 4.17Å; Y193-Y212 HydrophobicContact CG-CD1 4.15Å; Y193-Y212 HydrophobicContact CG-CE1 4.35Å; Y193-Y212 HydrophobicContact CG-CG 4.47Å; Y193-H213 AromaticContact CD2-CE1 3.7Å; Y193-H213 AromaticContact CE1-CE1 3.92Å; Y193-H213 AromaticContact CE2-CE1 3.46Å; Y193-H213 VanDerWaalsContact CE2-CE1 3.46Å; Y193-H213 WeakPolarHBondContact CE2-CE1 3.23Å; Y193-H213 AromaticContact CE2-ND1 3.92Å; Y193-H213 AromaticContact CZ-CE1 3.55Å; Y193-K243 PolarHBondContact OH-NZ 3.05Å; Y193-K243 VanDerWaalsContact OH-NZ 3.1Å; Y193-D435 PolarHBondContact OH-O 2.81Å
194R91.5Very high92.7Very high166 Ų16680.7 Ų80.763%0.62639%0.388SS*.Hα-helixtrans-62.6-42.2173.4-176.1-179.9-179.4-167.80.5112S192 K198S192-R194 PolarHBondContact O-N 3.07Å; R194-K198 WeakPolarHBondContact O-CG 3.49Å; R194-K198 PolarHBondContact O-N 3.16Å
195K94.3Very high92.2Very high121 Ų12185.8 Ų85.853%0.52640%0.404SS..Hα-helixtrans-68.5-40.7174.9-69.5-179.5-176.21750110.9E190 T191 S192 Y193 K198 K199E190-K195 PolarHBondContact O-NZ 3.02Å; T191-K195 HydrophobicContact CG2-CB 3.75Å; S192-K195 CarbonylContact O-C 3.55Å; S192-K195 WeakPolarHBondContact O-CA 3.37Å; S192-K195 WeakPolarHBondContact O-CB 3.48Å; S192-K195 PolarHBondContact O-N 3.27Å; S192-K195 PolarHBondContact OG-N 2.82Å; Y193-K195 PolarHBondContact O-N 3.01Å; K195-K198 WeakPolarHBondContact O-CB 3.43Å; K195-K198 PolarHBondContact O-N 3.12Å; K195-K199 PolarHBondContact O-N 3.44Å
196F95.4Very high91.8Very high0 Ų079.5 Ų79.50%038%0.384CS..Hα-helixtrans-56.6-50.5174.4174.8-91.7000111.6Y186 T191 S192 Y193 K198 K199 V200 M209 L210 Y212 V220Y186-F196 HydrophobicContact CD1-CD2 4.27Å; Y186-F196 HydrophobicContact CD1-CE2 4.28Å; Y186-F196 HydrophobicContact CD2-CD2 4.22Å; Y186-F196 AromaticContact CE1-CD2 3.85Å; Y186-F196 HydrophobicContact CE1-CD2 3.85Å; Y186-F196 AromaticContact CE1-CE2 3.56Å; Y186-F196 HydrophobicContact CE1-CE2 3.56Å; Y186-F196 AromaticContact CE2-CD2 3.79Å; Y186-F196 HydrophobicContact CE2-CD2 3.79Å; Y186-F196 HydrophobicContact CE2-CE2 4.19Å; Y186-F196 HydrophobicContact CG-CD2 4.44Å; Y186-F196 AromaticContact CZ-CD2 3.59Å; Y186-F196 AromaticContact CZ-CE2 3.5Å; T191-F196 HydrophobicContact CG2-CB 4.16Å; S192-F196 PolarHBondContact O-N 2.84Å; Y193-F196 HydrophobicContact CD2-CB 4.32Å; Y193-F196 AromaticContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CG 4.4Å; Y193-F196 AromaticContact CE2-CD1 3.7Å; Y193-F196 HydrophobicContact CE2-CD1 3.7Å; Y193-F196 HydrophobicContact CE2-CE1 4.16Å; Y193-F196 WeakPolarHBondContact O-CB 3.42Å; Y193-F196 PolarHBondContact O-N 3.06Å; F196-K198 VanDerWaalsContact C-N 3.26Å; F196-K198 PolarHBondContact O-N 3.48Å; F196-K199 WeakPolarHBondContact O-CA 3.26Å; F196-K199 WeakPolarHBondContact O-CB 3.44Å; F196-K199 PolarHBondContact O-N 2.86Å; F196-V200 HydrophobicContact CD1-CG2 4.01Å; F196-V200 HydrophobicContact CE1-CG2 3.5Å; F196-V200 VanDerWaalsContact CE1-CG2 3.5Å; F196-V200 HydrophobicContact CE2-CG2 4.19Å; F196-V200 HydrophobicContact CZ-CG2 3.6Å; F196-V200 PolarHBondContact O-N 3.47Å; F196-M209 HydrophobicContact CD2-CE 3.84Å; F196-M209 HydrophobicContact CE2-CB 4.5Å; F196-M209 HydrophobicContact CE2-CE 3.74Å; F196-M209 HydrophobicContact CE2-SD 4.41Å; F196-L210 WeakPolarHBondContact CE2-O 3.17Å; F196-Y212 HydrophobicContact CB-CD2 3.82Å; F196-Y212 HydrophobicContact CB-CE2 4.36Å; F196-Y212 HydrophobicContact CD1-CD2 4.44Å; F196-Y212 HydrophobicContact CD1-CG 4.44Å; F196-Y212 AromaticContact CD2-CD2 4Å; F196-Y212 HydrophobicContact CD2-CD2 4Å; F196-Y212 AromaticContact CG-CD2 3.83Å; F196-Y212 HydrophobicContact CG-CD2 3.83Å; F196-Y212 HydrophobicContact CG-CG 4.27Å; F196-V220 HydrophobicContact CZ-CG2 4.28Å
197R93Very high91.8Very high66 Ų6679 Ų7925%0.24938%0.383CS..Hα-helixtrans-57-39.8177-67.8-175.1-57.4-1720.5112.3Y193 K199 V200 C201 K434 L436Y193-R197 HydrophobicContact CD1-CG 4.45Å; Y193-R197 HydrophobicContact CD2-CG 4.42Å; Y193-R197 HydrophobicContact CE1-CG 4.16Å; Y193-R197 HydrophobicContact CE2-CG 4.11Å; Y193-R197 WeakPolarHBondContact O-CG 3.44Å; Y193-R197 PolarHBondContact O-N 3.21Å; R197-K199 VanDerWaalsContact C-N 3.33Å; R197-K199 PolarHBondContact O-N 2.88Å; R197-V200 PolarHBondContact O-N 3.08Å; R197-C201 PolarHBondContact O-N 2.79Å; R197-C201 PolarHBondContact O-SG 3.1Å; R197-K434 VanDerWaalsContact CD-O 3.31Å; R197-K434 WeakPolarHBondContact CD-O 3.4Å; R197-K434 PolarHBondContact NH1-O 2.89Å; R197-L436 HydrophobicContact CB-CD1 3.97Å; R197-L436 HydrophobicContact CB-CG 4.37Å; R197-L436 HydrophobicContact CG-CD1 3.71Å; R197-L436 HydrophobicContact CG-CG 3.89Å
198K92.3Very high91.9Very high121 Ų12175.2 Ų75.253%0.52636%0.363SS..Hα-helixtrans-64.1-36.1175.2-71.8-179.7178.4-175.40112.5R194 K195 F196 K202R194-K198 WeakPolarHBondContact O-CG 3.49Å; R194-K198 PolarHBondContact O-N 3.16Å; K195-K198 WeakPolarHBondContact O-CB 3.43Å; K195-K198 PolarHBondContact O-N 3.12Å; F196-K198 VanDerWaalsContact C-N 3.26Å; F196-K198 PolarHBondContact O-N 3.48Å; K198-K202 VanDerWaalsContact O-CG 3.3Å; K198-K202 WeakPolarHBondContact O-CG 3.06Å; K198-K202 PolarHBondContact O-N 2.87Å
199K94.7Very high92.3Very high85 Ų8571.5 Ų71.537%0.3735%0.349SS..Hα-helixtrans-67.1-47.3174.4-75.3175.8169.8-84.40110.8T191 K195 F196 R197 C201 K202 L203 M209T191-K199 HydrophobicContact CG2-CD 4.36Å; K195-K199 PolarHBondContact O-N 3.44Å; F196-K199 WeakPolarHBondContact O-CA 3.26Å; F196-K199 WeakPolarHBondContact O-CB 3.44Å; F196-K199 PolarHBondContact O-N 2.86Å; R197-K199 VanDerWaalsContact C-N 3.33Å; R197-K199 PolarHBondContact O-N 2.88Å; K199-C201 VanDerWaalsContact C-N 3.32Å; K199-C201 PolarHBondContact O-N 3.34Å; K199-K202 CarbonylContact O-C 3.53Å; K199-K202 WeakPolarHBondContact O-CA 3.45Å; K199-K202 PolarHBondContact O-N 2.96Å; K199-L203 PolarHBondContact O-N 3.34Å; K199-L203 VanDerWaalsContact O-N 3.09Å; K199-M209 HydrophobicContact CB-CE 4.05Å; K199-M209 HydrophobicContact CB-SD 4.01Å; K199-M209 HydrophobicContact CD-CE 4.15Å
200V93.4Very high92.7Very high6 Ų668.2 Ų68.24%0.03632%0.324CS..Hα-helixtrans-56.7-44.5177.3174.30000111.9P157 F196 R197 K202 L203 M209 V220 L436P157-V200 HydrophobicContact CB-CG1 3.68Å; P157-V200 HydrophobicContact CG-CG1 3.95Å; F196-V200 HydrophobicContact CD1-CG2 4.01Å; F196-V200 HydrophobicContact CE1-CG2 3.5Å; F196-V200 VanDerWaalsContact CE1-CG2 3.5Å; F196-V200 HydrophobicContact CE2-CG2 4.19Å; F196-V200 HydrophobicContact CZ-CG2 3.6Å; F196-V200 PolarHBondContact O-N 3.47Å; R197-V200 PolarHBondContact O-N 3.08Å; V200-K202 PolarHBondContact O-N 3.43Å; V200-K202 VanDerWaalsContact O-N 3.13Å; V200-L203 HydrophobicContact CG1-CD1 4.45Å; V200-L203 PolarHBondContact O-N 3Å; V200-M209 HydrophobicContact CG2-SD 4.04Å; V200-V220 HydrophobicContact CG1-CG1 3.67Å; V200-V220 HydrophobicContact CG2-CG1 4.08Å; V200-L436 HydrophobicContact CB-CD1 3.98Å; V200-L436 HydrophobicContact CG1-CD1 3.9Å; V200-L436 HydrophobicContact CG2-CD1 4.37Å
201C88.9Confident93Very high100 Ų10061.5 Ų61.568%0.67629%0.292SS*.THydrogen-bonded Turntrans-65.8-12.7176.8-65.20000114.4R197 K199R197-C201 PolarHBondContact O-N 2.79Å; R197-C201 PolarHBondContact O-SG 3.1Å; K199-C201 VanDerWaalsContact C-N 3.32Å; K199-C201 PolarHBondContact O-N 3.34Å
202K91Very high93.1Very high167 Ų16762 Ų6273%0.72629%0.293SS*.THydrogen-bonded Turntrans-110.51.2-179.7-70.9-179.3177-166.90113K198 K199 V200 D204K198-K202 VanDerWaalsContact O-CG 3.3Å; K198-K202 WeakPolarHBondContact O-CG 3.06Å; K198-K202 PolarHBondContact O-N 2.87Å; K199-K202 CarbonylContact O-C 3.53Å; K199-K202 WeakPolarHBondContact O-CA 3.45Å; K199-K202 PolarHBondContact O-N 2.96Å; V200-K202 PolarHBondContact O-N 3.43Å; V200-K202 VanDerWaalsContact O-N 3.13Å; K202-D204 PolarHBondContact O-N 2.92Å
203L90.3Very high93.2Very high16 Ų1659.8 Ų59.88%0.08428%0.276CS..PPolyproline II helixtrans-60.6133.1177.8-74.3168.9000110.1V184 K199 V200 E207 M209 P222V184-L203 HydrophobicContact CB-CD2 3.92Å; V184-L203 HydrophobicContact CG1-CD2 4.36Å; V184-L203 HydrophobicContact CG2-CD2 3.76Å; K199-L203 PolarHBondContact O-N 3.34Å; K199-L203 VanDerWaalsContact O-N 3.09Å; V200-L203 HydrophobicContact CG1-CD1 4.45Å; V200-L203 PolarHBondContact O-N 3Å; L203-E207 HydrophobicContact CD2-CB 3.91Å; L203-M209 HydrophobicContact CD1-CG 3.85Å; L203-M209 HydrophobicContact CD1-SD 3.92Å; L203-M209 HydrophobicContact CD2-CG 3.67Å; L203-M209 HydrophobicContact CD2-SD 3.82Å; L203-M209 HydrophobicContact CG-CG 4.25Å; L203-M209 HydrophobicContact CG-SD 4.05Å; L203-P222 HydrophobicContact CB-CB 4.42Å; L203-P222 HydrophobicContact CB-CG 3.71Å
204D89.1Confident93.3Very high111 Ų11158.1 Ų58.159%0.59427%0.27SS*.PPolyproline II helixtrans-83.6165.7175.6-75.6-47.6000111.3K202 G206 E207 P222K202-D204 PolarHBondContact O-N 2.92Å; D204-G206 PolarHBondContact O-N 3.39Å; D204-E207 HydrophobicContact CB-CG 4.24Å; D204-E207 PolarHBondContact N-OE2 3.42Å; D204-E207 VanDerWaalsContact N-OE2 3.11Å; D204-E207 WeakPolarHBondContact O-CB 3.22Å; D204-E207 PolarHBondContact O-N 3.11Å; D204-P222 WeakPolarHBondContact O-CG 2.97Å
205R87.2Confident93.5Very high137 Ų13751.8 Ų51.852%0.51725%0.25SC..THydrogen-bonded Turntrans-62.1138.2174.6-69.5179.5173.4-167.5-7.9109.6E147 N148 R149E147-R205 PolarHBondContact O-NH1 3.01Å; N148-R205 VanDerWaalsContact CA-NH1 3.29Å; R149-R205 PolarHBondContact O-NH2 3.34Å
206G87.7Confident93.5Very high27 Ų2750.3 Ų50.328%0.27825%0.245SC..THydrogen-bonded Turntrans81.7-1.6-17300000113.5F181 K182 D204F181-G206 CarbonylContact C-O 3.48Å; F181-G206 WeakPolarHBondContact CA-O 3.44Å; F181-G206 WeakPolarHBondContact CB-O 3.21Å; F181-G206 WeakPolarHBondContact CD1-O 3.45Å; K182-G206 PolarHBondContact N-O 3.37Å; D204-G206 PolarHBondContact O-N 3.39Å
207E95.1Very high93.6Very high35 Ų3550.5 Ų50.516%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-100.3153.5173.7-60-168140.100112.3K182 V184 L203 D204 P222K182-E207 HydrophobicContact CB-CG 4.48Å; K182-E207 WeakPolarHBondContact O-CA 3.41Å; V184-E207 HydrophobicContact CG2-CB 3.94Å; V184-E207 VanDerWaalsContact CG2-CD 3.49Å; V184-E207 HydrophobicContact CG2-CG 4.09Å; L203-E207 HydrophobicContact CD2-CB 3.91Å; D204-E207 HydrophobicContact CB-CG 4.24Å; D204-E207 PolarHBondContact N-OE2 3.42Å; D204-E207 VanDerWaalsContact N-OE2 3.11Å; D204-E207 WeakPolarHBondContact O-CB 3.22Å; D204-E207 PolarHBondContact O-N 3.11Å; E207-P222 WeakPolarHBondContact O-CD 3.39Å
208F97.1Very high93.8Very high0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-147.4161.6170.971.4-80.9000111.4I173 L176 F181 K182 Q183 V184 L219 V220 F221I173-F208 HydrophobicContact CG1-CE2 4.34Å; I173-F208 HydrophobicContact CG2-CZ 4.35Å; L176-F208 HydrophobicContact CB-CE1 3.95Å; L176-F208 HydrophobicContact CB-CZ 4.16Å; L176-F208 HydrophobicContact CD1-CD1 4.28Å; L176-F208 HydrophobicContact CD1-CD2 4.31Å; L176-F208 HydrophobicContact CD1-CE1 4Å; L176-F208 HydrophobicContact CD1-CE2 4.03Å; L176-F208 HydrophobicContact CD1-CG 4.42Å; L176-F208 HydrophobicContact CD1-CZ 3.85Å; F181-F208 HydrophobicContact CB-CD1 3.94Å; F181-F208 HydrophobicContact CB-CE1 3.96Å; F181-F208 HydrophobicContact CD1-CD1 4.46Å; K182-F208 PolarHBondContact O-N 3.29Å; Q183-F208 WeakPolarHBondContact CA-O 3.36Å; Q183-F208 HydrophobicContact CB-CE1 3.93Å; Q183-F208 HydrophobicContact CB-CE2 4Å; Q183-F208 HydrophobicContact CB-CZ 3.59Å; Q183-F208 HydrophobicContact CG-CD2 4.36Å; Q183-F208 HydrophobicContact CG-CE2 3.78Å; Q183-F208 HydrophobicContact CG-CZ 3.91Å; V184-F208 PolarHBondContact N-O 2.61Å; F208-L219 HydrophobicContact CD2-CD2 3.8Å; F208-L219 HydrophobicContact CD2-CG 4.32Å; F208-L219 HydrophobicContact CE2-CD2 3.87Å; F208-V220 WeakPolarHBondContact CA-O 3.13Å; F208-F221 HydrophobicContact CB-CD1 3.67Å; F208-F221 HydrophobicContact CB-CE1 3.53Å; F208-F221 HydrophobicContact CB-CE2 4.5Å; F208-F221 HydrophobicContact CB-CG 4.23Å; F208-F221 HydrophobicContact CB-CZ 3.98Å; F208-F221 HydrophobicContact CG-CE1 4.15Å; F208-F221 HydrophobicContact CG-CZ 4.38Å
209M98.2Very high94.1Very high0 Ų041.6 Ų41.60%021%0.209CC..EExtended strand (participates in β ladder)trans-128.8157.8174-61.617872.900109.9V184 Y186 F196 K199 V200 L203 L219 V220V184-M209 HydrophobicContact CB-CG 3.88Å; V184-M209 HydrophobicContact CG1-CG 4.3Å; V184-M209 HydrophobicContact CG1-SD 4.43Å; V184-M209 WeakPolarHBondContact O-CG 3.22Å; Y186-M209 HydrophobicContact CD1-CE 3.27Å; Y186-M209 HydrophobicContact CE1-CE 3.77Å; Y186-M209 HydrophobicContact CG-CE 3.96Å; F196-M209 HydrophobicContact CD2-CE 3.84Å; F196-M209 HydrophobicContact CE2-CB 4.5Å; F196-M209 HydrophobicContact CE2-CE 3.74Å; F196-M209 HydrophobicContact CE2-SD 4.41Å; K199-M209 HydrophobicContact CB-CE 4.05Å; K199-M209 HydrophobicContact CB-SD 4.01Å; K199-M209 HydrophobicContact CD-CE 4.15Å; V200-M209 HydrophobicContact CG2-SD 4.04Å; L203-M209 HydrophobicContact CD1-CG 3.85Å; L203-M209 HydrophobicContact CD1-SD 3.92Å; L203-M209 HydrophobicContact CD2-CG 3.67Å; L203-M209 HydrophobicContact CD2-SD 3.82Å; L203-M209 HydrophobicContact CG-CG 4.25Å; L203-M209 HydrophobicContact CG-SD 4.05Å; M209-L219 CarbonylContact O-C 3.56Å; M209-L219 WeakPolarHBondContact O-CA 3.45Å; M209-V220 PolarHBondContact N-O 2.9Å; M209-V220 PolarHBondContact O-N 2.76Å
210L98.2Very high94.3Very high29 Ų2937.5 Ų37.515%0.15219%0.191CC..EExtended strand (participates in β ladder)trans-79142.2163-59.8179.7000109.7L169 I173 Y186 F196 P215 L219L169-L210 HydrophobicContact CD1-CD2 4.05Å; I173-L210 HydrophobicContact CD1-CD1 4.48Å; I173-L210 HydrophobicContact CD1-CD2 4.3Å; Y186-L210 VanDerWaalsContact CE1-O 3.27Å; Y186-L210 WeakPolarHBondContact CE1-O 3.4Å; Y186-L210 PolarHBondContact OH-O 3.44Å; F196-L210 WeakPolarHBondContact CE2-O 3.17Å; L210-P215 HydrophobicContact CB-CB 3.93Å; L210-L219 HydrophobicContact CD2-CG 4.11Å
211D97.3Very high94.3Very high0 Ų037.2 Ų37.20%019%0.189CC..  trans-61.3148.6-178.6-17960.9000112.4Y186 H213 L214 P215 L218 V220 K243Y186-D211 VanDerWaalsContact OH-C 3.29Å; Y186-D211 PolarHBondContact OH-O 3.32Å; Y186-D211 VanDerWaalsContact OH-O 3.12Å; D211-H213 PolarHBondContact O-N 3.43Å; D211-H213 WeakPolarHBondContact OD2-CA 3.42Å; D211-H213 PolarHBondContact OD2-N 3.39Å; D211-L214 PolarHBondContact OD2-N 3.02Å; D211-P215 VanDerWaalsContact O-CA 3.3Å; D211-P215 WeakPolarHBondContact O-CA 3.38Å; D211-P215 VanDerWaalsContact O-CB 3.29Å; D211-P215 WeakPolarHBondContact O-CB 3.19Å; D211-P215 WeakPolarHBondContact O-CD 2.89Å; D211-L218 HydrophobicContact CB-CB 3.87Å; D211-L218 HydrophobicContact CB-CD2 4.03Å; D211-L218 HydrophobicContact CB-CG 4.31Å; D211-L218 PolarHBondContact N-O 3.2Å; D211-V220 HydrophobicContact CB-CG2 3.86Å; D211-K243 WeakPolarHBondContact OD1-CD 3.45Å; D211-K243 VanDerWaalsContact OD1-CE 3.22Å; D211-K243 WeakPolarHBondContact OD1-CE 3.28Å; D211-K243 IonicContact OD1-NZ 3.94Å; D211-K243 PolarHBondContact OD1-NZ 3.38Å; D211-K243 WeakPolarHBondContact OD2-CE 3.38Å; D211-K243 IonicContact OD2-NZ 3.69Å; D211-K243 PolarHBondContact OD2-NZ 3.38Å
212Y95.9Very high94.4Very high25 Ų2533.2 Ų33.210%0.09816%0.162CC..SBendtrans-62-42.4179.7-168.5-95.8000113.6Y186 R188 T191 Y193 F196 P412Y186-Y212 AromaticContact CE2-CD2 3.9Å; Y186-Y212 HydrophobicContact CE2-CD2 3.9Å; Y186-Y212 HydrophobicContact CE2-CE2 4.41Å; Y186-Y212 VanDerWaalsContact OH-CA 3.24Å; Y186-Y212 WeakPolarHBondContact OH-CA 3.34Å; Y186-Y212 PolarHBondContact OH-N 3.19Å; R188-Y212 HydrophobicContact CG-CE2 3.87Å; R188-Y212 PolarHBondContact NE-O 2.88Å; R188-Y212 PolarHBondContact NH2-O 3.37Å; T191-Y212 WeakPolarHBondContact O-CE2 3.36Å; Y193-Y212 AromaticContact CD2-CD1 3.57Å; Y193-Y212 HydrophobicContact CD2-CD1 3.57Å; Y193-Y212 HydrophobicContact CD2-CD2 4.16Å; Y193-Y212 HydrophobicContact CD2-CE1 4.17Å; Y193-Y212 AromaticContact CD2-CG 3.54Å; Y193-Y212 HydrophobicContact CD2-CG 3.54Å; Y193-Y212 HydrophobicContact CE2-CD1 4.3Å; Y193-Y212 HydrophobicContact CE2-CG 4.17Å; Y193-Y212 HydrophobicContact CG-CD1 4.15Å; Y193-Y212 HydrophobicContact CG-CE1 4.35Å; Y193-Y212 HydrophobicContact CG-CG 4.47Å; F196-Y212 HydrophobicContact CB-CD2 3.82Å; F196-Y212 HydrophobicContact CB-CE2 4.36Å; F196-Y212 HydrophobicContact CD1-CD2 4.44Å; F196-Y212 HydrophobicContact CD1-CG 4.44Å; F196-Y212 AromaticContact CD2-CD2 4Å; F196-Y212 HydrophobicContact CD2-CD2 4Å; F196-Y212 AromaticContact CG-CD2 3.83Å; F196-Y212 HydrophobicContact CG-CD2 3.83Å; F196-Y212 HydrophobicContact CG-CG 4.27Å; Y212-P412 HydrophobicContact CD1-CB 3.81Å; Y212-P412 HydrophobicContact CD1-CG 4.25Å; Y212-P412 HydrophobicContact CE1-CB 3.42Å; Y212-P412 VanDerWaalsContact CE1-CB 3.42Å; Y212-P412 HydrophobicContact CE1-CG 4.31Å
213H94.6Very high94.1Very high8 Ų826.4 Ų26.44%0.03714%0.136CC..SBendtrans-94.1-37.6-174.2-5875000111.7Y193 D211 P215 K243 F247 W388 P412 W414Y193-H213 AromaticContact CD2-CE1 3.7Å; Y193-H213 AromaticContact CE1-CE1 3.92Å; Y193-H213 AromaticContact CE2-CE1 3.46Å; Y193-H213 VanDerWaalsContact CE2-CE1 3.46Å; Y193-H213 WeakPolarHBondContact CE2-CE1 3.23Å; Y193-H213 AromaticContact CE2-ND1 3.92Å; Y193-H213 AromaticContact CZ-CE1 3.55Å; D211-H213 PolarHBondContact O-N 3.43Å; D211-H213 WeakPolarHBondContact OD2-CA 3.42Å; D211-H213 PolarHBondContact OD2-N 3.39Å; H213-P215 WeakPolarHBondContact O-CD 3.13Å; H213-K243 PolarHBondContact ND1-NZ 2.92Å; H213-F247 HydrophobicContact CB-CE1 4.29Å; H213-F247 HydrophobicContact CB-CZ 3.97Å; H213-W388 HydrophobicContact CB-CZ2 4.13Å; H213-P412 HydrophobicContact CB-CG 4.22Å; H213-W414 AromaticContact CD2-CE3 3.68Å; H213-W414 AromaticContact CE1-CE3 3.85Å; H213-W414 AromaticContact CE1-CZ3 3.89Å; H213-W414 AromaticContact NE2-CE3 3.49Å; H213-W414 AromaticContact NE2-CZ3 4Å
214L95Very high93.6Very high1 Ų128.5 Ų28.51%0.00516%0.16CC..  trans-121.554.8-175.8-58.8175.1000112.1D211 H216 L217 L218 C246 E250 W388D211-L214 PolarHBondContact OD2-N 3.02Å; L214-H216 PolarHBondContact O-N 3.18Å; L214-L217 HydrophobicContact CB-CB 4.32Å; L214-L217 HydrophobicContact CD1-CD2 4.37Å; L214-L217 PolarHBondContact O-N 2.69Å; L214-L218 HydrophobicContact CB-CB 4.24Å; L214-L218 PolarHBondContact O-N 2.89Å; L214-C246 HydrophobicContact CD1-CB 3.63Å; L214-E250 HydrophobicContact CD1-CG 4.36Å; L214-E250 HydrophobicContact CD2-CG 3.91Å; L214-W388 HydrophobicContact CD2-CH2 3.73Å; L214-W388 HydrophobicContact CD2-CZ3 4.5Å
215P95.8Very high93.3Very high32 Ų3224.6 Ų24.621%0.20814%0.141CC..THydrogen-bonded Turntrans-65.7-24.8-174.529.8-39.2000113.4L169 R188 L210 D211 H213 L217L169-P215 WeakPolarHBondContact CD2-O 3.4Å; R188-P215 VanDerWaalsContact NH2-CD 3.3Å; L210-P215 HydrophobicContact CB-CB 3.93Å; D211-P215 VanDerWaalsContact O-CA 3.3Å; D211-P215 WeakPolarHBondContact O-CA 3.38Å; D211-P215 VanDerWaalsContact O-CB 3.29Å; D211-P215 WeakPolarHBondContact O-CB 3.19Å; D211-P215 WeakPolarHBondContact O-CD 2.89Å; H213-P215 WeakPolarHBondContact O-CD 3.13Å; P215-L217 PolarHBondContact O-N 3.43Å
216H94.4Very high93.1Very high90 Ų9019.6 Ų19.642%0.41713%0.129SC..THydrogen-bonded Turntrans-74.3-16.1177.864-88.6000112.1F164 L214 E250F164-H216 VanDerWaalsContact CZ-O 3.23Å; F164-H216 WeakPolarHBondContact CZ-O 3.25Å; L214-H216 PolarHBondContact O-N 3.18Å; H216-E250 IonicContact NE2-OE2 2.92Å
217L96.3Very high92.9Very high4 Ų418.6 Ų18.62%0.02112%0.117CC..THydrogen-bonded Turntrans-121.7-36-169.6178.666.6000113.3R161 V162 F164 L214 P215 C246 E250R161-L217 HydrophobicContact CG-CD1 3.57Å; R161-L217 HydrophobicContact CG-CD2 4.42Å; R161-L217 HydrophobicContact CG-CG 3.82Å; V162-L217 PolarHBondContact N-O 3.45Å; F164-L217 HydrophobicContact CD2-CD1 3.91Å; F164-L217 HydrophobicContact CE2-CD1 3.62Å; L214-L217 HydrophobicContact CB-CB 4.32Å; L214-L217 HydrophobicContact CD1-CD2 4.37Å; L214-L217 PolarHBondContact O-N 2.69Å; P215-L217 PolarHBondContact O-N 3.43Å; L217-C246 HydrophobicContact CD2-CB 4.15Å; L217-E250 HydrophobicContact CD2-CG 4.32Å
218L97.8Very high92.4Very high0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-125.2131.1-161.3-160.973.4000112.6Y159 R161 D211 L214 K243Y159-L218 HydrophobicContact CD1-CD2 3.41Å; Y159-L218 VanDerWaalsContact CD1-CD2 3.41Å; Y159-L218 HydrophobicContact CD1-CG 3.91Å; Y159-L218 HydrophobicContact CE1-CD2 3.95Å; Y159-L218 HydrophobicContact CG-CD2 4.09Å; R161-L218 HydrophobicContact CB-CD1 3.98Å; D211-L218 HydrophobicContact CB-CB 3.87Å; D211-L218 HydrophobicContact CB-CD2 4.03Å; D211-L218 HydrophobicContact CB-CG 4.31Å; D211-L218 PolarHBondContact N-O 3.2Å; L214-L218 HydrophobicContact CB-CB 4.24Å; L214-L218 PolarHBondContact O-N 2.89Å; L218-K243 HydrophobicContact CD2-CB 3.53Å; L218-K243 HydrophobicContact CD2-CD 4.34Å; L218-K243 HydrophobicContact CD2-CG 3.71Å
219L98.4Very high91.8Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-102.4144.8172.4-67.875.6000109.7Y159 A160 V162 L169 V172 L176 F208 M209 L210 F221 L238Y159-L219 WeakPolarHBondContact CA-O 3.5Å; A160-L219 PolarHBondContact N-O 3.17Å; A160-L219 PolarHBondContact O-N 2.85Å; V162-L219 HydrophobicContact CG2-CD1 3.62Å; L169-L219 HydrophobicContact CD1-CD1 3.91Å; V172-L219 HydrophobicContact CG1-CD2 4.02Å; L176-L219 HydrophobicContact CD1-CD2 3.39Å; F208-L219 HydrophobicContact CD2-CD2 3.8Å; F208-L219 HydrophobicContact CD2-CG 4.32Å; F208-L219 HydrophobicContact CE2-CD2 3.87Å; M209-L219 CarbonylContact O-C 3.56Å; M209-L219 WeakPolarHBondContact O-CA 3.45Å; L210-L219 HydrophobicContact CD2-CG 4.11Å; L219-F221 HydrophobicContact CB-CD2 4.37Å; L219-F221 HydrophobicContact CB-CE2 3.59Å; L219-F221 HydrophobicContact CB-CZ 4.21Å; L219-F221 HydrophobicContact CD2-CE2 4.29Å; L219-F221 HydrophobicContact CD2-CZ 4.11Å; L219-L238 HydrophobicContact CD1-CD2 4.27Å
220V97.7Very high91.2Very high0 Ų029.2 Ų29.20%017%0.165CC..EExtended strand (participates in β ladder)trans-120.2123.3-178.6-164.80000109.2P157 Y159 F196 V200 F208 M209 D211P157-V220 HydrophobicContact CB-CG1 3.71Å; P157-V220 HydrophobicContact CG-CG1 4.1Å; Y159-V220 HydrophobicContact CD1-CB 4.3Å; Y159-V220 HydrophobicContact CD1-CG1 4.16Å; Y159-V220 HydrophobicContact CD1-CG2 3.8Å; Y159-V220 HydrophobicContact CE1-CB 4.1Å; Y159-V220 HydrophobicContact CE1-CG1 3.7Å; Y159-V220 HydrophobicContact CE1-CG2 3.48Å; Y159-V220 VanDerWaalsContact CE1-CG2 3.48Å; F196-V220 HydrophobicContact CZ-CG2 4.28Å; V200-V220 HydrophobicContact CG1-CG1 3.67Å; V200-V220 HydrophobicContact CG2-CG1 4.08Å; F208-V220 WeakPolarHBondContact CA-O 3.13Å; M209-V220 PolarHBondContact N-O 2.9Å; M209-V220 PolarHBondContact O-N 2.76Å; D211-V220 HydrophobicContact CB-CG2 3.86Å
221F95Very high90.9Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-115.5158-179.9-64.2-97000110.6P157 C158 A160 L176 F181 F208 L219 T225 L227P157-F221 WeakPolarHBondContact CA-O 3.47Å; P157-F221 VanDerWaalsContact CB-O 3.25Å; P157-F221 WeakPolarHBondContact CB-O 3.22Å; C158-F221 HydrophobicContact CB-CB 4.19Å; C158-F221 PolarHBondContact N-O 3.11Å; C158-F221 PolarHBondContact O-N 3.35Å; A160-F221 HydrophobicContact CB-CD2 4.41Å; A160-F221 HydrophobicContact CB-CE2 3.82Å; L176-F221 HydrophobicContact CD1-CZ 4.06Å; L176-F221 HydrophobicContact CD2-CE1 4.48Å; L176-F221 HydrophobicContact CD2-CZ 4.44Å; F181-F221 HydrophobicContact CD1-CD1 4.46Å; F181-F221 HydrophobicContact CD1-CE1 4.05Å; F181-F221 HydrophobicContact CE1-CD1 4.21Å; F181-F221 HydrophobicContact CE1-CE1 4Å; F208-F221 HydrophobicContact CB-CD1 3.67Å; F208-F221 HydrophobicContact CB-CE1 3.53Å; F208-F221 HydrophobicContact CB-CE2 4.5Å; F208-F221 HydrophobicContact CB-CG 4.23Å; F208-F221 HydrophobicContact CB-CZ 3.98Å; F208-F221 HydrophobicContact CG-CE1 4.15Å; F208-F221 HydrophobicContact CG-CZ 4.38Å; L219-F221 HydrophobicContact CB-CD2 4.37Å; L219-F221 HydrophobicContact CB-CE2 3.59Å; L219-F221 HydrophobicContact CB-CZ 4.21Å; L219-F221 HydrophobicContact CD2-CE2 4.29Å; L219-F221 HydrophobicContact CD2-CZ 4.11Å; F221-T225 HydrophobicContact CB-CG2 4.15Å; F221-T225 HydrophobicContact CD1-CG2 4.14Å; F221-T225 HydrophobicContact CG-CG2 4.37Å; F221-L227 HydrophobicContact CB-CD2 4.44Å; F221-L227 HydrophobicContact CD1-CD2 4.13Å; F221-L227 HydrophobicContact CD2-CD1 4.46Å; F221-L227 HydrophobicContact CD2-CD2 3.71Å; F221-L227 HydrophobicContact CE1-CD2 4.28Å; F221-L227 HydrophobicContact CE2-CD2 3.89Å; F221-L227 HydrophobicContact CG-CD2 3.84Å; F221-L227 HydrophobicContact CZ-CD2 4.17Å
222P90.3Very high90.8Very high16 Ų1633.8 Ų33.810%0.10419%0.187CC..  trans-50.6147.8169.9-18.522.4000111.7L203 D204 E207 G224 T225L203-P222 HydrophobicContact CB-CB 4.42Å; L203-P222 HydrophobicContact CB-CG 3.71Å; D204-P222 WeakPolarHBondContact O-CG 2.97Å; E207-P222 WeakPolarHBondContact O-CD 3.39Å; P222-G224 PolarHBondContact O-N 2.77Å; P222-T225 WeakPolarHBondContact O-CB 3.49Å; P222-T225 PolarHBondContact O-N 2.86Å; P222-T225 PolarHBondContact O-OG1 2.9Å
223S85.1Confident90.6Very high24 Ų2434.3 Ų34.317%0.16819%0.189CC..THydrogen-bonded Turntrans-54.4134.6173.41680000111.3N152 L155 L156 T225N152-S223 PolarHBondContact ND2-O 3.43Å; N152-S223 PolarHBondContact ND2-OG 2.96Å; L155-S223 WeakPolarHBondContact CB-OG 3.36Å; L156-S223 VanDerWaalsContact O-CB 3.28Å; L156-S223 WeakPolarHBondContact O-CB 3.39Å; L156-S223 PolarHBondContact O-OG 3.47Å; S223-T225 VanDerWaalsContact C-N 3.3Å
224G78.9Confident90.5Very high59 Ų5939.3 Ų39.361%0.60821%0.21SC*.THydrogen-bonded Turntrans79.610.6176.600000114.1C158 P222 A226C158-G224 PolarHBondContact SG-N 2.92Å; C158-G224 VanDerWaalsContact SG-N 3.37Å; P222-G224 PolarHBondContact O-N 2.77Å; G224-A226 PolarHBondContact O-N 3.06Å
225T83.7Confident90.4Very high30 Ų3041.6 Ų41.618%0.18423%0.226CC..  trans-59.3126.6169.1-59.20000109.1F221 P222 S223 L227F221-T225 HydrophobicContact CB-CG2 4.15Å; F221-T225 HydrophobicContact CD1-CG2 4.14Å; F221-T225 HydrophobicContact CG-CG2 4.37Å; P222-T225 WeakPolarHBondContact O-CB 3.49Å; P222-T225 PolarHBondContact O-N 2.86Å; P222-T225 PolarHBondContact O-OG1 2.9Å; S223-T225 VanDerWaalsContact C-N 3.3Å; T225-L227 HydrophobicContact CG2-CD2 3.83Å; T225-L227 HydrophobicContact CG2-CG 4.32Å; T225-L227 PolarHBondContact O-N 3.45Å
226A82.4Confident90.3Very high31 Ų3143.1 Ų43.126%0.25623%0.23SC..  trans-74.967.7179.100000111G224 Y228 D229G224-A226 PolarHBondContact O-N 3.06Å; A226-Y228 HydrophobicContact CB-CE1 3.97Å; A226-Y228 HydrophobicContact CB-CE2 4Å; A226-Y228 PolarHBondContact O-N 2.75Å; A226-Y228 VanDerWaalsContact O-N 3.08Å; A226-D229 HydrophobicContact CB-CB 4.49Å; A226-D229 WeakPolarHBondContact CB-OD2 3.35Å; A226-D229 PolarHBondContact O-N 2.86Å
227L84.5Confident90.4Very high7 Ų739.6 Ų39.64%0.03722%0.215CC..G310 helixtrans-58-25.5-177.8-67.5-179.3000112.8C158 A160 F221 T225 D229 L230 Y233 I240C158-L227 HydrophobicContact CB-CD1 3.73Å; C158-L227 HydrophobicContact CB-CG 4.19Å; A160-L227 HydrophobicContact CB-CD1 4.13Å; F221-L227 HydrophobicContact CB-CD2 4.44Å; F221-L227 HydrophobicContact CD1-CD2 4.13Å; F221-L227 HydrophobicContact CD2-CD1 4.46Å; F221-L227 HydrophobicContact CD2-CD2 3.71Å; F221-L227 HydrophobicContact CE1-CD2 4.28Å; F221-L227 HydrophobicContact CE2-CD2 3.89Å; F221-L227 HydrophobicContact CG-CD2 3.84Å; F221-L227 HydrophobicContact CZ-CD2 4.17Å; T225-L227 HydrophobicContact CG2-CD2 3.83Å; T225-L227 HydrophobicContact CG2-CG 4.32Å; T225-L227 PolarHBondContact O-N 3.45Å; L227-D229 VanDerWaalsContact C-N 3.29Å; L227-D229 PolarHBondContact O-N 3.22Å; L227-L230 HydrophobicContact CD2-CD1 3.71Å; L227-L230 WeakPolarHBondContact O-CB 2.82Å; L227-L230 PolarHBondContact O-N 3.05Å; L227-Y233 WeakPolarHBondContact O-CB 3.41Å; L227-I240 HydrophobicContact CB-CD1 3.85Å; L227-I240 HydrophobicContact CB-CG1 3.97Å; L227-I240 HydrophobicContact CD1-CG1 4.03Å
228Y84.7Confident90.4Very high135 Ų13539.6 Ų39.653%0.52922%0.215SC..G310 helixtrans-68.5-24.1178.551-96000113.9A226 L230 Y233A226-Y228 HydrophobicContact CB-CE1 3.97Å; A226-Y228 HydrophobicContact CB-CE2 4Å; A226-Y228 PolarHBondContact O-N 2.75Å; A226-Y228 VanDerWaalsContact O-N 3.08Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-Y233 VanDerWaalsContact CA-CD1 3.47Å
229D83.3Confident90.2Very high95 Ų9540.1 Ų40.151%0.50822%0.218SC..G310 helixtrans-82.4-15.3178.6-68.6-32000112.6A226 L227 K234A226-D229 HydrophobicContact CB-CB 4.49Å; A226-D229 WeakPolarHBondContact CB-OD2 3.35Å; A226-D229 PolarHBondContact O-N 2.86Å; L227-D229 VanDerWaalsContact C-N 3.29Å; L227-D229 PolarHBondContact O-N 3.22Å; D229-K234 VanDerWaalsContact O-CE 3.26Å; D229-K234 WeakPolarHBondContact O-CE 3.01Å; D229-K234 PolarHBondContact O-NZ 3.02Å
230L87.1Confident90Very high27 Ų2743.6 Ų43.614%0.14124%0.236CC..SBendtrans-67.9133.9-179.6-60.8-179.9000111.3L176 F181 L227 Y228 L232 Y233 K234L176-L230 HydrophobicContact CD2-CD1 4.46Å; F181-L230 HydrophobicContact CE2-CD2 3.61Å; F181-L230 HydrophobicContact CZ-CD2 3.61Å; L227-L230 HydrophobicContact CD2-CD1 3.71Å; L227-L230 WeakPolarHBondContact O-CB 2.82Å; L227-L230 PolarHBondContact O-N 3.05Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 3.02Å; L230-Y233 WeakPolarHBondContact O-CA 3.32Å; L230-Y233 WeakPolarHBondContact O-CB 3.3Å; L230-Y233 PolarHBondContact O-N 2.94Å; L230-K234 PolarHBondContact O-N 2.8Å
231E90.4Very high89.7Confident112 Ų11244 Ų4452%0.52324%0.238SC..Hα-helixtrans-57-32.5173.2-69-53130.300112.4Y233 K234 S235E231-Y233 VanDerWaalsContact C-N 3.31Å; E231-Y233 PolarHBondContact O-N 3.34Å; E231-K234 PolarHBondContact O-N 3.32Å; E231-K234 IonicContact OE1-NZ 3.69Å; E231-K234 PolarHBondContact OE1-NZ 2.79Å; E231-S235 VanDerWaalsContact O-CB 3.23Å; E231-S235 WeakPolarHBondContact O-CB 3.47Å; E231-S235 PolarHBondContact O-N 3.16Å; E231-S235 PolarHBondContact O-OG 3.08Å
232L95Very high89.5Confident14 Ų1445.5 Ų45.57%0.07325%0.246CC..Hα-helixtrans-64.1-33.7173.8-75.4166.7000113V172 K175 L176 L230 S235 K236 S237 L238V172-L232 HydrophobicContact CG1-CD1 4.26Å; V172-L232 HydrophobicContact CG2-CD2 4.44Å; K175-L232 HydrophobicContact CB-CD1 4.18Å; K175-L232 HydrophobicContact CB-CD2 4.06Å; K175-L232 HydrophobicContact CB-CG 4.39Å; K175-L232 HydrophobicContact CG-CD1 4.13Å; K175-L232 HydrophobicContact CG-CD2 3.83Å; K175-L232 HydrophobicContact CG-CG 3.94Å; L176-L232 HydrophobicContact CD1-CD1 4.45Å; L176-L232 HydrophobicContact CD2-CD1 3.69Å; L176-L232 HydrophobicContact CG-CD1 3.56Å; L230-L232 PolarHBondContact O-N 3.02Å; L232-S235 WeakPolarHBondContact CA-OG 3.3Å; L232-S235 PolarHBondContact O-OG 3.32Å; L232-K236 PolarHBondContact O-N 3.33Å; L232-S237 WeakPolarHBondContact O-CA 3.28Å; L232-S237 WeakPolarHBondContact O-CB 3.34Å; L232-S237 PolarHBondContact O-N 3.36Å; L232-L238 HydrophobicContact CB-CB 4.24Å; L232-L238 HydrophobicContact CB-CD1 3.81Å; L232-L238 HydrophobicContact CB-CG 4.01Å; L232-L238 HydrophobicContact CD1-CD1 3.98Å; L232-L238 PolarHBondContact O-N 2.68Å
233Y93.1Very high89.7Confident36 Ų3644.7 Ų44.714%0.14124%0.241CC..Hα-helixtrans-76.8-45.5174.7177.2-95.9000111.4L227 Y228 L230 E231 S235 K236 I240 I299L227-Y233 WeakPolarHBondContact O-CB 3.41Å; Y228-Y233 VanDerWaalsContact CA-CD1 3.47Å; L230-Y233 WeakPolarHBondContact O-CA 3.32Å; L230-Y233 WeakPolarHBondContact O-CB 3.3Å; L230-Y233 PolarHBondContact O-N 2.94Å; E231-Y233 VanDerWaalsContact C-N 3.31Å; E231-Y233 PolarHBondContact O-N 3.34Å; Y233-S235 VanDerWaalsContact C-N 3.3Å; Y233-S235 PolarHBondContact O-N 2.83Å; Y233-K236 WeakPolarHBondContact O-CA 3.48Å; Y233-K236 PolarHBondContact O-N 3.08Å; Y233-I240 HydrophobicContact CD2-CD1 3.97Å; Y233-I240 HydrophobicContact CD2-CG1 3.83Å; Y233-I240 HydrophobicContact CE2-CB 4.27Å; Y233-I240 HydrophobicContact CE2-CD1 3.54Å; Y233-I240 HydrophobicContact CE2-CG1 3.58Å; Y233-I299 HydrophobicContact CE1-CD1 4.34Å
234K91.2Very high90.1Very high112 Ų11243.6 Ų43.649%0.48723%0.233SC..Hα-helixtrans-58.3-42.8177.5-64.2177.8-165.3161.30111.7D229 L230 E231 K236D229-K234 VanDerWaalsContact O-CE 3.26Å; D229-K234 WeakPolarHBondContact O-CE 3.01Å; D229-K234 PolarHBondContact O-NZ 3.02Å; L230-K234 PolarHBondContact O-N 2.8Å; E231-K234 PolarHBondContact O-N 3.32Å; E231-K234 IonicContact OE1-NZ 3.69Å; E231-K234 PolarHBondContact OE1-NZ 2.79Å; K234-K236 PolarHBondContact O-N 2.93Å
235S93.5Very high90.7Very high50 Ų5041.5 Ų41.535%0.3521%0.209SC..THydrogen-bonded Turntrans-72.8-2.6174.561.70000114.3K166 E231 L232 Y233 S237K166-S235 WeakPolarHBondContact CE-O 3.28Å; K166-S235 PolarHBondContact NZ-O 2.73Å; E231-S235 VanDerWaalsContact O-CB 3.23Å; E231-S235 WeakPolarHBondContact O-CB 3.47Å; E231-S235 PolarHBondContact O-N 3.16Å; E231-S235 PolarHBondContact O-OG 3.08Å; L232-S235 WeakPolarHBondContact CA-OG 3.3Å; L232-S235 PolarHBondContact O-OG 3.32Å; Y233-S235 VanDerWaalsContact C-N 3.3Å; Y233-S235 PolarHBondContact O-N 2.83Å; S235-S237 PolarHBondContact O-N 3.41Å; S235-S237 PolarHBondContact OG-OG 3.08Å
236K94.1Very high91.3Very high63 Ų6340 Ų4027%0.27420%0.2SC..THydrogen-bonded Turntrans63.716.9-177-47.6-63.3-176.3178.40114.7N163 K166 L232 Y233 K234 L297N163-K236 WeakPolarHBondContact CB-O 3.2Å; N163-K236 PolarHBondContact ND2-O 3.32Å; K166-K236 HydrophobicContact CD-CB 4Å; L232-K236 PolarHBondContact O-N 3.33Å; Y233-K236 WeakPolarHBondContact O-CA 3.48Å; Y233-K236 PolarHBondContact O-N 3.08Å; K234-K236 PolarHBondContact O-N 2.93Å; K236-L297 HydrophobicContact CD-CD2 4.05Å
237S95.6Very high91.8Very high17 Ų1738.6 Ų38.612%0.11919%0.188CC..SBendtrans-72.5-32.1172.9-65.60000111.8N163 L232 S235N163-S237 WeakPolarHBondContact CB-O 3.05Å; N163-S237 PolarHBondContact N-O 2.91Å; L232-S237 WeakPolarHBondContact O-CA 3.28Å; L232-S237 WeakPolarHBondContact O-CB 3.34Å; L232-S237 PolarHBondContact O-N 3.36Å; S235-S237 PolarHBondContact O-N 3.41Å; S235-S237 PolarHBondContact OG-OG 3.08Å
238L96.3Very high92.3Very high3 Ų338.3 Ų38.32%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-113.8142.1168.8-78.1178.9000110.8A160 V162 V172 L219 L232A160-L238 HydrophobicContact CB-CB 4.37Å; A160-L238 HydrophobicContact CB-CD1 4.19Å; A160-L238 HydrophobicContact CB-CD2 3.97Å; A160-L238 HydrophobicContact CB-CG 4.42Å; V162-L238 HydrophobicContact CG2-CD2 4.28Å; V172-L238 HydrophobicContact CG1-CD1 4.13Å; V172-L238 HydrophobicContact CG1-CD2 3.8Å; V172-L238 HydrophobicContact CG1-CG 4.02Å; L219-L238 HydrophobicContact CD1-CD2 4.27Å; L232-L238 HydrophobicContact CB-CB 4.24Å; L232-L238 HydrophobicContact CB-CD1 3.81Å; L232-L238 HydrophobicContact CB-CG 4.01Å; L232-L238 HydrophobicContact CD1-CD1 3.98Å; L232-L238 PolarHBondContact O-N 2.68Å
239L95Very high92.8Very high12 Ų1231.9 Ų31.96%0.06316%0.161CC..EExtended strand (participates in β ladder)trans-122.3131.8178.8-58.6166.5000109.3A160 R161 N163 Q241 L272A160-L239 CarbonylContact C-O 3.58Å; A160-L239 WeakPolarHBondContact CA-O 3.3Å; R161-L239 PolarHBondContact N-O 3.32Å; R161-L239 PolarHBondContact O-N 3.1Å; N163-L239 HydrophobicContact CB-CD1 3.82Å; N163-L239 HydrophobicContact CB-CG 4.04Å; L239-Q241 PolarHBondContact O-N 3.21Å; L239-L272 HydrophobicContact CD1-CD2 3.45Å; L239-L272 VanDerWaalsContact CD1-CD2 3.45Å; L239-L272 HydrophobicContact CD1-CG 4.33Å; L239-L272 HydrophobicContact CD2-CD2 4.21Å; L239-L272 HydrophobicContact CG-CD2 4.48Å
240I92.6Very high93.3Very high73 Ų7328.9 Ų28.937%0.37414%0.144SC..EExtended strand (participates in β ladder)trans-75.8115.1175-62168.8000108L227 Y233L227-I240 HydrophobicContact CB-CD1 3.85Å; L227-I240 HydrophobicContact CB-CG1 3.97Å; L227-I240 HydrophobicContact CD1-CG1 4.03Å; Y233-I240 HydrophobicContact CD2-CD1 3.97Å; Y233-I240 HydrophobicContact CD2-CG1 3.83Å; Y233-I240 HydrophobicContact CE2-CB 4.27Å; Y233-I240 HydrophobicContact CE2-CD1 3.54Å; Y233-I240 HydrophobicContact CE2-CG1 3.58Å
241Q92.5Very high93.7Very high7 Ų728 Ų283%0.03314%0.14CC..  trans-149132.5-179.9-178.5170-14.400110.3Y159 R161 L239 S245 N269Y159-Q241 WeakPolarHBondContact CB-O 3.4Å; Y159-Q241 PolarHBondContact O-N 2.78Å; R161-Q241 HydrophobicContact CB-CB 4.3Å; L239-Q241 PolarHBondContact O-N 3.21Å; Q241-S245 PolarHBondContact NE2-O 3.42Å; Q241-N269 HydrophobicContact CG-CB 4.43Å
242D91.1Very high93.9Very high32 Ų3222.7 Ų22.717%0.17112%0.115CC..  trans-62137.1174.2-176.7-81.9000110.7A244 S245 C246 N438D242-A244 VanDerWaalsContact C-N 3.28Å; D242-A244 PolarHBondContact O-N 3.34Å; D242-A244 WeakPolarHBondContact OD1-CA 3.06Å; D242-A244 WeakPolarHBondContact OD1-CB 3.46Å; D242-A244 PolarHBondContact OD1-N 3.49Å; D242-S245 WeakPolarHBondContact O-CB 3.46Å; D242-S245 PolarHBondContact O-N 3.05Å; D242-S245 VanDerWaalsContact O-N 3.09Å; D242-C246 PolarHBondContact O-N 3.12Å; D242-N438 PolarHBondContact OD2-N 3.14Å; D242-N438 PolarHBondContact OD2-ND2 3.21Å
243K94.6Very high93.6Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-52.5-43.7179.6173.7179.2174.5173.40113.3Y159 Y193 D211 H213 L218 S245 C246 F247 T437Y159-K243 HydrophobicContact CD1-CB 4.05Å; Y159-K243 HydrophobicContact CD2-CB 4.09Å; Y159-K243 HydrophobicContact CE1-CB 3.87Å; Y159-K243 HydrophobicContact CE1-CD 3.94Å; Y159-K243 HydrophobicContact CE1-CG 4.44Å; Y159-K243 HydrophobicContact CE2-CB 3.93Å; Y159-K243 HydrophobicContact CG-CB 4.14Å; Y193-K243 PolarHBondContact OH-NZ 3.05Å; Y193-K243 VanDerWaalsContact OH-NZ 3.1Å; D211-K243 WeakPolarHBondContact OD1-CD 3.45Å; D211-K243 VanDerWaalsContact OD1-CE 3.22Å; D211-K243 WeakPolarHBondContact OD1-CE 3.28Å; D211-K243 IonicContact OD1-NZ 3.94Å; D211-K243 PolarHBondContact OD1-NZ 3.38Å; D211-K243 WeakPolarHBondContact OD2-CE 3.38Å; D211-K243 IonicContact OD2-NZ 3.69Å; D211-K243 PolarHBondContact OD2-NZ 3.38Å; H213-K243 PolarHBondContact ND1-NZ 2.92Å; L218-K243 HydrophobicContact CD2-CB 3.53Å; L218-K243 HydrophobicContact CD2-CD 4.34Å; L218-K243 HydrophobicContact CD2-CG 3.71Å; K243-S245 VanDerWaalsContact C-N 3.25Å; K243-S245 PolarHBondContact O-N 3.25Å; K243-C246 WeakPolarHBondContact O-CB 3.36Å; K243-C246 PolarHBondContact O-N 3.26Å; K243-C246 VanDerWaalsContact O-N 3.08Å; K243-F247 HydrophobicContact CG-CE2 4.32Å; K243-T437 HydrophobicContact CB-CG2 3.91Å; K243-T437 HydrophobicContact CD-CG2 4.03Å; K243-T437 HydrophobicContact CG-CG2 4.16Å
244A92.6Very high93.5Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-63.7-37.3-177.400000111.3D242 C246 F247 S431 T437 F440D242-A244 VanDerWaalsContact C-N 3.28Å; D242-A244 PolarHBondContact O-N 3.34Å; D242-A244 WeakPolarHBondContact OD1-CA 3.06Å; D242-A244 WeakPolarHBondContact OD1-CB 3.46Å; D242-A244 PolarHBondContact OD1-N 3.49Å; A244-C246 PolarHBondContact O-N 3.14Å; A244-F247 WeakPolarHBondContact O-CB 3.36Å; A244-F247 PolarHBondContact O-N 3.48Å; A244-F247 VanDerWaalsContact O-N 3.16Å; A244-S431 VanDerWaalsContact CB-OG 3.25Å; A244-S431 WeakPolarHBondContact CB-OG 3.47Å; A244-T437 HydrophobicContact CB-CG2 4.11Å; A244-F440 HydrophobicContact CB-CB 3.46Å; A244-F440 VanDerWaalsContact CB-CB 3.46Å; A244-F440 HydrophobicContact CB-CD1 3.83Å; A244-F440 HydrophobicContact CB-CD2 4.31Å; A244-F440 HydrophobicContact CB-CG 3.63Å; A244-F440 WeakPolarHBondContact O-CD1 3.44Å; A244-F440 VanDerWaalsContact O-CE1 3.29Å; A244-F440 WeakPolarHBondContact O-CE1 3.45Å
245S92.5Very high93.4Very high15 Ų1525.5 Ų25.511%0.10513%0.134CC..Hα-helixtrans-65.6-20.3175.8-80.60000114Q241 D242 K243 F247 K270 F440Q241-S245 PolarHBondContact NE2-O 3.42Å; D242-S245 WeakPolarHBondContact O-CB 3.46Å; D242-S245 PolarHBondContact O-N 3.05Å; D242-S245 VanDerWaalsContact O-N 3.09Å; K243-S245 VanDerWaalsContact C-N 3.25Å; K243-S245 PolarHBondContact O-N 3.25Å; S245-F247 VanDerWaalsContact C-N 3.35Å; S245-K270 WeakPolarHBondContact O-CE 3.34Å; S245-K270 PolarHBondContact OG-NZ 2.96Å; S245-K270 VanDerWaalsContact OG-NZ 3.12Å; S245-F440 WeakPolarHBondContact OG-CE2 3.37Å
246C95.1Very high93.3Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-73.9-26.1175.2-60.80000112.5L214 L217 D242 K243 A244 G248 P249 E250 Q273L214-C246 HydrophobicContact CD1-CB 3.63Å; L217-C246 HydrophobicContact CD2-CB 4.15Å; D242-C246 PolarHBondContact O-N 3.12Å; K243-C246 WeakPolarHBondContact O-CB 3.36Å; K243-C246 PolarHBondContact O-N 3.26Å; K243-C246 VanDerWaalsContact O-N 3.08Å; A244-C246 PolarHBondContact O-N 3.14Å; C246-G248 VanDerWaalsContact C-N 3.32Å; C246-G248 PolarHBondContact O-N 2.82Å; C246-P249 WeakPolarHBondContact O-CD 3.37Å; C246-E250 VanDerWaalsContact O-CG 3.3Å; C246-E250 WeakPolarHBondContact O-CG 3.47Å; C246-E250 PolarHBondContact O-N 2.78Å; C246-Q273 PolarHBondContact O-NE2 3.32Å
247F94.2Very high93.1Very high1 Ų127.1 Ų27.10%0.00415%0.145CC..Hα-helixtrans-66.5-30.4-177-77.8-71000113.3H213 K243 A244 S245 E250 I251 W388 W414 I442H213-F247 HydrophobicContact CB-CE1 4.29Å; H213-F247 HydrophobicContact CB-CZ 3.97Å; K243-F247 HydrophobicContact CG-CE2 4.32Å; A244-F247 WeakPolarHBondContact O-CB 3.36Å; A244-F247 PolarHBondContact O-N 3.48Å; A244-F247 VanDerWaalsContact O-N 3.16Å; S245-F247 VanDerWaalsContact C-N 3.35Å; F247-E250 PolarHBondContact O-N 3.44Å; F247-I251 HydrophobicContact CB-CD1 3.89Å; F247-I251 VanDerWaalsContact O-CB 3.22Å; F247-I251 WeakPolarHBondContact O-CB 3.25Å; F247-I251 WeakPolarHBondContact O-CD1 3.48Å; F247-I251 WeakPolarHBondContact O-CG1 3.35Å; F247-I251 PolarHBondContact O-N 2.69Å; F247-W388 HydrophobicContact CD1-CD2 4.23Å; F247-W388 AromaticContact CD1-CE3 3.7Å; F247-W388 HydrophobicContact CD1-CE3 3.7Å; F247-W388 AromaticContact CD1-CH2 3.93Å; F247-W388 HydrophobicContact CD1-CH2 3.93Å; F247-W388 HydrophobicContact CD1-CZ2 4.42Å; F247-W388 AromaticContact CD1-CZ3 3.53Å; F247-W388 HydrophobicContact CD1-CZ3 3.53Å; F247-W388 AromaticContact CE1-CD2 3.9Å; F247-W388 HydrophobicContact CE1-CD2 3.9Å; F247-W388 AromaticContact CE1-CE2 3.8Å; F247-W388 AromaticContact CE1-CE3 3.79Å; F247-W388 HydrophobicContact CE1-CE3 3.79Å; F247-W388 AromaticContact CE1-CH2 3.57Å; F247-W388 HydrophobicContact CE1-CH2 3.57Å; F247-W388 AromaticContact CE1-CZ2 3.66Å; F247-W388 HydrophobicContact CE1-CZ2 3.66Å; F247-W388 AromaticContact CE1-CZ3 3.63Å; F247-W388 HydrophobicContact CE1-CZ3 3.63Å; F247-W414 AromaticContact CE2-CE3 3.96Å; F247-W414 HydrophobicContact CE2-CE3 3.96Å; F247-W414 AromaticContact CE2-CH2 3.91Å; F247-W414 HydrophobicContact CE2-CH2 3.91Å; F247-W414 AromaticContact CE2-CZ3 3.49Å; F247-W414 HydrophobicContact CE2-CZ3 3.49Å; F247-W414 VanDerWaalsContact CE2-CZ3 3.49Å; F247-W414 AromaticContact CZ-CE3 3.6Å; F247-W414 HydrophobicContact CZ-CE3 3.6Å; F247-W414 HydrophobicContact CZ-CH2 4.37Å; F247-W414 AromaticContact CZ-CZ3 3.51Å; F247-W414 HydrophobicContact CZ-CZ3 3.51Å; F247-I442 HydrophobicContact CB-CD1 3.24Å; F247-I442 HydrophobicContact CG-CD1 4.26Å
248G94.2Very high92.9Very high0 Ų026.3 Ų26.30%014%0.14CC..Hα-helixtrans-54.6-59.1-179.300000112.5C246 I251 L252C246-G248 VanDerWaalsContact C-N 3.32Å; C246-G248 PolarHBondContact O-N 2.82Å; G248-I251 PolarHBondContact O-N 2.99Å; G248-L252 PolarHBondContact O-N 3.32Å
249P94.6Very high92.7Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-60-41.2173.3-27.136.5000114.3C246 I251 L252 Q253 K270 Q273 L274 M277C246-P249 WeakPolarHBondContact O-CD 3.37Å; P249-I251 VanDerWaalsContact C-N 3.27Å; P249-I251 PolarHBondContact O-N 3.01Å; P249-L252 PolarHBondContact O-N 3.42Å; P249-Q253 PolarHBondContact O-N 3.03Å; P249-K270 HydrophobicContact CG-CB 4.07Å; P249-K270 HydrophobicContact CG-CG 4.38Å; P249-Q273 HydrophobicContact CB-CB 4.17Å; P249-Q273 HydrophobicContact CB-CG 3.83Å; P249-Q273 HydrophobicContact CG-CB 4.04Å; P249-Q273 HydrophobicContact CG-CG 4.12Å; P249-L274 HydrophobicContact CB-CD2 3.8Å; P249-L274 HydrophobicContact CB-CG 4Å; P249-L274 HydrophobicContact CG-CD2 4.32Å; P249-L274 HydrophobicContact CG-CG 4.1Å; P249-M277 HydrophobicContact CB-SD 4.09Å
250E93.8Very high92.6Very high32 Ų3226.8 Ų26.815%0.1514%0.142CC..Hα-helixtrans-64.2-29.2178.9-66.9-56.3133.200113.5L214 H216 L217 C246 F247 Q253 Q273L214-E250 HydrophobicContact CD1-CG 4.36Å; L214-E250 HydrophobicContact CD2-CG 3.91Å; H216-E250 IonicContact NE2-OE2 2.92Å; L217-E250 HydrophobicContact CD2-CG 4.32Å; C246-E250 VanDerWaalsContact O-CG 3.3Å; C246-E250 WeakPolarHBondContact O-CG 3.47Å; C246-E250 PolarHBondContact O-N 2.78Å; F247-E250 PolarHBondContact O-N 3.44Å; E250-Q253 WeakPolarHBondContact O-CG 3.46Å; E250-Q273 PolarHBondContact OE1-NE2 3.03Å
251I95.1Very high92.6Very high10 Ų1024.6 Ų24.65%0.05113%0.131CC..Hα-helixtrans-84.8-35.7176.9-72.9164.5000110.8F247 G248 P249 Q253 R354 V356 I387 W388 I429 I442 L444F247-I251 HydrophobicContact CB-CD1 3.89Å; F247-I251 VanDerWaalsContact O-CB 3.22Å; F247-I251 WeakPolarHBondContact O-CB 3.25Å; F247-I251 WeakPolarHBondContact O-CD1 3.48Å; F247-I251 WeakPolarHBondContact O-CG1 3.35Å; F247-I251 PolarHBondContact O-N 2.69Å; G248-I251 PolarHBondContact O-N 2.99Å; P249-I251 VanDerWaalsContact C-N 3.27Å; P249-I251 PolarHBondContact O-N 3.01Å; I251-Q253 PolarHBondContact O-N 3.35Å; I251-R354 PolarHBondContact O-NH2 2.7Å; I251-R354 VanDerWaalsContact O-NH2 3.09Å; I251-V356 HydrophobicContact CG2-CG2 4.09Å; I251-I387 HydrophobicContact CD1-CB 4.35Å; I251-I387 HydrophobicContact CD1-CD1 3.79Å; I251-I387 HydrophobicContact CG2-CB 4.09Å; I251-I387 HydrophobicContact CG2-CG2 3.46Å; I251-I387 VanDerWaalsContact CG2-CG2 3.46Å; I251-W388 HydrophobicContact CG1-CE3 4.18Å; I251-I429 HydrophobicContact CD1-CD1 3.84Å; I251-I442 HydrophobicContact CD1-CB 4.44Å; I251-I442 HydrophobicContact CD1-CD1 4.03Å; I251-I442 HydrophobicContact CD1-CG2 3.87Å; I251-L444 HydrophobicContact CG2-CB 4.01Å; I251-L444 HydrophobicContact CG2-CD2 4Å; I251-L444 HydrophobicContact CG2-CG 4.44Å
252L94.7Very high92.5Very high0 Ų024.3 Ų24.30%013%0.13CC..Hα-helixtrans-58-43.5177.3-173.272.2000110.3G248 P249 P254 V260 L274 R354 V356 V502G248-L252 PolarHBondContact O-N 3.32Å; P249-L252 PolarHBondContact O-N 3.42Å; L252-P254 HydrophobicContact CD2-CB 4.2Å; L252-P254 HydrophobicContact CD2-CG 4.31Å; L252-V260 HydrophobicContact CD2-CG1 4.34Å; L252-L274 HydrophobicContact CD2-CD2 3.57Å; L252-R354 HydrophobicContact CD1-CB 4.2Å; L252-R354 PolarHBondContact O-NE 2.8Å; L252-R354 PolarHBondContact O-NH2 3.39Å; L252-V356 HydrophobicContact CB-CG2 3.75Å; L252-V356 HydrophobicContact CD1-CB 4.07Å; L252-V356 HydrophobicContact CD1-CG2 3.6Å; L252-V356 HydrophobicContact CG-CG2 4.31Å; L252-V502 HydrophobicContact CD1-CG2 4.34Å; L252-V502 HydrophobicContact CD2-CG2 3.49Å; L252-V502 VanDerWaalsContact CD2-CG2 3.49Å; L252-V502 HydrophobicContact CG-CG2 4.33Å
253Q88.3Confident92.4Very high128 Ų12823.6 Ų23.660%0.59813%0.128SC*.  trans43.461-176.6-59.7-172.6-26.100111.4P249 E250 I251P249-Q253 PolarHBondContact O-N 3.03Å; E250-Q253 WeakPolarHBondContact O-CG 3.46Å; I251-Q253 PolarHBondContact O-N 3.35Å
254P91.3Very high91.9Very high8 Ų824.6 Ų24.65%0.05214%0.135CC..  trans-61143.3-178.328.7-34.8000109.9L252 V260 L274 M277 L278L252-P254 HydrophobicContact CD2-CB 4.2Å; L252-P254 HydrophobicContact CD2-CG 4.31Å; P254-V260 HydrophobicContact CB-CG2 3.76Å; P254-V260 HydrophobicContact CG-CG2 4.42Å; P254-L274 HydrophobicContact CG-CD2 4.22Å; P254-M277 HydrophobicContact CG-CB 4.19Å; P254-M277 HydrophobicContact CG-SD 4.47Å; P254-L278 HydrophobicContact CB-CD2 3.97Å; P254-L278 HydrophobicContact CG-CD2 4.06Å
255D90.7Very high91.4Very high84 Ų8425 Ų2545%0.44914%0.138SC..  trans-57.8131.6166.2-177.9-58.6000107.7N257 S258D255-N257 PolarHBondContact O-N 3Å; D255-N257 PolarHBondContact OD1-N 2.7Å; D255-S258 PolarHBondContact N-OG 3.29Å; D255-S258 WeakPolarHBondContact O-CB 3.37Å; D255-S258 PolarHBondContact O-N 3.39Å; D255-S258 PolarHBondContact O-OG 2.57Å
256P90.2Very high90.6Very high66 Ų6625.1 Ų25.143%0.42914%0.14SC..THydrogen-bonded Turntrans-53.8-25.8-178.8-2935.6000114.6S279P256-S279 WeakPolarHBondContact O-CA 3.4Å; P256-S279 WeakPolarHBondContact O-CB 3.31Å; P256-S279 PolarHBondContact O-N 3.3Å; P256-S279 PolarHBondContact O-OG 3.09Å
257N90.6Very high89.8Confident82 Ų8229.3 Ų29.344%0.43917%0.168SC..THydrogen-bonded Turntrans-102.85.3178.7-56.1-55.3000113.3D255 S279D255-N257 PolarHBondContact O-N 3Å; D255-N257 PolarHBondContact OD1-N 2.7Å; N257-S279 WeakPolarHBondContact OD1-CB 3.35Å; N257-S279 PolarHBondContact OD1-OG 2.81Å
258S90.8Very high89.4Confident0 Ų030.3 Ų30.30%018%0.178CC..SBendtrans-78.2155.4173.759.50000112.1D255 S282 T498D255-S258 PolarHBondContact N-OG 3.29Å; D255-S258 WeakPolarHBondContact O-CB 3.37Å; D255-S258 PolarHBondContact O-N 3.39Å; D255-S258 PolarHBondContact O-OG 2.57Å; S258-S282 WeakPolarHBondContact O-CB 3.43Å; S258-T498 CarbonylContact C-O 3.52Å; S258-T498 WeakPolarHBondContact CA-O 3.36Å; S258-T498 WeakPolarHBondContact CB-O 3.41Å; S258-T498 WeakPolarHBondContact CB-OG1 3.22Å
259D91.8Very high89.2Confident23 Ų2333 Ų3312%0.12319%0.192CC..EExtended strand (participates in β ladder)trans-81.7145.6167.5-67.4-38.1000109.5T283 F285 T497 T498 A499 S500D259-T283 CarbonylContact C-O 3.51Å; D259-T283 VanDerWaalsContact CA-O 3.24Å; D259-T283 WeakPolarHBondContact CA-O 3.26Å; D259-T283 WeakPolarHBondContact OD1-CA 3.45Å; D259-T283 WeakPolarHBondContact OD1-CB 3.28Å; D259-T283 PolarHBondContact OD1-N 3.06Å; D259-T283 PolarHBondContact OD1-OG1 2.78Å; D259-F285 HydrophobicContact CB-CE2 4.22Å; D259-T497 VanDerWaalsContact OD2-CB 3.25Å; D259-T497 WeakPolarHBondContact OD2-CB 3.29Å; D259-T497 PolarHBondContact OD2-OG1 2.71Å; D259-T497 VanDerWaalsContact OD2-OG1 3.04Å; D259-T498 PolarHBondContact N-O 3.07Å; D259-A499 CarbonylContact O-C 3.6Å; D259-A499 VanDerWaalsContact O-CA 3.27Å; D259-A499 WeakPolarHBondContact O-CA 3.18Å; D259-S500 PolarHBondContact O-N 3.21Å
260V93.2Very high89.1Confident1 Ų133.5 Ų33.51%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-125.3138179.5175.20000111L252 P254 L274 L278 T283 I284 F285 S500L252-V260 HydrophobicContact CD2-CG1 4.34Å; P254-V260 HydrophobicContact CB-CG2 3.76Å; P254-V260 HydrophobicContact CG-CG2 4.42Å; V260-L274 HydrophobicContact CG1-CD1 4.01Å; V260-L274 HydrophobicContact CG1-CD2 4.46Å; V260-L278 HydrophobicContact CB-CD1 4.1Å; V260-L278 HydrophobicContact CG2-CD1 3.83Å; V260-L278 HydrophobicContact CG2-CD2 3.88Å; V260-L278 HydrophobicContact CG2-CG 4.37Å; V260-T283 PolarHBondContact N-O 2.88Å; V260-I284 HydrophobicContact CB-CG1 4.17Å; V260-I284 HydrophobicContact CG1-CD1 4.29Å; V260-I284 HydrophobicContact CG1-CG1 4.25Å; V260-I284 CarbonylContact O-C 3.56Å; V260-I284 VanDerWaalsContact O-CA 3.3Å; V260-I284 WeakPolarHBondContact O-CA 3.49Å; V260-F285 PolarHBondContact O-N 2.88Å; V260-S500 CarbonylContact C-O 3.57Å; V260-S500 WeakPolarHBondContact CA-O 3.3Å
261L92.6Very high89Confident28 Ų2832.3 Ų32.315%0.14719%0.19CC..EExtended strand (participates in β ladder)trans-113.2120.6170.2170.565.6000109.5F285 V287 F349 S500 I501 V502L261-F285 WeakPolarHBondContact CA-O 3.24Å; L261-F285 HydrophobicContact CB-CB 4.36Å; L261-F285 HydrophobicContact CD1-CB 3.61Å; L261-V287 HydrophobicContact CD1-CG2 3.75Å; L261-F349 HydrophobicContact CD2-CE2 3.8Å; L261-F349 HydrophobicContact CD2-CZ 4.22Å; L261-S500 PolarHBondContact N-O 2.88Å; L261-I501 HydrophobicContact CB-CB 4.5Å; L261-I501 HydrophobicContact CB-CG1 4.1Å; L261-I501 HydrophobicContact CB-CG2 4.17Å; L261-I501 HydrophobicContact CD2-CD1 4.21Å; L261-I501 HydrophobicContact CD2-CG1 4.42Å; L261-I501 HydrophobicContact CD2-CG2 4.05Å; L261-I501 HydrophobicContact CG-CG2 4.16Å; L261-I501 CarbonylContact O-C 3.57Å; L261-I501 WeakPolarHBondContact O-CA 3.45Å; L261-V502 PolarHBondContact O-N 3.37Å
262D91.3Very high88.9Confident1 Ų132.8 Ų32.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-98.8104.3164.5-168.3-10.1000108.2C264 A265 T271 F285 V287D262-C264 VanDerWaalsContact C-N 3.34Å; D262-A265 HydrophobicContact CB-CB 4.31Å; D262-T271 PolarHBondContact OD2-N 2.86Å; D262-T271 PolarHBondContact OD2-OG1 3.34Å; D262-F285 PolarHBondContact N-O 2.84Å; D262-V287 PolarHBondContact O-N 2.83Å
263A87.8Confident88.9Confident17 Ų1732.8 Ų32.814%0.1419%0.192CC..SBendtrans-78.3-17.6-169.900000114V287 V502 V503A263-V287 CarbonylContact C-O 3.58Å; A263-V287 VanDerWaalsContact C-O 3.25Å; A263-V502 PolarHBondContact N-O 3.34Å; A263-V503 HydrophobicContact CB-CG2 4.15Å
264C83.9Confident89.1Confident21 Ų2126.7 Ų26.714%0.14216%0.164CC..SBendtrans-14573-179.2-62.30000109D262 V287 N504D262-C264 VanDerWaalsContact C-N 3.34Å; C264-V287 WeakPolarHBondContact CA-O 3.4Å; C264-V287 PolarHBondContact N-O 3.32Å; C264-N504 HydrophobicContact CB-CB 4.28Å; C264-N504 WeakPolarHBondContact CB-O 3.24Å; C264-N504 PolarHBondContact SG-O 3.34Å
265A82.1Confident89.2Confident7 Ų727 Ų276%0.05817%0.165CC..  trans-77.9-30.7-162.300000114.7D262 G268 V286 V287 D288D262-A265 HydrophobicContact CB-CB 4.31Å; A265-G268 WeakPolarHBondContact O-CA 3.22Å; A265-G268 PolarHBondContact O-N 3Å; A265-V286 HydrophobicContact CB-CB 4.45Å; A265-V286 HydrophobicContact CB-CG1 3.19Å; A265-V287 PolarHBondContact N-O 2.83Å; A265-D288 PolarHBondContact N-OD2 3.48Å; A265-D288 VanDerWaalsContact N-OD2 3.14Å
266A75.2Confident89.2Confident19 Ų1924.7 Ų24.716%0.15716%0.155CC..THydrogen-bonded Turntrans-61.7136.3-170.600000112.1D288A266-D288 HydrophobicContact CB-CB 4.26Å; A266-D288 WeakPolarHBondContact CB-OD2 3.32Å; A266-D288 PolarHBondContact N-OD2 3.34Å
267P79.6Confident89.3Confident88 Ų8824 Ų2457%0.57115%0.147SC*.THydrogen-bonded Turncis-87.812.44.536.5-38.2000115.4
268G85.9Confident89.4Confident22 Ų2220.4 Ų20.423%0.22713%0.128CC..  trans101.20.9171.900000115.9A265 K270 T271 L272A265-G268 WeakPolarHBondContact O-CA 3.22Å; A265-G268 PolarHBondContact O-N 3Å; G268-K270 PolarHBondContact O-N 3.15Å; G268-T271 WeakPolarHBondContact O-CB 3.49Å; G268-T271 PolarHBondContact O-N 3.11Å; G268-L272 WeakPolarHBondContact O-CB 3.27Å; G268-L272 PolarHBondContact O-N 3.05Å
269N89.4Confident89.3Confident55 Ų5521.9 Ų21.929%0.29414%0.138SC..Hα-helixtrans-63.2-39.8-175.2-80.3-27.9000113.8R161 Q241 Q273R161-N269 PolarHBondContact NH2-O 3.26Å; Q241-N269 HydrophobicContact CG-CB 4.43Å; N269-Q273 PolarHBondContact O-N 3.21Å
270K92.7Very high89Confident12 Ų1225.6 Ų25.65%0.05216%0.158CC..Hα-helixtrans-73.1-42.5176.6-66.3-176-179.5710110.8S245 P249 G268 L272 Q273 L274 N504S245-K270 WeakPolarHBondContact O-CE 3.34Å; S245-K270 PolarHBondContact OG-NZ 2.96Å; S245-K270 VanDerWaalsContact OG-NZ 3.12Å; P249-K270 HydrophobicContact CG-CB 4.07Å; P249-K270 HydrophobicContact CG-CG 4.38Å; G268-K270 PolarHBondContact O-N 3.15Å; K270-L272 VanDerWaalsContact C-N 3.29Å; K270-L272 PolarHBondContact O-N 2.96Å; K270-Q273 WeakPolarHBondContact O-CB 3.25Å; K270-Q273 PolarHBondContact O-N 3.41Å; K270-Q273 VanDerWaalsContact O-N 3.07Å; K270-L274 WeakPolarHBondContact O-CG 3.25Å; K270-L274 PolarHBondContact O-N 3.02Å; K270-N504 PolarHBondContact NZ-ND2 3.49Å; K270-N504 VanDerWaalsContact NZ-ND2 3.18Å
271T91.8Very high88.7Confident7 Ų734 Ų344%0.04319%0.194CC..Hα-helixtrans-52-48.4172.6-370000111.1D262 G268 Q273 L274 I275 I284 V286D262-T271 PolarHBondContact OD2-N 2.86Å; D262-T271 PolarHBondContact OD2-OG1 3.34Å; G268-T271 WeakPolarHBondContact O-CB 3.49Å; G268-T271 PolarHBondContact O-N 3.11Å; T271-Q273 VanDerWaalsContact C-N 3.31Å; T271-Q273 PolarHBondContact O-N 3.05Å; T271-L274 WeakPolarHBondContact O-CB 3.48Å; T271-L274 PolarHBondContact O-N 3.08Å; T271-I275 HydrophobicContact CG2-CD1 4.28Å; T271-I275 VanDerWaalsContact O-CG1 3.29Å; T271-I275 WeakPolarHBondContact O-CG1 3.46Å; T271-I275 PolarHBondContact O-N 3.17Å; T271-I284 HydrophobicContact CG2-CD1 3.74Å; T271-V286 HydrophobicContact CG2-CB 4.46Å; T271-V286 HydrophobicContact CG2-CG1 4.1Å; T271-V286 HydrophobicContact CG2-CG2 3.5Å; T271-V286 VanDerWaalsContact CG2-CG2 3.5Å
272L92.5Very high88.5Confident20 Ų2032.9 Ų32.911%0.10519%0.189CC..Hα-helixtrans-65.7-33179.6-167.862.9000112.9L165 L239 G268 K270 S276L165-L272 HydrophobicContact CD1-CD1 3.4Å; L165-L272 VanDerWaalsContact CD1-CD1 3.4Å; L165-L272 HydrophobicContact CD1-CG 4.22Å; L239-L272 HydrophobicContact CD1-CD2 3.45Å; L239-L272 VanDerWaalsContact CD1-CD2 3.45Å; L239-L272 HydrophobicContact CD1-CG 4.33Å; L239-L272 HydrophobicContact CD2-CD2 4.21Å; L239-L272 HydrophobicContact CG-CD2 4.48Å; G268-L272 WeakPolarHBondContact O-CB 3.27Å; G268-L272 PolarHBondContact O-N 3.05Å; K270-L272 VanDerWaalsContact C-N 3.29Å; K270-L272 PolarHBondContact O-N 2.96Å; L272-S276 PolarHBondContact O-N 2.73Å
273Q94.2Very high88.4Confident0 Ų033.3 Ų33.30%019%0.191CC..Hα-helixtrans-67.1-45.8172.4-169.8177-15.900110.8C246 P249 E250 N269 K270 T271 I275 S276 M277C246-Q273 PolarHBondContact O-NE2 3.32Å; P249-Q273 HydrophobicContact CB-CB 4.17Å; P249-Q273 HydrophobicContact CB-CG 3.83Å; P249-Q273 HydrophobicContact CG-CB 4.04Å; P249-Q273 HydrophobicContact CG-CG 4.12Å; E250-Q273 PolarHBondContact OE1-NE2 3.03Å; N269-Q273 PolarHBondContact O-N 3.21Å; K270-Q273 WeakPolarHBondContact O-CB 3.25Å; K270-Q273 PolarHBondContact O-N 3.41Å; K270-Q273 VanDerWaalsContact O-N 3.07Å; T271-Q273 VanDerWaalsContact C-N 3.31Å; T271-Q273 PolarHBondContact O-N 3.05Å; Q273-I275 PolarHBondContact O-N 2.98Å; Q273-S276 WeakPolarHBondContact O-CB 2.92Å; Q273-S276 PolarHBondContact O-N 3.24Å; Q273-S276 VanDerWaalsContact O-N 3.1Å; Q273-S276 PolarHBondContact O-OG 2.99Å; Q273-M277 PolarHBondContact O-N 3.34Å
274L92.9Very high88.5Confident0 Ų032.7 Ų32.70%019%0.186CC..Hα-helixtrans-59.7-43.6176.8-68.6161.9000112P249 L252 P254 V260 K270 T271 S276 M277 L278 I284 V502P249-L274 HydrophobicContact CB-CD2 3.8Å; P249-L274 HydrophobicContact CB-CG 4Å; P249-L274 HydrophobicContact CG-CD2 4.32Å; P249-L274 HydrophobicContact CG-CG 4.1Å; L252-L274 HydrophobicContact CD2-CD2 3.57Å; P254-L274 HydrophobicContact CG-CD2 4.22Å; V260-L274 HydrophobicContact CG1-CD1 4.01Å; V260-L274 HydrophobicContact CG1-CD2 4.46Å; K270-L274 WeakPolarHBondContact O-CG 3.25Å; K270-L274 PolarHBondContact O-N 3.02Å; T271-L274 WeakPolarHBondContact O-CB 3.48Å; T271-L274 PolarHBondContact O-N 3.08Å; L274-S276 PolarHBondContact O-N 2.84Å; L274-S276 VanDerWaalsContact O-N 3.14Å; L274-M277 WeakPolarHBondContact O-CB 3.42Å; L274-M277 PolarHBondContact O-N 3.45Å; L274-L278 WeakPolarHBondContact O-CG 3.28Å; L274-L278 PolarHBondContact O-N 3.31Å; L274-I284 HydrophobicContact CB-CD1 3.94Å; L274-I284 HydrophobicContact CD1-CD1 4.46Å; L274-V502 HydrophobicContact CD1-CB 4.42Å; L274-V502 HydrophobicContact CD1-CG2 3.78Å; L274-V502 HydrophobicContact CD2-CG2 4.34Å
275I93.1Very high88.8Confident15 Ų1534.8 Ų34.88%0.07719%0.192CC..Hα-helixtrans-57.1-31.7177.3-67.7166.2000112L165 T271 Q273 M277 I284 K524L165-I275 HydrophobicContact CD1-CB 4.26Å; L165-I275 HydrophobicContact CD1-CG2 3.77Å; L165-I275 HydrophobicContact CD2-CG2 4.04Å; T271-I275 HydrophobicContact CG2-CD1 4.28Å; T271-I275 VanDerWaalsContact O-CG1 3.29Å; T271-I275 WeakPolarHBondContact O-CG1 3.46Å; T271-I275 PolarHBondContact O-N 3.17Å; Q273-I275 PolarHBondContact O-N 2.98Å; I275-M277 VanDerWaalsContact C-N 3.33Å; I275-I284 HydrophobicContact CD1-CG2 4.3Å; I275-I284 HydrophobicContact CG1-CD1 3.97Å; I275-I284 HydrophobicContact CG1-CG2 3.95Å; I275-K524 PolarHBondContact O-NZ 3.11Å
276S91.8Very high89Confident35 Ų3535.4 Ų35.425%0.24520%0.196CC..Hα-helixtrans-73.2-24.1176.876.40000113.8L272 Q273 L274L272-S276 PolarHBondContact O-N 2.73Å; Q273-S276 WeakPolarHBondContact O-CB 2.92Å; Q273-S276 PolarHBondContact O-N 3.24Å; Q273-S276 VanDerWaalsContact O-N 3.1Å; Q273-S276 PolarHBondContact O-OG 2.99Å; L274-S276 PolarHBondContact O-N 2.84Å; L274-S276 VanDerWaalsContact O-N 3.14Å
277M92.9Very high89.5Confident50 Ų5035.5 Ų35.525%0.24619%0.194CC..Hα-helixtrans-86-16.7177.5-56.2172.782.900112.5P249 P254 Q273 L274 I275P249-M277 HydrophobicContact CB-SD 4.09Å; P254-M277 HydrophobicContact CG-CB 4.19Å; P254-M277 HydrophobicContact CG-SD 4.47Å; Q273-M277 PolarHBondContact O-N 3.34Å; L274-M277 WeakPolarHBondContact O-CB 3.42Å; L274-M277 PolarHBondContact O-N 3.45Å; I275-M277 VanDerWaalsContact C-N 3.33Å
278L91.5Very high89.5Confident8 Ų833 Ų334%0.04218%0.176CC..SBendtrans-97.3147.8-174.1-66.3174.8000113.8P254 V260 L274 S282 I284 K524P254-L278 HydrophobicContact CB-CD2 3.97Å; P254-L278 HydrophobicContact CG-CD2 4.06Å; V260-L278 HydrophobicContact CB-CD1 4.1Å; V260-L278 HydrophobicContact CG2-CD1 3.83Å; V260-L278 HydrophobicContact CG2-CD2 3.88Å; V260-L278 HydrophobicContact CG2-CG 4.37Å; L274-L278 WeakPolarHBondContact O-CG 3.28Å; L274-L278 PolarHBondContact O-N 3.31Å; L278-S282 WeakPolarHBondContact CB-OG 3.47Å; L278-I284 HydrophobicContact CD1-CB 4.3Å; L278-K524 PolarHBondContact O-NZ 3.46Å
279S89.6Confident88.5Confident30 Ų3036 Ų3621%0.2118%0.18CC..  trans-80.3168.2174.595.60000111.5P256 N257 K281 S282P256-S279 WeakPolarHBondContact O-CA 3.4Å; P256-S279 WeakPolarHBondContact O-CB 3.31Å; P256-S279 PolarHBondContact O-N 3.3Å; P256-S279 PolarHBondContact O-OG 3.09Å; N257-S279 WeakPolarHBondContact OD1-CB 3.35Å; N257-S279 PolarHBondContact OD1-OG 2.81Å; S279-K281 PolarHBondContact O-N 3.26Å; S279-K281 PolarHBondContact OG-N 3.02Å; S279-K281 VanDerWaalsContact OG-N 3.15Å; S279-S282 PolarHBondContact O-N 2.98Å; S279-S282 PolarHBondContact O-OG 2.94Å
280N86Confident87Confident102 Ų10235.9 Ų35.955%0.54518%0.18SC..THydrogen-bonded Turntrans-69.8-8.7178.1-60.9-10.5000114.1K524N280-K524 WeakPolarHBondContact OD1-CD 3.49Å; N280-K524 WeakPolarHBondContact OD1-CE 3.45Å; N280-K524 VanDerWaalsContact OD1-CG 3.26Å; N280-K524 WeakPolarHBondContact OD1-CG 3.46Å
281K85.3Confident84.7Confident176 Ų17638.5 Ų38.577%0.76520%0.198SC*.THydrogen-bonded Turntrans-86.7-21.7177.8-62.7-178.7179.4179.70112.6S279S279-K281 PolarHBondContact O-N 3.26Å; S279-K281 PolarHBondContact OG-N 3.02Å; S279-K281 VanDerWaalsContact OG-N 3.15Å
282S89Confident82.2Confident5 Ų545 Ų454%0.03523%0.232CC..  trans-69.7158.3177.667.40000113S258 L278 S279S258-S282 WeakPolarHBondContact O-CB 3.43Å; L278-S282 WeakPolarHBondContact CB-OG 3.47Å; S279-S282 PolarHBondContact O-N 2.98Å; S279-S282 PolarHBondContact O-OG 2.94Å
283T88.9Confident79.7Confident10 Ų1045.2 Ų45.26%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-115133.7162.9-50.50000109.6D259 V260 F285 K521 R523D259-T283 CarbonylContact C-O 3.51Å; D259-T283 VanDerWaalsContact CA-O 3.24Å; D259-T283 WeakPolarHBondContact CA-O 3.26Å; D259-T283 WeakPolarHBondContact OD1-CA 3.45Å; D259-T283 WeakPolarHBondContact OD1-CB 3.28Å; D259-T283 PolarHBondContact OD1-N 3.06Å; D259-T283 PolarHBondContact OD1-OG1 2.78Å; V260-T283 PolarHBondContact N-O 2.88Å; T283-F285 HydrophobicContact CG2-CD2 4.23Å; T283-F285 HydrophobicContact CG2-CE1 4.3Å; T283-F285 HydrophobicContact CG2-CE2 3.8Å; T283-F285 HydrophobicContact CG2-CZ 3.85Å; T283-K521 HydrophobicContact CG2-CD 4.22Å; T283-K521 HydrophobicContact CG2-CG 3.56Å; T283-R523 HydrophobicContact CG2-CG 4.42Å
284I90.6Very high76.7Confident4 Ų447.5 Ų47.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-105.9127.4164.4-167.5168000110V260 T271 L274 I275 L278 V286 I522V260-I284 HydrophobicContact CB-CG1 4.17Å; V260-I284 HydrophobicContact CG1-CD1 4.29Å; V260-I284 HydrophobicContact CG1-CG1 4.25Å; V260-I284 CarbonylContact O-C 3.56Å; V260-I284 VanDerWaalsContact O-CA 3.3Å; V260-I284 WeakPolarHBondContact O-CA 3.49Å; T271-I284 HydrophobicContact CG2-CD1 3.74Å; L274-I284 HydrophobicContact CB-CD1 3.94Å; L274-I284 HydrophobicContact CD1-CD1 4.46Å; I275-I284 HydrophobicContact CD1-CG2 4.3Å; I275-I284 HydrophobicContact CG1-CD1 3.97Å; I275-I284 HydrophobicContact CG1-CG2 3.95Å; L278-I284 HydrophobicContact CD1-CB 4.3Å; I284-V286 HydrophobicContact CG1-CG2 4.27Å; I284-V286 HydrophobicContact CG2-CG2 4.39Å; I284-I522 HydrophobicContact CG2-CB 3.78Å; I284-I522 HydrophobicContact CG2-CG2 4.37Å; I284-I522 PolarHBondContact N-O 3.22Å; I284-I522 PolarHBondContact O-N 3.43Å
285F89.8Confident73.9Confident65 Ų6552.6 Ų52.629%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-97.3125.6173.1-61.2-91.1000108.1D259 V260 L261 D262 T283 K521D259-F285 HydrophobicContact CB-CE2 4.22Å; V260-F285 PolarHBondContact O-N 2.88Å; L261-F285 WeakPolarHBondContact CA-O 3.24Å; L261-F285 HydrophobicContact CB-CB 4.36Å; L261-F285 HydrophobicContact CD1-CB 3.61Å; D262-F285 PolarHBondContact N-O 2.84Å; T283-F285 HydrophobicContact CG2-CD2 4.23Å; T283-F285 HydrophobicContact CG2-CE1 4.3Å; T283-F285 HydrophobicContact CG2-CE2 3.8Å; T283-F285 HydrophobicContact CG2-CZ 3.85Å; F285-K521 HydrophobicContact CE1-CD 4.37Å; F285-K521 HydrophobicContact CE1-CG 4.28Å
286V87Confident70.8Confident21 Ų2153.4 Ų53.413%0.12731%0.307CS..EExtended strand (participates in β ladder)trans-120.3116-175.1-1740000107.5A265 T271 I284 F520 I522A265-V286 HydrophobicContact CB-CB 4.45Å; A265-V286 HydrophobicContact CB-CG1 3.19Å; T271-V286 HydrophobicContact CG2-CB 4.46Å; T271-V286 HydrophobicContact CG2-CG1 4.1Å; T271-V286 HydrophobicContact CG2-CG2 3.5Å; T271-V286 VanDerWaalsContact CG2-CG2 3.5Å; I284-V286 HydrophobicContact CG1-CG2 4.27Å; I284-V286 HydrophobicContact CG2-CG2 4.39Å; V286-F520 HydrophobicContact CB-CB 4.38Å; V286-F520 PolarHBondContact N-O 2.82Å; V286-F520 PolarHBondContact O-N 2.69Å; V286-I522 HydrophobicContact CG2-CD1 4.01Å
287V84.9Confident68.2Low21 Ų2156.6 Ų56.613%0.12732%0.321CS..EExtended strand (participates in β ladder)trans-120.8133.1-178-177.60000108.9L261 D262 A263 C264 A265 L517 T519L261-V287 HydrophobicContact CD1-CG2 3.75Å; D262-V287 PolarHBondContact O-N 2.83Å; A263-V287 CarbonylContact C-O 3.58Å; A263-V287 VanDerWaalsContact C-O 3.25Å; C264-V287 WeakPolarHBondContact CA-O 3.4Å; C264-V287 PolarHBondContact N-O 3.32Å; A265-V287 PolarHBondContact N-O 2.83Å; V287-L517 HydrophobicContact CG1-CD2 3.89Å; V287-L517 HydrophobicContact CG1-CG 4.4Å; V287-T519 HydrophobicContact CG2-CG2 4.28Å
288D79Confident65Low34 Ų3459.1 Ų59.118%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-151.8162167.9-152.6-78.6000110A265 A266 D290A265-D288 PolarHBondContact N-OD2 3.48Å; A265-D288 VanDerWaalsContact N-OD2 3.14Å; A266-D288 HydrophobicContact CB-CB 4.26Å; A266-D288 WeakPolarHBondContact CB-OD2 3.32Å; A266-D288 PolarHBondContact N-OD2 3.34Å; D288-D290 PolarHBondContact OD1-N 2.78Å
289R66Low61.9Low85 Ų8563.7 Ų63.732%0.32137%0.367SS..SBendtrans-86.4-23.8-178.8-170.9175.5177.3-170.3-3.8112.4P291 N511R289-P291 WeakPolarHBondContact O-CD 3.36Å; R289-N511 PolarHBondContact NH2-O 2.97Å; R289-N511 VanDerWaalsContact NH2-O 3.16Å
290D58.4Low58.8Low54 Ų5470.9 Ų70.929%0.28939%0.389SS..  trans-100.8109.9-174.3-174.76000112.8D288 N292 S293 G294D288-D290 PolarHBondContact OD1-N 2.78Å; D290-N292 PolarHBondContact O-N 2.9Å; D290-N292 PolarHBondContact OD1-N 2.79Å; D290-S293 PolarHBondContact O-N 3.28Å; D290-S293 PolarHBondContact OD2-OG 3.12Å; D290-G294 PolarHBondContact O-N 3.37Å
291P43.4Very low55.7Low67 Ų6773.6 Ų73.644%0.43540%0.399SS..Hα-helixtrans-63.9-27176.725-32.3000113.1R289 S293 F518R289-P291 WeakPolarHBondContact O-CD 3.36Å; P291-S293 VanDerWaalsContact C-N 3.33Å; P291-F518 HydrophobicContact CB-CD2 4.13Å; P291-F518 HydrophobicContact CB-CE2 3.79Å; P291-F518 HydrophobicContact CB-CZ 4.32Å; P291-F518 HydrophobicContact CG-CE2 4.06Å
292N38.7Very low53Low142 Ų14271.5 Ų71.576%0.75940%0.403SS*.Hα-helixtrans-83.1-10.6179.9-72.2-22.6000113.3D290D290-N292 PolarHBondContact O-N 2.9Å; D290-N292 PolarHBondContact OD1-N 2.79Å
293S41.2Very low50.1Low26 Ų2677.7 Ų77.718%0.18244%0.436CS..Hα-helixtrans-96.6-19.6174.2-68.50000113.1D290 P291D290-S293 PolarHBondContact O-N 3.28Å; D290-S293 PolarHBondContact OD2-OG 3.12Å; P291-S293 VanDerWaalsContact C-N 3.33Å
294G31.8Very low47Very low48 Ų4881.3 Ų81.350%0.49548%0.476SS..Hα-helixtrans-86.5-23.1-173.800000115.8D290D290-G294 PolarHBondContact O-N 3.37Å
295S32.7Very low43.9Very low107 Ų10784.1 Ų84.175%0.74851%0.505SS*.SBendtrans-101.90.8-175.253.10000114.5
296G29.4Very low40.7Very low32 Ų3288.5 Ų88.533%0.3353%0.531SS..  trans-134.7114.3-176.500000112.6S298G296-S298 PolarHBondContact O-N 3.07Å
297L35.5Very low37.9Very low101 Ų10196 Ų9653%0.52957%0.565SS.*  trans-57.526149-11283000112.8K236K236-L297 HydrophobicContact CD-CD2 4.05Å
298S26.2Very low35Very low104 Ų104103.9 Ų103.973%0.72760%0.601SS**  trans-89.9128.1-177.8-169.10000109.5G296 R300G296-S298 PolarHBondContact O-N 3.07Å; S298-R300 PolarHBondContact O-N 3.2Å
299I26.4Very low32.5Very low104 Ų104112 Ų11253%0.53364%0.635SS.*  trans-61.3116.7-175.4-62.6165.2000109.1Y233 Q301Y233-I299 HydrophobicContact CE1-CD1 4.34Å; I299-Q301 PolarHBondContact O-N 3.02Å; I299-Q301 VanDerWaalsContact O-N 3.07Å
300R24.1Very low30.6Very low180 Ų180114 Ų11468%0.67965%0.652SS**  trans-62.7107.4162.4-104.4-176.2167-175.9-0.4108.6S298S298-R300 PolarHBondContact O-N 3.2Å
301Q22.3Very low29Very low159 Ų159120 Ų12074%0.74368%0.675SS**  trans-81.6141.2151.8-74.5-168.8-18.200107.9I299 D303I299-Q301 PolarHBondContact O-N 3.02Å; I299-Q301 VanDerWaalsContact O-N 3.07Å; Q301-D303 PolarHBondContact O-N 2.74Å
302P27.1Very low28.2Very low132 Ų132125.7 Ų125.786%0.85769%0.693SS**  trans-66.4104.4-179.426-31.3000109.9G304P302-G304 PolarHBondContact O-N 3.1Å
303D28.6Very low27.5Very low135 Ų135125 Ų12572%0.72270%0.695SS**  trans-63.7107.8-179.98.5-22.8000109.3Q301 G305Q301-D303 PolarHBondContact O-N 2.74Å; D303-G305 PolarHBondContact O-N 3.42Å
304G24.1Very low26.9Very low87 Ų87131.5 Ų131.590%0.89772%0.722SS**  trans-86.987.1164.300000109P302P302-G304 PolarHBondContact O-N 3.1Å
305G24.9Very low26.7Very low62 Ų62138.8 Ų138.864%0.63974%0.74SS**  trans-113.6121.7171.500000110.7D303 E307D303-G305 PolarHBondContact O-N 3.42Å; G305-E307 PolarHBondContact O-N 3.03Å; G305-E307 VanDerWaalsContact O-N 3.13Å
306D24Very low26.5Very low157 Ų157143.1 Ų143.184%0.8475%0.745SS**  trans-70.392.2170.7-73.9-45.2000109.2
307E28Very low26.7Very low180 Ų180146.5 Ų146.584%0.84176%0.764SS**  trans-88.4120161-79.1-171.5170.100109.7G305 F309G305-E307 PolarHBondContact O-N 3.03Å; G305-E307 VanDerWaalsContact O-N 3.13Å; E307-F309 PolarHBondContact O-N 3.46Å; E307-F309 VanDerWaalsContact O-N 3.15Å
308Q22.7Very low26.8Very low185 Ų185149.6 Ų149.686%0.86478%0.781SS**  trans-62.5106.8177.5-67.6172.4-0.700109.3
309F27.4Very low27.3Very low206 Ų206151.1 Ų151.190%0.90478%0.781SS**  trans-96.1108.1165.3-131.3-93.1000108.7E307E307-F309 PolarHBondContact O-N 3.46Å; E307-F309 VanDerWaalsContact O-N 3.15Å
310D25.9Very low27.9Very low125 Ų125154.6 Ų154.667%0.66879%0.788SS**  trans-72.4136.2178.4-109-36.3000111.8
311K24.5Very low28.5Very low181 Ų181151.2 Ų151.279%0.78778%0.783SS**  trans22.197.7151.7-67.8171.4178169.30118.5
312F26.8Very low29.6Very low186 Ų186145.3 Ų145.382%0.81676%0.757SS**  trans-138.886.2138.8-94.4-83000109.4H314F312-H314 AromaticContact CD1-CD2 3.87Å
313T24.7Very low30.4Very low129 Ų129143.9 Ų143.979%0.79175%0.745SS**  trans-104.287.8164.653.80000107.9K315T313-K315 PolarHBondContact O-N 2.67Å
314H28.7Very low31.2Very low162 Ų162142.4 Ų142.475%0.7573%0.73SS**  trans-77109.6164.8-91.5-68.8000108.6F312 K316F312-H314 AromaticContact CD1-CD2 3.87Å; H314-K316 PolarHBondContact O-N 3.14Å
315K25.9Very low33.1Very low201 Ų201141.4 Ų141.487%0.87471%0.71SS**  trans-71.9110164.4-74.7179.8175179.20108.2T313T313-K315 PolarHBondContact O-N 2.67Å
316K30Very low35.1Very low198 Ų198143.8 Ų143.886%0.86170%0.704SS**  trans-128.8141.1154.2-83.1-170.3177.1179.30109.1H314H314-K316 PolarHBondContact O-N 3.14Å
317S32.9Very low37.4Very low103 Ų103142 Ų14272%0.7269%0.69SS**  trans-63.1140.5-167.844.80000115.4N319S317-N319 VanDerWaalsContact C-N 3.27Å; S317-N319 PolarHBondContact O-N 3.21Å
318D37.1Very low39.4Very low165 Ų165136.4 Ų136.488%0.88266%0.662SS**SBendtrans47.96.6150.2-58.9-10.8000122.3
319N37.9Very low41.9Very low136 Ų136131 Ų13173%0.72765%0.645SS**  trans-113.9104156.8-80.3-25.5000108.2S317 I321S317-N319 VanDerWaalsContact C-N 3.27Å; S317-N319 PolarHBondContact O-N 3.21Å; N319-I321 HydrophobicContact CB-CG1 4.36Å; N319-I321 PolarHBondContact O-N 2.81Å
320Y38.6Very low44.4Very low177 Ų177123.8 Ų123.869%0.69462%0.62SS**  trans-67.277.8172.8-168.4-91000108.9D322Y320-D322 HydrophobicContact CE1-CB 4.43Å; Y320-D322 PolarHBondContact O-N 2.62Å
321I35.8Very low47Very low109 Ų109121.2 Ų121.256%0.55960%0.601SS**  trans-79.2115.4166.9-60.8171.8000105.1N319 V323 E326N319-I321 HydrophobicContact CB-CG1 4.36Å; N319-I321 PolarHBondContact O-N 2.81Å; I321-V323 VanDerWaalsContact C-N 3.32Å; I321-V323 PolarHBondContact O-N 3.06Å; I321-E326 WeakPolarHBondContact CG2-OE1 3.28Å
322D45.6Very low49.5Very low36 Ų36113.4 Ų113.419%0.19357%0.568CS.*  trans-68.688.4-177.2-1778.4000110.4Y320 Y324 S325 E326Y320-D322 HydrophobicContact CE1-CB 4.43Å; Y320-D322 PolarHBondContact O-N 2.62Å; D322-Y324 PolarHBondContact O-N 3.48Å; D322-Y324 WeakPolarHBondContact OD1-CB 3.4Å; D322-Y324 PolarHBondContact OD1-N 3.42Å; D322-S325 WeakPolarHBondContact O-CB 3.44Å; D322-S325 PolarHBondContact O-N 3.03Å; D322-E326 PolarHBondContact O-N 3.3Å
323V43.8Very low52.4Low102 Ų102110.2 Ų110.262%0.61855%0.554SS**Hα-helixtrans-50.2-28.7177.8-179.40000112I321 E327I321-V323 VanDerWaalsContact C-N 3.32Å; I321-V323 PolarHBondContact O-N 3.06Å; V323-E327 PolarHBondContact O-N 3.49Å; V323-E327 VanDerWaalsContact O-N 3.09Å
324Y46.2Very low55.2Low103 Ų103109.1 Ų109.140%0.40454%0.535SS..Hα-helixtrans-76.5-36.6178.6-73.8-76.2000113.2D322 E326 E327 Y328D322-Y324 PolarHBondContact O-N 3.48Å; D322-Y324 WeakPolarHBondContact OD1-CB 3.4Å; D322-Y324 PolarHBondContact OD1-N 3.42Å; Y324-E326 VanDerWaalsContact C-N 3.27Å; Y324-E326 PolarHBondContact O-N 2.93Å; Y324-E327 PolarHBondContact O-N 3.2Å; Y324-Y328 VanDerWaalsContact O-CB 3.23Å; Y324-Y328 WeakPolarHBondContact O-CB 3.5Å; Y324-Y328 PolarHBondContact O-N 3.41Å
325S64.2Low57.9Low67 Ų67102.7 Ų102.747%0.46951%0.506SS..Hα-helixtrans-61.4-39.8173.2-178.10000110.9D322 S329D322-S325 WeakPolarHBondContact O-CB 3.44Å; D322-S325 PolarHBondContact O-N 3.03Å; S325-S329 WeakPolarHBondContact O-CB 3.3Å; S325-S329 PolarHBondContact O-N 2.99Å
326E67.1Low60.8Low111 Ų11193.6 Ų93.652%0.51947%0.467SS..Hα-helixtrans-66-44.4174.7-70.1-174.2177.900112.7I321 D322 Y324 S330I321-E326 WeakPolarHBondContact CG2-OE1 3.28Å; D322-E326 PolarHBondContact O-N 3.3Å; Y324-E326 VanDerWaalsContact C-N 3.27Å; Y324-E326 PolarHBondContact O-N 2.93Å; E326-S330 WeakPolarHBondContact O-CB 3.13Å; E326-S330 PolarHBondContact O-N 3.45Å; E326-S330 PolarHBondContact O-OG 3.21Å
327E71Confident63.7Low119 Ų11987.8 Ų87.856%0.55645%0.446SS*.Hα-helixtrans-64.3-42.3177.3-168.9-172.1169.800111.6V323 Y324 S330 R331V323-E327 PolarHBondContact O-N 3.49Å; V323-E327 VanDerWaalsContact O-N 3.09Å; Y324-E327 PolarHBondContact O-N 3.2Å; E327-S330 PolarHBondContact O-N 2.84Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 2.97Å
328Y69.8Low66.3Low64 Ų6486 Ų8625%0.25143%0.428SS..Hα-helixtrans-63.7-48.4177.5-179-100.9000111.7Y31 Y324 S330 R331 L332 H363Y31-Y328 HydrophobicContact CD1-CD2 4.33Å; Y31-Y328 AromaticContact CD1-CE2 3.74Å; Y31-Y328 HydrophobicContact CD1-CE2 3.74Å; Y31-Y328 HydrophobicContact CE1-CE2 4.21Å; Y31-Y328 HydrophobicContact CG-CE2 4.33Å; Y324-Y328 VanDerWaalsContact O-CB 3.23Å; Y324-Y328 WeakPolarHBondContact O-CB 3.5Å; Y324-Y328 PolarHBondContact O-N 3.41Å; Y328-S330 VanDerWaalsContact C-N 3.33Å; Y328-S330 PolarHBondContact O-N 3.34Å; Y328-R331 WeakPolarHBondContact O-CB 3.48Å; Y328-R331 PolarHBondContact O-N 3.35Å; Y328-R331 VanDerWaalsContact O-N 3.17Å; Y328-L332 HydrophobicContact CD1-CD1 3.95Å; Y328-L332 HydrophobicContact CD1-CG 4.48Å; Y328-L332 HydrophobicContact CE1-CD1 3.33Å; Y328-L332 HydrophobicContact CE1-CG 4.05Å; Y328-L332 PolarHBondContact O-N 3.09Å; Y328-H363 PolarHBondContact OH-CE1 3.04Å; Y328-H363 PolarHBondContact OH-NE2 3.24Å
329S76.6Confident68.8Low72 Ų7278.4 Ų78.450%0.50339%0.387SS..Hα-helixtrans-59.6-44.4174.3-179.10000111.4S325 R331 L332 K333S325-S329 WeakPolarHBondContact O-CB 3.3Å; S325-S329 PolarHBondContact O-N 2.99Å; S329-R331 VanDerWaalsContact C-N 3.3Å; S329-R331 PolarHBondContact O-N 3.09Å; S329-L332 PolarHBondContact O-N 2.94Å; S329-K333 WeakPolarHBondContact O-CB 3.43Å; S329-K333 PolarHBondContact O-N 3.4Å
330S79.1Confident71.4Confident54 Ų5472 Ų7238%0.37835%0.353SS..Hα-helixtrans-61.2-39.2175.4-63.70000112E326 E327 Y328 K333 R334E326-S330 WeakPolarHBondContact O-CB 3.13Å; E326-S330 PolarHBondContact O-N 3.45Å; E326-S330 PolarHBondContact O-OG 3.21Å; E327-S330 PolarHBondContact O-N 2.84Å; Y328-S330 VanDerWaalsContact C-N 3.33Å; Y328-S330 PolarHBondContact O-N 3.34Å; S330-K333 PolarHBondContact O-N 3.46Å; S330-R334 VanDerWaalsContact O-CG 3.31Å; S330-R334 WeakPolarHBondContact O-CG 3.48Å; S330-R334 PolarHBondContact O-N 2.83Å
331R80.7Confident73.9Confident70 Ų7068.5 Ų68.526%0.26434%0.344SS..Hα-helixtrans-65.5-49.4175.6179.5-176.9175.68415111.3E327 Y328 S329 K333 R334 L335 N507E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 2.97Å; Y328-R331 WeakPolarHBondContact O-CB 3.48Å; Y328-R331 PolarHBondContact O-N 3.35Å; Y328-R331 VanDerWaalsContact O-N 3.17Å; S329-R331 VanDerWaalsContact C-N 3.3Å; S329-R331 PolarHBondContact O-N 3.09Å; R331-K333 VanDerWaalsContact C-N 3.26Å; R331-K333 PolarHBondContact O-N 3.3Å; R331-R334 PolarHBondContact O-N 3.04Å; R331-L335 HydrophobicContact CG-CD1 4.24Å; R331-L335 WeakPolarHBondContact O-CG 3.45Å; R331-L335 PolarHBondContact O-N 3.42Å; R331-N507 PolarHBondContact NH2-O 3.37Å
332L77.8Confident76.5Confident18 Ų1865.7 Ų65.79%0.09433%0.33CS..Hα-helixtrans-56.7-42.9175.9-77.6178.5000111.1Y328 S329 L335 S336 H363 E366Y328-L332 HydrophobicContact CD1-CD1 3.95Å; Y328-L332 HydrophobicContact CD1-CG 4.48Å; Y328-L332 HydrophobicContact CE1-CD1 3.33Å; Y328-L332 HydrophobicContact CE1-CG 4.05Å; Y328-L332 PolarHBondContact O-N 3.09Å; S329-L332 PolarHBondContact O-N 2.94Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-S336 PolarHBondContact O-N 3.43Å; L332-S336 PolarHBondContact O-OG 3.4Å; L332-H363 HydrophobicContact CD2-CB 4.29Å; L332-E366 HydrophobicContact CD2-CG 4.26Å
333K86.9Confident78.9Confident119 Ų11964 Ų6452%0.51732%0.321SS..Hα-helixtrans-64.3-40.9177.3-17357175168.60113S329 S330 R331 L335 S336 N337S329-K333 WeakPolarHBondContact O-CB 3.43Å; S329-K333 PolarHBondContact O-N 3.4Å; S330-K333 PolarHBondContact O-N 3.46Å; R331-K333 VanDerWaalsContact C-N 3.26Å; R331-K333 PolarHBondContact O-N 3.3Å; K333-L335 VanDerWaalsContact C-N 3.34Å; K333-S336 PolarHBondContact O-OG 3.14Å; K333-S336 VanDerWaalsContact O-OG 3.1Å; K333-N337 WeakPolarHBondContact CE-OD1 3.45Å; K333-N337 PolarHBondContact NZ-OD1 2.91Å; K333-N337 WeakPolarHBondContact O-CB 3.25Å; K333-N337 PolarHBondContact O-N 3.46Å; K333-N337 PolarHBondContact O-ND2 3.41Å; K333-N337 PolarHBondContact O-OD1 3.45Å
334R84.5Confident81.3Confident106 Ų10662 Ų6240%0.430%0.304SS..Hα-helixtrans-63-40.9174.7-74.2-176.1-60.4-107.73.2111.7S330 R331 L338 M510S330-R334 VanDerWaalsContact O-CG 3.31Å; S330-R334 WeakPolarHBondContact O-CG 3.48Å; S330-R334 PolarHBondContact O-N 2.83Å; R331-R334 PolarHBondContact O-N 3.04Å; R334-L338 WeakPolarHBondContact O-CB 3.31Å; R334-L338 PolarHBondContact O-N 3.22Å; R334-M510 HydrophobicContact CB-CE 4.16Å; R334-M510 HydrophobicContact CG-CE 4.43Å
335L83.8Confident83.5Confident27 Ų2762.1 Ų62.114%0.14131%0.308CS..Hα-helixtrans-65.9-48.6178.1-71.1172.1000111.7R331 L332 K333 N337 L338 Q339R331-L335 HydrophobicContact CG-CD1 4.24Å; R331-L335 WeakPolarHBondContact O-CG 3.45Å; R331-L335 PolarHBondContact O-N 3.42Å; L332-L335 PolarHBondContact O-N 2.95Å; K333-L335 VanDerWaalsContact C-N 3.34Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 3.45Å; L335-Q339 WeakPolarHBondContact O-CB 3.43Å; L335-Q339 WeakPolarHBondContact O-CG 3.46Å; L335-Q339 PolarHBondContact O-N 3.42Å
336S87.3Confident84.9Confident9 Ų959.1 Ų59.16%0.06329%0.287CS..Hα-helixtrans-63.1-39.6178.861.50000112.3L332 K333 L338 Q339 A340 E365L332-S336 PolarHBondContact O-N 3.43Å; L332-S336 PolarHBondContact O-OG 3.4Å; K333-S336 PolarHBondContact O-OG 3.14Å; K333-S336 VanDerWaalsContact O-OG 3.1Å; S336-L338 PolarHBondContact O-N 2.88Å; S336-Q339 PolarHBondContact O-N 3.4Å; S336-A340 WeakPolarHBondContact O-CB 3.5Å; S336-A340 PolarHBondContact O-N 3.34Å; S336-E365 WeakPolarHBondContact CB-O 3.48Å
337N90.6Very high86.2Confident77 Ų7754.8 Ų54.841%0.41227%0.267SS..Hα-helixtrans-62.4-42.5173.8-71-9.1000112.2K333 L335 M341K333-N337 WeakPolarHBondContact CE-OD1 3.45Å; K333-N337 PolarHBondContact NZ-OD1 2.91Å; K333-N337 WeakPolarHBondContact O-CB 3.25Å; K333-N337 PolarHBondContact O-N 3.46Å; K333-N337 PolarHBondContact O-ND2 3.41Å; K333-N337 PolarHBondContact O-OD1 3.45Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.37Å; N337-M341 WeakPolarHBondContact O-CB 3.49Å; N337-M341 PolarHBondContact O-N 3.39Å
338L87.7Confident87.3Confident66 Ų6656 Ų5635%0.34627%0.27SS..Hα-helixtrans-63.7-45.1176176.460.6000111.2R334 L335 S336 M341 L342R334-L338 WeakPolarHBondContact O-CB 3.31Å; R334-L338 PolarHBondContact O-N 3.22Å; L335-L338 PolarHBondContact O-N 3.45Å; S336-L338 PolarHBondContact O-N 2.88Å; L338-M341 HydrophobicContact CD1-CE 3.55Å; L338-M341 PolarHBondContact O-N 2.98Å; L338-L342 HydrophobicContact CD1-CD1 4.31Å; L338-L342 HydrophobicContact CD1-CG 4.24Å; L338-L342 HydrophobicContact CG-CD1 4.27Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.14Å
339Q89.9Confident88.4Confident4 Ų456.7 Ų56.72%0.01928%0.275CS..Hα-helixtrans-59.1-48177.4-70.5157.43.600111.3L335 S336 M341 L342 L343 Y357 E366 V370 S505L335-Q339 WeakPolarHBondContact O-CB 3.43Å; L335-Q339 WeakPolarHBondContact O-CG 3.46Å; L335-Q339 PolarHBondContact O-N 3.42Å; S336-Q339 PolarHBondContact O-N 3.4Å; Q339-M341 PolarHBondContact O-N 2.84Å; Q339-L342 PolarHBondContact O-N 2.86Å; Q339-L343 WeakPolarHBondContact O-CG 3.41Å; Q339-L343 PolarHBondContact O-N 3.01Å; Q339-Y357 HydrophobicContact CB-CE2 4.27Å; Q339-Y357 VanDerWaalsContact CD-OH 3.29Å; Q339-Y357 HydrophobicContact CG-CE2 4.48Å; Q339-Y357 PolarHBondContact OE1-OH 3.29Å; Q339-E366 PolarHBondContact NE2-OE1 3.07Å; Q339-E366 PolarHBondContact OE1-O 2.92Å; Q339-V370 HydrophobicContact CB-CG1 4.18Å; Q339-V370 HydrophobicContact CB-CG2 4.25Å; Q339-S505 PolarHBondContact NE2-OG 2.98Å
340A92.8Very high89.1Confident2 Ų258 Ų582%0.01728%0.282CS..Hα-helixtrans-62.3-41.3176.100000112S336 L343 K344 V370 I374S336-A340 WeakPolarHBondContact O-CB 3.5Å; S336-A340 PolarHBondContact O-N 3.34Å; A340-L343 PolarHBondContact O-N 3.25Å; A340-K344 WeakPolarHBondContact O-CB 3.34Å; A340-K344 VanDerWaalsContact O-CG 3.26Å; A340-K344 WeakPolarHBondContact O-CG 3.33Å; A340-K344 PolarHBondContact O-N 2.72Å; A340-V370 HydrophobicContact CB-CG1 4.38Å; A340-I374 HydrophobicContact CB-CD1 4.34Å
341M91.4Very high89.7Confident103 Ų10358.7 Ų58.751%0.50728%0.281SS..Hα-helixtrans-62.4-45.4177.5-179.9-88.3-7700112.2N337 L338 Q339 K344 H345N337-M341 WeakPolarHBondContact O-CB 3.49Å; N337-M341 PolarHBondContact O-N 3.39Å; L338-M341 HydrophobicContact CD1-CE 3.55Å; L338-M341 PolarHBondContact O-N 2.98Å; Q339-M341 PolarHBondContact O-N 2.84Å; M341-K344 PolarHBondContact O-N 2.95Å; M341-H345 PolarHBondContact O-N 3.31Å
342L90.5Very high90.4Very high51 Ų5155.4 Ų55.427%0.26727%0.269SS..Hα-helixtrans-62.3-43.3176.8-70.1173.9000111.7L338 Q339 H345 A346 V503L338-L342 HydrophobicContact CD1-CD1 4.31Å; L338-L342 HydrophobicContact CD1-CG 4.24Å; L338-L342 HydrophobicContact CG-CD1 4.27Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.14Å; Q339-L342 PolarHBondContact O-N 2.86Å; L342-H345 PolarHBondContact O-N 3.1Å; L342-A346 PolarHBondContact O-N 3.47Å; L342-V503 HydrophobicContact CB-CG1 4.33Å
343L94.6Very high91.3Very high0 Ų057.9 Ų57.90%028%0.28CS..Hα-helixtrans-62.2-49.3175.2-75.7168.4000111.3Q339 A340 H345 A346 F347 V355 Y357 V370 I374 V503Q339-L343 WeakPolarHBondContact O-CG 3.41Å; Q339-L343 PolarHBondContact O-N 3.01Å; A340-L343 PolarHBondContact O-N 3.25Å; L343-H345 PolarHBondContact O-N 3.29Å; L343-A346 WeakPolarHBondContact O-CA 3.5Å; L343-A346 WeakPolarHBondContact O-CB 3.43Å; L343-A346 PolarHBondContact O-N 2.92Å; L343-F347 HydrophobicContact CB-CE2 4.3Å; L343-F347 HydrophobicContact CD2-CE2 4.38Å; L343-F347 WeakPolarHBondContact O-CD2 3.35Å; L343-F347 PolarHBondContact O-N 3.31Å; L343-V355 HydrophobicContact CD2-CG1 3.97Å; L343-Y357 HydrophobicContact CD1-CD1 4.39Å; L343-Y357 HydrophobicContact CD1-CD2 3.62Å; L343-Y357 HydrophobicContact CD1-CE2 3.89Å; L343-Y357 HydrophobicContact CD1-CG 3.86Å; L343-Y357 HydrophobicContact CD2-CD2 4.03Å; L343-Y357 HydrophobicContact CD2-CG 4.32Å; L343-Y357 HydrophobicContact CG-CD2 4.11Å; L343-V370 HydrophobicContact CD1-CG1 3.64Å; L343-I374 HydrophobicContact CB-CD1 3.68Å; L343-I374 HydrophobicContact CB-CG1 3.88Å; L343-I374 HydrophobicContact CB-CG2 4.41Å; L343-I374 HydrophobicContact CD1-CD1 4.44Å; L343-I374 HydrophobicContact CD1-CG1 3.75Å; L343-I374 HydrophobicContact CG-CG1 4.48Å; L343-V503 HydrophobicContact CD2-CB 4.04Å; L343-V503 HydrophobicContact CD2-CG1 4.45Å; L343-V503 HydrophobicContact CD2-CG2 3.83Å
344K95.1Very high91.8Very high61 Ų6154.9 Ų54.927%0.26527%0.265SS..Hα-helixtrans-55.8-36.8176.5-73.1175.9-175.2170.80112.1A340 M341 K348 E373 I374 Y377A340-K344 WeakPolarHBondContact O-CB 3.34Å; A340-K344 VanDerWaalsContact O-CG 3.26Å; A340-K344 WeakPolarHBondContact O-CG 3.33Å; A340-K344 PolarHBondContact O-N 2.72Å; M341-K344 PolarHBondContact O-N 2.95Å; K344-K348 WeakPolarHBondContact O-CG 3.48Å; K344-E373 VanDerWaalsContact CE-OE1 3.27Å; K344-E373 WeakPolarHBondContact CE-OE1 3.46Å; K344-E373 IonicContact NZ-OE1 3.32Å; K344-E373 PolarHBondContact NZ-OE1 2.96Å; K344-I374 HydrophobicContact CG-CD1 3.66Å; K344-Y377 HydrophobicContact CB-CE1 4.02Å; K344-Y377 HydrophobicContact CD-CD1 4.49Å; K344-Y377 HydrophobicContact CD-CE1 4.45Å; K344-Y377 HydrophobicContact CD-CE2 4.45Å; K344-Y377 HydrophobicContact CG-CD1 3.75Å; K344-Y377 HydrophobicContact CG-CE1 3.7Å; K344-Y377 HydrophobicContact CG-CG 4.25Å
345H93Very high92.4Very high104 Ų10449.9 Ų49.948%0.48125%0.246SC..Hα-helixtrans-68.5-44.8173.8-173.280.3000112M341 L342 L343 F347 K348 F349M341-H345 PolarHBondContact O-N 3.31Å; L342-H345 PolarHBondContact O-N 3.1Å; L343-H345 PolarHBondContact O-N 3.29Å; H345-F347 VanDerWaalsContact C-N 3.26Å; H345-F347 PolarHBondContact O-N 3.04Å; H345-K348 WeakPolarHBondContact O-CB 3.35Å; H345-K348 PolarHBondContact O-N 2.85Å; H345-F349 AromaticContact CD2-CE2 4Å; H345-F349 AromaticContact NE2-CZ 3.84Å
346A92.9Very high93Very high4 Ų448.6 Ų48.63%0.03324%0.239CC..Hα-helixtrans-56-38.5176.700000112.8L342 L343 K348 F349 I501 V503L342-A346 PolarHBondContact O-N 3.47Å; L343-A346 WeakPolarHBondContact O-CA 3.5Å; L343-A346 WeakPolarHBondContact O-CB 3.43Å; L343-A346 PolarHBondContact O-N 2.92Å; A346-K348 PolarHBondContact O-N 3.36Å; A346-F349 VanDerWaalsContact O-CD2 3.29Å; A346-F349 WeakPolarHBondContact O-CD2 3.13Å; A346-F349 PolarHBondContact O-N 2.96Å; A346-I501 HydrophobicContact CB-CD1 3.78Å; A346-I501 HydrophobicContact CB-CG2 4.04Å; A346-I501 WeakPolarHBondContact O-CD1 3.22Å; A346-V503 HydrophobicContact CB-CG2 4.42Å
347F94.7Very high93.5Very high21 Ų2148.2 Ų48.29%0.09224%0.237CC..THydrogen-bonded Turntrans-73-9.8176.9-70-73.9000114.7L343 H345 V355 I374 V378 F382 F445L343-F347 HydrophobicContact CB-CE2 4.3Å; L343-F347 HydrophobicContact CD2-CE2 4.38Å; L343-F347 WeakPolarHBondContact O-CD2 3.35Å; L343-F347 PolarHBondContact O-N 3.31Å; H345-F347 VanDerWaalsContact C-N 3.26Å; H345-F347 PolarHBondContact O-N 3.04Å; F347-V355 HydrophobicContact CD1-CG2 4.08Å; F347-V355 HydrophobicContact CE1-CB 3.99Å; F347-V355 HydrophobicContact CE1-CG2 3.62Å; F347-V355 HydrophobicContact CE2-CG1 4.4Å; F347-V355 HydrophobicContact CZ-CB 3.85Å; F347-V355 HydrophobicContact CZ-CG1 4.06Å; F347-V355 HydrophobicContact CZ-CG2 3.92Å; F347-I374 HydrophobicContact CD2-CG2 4.13Å; F347-I374 HydrophobicContact CE2-CG2 3.4Å; F347-I374 HydrophobicContact CZ-CG2 4.05Å; F347-V378 HydrophobicContact CB-CG1 3.97Å; F347-V378 HydrophobicContact CD1-CB 4.46Å; F347-V378 HydrophobicContact CD1-CG1 3.94Å; F347-V378 HydrophobicContact CD2-CG1 3.65Å; F347-V378 HydrophobicContact CE1-CG1 4.34Å; F347-V378 HydrophobicContact CE1-CG2 4.32Å; F347-V378 HydrophobicContact CE2-CG1 4.15Å; F347-V378 HydrophobicContact CG-CG1 3.58Å; F347-V378 HydrophobicContact CZ-CG1 4.45Å; F347-V378 HydrophobicContact CZ-CG2 4.4Å; F347-F382 AromaticContact CD1-CD1 3.92Å; F347-F382 HydrophobicContact CD1-CD1 3.92Å; F347-F382 AromaticContact CD1-CD2 3.67Å; F347-F382 HydrophobicContact CD1-CD2 3.67Å; F347-F382 AromaticContact CD1-CE1 3.92Å; F347-F382 HydrophobicContact CD1-CE1 3.92Å; F347-F382 AromaticContact CD1-CE2 3.7Å; F347-F382 HydrophobicContact CD1-CE2 3.7Å; F347-F382 AromaticContact CD1-CG 3.83Å; F347-F382 HydrophobicContact CD1-CG 3.83Å; F347-F382 AromaticContact CD1-CZ 3.85Å; F347-F382 HydrophobicContact CD1-CZ 3.85Å; F347-F382 HydrophobicContact CE1-CB 4.23Å; F347-F382 AromaticContact CE1-CD1 3.67Å; F347-F382 HydrophobicContact CE1-CD1 3.67Å; F347-F382 HydrophobicContact CE1-CD2 4.06Å; F347-F382 HydrophobicContact CE1-CE1 4.02Å; F347-F382 HydrophobicContact CE1-CE2 4.41Å; F347-F382 AromaticContact CE1-CG 3.72Å; F347-F382 HydrophobicContact CE1-CG 3.72Å; F347-F382 HydrophobicContact CE1-CZ 4.41Å; F347-F445 HydrophobicContact CE1-CB 3.8Å; F347-F445 HydrophobicContact CE1-CG 4.21Å; F347-F445 HydrophobicContact CZ-CB 3.69Å; F347-F445 HydrophobicContact CZ-CD1 4.26Å; F347-F445 AromaticContact CZ-CD2 3.81Å; F347-F445 HydrophobicContact CZ-CD2 3.81Å; F347-F445 HydrophobicContact CZ-CE2 4.49Å; F347-F445 AromaticContact CZ-CG 3.65Å; F347-F445 HydrophobicContact CZ-CG 3.65Å
348K92.6Very high93.7Very high143 Ų14344.5 Ų44.562%0.62222%0.217SC*.THydrogen-bonded Turntrans-79.7-16.1174.9-67.3176.7-178.1-175.20113.1K344 H345 A346 P350K344-K348 WeakPolarHBondContact O-CG 3.48Å; H345-K348 WeakPolarHBondContact O-CB 3.35Å; H345-K348 PolarHBondContact O-N 2.85Å; A346-K348 PolarHBondContact O-N 3.36Å; K348-P350 WeakPolarHBondContact O-CD 3.22Å
349F93.2Very high93.9Very high80 Ų8041.4 Ų41.435%0.35120%0.201SC..  trans-66.5120.7177.1-70.3-70.9000110.1L261 H345 A346 N351 V352 I501L261-F349 HydrophobicContact CD2-CE2 3.8Å; L261-F349 HydrophobicContact CD2-CZ 4.22Å; H345-F349 AromaticContact CD2-CE2 4Å; H345-F349 AromaticContact NE2-CZ 3.84Å; A346-F349 VanDerWaalsContact O-CD2 3.29Å; A346-F349 WeakPolarHBondContact O-CD2 3.13Å; A346-F349 PolarHBondContact O-N 2.96Å; F349-N351 VanDerWaalsContact C-N 3.26Å; F349-N351 PolarHBondContact O-N 3.16Å; F349-V352 HydrophobicContact CB-CB 4.17Å; F349-V352 HydrophobicContact CB-CG1 4.48Å; F349-V352 WeakPolarHBondContact O-CG1 3.2Å; F349-V352 PolarHBondContact O-N 3.32Å; F349-V352 VanDerWaalsContact O-N 3.15Å; F349-I501 HydrophobicContact CD2-CD1 3.49Å; F349-I501 VanDerWaalsContact CD2-CD1 3.49Å; F349-I501 HydrophobicContact CE2-CD1 4.11Å; F349-I501 HydrophobicContact CG-CD1 4.33Å
350P91.7Very high93.8Very high99 Ų9944.1 Ų44.164%0.64322%0.219SC*.THydrogen-bonded Turntrans-62.4-32.7-170.222-33.2000113.5K348 K447K348-P350 WeakPolarHBondContact O-CD 3.22Å; P350-K447 PolarHBondContact O-NZ 2.97Å
351N92.4Very high93.3Very high69 Ų6944.4 Ų44.437%0.36922%0.221SC..THydrogen-bonded Turntrans-93.23.3-176.8-64.3-14.9000113.8F349 Q353 T497 A499F349-N351 VanDerWaalsContact C-N 3.26Å; F349-N351 PolarHBondContact O-N 3.16Å; N351-Q353 PolarHBondContact O-N 3.06Å; N351-T497 PolarHBondContact ND2-O 2.93Å; N351-A499 PolarHBondContact O-N 3.15Å
352V95.3Very high92.9Very high0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-65.9128.1179.4720000110.3F349 V355 F382 K447 A499 I501F349-V352 HydrophobicContact CB-CB 4.17Å; F349-V352 HydrophobicContact CB-CG1 4.48Å; F349-V352 WeakPolarHBondContact O-CG1 3.2Å; F349-V352 PolarHBondContact O-N 3.32Å; F349-V352 VanDerWaalsContact O-N 3.15Å; V352-V355 HydrophobicContact CG2-CG2 3.54Å; V352-F382 HydrophobicContact CG1-CE1 3.99Å; V352-F382 HydrophobicContact CG1-CZ 3.52Å; V352-K447 WeakPolarHBondContact O-CD 3.23Å; V352-A499 WeakPolarHBondContact CA-O 3.37Å; V352-I501 HydrophobicContact CB-CD1 4.22Å; V352-I501 HydrophobicContact CG2-CD1 3.64Å; V352-I501 HydrophobicContact CG2-CG1 3.77Å
353Q95.6Very high92.5Very high70 Ų7042.5 Ų42.533%0.32721%0.211SC..EExtended strand (participates in β ladder)trans-111-36.8179.1-62.4-58.8-36.400112.1N351 K447 T498 A499N351-Q353 PolarHBondContact O-N 3.06Å; Q353-K447 PolarHBondContact O-N 2.81Å; Q353-T498 HydrophobicContact CG-CG2 4.07Å; Q353-A499 PolarHBondContact N-O 2.91Å
354R97.2Very high92.3Very high57 Ų5744.1 Ų44.122%0.21522%0.222CC..EExtended strand (participates in β ladder)trans-136.3133.9-174.8-61.8173.671.299.5-6.2109.2I251 L252 L444 F445 I446 S500 I501I251-R354 PolarHBondContact O-NH2 2.7Å; I251-R354 VanDerWaalsContact O-NH2 3.09Å; L252-R354 HydrophobicContact CD1-CB 4.2Å; L252-R354 PolarHBondContact O-NE 2.8Å; L252-R354 PolarHBondContact O-NH2 3.39Å; R354-L444 HydrophobicContact CB-CD1 4.28Å; R354-F445 WeakPolarHBondContact CA-O 3.33Å; R354-I446 HydrophobicContact CG-CG1 4.48Å; R354-S500 WeakPolarHBondContact O-CA 3.29Å; R354-I501 PolarHBondContact O-N 3.48Å
355V97.5Very high92Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-128.3115.6175.1-176.30000108.8L343 F347 V352 L444 F445 I501L343-V355 HydrophobicContact CD2-CG1 3.97Å; F347-V355 HydrophobicContact CD1-CG2 4.08Å; F347-V355 HydrophobicContact CE1-CB 3.99Å; F347-V355 HydrophobicContact CE1-CG2 3.62Å; F347-V355 HydrophobicContact CE2-CG1 4.4Å; F347-V355 HydrophobicContact CZ-CB 3.85Å; F347-V355 HydrophobicContact CZ-CG1 4.06Å; F347-V355 HydrophobicContact CZ-CG2 3.92Å; V352-V355 HydrophobicContact CG2-CG2 3.54Å; V355-L444 WeakPolarHBondContact O-CA 3.47Å; V355-F445 HydrophobicContact CB-CB 4.34Å; V355-F445 PolarHBondContact N-O 2.92Å; V355-F445 PolarHBondContact O-N 3.49Å; V355-I501 CarbonylContact C-O 3.53Å; V355-I501 WeakPolarHBondContact CA-O 3.48Å; V355-I501 HydrophobicContact CG1-CB 4.46Å; V355-I501 HydrophobicContact CG2-CB 4.35Å
356V97.7Very high91.8Very high0 Ų041.2 Ų41.20%021%0.209CC..EExtended strand (participates in β ladder)trans-94.5124169.3169.30000109I251 L252 I442 A443 L444 I501 V502 V503I251-V356 HydrophobicContact CG2-CG2 4.09Å; L252-V356 HydrophobicContact CB-CG2 3.75Å; L252-V356 HydrophobicContact CD1-CB 4.07Å; L252-V356 HydrophobicContact CD1-CG2 3.6Å; L252-V356 HydrophobicContact CG-CG2 4.31Å; V356-I442 HydrophobicContact CG1-CG2 3.94Å; V356-A443 WeakPolarHBondContact CA-O 3.43Å; V356-L444 HydrophobicContact CG2-CD1 3.64Å; V356-I501 PolarHBondContact N-O 3.31Å; V356-V502 WeakPolarHBondContact O-CA 3.47Å; V356-V503 PolarHBondContact O-N 3.5Å
357Y97.4Very high91.8Very high1 Ų141 Ų410%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-102.5131.2168.7177.3-120.4000109.4Q339 L343 T359 E366 V370 V371 F441 I442 A443 V503Q339-Y357 HydrophobicContact CB-CE2 4.27Å; Q339-Y357 VanDerWaalsContact CD-OH 3.29Å; Q339-Y357 HydrophobicContact CG-CE2 4.48Å; Q339-Y357 PolarHBondContact OE1-OH 3.29Å; L343-Y357 HydrophobicContact CD1-CD1 4.39Å; L343-Y357 HydrophobicContact CD1-CD2 3.62Å; L343-Y357 HydrophobicContact CD1-CE2 3.89Å; L343-Y357 HydrophobicContact CD1-CG 3.86Å; L343-Y357 HydrophobicContact CD2-CD2 4.03Å; L343-Y357 HydrophobicContact CD2-CG 4.32Å; L343-Y357 HydrophobicContact CG-CD2 4.11Å; Y357-T359 HydrophobicContact CE1-CG2 3.79Å; Y357-T359 HydrophobicContact CE2-CG2 3.93Å; Y357-T359 WeakPolarHBondContact OH-CG2 3.41Å; Y357-E366 PolarHBondContact OH-O 2.84Å; Y357-V370 HydrophobicContact CE1-CB 4.32Å; Y357-V370 HydrophobicContact CE1-CG1 4.13Å; Y357-V371 HydrophobicContact CD1-CG2 3.66Å; Y357-V371 HydrophobicContact CE1-CG2 4.1Å; Y357-F441 HydrophobicContact CD1-CD1 4.36Å; Y357-F441 HydrophobicContact CD1-CE1 4.14Å; Y357-F441 HydrophobicContact CE1-CD1 4.34Å; Y357-F441 HydrophobicContact CE1-CE1 4.3Å; Y357-I442 CarbonylContact O-C 3.56Å; Y357-I442 VanDerWaalsContact O-CA 3.3Å; Y357-I442 WeakPolarHBondContact O-CA 3.38Å; Y357-A443 PolarHBondContact N-O 3.46Å; Y357-A443 PolarHBondContact O-N 3.01Å; Y357-V503 HydrophobicContact CD2-CB 4.3Å; Y357-V503 HydrophobicContact CD2-CG1 4.28Å
358S95.2Very high91.9Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-144.9149.8173.863.90000113.3F441 V503 N504 S505S358-F441 CarbonylContact C-O 3.29Å; S358-F441 WeakPolarHBondContact CA-O 3.45Å; S358-F441 WeakPolarHBondContact CB-O 3.42Å; S358-V503 PolarHBondContact N-O 2.91Å; S358-N504 WeakPolarHBondContact O-CA 3.36Å; S358-S505 PolarHBondContact O-N 3.42Å
359T91.3Very high92Very high1 Ų135.6 Ų35.61%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-138.2150.4179.267.90000110.5Y357 S361 N367 F440 F441Y357-T359 HydrophobicContact CE1-CG2 3.79Å; Y357-T359 HydrophobicContact CE2-CG2 3.93Å; Y357-T359 WeakPolarHBondContact OH-CG2 3.41Å; T359-S361 PolarHBondContact O-N 3.22Å; T359-S361 PolarHBondContact OG1-N 3.24Å; T359-N367 PolarHBondContact OG1-OD1 2.81Å; T359-F440 VanDerWaalsContact O-CA 3.28Å; T359-F440 WeakPolarHBondContact O-CA 3.5Å; T359-F440 WeakPolarHBondContact O-CD2 3.34Å; T359-F440 WeakPolarHBondContact O-CE2 3.45Å; T359-F440 WeakPolarHBondContact O-CG 3.37Å; T359-F441 PolarHBondContact N-O 2.86Å; T359-F441 PolarHBondContact O-N 3.36Å
360C88Confident92.2Very high60 Ų6031.9 Ų31.941%0.40517%0.174SC..SBendtrans-89.142.5165.4-60.50000111.4G439 F440 N506C360-G439 CarbonylContact C-O 3.46Å; C360-G439 VanDerWaalsContact C-O 3.29Å; C360-G439 WeakPolarHBondContact CA-O 3.4Å; C360-F440 HydrophobicContact CB-CD2 4.35Å; C360-F440 VanDerWaalsContact SG-CE2 3.5Å; C360-N506 PolarHBondContact SG-OD1 3.19Å
361S82.1Confident92.4Very high8 Ų827.1 Ų27.16%0.05614%0.144CC..  trans-119.4151-175.7-170.10000111.7T359 H363 E366 N367T359-S361 PolarHBondContact O-N 3.22Å; T359-S361 PolarHBondContact OG1-N 3.24Å; S361-H363 WeakPolarHBondContact OG-CB 3.32Å; S361-H363 PolarHBondContact OG-CD2 2.95Å; S361-H363 VanDerWaalsContact OG-CD2 3.29Å; S361-H363 PolarHBondContact OG-N 2.91Å; S361-H363 VanDerWaalsContact OG-N 3.08Å; S361-E366 VanDerWaalsContact CB-OE2 3.3Å; S361-E366 WeakPolarHBondContact CB-OE2 3.45Å; S361-E366 PolarHBondContact OG-OE2 3.39Å; S361-N367 PolarHBondContact O-ND2 3.13Å
362I82Confident92.6Very high72 Ų7226.2 Ų26.237%0.36914%0.135SC..  trans-97.6-12.8167.660.7170.6000112P364 R430I362-P364 WeakPolarHBondContact O-CD 3.18Å; I362-R430 PolarHBondContact O-NH1 3.36Å; I362-R430 PolarHBondContact O-NH2 2.75Å
363H83.9Confident92.6Very high43 Ų4329.7 Ų29.720%0.19915%0.151CC..  trans-76.6120.6-168.8-63.4-64.6000111Y328 L332 S361 E365 E366 N367Y328-H363 PolarHBondContact OH-CE1 3.04Å; Y328-H363 PolarHBondContact OH-NE2 3.24Å; L332-H363 HydrophobicContact CD2-CB 4.29Å; S361-H363 WeakPolarHBondContact OG-CB 3.32Å; S361-H363 PolarHBondContact OG-CD2 2.95Å; S361-H363 VanDerWaalsContact OG-CD2 3.29Å; S361-H363 PolarHBondContact OG-N 2.91Å; S361-H363 VanDerWaalsContact OG-N 3.08Å; H363-E365 PolarHBondContact O-N 3.33Å; H363-E365 VanDerWaalsContact O-N 3.14Å; H363-E366 IonicContact CD2-OE2 2.78Å; H363-E366 PolarHBondContact O-N 2.88Å; H363-E366 VanDerWaalsContact O-N 3.13Å; H363-N367 WeakPolarHBondContact O-CB 3.19Å; H363-N367 VanDerWaalsContact O-CG 3.23Å; H363-N367 PolarHBondContact O-N 3.35Å; H363-N367 VanDerWaalsContact O-N 3.13Å; H363-N367 PolarHBondContact O-ND2 2.97Å
364P89.1Confident92.7Very high34 Ų3426.3 Ų26.322%0.22114%0.135CC..THydrogen-bonded Turntrans-53.1-30.1174.7-25.835.3000113.8I362 E366 N367 E368 S369 L419 Y423I362-P364 WeakPolarHBondContact O-CD 3.18Å; P364-E366 VanDerWaalsContact C-N 3.34Å; P364-E366 PolarHBondContact O-N 3.5Å; P364-N367 CarbonylContact O-C 3.58Å; P364-N367 PolarHBondContact O-N 3.07Å; P364-E368 WeakPolarHBondContact CA-OE2 3.41Å; P364-E368 PolarHBondContact O-N 3.12Å; P364-E368 VanDerWaalsContact O-N 3.11Å; P364-S369 WeakPolarHBondContact O-CB 3.43Å; P364-S369 PolarHBondContact O-N 2.93Å; P364-L419 HydrophobicContact CB-CD1 4.09Å; P364-L419 HydrophobicContact CG-CD1 3.81Å; P364-Y423 HydrophobicContact CB-CE2 4.04Å
365E88.9Confident92.7Very high85 Ų8524 Ų2440%0.39713%0.129SC..THydrogen-bonded Turntrans-63.6-35.1178.8-62.583.9171.700113.2S336 H363 V370S336-E365 WeakPolarHBondContact CB-O 3.48Å; H363-E365 PolarHBondContact O-N 3.33Å; H363-E365 VanDerWaalsContact O-N 3.14Å; E365-V370 WeakPolarHBondContact O-CG2 3.45Å
366E89.3Confident92.6Very high18 Ų1828.8 Ų28.88%0.08415%0.154CC..THydrogen-bonded Turntrans-89.3-20.6175-66.1-174.485.800112.1L332 Q339 Y357 S361 H363 P364 V370L332-E366 HydrophobicContact CD2-CG 4.26Å; Q339-E366 PolarHBondContact NE2-OE1 3.07Å; Q339-E366 PolarHBondContact OE1-O 2.92Å; Y357-E366 PolarHBondContact OH-O 2.84Å; S361-E366 VanDerWaalsContact CB-OE2 3.3Å; S361-E366 WeakPolarHBondContact CB-OE2 3.45Å; S361-E366 PolarHBondContact OG-OE2 3.39Å; H363-E366 IonicContact CD2-OE2 2.78Å; H363-E366 PolarHBondContact O-N 2.88Å; H363-E366 VanDerWaalsContact O-N 3.13Å; P364-E366 VanDerWaalsContact C-N 3.34Å; P364-E366 PolarHBondContact O-N 3.5Å; E366-V370 WeakPolarHBondContact O-CG2 3.42Å
367N93.8Very high92.6Very high0 Ų034.1 Ų34.10%018%0.175CC..THydrogen-bonded Turntrans-100.4-94.6-171.5-66.2-10.1000110.2T359 S361 H363 P364 S369 V370 V371 F441T359-N367 PolarHBondContact OG1-OD1 2.81Å; S361-N367 PolarHBondContact O-ND2 3.13Å; H363-N367 WeakPolarHBondContact O-CB 3.19Å; H363-N367 VanDerWaalsContact O-CG 3.23Å; H363-N367 PolarHBondContact O-N 3.35Å; H363-N367 VanDerWaalsContact O-N 3.13Å; H363-N367 PolarHBondContact O-ND2 2.97Å; P364-N367 CarbonylContact O-C 3.58Å; P364-N367 PolarHBondContact O-N 3.07Å; N367-S369 PolarHBondContact O-N 3.25Å; N367-V370 PolarHBondContact O-N 2.93Å; N367-V371 PolarHBondContact O-N 3.31Å; N367-F441 HydrophobicContact CB-CB 4.06Å; N367-F441 HydrophobicContact CB-CD1 3.78Å; N367-F441 HydrophobicContact CB-CD2 3.88Å; N367-F441 HydrophobicContact CB-CE1 4.14Å; N367-F441 HydrophobicContact CB-CE2 4.22Å; N367-F441 HydrophobicContact CB-CG 3.63Å; N367-F441 HydrophobicContact CB-CZ 4.34Å; N367-F441 VanDerWaalsContact CG-CB 3.45Å; N367-F441 WeakPolarHBondContact ND2-CB 3.5Å
368E96.1Very high92.6Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-67.1-34.4-173.9-71.386.716900113.8P364 V370 V371 R372 G418 L419 Y423 C425 R430 F441P364-E368 WeakPolarHBondContact CA-OE2 3.41Å; P364-E368 PolarHBondContact O-N 3.12Å; P364-E368 VanDerWaalsContact O-N 3.11Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 PolarHBondContact O-N 3.29Å; E368-V371 PolarHBondContact O-N 2.94Å; E368-R372 WeakPolarHBondContact O-CB 3.42Å; E368-R372 PolarHBondContact O-N 3.47Å; E368-G418 WeakPolarHBondContact OE1-CA 3.3Å; E368-L419 HydrophobicContact CG-CB 4.17Å; E368-L419 WeakPolarHBondContact OE1-CG 3.23Å; E368-L419 PolarHBondContact OE1-N 2.82Å; E368-Y423 VanDerWaalsContact CB-CB 3.46Å; E368-Y423 HydrophobicContact CB-CD1 3.65Å; E368-Y423 HydrophobicContact CB-CD2 3.68Å; E368-Y423 HydrophobicContact CB-CE1 4.25Å; E368-Y423 HydrophobicContact CB-CE2 4.26Å; E368-Y423 HydrophobicContact CB-CG 3.33Å; E368-Y423 HydrophobicContact CG-CD2 4.19Å; E368-Y423 HydrophobicContact CG-CG 4.14Å; E368-C425 HydrophobicContact CB-CB 4.3Å; E368-C425 HydrophobicContact CG-CB 3.48Å; E368-C425 VanDerWaalsContact CG-CB 3.48Å; E368-R430 IonicContact OE1-CZ 3.42Å; E368-R430 VanDerWaalsContact OE1-CZ 3.26Å; E368-R430 IonicContact OE1-NE 3.63Å; E368-R430 PolarHBondContact OE1-NE 2.97Å; E368-R430 IonicContact OE1-NH2 3.8Å; E368-R430 PolarHBondContact OE1-NH2 3.37Å; E368-R430 VanDerWaalsContact OE1-NH2 3.11Å; E368-R430 IonicContact OE2-CZ 3.21Å; E368-R430 IonicContact OE2-NE 3.21Å; E368-R430 IonicContact OE2-NH2 2.65Å; E368-R430 PolarHBondContact OE2-NH2 2.72Å; E368-F441 HydrophobicContact CG-CE2 4.11Å; E368-F441 HydrophobicContact CG-CZ 4.36Å
369S95.2Very high92.6Very high50 Ų5037.8 Ų37.835%0.3520%0.201SC..Hα-helixtrans-61.5-43.6177.4-170.90000110.7P364 N367 E373P364-S369 WeakPolarHBondContact O-CB 3.43Å; P364-S369 PolarHBondContact O-N 2.93Å; N367-S369 PolarHBondContact O-N 3.25Å; S369-E373 WeakPolarHBondContact O-CB 3.42Å; S369-E373 PolarHBondContact O-N 3.09Å; S369-E373 VanDerWaalsContact O-N 3.09Å
370V96Very high92.8Very high2 Ų242.8 Ų42.81%0.01223%0.227CC..Hα-helixtrans-65.7-48.9175.9175.50000110.2Q339 A340 L343 Y357 E365 E366 N367 E368 R372 E373 I374Q339-V370 HydrophobicContact CB-CG1 4.18Å; Q339-V370 HydrophobicContact CB-CG2 4.25Å; A340-V370 HydrophobicContact CB-CG1 4.38Å; L343-V370 HydrophobicContact CD1-CG1 3.64Å; Y357-V370 HydrophobicContact CE1-CB 4.32Å; Y357-V370 HydrophobicContact CE1-CG1 4.13Å; E365-V370 WeakPolarHBondContact O-CG2 3.45Å; E366-V370 WeakPolarHBondContact O-CG2 3.42Å; N367-V370 PolarHBondContact O-N 2.93Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 PolarHBondContact O-N 3.29Å; V370-R372 VanDerWaalsContact C-N 3.31Å; V370-R372 PolarHBondContact O-N 3.42Å; V370-E373 PolarHBondContact O-N 3.19Å; V370-I374 HydrophobicContact CG1-CG1 4.28Å; V370-I374 WeakPolarHBondContact O-CB 3.29Å; V370-I374 VanDerWaalsContact O-CG1 3.23Å; V370-I374 WeakPolarHBondContact O-CG1 3.47Å; V370-I374 PolarHBondContact O-N 3.33Å
371V97.2Very high93.2Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-60.7-41.2179.9168.30000112Y357 N367 E368 I374 A375 L384 F441 A443 F445Y357-V371 HydrophobicContact CD1-CG2 3.66Å; Y357-V371 HydrophobicContact CE1-CG2 4.1Å; N367-V371 PolarHBondContact O-N 3.31Å; E368-V371 PolarHBondContact O-N 2.94Å; V371-I374 PolarHBondContact O-N 3.37Å; V371-A375 WeakPolarHBondContact O-CB 3.33Å; V371-A375 PolarHBondContact O-N 2.97Å; V371-L384 HydrophobicContact CG1-CD1 3.99Å; V371-L384 HydrophobicContact CG1-CD2 4.02Å; V371-F441 HydrophobicContact CB-CE1 4.5Å; V371-F441 HydrophobicContact CB-CZ 4.44Å; V371-F441 HydrophobicContact CG2-CE1 3.49Å; V371-F441 VanDerWaalsContact CG2-CE1 3.49Å; V371-F441 HydrophobicContact CG2-CZ 3.84Å; V371-A443 HydrophobicContact CG1-CB 4.25Å; V371-A443 HydrophobicContact CG2-CB 3.68Å; V371-F445 HydrophobicContact CG1-CZ 3.99Å
372R96Very high93.9Very high50 Ų5045.7 Ų45.719%0.18923%0.232CC..Hα-helixtrans-66-45.3179.6179.571.6-65.3131.9-14111.6E368 V370 I374 A375 N376 Y423 Q424E368-R372 WeakPolarHBondContact O-CB 3.42Å; E368-R372 PolarHBondContact O-N 3.47Å; V370-R372 VanDerWaalsContact C-N 3.31Å; V370-R372 PolarHBondContact O-N 3.42Å; R372-I374 VanDerWaalsContact C-N 3.31Å; R372-I374 PolarHBondContact O-N 3.43Å; R372-A375 PolarHBondContact O-N 2.92Å; R372-N376 PolarHBondContact NE-OD1 3.24Å; R372-N376 VanDerWaalsContact NE-OD1 3.15Å; R372-N376 VanDerWaalsContact O-CG 3.24Å; R372-N376 PolarHBondContact O-N 2.79Å; R372-N376 VanDerWaalsContact O-N 3.12Å; R372-N376 PolarHBondContact O-OD1 3.41Å; R372-Y423 WeakPolarHBondContact CD-O 3.09Å; R372-Y423 PolarHBondContact NH1-O 2.92Å; R372-Q424 PolarHBondContact NH1-O 2.9Å
373E96.1Very high94.6Very high72 Ų7246 Ų4634%0.33623%0.229SC..Hα-helixtrans-56.2-49174.1-177.5-173.1149.400110.7K344 S369 V370 N376 Y377K344-E373 VanDerWaalsContact CE-OE1 3.27Å; K344-E373 WeakPolarHBondContact CE-OE1 3.46Å; K344-E373 IonicContact NZ-OE1 3.32Å; K344-E373 PolarHBondContact NZ-OE1 2.96Å; S369-E373 WeakPolarHBondContact O-CB 3.42Å; S369-E373 PolarHBondContact O-N 3.09Å; S369-E373 VanDerWaalsContact O-N 3.09Å; V370-E373 PolarHBondContact O-N 3.19Å; E373-N376 PolarHBondContact O-N 3.2Å; E373-Y377 WeakPolarHBondContact O-CB 3.17Å; E373-Y377 PolarHBondContact O-N 3.3Å
374I97.4Very high95.2Very high0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-66.8-45-177.5-68-60.2000111.5A340 L343 K344 F347 V370 V371 R372 N376 Y377 V378 F445A340-I374 HydrophobicContact CB-CD1 4.34Å; L343-I374 HydrophobicContact CB-CD1 3.68Å; L343-I374 HydrophobicContact CB-CG1 3.88Å; L343-I374 HydrophobicContact CB-CG2 4.41Å; L343-I374 HydrophobicContact CD1-CD1 4.44Å; L343-I374 HydrophobicContact CD1-CG1 3.75Å; L343-I374 HydrophobicContact CG-CG1 4.48Å; K344-I374 HydrophobicContact CG-CD1 3.66Å; F347-I374 HydrophobicContact CD2-CG2 4.13Å; F347-I374 HydrophobicContact CE2-CG2 3.4Å; F347-I374 HydrophobicContact CZ-CG2 4.05Å; V370-I374 HydrophobicContact CG1-CG1 4.28Å; V370-I374 WeakPolarHBondContact O-CB 3.29Å; V370-I374 VanDerWaalsContact O-CG1 3.23Å; V370-I374 WeakPolarHBondContact O-CG1 3.47Å; V370-I374 PolarHBondContact O-N 3.33Å; V371-I374 PolarHBondContact O-N 3.37Å; R372-I374 VanDerWaalsContact C-N 3.31Å; R372-I374 PolarHBondContact O-N 3.43Å; I374-N376 PolarHBondContact O-N 3.34Å; I374-Y377 WeakPolarHBondContact O-CA 3.48Å; I374-Y377 WeakPolarHBondContact O-CB 3.45Å; I374-Y377 PolarHBondContact O-N 2.91Å; I374-V378 WeakPolarHBondContact O-CG2 3.23Å; I374-V378 PolarHBondContact O-N 3.42Å; I374-F445 HydrophobicContact CB-CZ 4.27Å; I374-F445 HydrophobicContact CG2-CE1 4.25Å; I374-F445 HydrophobicContact CG2-CE2 4.03Å; I374-F445 HydrophobicContact CG2-CZ 3.77Å
375A96.5Very high95.5Very high9 Ų946.5 Ų46.57%0.07423%0.23CC..Hα-helixtrans-59.4-35.9178.700000112.5V371 R372 S379 F445V371-A375 WeakPolarHBondContact O-CB 3.33Å; V371-A375 PolarHBondContact O-N 2.97Å; R372-A375 PolarHBondContact O-N 2.92Å; A375-S379 WeakPolarHBondContact O-CB 3.45Å; A375-S379 PolarHBondContact O-N 2.95Å; A375-F445 HydrophobicContact CB-CE1 3.73Å; A375-F445 HydrophobicContact CB-CZ 4.16Å
376N95.9Very high95.7Very high99 Ų9945 Ų4553%0.52923%0.226SC..Hα-helixtrans-72.6-36.7173.3-64.2-2.6000111.8R372 E373 I374 V378 S379R372-N376 PolarHBondContact NE-OD1 3.24Å; R372-N376 VanDerWaalsContact NE-OD1 3.15Å; R372-N376 VanDerWaalsContact O-CG 3.24Å; R372-N376 PolarHBondContact O-N 2.79Å; R372-N376 VanDerWaalsContact O-N 3.12Å; R372-N376 PolarHBondContact O-OD1 3.41Å; E373-N376 PolarHBondContact O-N 3.2Å; I374-N376 PolarHBondContact O-N 3.34Å; N376-V378 VanDerWaalsContact C-N 3.33Å; N376-V378 PolarHBondContact O-N 3.49Å; N376-S379 PolarHBondContact O-OG 3.34Å
377Y97.1Very high95.9Very high112 Ų11244.4 Ų44.444%0.43922%0.223SC..Hα-helixtrans-67.4-30178.5174.6-100.2000113.3K344 E373 I374K344-Y377 HydrophobicContact CB-CE1 4.02Å; K344-Y377 HydrophobicContact CD-CD1 4.49Å; K344-Y377 HydrophobicContact CD-CE1 4.45Å; K344-Y377 HydrophobicContact CD-CE2 4.45Å; K344-Y377 HydrophobicContact CG-CD1 3.75Å; K344-Y377 HydrophobicContact CG-CE1 3.7Å; K344-Y377 HydrophobicContact CG-CG 4.25Å; E373-Y377 WeakPolarHBondContact O-CB 3.17Å; E373-Y377 PolarHBondContact O-N 3.3Å; I374-Y377 WeakPolarHBondContact O-CA 3.48Å; I374-Y377 WeakPolarHBondContact O-CB 3.45Å; I374-Y377 PolarHBondContact O-N 2.91Å
378V96.7Very high95.6Very high5 Ų546.7 Ų46.73%0.0323%0.232CC..THydrogen-bonded Turntrans-111.19.6-176.2-53.50000114.5F347 I374 N376 D380 K381 F382 F445F347-V378 HydrophobicContact CB-CG1 3.97Å; F347-V378 HydrophobicContact CD1-CB 4.46Å; F347-V378 HydrophobicContact CD1-CG1 3.94Å; F347-V378 HydrophobicContact CD2-CG1 3.65Å; F347-V378 HydrophobicContact CE1-CG1 4.34Å; F347-V378 HydrophobicContact CE1-CG2 4.32Å; F347-V378 HydrophobicContact CE2-CG1 4.15Å; F347-V378 HydrophobicContact CG-CG1 3.58Å; F347-V378 HydrophobicContact CZ-CG1 4.45Å; F347-V378 HydrophobicContact CZ-CG2 4.4Å; I374-V378 WeakPolarHBondContact O-CG2 3.23Å; I374-V378 PolarHBondContact O-N 3.42Å; N376-V378 VanDerWaalsContact C-N 3.33Å; N376-V378 PolarHBondContact O-N 3.49Å; V378-D380 PolarHBondContact O-N 2.92Å; V378-K381 PolarHBondContact O-N 3.1Å; V378-F382 HydrophobicContact CB-CB 4.15Å; V378-F382 HydrophobicContact CB-CD2 4.1Å; V378-F382 HydrophobicContact CG2-CB 3.69Å; V378-F382 HydrophobicContact CG2-CG 4.42Å; V378-F382 PolarHBondContact O-N 3.43Å; V378-F382 VanDerWaalsContact O-O 3.14Å; V378-F445 HydrophobicContact CG2-CD1 4.14Å; V378-F445 HydrophobicContact CG2-CE1 4.32Å
379S95.5Very high94.8Very high74 Ų7447.9 Ų47.952%0.51724%0.24SC..THydrogen-bonded Turntrans-61-19-170.358.30000114.6A375 N376A375-S379 WeakPolarHBondContact O-CB 3.45Å; A375-S379 PolarHBondContact O-N 2.95Å; N376-S379 PolarHBondContact O-OG 3.34Å
380D95.9Very high93.9Very high106 Ų10649.6 Ų49.657%0.56724%0.239SC*.THydrogen-bonded Turntrans-75.6-24.5175.765.3-44.2000113.1V378V378-D380 PolarHBondContact O-N 2.92Å
381K96Very high92.5Very high120 Ų12054.6 Ų54.652%0.52227%0.265SS..THydrogen-bonded Turntrans-126.2-26.7-170.1-74.7165.4-172.6165.50114.2V378 K447 Y448V378-K381 PolarHBondContact O-N 3.1Å; K381-K447 CarbonylContact O-C 3.54Å; K381-K447 WeakPolarHBondContact O-CA 3.46Å; K381-Y448 WeakPolarHBondContact O-CD2 3.34Å; K381-Y448 PolarHBondContact O-N 3.33Å
382F97.4Very high90.7Very high8 Ų857 Ų574%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-134.6150.2-176.5-62-103.5000110.1F347 V352 V378 F445 I446 K447F347-F382 AromaticContact CD1-CD1 3.92Å; F347-F382 HydrophobicContact CD1-CD1 3.92Å; F347-F382 AromaticContact CD1-CD2 3.67Å; F347-F382 HydrophobicContact CD1-CD2 3.67Å; F347-F382 AromaticContact CD1-CE1 3.92Å; F347-F382 HydrophobicContact CD1-CE1 3.92Å; F347-F382 AromaticContact CD1-CE2 3.7Å; F347-F382 HydrophobicContact CD1-CE2 3.7Å; F347-F382 AromaticContact CD1-CG 3.83Å; F347-F382 HydrophobicContact CD1-CG 3.83Å; F347-F382 AromaticContact CD1-CZ 3.85Å; F347-F382 HydrophobicContact CD1-CZ 3.85Å; F347-F382 HydrophobicContact CE1-CB 4.23Å; F347-F382 AromaticContact CE1-CD1 3.67Å; F347-F382 HydrophobicContact CE1-CD1 3.67Å; F347-F382 HydrophobicContact CE1-CD2 4.06Å; F347-F382 HydrophobicContact CE1-CE1 4.02Å; F347-F382 HydrophobicContact CE1-CE2 4.41Å; F347-F382 AromaticContact CE1-CG 3.72Å; F347-F382 HydrophobicContact CE1-CG 3.72Å; F347-F382 HydrophobicContact CE1-CZ 4.41Å; V352-F382 HydrophobicContact CG1-CE1 3.99Å; V352-F382 HydrophobicContact CG1-CZ 3.52Å; V378-F382 HydrophobicContact CB-CB 4.15Å; V378-F382 HydrophobicContact CB-CD2 4.1Å; V378-F382 HydrophobicContact CG2-CB 3.69Å; V378-F382 HydrophobicContact CG2-CG 4.42Å; V378-F382 PolarHBondContact O-N 3.43Å; V378-F382 VanDerWaalsContact O-O 3.14Å; F382-F445 HydrophobicContact CB-CB 4.45Å; F382-I446 VanDerWaalsContact CA-O 3.23Å; F382-I446 WeakPolarHBondContact CA-O 3.45Å; F382-K447 VanDerWaalsContact CD1-CA 3.44Å; F382-K447 HydrophobicContact CD1-CB 3.8Å; F382-K447 HydrophobicContact CD1-CG 4.4Å; F382-K447 VanDerWaalsContact CD1-N 3.3Å; F382-K447 HydrophobicContact CE1-CB 3.44Å; F382-K447 VanDerWaalsContact CE1-CB 3.44Å; F382-K447 HydrophobicContact CE1-CD 4.22Å; F382-K447 HydrophobicContact CE1-CG 3.92Å; F382-K447 HydrophobicContact CE2-CG 4.34Å; F382-K447 HydrophobicContact CZ-CB 3.92Å; F382-K447 HydrophobicContact CZ-CD 3.85Å; F382-K447 HydrophobicContact CZ-CG 3.85Å
383Y96.2Very high88.7Confident78 Ų7860.4 Ų60.431%0.30631%0.312SS..EExtended strand (participates in β ladder)trans-121.7154.2172.168.9-83000110.5E385 F445 I446 Y448Y383-E385 HydrophobicContact CE2-CB 4.16Å; Y383-E385 WeakPolarHBondContact CE2-OE2 3.47Å; Y383-E385 VanDerWaalsContact CZ-OE2 3.28Å; Y383-E385 PolarHBondContact O-N 2.99Å; Y383-E385 PolarHBondContact OH-OE2 3.37Å; Y383-F445 WeakPolarHBondContact O-CA 3.47Å; Y383-I446 HydrophobicContact CD1-CB 4.43Å; Y383-I446 VanDerWaalsContact CD1-O 3.25Å; Y383-I446 WeakPolarHBondContact CD1-O 3.37Å; Y383-I446 HydrophobicContact CE1-CB 3.75Å; Y383-I446 HydrophobicContact CE1-CG2 3.83Å; Y383-I446 HydrophobicContact CE2-CB 4.49Å; Y383-I446 PolarHBondContact N-O 3.22Å; Y383-I446 PolarHBondContact O-N 2.86Å; Y383-Y448 AromaticContact CD1-CD1 3.75Å; Y383-Y448 HydrophobicContact CD1-CD1 3.75Å; Y383-Y448 AromaticContact CD1-CE1 3.58Å; Y383-Y448 HydrophobicContact CD1-CE1 3.58Å; Y383-Y448 HydrophobicContact CD1-CG 4.4Å; Y383-Y448 HydrophobicContact CE1-CD1 4.34Å; Y383-Y448 HydrophobicContact CE1-CE1 4.47Å; Y383-Y448 HydrophobicContact CG-CE1 4.04Å
384L96.7Very high86.2Confident30 Ų3061.6 Ų61.616%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-78.5112.7174.3-176.866000108.6V371 A443 F445V371-L384 HydrophobicContact CG1-CD1 3.99Å; V371-L384 HydrophobicContact CG1-CD2 4.02Å; L384-A443 HydrophobicContact CD1-CB 4Å; L384-F445 HydrophobicContact CB-CE1 4.25Å; L384-F445 HydrophobicContact CD1-CD1 4.41Å; L384-F445 HydrophobicContact CD1-CE1 4.03Å; L384-F445 HydrophobicContact CD1-CE2 4.28Å; L384-F445 HydrophobicContact CD1-CZ 3.97Å
385E95.3Very high83.6Confident59 Ų5965 Ų6528%0.27635%0.352SS..EExtended strand (participates in β ladder)trans-81.7141.8-178.4179.762.6-116.500110.7Y383 I387 L444 I446Y383-E385 HydrophobicContact CE2-CB 4.16Å; Y383-E385 WeakPolarHBondContact CE2-OE2 3.47Å; Y383-E385 VanDerWaalsContact CZ-OE2 3.28Å; Y383-E385 PolarHBondContact O-N 2.99Å; Y383-E385 PolarHBondContact OH-OE2 3.37Å; E385-I387 PolarHBondContact O-N 3.01Å; E385-I387 VanDerWaalsContact O-N 3.09Å; E385-L444 HydrophobicContact CB-CB 4.38Å; E385-L444 HydrophobicContact CB-CD2 4.01Å; E385-L444 HydrophobicContact CB-CG 4.1Å; E385-L444 HydrophobicContact CG-CD2 3.98Å; E385-L444 PolarHBondContact N-O 3.44Å; E385-I446 HydrophobicContact CB-CD1 3.82Å; E385-I446 HydrophobicContact CB-CG1 3.96Å; E385-I446 HydrophobicContact CG-CD1 3.67Å; E385-I446 HydrophobicContact CG-CG1 4.38Å
386T94.2Very high80.9Confident52 Ų5269.7 Ų69.732%0.31938%0.384SS..  trans-77.2102.1174.2-63.90000109.8Y390 S427T386-Y390 HydrophobicContact CG2-CD1 3.78Å; T386-Y390 HydrophobicContact CG2-CE1 3.45Å; T386-Y390 VanDerWaalsContact CG2-CE1 3.45Å; T386-S427 PolarHBondContact OG1-OG 3.18Å
387I92.6Very high78Confident6 Ų669.6 Ų69.63%0.03139%0.391CS..  trans-84.1137.9-177.749.7160.1000111.8I251 E385 R417 S427 I429 I442 L444I251-I387 HydrophobicContact CD1-CB 4.35Å; I251-I387 HydrophobicContact CD1-CD1 3.79Å; I251-I387 HydrophobicContact CG2-CB 4.09Å; I251-I387 HydrophobicContact CG2-CG2 3.46Å; I251-I387 VanDerWaalsContact CG2-CG2 3.46Å; E385-I387 PolarHBondContact O-N 3.01Å; E385-I387 VanDerWaalsContact O-N 3.09Å; I387-R417 PolarHBondContact O-NH1 3.42Å; I387-R417 VanDerWaalsContact O-NH1 3.08Å; I387-R417 PolarHBondContact O-NH2 3.01Å; I387-S427 WeakPolarHBondContact CG1-O 3.21Å; I387-S427 PolarHBondContact N-O 2.87Å; I387-S427 VanDerWaalsContact N-O 3.08Å; I387-I429 HydrophobicContact CD1-CB 3.98Å; I387-I429 HydrophobicContact CD1-CD1 3.77Å; I387-I429 HydrophobicContact CD1-CG1 3.65Å; I387-I429 HydrophobicContact CG1-CD1 4.23Å; I387-I429 HydrophobicContact CG1-CG1 4.02Å; I387-I442 HydrophobicContact CD1-CB 3.93Å; I387-I442 HydrophobicContact CD1-CG2 3.92Å; I387-I442 WeakPolarHBondContact CD1-O 3.49Å; I387-L444 HydrophobicContact CG2-CB 3.29Å; I387-L444 HydrophobicContact CG2-CD2 3.71Å; I387-L444 HydrophobicContact CG2-CG 4.13Å
388W86.9Confident74.8Confident49 Ų4970.4 Ų70.419%0.18641%0.408CS..SBendtrans62138.9176-148.3-83000114.4H213 L214 F247 I251 Y390 P412 W414 R417 I429H213-W388 HydrophobicContact CB-CZ2 4.13Å; L214-W388 HydrophobicContact CD2-CH2 3.73Å; L214-W388 HydrophobicContact CD2-CZ3 4.5Å; F247-W388 HydrophobicContact CD1-CD2 4.23Å; F247-W388 AromaticContact CD1-CE3 3.7Å; F247-W388 HydrophobicContact CD1-CE3 3.7Å; F247-W388 AromaticContact CD1-CH2 3.93Å; F247-W388 HydrophobicContact CD1-CH2 3.93Å; F247-W388 HydrophobicContact CD1-CZ2 4.42Å; F247-W388 AromaticContact CD1-CZ3 3.53Å; F247-W388 HydrophobicContact CD1-CZ3 3.53Å; F247-W388 AromaticContact CE1-CD2 3.9Å; F247-W388 HydrophobicContact CE1-CD2 3.9Å; F247-W388 AromaticContact CE1-CE2 3.8Å; F247-W388 AromaticContact CE1-CE3 3.79Å; F247-W388 HydrophobicContact CE1-CE3 3.79Å; F247-W388 AromaticContact CE1-CH2 3.57Å; F247-W388 HydrophobicContact CE1-CH2 3.57Å; F247-W388 AromaticContact CE1-CZ2 3.66Å; F247-W388 HydrophobicContact CE1-CZ2 3.66Å; F247-W388 AromaticContact CE1-CZ3 3.63Å; F247-W388 HydrophobicContact CE1-CZ3 3.63Å; I251-W388 HydrophobicContact CG1-CE3 4.18Å; W388-Y390 PolarHBondContact O-N 3.31Å; W388-P412 PolarHBondContact NE1-O 3.4Å; W388-W414 HydrophobicContact CG-CB 4.26Å; W388-R417 PolarHBondContact O-NH1 2.94Å; W388-I429 HydrophobicContact CB-CD1 3.59Å; W388-I429 HydrophobicContact CB-CG1 4.43Å; W388-I429 HydrophobicContact CG-CD1 4.2Å
389P79.8Confident71.7Confident24 Ų2476.4 Ų76.416%0.15645%0.45CS..  trans-55.5137.5-178.6-23.629.1000113.4T411 I413 W414P389-T411 VanDerWaalsContact CG-OG1 3.28Å; P389-T411 WeakPolarHBondContact CG-OG1 3.44Å; P389-I413 HydrophobicContact CB-CG1 4.48Å; P389-I413 WeakPolarHBondContact O-CA 3.4Å; P389-W414 PolarHBondContact O-N 3.33Å; P389-W414 VanDerWaalsContact O-N 3.16Å
390Y75.8Confident68.7Low86 Ų8677.2 Ų77.234%0.33746%0.456SS..  trans-142.7165.6175.581.1-64000112.3T386 W388 P392T386-Y390 HydrophobicContact CG2-CD1 3.78Å; T386-Y390 HydrophobicContact CG2-CE1 3.45Å; T386-Y390 VanDerWaalsContact CG2-CE1 3.45Å; W388-Y390 PolarHBondContact O-N 3.31Å; Y390-P392 HydrophobicContact CE2-CB 4.19Å; Y390-P392 HydrophobicContact CE2-CG 4.01Å
391I67.1Low65.7Low107 Ų10778.8 Ų78.855%0.54947%0.469SS..  trans-103.2118.5171.8-60.5168.5000107.1S393 S395 I413I391-S393 PolarHBondContact O-N 2.98Å; I391-S395 WeakPolarHBondContact CG2-OG 3.33Å; I391-I413 HydrophobicContact CD1-CD1 3.75Å; I391-I413 HydrophobicContact CG1-CD1 3.77Å
392P60.5Low62.6Low50 Ų5079 Ų7933%0.32548%0.481SS..  trans-60.7134.7172.7-21.131.9000110.8Y390 S394 S395Y390-P392 HydrophobicContact CE2-CB 4.19Å; Y390-P392 HydrophobicContact CE2-CG 4.01Å; P392-S394 PolarHBondContact O-N 3.33Å; P392-S394 VanDerWaalsContact O-N 3.12Å; P392-S395 PolarHBondContact O-N 2.99Å; P392-S395 PolarHBondContact O-OG 2.79Å
393S52.6Low59.5Low122 Ų12286.6 Ų86.685%0.85352%0.522SS*.G310 helixtrans-58.3-22.9177.633.50000113.7I391I391-S393 PolarHBondContact O-N 2.98Å
394S45.2Very low56.8Low98 Ų9887.3 Ų87.369%0.68554%0.539SS*.G310 helixtrans-82-917753.10000114.9P392 S396P392-S394 PolarHBondContact O-N 3.33Å; P392-S394 VanDerWaalsContact O-N 3.12Å; S394-S396 VanDerWaalsContact C-N 3.26Å; S394-S396 PolarHBondContact O-N 3.42Å
395S40.9Very low54.1Low72 Ų7293.7 Ų93.750%0.50357%0.569SS.*G310 helixtrans-83.511-174.660.60000115.1I391 P392I391-S395 WeakPolarHBondContact CG2-OG 3.33Å; P392-S395 PolarHBondContact O-N 2.99Å; P392-S395 PolarHBondContact O-OG 2.79Å
396S41.1Very low51.1Low107 Ų107100.4 Ų100.475%0.74860%0.603SS**G310 helixtrans-79.6-9.6173.148.50000114.9S394S394-S396 VanDerWaalsContact C-N 3.26Å; S394-S396 PolarHBondContact O-N 3.42Å
397S33.6Very low48.8Very low97 Ų97103.2 Ų103.268%0.67861%0.613SS**SBendtrans-157.189.6174.8-64.70000112.1
398T29.9Very low46.5Very low128 Ų128107.8 Ų107.879%0.78564%0.637SS**  trans162.3117.2137.733.90000110.8S400T398-S400 PolarHBondContact O-N 3.04Å; T398-S400 VanDerWaalsContact O-N 3.1Å
399S32.4Very low44.8Very low131 Ų131112.4 Ų112.492%0.91667%0.67SS**  trans-61.599165.4420000110.4
400S31.9Very low44.1Very low91 Ų91115.2 Ų115.264%0.63669%0.687SS**  trans-142.2120.6160.860.20000110.6T398 T402T398-S400 PolarHBondContact O-N 3.04Å; T398-S400 VanDerWaalsContact O-N 3.1Å; S400-T402 PolarHBondContact O-N 3.38Å; S400-T402 VanDerWaalsContact O-N 3.15Å
401T34.7Very low43.9Very low139 Ų139113.9 Ų113.985%0.85369%0.688SS**  trans-62.9102.6-175.5-46.60000110.4
402T29.5Very low44.8Very low124 Ų124109.3 Ų109.376%0.76167%0.665SS**  trans-128.2130.3160.254.50000109.1S400 S404S400-T402 PolarHBondContact O-N 3.38Å; S400-T402 VanDerWaalsContact O-N 3.15Å; T402-S404 VanDerWaalsContact C-N 3.31Å; T402-S404 PolarHBondContact O-N 3.36Å
403N32.9Very low46.1Very low169 Ų169110.2 Ų110.290%0.90467%0.667SS**  trans-59.581.9-176.1-71-30.2000111.6
404S38.4Very low47.9Very low93 Ų93104.5 Ų104.565%0.6563%0.626SS**  trans-82.9129.2162.8-165.20000107.9T402T402-S404 VanDerWaalsContact C-N 3.31Å; T402-S404 PolarHBondContact O-N 3.36Å
405M40.4Very low49.9Very low164 Ų164108 Ų10881%0.80863%0.629SS**  trans-35.2139.6-179.9-71.6177.9160.800112.4H407M405-H407 PolarHBondContact O-CD2 2.72Å; M405-H407 PolarHBondContact O-N 2.85Å
406M32.6Very low52.3Low199 Ų199107.6 Ų107.698%0.9862%0.619SS**  trans-54.189.9172.8-67.3-159.1114.300109.5D408M406-D408 PolarHBondContact O-N 3.19Å
407H45.3Very low54.8Low112 Ų112104.2 Ų104.252%0.51959%0.59SS.*  trans-65.1119.4168.5-72.1-70000105.4M405 V409M405-H407 PolarHBondContact O-CD2 2.72Å; M405-H407 PolarHBondContact O-N 2.85Å; H407-V409 PolarHBondContact O-N 3.48Å
408D44.6Very low57.5Low101 Ų10199.9 Ų99.954%0.5456%0.561SS.*  trans-51.9107.5167.3-174.7-6.5000107.3M406 T410 T411M406-D408 PolarHBondContact O-N 3.19Å; D408-T410 PolarHBondContact O-N 3.11Å; D408-T410 WeakPolarHBondContact OD1-CB 3.31Å; D408-T410 WeakPolarHBondContact OD1-CG2 3.45Å; D408-T410 PolarHBondContact OD1-N 2.7Å; D408-T410 PolarHBondContact OD1-OG1 3.4Å; D408-T410 PolarHBondContact OD2-OG1 2.91Å; D408-T410 VanDerWaalsContact OD2-OG1 3.05Å; D408-T411 PolarHBondContact O-N 2.94Å; D408-T411 PolarHBondContact O-OG1 3.44Å
409V51.5Low60.4Low147 Ų14797.4 Ų97.489%0.89154%0.542SS*.THydrogen-bonded Turntrans-55.3-13.5-174178.80000111.2H407H407-V409 PolarHBondContact O-N 3.48Å
410T65.1Low62.9Low82 Ų8293.5 Ų93.550%0.50352%0.515SS..THydrogen-bonded Turntrans-79.2-20.9179.969.20000114.9R188 D408R188-T410 PolarHBondContact NH1-O 2.8Å; D408-T410 PolarHBondContact O-N 3.11Å; D408-T410 WeakPolarHBondContact OD1-CB 3.31Å; D408-T410 WeakPolarHBondContact OD1-CG2 3.45Å; D408-T410 PolarHBondContact OD1-N 2.7Å; D408-T410 PolarHBondContact OD1-OG1 3.4Å; D408-T410 PolarHBondContact OD2-OG1 2.91Å; D408-T410 VanDerWaalsContact OD2-OG1 3.05Å
411T73Confident65.1Low59 Ų5997.4 Ų97.436%0.36253%0.529SS..SBendtrans-81.7121.1-174.952.10000111.9P389 D408P389-T411 VanDerWaalsContact CG-OG1 3.28Å; P389-T411 WeakPolarHBondContact CG-OG1 3.44Å; D408-T411 PolarHBondContact O-N 2.94Å; D408-T411 PolarHBondContact O-OG1 3.44Å
412P84.6Confident67.4Low11 Ų1197.2 Ų97.27%0.07152%0.522CS..PPolyproline II helixtrans-74.5138.2-173.226.1-31000112.5Y212 H213 W388Y212-P412 HydrophobicContact CD1-CB 3.81Å; Y212-P412 HydrophobicContact CD1-CG 4.25Å; Y212-P412 HydrophobicContact CE1-CB 3.42Å; Y212-P412 VanDerWaalsContact CE1-CB 3.42Å; Y212-P412 HydrophobicContact CE1-CG 4.31Å; H213-P412 HydrophobicContact CB-CG 4.22Å; W388-P412 PolarHBondContact NE1-O 3.4Å
413I87.9Confident70.2Confident68 Ų6893.3 Ų93.335%0.34949%0.493SS..PPolyproline II helixtrans-65.7134.3-179.8-68.5154.6000112.4P389 I391 K415P389-I413 HydrophobicContact CB-CG1 4.48Å; P389-I413 WeakPolarHBondContact O-CA 3.4Å; I391-I413 HydrophobicContact CD1-CD1 3.75Å; I391-I413 HydrophobicContact CG1-CD1 3.77Å; I413-K415 HydrophobicContact CG2-CG 4.15Å
414W90.5Very high72.9Confident2 Ų291.1 Ų91.11%0.00848%0.478CS..PPolyproline II helixtrans-99.8118.3166.8-169.2-84.9000110.9H213 F247 W388 P389 H416 I429 R430 S431 D435 T437H213-W414 AromaticContact CD2-CE3 3.68Å; H213-W414 AromaticContact CE1-CE3 3.85Å; H213-W414 AromaticContact CE1-CZ3 3.89Å; H213-W414 AromaticContact NE2-CE3 3.49Å; H213-W414 AromaticContact NE2-CZ3 4Å; F247-W414 AromaticContact CE2-CE3 3.96Å; F247-W414 HydrophobicContact CE2-CE3 3.96Å; F247-W414 AromaticContact CE2-CH2 3.91Å; F247-W414 HydrophobicContact CE2-CH2 3.91Å; F247-W414 AromaticContact CE2-CZ3 3.49Å; F247-W414 HydrophobicContact CE2-CZ3 3.49Å; F247-W414 VanDerWaalsContact CE2-CZ3 3.49Å; F247-W414 AromaticContact CZ-CE3 3.6Å; F247-W414 HydrophobicContact CZ-CE3 3.6Å; F247-W414 HydrophobicContact CZ-CH2 4.37Å; F247-W414 AromaticContact CZ-CZ3 3.51Å; F247-W414 HydrophobicContact CZ-CZ3 3.51Å; W388-W414 HydrophobicContact CG-CB 4.26Å; P389-W414 PolarHBondContact O-N 3.33Å; P389-W414 VanDerWaalsContact O-N 3.16Å; W414-H416 PolarHBondContact NE1-O 3.35Å; W414-H416 VanDerWaalsContact NE1-O 3.08Å; W414-I429 HydrophobicContact CD2-CG2 4.47Å; W414-I429 HydrophobicContact CG-CG2 4.37Å; W414-R430 PolarHBondContact NE1-O 3.07Å; W414-S431 VanDerWaalsContact CZ2-CB 3.49Å; W414-D435 HydrophobicContact CH2-CB 3.58Å; W414-D435 HydrophobicContact CZ2-CB 3.63Å; W414-T437 HydrophobicContact CH2-CG2 4.5Å
415K88.4Confident75.5Confident171 Ų17186.7 Ų86.774%0.74345%0.447SS*.  trans-85.9-33-169.3-66-167177-161.50115.1I413 R417I413-K415 HydrophobicContact CG2-CG 4.15Å; K415-R417 PolarHBondContact O-N 3.43Å
416H90.8Very high78Confident64 Ų6482.3 Ų82.330%0.29642%0.424SS..  trans-87114.9-174.8-61.8113000110.1W414 R430 D435W414-H416 PolarHBondContact NE1-O 3.35Å; W414-H416 VanDerWaalsContact NE1-O 3.08Å; H416-R430 VanDerWaalsContact CB-O 3.28Å; H416-R430 WeakPolarHBondContact CB-O 3.17Å; H416-R430 PolarHBondContact O-N 3.48Å; H416-D435 IonicContact CE1-OD1 3.11Å; H416-D435 PolarHBondContact CE1-OD1 3.07Å; H416-D435 IonicContact CE1-OD2 2.78Å; H416-D435 IonicContact CG-OD1 3.04Å; H416-D435 IonicContact CG-OD2 2.67Å; H416-D435 IonicContact ND1-OD1 3.67Å; H416-D435 PolarHBondContact ND1-OD1 3.23Å; H416-D435 IonicContact ND1-OD2 3.14Å; H416-D435 PolarHBondContact ND1-OD2 3.47Å
417R93.3Very high80.9Confident36 Ų3673.7 Ų73.714%0.13638%0.384CS..BIsolated β-bridgetrans-108.7171.4-176.2-54.7-51.7-58.2-130.15111.4I387 W388 K415 E426 S427 C428 R430I387-R417 PolarHBondContact O-NH1 3.42Å; I387-R417 VanDerWaalsContact O-NH1 3.08Å; I387-R417 PolarHBondContact O-NH2 3.01Å; W388-R417 PolarHBondContact O-NH1 2.94Å; K415-R417 PolarHBondContact O-N 3.43Å; R417-E426 PolarHBondContact NE-O 2.78Å; R417-E426 PolarHBondContact NH2-O 3.3Å; R417-S427 PolarHBondContact NH2-O 3.49Å; R417-C428 WeakPolarHBondContact CA-O 3.42Å; R417-C428 PolarHBondContact NE-O 3.12Å; R417-C428 PolarHBondContact NH2-O 3.26Å; R417-R430 WeakPolarHBondContact O-CD 3.41Å
418G90.6Very high83.3Confident6 Ų668.4 Ų68.46%0.06236%0.359CS..  trans-63.3162.5168.500000112.1E368 S420 C425 C428E368-G418 WeakPolarHBondContact OE1-CA 3.3Å; G418-S420 PolarHBondContact O-N 2.96Å; G418-C425 CarbonylContact C-O 3.25Å; G418-C425 WeakPolarHBondContact CA-O 3.44Å; G418-C425 PolarHBondContact N-O 3.33Å; G418-C428 PolarHBondContact N-O 3.06Å
419L90.1Very high85.7Confident76 Ų7663.7 Ų63.740%0.39833%0.334SS..  trans-69.8124.6-178.6-60.6175.3000110.9P364 E368 Y423 C425P364-L419 HydrophobicContact CB-CD1 4.09Å; P364-L419 HydrophobicContact CG-CD1 3.81Å; E368-L419 HydrophobicContact CG-CB 4.17Å; E368-L419 WeakPolarHBondContact OE1-CG 3.23Å; E368-L419 PolarHBondContact OE1-N 2.82Å; L419-Y423 HydrophobicContact CB-CD2 3.82Å; L419-Y423 HydrophobicContact CB-CE2 4.44Å; L419-Y423 HydrophobicContact CD1-CD2 4.2Å; L419-Y423 HydrophobicContact CD1-CE2 3.98Å; L419-C425 PolarHBondContact O-N 3.49Å
420S84.4Confident87.7Confident49 Ų4958.8 Ų58.834%0.34330%0.299SS..  trans-87.6-46-178.1-66.40000113.6G418 L422 Y423 Q424 E426G418-S420 PolarHBondContact O-N 2.96Å; S420-L422 PolarHBondContact O-N 2.95Å; S420-Y423 PolarHBondContact O-N 2.89Å; S420-Q424 WeakPolarHBondContact O-CA 3.32Å; S420-Q424 PolarHBondContact O-N 3.09Å; S420-E426 WeakPolarHBondContact CB-OE2 3.37Å; S420-E426 WeakPolarHBondContact OG-CB 3.46Å; S420-E426 PolarHBondContact OG-OE2 3.4Å
421D79.5Confident88.9Confident174 Ų17455.2 Ų55.293%0.9328%0.278SS*.THydrogen-bonded Turntrans-52.9-52.9-165.9-54.7-28.9000113.4
422L82.6Confident89.5Confident134 Ų13454 Ų5470%0.70227%0.272SS*.THydrogen-bonded Turntrans-94.1-25.5-178.4-175.960.6000113.1S420S420-L422 PolarHBondContact O-N 2.95Å
423Y88Confident89.2Confident42 Ų4257 Ų5717%0.16529%0.285CS..THydrogen-bonded Turntrans-122.8-10-164.2-54.1-84000115.7P364 E368 R372 L419 S420 C425P364-Y423 HydrophobicContact CB-CE2 4.04Å; E368-Y423 VanDerWaalsContact CB-CB 3.46Å; E368-Y423 HydrophobicContact CB-CD1 3.65Å; E368-Y423 HydrophobicContact CB-CD2 3.68Å; E368-Y423 HydrophobicContact CB-CE1 4.25Å; E368-Y423 HydrophobicContact CB-CE2 4.26Å; E368-Y423 HydrophobicContact CB-CG 3.33Å; E368-Y423 HydrophobicContact CG-CD2 4.19Å; E368-Y423 HydrophobicContact CG-CG 4.14Å; R372-Y423 WeakPolarHBondContact CD-O 3.09Å; R372-Y423 PolarHBondContact NH1-O 2.92Å; L419-Y423 HydrophobicContact CB-CD2 3.82Å; L419-Y423 HydrophobicContact CB-CE2 4.44Å; L419-Y423 HydrophobicContact CD1-CD2 4.2Å; L419-Y423 HydrophobicContact CD1-CE2 3.98Å; S420-Y423 PolarHBondContact O-N 2.89Å; Y423-C425 VanDerWaalsContact C-N 3.32Å; Y423-C425 PolarHBondContact O-N 2.99Å; Y423-C425 PolarHBondContact O-SG 3.05Å
424Q89.9Confident88.9Confident124 Ų12460.6 Ų60.658%0.57930%0.298SS*.  trans51.350.9-179.7-56.6168.2-5.600112R372 S420R372-Q424 PolarHBondContact NH1-O 2.9Å; S420-Q424 WeakPolarHBondContact O-CA 3.32Å; S420-Q424 PolarHBondContact O-N 3.09Å
425C93.2Very high88.7Confident0 Ų060.7 Ų60.70%030%0.299CS..  trans-115.724.2-175.4-75.10000113E368 G418 L419 Y423 S427 C428E368-C425 HydrophobicContact CB-CB 4.3Å; E368-C425 HydrophobicContact CG-CB 3.48Å; E368-C425 VanDerWaalsContact CG-CB 3.48Å; G418-C425 CarbonylContact C-O 3.25Å; G418-C425 WeakPolarHBondContact CA-O 3.44Å; G418-C425 PolarHBondContact N-O 3.33Å; L419-C425 PolarHBondContact O-N 3.49Å; Y423-C425 VanDerWaalsContact C-N 3.32Å; Y423-C425 PolarHBondContact O-N 2.99Å; Y423-C425 PolarHBondContact O-SG 3.05Å; C425-S427 PolarHBondContact O-N 3.01Å; C425-C428 HydrophobicContact CB-CB 4.35Å; C425-C428 VanDerWaalsContact O-CB 3.25Å; C425-C428 WeakPolarHBondContact O-CB 3.04Å; C425-C428 PolarHBondContact O-N 3.44Å
426E93Very high88.7Confident71 Ų7153.5 Ų53.533%0.33227%0.268SS..THydrogen-bonded Turntrans-56.6-29.917253.1-79.1-172.500112.2R417 S420 C428R417-E426 PolarHBondContact NE-O 2.78Å; R417-E426 PolarHBondContact NH2-O 3.3Å; S420-E426 WeakPolarHBondContact CB-OE2 3.37Å; S420-E426 WeakPolarHBondContact OG-CB 3.46Å; S420-E426 PolarHBondContact OG-OE2 3.4Å; E426-C428 PolarHBondContact O-N 3.23Å
427S93.5Very high88.5Confident19 Ų1950.4 Ų50.413%0.13325%0.254CS..THydrogen-bonded Turntrans-66.2-11.6174.2-62.10000113.7T386 I387 R417 C425T386-S427 PolarHBondContact OG1-OG 3.18Å; I387-S427 WeakPolarHBondContact CG1-O 3.21Å; I387-S427 PolarHBondContact N-O 2.87Å; I387-S427 VanDerWaalsContact N-O 3.08Å; R417-S427 PolarHBondContact NH2-O 3.49Å; C425-S427 PolarHBondContact O-N 3.01Å
428C96Very high87.9Confident0 Ų052.7 Ų52.70%027%0.269CS..SBendtrans-97.9160.1179.4-56.30000112.3R417 G418 C425 E426 F441 I442 A443R417-C428 WeakPolarHBondContact CA-O 3.42Å; R417-C428 PolarHBondContact NE-O 3.12Å; R417-C428 PolarHBondContact NH2-O 3.26Å; G418-C428 PolarHBondContact N-O 3.06Å; C425-C428 HydrophobicContact CB-CB 4.35Å; C425-C428 VanDerWaalsContact O-CB 3.25Å; C425-C428 WeakPolarHBondContact O-CB 3.04Å; C425-C428 PolarHBondContact O-N 3.44Å; E426-C428 PolarHBondContact O-N 3.23Å; C428-F441 HydrophobicContact CB-CE2 3.54Å; C428-F441 HydrophobicContact CB-CZ 3.56Å; C428-I442 WeakPolarHBondContact CA-O 3.24Å; C428-I442 VanDerWaalsContact CB-O 3.25Å; C428-I442 WeakPolarHBondContact CB-O 3.44Å; C428-A443 HydrophobicContact CB-CB 4.5Å
429I94.7Very high87.4Confident2 Ų253.1 Ų53.11%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-99.6134.9174.9-72172.7000109.6I251 I387 W388 W414 F441 I442I251-I429 HydrophobicContact CD1-CD1 3.84Å; I387-I429 HydrophobicContact CD1-CB 3.98Å; I387-I429 HydrophobicContact CD1-CD1 3.77Å; I387-I429 HydrophobicContact CD1-CG1 3.65Å; I387-I429 HydrophobicContact CG1-CD1 4.23Å; I387-I429 HydrophobicContact CG1-CG1 4.02Å; W388-I429 HydrophobicContact CB-CD1 3.59Å; W388-I429 HydrophobicContact CB-CG1 4.43Å; W388-I429 HydrophobicContact CG-CD1 4.2Å; W414-I429 HydrophobicContact CD2-CG2 4.47Å; W414-I429 HydrophobicContact CG-CG2 4.37Å; I429-F441 WeakPolarHBondContact O-CA 3.32Å; I429-F441 WeakPolarHBondContact O-CD2 3.21Å; I429-I442 HydrophobicContact CB-CB 4.41Å; I429-I442 PolarHBondContact N-O 2.95Å; I429-I442 PolarHBondContact O-N 3.37Å
430R92.8Very high87.4Confident44 Ų4449.7 Ų49.717%0.16626%0.255CS..EExtended strand (participates in β ladder)trans-110.9140.3159.9-83.3-174.8167.3-105.84.3109.5I362 E368 W414 H416 R417 F440 F441I362-R430 PolarHBondContact O-NH1 3.36Å; I362-R430 PolarHBondContact O-NH2 2.75Å; E368-R430 IonicContact OE1-CZ 3.42Å; E368-R430 VanDerWaalsContact OE1-CZ 3.26Å; E368-R430 IonicContact OE1-NE 3.63Å; E368-R430 PolarHBondContact OE1-NE 2.97Å; E368-R430 IonicContact OE1-NH2 3.8Å; E368-R430 PolarHBondContact OE1-NH2 3.37Å; E368-R430 VanDerWaalsContact OE1-NH2 3.11Å; E368-R430 IonicContact OE2-CZ 3.21Å; E368-R430 IonicContact OE2-NE 3.21Å; E368-R430 IonicContact OE2-NH2 2.65Å; E368-R430 PolarHBondContact OE2-NH2 2.72Å; W414-R430 PolarHBondContact NE1-O 3.07Å; H416-R430 VanDerWaalsContact CB-O 3.28Å; H416-R430 WeakPolarHBondContact CB-O 3.17Å; H416-R430 PolarHBondContact O-N 3.48Å; R417-R430 WeakPolarHBondContact O-CD 3.41Å; R430-F440 WeakPolarHBondContact CA-O 3.26Å; R430-F441 HydrophobicContact CG-CD2 3.78Å; R430-F441 HydrophobicContact CG-CE2 4.47Å
431S90.5Very high87.9Confident7 Ų747.4 Ų47.45%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-121.4149165.681.10000110.5A244 W414 T437 N438 G439 F440A244-S431 VanDerWaalsContact CB-OG 3.25Å; A244-S431 WeakPolarHBondContact CB-OG 3.47Å; W414-S431 VanDerWaalsContact CZ2-CB 3.49Å; S431-T437 WeakPolarHBondContact CB-OG1 3.3Å; S431-T437 PolarHBondContact OG-OG1 3.33Å; S431-N438 CarbonylContact C-O 3.57Å; S431-N438 PolarHBondContact OG-O 3.19Å; S431-G439 WeakPolarHBondContact O-CA 3.41Å; S431-F440 PolarHBondContact N-O 3.47Å; S431-F440 PolarHBondContact O-N 3.47Å; S431-F440 VanDerWaalsContact O-N 3.12Å; S431-F440 WeakPolarHBondContact OG-CB 3.39Å; S431-F440 PolarHBondContact OG-N 3.3Å
432S84.9Confident88.7Confident33 Ų3339.1 Ų39.123%0.23120%0.195CC..  trans-144.9-174.417668.90000109.9K434 D435 T437S432-K434 PolarHBondContact O-N 3.26Å; S432-K434 VanDerWaalsContact O-N 3.14Å; S432-K434 PolarHBondContact OG-N 2.97Å; S432-D435 PolarHBondContact N-OD2 3.15Å; S432-D435 WeakPolarHBondContact O-CA 3.49Å; S432-D435 WeakPolarHBondContact O-CB 3.35Å; S432-D435 PolarHBondContact O-N 3.33Å; S432-T437 CarbonylContact C-O 3.6Å; S432-T437 VanDerWaalsContact C-O 3.29Å; S432-T437 PolarHBondContact O-N 3.11Å; S432-T437 PolarHBondContact O-OG1 2.91Å; S432-T437 VanDerWaalsContact O-OG1 3.08Å
433E78.3Confident89.4Confident74 Ų7432.8 Ų32.835%0.34616%0.161SC..G310 helixtrans-56.6-31.1174.9-39.9-159.7149.500113.1R25 D435 L436 T437R25-E433 WeakPolarHBondContact CB-OE1 3.43Å; R25-E433 VanDerWaalsContact CD-CD 3.43Å; R25-E433 WeakPolarHBondContact CD-OE1 3.4Å; R25-E433 WeakPolarHBondContact CD-OE2 3.32Å; R25-E433 WeakPolarHBondContact CG-OE1 3.27Å; R25-E433 VanDerWaalsContact CG-OE2 3.28Å; R25-E433 WeakPolarHBondContact CG-OE2 3.11Å; R25-E433 IonicContact CZ-OE1 2.7Å; R25-E433 IonicContact CZ-OE2 3.93Å; R25-E433 IonicContact NE-OE1 2.81Å; R25-E433 PolarHBondContact NE-OE1 3.28Å; R25-E433 IonicContact NE-OE2 3.81Å; R25-E433 PolarHBondContact NE-OE2 2.78Å; R25-E433 IonicContact NH1-OE1 3Å; R25-E433 PolarHBondContact NH1-OE1 2.86Å; R25-E433 IonicContact NH1-OE2 2.61Å; R25-E433 PolarHBondContact NH1-OE2 3.16Å; R25-E433 IonicContact NH2-OE2 2.69Å; E433-D435 PolarHBondContact O-N 3.39Å; E433-L436 PolarHBondContact O-N 3.37Å; E433-T437 WeakPolarHBondContact CA-O 3.49Å; E433-T437 PolarHBondContact N-O 3.44Å
434K81.7Confident89.9Confident145 Ų14531 Ų3163%0.6315%0.154SC*.G310 helixtrans-58.3-31174.4-62.8177.3-178.8173.30109.8R197 S432 L436R197-K434 VanDerWaalsContact CD-O 3.31Å; R197-K434 WeakPolarHBondContact CD-O 3.4Å; R197-K434 PolarHBondContact NH1-O 2.89Å; S432-K434 PolarHBondContact O-N 3.26Å; S432-K434 VanDerWaalsContact O-N 3.14Å; S432-K434 PolarHBondContact OG-N 2.97Å; K434-L436 VanDerWaalsContact C-N 3.3Å; K434-L436 PolarHBondContact O-N 3.32Å
435D87.5Confident90.3Very high4 Ų425.1 Ų25.12%0.02113%0.127CC..G310 helixtrans-89.49.7-180-54.5-59.6000114Y193 W414 H416 S432 E433 T437Y193-D435 PolarHBondContact OH-O 2.81Å; W414-D435 HydrophobicContact CH2-CB 3.58Å; W414-D435 HydrophobicContact CZ2-CB 3.63Å; H416-D435 IonicContact CE1-OD1 3.11Å; H416-D435 PolarHBondContact CE1-OD1 3.07Å; H416-D435 IonicContact CE1-OD2 2.78Å; H416-D435 IonicContact CG-OD1 3.04Å; H416-D435 IonicContact CG-OD2 2.67Å; H416-D435 IonicContact ND1-OD1 3.67Å; H416-D435 PolarHBondContact ND1-OD1 3.23Å; H416-D435 IonicContact ND1-OD2 3.14Å; H416-D435 PolarHBondContact ND1-OD2 3.47Å; S432-D435 PolarHBondContact N-OD2 3.15Å; S432-D435 WeakPolarHBondContact O-CA 3.49Å; S432-D435 WeakPolarHBondContact O-CB 3.35Å; S432-D435 PolarHBondContact O-N 3.33Å; E433-D435 PolarHBondContact O-N 3.39Å; D435-T437 HydrophobicContact CB-CG2 4.43Å; D435-T437 PolarHBondContact O-N 2.83Å
436L87.8Confident90.4Very high19 Ų1926.3 Ų26.310%0.09913%0.133CC..THydrogen-bonded Turntrans59.827.2-169.3-55.1-179.3000113.1L156 P157 Y159 R197 V200 E433 K434L156-L436 VanDerWaalsContact CD2-C 3.46Å; P157-L436 HydrophobicContact CG-CB 3.97Å; P157-L436 HydrophobicContact CG-CD1 4.33Å; Y159-L436 VanDerWaalsContact CE2-O 3.25Å; Y159-L436 WeakPolarHBondContact CE2-O 3.29Å; Y159-L436 WeakPolarHBondContact OH-CB 3.49Å; Y159-L436 PolarHBondContact OH-O 2.64Å; R197-L436 HydrophobicContact CB-CD1 3.97Å; R197-L436 HydrophobicContact CB-CG 4.37Å; R197-L436 HydrophobicContact CG-CD1 3.71Å; R197-L436 HydrophobicContact CG-CG 3.89Å; V200-L436 HydrophobicContact CB-CD1 3.98Å; V200-L436 HydrophobicContact CG1-CD1 3.9Å; V200-L436 HydrophobicContact CG2-CD1 4.37Å; E433-L436 PolarHBondContact O-N 3.37Å; K434-L436 VanDerWaalsContact C-N 3.3Å; K434-L436 PolarHBondContact O-N 3.32Å
437T86.6Confident90.6Very high0 Ų025.8 Ų25.80%013%0.13CC..SBendtrans-123.9175176.963.90000111.3K243 A244 W414 S431 S432 E433 D435K243-T437 HydrophobicContact CB-CG2 3.91Å; K243-T437 HydrophobicContact CD-CG2 4.03Å; K243-T437 HydrophobicContact CG-CG2 4.16Å; A244-T437 HydrophobicContact CB-CG2 4.11Å; W414-T437 HydrophobicContact CH2-CG2 4.5Å; S431-T437 WeakPolarHBondContact CB-OG1 3.3Å; S431-T437 PolarHBondContact OG-OG1 3.33Å; S432-T437 CarbonylContact C-O 3.6Å; S432-T437 VanDerWaalsContact C-O 3.29Å; S432-T437 PolarHBondContact O-N 3.11Å; S432-T437 PolarHBondContact O-OG1 2.91Å; S432-T437 VanDerWaalsContact O-OG1 3.08Å; E433-T437 WeakPolarHBondContact CA-O 3.49Å; E433-T437 PolarHBondContact N-O 3.44Å; D435-T437 HydrophobicContact CB-CG2 4.43Å; D435-T437 PolarHBondContact O-N 2.83Å
438N80Confident90.6Very high83 Ų8330.6 Ų30.644%0.44415%0.146SC..  trans-71.2173161.4-68.7-62000111.6L156 D242 S431 F440L156-N438 WeakPolarHBondContact CD1-OD1 3.29Å; D242-N438 PolarHBondContact OD2-N 3.14Å; D242-N438 PolarHBondContact OD2-ND2 3.21Å; S431-N438 CarbonylContact C-O 3.57Å; S431-N438 PolarHBondContact OG-O 3.19Å; N438-F440 PolarHBondContact O-N 3.33Å
439G80.2Confident90.3Very high15 Ų1539.9 Ų39.916%0.15519%0.186CC..SBendtrans-63.2119.2167.200000110C360 S431C360-G439 CarbonylContact C-O 3.46Å; C360-G439 VanDerWaalsContact C-O 3.29Å; C360-G439 WeakPolarHBondContact CA-O 3.4Å; S431-G439 WeakPolarHBondContact O-CA 3.41Å
440F90.6Very high89.5Confident5 Ų544.3 Ų44.32%0.02222%0.218CC..EExtended strand (participates in β ladder)trans-147.3152-179.3-154.1-104.5000109.8A244 S245 T359 C360 R430 S431 N438 I442A244-F440 HydrophobicContact CB-CB 3.46Å; A244-F440 VanDerWaalsContact CB-CB 3.46Å; A244-F440 HydrophobicContact CB-CD1 3.83Å; A244-F440 HydrophobicContact CB-CD2 4.31Å; A244-F440 HydrophobicContact CB-CG 3.63Å; A244-F440 WeakPolarHBondContact O-CD1 3.44Å; A244-F440 VanDerWaalsContact O-CE1 3.29Å; A244-F440 WeakPolarHBondContact O-CE1 3.45Å; S245-F440 WeakPolarHBondContact OG-CE2 3.37Å; T359-F440 VanDerWaalsContact O-CA 3.28Å; T359-F440 WeakPolarHBondContact O-CA 3.5Å; T359-F440 WeakPolarHBondContact O-CD2 3.34Å; T359-F440 WeakPolarHBondContact O-CE2 3.45Å; T359-F440 WeakPolarHBondContact O-CG 3.37Å; C360-F440 HydrophobicContact CB-CD2 4.35Å; C360-F440 VanDerWaalsContact SG-CE2 3.5Å; R430-F440 WeakPolarHBondContact CA-O 3.26Å; S431-F440 PolarHBondContact N-O 3.47Å; S431-F440 PolarHBondContact O-N 3.47Å; S431-F440 VanDerWaalsContact O-N 3.12Å; S431-F440 WeakPolarHBondContact OG-CB 3.39Å; S431-F440 PolarHBondContact OG-N 3.3Å; N438-F440 PolarHBondContact O-N 3.33Å; F440-I442 HydrophobicContact CD1-CD1 3.75Å; F440-I442 HydrophobicContact CD1-CG1 3.54Å; F440-I442 HydrophobicContact CE1-CD1 3.56Å; F440-I442 HydrophobicContact CE1-CG1 3.44Å; F440-I442 VanDerWaalsContact CE1-CG1 3.44Å
441F94.3Very high87.9Confident0 Ų049.2 Ų49.20%025%0.247CC..EExtended strand (participates in β ladder)trans-139.7143.8177.4175.6-92.6000110.3Y357 S358 T359 N367 E368 V371 C428 I429 R430 A443Y357-F441 HydrophobicContact CD1-CD1 4.36Å; Y357-F441 HydrophobicContact CD1-CE1 4.14Å; Y357-F441 HydrophobicContact CE1-CD1 4.34Å; Y357-F441 HydrophobicContact CE1-CE1 4.3Å; S358-F441 CarbonylContact C-O 3.29Å; S358-F441 WeakPolarHBondContact CA-O 3.45Å; S358-F441 WeakPolarHBondContact CB-O 3.42Å; T359-F441 PolarHBondContact N-O 2.86Å; T359-F441 PolarHBondContact O-N 3.36Å; N367-F441 HydrophobicContact CB-CB 4.06Å; N367-F441 HydrophobicContact CB-CD1 3.78Å; N367-F441 HydrophobicContact CB-CD2 3.88Å; N367-F441 HydrophobicContact CB-CE1 4.14Å; N367-F441 HydrophobicContact CB-CE2 4.22Å; N367-F441 HydrophobicContact CB-CG 3.63Å; N367-F441 HydrophobicContact CB-CZ 4.34Å; N367-F441 VanDerWaalsContact CG-CB 3.45Å; N367-F441 WeakPolarHBondContact ND2-CB 3.5Å; E368-F441 HydrophobicContact CG-CE2 4.11Å; E368-F441 HydrophobicContact CG-CZ 4.36Å; V371-F441 HydrophobicContact CB-CE1 4.5Å; V371-F441 HydrophobicContact CB-CZ 4.44Å; V371-F441 HydrophobicContact CG2-CE1 3.49Å; V371-F441 VanDerWaalsContact CG2-CE1 3.49Å; V371-F441 HydrophobicContact CG2-CZ 3.84Å; C428-F441 HydrophobicContact CB-CE2 3.54Å; C428-F441 HydrophobicContact CB-CZ 3.56Å; I429-F441 WeakPolarHBondContact O-CA 3.32Å; I429-F441 WeakPolarHBondContact O-CD2 3.21Å; R430-F441 HydrophobicContact CG-CD2 3.78Å; R430-F441 HydrophobicContact CG-CE2 4.47Å; F441-A443 HydrophobicContact CE1-CB 4.21Å
442I97Very high85.8Confident1 Ų156.3 Ų56.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-141.3138.3-178.4-46.1177.3000110.1F247 I251 V356 Y357 I387 C428 I429 F440F247-I442 HydrophobicContact CB-CD1 3.24Å; F247-I442 HydrophobicContact CG-CD1 4.26Å; I251-I442 HydrophobicContact CD1-CB 4.44Å; I251-I442 HydrophobicContact CD1-CD1 4.03Å; I251-I442 HydrophobicContact CD1-CG2 3.87Å; V356-I442 HydrophobicContact CG1-CG2 3.94Å; Y357-I442 CarbonylContact O-C 3.56Å; Y357-I442 VanDerWaalsContact O-CA 3.3Å; Y357-I442 WeakPolarHBondContact O-CA 3.38Å; I387-I442 HydrophobicContact CD1-CB 3.93Å; I387-I442 HydrophobicContact CD1-CG2 3.92Å; I387-I442 WeakPolarHBondContact CD1-O 3.49Å; C428-I442 WeakPolarHBondContact CA-O 3.24Å; C428-I442 VanDerWaalsContact CB-O 3.25Å; C428-I442 WeakPolarHBondContact CB-O 3.44Å; I429-I442 HydrophobicContact CB-CB 4.41Å; I429-I442 PolarHBondContact N-O 2.95Å; I429-I442 PolarHBondContact O-N 3.37Å; F440-I442 HydrophobicContact CD1-CD1 3.75Å; F440-I442 HydrophobicContact CD1-CG1 3.54Å; F440-I442 HydrophobicContact CE1-CD1 3.56Å; F440-I442 HydrophobicContact CE1-CG1 3.44Å; F440-I442 VanDerWaalsContact CE1-CG1 3.44Å
443A97.4Very high83.7Confident0 Ų059.6 Ų59.60%031%0.307CS..EExtended strand (participates in β ladder)trans-135152.8169.800000110.2V356 Y357 V371 L384 C428 F441 F445V356-A443 WeakPolarHBondContact CA-O 3.43Å; Y357-A443 PolarHBondContact N-O 3.46Å; Y357-A443 PolarHBondContact O-N 3.01Å; V371-A443 HydrophobicContact CG1-CB 4.25Å; V371-A443 HydrophobicContact CG2-CB 3.68Å; L384-A443 HydrophobicContact CD1-CB 4Å; C428-A443 HydrophobicContact CB-CB 4.5Å; F441-A443 HydrophobicContact CE1-CB 4.21Å; A443-F445 HydrophobicContact CB-CE2 4.46Å
444L97.8Very high81.8Confident4 Ų463.8 Ų63.82%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-127.8127.917517365.7000109.5I251 R354 V355 V356 E385 I387 I446I251-L444 HydrophobicContact CG2-CB 4.01Å; I251-L444 HydrophobicContact CG2-CD2 4Å; I251-L444 HydrophobicContact CG2-CG 4.44Å; R354-L444 HydrophobicContact CB-CD1 4.28Å; V355-L444 WeakPolarHBondContact O-CA 3.47Å; V356-L444 HydrophobicContact CG2-CD1 3.64Å; E385-L444 HydrophobicContact CB-CB 4.38Å; E385-L444 HydrophobicContact CB-CD2 4.01Å; E385-L444 HydrophobicContact CB-CG 4.1Å; E385-L444 HydrophobicContact CG-CD2 3.98Å; E385-L444 PolarHBondContact N-O 3.44Å; I387-L444 HydrophobicContact CG2-CB 3.29Å; I387-L444 HydrophobicContact CG2-CD2 3.71Å; I387-L444 HydrophobicContact CG2-CG 4.13Å; L444-I446 HydrophobicContact CD1-CG1 4.37Å; L444-I446 HydrophobicContact CD2-CD1 4Å; L444-I446 HydrophobicContact CD2-CG1 4.13Å; L444-I446 HydrophobicContact CG-CD1 4.42Å; L444-I446 HydrophobicContact CG-CG1 3.99Å
445F97.7Very high79.3Confident1 Ų164.5 Ų64.50%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-106.2135.6169.4-66.1-89.5000109.9F347 R354 V355 V371 I374 A375 V378 F382 Y383 L384 A443F347-F445 HydrophobicContact CE1-CB 3.8Å; F347-F445 HydrophobicContact CE1-CG 4.21Å; F347-F445 HydrophobicContact CZ-CB 3.69Å; F347-F445 HydrophobicContact CZ-CD1 4.26Å; F347-F445 AromaticContact CZ-CD2 3.81Å; F347-F445 HydrophobicContact CZ-CD2 3.81Å; F347-F445 HydrophobicContact CZ-CE2 4.49Å; F347-F445 AromaticContact CZ-CG 3.65Å; F347-F445 HydrophobicContact CZ-CG 3.65Å; R354-F445 WeakPolarHBondContact CA-O 3.33Å; V355-F445 HydrophobicContact CB-CB 4.34Å; V355-F445 PolarHBondContact N-O 2.92Å; V355-F445 PolarHBondContact O-N 3.49Å; V371-F445 HydrophobicContact CG1-CZ 3.99Å; I374-F445 HydrophobicContact CB-CZ 4.27Å; I374-F445 HydrophobicContact CG2-CE1 4.25Å; I374-F445 HydrophobicContact CG2-CE2 4.03Å; I374-F445 HydrophobicContact CG2-CZ 3.77Å; A375-F445 HydrophobicContact CB-CE1 3.73Å; A375-F445 HydrophobicContact CB-CZ 4.16Å; V378-F445 HydrophobicContact CG2-CD1 4.14Å; V378-F445 HydrophobicContact CG2-CE1 4.32Å; F382-F445 HydrophobicContact CB-CB 4.45Å; Y383-F445 WeakPolarHBondContact O-CA 3.47Å; L384-F445 HydrophobicContact CB-CE1 4.25Å; L384-F445 HydrophobicContact CD1-CD1 4.41Å; L384-F445 HydrophobicContact CD1-CE1 4.03Å; L384-F445 HydrophobicContact CD1-CE2 4.28Å; L384-F445 HydrophobicContact CD1-CZ 3.97Å; A443-F445 HydrophobicContact CB-CE2 4.46Å
446I96.4Very high76.7Confident25 Ų2571.1 Ų71.113%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-121.6134.7177.2-60.9-173.5000109.1R354 F382 Y383 E385 L444R354-I446 HydrophobicContact CG-CG1 4.48Å; F382-I446 VanDerWaalsContact CA-O 3.23Å; F382-I446 WeakPolarHBondContact CA-O 3.45Å; Y383-I446 HydrophobicContact CD1-CB 4.43Å; Y383-I446 VanDerWaalsContact CD1-O 3.25Å; Y383-I446 WeakPolarHBondContact CD1-O 3.37Å; Y383-I446 HydrophobicContact CE1-CB 3.75Å; Y383-I446 HydrophobicContact CE1-CG2 3.83Å; Y383-I446 HydrophobicContact CE2-CB 4.49Å; Y383-I446 PolarHBondContact N-O 3.22Å; Y383-I446 PolarHBondContact O-N 2.86Å; E385-I446 HydrophobicContact CB-CD1 3.82Å; E385-I446 HydrophobicContact CB-CG1 3.96Å; E385-I446 HydrophobicContact CG-CD1 3.67Å; E385-I446 HydrophobicContact CG-CG1 4.38Å; L444-I446 HydrophobicContact CD1-CG1 4.37Å; L444-I446 HydrophobicContact CD2-CD1 4Å; L444-I446 HydrophobicContact CD2-CG1 4.13Å; L444-I446 HydrophobicContact CG-CD1 4.42Å; L444-I446 HydrophobicContact CG-CG1 3.99Å
447K96Very high74Confident60 Ų6075.9 Ų75.926%0.26141%0.412SS..EExtended strand (participates in β ladder)trans-67.9136.5175-165.7167.8177.4175.80110P350 V352 Q353 K381 F382 K449P350-K447 PolarHBondContact O-NZ 2.97Å; V352-K447 WeakPolarHBondContact O-CD 3.23Å; Q353-K447 PolarHBondContact O-N 2.81Å; K381-K447 CarbonylContact O-C 3.54Å; K381-K447 WeakPolarHBondContact O-CA 3.46Å; F382-K447 VanDerWaalsContact CD1-CA 3.44Å; F382-K447 HydrophobicContact CD1-CB 3.8Å; F382-K447 HydrophobicContact CD1-CG 4.4Å; F382-K447 VanDerWaalsContact CD1-N 3.3Å; F382-K447 HydrophobicContact CE1-CB 3.44Å; F382-K447 VanDerWaalsContact CE1-CB 3.44Å; F382-K447 HydrophobicContact CE1-CD 4.22Å; F382-K447 HydrophobicContact CE1-CG 3.92Å; F382-K447 HydrophobicContact CE2-CG 4.34Å; F382-K447 HydrophobicContact CZ-CB 3.92Å; F382-K447 HydrophobicContact CZ-CD 3.85Å; F382-K447 HydrophobicContact CZ-CG 3.85Å; K447-K449 PolarHBondContact O-N 3.26Å
448Y95.2Very high71Confident121 Ų12181.6 Ų81.648%0.47545%0.452SS..PPolyproline II helixtrans-58.4136.5171-70.6-66.7000110.5K381 Y383 S450K381-Y448 WeakPolarHBondContact O-CD2 3.34Å; K381-Y448 PolarHBondContact O-N 3.33Å; Y383-Y448 AromaticContact CD1-CD1 3.75Å; Y383-Y448 HydrophobicContact CD1-CD1 3.75Å; Y383-Y448 AromaticContact CD1-CE1 3.58Å; Y383-Y448 HydrophobicContact CD1-CE1 3.58Å; Y383-Y448 HydrophobicContact CD1-CG 4.4Å; Y383-Y448 HydrophobicContact CE1-CD1 4.34Å; Y383-Y448 HydrophobicContact CE1-CE1 4.47Å; Y383-Y448 HydrophobicContact CG-CE1 4.04Å; Y448-S450 PolarHBondContact O-N 3.01Å
449K89Confident68.5Low195 Ų19582 Ų8285%0.84846%0.461SS*.PPolyproline II helixtrans-64.9129.1169.7-69-177.9179.8178.50108K447 N451K447-K449 PolarHBondContact O-N 3.26Å; K449-N451 PolarHBondContact O-N 3.19Å
450S79Confident65.9Low95 Ų9586.3 Ų86.366%0.66449%0.49SS*.PPolyproline II helixtrans-63.9119.5170.8-178.80000108.2Y448 N452Y448-S450 PolarHBondContact O-N 3.01Å; S450-N452 PolarHBondContact O-N 3.45Å
451N59.1Low62.7Low146 Ų14691.3 Ų91.378%0.78153%0.525SS*.  trans-70.670.1173-78.6-9.7000109.8K449 S453K449-N451 PolarHBondContact O-N 3.19Å; N451-S453 VanDerWaalsContact C-N 3.26Å; N451-S453 PolarHBondContact O-N 3.3Å
452N45.4Very low59.3Low156 Ų15696.2 Ų96.283%0.83457%0.565SS**  trans-93.236.5172.2-100.611.7000112.3S450S450-N452 PolarHBondContact O-N 3.45Å
453S40.6Very low55.8Low102 Ų102100.8 Ų100.871%0.71360%0.604SS**  trans-13753175.263.60000112.1N451N451-S453 VanDerWaalsContact C-N 3.26Å; N451-S453 PolarHBondContact O-N 3.3Å
454L38Very low52.2Low163 Ų163105.3 Ų105.385%0.85364%0.641SS**  trans-146.577.7157.8-82.6172.4000107.6
455N29.2Very low48.5Very low159 Ų159109.8 Ų109.885%0.8568%0.679SS**  trans-169.262.5153.3-94.4-11.6000107.8T457N455-T457 PolarHBondContact O-N 3.46Å
456V33.7Very low44.9Very low144 Ų144113.9 Ų113.987%0.87371%0.713SS**  trans-75.5106.2148.21780000104.3S458V456-S458 PolarHBondContact O-N 3.48Å
457T31.5Very low41.3Very low118 Ų118117.6 Ų117.672%0.72474%0.74SS**  trans-42.1111.4179.839.80000112.9N455N455-T457 PolarHBondContact O-N 3.46Å
458S23.6Very low37.8Very low121 Ų121119.9 Ų119.985%0.84676%0.764SS**  trans-93.686.2155.555.70000109.1V456V456-S458 PolarHBondContact O-N 3.48Å
459S27.6Very low34.3Very low90 Ų90119 Ų11963%0.62978%0.775SS**  trans-166.889.8157.845.50000106.6
460S24.4Very low31.1Very low107 Ų107115 Ų11575%0.74877%0.772SS**  77127.394.166.60000114.2
461S23.8Very low28.3Very low110 Ų110116 Ų11677%0.76978%0.779SS**  trans76.296.216153.80000120.2
462A22.5Very low26.7Very low102 Ų102114.7 Ų114.784%0.84378%0.779SS**  64.3107.1108.100000119.6
463A23.6Very low25.5Very low98 Ų98112 Ų11281%0.8177%0.772SS**  170.2105129.500000106.4
464A22.1Very low24.6Very low95 Ų95112.5 Ų112.579%0.78578%0.776SS**  107.8116.17900000109.8
465A20.8Very low23.8Very low98 Ų98109.7 Ų109.781%0.8177%0.77SS**  trans76.4120.2138.800000120.7
466A21.4Very low23.6Very low87 Ų87108.8 Ų108.872%0.71977%0.77SS**  116.7124.4119.500000117.7
467S22Very low22.9Very low102 Ų102107.6 Ų107.671%0.71376%0.762SS**  trans77.9101139.758.90000116.2
468S21.9Very low22.5Very low109 Ų109108.8 Ų108.876%0.76277%0.77SS**  73.4140.792.971.90000112.5
469S21.1Very low22.3Very low101 Ų101109.5 Ų109.571%0.70677%0.769SS**  cis177.1170.51390000104.7
470S22.6Very low22.1Very low112 Ų112108.5 Ų108.578%0.78377%0.773SS**  trans85.2108.3154.968.50000120
471S19.5Very low22.1Very low116 Ų116109.6 Ų109.681%0.81178%0.781SS**  trans-66.3159.4150.9-36.90000112.5
472P26.2Very low21.9Very low118 Ų118111.1 Ų111.177%0.76678%0.78SS**  -137.5124.6125.428.5-11.8000110.7
473S19.6Very low22Very low100 Ų100113 Ų11370%0.69978%0.781SS**  71.712078.274.50000116.7
474S21Very low21.9Very low113 Ų113114.5 Ų114.579%0.7978%0.775SS**  trans70.5144.2153.378.10000117
475S21.6Very low22Very low104 Ų104119 Ų11973%0.72778%0.779SS**  cis-175.2171.38.234.90000109
476V25Very low22.1Very low140 Ų140120.9 Ų120.985%0.84878%0.776SS**  trans110.3125.1156.3-1690000117.8
477V19Very low22Very low118 Ų118122.6 Ų122.672%0.71578%0.777SS**  trans-83.2145.3-175.2165.10000111.2
478T23.1Very low22.1Very low144 Ų144122.9 Ų122.988%0.88378%0.78SS**  trans-166.9144134.612.70000111.8
479T19.8Very low22Very low135 Ų135124.4 Ų124.483%0.82878%0.777SS**  trans-71.3134.6-170.7470000114.3
480G22.9Very low22.1Very low70 Ų70127 Ų12772%0.72278%0.783SS**  trans-163.1121.9167.600000110.4
481S24.7Very low22Very low130 Ų130129.2 Ų129.291%0.90978%0.781SS**  trans-55.6134-164.8-48.40000115.3V483S481-V483 PolarHBondContact O-N 2.93Å
482N20.4Very low22.1Very low141 Ų141130.3 Ų130.375%0.75478%0.778SS**  trans-59.4119176-72.8-40.4000113.2
483V24.4Very low21.9Very low143 Ų143131.7 Ų131.787%0.86778%0.778SS**  trans-137.194.3136.9-177.50000107.3S481S481-V483 PolarHBondContact O-N 2.93Å
484L21Very low22.1Very low128 Ų128132.2 Ų132.267%0.6777%0.774SS**  trans-72.1124.4169.9-81.4144.9000109.5
485H24.9Very low22.4Very low190 Ų190135.1 Ų135.188%0.8878%0.78SS**  trans-138.8116137.3-109.1-70.8000109
486N21.2Very low22.7Very low138 Ų138135.5 Ų135.574%0.73877%0.774SS**  trans-40.1134.2-169.8-69.6-27.1000117.3
487T19.7Very low23Very low122 Ų122132 Ų13275%0.74875%0.753SS**  trans-60.9135147.2410000112
488S23.8Very low23.8Very low109 Ų109129 Ų12976%0.76274%0.735SS**  trans-136.689135.859.90000108.8L490S488-L490 VanDerWaalsContact C-N 3.34Å; S488-L490 PolarHBondContact O-N 2.96Å; S488-L490 VanDerWaalsContact O-N 3.09Å
489I21Very low24.9Very low140 Ų140123.2 Ų123.272%0.71870%0.702SS**  trans-71.394.8164.9-62.6170.2000105.8Q491I489-Q491 HydrophobicContact CG2-CG 3.99Å; I489-Q491 PolarHBondContact O-N 3.19Å
490L22.3Very low27.1Very low157 Ų157117 Ų11782%0.82266%0.664SS**  trans-79.195.4157.2-85.9160.1000106.8S488 N492S488-L490 VanDerWaalsContact C-N 3.34Å; S488-L490 PolarHBondContact O-N 2.96Å; S488-L490 VanDerWaalsContact O-N 3.09Å; L490-N492 PolarHBondContact O-N 3.43Å
491Q20.2Very low29.5Very low158 Ų158113.7 Ų113.774%0.73863%0.63SS**  trans-62.189.3159.3-83.3-177.5-13.900107.8I489 N493I489-Q491 HydrophobicContact CG2-CG 3.99Å; I489-Q491 PolarHBondContact O-N 3.19Å; Q491-N493 PolarHBondContact O-N 3.33Å
492N22.3Very low31.5Very low139 Ų139107.5 Ų107.574%0.74359%0.586SS**  trans-89.295.2156-120.8-7.8000106.5L490 N494L490-N492 PolarHBondContact O-N 3.43Å; N492-N494 PolarHBondContact O-N 3.17Å
493N22.2Very low33.4Very low146 Ų146100.9 Ų100.978%0.78155%0.551SS**  trans-66.278164.2-86.9-15.4000108.4Q491Q491-N493 PolarHBondContact O-N 3.33Å
494N24.5Very low34.4Very low112 Ų11294.4 Ų94.460%0.59951%0.511SS*.  trans-138.4110.5158.3-90.5-27.1000106.3N492 N496N492-N494 PolarHBondContact O-N 3.17Å; N494-N496 PolarHBondContact O-N 2.8Å
495N26.2Very low35.4Very low173 Ų17389.2 Ų89.293%0.92549%0.486SS*.  trans-68.644.2173.2-79.9-23.7000112
496N28.4Very low35.9Very low112 Ų11283.6 Ų83.660%0.59946%0.462SS*.  trans-91.6103.5171.6-71-13.3000107.2N494 T498N494-N496 PolarHBondContact O-N 2.8Å; N496-T498 PolarHBondContact O-N 2.89Å; N496-T498 VanDerWaalsContact O-N 3.14Å
497T31.7Very low36.9Very low68 Ų6880.8 Ų80.842%0.41745%0.448SS..  trans-60.9117.8169.949.20000108.6D259 N351D259-T497 VanDerWaalsContact OD2-CB 3.25Å; D259-T497 WeakPolarHBondContact OD2-CB 3.29Å; D259-T497 PolarHBondContact OD2-OG1 2.71Å; D259-T497 VanDerWaalsContact OD2-OG1 3.04Å; N351-T497 PolarHBondContact ND2-O 2.93Å
498T35.6Very low37.3Very low53 Ų5380.5 Ų80.533%0.32544%0.438SS..  trans-73.7140.8171.349.50000108.3S258 D259 Q353 N496S258-T498 CarbonylContact C-O 3.52Å; S258-T498 WeakPolarHBondContact CA-O 3.36Å; S258-T498 WeakPolarHBondContact CB-O 3.41Å; S258-T498 WeakPolarHBondContact CB-OG1 3.22Å; D259-T498 PolarHBondContact N-O 3.07Å; Q353-T498 HydrophobicContact CG-CG2 4.07Å; N496-T498 PolarHBondContact O-N 2.89Å; N496-T498 VanDerWaalsContact O-N 3.14Å
499A46Very low37.6Very low23 Ų2380.8 Ų80.819%0.1943%0.43CS..EExtended strand (participates in β ladder)trans-109.1134.2178.400000110.9D259 N351 V352 Q353D259-A499 CarbonylContact O-C 3.6Å; D259-A499 VanDerWaalsContact O-CA 3.27Å; D259-A499 WeakPolarHBondContact O-CA 3.18Å; N351-A499 PolarHBondContact O-N 3.15Å; V352-A499 WeakPolarHBondContact CA-O 3.37Å; Q353-A499 PolarHBondContact N-O 2.91Å
500S65.7Low38Very low4 Ų478.3 Ų78.33%0.02842%0.417CS..EExtended strand (participates in β ladder)trans-119.4129.3172.9-62.90000109.8D259 V260 L261 R354D259-S500 PolarHBondContact O-N 3.21Å; V260-S500 CarbonylContact C-O 3.57Å; V260-S500 WeakPolarHBondContact CA-O 3.3Å; L261-S500 PolarHBondContact N-O 2.88Å; R354-S500 WeakPolarHBondContact O-CA 3.29Å
501I73.3Confident38.4Very low2 Ų277.2 Ų77.21%0.0141%0.412CS..EExtended strand (participates in β ladder)trans-113.8135.3-171.5-54.2-179.5000110.4L261 A346 F349 V352 R354 V355 V356 V503L261-I501 HydrophobicContact CB-CB 4.5Å; L261-I501 HydrophobicContact CB-CG1 4.1Å; L261-I501 HydrophobicContact CB-CG2 4.17Å; L261-I501 HydrophobicContact CD2-CD1 4.21Å; L261-I501 HydrophobicContact CD2-CG1 4.42Å; L261-I501 HydrophobicContact CD2-CG2 4.05Å; L261-I501 HydrophobicContact CG-CG2 4.16Å; L261-I501 CarbonylContact O-C 3.57Å; L261-I501 WeakPolarHBondContact O-CA 3.45Å; A346-I501 HydrophobicContact CB-CD1 3.78Å; A346-I501 HydrophobicContact CB-CG2 4.04Å; A346-I501 WeakPolarHBondContact O-CD1 3.22Å; F349-I501 HydrophobicContact CD2-CD1 3.49Å; F349-I501 VanDerWaalsContact CD2-CD1 3.49Å; F349-I501 HydrophobicContact CE2-CD1 4.11Å; F349-I501 HydrophobicContact CG-CD1 4.33Å; V352-I501 HydrophobicContact CB-CD1 4.22Å; V352-I501 HydrophobicContact CG2-CD1 3.64Å; V352-I501 HydrophobicContact CG2-CG1 3.77Å; R354-I501 PolarHBondContact O-N 3.48Å; V355-I501 CarbonylContact C-O 3.53Å; V355-I501 WeakPolarHBondContact CA-O 3.48Å; V355-I501 HydrophobicContact CG1-CB 4.46Å; V355-I501 HydrophobicContact CG2-CB 4.35Å; V356-I501 PolarHBondContact N-O 3.31Å; I501-V503 HydrophobicContact CG2-CG2 4.02Å
502V66.8Low39.2Very low0 Ų074.6 Ų74.60%040%0.403CS..EExtended strand (participates in β ladder)trans-109.5123.3165.4-177.30000108.6L252 L261 A263 L274 V356L252-V502 HydrophobicContact CD1-CG2 4.34Å; L252-V502 HydrophobicContact CD2-CG2 3.49Å; L252-V502 VanDerWaalsContact CD2-CG2 3.49Å; L252-V502 HydrophobicContact CG-CG2 4.33Å; L261-V502 PolarHBondContact O-N 3.37Å; A263-V502 PolarHBondContact N-O 3.34Å; L274-V502 HydrophobicContact CD1-CB 4.42Å; L274-V502 HydrophobicContact CD1-CG2 3.78Å; L274-V502 HydrophobicContact CD2-CG2 4.34Å; V356-V502 WeakPolarHBondContact O-CA 3.47Å
503V59.4Low39.5Very low2 Ų274.6 Ų74.61%0.01240%0.403CS..EExtended strand (participates in β ladder)trans-109.1116.9168.2-175.50000107.6A263 L342 L343 A346 V356 Y357 S358 I501A263-V503 HydrophobicContact CB-CG2 4.15Å; L342-V503 HydrophobicContact CB-CG1 4.33Å; L343-V503 HydrophobicContact CD2-CB 4.04Å; L343-V503 HydrophobicContact CD2-CG1 4.45Å; L343-V503 HydrophobicContact CD2-CG2 3.83Å; A346-V503 HydrophobicContact CB-CG2 4.42Å; V356-V503 PolarHBondContact O-N 3.5Å; Y357-V503 HydrophobicContact CD2-CB 4.3Å; Y357-V503 HydrophobicContact CD2-CG1 4.28Å; S358-V503 PolarHBondContact N-O 2.91Å; I501-V503 HydrophobicContact CG2-CG2 4.02Å
504N46.2Very low40Very low6 Ų677.4 Ų77.43%0.03241%0.408CS..  trans-111162174.1-172.423.4000109.6C264 K270 S358C264-N504 HydrophobicContact CB-CB 4.28Å; C264-N504 WeakPolarHBondContact CB-O 3.24Å; C264-N504 PolarHBondContact SG-O 3.34Å; K270-N504 PolarHBondContact NZ-ND2 3.49Å; K270-N504 VanDerWaalsContact NZ-ND2 3.18Å; S358-N504 WeakPolarHBondContact O-CA 3.36Å
505S41.6Very low40.4Very low20 Ų2077.5 Ų77.514%0.1441%0.405CS..  trans-141.2118.2170.2177.30000110.1Q339 S358Q339-S505 PolarHBondContact NE2-OG 2.98Å; S358-S505 PolarHBondContact O-N 3.42Å
506N35.7Very low40.5Very low71 Ų7176.1 Ų76.138%0.3839%0.393SS..  trans-133.5104.8166.9-79.9-18.6000106.6C360C360-N506 PolarHBondContact SG-OD1 3.19Å
507N42Very low40.7Very low80 Ų8076.2 Ų76.243%0.42839%0.393SS..  trans-148.9119.1176.3-94.3-35.4000115.1R331R331-N507 PolarHBondContact NH2-O 3.37Å
508E28.3Very low40.9Very low116 Ų11676.4 Ų76.454%0.54239%0.388SS..  trans-120.497157.8-74.3-176.4-166.200106.9
509N30.7Very low41Very low114 Ų11478 Ų7861%0.6140%0.397SS*.  trans162.8140.7146.1-79.7-20.9000110.9
510M29.9Very low40.9Very low88 Ų8882.2 Ų82.243%0.43341%0.412SS..  trans-135.1122.5-175.6-83.2-76.2-117.900110.1R334 L512R334-M510 HydrophobicContact CB-CE 4.16Å; R334-M510 HydrophobicContact CG-CE 4.43Å; M510-L512 HydrophobicContact CE-CD1 4.35Å
511N30.5Very low39.8Very low135 Ų13587.5 Ų87.572%0.72243%0.434SS*.  trans-144.7145.9132-149.3-9.9000107.8R289R289-N511 PolarHBondContact NH2-O 2.97Å; R289-N511 VanDerWaalsContact NH2-O 3.16Å
512L36.7Very low38.8Very low103 Ų10389.6 Ų89.654%0.53945%0.445SS..  trans-97.8-2.2-161.7-95.3159.3000115.3M510M510-L512 HydrophobicContact CE-CD1 4.35Å
513D29.3Very low37.5Very low139 Ų13997 Ų9774%0.74347%0.473SS*.SBendtrans-98.2118.1-175.4-62.7-33.2000111
514K32.2Very low36.4Very low204 Ų204100.1 Ų100.189%0.88749%0.486SS*.  trans8398.3179.5-51.4177-178.2-179.30114.4
515Q32Very low35.8Very low114 Ų114108.4 Ų108.453%0.53352%0.522SS..  trans-106.4117.9172.7-68.4-178.66.600109.8
516E29.7Very low35.1Very low145 Ų145113 Ų11368%0.67855%0.552SS**  trans-99.6114.2159.4-72.4-177.1164.300107.5F518E516-F518 HydrophobicContact CB-CD2 4.42Å; E516-F518 HydrophobicContact CB-CE2 3.61Å; E516-F518 HydrophobicContact CB-CZ 3.83Å; E516-F518 WeakPolarHBondContact OE2-CZ 3.28Å
517L31Very low34.9Very low114 Ų114121.1 Ų121.160%0.59758%0.578SS**  trans-87.9119.7174.4-130.997.6000108V287V287-L517 HydrophobicContact CG1-CD2 3.89Å; V287-L517 HydrophobicContact CG1-CG 4.4Å
518F36.7Very low34.5Very low72 Ų72122.7 Ų122.732%0.31659%0.591SS.*EExtended strand (participates in β ladder)trans-99.7122.3176.8-65-85.7000109.9P291 E516 F520P291-F518 HydrophobicContact CB-CD2 4.13Å; P291-F518 HydrophobicContact CB-CE2 3.79Å; P291-F518 HydrophobicContact CB-CZ 4.32Å; P291-F518 HydrophobicContact CG-CE2 4.06Å; E516-F518 HydrophobicContact CB-CD2 4.42Å; E516-F518 HydrophobicContact CB-CE2 3.61Å; E516-F518 HydrophobicContact CB-CZ 3.83Å; E516-F518 WeakPolarHBondContact OE2-CZ 3.28Å; F518-F520 HydrophobicContact CB-CE2 3.98Å
519T37.9Very low34.5Very low85 Ų85125 Ų12552%0.52161%0.606SS.*EExtended strand (participates in β ladder)trans-109.6114.4173.4-58.40000108.8V287V287-T519 HydrophobicContact CG2-CG2 4.28Å
520F43.6Very low34.4Very low112 Ų112126.1 Ų126.149%0.49161%0.612SS.*EExtended strand (participates in β ladder)trans-95.1126170.9-64.4-87.7000109.4V286 F518V286-F520 HydrophobicContact CB-CB 4.38Å; V286-F520 PolarHBondContact N-O 2.82Å; V286-F520 PolarHBondContact O-N 2.69Å; F518-F520 HydrophobicContact CB-CE2 3.98Å
521K42.8Very low34.7Very low116 Ų116128 Ų12850%0.50462%0.621SS.*EExtended strand (participates in β ladder)trans-97.3101.3171-172.2178.1-174170.80108.6T283 F285T283-K521 HydrophobicContact CG2-CD 4.22Å; T283-K521 HydrophobicContact CG2-CG 3.56Å; F285-K521 HydrophobicContact CE1-CD 4.37Å; F285-K521 HydrophobicContact CE1-CG 4.28Å
522I51.1Low34.9Very low45 Ų45127.6 Ų127.623%0.23162%0.615CS.*EExtended strand (participates in β ladder)trans-94106.1174.8-54.5175.5000107.2I284 V286 L530I284-I522 HydrophobicContact CG2-CB 3.78Å; I284-I522 HydrophobicContact CG2-CG2 4.37Å; I284-I522 PolarHBondContact N-O 3.22Å; I284-I522 PolarHBondContact O-N 3.43Å; V286-I522 HydrophobicContact CG2-CD1 4.01Å; I522-L530 HydrophobicContact CG2-CD1 3.99Å
523R40Very low34.8Very low156 Ų156129 Ų12959%0.58962%0.62SS**EExtended strand (participates in β ladder)trans-86.7131.9159.4-79.8-177.9173.2157.5-5.3107.3T283 K525T283-R523 HydrophobicContact CG2-CG 4.42Å; R523-K525 PolarHBondContact O-N 3.39Å
524K37.2Very low35.1Very low67 Ų67128.4 Ų128.429%0.29161%0.612SS.*SBendtrans-71.663.5173.6-170175.3176.3173.70110.1I275 L278 N280I275-K524 PolarHBondContact O-NZ 3.11Å; L278-K524 PolarHBondContact O-NZ 3.46Å; N280-K524 WeakPolarHBondContact OD1-CD 3.49Å; N280-K524 WeakPolarHBondContact OD1-CE 3.45Å; N280-K524 VanDerWaalsContact OD1-CG 3.26Å; N280-K524 WeakPolarHBondContact OD1-CG 3.46Å
525K33.5Very low35.3Very low180 Ų180123.7 Ų123.778%0.78360%0.595SS**  trans-120.765.8169.6-84.5-165.9175.6-173.30108.4R523R523-K525 PolarHBondContact O-N 3.39Å
526C27.1Very low35.5Very low116 Ų116124.3 Ų124.378%0.78460%0.599SS**  trans-180112.1151.1-100.30000108.3T528C526-T528 PolarHBondContact O-N 3.16Å; C526-T528 VanDerWaalsContact O-N 3.08Å
527R30.7Very low35.9Very low242 Ų242122.9 Ų122.991%0.91359%0.594SS**SBendtrans-74.486.5161.2-80.5-179.5170.4168.8-3.1106.7
528T33.1Very low36.3Very low114 Ų114123.5 Ų123.570%0.69959%0.594SS**SBendtrans158.8127.7152.144.80000108.9C526C526-T528 PolarHBondContact O-N 3.16Å; C526-T528 VanDerWaalsContact O-N 3.08Å
529N28.1Very low36.3Very low163 Ų163127.8 Ų127.887%0.87262%0.617SS**  trans87.548.7173.5-51.6-21.5000118.4
530L30Very low36.1Very low138 Ų138131.7 Ų131.772%0.72363%0.625SS**  trans-112.80146.5-97.8159000109.4I522I522-L530 HydrophobicContact CG2-CD1 3.99Å

Retrieved 530 of 530 residues in 783.6 ms (Link to these results)

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