Q9AG16_MOUSE Loading...

Map kinase phosphatase-M B1 isoform

AlphaFold DB , UniProt , Accession Q9AG16, Species MOUSE (Mus musculus, Mouse), Gene Dusp16, Length 355 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
1M30.6Very low59.9Low238 Ų238106.3 Ų106.3100%1.17257%0.568SS**  091.10-61.1-64.7-142.100107.5H3M1-H3 PolarHBondContact O-N 3.03Å
2A31.9Very low62.4Low103 Ų10397.4 Ų97.485%0.85152%0.521SS*.  trans-71111.9172.700000106.8E4A2-E4 PolarHBondContact O-N 3.31Å
3H40.3Very low64.5Low186 Ų18697.8 Ų97.886%0.86152%0.517SS*.  trans-67112.2168.6-120.1-86.8000106.2M1 M5M1-H3 PolarHBondContact O-N 3.03Å; H3-M5 PolarHBondContact O-N 3.46Å; H3-M5 VanDerWaalsContact O-N 3.12Å
4E42.8Very low66.4Low168 Ų16894.8 Ų94.879%0.78551%0.508SS*.  trans-55115.6166-86.7175.9141.900107.7A2 I6A2-E4 PolarHBondContact O-N 3.31Å; E4-I6 HydrophobicContact CB-CG1 4.46Å; E4-I6 PolarHBondContact O-N 2.83Å; E4-I6 VanDerWaalsContact O-N 3.12Å
5M50Low68.1Low61 Ų6188.5 Ų88.530%0.347%0.474SS..  trans-74.798171.5-62.1-153.3-4000107.5H3 G7 V95 T105 L108H3-M5 PolarHBondContact O-N 3.46Å; H3-M5 VanDerWaalsContact O-N 3.12Å; M5-G7 PolarHBondContact O-N 3.29Å; M5-G7 VanDerWaalsContact O-N 3.1Å; M5-V95 HydrophobicContact CB-CG1 4.49Å; M5-V95 HydrophobicContact CE-CG1 3.69Å; M5-T105 HydrophobicContact CE-CG2 3.39Å; M5-T105 HydrophobicContact SD-CG2 3.86Å; M5-L108 HydrophobicContact CE-CB 4.44Å
6I50.9Low69.4Low142 Ų14283.3 Ų83.373%0.72845%0.447SS*.  trans-85.967.4171.5-50.8173.6000107.3E4 T8E4-I6 HydrophobicContact CB-CG1 4.46Å; E4-I6 PolarHBondContact O-N 2.83Å; E4-I6 VanDerWaalsContact O-N 3.12Å; I6-T8 PolarHBondContact O-N 3.44Å
7G56.8Low70.4Confident13 Ų1381.7 Ų81.713%0.13445%0.448CS..  trans-78.9114.3169.300000108.8M5M5-G7 PolarHBondContact O-N 3.29Å; M5-G7 VanDerWaalsContact O-N 3.1Å
8T79.7Confident71.3Confident70 Ų7078.7 Ų78.743%0.42943%0.431SS..EExtended strand (participates in β ladder)trans-68148.3173.336.20000110.4I6 V118 H119 L120I6-T8 PolarHBondContact O-N 3.44Å; T8-V118 PolarHBondContact OG1-O 3.26Å; T8-H119 WeakPolarHBondContact CB-ND1 3.19Å; T8-H119 CarbonylContact O-C 3.59Å; T8-H119 WeakPolarHBondContact O-CA 3.14Å; T8-H119 PolarHBondContact OG1-CE1 2.97Å; T8-H119 PolarHBondContact OG1-ND1 3.48Å; T8-L120 PolarHBondContact O-N 3.23Å
9Q88.8Confident71.9Confident101 Ų10178.2 Ų78.247%0.47243%0.427SS..EExtended strand (participates in β ladder)trans-100146176.7-72.6161.546.700109.8Q93 L120Q9-Q93 PolarHBondContact OE1-O 3.12Å; Q9-L120 WeakPolarHBondContact CA-O 3.38Å
10I93.4Very high72.4Confident14 Ų1481.6 Ų81.67%0.07244%0.44CS..EExtended strand (participates in β ladder)trans-120.4133.5169.8-168.6169000109L15 L18 V86 H119 L120 L121 A122I10-L15 HydrophobicContact CD1-CB 4.29Å; I10-L18 HydrophobicContact CD1-CD1 3.5Å; I10-L18 VanDerWaalsContact CD1-CD1 3.5Å; I10-V86 HydrophobicContact CG2-CG1 3.7Å; I10-V86 HydrophobicContact CG2-CG2 4.2Å; I10-H119 HydrophobicContact CB-CB 4.15Å; I10-H119 HydrophobicContact CG2-CB 3.9Å; I10-L120 PolarHBondContact N-O 3.35Å; I10-L121 HydrophobicContact CG2-CD1 4.2Å; I10-L121 WeakPolarHBondContact O-CA 3.39Å; I10-A122 PolarHBondContact O-N 3.25Å
11V93.8Very high72.7Confident73 Ų7380.4 Ų80.444%0.44244%0.438SS..  trans-84.6159.9174.7-62.30000110.8E13 S14 L15V11-E13 VanDerWaalsContact C-N 3.33Å; V11-E13 PolarHBondContact O-N 3.22Å; V11-S14 WeakPolarHBondContact CG2-OG 3.35Å; V11-S14 PolarHBondContact O-N 3.27Å; V11-S14 VanDerWaalsContact O-N 3.15Å; V11-L15 PolarHBondContact O-N 3.17Å; V11-L15 VanDerWaalsContact O-N 3.1Å
12T90.3Very high74.4Confident0 Ų072.3 Ų72.30%042%0.416CS..Hα-helixtrans-54.2-45.8-173.8-47.60000113.3S14 L15 V16 F128 C131 F132T12-S14 VanDerWaalsContact C-N 3.33Å; T12-S14 PolarHBondContact O-N 3.01Å; T12-L15 PolarHBondContact O-N 3.37Å; T12-V16 WeakPolarHBondContact O-CG2 3.28Å; T12-V16 PolarHBondContact O-N 2.96Å; T12-V16 VanDerWaalsContact O-N 3.07Å; T12-F128 HydrophobicContact CG2-CB 3.9Å; T12-F128 HydrophobicContact CG2-CD2 3.41Å; T12-F128 VanDerWaalsContact CG2-CD2 3.41Å; T12-F128 HydrophobicContact CG2-CE2 4.14Å; T12-F128 HydrophobicContact CG2-CG 3.88Å; T12-C131 HydrophobicContact CG2-CB 4.36Å; T12-F132 HydrophobicContact CG2-CD2 3.33Å; T12-F132 HydrophobicContact CG2-CE2 3.32Å
13E89Confident75.9Confident102 Ų10273 Ų7348%0.47741%0.41SS..Hα-helixtrans-63.9-39.5-178.3-63.571.3-15900111.5V11 V16 A17 F132V11-E13 VanDerWaalsContact C-N 3.33Å; V11-E13 PolarHBondContact O-N 3.22Å; E13-V16 PolarHBondContact O-N 2.85Å; E13-A17 PolarHBondContact O-N 3.17Å; E13-F132 HydrophobicContact CG-CZ 4.3Å
14S90.8Very high77.2Confident56 Ų5668.5 Ų68.539%0.39239%0.389SS..Hα-helixtrans-68.4-37.7177.3-58.60000112V11 T12 A17 L18V11-S14 WeakPolarHBondContact CG2-OG 3.35Å; V11-S14 PolarHBondContact O-N 3.27Å; V11-S14 VanDerWaalsContact O-N 3.15Å; T12-S14 VanDerWaalsContact C-N 3.33Å; T12-S14 PolarHBondContact O-N 3.01Å; S14-A17 PolarHBondContact O-N 3.46Å; S14-L18 WeakPolarHBondContact O-CG 3.27Å; S14-L18 PolarHBondContact O-N 3.35Å; S14-L18 VanDerWaalsContact O-N 3.15Å
15L91.6Very high78.7Confident0 Ų066.3 Ų66.30%038%0.377CS..Hα-helixtrans-62.7-44173.5174.559.3000111I10 V11 T12 L18 L19 V26 L28 I42 V86 L121 F128I10-L15 HydrophobicContact CD1-CB 4.29Å; V11-L15 PolarHBondContact O-N 3.17Å; V11-L15 VanDerWaalsContact O-N 3.1Å; T12-L15 PolarHBondContact O-N 3.37Å; L15-L18 WeakPolarHBondContact O-CB 3.2Å; L15-L18 PolarHBondContact O-N 3.37Å; L15-L19 HydrophobicContact CD1-CD1 4.25Å; L15-L19 HydrophobicContact CD1-CG 4.14Å; L15-L19 HydrophobicContact CG-CD1 4.1Å; L15-L19 HydrophobicContact CG-CG 4.43Å; L15-L19 WeakPolarHBondContact O-CG 3.17Å; L15-L19 PolarHBondContact O-N 2.78Å; L15-V26 HydrophobicContact CD1-CG1 4.42Å; L15-L28 HydrophobicContact CD1-CD1 4.34Å; L15-L28 HydrophobicContact CD2-CD1 4.05Å; L15-I42 HydrophobicContact CD2-CD1 4.19Å; L15-V86 HydrophobicContact CD1-CB 4.37Å; L15-V86 HydrophobicContact CD1-CG1 4.27Å; L15-V86 HydrophobicContact CD1-CG2 4.17Å; L15-V86 HydrophobicContact CD2-CG1 4.25Å; L15-L121 HydrophobicContact CB-CD1 4.18Å; L15-L121 HydrophobicContact CD2-CD1 3.81Å; L15-L121 HydrophobicContact CD2-CD2 3.88Å; L15-L121 HydrophobicContact CD2-CG 4.43Å; L15-F128 HydrophobicContact CD2-CD2 3.9Å; L15-F128 HydrophobicContact CD2-CE2 3.66Å; L15-F128 HydrophobicContact CG-CE2 4.09Å
16V89.4Confident80.6Confident6 Ų664.7 Ų64.74%0.03637%0.371CS..Hα-helixtrans-63-44.8178.7173.40000111.5T12 E13 L18 L19 E20 F128 F132 L135T12-V16 WeakPolarHBondContact O-CG2 3.28Å; T12-V16 PolarHBondContact O-N 2.96Å; T12-V16 VanDerWaalsContact O-N 3.07Å; E13-V16 PolarHBondContact O-N 2.85Å; V16-L18 PolarHBondContact O-N 3.3Å; V16-L19 PolarHBondContact O-N 3.34Å; V16-E20 HydrophobicContact CG1-CG 4.15Å; V16-E20 WeakPolarHBondContact O-CB 3.39Å; V16-E20 WeakPolarHBondContact O-CG 3.39Å; V16-E20 PolarHBondContact O-N 3.32Å; V16-F128 HydrophobicContact CG2-CE2 3.77Å; V16-F128 HydrophobicContact CG2-CZ 3.99Å; V16-F132 HydrophobicContact CB-CD1 4.43Å; V16-F132 HydrophobicContact CB-CE1 4.18Å; V16-F132 HydrophobicContact CB-CZ 4.27Å; V16-F132 HydrophobicContact CG1-CD1 4.17Å; V16-F132 HydrophobicContact CG1-CE1 4.01Å; V16-F132 HydrophobicContact CG2-CB 4.33Å; V16-F132 HydrophobicContact CG2-CD1 3.73Å; V16-F132 HydrophobicContact CG2-CD2 3.64Å; V16-F132 HydrophobicContact CG2-CE1 3.84Å; V16-F132 HydrophobicContact CG2-CE2 3.78Å; V16-F132 HydrophobicContact CG2-CG 3.62Å; V16-F132 HydrophobicContact CG2-CZ 3.87Å; V16-L135 HydrophobicContact CB-CD1 4.41Å; V16-L135 HydrophobicContact CG1-CD1 3.84Å; V16-L135 HydrophobicContact CG2-CD1 3.82Å
17A86.8Confident82.7Confident56 Ų5658.4 Ų58.446%0.46334%0.338SS..Hα-helixtrans-56.9-36.9175.600000112.5E13 S14 S21E13-A17 PolarHBondContact O-N 3.17Å; S14-A17 PolarHBondContact O-N 3.46Å; A17-S21 WeakPolarHBondContact O-CB 3.45Å; A17-S21 PolarHBondContact O-N 3.34Å
18L86.3Confident84.5Confident27 Ų2758.2 Ų58.214%0.14133%0.334CS..Hα-helixtrans-70.4-39.7175.1-69.6170.4000112.9I10 S14 L15 V16 E20 S21 E24 V26 K84I10-L18 HydrophobicContact CD1-CD1 3.5Å; I10-L18 VanDerWaalsContact CD1-CD1 3.5Å; S14-L18 WeakPolarHBondContact O-CG 3.27Å; S14-L18 PolarHBondContact O-N 3.35Å; S14-L18 VanDerWaalsContact O-N 3.15Å; L15-L18 WeakPolarHBondContact O-CB 3.2Å; L15-L18 PolarHBondContact O-N 3.37Å; V16-L18 PolarHBondContact O-N 3.3Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-S21 PolarHBondContact O-OG 3.07Å; L18-E24 WeakPolarHBondContact CD2-OE2 3.46Å; L18-V26 HydrophobicContact CB-CG2 4.06Å; L18-K84 HydrophobicContact CD1-CD 3.68Å
19L83.7Confident85.3Confident69 Ų6954.9 Ų54.936%0.36131%0.313SS..Hα-helixtrans-67-36.2177.4-67.2173.7000111.3L15 V16 I42 F128L15-L19 HydrophobicContact CD1-CD1 4.25Å; L15-L19 HydrophobicContact CD1-CG 4.14Å; L15-L19 HydrophobicContact CG-CD1 4.1Å; L15-L19 HydrophobicContact CG-CG 4.43Å; L15-L19 WeakPolarHBondContact O-CG 3.17Å; L15-L19 PolarHBondContact O-N 2.78Å; V16-L19 PolarHBondContact O-N 3.34Å; L19-I42 HydrophobicContact CD1-CG2 4.48Å; L19-F128 HydrophobicContact CD1-CZ 4.48Å
20E81.4Confident85.7Confident146 Ų14650 Ų5068%0.68229%0.291SS*.Hα-helixtrans-79.4-31.8180-70.5-178.8165.100113.3V16 L18 G22V16-E20 HydrophobicContact CG1-CG 4.15Å; V16-E20 WeakPolarHBondContact O-CB 3.39Å; V16-E20 WeakPolarHBondContact O-CG 3.39Å; V16-E20 PolarHBondContact O-N 3.32Å; L18-E20 VanDerWaalsContact C-N 3.32Å; E20-G22 PolarHBondContact O-N 2.85Å
21S77.7Confident85.8Confident57 Ų5749.5 Ų49.540%0.39929%0.289SS..Hα-helixtrans-65.1-29.4-17876.90000112.5A17 L18 T23A17-S21 WeakPolarHBondContact O-CB 3.45Å; A17-S21 PolarHBondContact O-N 3.34Å; L18-S21 PolarHBondContact O-OG 3.07Å; S21-T23 PolarHBondContact O-N 3.15Å; S21-T23 PolarHBondContact OG-OG1 3.14Å
22G68Low85.7Confident68 Ų6846.4 Ų46.470%0.70127%0.269SS*.  trans62.62.9-179.900000114.8E20E20-G22 PolarHBondContact O-N 2.85Å
23T62.5Low85.2Confident119 Ų11948.8 Ų48.873%0.7328%0.284SS*.SBendtrans-85.1-28.3-17648.30000112.8S21S21-T23 PolarHBondContact O-N 3.15Å; S21-T23 PolarHBondContact OG-OG1 3.14Å
24E66.6Low84.4Confident91 Ų9144.9 Ų44.943%0.42527%0.266SS..SBendtrans-116.7129.8178.4-66.1-173.2167.700110.3L18 V26 K84L18-E24 WeakPolarHBondContact CD2-OE2 3.46Å; E24-V26 PolarHBondContact O-N 2.99Å; E24-V26 VanDerWaalsContact O-N 3.11Å; E24-K84 IonicContact OE1-NZ 3.03Å; E24-K84 WeakPolarHBondContact OE2-CE 3.32Å; E24-K84 IonicContact OE2-NZ 3.65Å; E24-K84 PolarHBondContact OE2-NZ 3.46Å
25K76.3Confident83.3Confident121 Ų12146.8 Ų46.853%0.52628%0.275SS..  trans-78.597.3174-169.6177.2176-163.70109.1D78K25-D78 PolarHBondContact NZ-O 2.74Å
26V89.5Confident82.6Confident28 Ų2850 Ų5017%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-82129.9177.8-178.80000110.1L15 L18 E24 K84 V86L15-V26 HydrophobicContact CD1-CG1 4.42Å; L18-V26 HydrophobicContact CB-CG2 4.06Å; E24-V26 PolarHBondContact O-N 2.99Å; E24-V26 VanDerWaalsContact O-N 3.11Å; V26-K84 CarbonylContact C-O 3.6Å; V26-K84 WeakPolarHBondContact CA-O 3.2Å; V26-V86 HydrophobicContact CG1-CB 4.4Å; V26-V86 HydrophobicContact CG1-CG2 3.96Å
27L93.4Very high82.2Confident10 Ų1050.9 Ų50.95%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-93.5105.6169.9-17567.8000109.4I29 I46 I69 V77 K84 V85 V86 F115L27-I29 HydrophobicContact CD2-CD1 4.27Å; L27-I29 HydrophobicContact CG-CG1 4.36Å; L27-I46 HydrophobicContact CD1-CD1 3.63Å; L27-I69 HydrophobicContact CD1-CG2 4.27Å; L27-I69 HydrophobicContact CD2-CD1 4.01Å; L27-I69 HydrophobicContact CD2-CG2 4.2Å; L27-V77 HydrophobicContact CD1-CG1 4.14Å; L27-K84 PolarHBondContact N-O 3.33Å; L27-V85 HydrophobicContact CB-CG2 4.2Å; L27-V85 HydrophobicContact CD2-CG1 4.4Å; L27-V85 HydrophobicContact CD2-CG2 4.1Å; L27-V85 WeakPolarHBondContact O-CA 3.25Å; L27-V86 PolarHBondContact O-N 3.39Å; L27-F115 HydrophobicContact CD2-CE1 4.2Å; L27-F115 HydrophobicContact CD2-CZ 3.91Å
28L95.1Very high81.5Confident8 Ų849.4 Ų49.44%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-96.1123.9-177.1-169.562.5000111.1L15 I42 A45 I46 V86 Y88L15-L28 HydrophobicContact CD1-CD1 4.34Å; L15-L28 HydrophobicContact CD2-CD1 4.05Å; L28-I42 HydrophobicContact CD2-CB 3.65Å; L28-I42 HydrophobicContact CD2-CD1 4.29Å; L28-I42 HydrophobicContact CD2-CG2 3.38Å; L28-A45 HydrophobicContact CB-CB 4.38Å; L28-A45 HydrophobicContact CD2-CB 3.93Å; L28-A45 HydrophobicContact CG-CB 3.91Å; L28-A45 CarbonylContact O-C 3.52Å; L28-A45 WeakPolarHBondContact O-CA 3.2Å; L28-I46 PolarHBondContact O-N 3.36Å; L28-V86 CarbonylContact C-O 3.56Å; L28-V86 WeakPolarHBondContact CA-O 3.34Å; L28-V86 HydrophobicContact CD1-CB 3.85Å; L28-V86 HydrophobicContact CD1-CG1 3.9Å; L28-Y88 HydrophobicContact CD1-CD1 3.92Å; L28-Y88 HydrophobicContact CD1-CE1 4Å; L28-Y88 HydrophobicContact CD2-CE1 4.27Å; L28-Y88 HydrophobicContact CG-CD1 4.32Å; L28-Y88 HydrophobicContact CG-CE1 3.89Å
29I97Very high80.8Confident0 Ų051.3 Ų51.30%029%0.29CS..EExtended strand (participates in β ladder)trans-119.9120.5-174.9-63177.6000110L27 I46 I48 I69 V85 V86 V87 Y88 L107 L111L27-I29 HydrophobicContact CD2-CD1 4.27Å; L27-I29 HydrophobicContact CG-CG1 4.36Å; I29-I46 WeakPolarHBondContact CA-O 3.36Å; I29-I48 HydrophobicContact CD1-CD1 4.05Å; I29-I48 HydrophobicContact CG1-CD1 4.47Å; I29-I48 HydrophobicContact CG2-CB 4.16Å; I29-I48 HydrophobicContact CG2-CD1 3.71Å; I29-I48 HydrophobicContact CG2-CG1 3.82Å; I29-I69 HydrophobicContact CD1-CD1 4.28Å; I29-I69 HydrophobicContact CD1-CG1 4.38Å; I29-V85 HydrophobicContact CD1-CG1 3.64Å; I29-V85 HydrophobicContact CG1-CG1 4.28Å; I29-V86 PolarHBondContact N-O 3.1Å; I29-V87 HydrophobicContact CB-CG1 4.4Å; I29-V87 HydrophobicContact CB-CG2 4.25Å; I29-V87 HydrophobicContact CG2-CG1 4.18Å; I29-V87 CarbonylContact O-C 3.57Å; I29-V87 WeakPolarHBondContact O-CA 3.49Å; I29-Y88 VanDerWaalsContact O-CD1 3.29Å; I29-Y88 WeakPolarHBondContact O-CD1 3.35Å; I29-Y88 PolarHBondContact O-N 3.14Å; I29-L107 HydrophobicContact CG2-CD2 4.21Å; I29-L111 HydrophobicContact CD1-CD1 3.83Å; I29-L111 HydrophobicContact CD1-CD2 3.69Å; I29-L111 HydrophobicContact CD1-CG 4.44Å
30D96.4Very high80.4Confident0 Ų048.3 Ų48.30%028%0.275CS..EExtended strand (participates in β ladder)trans-91.2115.3169.8-173-47.8000109R32 Y37 A45 I46 N47 I48 Y88D30-R32 WeakPolarHBondContact OD1-CA 3.33Å; D30-R32 WeakPolarHBondContact OD1-CB 3.43Å; D30-R32 WeakPolarHBondContact OD1-CG 3.39Å; D30-R32 PolarHBondContact OD1-N 3.35Å; D30-R32 IonicContact OD1-NE 3.27Å; D30-R32 PolarHBondContact OD1-NE 3.48Å; D30-R32 IonicContact OD2-CZ 2.74Å; D30-R32 VanDerWaalsContact OD2-CZ 3.27Å; D30-R32 IonicContact OD2-NE 2.7Å; D30-R32 PolarHBondContact OD2-NE 3.45Å; D30-R32 IonicContact OD2-NH2 3.03Å; D30-R32 PolarHBondContact OD2-NH2 3.39Å; D30-Y37 HydrophobicContact CB-CD2 3.6Å; D30-Y37 HydrophobicContact CB-CE2 4.05Å; D30-Y37 WeakPolarHBondContact OD2-CD2 3.37Å; D30-A45 HydrophobicContact CB-CB 4.34Å; D30-I46 PolarHBondContact N-O 2.82Å; D30-N47 WeakPolarHBondContact O-CA 3.43Å; D30-N47 PolarHBondContact O-ND2 2.79Å; D30-N47 VanDerWaalsContact O-ND2 3.12Å; D30-I48 PolarHBondContact O-N 3.15Å; D30-Y88 HydrophobicContact CB-CE1 3.91Å; D30-Y88 HydrophobicContact CB-CE2 3.94Å; D30-Y88 WeakPolarHBondContact OD2-CE2 3.36Å; D30-Y88 VanDerWaalsContact OD2-CZ 3.3Å; D30-Y88 PolarHBondContact OD2-OH 3.09Å; D30-Y88 VanDerWaalsContact OD2-OH 3.08Å
31S95.6Very high80.8Confident3 Ų341.8 Ų41.82%0.02124%0.244CC..  trans-92.22.5179.1750000113.5C50 Y88 D89S31-C50 WeakPolarHBondContact O-CB 3.19Å; S31-Y88 PolarHBondContact N-O 3.45Å; S31-Y88 PolarHBondContact OG-O 2.94Å; S31-Y88 VanDerWaalsContact OG-O 3.13Å; S31-D89 WeakPolarHBondContact OG-CB 3.47Å
32R91.7Very high81.3Confident8 Ų839.1 Ų39.13%0.0323%0.226CC..SBendtrans-72.4163.1-175.9-59.9-179.7-66155.5-1.4111.3D30 F34 E36 S40 N47 D89 Q90 F125D30-R32 WeakPolarHBondContact OD1-CA 3.33Å; D30-R32 WeakPolarHBondContact OD1-CB 3.43Å; D30-R32 WeakPolarHBondContact OD1-CG 3.39Å; D30-R32 PolarHBondContact OD1-N 3.35Å; D30-R32 IonicContact OD1-NE 3.27Å; D30-R32 PolarHBondContact OD1-NE 3.48Å; D30-R32 IonicContact OD2-CZ 2.74Å; D30-R32 VanDerWaalsContact OD2-CZ 3.27Å; D30-R32 IonicContact OD2-NE 2.7Å; D30-R32 PolarHBondContact OD2-NE 3.45Å; D30-R32 IonicContact OD2-NH2 3.03Å; D30-R32 PolarHBondContact OD2-NH2 3.39Å; R32-F34 PolarHBondContact O-N 3.24Å; R32-E36 HydrophobicContact CB-CB 4.04Å; R32-S40 PolarHBondContact NH2-O 3.19Å; R32-N47 PolarHBondContact O-ND2 3.29Å; R32-N47 VanDerWaalsContact O-ND2 3.1Å; R32-D89 VanDerWaalsContact CG-C 3.45Å; R32-Q90 VanDerWaalsContact CD-OE1 3.24Å; R32-Q90 HydrophobicContact CG-CB 4.41Å; R32-F125 VanDerWaalsContact NH1-CG 3.29Å
33P80.4Confident82.1Confident50 Ų5039.1 Ų39.133%0.32521%0.209SC..  trans-52.8143.3170.2-25.435.3000111V35 E36 Y37P33-V35 PolarHBondContact O-N 2.9Å; P33-E36 PolarHBondContact O-N 3.04Å; P33-Y37 PolarHBondContact O-N 3.14Å
34F71.4Confident83.1Confident19 Ų1940.1 Ų40.18%0.08321%0.206CC..Hα-helixtrans-46.9-39.5-178.9179.1-93000113.5R32 E36 Y37 N38 N49 F215 A300 W303R32-F34 PolarHBondContact O-N 3.24Å; F34-E36 PolarHBondContact O-N 3.08Å; F34-Y37 PolarHBondContact O-N 3.12Å; F34-N38 VanDerWaalsContact CD1-ND2 3.32Å; F34-N38 WeakPolarHBondContact CD1-ND2 3.33Å; F34-N38 VanDerWaalsContact CD2-ND2 3.33Å; F34-N38 WeakPolarHBondContact CD2-ND2 3.25Å; F34-N38 WeakPolarHBondContact CE1-ND2 3.37Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.47Å; F34-N38 WeakPolarHBondContact CG-ND2 3.27Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.45Å; F34-N38 PolarHBondContact O-N 3.21Å; F34-N38 VanDerWaalsContact O-N 3.08Å; F34-N38 PolarHBondContact O-ND2 3.11Å; F34-N49 HydrophobicContact CB-CB 4.46Å; F34-N49 PolarHBondContact N-OD1 3.02Å; F34-F215 HydrophobicContact CB-CZ 4.28Å; F34-A300 HydrophobicContact CE1-CB 3.79Å; F34-W303 HydrophobicContact CE2-CB 4.27Å; F34-W303 AromaticContact CE2-CD1 3.94Å; F34-W303 HydrophobicContact CE2-CD2 4.04Å; F34-W303 AromaticContact CE2-CG 3.83Å; F34-W303 HydrophobicContact CE2-CG 3.83Å; F34-W303 HydrophobicContact CZ-CB 3.8Å; F34-W303 HydrophobicContact CZ-CD2 4.3Å; F34-W303 AromaticContact CZ-CG 3.86Å; F34-W303 HydrophobicContact CZ-CG 3.86Å
35V68.8Low84.4Confident96 Ų9635.9 Ų35.958%0.58219%0.186SC*.Hα-helixtrans-62.7-40.5179.6179.40000112.1P33 T39P33-V35 PolarHBondContact O-N 2.9Å; V35-T39 PolarHBondContact O-N 2.7Å; V35-T39 PolarHBondContact O-OG1 2.88Å
36E76Confident85.1Confident69 Ų6930.9 Ų30.932%0.32217%0.165SC..Hα-helixtrans-71-41.1-179.8-69.6175.8-152.300111.3R32 P33 F34 T39 S40 Q90R32-E36 HydrophobicContact CB-CB 4.04Å; P33-E36 PolarHBondContact O-N 3.04Å; F34-E36 PolarHBondContact O-N 3.08Å; E36-T39 WeakPolarHBondContact O-CB 3.4Å; E36-T39 PolarHBondContact O-N 3.46Å; E36-S40 PolarHBondContact O-N 3.44Å; E36-S40 VanDerWaalsContact O-O 3.08Å; E36-Q90 PolarHBondContact OE2-OE1 3.09Å
37Y80.6Confident85.2Confident23 Ų2330.2 Ų30.29%0.0916%0.161CC..Hα-helixtrans-58.5-51.9174.4171.3-97.7000112.1D30 P33 F34 T39 S40 H41 A45 N47D30-Y37 HydrophobicContact CB-CD2 3.6Å; D30-Y37 HydrophobicContact CB-CE2 4.05Å; D30-Y37 WeakPolarHBondContact OD2-CD2 3.37Å; P33-Y37 PolarHBondContact O-N 3.14Å; F34-Y37 PolarHBondContact O-N 3.12Å; Y37-T39 PolarHBondContact O-N 3.02Å; Y37-S40 CarbonylContact O-C 3.6Å; Y37-S40 VanDerWaalsContact O-C 3.27Å; Y37-S40 PolarHBondContact O-N 3.14Å; Y37-H41 HydrophobicContact CD2-CB 3.4Å; Y37-H41 AromaticContact CD2-CD2 3.9Å; Y37-H41 AromaticContact CD2-CG 3.51Å; Y37-H41 AromaticContact CD2-ND1 3.96Å; Y37-H41 AromaticContact CE1-CE1 3.99Å; Y37-H41 HydrophobicContact CE2-CB 3.68Å; Y37-H41 AromaticContact CE2-CD2 3.24Å; Y37-H41 WeakPolarHBondContact CE2-CD2 3.35Å; Y37-H41 AromaticContact CE2-CG 3.36Å; Y37-H41 AromaticContact CE2-ND1 3.89Å; Y37-H41 AromaticContact CE2-NE2 3.72Å; Y37-H41 HydrophobicContact CG-CB 4.19Å; Y37-H41 AromaticContact CZ-CD2 3.55Å; Y37-H41 AromaticContact CZ-CE1 3.79Å; Y37-H41 AromaticContact CZ-CG 3.88Å; Y37-H41 AromaticContact CZ-NE2 3.49Å; Y37-H41 PolarHBondContact O-ND1 2.93Å; Y37-H41 PolarHBondContact OH-NE2 3.21Å; Y37-A45 HydrophobicContact CE2-CB 4.33Å; Y37-A45 WeakPolarHBondContact CE2-O 3.25Å; Y37-A45 PolarHBondContact OH-O 3.07Å; Y37-N47 HydrophobicContact CD1-CB 3.64Å; Y37-N47 HydrophobicContact CD2-CB 3.66Å; Y37-N47 HydrophobicContact CE1-CB 3.77Å; Y37-N47 HydrophobicContact CE2-CB 3.77Å; Y37-N47 HydrophobicContact CG-CB 3.56Å
38N72.3Confident85.2Confident25 Ų2529.9 Ų29.913%0.13416%0.159CC..Hα-helixtrans-68.1-20.9179.9-72.2-81.9000112.8F34 E299F34-N38 VanDerWaalsContact CD1-ND2 3.32Å; F34-N38 WeakPolarHBondContact CD1-ND2 3.33Å; F34-N38 VanDerWaalsContact CD2-ND2 3.33Å; F34-N38 WeakPolarHBondContact CD2-ND2 3.25Å; F34-N38 WeakPolarHBondContact CE1-ND2 3.37Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.47Å; F34-N38 WeakPolarHBondContact CG-ND2 3.27Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.45Å; F34-N38 PolarHBondContact O-N 3.21Å; F34-N38 VanDerWaalsContact O-N 3.08Å; F34-N38 PolarHBondContact O-ND2 3.11Å; N38-E299 HydrophobicContact CB-CB 4.3Å; N38-E299 VanDerWaalsContact CB-OE2 3.28Å; N38-E299 WeakPolarHBondContact CB-OE2 3.36Å; N38-E299 VanDerWaalsContact O-OE2 3.1Å; N38-E299 PolarHBondContact OD1-OE2 2.91Å
39T71.8Confident84.4Confident67 Ų6730.7 Ų30.741%0.41116%0.163SC..Hα-helixtrans-64.5-51.2172.2-60.40000111.4V35 E36 Y37 L296V35-T39 PolarHBondContact O-N 2.7Å; V35-T39 PolarHBondContact O-OG1 2.88Å; E36-T39 WeakPolarHBondContact O-CB 3.4Å; E36-T39 PolarHBondContact O-N 3.46Å; Y37-T39 PolarHBondContact O-N 3.02Å; T39-L296 HydrophobicContact CG2-CD2 3.62Å; T39-L296 WeakPolarHBondContact OG1-CD2 3.01Å
40S75.2Confident83.6Confident7 Ų733.2 Ų33.25%0.04918%0.18CC..  trans-172.6140.6175.3-173.10000107.2R32 E36 Y37 F125 E137R32-S40 PolarHBondContact NH2-O 3.19Å; E36-S40 PolarHBondContact O-N 3.44Å; E36-S40 VanDerWaalsContact O-O 3.08Å; Y37-S40 CarbonylContact O-C 3.6Å; Y37-S40 VanDerWaalsContact O-C 3.27Å; Y37-S40 PolarHBondContact O-N 3.14Å; S40-F125 VanDerWaalsContact C-CZ 3.44Å; S40-F125 WeakPolarHBondContact O-CE1 3.4Å; S40-F125 WeakPolarHBondContact O-CZ 3.12Å; S40-F125 WeakPolarHBondContact OG-CZ 3.5Å; S40-E137 VanDerWaalsContact CA-O 3.24Å; S40-E137 WeakPolarHBondContact CA-O 3.5Å; S40-E137 WeakPolarHBondContact CB-O 3.31Å; S40-E137 PolarHBondContact OG-O 2.95Å
41H89.6Confident82.8Confident8 Ų834.6 Ų34.64%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-147.7164.7179.855.4-81.1000108.9Y37 F125 C136 E137Y37-H41 HydrophobicContact CD2-CB 3.4Å; Y37-H41 AromaticContact CD2-CD2 3.9Å; Y37-H41 AromaticContact CD2-CG 3.51Å; Y37-H41 AromaticContact CD2-ND1 3.96Å; Y37-H41 AromaticContact CE1-CE1 3.99Å; Y37-H41 HydrophobicContact CE2-CB 3.68Å; Y37-H41 AromaticContact CE2-CD2 3.24Å; Y37-H41 WeakPolarHBondContact CE2-CD2 3.35Å; Y37-H41 AromaticContact CE2-CG 3.36Å; Y37-H41 AromaticContact CE2-ND1 3.89Å; Y37-H41 AromaticContact CE2-NE2 3.72Å; Y37-H41 HydrophobicContact CG-CB 4.19Å; Y37-H41 AromaticContact CZ-CD2 3.55Å; Y37-H41 AromaticContact CZ-CE1 3.79Å; Y37-H41 AromaticContact CZ-CG 3.88Å; Y37-H41 AromaticContact CZ-NE2 3.49Å; Y37-H41 PolarHBondContact O-ND1 2.93Å; Y37-H41 PolarHBondContact OH-NE2 3.21Å; H41-F125 VanDerWaalsContact C-CE2 3.49Å; H41-C136 CarbonylContact O-C 3.6Å; H41-C136 WeakPolarHBondContact O-CA 3.27Å; H41-C136 WeakPolarHBondContact O-CB 3.47Å; H41-E137 IonicContact CE1-OE2 2.62Å; H41-E137 PolarHBondContact N-O 3.12Å; H41-E137 IonicContact NE2-OE2 2.74Å; H41-E137 PolarHBondContact NE2-OE2 3.2Å; H41-E137 VanDerWaalsContact NE2-OE2 3.16Å; H41-E137 PolarHBondContact O-N 3.23Å
42I89.2Confident82.1Confident1 Ų143.7 Ų43.71%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-64.9138.8173.2-50.6178.2000108.5L15 L19 L28 A45 Y88 L121 F125 F128L15-I42 HydrophobicContact CD2-CD1 4.19Å; L19-I42 HydrophobicContact CD1-CG2 4.48Å; L28-I42 HydrophobicContact CD2-CB 3.65Å; L28-I42 HydrophobicContact CD2-CD1 4.29Å; L28-I42 HydrophobicContact CD2-CG2 3.38Å; I42-A45 WeakPolarHBondContact O-CB 3.28Å; I42-A45 PolarHBondContact O-N 3.18Å; I42-A45 VanDerWaalsContact O-N 3.17Å; I42-Y88 HydrophobicContact CB-CE1 4.26Å; I42-Y88 HydrophobicContact CD1-CD1 3.94Å; I42-Y88 HydrophobicContact CD1-CD2 4.42Å; I42-Y88 HydrophobicContact CD1-CE1 3.71Å; I42-Y88 HydrophobicContact CD1-CE2 4.2Å; I42-Y88 HydrophobicContact CD1-CG 4.28Å; I42-Y88 HydrophobicContact CG1-CE1 4.02Å; I42-Y88 HydrophobicContact CG1-CE2 4.17Å; I42-Y88 PolarHBondContact N-OH 3.39Å; I42-L121 HydrophobicContact CD1-CD2 3.78Å; I42-F125 HydrophobicContact CG1-CD2 4Å; I42-F125 HydrophobicContact CG1-CE2 4.23Å; I42-F128 HydrophobicContact CB-CD1 4.47Å; I42-F128 HydrophobicContact CB-CE1 4.18Å; I42-F128 HydrophobicContact CD1-CB 4.05Å; I42-F128 HydrophobicContact CD1-CD1 3.64Å; I42-F128 HydrophobicContact CD1-CD2 3.61Å; I42-F128 HydrophobicContact CD1-CE1 3.96Å; I42-F128 HydrophobicContact CD1-CE2 3.94Å; I42-F128 HydrophobicContact CD1-CG 3.47Å; I42-F128 VanDerWaalsContact CD1-CG 3.47Å; I42-F128 HydrophobicContact CD1-CZ 4.11Å; I42-F128 HydrophobicContact CG1-CD1 3.52Å; I42-F128 HydrophobicContact CG1-CD2 4.4Å; I42-F128 HydrophobicContact CG1-CE1 3.71Å; I42-F128 HydrophobicContact CG1-CG 3.91Å; I42-F128 HydrophobicContact CG1-CZ 4.25Å; I42-F128 HydrophobicContact CG2-CD1 4.34Å; I42-F128 HydrophobicContact CG2-CE1 3.62Å; I42-F128 HydrophobicContact CG2-CE2 4.31Å; I42-F128 HydrophobicContact CG2-CZ 3.61Å
43L84.5Confident81.5Confident68 Ų6846 Ų4636%0.35624%0.242SC..THydrogen-bonded Turntrans-51.2141-178.7-70.1170.3000111.8A45 L135 E137L43-A45 PolarHBondContact O-N 2.98Å; L43-L135 HydrophobicContact CD1-CD2 4.41Å; L43-L135 WeakPolarHBondContact CG-O 3.46Å; L43-L135 PolarHBondContact N-O 3.39Å; L43-E137 HydrophobicContact CD2-CB 3.92Å; L43-E137 HydrophobicContact CD2-CG 4.27Å
44E84.5Confident81.7Confident141 Ų14145.4 Ų45.466%0.65924%0.235SC*.THydrogen-bonded Turntrans60.46.3179.7-56.6-57.9117.100115.9
45A92.1Very high82.5Confident2 Ų246.1 Ų46.12%0.01724%0.238CC..PPolyproline II helixtrans-65.4139.4175.500000111.9L28 D30 Y37 I42 L43 Y88L28-A45 HydrophobicContact CB-CB 4.38Å; L28-A45 HydrophobicContact CD2-CB 3.93Å; L28-A45 HydrophobicContact CG-CB 3.91Å; L28-A45 CarbonylContact O-C 3.52Å; L28-A45 WeakPolarHBondContact O-CA 3.2Å; D30-A45 HydrophobicContact CB-CB 4.34Å; Y37-A45 HydrophobicContact CE2-CB 4.33Å; Y37-A45 WeakPolarHBondContact CE2-O 3.25Å; Y37-A45 PolarHBondContact OH-O 3.07Å; I42-A45 WeakPolarHBondContact O-CB 3.28Å; I42-A45 PolarHBondContact O-N 3.18Å; I42-A45 VanDerWaalsContact O-N 3.17Å; L43-A45 PolarHBondContact O-N 2.98Å; A45-Y88 HydrophobicContact CB-CE1 3.89Å; A45-Y88 VanDerWaalsContact CB-OH 3.3Å; A45-Y88 WeakPolarHBondContact CB-OH 3.13Å
46I92.1Very high83.4Confident15 Ų1548 Ų488%0.07724%0.235CC..EExtended strand (participates in β ladder)trans-92.8122174.7-60.5172.4000109L27 L28 I29 D30 I48 I69 S72 A73 V77L27-I46 HydrophobicContact CD1-CD1 3.63Å; L28-I46 PolarHBondContact O-N 3.36Å; I29-I46 WeakPolarHBondContact CA-O 3.36Å; D30-I46 PolarHBondContact N-O 2.82Å; I46-I48 PolarHBondContact O-N 3.23Å; I46-I69 HydrophobicContact CD1-CG2 3.9Å; I46-S72 VanDerWaalsContact CG2-CB 3.48Å; I46-A73 HydrophobicContact CD1-CB 3.98Å; I46-A73 HydrophobicContact CG1-CB 4.39Å; I46-V77 HydrophobicContact CD1-CG2 4.17Å
47N92.4Very high84Confident15 Ų1549.4 Ų49.48%0.0824%0.237CC..EExtended strand (participates in β ladder)trans-78.6121.3175.7-174.1-119.2000112D30 R32 Y37 N49 S72D30-N47 WeakPolarHBondContact O-CA 3.43Å; D30-N47 PolarHBondContact O-ND2 2.79Å; D30-N47 VanDerWaalsContact O-ND2 3.12Å; R32-N47 PolarHBondContact O-ND2 3.29Å; R32-N47 VanDerWaalsContact O-ND2 3.1Å; Y37-N47 HydrophobicContact CD1-CB 3.64Å; Y37-N47 HydrophobicContact CD2-CB 3.66Å; Y37-N47 HydrophobicContact CE1-CB 3.77Å; Y37-N47 HydrophobicContact CE2-CB 3.77Å; Y37-N47 HydrophobicContact CG-CB 3.56Å; N47-N49 PolarHBondContact OD1-N 3.11Å; N47-S72 WeakPolarHBondContact O-CB 3.45Å; N47-S72 PolarHBondContact O-OG 3.14Å; N47-S72 VanDerWaalsContact O-OG 3.11Å
48I91.8Very high84.4Confident2 Ų248.3 Ų48.31%0.0123%0.233CC..  trans-108.983.3165.1-56-175.4000107.2I29 D30 I46 C50 I65 L68 I69 F103 L107I29-I48 HydrophobicContact CD1-CD1 4.05Å; I29-I48 HydrophobicContact CG1-CD1 4.47Å; I29-I48 HydrophobicContact CG2-CB 4.16Å; I29-I48 HydrophobicContact CG2-CD1 3.71Å; I29-I48 HydrophobicContact CG2-CG1 3.82Å; D30-I48 PolarHBondContact O-N 3.15Å; I46-I48 PolarHBondContact O-N 3.23Å; I48-C50 PolarHBondContact O-N 3.34Å; I48-I65 HydrophobicContact CD1-CD1 3.97Å; I48-L68 HydrophobicContact CG2-CD2 3.62Å; I48-L68 HydrophobicContact CG2-CG 4.22Å; I48-I69 HydrophobicContact CD1-CG1 3.87Å; I48-F103 HydrophobicContact CG2-CZ 4.04Å; I48-F103 VanDerWaalsContact O-CE1 3.3Å; I48-F103 WeakPolarHBondContact O-CE1 3.49Å; I48-F103 WeakPolarHBondContact O-CZ 3.4Å; I48-L107 HydrophobicContact CB-CD2 4.39Å; I48-L107 HydrophobicContact CD1-CD1 4.11Å; I48-L107 HydrophobicContact CG2-CD1 4.1Å; I48-L107 HydrophobicContact CG2-CD2 4.47Å
49N79.3Confident85.3Confident26 Ų2651.2 Ų51.214%0.13925%0.245CC..  trans-46.9117.2-173.4178.725.6000114F34 N47 S51 F215F34-N49 HydrophobicContact CB-CB 4.46Å; F34-N49 PolarHBondContact N-OD1 3.02Å; N47-N49 PolarHBondContact OD1-N 3.11Å; N49-S51 PolarHBondContact O-N 2.8Å; N49-F215 VanDerWaalsContact ND2-CE2 3.29Å; N49-F215 WeakPolarHBondContact ND2-CE2 3.33Å; N49-F215 WeakPolarHBondContact ND2-CZ 3.37Å
50C79.4Confident86.2Confident52 Ų5253.2 Ų53.235%0.35125%0.25SS..  trans-64.894.8171177.60000111.3S31 I48 F103S31-C50 WeakPolarHBondContact O-CB 3.19Å; I48-C50 PolarHBondContact O-N 3.34Å; C50-F103 HydrophobicContact CB-CB 4.36Å; C50-F103 HydrophobicContact CB-CD1 3.44Å; C50-F103 VanDerWaalsContact CB-CD1 3.44Å; C50-F103 HydrophobicContact CB-CE1 3.82Å; C50-F103 HydrophobicContact CB-CG 3.92Å; C50-F103 WeakPolarHBondContact SG-CB 3.44Å
51S79.4Confident86.9Confident29 Ų2957.3 Ų57.320%0.20327%0.272CS..  trans-132.1148.2173.669.40000111.3N49 L53 M54 K55N49-S51 PolarHBondContact O-N 2.8Å; S51-L53 PolarHBondContact O-N 3.41Å; S51-M54 PolarHBondContact O-N 2.84Å; S51-M54 VanDerWaalsContact OG-CB 3.25Å; S51-M54 WeakPolarHBondContact OG-CB 3.48Å; S51-M54 PolarHBondContact OG-N 3.05Å; S51-K55 PolarHBondContact O-N 3.03Å
52K80.9Confident86.8Confident194 Ų19466.1 Ų66.184%0.84330%0.304SS*.Hα-helixtrans-54.3-37.9177.2-67.1-176.1179.4-179.40112.4R56K52-R56 WeakPolarHBondContact O-CB 3.25Å; K52-R56 PolarHBondContact O-N 2.99Å; K52-R56 VanDerWaalsContact O-N 3.12Å
53L80.6Confident86.6Confident58 Ų5867.5 Ų67.530%0.30431%0.313SS..Hα-helixtrans-68.1-44.5177.6179.663.4000112S51 R56 R57S51-L53 PolarHBondContact O-N 3.41Å; L53-R56 PolarHBondContact O-N 2.88Å; L53-R57 WeakPolarHBondContact O-CG 3.36Å; L53-R57 PolarHBondContact O-N 2.82Å
54M83.4Confident86.9Confident36 Ų3668.7 Ų68.718%0.17732%0.319CS..Hα-helixtrans-65.7-45.9179.8-169.460.274.600110.9S51 R56 R57 L58 L68 F103S51-M54 PolarHBondContact O-N 2.84Å; S51-M54 VanDerWaalsContact OG-CB 3.25Å; S51-M54 WeakPolarHBondContact OG-CB 3.48Å; S51-M54 PolarHBondContact OG-N 3.05Å; M54-R56 VanDerWaalsContact C-N 3.31Å; M54-R56 PolarHBondContact O-N 2.99Å; M54-R57 PolarHBondContact O-N 2.96Å; M54-R57 VanDerWaalsContact O-N 3.1Å; M54-L58 HydrophobicContact CG-CD1 4.19Å; M54-L58 WeakPolarHBondContact O-CG 3.5Å; M54-L58 PolarHBondContact O-N 3.35Å; M54-L68 HydrophobicContact CE-CD1 3.71Å; M54-L68 HydrophobicContact CE-CD2 4.37Å; M54-L68 HydrophobicContact CG-CD2 4.22Å; M54-L68 HydrophobicContact SD-CD1 4Å; M54-L68 HydrophobicContact SD-CD2 3.68Å; M54-F103 HydrophobicContact CB-CE2 4.26Å; M54-F103 HydrophobicContact CG-CE2 4.13Å
55K88.7Confident87.2Confident34 Ų3462.4 Ų62.415%0.14829%0.29CS..Hα-helixtrans-50-51.7172.7-169.5-173.4152.6-162.40111.5S51 R57 L58 Q59 D101 F103 V106S51-K55 PolarHBondContact O-N 3.03Å; K55-R57 VanDerWaalsContact C-N 3.35Å; K55-R57 PolarHBondContact O-N 3.25Å; K55-L58 PolarHBondContact O-N 3.49Å; K55-Q59 VanDerWaalsContact CE-NE2 3.32Å; K55-Q59 WeakPolarHBondContact O-CB 3.44Å; K55-Q59 WeakPolarHBondContact O-CG 3.11Å; K55-Q59 PolarHBondContact O-N 2.89Å; K55-D101 WeakPolarHBondContact CE-O 3.41Å; K55-D101 VanDerWaalsContact CE-OD1 3.27Å; K55-D101 WeakPolarHBondContact CE-OD1 3.31Å; K55-D101 PolarHBondContact NZ-O 3.34Å; K55-D101 IonicContact NZ-OD1 3.36Å; K55-D101 PolarHBondContact NZ-OD1 2.89Å; K55-D101 IonicContact NZ-OD2 2.97Å; K55-D101 PolarHBondContact NZ-OD2 2.82Å; K55-F103 HydrophobicContact CB-CD2 3.83Å; K55-F103 HydrophobicContact CG-CD2 4.25Å; K55-V106 HydrophobicContact CG-CB 4.44Å; K55-V106 HydrophobicContact CG-CG2 4.14Å
56R87.8Confident87.2Confident136 Ų13664.6 Ų64.651%0.51330%0.303SS..Hα-helixtrans-61.2-41.2179.5-173.6175.469.4-165.91.9112.4K52 L53 M54 Q59 Q60K52-R56 WeakPolarHBondContact O-CB 3.25Å; K52-R56 PolarHBondContact O-N 2.99Å; K52-R56 VanDerWaalsContact O-N 3.12Å; L53-R56 PolarHBondContact O-N 2.88Å; M54-R56 VanDerWaalsContact C-N 3.31Å; M54-R56 PolarHBondContact O-N 2.99Å; R56-Q59 PolarHBondContact O-N 3.41Å; R56-Q60 HydrophobicContact CG-CG 4.38Å; R56-Q60 VanDerWaalsContact O-CB 3.31Å; R56-Q60 WeakPolarHBondContact O-CB 3.4Å; R56-Q60 WeakPolarHBondContact O-CG 3.26Å; R56-Q60 PolarHBondContact O-N 3.47Å
57R88.2Confident86.9Confident98 Ų9868.7 Ų68.737%0.3732%0.322SS..Hα-helixtrans-66.8-39.6178.7-74.9-178.3178.1-160.3-2112.5L53 M54 K55 D61 R62 V63L53-R57 WeakPolarHBondContact O-CG 3.36Å; L53-R57 PolarHBondContact O-N 2.82Å; M54-R57 PolarHBondContact O-N 2.96Å; M54-R57 VanDerWaalsContact O-N 3.1Å; K55-R57 VanDerWaalsContact C-N 3.35Å; K55-R57 PolarHBondContact O-N 3.25Å; R57-D61 PolarHBondContact O-N 3.26Å; R57-R62 HydrophobicContact CB-CB 4.32Å; R57-R62 HydrophobicContact CG-CB 4.43Å; R57-R62 PolarHBondContact O-N 3.19Å; R57-V63 HydrophobicContact CB-CG2 4.15Å
58L88.9Confident86.6Confident1 Ų168.7 Ų68.71%0.00532%0.322CS..Hα-helixtrans-65.1-48.2173.8-71.6170.8000110.7M54 K55 Q60 D61 I65 L68 F103 V106 L107 K110M54-L58 HydrophobicContact CG-CD1 4.19Å; M54-L58 WeakPolarHBondContact O-CG 3.5Å; M54-L58 PolarHBondContact O-N 3.35Å; K55-L58 PolarHBondContact O-N 3.49Å; L58-Q60 VanDerWaalsContact C-N 3.26Å; L58-Q60 PolarHBondContact O-N 3.48Å; L58-D61 PolarHBondContact O-N 2.87Å; L58-D61 VanDerWaalsContact O-N 3.09Å; L58-I65 HydrophobicContact CD2-CD1 4.33Å; L58-L68 HydrophobicContact CD1-CD2 4.48Å; L58-L68 HydrophobicContact CD2-CD2 4.07Å; L58-F103 HydrophobicContact CD1-CE2 3.97Å; L58-F103 HydrophobicContact CD1-CZ 4.48Å; L58-V106 HydrophobicContact CB-CG1 3.96Å; L58-L107 HydrophobicContact CD1-CD1 4.48Å; L58-K110 HydrophobicContact CB-CG 4.46Å; L58-K110 WeakPolarHBondContact O-CE 3.19Å; L58-K110 PolarHBondContact O-NZ 3.18Å
59Q91.2Very high86.5Confident85 Ų8568.6 Ų68.640%0.39732%0.322SS..Hα-helixtrans-58.5-37.4177.8-75.2175.4-4300112.7K55 R56 D61 D101 V106K55-Q59 VanDerWaalsContact CE-NE2 3.32Å; K55-Q59 WeakPolarHBondContact O-CB 3.44Å; K55-Q59 WeakPolarHBondContact O-CG 3.11Å; K55-Q59 PolarHBondContact O-N 2.89Å; R56-Q59 PolarHBondContact O-N 3.41Å; Q59-D61 VanDerWaalsContact C-N 3.32Å; Q59-D101 PolarHBondContact NE2-OD1 3.05Å; Q59-V106 HydrophobicContact CG-CG1 3.75Å; Q59-V106 HydrophobicContact CG-CG2 3.89Å
60Q91.6Very high86.8Confident109 Ų10970.5 Ų70.551%0.50933%0.33SS..THydrogen-bonded Turntrans-886.1-179.9-66.6176.1-14.600114R56 L58 R62R56-Q60 HydrophobicContact CG-CG 4.38Å; R56-Q60 VanDerWaalsContact O-CB 3.31Å; R56-Q60 WeakPolarHBondContact O-CB 3.4Å; R56-Q60 WeakPolarHBondContact O-CG 3.26Å; R56-Q60 PolarHBondContact O-N 3.47Å; L58-Q60 VanDerWaalsContact C-N 3.26Å; L58-Q60 PolarHBondContact O-N 3.48Å; Q60-R62 HydrophobicContact CB-CG 3.79Å; Q60-R62 PolarHBondContact O-N 3.43Å
61D89.4Confident86.9Confident94 Ų9475.5 Ų75.550%0.50335%0.347SS..THydrogen-bonded Turntrans5231.4-176.7-69.5-58.6000113.5R57 L58 Q59 V63 K110R57-D61 PolarHBondContact O-N 3.26Å; L58-D61 PolarHBondContact O-N 2.87Å; L58-D61 VanDerWaalsContact O-N 3.09Å; Q59-D61 VanDerWaalsContact C-N 3.32Å; D61-V63 VanDerWaalsContact C-N 3.28Å; D61-K110 IonicContact OD1-NZ 3.6Å; D61-K110 PolarHBondContact OD1-NZ 3.12Å; D61-K110 IonicContact OD2-NZ 3.16Å; D61-K110 PolarHBondContact OD2-NZ 2.9Å; D61-K110 VanDerWaalsContact OD2-NZ 3.08Å
62R87.8Confident86.9Confident192 Ų19276.4 Ų76.473%0.72535%0.354SS*.SBendtrans-81.1-11.4177.1-67.6-68-165.9171.60.2112.7R57 Q60R57-R62 HydrophobicContact CB-CB 4.32Å; R57-R62 HydrophobicContact CG-CB 4.43Å; R57-R62 PolarHBondContact O-N 3.19Å; Q60-R62 HydrophobicContact CB-CG 3.79Å; Q60-R62 PolarHBondContact O-N 3.43Å
63V85.7Confident86.9Confident31 Ų3168.1 Ų68.119%0.18832%0.321CS..SBendtrans-145128.5178.2176.40000107.4R57 D61 L68R57-V63 HydrophobicContact CB-CG2 4.15Å; D61-V63 VanDerWaalsContact C-N 3.28Å; V63-L68 HydrophobicContact CG1-CB 3.96Å
64L89.3Confident86.3Confident92 Ų9271.2 Ų71.248%0.48233%0.333SS..  trans-77.3142.7174.2-61.8178.4000110.3T66 E67 L68L64-T66 VanDerWaalsContact C-N 3.32Å; L64-T66 PolarHBondContact O-N 3.3Å; L64-E67 HydrophobicContact CB-CB 4.27Å; L64-E67 HydrophobicContact CB-CG 4.04Å; L64-E67 HydrophobicContact CD1-CG 4.45Å; L64-E67 PolarHBondContact O-N 3.06Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 3.38Å
65I91.9Very high85.9Confident9 Ų976.5 Ų76.55%0.04636%0.356CS..Hα-helixtrans-65.3-36.5-176.7-170.956.4000112.2I48 L58 L68 I69 L107 K110 L111 S114I48-I65 HydrophobicContact CD1-CD1 3.97Å; L58-I65 HydrophobicContact CD2-CD1 4.33Å; I65-L68 HydrophobicContact CD1-CD2 4.31Å; I65-L68 WeakPolarHBondContact O-CB 3.4Å; I65-L68 PolarHBondContact O-N 3.29Å; I65-I69 HydrophobicContact CG1-CD1 4.11Å; I65-I69 WeakPolarHBondContact O-CD1 3.37Å; I65-I69 VanDerWaalsContact O-CG1 3.26Å; I65-I69 WeakPolarHBondContact O-CG1 3.3Å; I65-I69 PolarHBondContact O-N 2.81Å; I65-L107 HydrophobicContact CD1-CD1 3.53Å; I65-K110 HydrophobicContact CB-CB 4.26Å; I65-K110 HydrophobicContact CG1-CB 4.46Å; I65-L111 HydrophobicContact CD1-CD2 4.1Å; I65-L111 HydrophobicContact CD1-CG 4.41Å; I65-L111 HydrophobicContact CG1-CD2 3.45Å; I65-L111 VanDerWaalsContact CG1-CD2 3.45Å; I65-L111 HydrophobicContact CG1-CG 3.95Å; I65-S114 WeakPolarHBondContact CG2-OG 3.49Å
66T90.7Very high85.5Confident48 Ų4884 Ų8429%0.29439%0.389SS..Hα-helixtrans-66-42.8177.252.30000112L64 L68 I69 Q70 I79L64-T66 VanDerWaalsContact C-N 3.32Å; L64-T66 PolarHBondContact O-N 3.3Å; T66-L68 VanDerWaalsContact C-N 3.32Å; T66-L68 PolarHBondContact O-N 2.81Å; T66-I69 PolarHBondContact O-N 2.9Å; T66-Q70 WeakPolarHBondContact O-CB 3.43Å; T66-Q70 PolarHBondContact O-N 3Å; T66-I79 HydrophobicContact CG2-CG2 4.14Å; T66-I79 VanDerWaalsContact O-CD1 3.28Å; T66-I79 WeakPolarHBondContact O-CD1 3.07Å
67E87.1Confident85.3Confident102 Ų10278.9 Ų78.948%0.47737%0.373SS..Hα-helixtrans-63.1-40172.7-68.1-176.8166.300111.6L64 Q70 H71L64-E67 HydrophobicContact CB-CB 4.27Å; L64-E67 HydrophobicContact CB-CG 4.04Å; L64-E67 HydrophobicContact CD1-CG 4.45Å; L64-E67 PolarHBondContact O-N 3.06Å; E67-Q70 PolarHBondContact O-N 3.05Å; E67-H71 WeakPolarHBondContact O-CB 3.47Å; E67-H71 PolarHBondContact O-CD2 3.22Å; E67-H71 VanDerWaalsContact O-CD2 3.27Å; E67-H71 PolarHBondContact O-N 2.79Å
68L86.5Confident85.1Confident15 Ų1579.8 Ų79.88%0.07939%0.385CS..Hα-helixtrans-64.3-45.4178.2-17757.2000111.6I48 M54 L58 V63 L64 I65 T66 Q70 H71 S72I48-L68 HydrophobicContact CG2-CD2 3.62Å; I48-L68 HydrophobicContact CG2-CG 4.22Å; M54-L68 HydrophobicContact CE-CD1 3.71Å; M54-L68 HydrophobicContact CE-CD2 4.37Å; M54-L68 HydrophobicContact CG-CD2 4.22Å; M54-L68 HydrophobicContact SD-CD1 4Å; M54-L68 HydrophobicContact SD-CD2 3.68Å; L58-L68 HydrophobicContact CD1-CD2 4.48Å; L58-L68 HydrophobicContact CD2-CD2 4.07Å; V63-L68 HydrophobicContact CG1-CB 3.96Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 3.38Å; I65-L68 HydrophobicContact CD1-CD2 4.31Å; I65-L68 WeakPolarHBondContact O-CB 3.4Å; I65-L68 PolarHBondContact O-N 3.29Å; T66-L68 VanDerWaalsContact C-N 3.32Å; T66-L68 PolarHBondContact O-N 2.81Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-Q70 PolarHBondContact O-N 3.19Å; L68-H71 PolarHBondContact O-N 2.62Å; L68-S72 WeakPolarHBondContact O-CB 3.29Å; L68-S72 PolarHBondContact O-N 2.79Å; L68-S72 PolarHBondContact O-OG 3.36Å
69I89.2Confident84.9Confident0 Ų082 Ų820%040%0.396CS..Hα-helixtrans-57.2-50173.8-70.2158.5000109.8L27 I29 I46 I48 I65 T66 H71 S72 A73 I79 L111 F115L27-I69 HydrophobicContact CD1-CG2 4.27Å; L27-I69 HydrophobicContact CD2-CD1 4.01Å; L27-I69 HydrophobicContact CD2-CG2 4.2Å; I29-I69 HydrophobicContact CD1-CD1 4.28Å; I29-I69 HydrophobicContact CD1-CG1 4.38Å; I46-I69 HydrophobicContact CD1-CG2 3.9Å; I48-I69 HydrophobicContact CD1-CG1 3.87Å; I65-I69 HydrophobicContact CG1-CD1 4.11Å; I65-I69 WeakPolarHBondContact O-CD1 3.37Å; I65-I69 VanDerWaalsContact O-CG1 3.26Å; I65-I69 WeakPolarHBondContact O-CG1 3.3Å; I65-I69 PolarHBondContact O-N 2.81Å; T66-I69 PolarHBondContact O-N 2.9Å; I69-H71 VanDerWaalsContact C-N 3.27Å; I69-H71 PolarHBondContact O-N 2.78Å; I69-S72 PolarHBondContact O-N 3.49Å; I69-S72 VanDerWaalsContact O-N 3.15Å; I69-A73 WeakPolarHBondContact O-CB 3.46Å; I69-A73 PolarHBondContact O-N 2.71Å; I69-I79 HydrophobicContact CB-CD1 4.12Å; I69-I79 HydrophobicContact CG2-CD1 3.92Å; I69-I79 HydrophobicContact CG2-CG1 4.45Å; I69-L111 HydrophobicContact CD1-CD2 3.9Å; I69-F115 HydrophobicContact CD1-CE2 3.87Å; I69-F115 HydrophobicContact CD1-CZ 3.91Å
70Q86.1Confident84.8Confident66 Ų6681.2 Ų81.231%0.30840%0.395SS..Hα-helixtrans-62.6-34.3-179-17553.584.700112.5T66 E67 L68 V77 I79T66-Q70 WeakPolarHBondContact O-CB 3.43Å; T66-Q70 PolarHBondContact O-N 3Å; E67-Q70 PolarHBondContact O-N 3.05Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-Q70 PolarHBondContact O-N 3.19Å; Q70-V77 VanDerWaalsContact OE1-N 3.1Å; Q70-V77 PolarHBondContact OE1-O 2.85Å; Q70-I79 HydrophobicContact CB-CD1 4.39Å
71H80.1Confident84.6Confident156 Ų15678.7 Ų78.772%0.72239%0.389SS*.Hα-helixtrans-76.6-28.9176-89.2-61000114.2E67 L68 I69E67-H71 WeakPolarHBondContact O-CB 3.47Å; E67-H71 PolarHBondContact O-CD2 3.22Å; E67-H71 VanDerWaalsContact O-CD2 3.27Å; E67-H71 PolarHBondContact O-N 2.79Å; L68-H71 PolarHBondContact O-N 2.62Å; I69-H71 VanDerWaalsContact C-N 3.27Å; I69-H71 PolarHBondContact O-N 2.78Å
72S80.9Confident84.6Confident48 Ų4879.6 Ų79.634%0.33639%0.393SS..Hα-helixtrans-85-20179.3-76.90000113.3I46 N47 L68 I69I46-S72 VanDerWaalsContact CG2-CB 3.48Å; N47-S72 WeakPolarHBondContact O-CB 3.45Å; N47-S72 PolarHBondContact O-OG 3.14Å; N47-S72 VanDerWaalsContact O-OG 3.11Å; L68-S72 WeakPolarHBondContact O-CB 3.29Å; L68-S72 PolarHBondContact O-N 2.79Å; L68-S72 PolarHBondContact O-OG 3.36Å; I69-S72 PolarHBondContact O-N 3.49Å; I69-S72 VanDerWaalsContact O-N 3.15Å
73A79Confident84.6Confident20 Ų2071.2 Ų71.217%0.16536%0.363CS..SBendtrans-72143.3-179.300000113I46 I69 H75 V77I46-A73 HydrophobicContact CD1-CB 3.98Å; I46-A73 HydrophobicContact CG1-CB 4.39Å; I69-A73 WeakPolarHBondContact O-CB 3.46Å; I69-A73 PolarHBondContact O-N 2.71Å; A73-H75 VanDerWaalsContact CB-O 3.26Å; A73-H75 WeakPolarHBondContact CB-O 3.13Å; A73-H75 PolarHBondContact O-N 3.18Å; A73-V77 HydrophobicContact CB-CB 4.49Å; A73-V77 HydrophobicContact CB-CG2 3.35Å
74K69.1Low84.9Confident124 Ų12472 Ų7254%0.53936%0.363SS..SBendtrans-64.4-29.8174.3-64.5178.8-174.2170.50111.9E137K74-E137 IonicContact NZ-OE1 2.67Å; K74-E137 IonicContact NZ-OE2 3.76Å; K74-E137 PolarHBondContact NZ-OE2 3.39Å
75H75.8Confident85.2Confident147 Ų14767.6 Ų67.668%0.68134%0.34SS*.SBendtrans-131.1169.4-178.4-59.6-62.4000111.4A73 V77A73-H75 VanDerWaalsContact CB-O 3.26Å; A73-H75 WeakPolarHBondContact CB-O 3.13Å; A73-H75 PolarHBondContact O-N 3.18Å; H75-V77 PolarHBondContact O-N 3.5Å
76K80Confident85.4Confident192 Ų19267.1 Ų67.184%0.83534%0.338SS*.  trans-61.3124.2172.1-169.9-179.9178.2-172.50108.6
77V82.7Confident85.8Confident27 Ų2764.9 Ų64.916%0.16432%0.324CS..  trans-106.6119.5-179.8178.70000106.4L27 I46 Q70 A73 H75 I79L27-V77 HydrophobicContact CD1-CG1 4.14Å; I46-V77 HydrophobicContact CD1-CG2 4.17Å; Q70-V77 VanDerWaalsContact OE1-N 3.1Å; Q70-V77 PolarHBondContact OE1-O 2.85Å; A73-V77 HydrophobicContact CB-CB 4.49Å; A73-V77 HydrophobicContact CB-CG2 3.35Å; H75-V77 PolarHBondContact O-N 3.5Å; V77-I79 HydrophobicContact CB-CG1 4.44Å; V77-I79 HydrophobicContact CG1-CG1 4.08Å; V77-I79 PolarHBondContact O-N 3.1Å
78D83.4Confident86.2Confident118 Ų11860 Ų6063%0.63130%0.301SS*.  trans-73.5108.5168.5-169.526.3000108.3K25 Q83K25-D78 PolarHBondContact NZ-O 2.74Å; D78-Q83 PolarHBondContact O-NE2 3.48Å; D78-Q83 PolarHBondContact O-OE1 2.99Å
79I86.5Confident86.6Confident47 Ų4760.7 Ų60.724%0.24131%0.305CS..  trans-95117.7-175.5-61.4177.7000107.8T66 I69 Q70 V77 F115T66-I79 HydrophobicContact CG2-CG2 4.14Å; T66-I79 VanDerWaalsContact O-CD1 3.28Å; T66-I79 WeakPolarHBondContact O-CD1 3.07Å; I69-I79 HydrophobicContact CB-CD1 4.12Å; I69-I79 HydrophobicContact CG2-CD1 3.92Å; I69-I79 HydrophobicContact CG2-CG1 4.45Å; Q70-I79 HydrophobicContact CB-CD1 4.39Å; V77-I79 HydrophobicContact CB-CG1 4.44Å; V77-I79 HydrophobicContact CG1-CG1 4.08Å; V77-I79 PolarHBondContact O-N 3.1Å; I79-F115 HydrophobicContact CG2-CE1 3.6Å; I79-F115 HydrophobicContact CG2-CZ 3.52Å
80D87.6Confident86.8Confident68 Ų6864.2 Ų64.236%0.36432%0.321SS..  trans-122.9135.7176.4171.810.6000108.8N82 Q83 F115D80-N82 PolarHBondContact O-N 2.92Å; D80-N82 PolarHBondContact OD1-N 3.31Å; D80-N82 PolarHBondContact OD1-ND2 2.5Å; D80-Q83 HydrophobicContact CB-CG 3.99Å; D80-Q83 WeakPolarHBondContact O-CB 2.89Å; D80-Q83 PolarHBondContact O-N 3.39Å; D80-F115 WeakPolarHBondContact O-CD1 3.28Å
81C88.5Confident87.3Confident57 Ų5764.5 Ų64.539%0.38533%0.331SS..THydrogen-bonded Turntrans-63.5-20-18060.50000112.9S114 N116C81-S114 WeakPolarHBondContact CB-O 3.48Å; C81-N116 PolarHBondContact O-N 3.01Å
82N88.3Confident87.9Confident112 Ų11258 Ų5860%0.59930%0.303SS*.THydrogen-bonded Turntrans-85-5.8175.5-61.4-49.4000113.8D80 N116D80-N82 PolarHBondContact O-N 2.92Å; D80-N82 PolarHBondContact OD1-N 3.31Å; D80-N82 PolarHBondContact OD1-ND2 2.5Å; N82-N116 PolarHBondContact OD1-ND2 3.02Å
83Q88.9Confident88.3Confident17 Ų1760.3 Ų60.38%0.07931%0.308CS..SBendtrans-66.1141.6175-74.5167.8-11.500110.9D78 D80 V85D78-Q83 PolarHBondContact O-NE2 3.48Å; D78-Q83 PolarHBondContact O-OE1 2.99Å; D80-Q83 HydrophobicContact CB-CG 3.99Å; D80-Q83 WeakPolarHBondContact O-CB 2.89Å; D80-Q83 PolarHBondContact O-N 3.39Å; Q83-V85 PolarHBondContact O-N 2.94Å
84K91.9Very high88.8Confident46 Ų4661.9 Ų61.920%0.231%0.314CS..EExtended strand (participates in β ladder)trans-76.1118.8171.4-171.9173.6-75.1160.10109L18 E24 V26 L27L18-K84 HydrophobicContact CD1-CD 3.68Å; E24-K84 IonicContact OE1-NZ 3.03Å; E24-K84 WeakPolarHBondContact OE2-CE 3.32Å; E24-K84 IonicContact OE2-NZ 3.65Å; E24-K84 PolarHBondContact OE2-NZ 3.46Å; V26-K84 CarbonylContact C-O 3.6Å; V26-K84 WeakPolarHBondContact CA-O 3.2Å; L27-K84 PolarHBondContact N-O 3.33Å
85V95.4Very high89.7Confident0 Ų056.6 Ų56.60%029%0.292CS..EExtended strand (participates in β ladder)trans-101.4127.8177.1-173.90000109.1L27 I29 Q83 V87 L111 F115 S117 V118 H119L27-V85 HydrophobicContact CB-CG2 4.2Å; L27-V85 HydrophobicContact CD2-CG1 4.4Å; L27-V85 HydrophobicContact CD2-CG2 4.1Å; L27-V85 WeakPolarHBondContact O-CA 3.25Å; I29-V85 HydrophobicContact CD1-CG1 3.64Å; I29-V85 HydrophobicContact CG1-CG1 4.28Å; Q83-V85 PolarHBondContact O-N 2.94Å; V85-V87 HydrophobicContact CG1-CG2 4.2Å; V85-L111 HydrophobicContact CG1-CD1 4.32Å; V85-L111 HydrophobicContact CG1-CD2 4.38Å; V85-F115 HydrophobicContact CG2-CB 3.83Å; V85-F115 HydrophobicContact CG2-CD1 3.51Å; V85-F115 HydrophobicContact CG2-CD2 3.85Å; V85-F115 HydrophobicContact CG2-CE1 3.94Å; V85-F115 HydrophobicContact CG2-CE2 4.28Å; V85-F115 HydrophobicContact CG2-CG 3.45Å; V85-F115 VanDerWaalsContact CG2-CG 3.45Å; V85-F115 HydrophobicContact CG2-CZ 4.31Å; V85-S117 PolarHBondContact N-O 3.39Å; V85-V118 HydrophobicContact CB-CG2 4.28Å; V85-V118 CarbonylContact O-C 3.54Å; V85-V118 WeakPolarHBondContact O-CA 3.12Å; V85-H119 PolarHBondContact O-N 2.99Å
86V96.6Very high90.3Very high0 Ų053.1 Ų53.10%030%0.296CS..EExtended strand (participates in β ladder)trans-119123.6173.8-1800000108.5I10 L15 V26 L27 L28 I29 H119 L121I10-V86 HydrophobicContact CG2-CG1 3.7Å; I10-V86 HydrophobicContact CG2-CG2 4.2Å; L15-V86 HydrophobicContact CD1-CB 4.37Å; L15-V86 HydrophobicContact CD1-CG1 4.27Å; L15-V86 HydrophobicContact CD1-CG2 4.17Å; L15-V86 HydrophobicContact CD2-CG1 4.25Å; V26-V86 HydrophobicContact CG1-CB 4.4Å; V26-V86 HydrophobicContact CG1-CG2 3.96Å; L27-V86 PolarHBondContact O-N 3.39Å; L28-V86 CarbonylContact C-O 3.56Å; L28-V86 WeakPolarHBondContact CA-O 3.34Å; L28-V86 HydrophobicContact CD1-CB 3.85Å; L28-V86 HydrophobicContact CD1-CG1 3.9Å; I29-V86 PolarHBondContact N-O 3.1Å; V86-H119 CarbonylContact C-O 3.56Å; V86-H119 WeakPolarHBondContact CA-O 3.22Å; V86-H119 HydrophobicContact CG2-CB 4.45Å; V86-L121 HydrophobicContact CG1-CB 4.12Å
87V97.3Very high90.5Very high0 Ų047.5 Ų47.50%028%0.281CS..EExtended strand (participates in β ladder)trans-110.4139.6179.4-169.20000108.6I29 V85 L104 L107 L108 L111 V118 H119 L120 L121I29-V87 HydrophobicContact CB-CG1 4.4Å; I29-V87 HydrophobicContact CB-CG2 4.25Å; I29-V87 HydrophobicContact CG2-CG1 4.18Å; I29-V87 CarbonylContact O-C 3.57Å; I29-V87 WeakPolarHBondContact O-CA 3.49Å; V85-V87 HydrophobicContact CG1-CG2 4.2Å; V87-L104 HydrophobicContact CG1-CD1 3.7Å; V87-L107 HydrophobicContact CG1-CD2 4Å; V87-L108 HydrophobicContact CB-CD2 4.02Å; V87-L108 HydrophobicContact CG2-CD2 3.89Å; V87-L111 HydrophobicContact CG2-CD1 3.4Å; V87-V118 HydrophobicContact CG2-CG1 4.34Å; V87-H119 PolarHBondContact N-O 2.87Å; V87-L120 CarbonylContact O-C 3.6Å; V87-L120 WeakPolarHBondContact O-CA 3.46Å; V87-L121 PolarHBondContact O-N 3.07Å
88Y96.9Very high90.8Very high0 Ų047.4 Ų47.40%028%0.279CS..EExtended strand (participates in β ladder)trans-139.6145.4174.269.2-88.2000111.8L28 I29 D30 S31 I42 A45 L121 F125L28-Y88 HydrophobicContact CD1-CD1 3.92Å; L28-Y88 HydrophobicContact CD1-CE1 4Å; L28-Y88 HydrophobicContact CD2-CE1 4.27Å; L28-Y88 HydrophobicContact CG-CD1 4.32Å; L28-Y88 HydrophobicContact CG-CE1 3.89Å; I29-Y88 VanDerWaalsContact O-CD1 3.29Å; I29-Y88 WeakPolarHBondContact O-CD1 3.35Å; I29-Y88 PolarHBondContact O-N 3.14Å; D30-Y88 HydrophobicContact CB-CE1 3.91Å; D30-Y88 HydrophobicContact CB-CE2 3.94Å; D30-Y88 WeakPolarHBondContact OD2-CE2 3.36Å; D30-Y88 VanDerWaalsContact OD2-CZ 3.3Å; D30-Y88 PolarHBondContact OD2-OH 3.09Å; D30-Y88 VanDerWaalsContact OD2-OH 3.08Å; S31-Y88 PolarHBondContact N-O 3.45Å; S31-Y88 PolarHBondContact OG-O 2.94Å; S31-Y88 VanDerWaalsContact OG-O 3.13Å; I42-Y88 HydrophobicContact CB-CE1 4.26Å; I42-Y88 HydrophobicContact CD1-CD1 3.94Å; I42-Y88 HydrophobicContact CD1-CD2 4.42Å; I42-Y88 HydrophobicContact CD1-CE1 3.71Å; I42-Y88 HydrophobicContact CD1-CE2 4.2Å; I42-Y88 HydrophobicContact CD1-CG 4.28Å; I42-Y88 HydrophobicContact CG1-CE1 4.02Å; I42-Y88 HydrophobicContact CG1-CE2 4.17Å; I42-Y88 PolarHBondContact N-OH 3.39Å; A45-Y88 HydrophobicContact CB-CE1 3.89Å; A45-Y88 VanDerWaalsContact CB-OH 3.3Å; A45-Y88 WeakPolarHBondContact CB-OH 3.13Å; Y88-L121 HydrophobicContact CG-CD2 4.15Å; Y88-F125 HydrophobicContact CD2-CB 3.81Å; Y88-F125 HydrophobicContact CE2-CB 3.81Å; Y88-F125 AromaticContact CE2-CD2 3.8Å; Y88-F125 HydrophobicContact CE2-CD2 3.8Å; Y88-F125 HydrophobicContact CE2-CG 4.19Å
89D94.8Very high91.1Very high30 Ų3045.4 Ų45.416%0.1627%0.274CS..  trans-109.6-155168.976.3-17.7000110.1S31 R32 S91 S92 L104 G124 F125S31-D89 WeakPolarHBondContact OG-CB 3.47Å; R32-D89 VanDerWaalsContact CG-C 3.45Å; D89-S91 PolarHBondContact OD1-N 3.35Å; D89-S91 VanDerWaalsContact OD1-N 3.15Å; D89-S92 VanDerWaalsContact CG-OG 3.26Å; D89-S92 VanDerWaalsContact OD1-CB 3.23Å; D89-S92 WeakPolarHBondContact OD1-CB 3.4Å; D89-S92 PolarHBondContact OD1-N 2.84Å; D89-S92 PolarHBondContact OD1-OG 3.19Å; D89-S92 VanDerWaalsContact OD2-CB 3.31Å; D89-S92 WeakPolarHBondContact OD2-CB 3.41Å; D89-S92 PolarHBondContact OD2-OG 2.86Å; D89-L104 HydrophobicContact CB-CD2 4.05Å; D89-G124 CarbonylContact O-C 3.58Å; D89-G124 WeakPolarHBondContact O-CA 3.27Å; D89-F125 PolarHBondContact O-N 3Å
90Q93.8Very high91Very high73 Ų7348 Ų4834%0.34130%0.297SS..SBendtrans-73.4-38.9-178.5-175.456.923.800113.1R32 E36 F125 A126R32-Q90 VanDerWaalsContact CD-OE1 3.24Å; R32-Q90 HydrophobicContact CG-CB 4.41Å; E36-Q90 PolarHBondContact OE2-OE1 3.09Å; Q90-F125 PolarHBondContact O-N 3.39Å; Q90-A126 WeakPolarHBondContact O-CB 3.02Å; Q90-A126 PolarHBondContact O-N 3.41Å
91S95.2Very high90.9Very high72 Ų7249.2 Ų49.250%0.50330%0.303SS..SBendtrans-165.315.5-169.9650000115.9D89 Q93 G123D89-S91 PolarHBondContact OD1-N 3.35Å; D89-S91 VanDerWaalsContact OD1-N 3.15Å; S91-Q93 PolarHBondContact O-N 2.91Å; S91-G123 WeakPolarHBondContact CA-O 3.11Å
92S92.6Very high90.9Very high19 Ų1948.3 Ų48.313%0.13330%0.297CS..  trans-67.3135.2179.4-70.40000110.6D89 L98 G123D89-S92 VanDerWaalsContact CG-OG 3.26Å; D89-S92 VanDerWaalsContact OD1-CB 3.23Å; D89-S92 WeakPolarHBondContact OD1-CB 3.4Å; D89-S92 PolarHBondContact OD1-N 2.84Å; D89-S92 PolarHBondContact OD1-OG 3.19Å; D89-S92 VanDerWaalsContact OD2-CB 3.31Å; D89-S92 WeakPolarHBondContact OD2-CB 3.41Å; D89-S92 PolarHBondContact OD2-OG 2.86Å; S92-L98 VanDerWaalsContact OG-CD2 3.31Å; S92-L98 WeakPolarHBondContact OG-CD2 3.41Å; S92-G123 PolarHBondContact O-N 3.4Å
93Q90.9Very high91.1Very high97 Ų9743.6 Ų43.645%0.45327%0.271SS..  trans-90-51-178.8-71.2-66-23.100110.6Q9 S91 A122 G123 E127Q9-Q93 PolarHBondContact OE1-O 3.12Å; S91-Q93 PolarHBondContact O-N 2.91Å; Q93-A122 WeakPolarHBondContact O-CA 3.28Å; Q93-A122 WeakPolarHBondContact O-CB 3.33Å; Q93-G123 VanDerWaalsContact NE2-CA 3.25Å; Q93-E127 PolarHBondContact NE2-OE2 3.32Å
94D89.3Confident91.4Very high54 Ų5443.1 Ų43.129%0.28927%0.269SS..  trans-137.7153.5-174.567.595.8000112.2G96 S97D94-G96 VanDerWaalsContact C-N 3.27Å; D94-G96 PolarHBondContact O-N 3.41Å; D94-G96 WeakPolarHBondContact OD1-CA 3.29Å; D94-G96 PolarHBondContact OD1-N 2.7Å; D94-S97 PolarHBondContact O-N 3.48Å; D94-S97 PolarHBondContact O-OG 3.27Å; D94-S97 WeakPolarHBondContact OD1-CB 3.37Å; D94-S97 PolarHBondContact OD1-N 3.5Å; D94-S97 WeakPolarHBondContact OD2-CB 3.41Å; D94-S97 PolarHBondContact OD2-OG 3.41Å
95V88.4Confident91.4Very high13 Ų1341.7 Ų41.78%0.07926%0.264CS..G310 helixtrans-65.9-30179.4-179.90000111.8M5 S97 L98 L108 L120M5-V95 HydrophobicContact CB-CG1 4.49Å; M5-V95 HydrophobicContact CE-CG1 3.69Å; V95-S97 VanDerWaalsContact C-N 3.32Å; V95-S97 PolarHBondContact O-N 3.22Å; V95-L98 HydrophobicContact CG1-CD1 4.48Å; V95-L98 WeakPolarHBondContact O-CB 3.32Å; V95-L98 PolarHBondContact O-N 3.23Å; V95-L108 HydrophobicContact CG1-CD1 4.32Å; V95-L108 HydrophobicContact CG2-CD1 4.16Å; V95-L120 HydrophobicContact CG2-CB 3.82Å; V95-L120 HydrophobicContact CG2-CD2 3.8Å; V95-L120 HydrophobicContact CG2-CG 4.46Å
96G86.5Confident91.3Very high73 Ų7342.6 Ų42.675%0.75327%0.27SS*.G310 helixtrans-69.2-28.1-178.400000113.8D94 L98D94-G96 VanDerWaalsContact C-N 3.27Å; D94-G96 PolarHBondContact O-N 3.41Å; D94-G96 WeakPolarHBondContact OD1-CA 3.29Å; D94-G96 PolarHBondContact OD1-N 2.7Å; G96-L98 VanDerWaalsContact C-N 3.26Å; G96-L98 PolarHBondContact O-N 3.37Å
97S85.8Confident91.3Very high74 Ų7442.6 Ų42.652%0.51727%0.27SS..G310 helixtrans-75.8-13176.173.50000113.7D94 V95D94-S97 PolarHBondContact O-N 3.48Å; D94-S97 PolarHBondContact O-OG 3.27Å; D94-S97 WeakPolarHBondContact OD1-CB 3.37Å; D94-S97 PolarHBondContact OD1-N 3.5Å; D94-S97 WeakPolarHBondContact OD2-CB 3.41Å; D94-S97 PolarHBondContact OD2-OG 3.41Å; V95-S97 VanDerWaalsContact C-N 3.32Å; V95-S97 PolarHBondContact O-N 3.22Å
98L87.6Confident91.1Very high26 Ų2642.6 Ų42.614%0.13627%0.27CS..SBendtrans-76.6135.4-176.2-58.4179.5000111.6S92 V95 G96 S100 L104 L108 L120S92-L98 VanDerWaalsContact OG-CD2 3.31Å; S92-L98 WeakPolarHBondContact OG-CD2 3.41Å; V95-L98 HydrophobicContact CG1-CD1 4.48Å; V95-L98 WeakPolarHBondContact O-CB 3.32Å; V95-L98 PolarHBondContact O-N 3.23Å; G96-L98 VanDerWaalsContact C-N 3.26Å; G96-L98 PolarHBondContact O-N 3.37Å; L98-S100 PolarHBondContact O-N 3.07Å; L98-L104 HydrophobicContact CD1-CB 4.3Å; L98-L104 HydrophobicContact CD1-CD2 3.53Å; L98-L104 HydrophobicContact CD1-CG 3.73Å; L98-L104 HydrophobicContact CD2-CD2 3.85Å; L98-L104 HydrophobicContact CG-CD2 4.37Å; L98-L108 HydrophobicContact CD1-CD1 4.08Å; L98-L120 HydrophobicContact CD1-CD2 4.42Å
99S89.4Confident91Very high75 Ų7543.4 Ų43.452%0.52428%0.278SS..  trans-60.9136169.2173.30000110.3D101 C102 T105S99-D101 PolarHBondContact O-N 3.47Å; S99-D101 VanDerWaalsContact O-N 3.1Å; S99-C102 WeakPolarHBondContact O-CB 3.31Å; S99-C102 PolarHBondContact O-N 2.89Å; S99-C102 PolarHBondContact O-SG 3.13Å; S99-T105 PolarHBondContact O-OG1 2.65Å
100S86Confident91Very high103 Ų10343.1 Ų43.172%0.7228%0.276SS*.THydrogen-bonded Turntrans-59.8-23.2-179.856.90000113.8L98L98-S100 PolarHBondContact O-N 3.07Å
101D84.8Confident91Very high93 Ų9339.7 Ų39.750%0.49726%0.259SS..THydrogen-bonded Turntrans-102.68.5176.7-166.846.1000112.5K55 Q59 S99K55-D101 WeakPolarHBondContact CE-O 3.41Å; K55-D101 VanDerWaalsContact CE-OD1 3.27Å; K55-D101 WeakPolarHBondContact CE-OD1 3.31Å; K55-D101 PolarHBondContact NZ-O 3.34Å; K55-D101 IonicContact NZ-OD1 3.36Å; K55-D101 PolarHBondContact NZ-OD1 2.89Å; K55-D101 IonicContact NZ-OD2 2.97Å; K55-D101 PolarHBondContact NZ-OD2 2.82Å; Q59-D101 PolarHBondContact NE2-OD1 3.05Å; S99-D101 PolarHBondContact O-N 3.47Å; S99-D101 VanDerWaalsContact O-N 3.1Å
102C89.4Confident91Very high37 Ų3739.2 Ų39.225%0.2525%0.249CC..SBendtrans-75156.8174.388.10000111.2S99 L104 T105 V106S99-C102 WeakPolarHBondContact O-CB 3.31Å; S99-C102 PolarHBondContact O-N 2.89Å; S99-C102 PolarHBondContact O-SG 3.13Å; C102-L104 VanDerWaalsContact C-N 3.3Å; C102-L104 PolarHBondContact O-N 3.45Å; C102-T105 PolarHBondContact O-N 2.96Å; C102-T105 PolarHBondContact SG-N 2.84Å; C102-T105 PolarHBondContact SG-OG1 2.68Å; C102-V106 PolarHBondContact O-N 3.36Å
103F92.3Very high91Very high13 Ų1347.1 Ų47.16%0.05728%0.276CS..Hα-helixtrans-60.7-40.3-178.3172.5-101.4000112.6I48 C50 M54 K55 L58 T105 V106 L107I48-F103 HydrophobicContact CG2-CZ 4.04Å; I48-F103 VanDerWaalsContact O-CE1 3.3Å; I48-F103 WeakPolarHBondContact O-CE1 3.49Å; I48-F103 WeakPolarHBondContact O-CZ 3.4Å; C50-F103 HydrophobicContact CB-CB 4.36Å; C50-F103 HydrophobicContact CB-CD1 3.44Å; C50-F103 VanDerWaalsContact CB-CD1 3.44Å; C50-F103 HydrophobicContact CB-CE1 3.82Å; C50-F103 HydrophobicContact CB-CG 3.92Å; C50-F103 WeakPolarHBondContact SG-CB 3.44Å; M54-F103 HydrophobicContact CB-CE2 4.26Å; M54-F103 HydrophobicContact CG-CE2 4.13Å; K55-F103 HydrophobicContact CB-CD2 3.83Å; K55-F103 HydrophobicContact CG-CD2 4.25Å; L58-F103 HydrophobicContact CD1-CE2 3.97Å; L58-F103 HydrophobicContact CD1-CZ 4.48Å; F103-T105 PolarHBondContact O-N 3.33Å; F103-V106 PolarHBondContact O-N 2.92Å; F103-L107 HydrophobicContact CE1-CB 4.4Å; F103-L107 HydrophobicContact CE1-CD2 3.9Å; F103-L107 HydrophobicContact CZ-CD2 4.31Å; F103-L107 WeakPolarHBondContact O-CB 3.38Å; F103-L107 PolarHBondContact O-N 3.28Å
104L93.6Very high91Very high8 Ų844.5 Ų44.54%0.04227%0.269CS..Hα-helixtrans-61.5-43.8-179179.659.2000111.1V87 D89 L98 C102 V106 L107 L108 L120V87-L104 HydrophobicContact CG1-CD1 3.7Å; D89-L104 HydrophobicContact CB-CD2 4.05Å; L98-L104 HydrophobicContact CD1-CB 4.3Å; L98-L104 HydrophobicContact CD1-CD2 3.53Å; L98-L104 HydrophobicContact CD1-CG 3.73Å; L98-L104 HydrophobicContact CD2-CD2 3.85Å; L98-L104 HydrophobicContact CG-CD2 4.37Å; C102-L104 VanDerWaalsContact C-N 3.3Å; C102-L104 PolarHBondContact O-N 3.45Å; L104-V106 PolarHBondContact O-N 3.2Å; L104-L107 PolarHBondContact O-N 3.37Å; L104-L108 HydrophobicContact CD1-CD1 4.14Å; L104-L108 HydrophobicContact CD1-CG 4.1Å; L104-L108 HydrophobicContact CG-CD1 4Å; L104-L108 HydrophobicContact CG-CG 4.41Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 3.02Å; L104-L120 HydrophobicContact CD1-CD1 4.23Å; L104-L120 HydrophobicContact CD2-CD1 3.8Å; L104-L120 HydrophobicContact CG-CD1 4.46Å
105T93.4Very high91.2Very high15 Ų1542.2 Ų42.29%0.09226%0.256CS..Hα-helixtrans-57.4-47.1174-51.90000111.8M5 S99 C102 F103 L107 G109M5-T105 HydrophobicContact CE-CG2 3.39Å; M5-T105 HydrophobicContact SD-CG2 3.86Å; S99-T105 PolarHBondContact O-OG1 2.65Å; C102-T105 PolarHBondContact O-N 2.96Å; C102-T105 PolarHBondContact SG-N 2.84Å; C102-T105 PolarHBondContact SG-OG1 2.68Å; F103-T105 PolarHBondContact O-N 3.33Å; T105-L107 VanDerWaalsContact C-N 3.33Å; T105-L107 PolarHBondContact O-N 3.34Å; T105-G109 PolarHBondContact O-N 2.74Å; T105-G109 VanDerWaalsContact O-N 3.08Å
106V93.7Very high91.4Very high19 Ų1947.3 Ų47.312%0.11528%0.283CS..Hα-helixtrans-62.3-42.1177.5172.70000111.2K55 L58 Q59 C102 F103 L104 K110K55-V106 HydrophobicContact CG-CB 4.44Å; K55-V106 HydrophobicContact CG-CG2 4.14Å; L58-V106 HydrophobicContact CB-CG1 3.96Å; Q59-V106 HydrophobicContact CG-CG1 3.75Å; Q59-V106 HydrophobicContact CG-CG2 3.89Å; C102-V106 PolarHBondContact O-N 3.36Å; F103-V106 PolarHBondContact O-N 2.92Å; L104-V106 PolarHBondContact O-N 3.2Å; V106-K110 VanDerWaalsContact O-CG 3.32Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 3.22Å
107L94.9Very high91.6Very high0 Ų045.4 Ų45.40%026%0.258CS..Hα-helixtrans-65.3-49.5-179.1177.659.5000111.3I29 I48 L58 I65 V87 F103 L104 T105 G109 K110 L111I29-L107 HydrophobicContact CG2-CD2 4.21Å; I48-L107 HydrophobicContact CB-CD2 4.39Å; I48-L107 HydrophobicContact CD1-CD1 4.11Å; I48-L107 HydrophobicContact CG2-CD1 4.1Å; I48-L107 HydrophobicContact CG2-CD2 4.47Å; L58-L107 HydrophobicContact CD1-CD1 4.48Å; I65-L107 HydrophobicContact CD1-CD1 3.53Å; V87-L107 HydrophobicContact CG1-CD2 4Å; F103-L107 HydrophobicContact CE1-CB 4.4Å; F103-L107 HydrophobicContact CE1-CD2 3.9Å; F103-L107 HydrophobicContact CZ-CD2 4.31Å; F103-L107 WeakPolarHBondContact O-CB 3.38Å; F103-L107 PolarHBondContact O-N 3.28Å; L104-L107 PolarHBondContact O-N 3.37Å; T105-L107 VanDerWaalsContact C-N 3.33Å; T105-L107 PolarHBondContact O-N 3.34Å; L107-G109 PolarHBondContact O-N 2.87Å; L107-K110 PolarHBondContact O-N 2.94Å; L107-K110 VanDerWaalsContact O-N 3.1Å; L107-L111 HydrophobicContact CD1-CD1 4.02Å; L107-L111 HydrophobicContact CD1-CG 4.27Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.46Å
108L94.9Very high92.1Very high1 Ų142.4 Ų42.41%0.00524%0.237CC..Hα-helixtrans-55.5-50.5177-71.6170.1000110.8M5 V87 V95 L98 L104 K110 L111 E112 V118M5-L108 HydrophobicContact CE-CB 4.44Å; V87-L108 HydrophobicContact CB-CD2 4.02Å; V87-L108 HydrophobicContact CG2-CD2 3.89Å; V95-L108 HydrophobicContact CG1-CD1 4.32Å; V95-L108 HydrophobicContact CG2-CD1 4.16Å; L98-L108 HydrophobicContact CD1-CD1 4.08Å; L104-L108 HydrophobicContact CD1-CD1 4.14Å; L104-L108 HydrophobicContact CD1-CG 4.1Å; L104-L108 HydrophobicContact CG-CD1 4Å; L104-L108 HydrophobicContact CG-CG 4.41Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 3.02Å; L108-K110 PolarHBondContact O-N 3.28Å; L108-K110 VanDerWaalsContact O-N 3.13Å; L108-L111 PolarHBondContact O-N 3.3Å; L108-E112 WeakPolarHBondContact O-CG 3.43Å; L108-E112 PolarHBondContact O-N 3.44Å; L108-V118 HydrophobicContact CD2-CG1 3.95Å
109G93.6Very high92.5Very high17 Ų1742.4 Ų42.418%0.17524%0.236CC..Hα-helixtrans-64.6-19.3179.300000114.8T105 L107 R113T105-G109 PolarHBondContact O-N 2.74Å; T105-G109 VanDerWaalsContact O-N 3.08Å; L107-G109 PolarHBondContact O-N 2.87Å; G109-R113 WeakPolarHBondContact O-CG 3.4Å; G109-R113 PolarHBondContact O-NE 2.95Å
110K94.6Very high92.8Very high24 Ų2438.9 Ų38.910%0.10421%0.211CC..Hα-helixtrans-84.1-37.8171.3-67.5-66.5174.3173.90112L58 D61 I65 V106 L107 L108 R113 S114L58-K110 HydrophobicContact CB-CG 4.46Å; L58-K110 WeakPolarHBondContact O-CE 3.19Å; L58-K110 PolarHBondContact O-NZ 3.18Å; D61-K110 IonicContact OD1-NZ 3.6Å; D61-K110 PolarHBondContact OD1-NZ 3.12Å; D61-K110 IonicContact OD2-NZ 3.16Å; D61-K110 PolarHBondContact OD2-NZ 2.9Å; D61-K110 VanDerWaalsContact OD2-NZ 3.08Å; I65-K110 HydrophobicContact CB-CB 4.26Å; I65-K110 HydrophobicContact CG1-CB 4.46Å; V106-K110 VanDerWaalsContact O-CG 3.32Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 3.22Å; L107-K110 PolarHBondContact O-N 2.94Å; L107-K110 VanDerWaalsContact O-N 3.1Å; L108-K110 PolarHBondContact O-N 3.28Å; L108-K110 VanDerWaalsContact O-N 3.13Å; K110-R113 PolarHBondContact O-N 3.2Å; K110-S114 PolarHBondContact O-OG 2.68Å
111L94.6Very high93.3Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-65.6-43.6176.3-69.9165.6000111I29 I65 I69 V85 V87 L107 L108 R113 S114 F115 V118I29-L111 HydrophobicContact CD1-CD1 3.83Å; I29-L111 HydrophobicContact CD1-CD2 3.69Å; I29-L111 HydrophobicContact CD1-CG 4.44Å; I65-L111 HydrophobicContact CD1-CD2 4.1Å; I65-L111 HydrophobicContact CD1-CG 4.41Å; I65-L111 HydrophobicContact CG1-CD2 3.45Å; I65-L111 VanDerWaalsContact CG1-CD2 3.45Å; I65-L111 HydrophobicContact CG1-CG 3.95Å; I69-L111 HydrophobicContact CD1-CD2 3.9Å; V85-L111 HydrophobicContact CG1-CD1 4.32Å; V85-L111 HydrophobicContact CG1-CD2 4.38Å; V87-L111 HydrophobicContact CG2-CD1 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.02Å; L107-L111 HydrophobicContact CD1-CG 4.27Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.46Å; L108-L111 PolarHBondContact O-N 3.3Å; L111-R113 PolarHBondContact O-N 3.06Å; L111-R113 VanDerWaalsContact O-N 3.09Å; L111-S114 CarbonylContact O-C 3.58Å; L111-S114 PolarHBondContact O-N 3.44Å; L111-F115 HydrophobicContact CB-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CD2 3.97Å; L111-F115 HydrophobicContact CD2-CE2 3.74Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 2.99Å; L111-V118 HydrophobicContact CB-CG1 4Å; L111-V118 HydrophobicContact CB-CG2 4Å; L111-V118 HydrophobicContact CD1-CG1 4.48Å
112E93.8Very high93.8Very high63 Ų6329.9 Ų29.929%0.29416%0.156SC..THydrogen-bonded Turntrans-61-21.4178.3-72.8172.717600113.6L108 S114 V118L108-E112 WeakPolarHBondContact O-CG 3.43Å; L108-E112 PolarHBondContact O-N 3.44Å; E112-S114 VanDerWaalsContact C-N 3.35Å; E112-V118 HydrophobicContact CG-CB 4.04Å; E112-V118 HydrophobicContact CG-CG1 4.42Å; E112-V118 HydrophobicContact CG-CG2 4.16Å
113R92.9Very high93.9Very high185 Ų18528.2 Ų28.270%0.69815%0.145SC*.THydrogen-bonded Turntrans-80.7-16.6173.6-66176-173.3-170.8-1.4113.5G109 K110 L111G109-R113 WeakPolarHBondContact O-CG 3.4Å; G109-R113 PolarHBondContact O-NE 2.95Å; K110-R113 PolarHBondContact O-N 3.2Å; L111-R113 PolarHBondContact O-N 3.06Å; L111-R113 VanDerWaalsContact O-N 3.09Å
114S91.6Very high94Very high42 Ų4227.6 Ų27.629%0.29414%0.143SC..THydrogen-bonded Turntrans-114.4-17.7-174.1-55.50000113.2I65 C81 K110 L111 E112I65-S114 WeakPolarHBondContact CG2-OG 3.49Å; C81-S114 WeakPolarHBondContact CB-O 3.48Å; K110-S114 PolarHBondContact O-OG 2.68Å; L111-S114 CarbonylContact O-C 3.58Å; L111-S114 PolarHBondContact O-N 3.44Å; E112-S114 VanDerWaalsContact C-N 3.35Å
115F93.3Very high94.1Very high5 Ų527.8 Ų27.82%0.02214%0.143CC..  trans-135.2141.7-174.5-60.8-85.3000111L27 I69 I79 D80 V85 L111 S117 V118L27-F115 HydrophobicContact CD2-CE1 4.2Å; L27-F115 HydrophobicContact CD2-CZ 3.91Å; I69-F115 HydrophobicContact CD1-CE2 3.87Å; I69-F115 HydrophobicContact CD1-CZ 3.91Å; I79-F115 HydrophobicContact CG2-CE1 3.6Å; I79-F115 HydrophobicContact CG2-CZ 3.52Å; D80-F115 WeakPolarHBondContact O-CD1 3.28Å; V85-F115 HydrophobicContact CG2-CB 3.83Å; V85-F115 HydrophobicContact CG2-CD1 3.51Å; V85-F115 HydrophobicContact CG2-CD2 3.85Å; V85-F115 HydrophobicContact CG2-CE1 3.94Å; V85-F115 HydrophobicContact CG2-CE2 4.28Å; V85-F115 HydrophobicContact CG2-CG 3.45Å; V85-F115 VanDerWaalsContact CG2-CG 3.45Å; V85-F115 HydrophobicContact CG2-CZ 4.31Å; L111-F115 HydrophobicContact CB-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CD2 3.97Å; L111-F115 HydrophobicContact CD2-CE2 3.74Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 2.99Å; F115-S117 VanDerWaalsContact C-N 3.33Å; F115-V118 HydrophobicContact CB-CG2 3.81Å
116N91.8Very high94Very high120 Ų12029 Ų2964%0.64215%0.154SC*.SBendtrans-79-18.7-178.5-63.9-21.5000112.7C81 N82C81-N116 PolarHBondContact O-N 3.01Å; N82-N116 PolarHBondContact OD1-ND2 3.02Å
117S92.7Very high93.8Very high34 Ų3430.8 Ų30.824%0.23816%0.162CC..EExtended strand (participates in β ladder)trans-137.1101.8-176-1600000110.2V85 F115 H119V85-S117 PolarHBondContact N-O 3.39Å; F115-S117 VanDerWaalsContact C-N 3.33Å; S117-H119 PolarHBondContact OG-NE2 3.01Å
118V95.4Very high93.8Very high10 Ų1030.8 Ų30.86%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-125.2128.2179.9-175.90000108.8T8 V85 V87 L108 L111 E112 F115T8-V118 PolarHBondContact OG1-O 3.26Å; V85-V118 HydrophobicContact CB-CG2 4.28Å; V85-V118 CarbonylContact O-C 3.54Å; V85-V118 WeakPolarHBondContact O-CA 3.12Å; V87-V118 HydrophobicContact CG2-CG1 4.34Å; L108-V118 HydrophobicContact CD2-CG1 3.95Å; L111-V118 HydrophobicContact CB-CG1 4Å; L111-V118 HydrophobicContact CB-CG2 4Å; L111-V118 HydrophobicContact CD1-CG1 4.48Å; E112-V118 HydrophobicContact CG-CB 4.04Å; E112-V118 HydrophobicContact CG-CG1 4.42Å; E112-V118 HydrophobicContact CG-CG2 4.16Å; F115-V118 HydrophobicContact CB-CG2 3.81Å
119H95.4Very high93.4Very high27 Ų2731.3 Ų31.313%0.12517%0.165CC..EExtended strand (participates in β ladder)trans-129.2143-177.4-55.2-97.8000111.8T8 I10 V85 V86 V87 S117T8-H119 WeakPolarHBondContact CB-ND1 3.19Å; T8-H119 CarbonylContact O-C 3.59Å; T8-H119 WeakPolarHBondContact O-CA 3.14Å; T8-H119 PolarHBondContact OG1-CE1 2.97Å; T8-H119 PolarHBondContact OG1-ND1 3.48Å; I10-H119 HydrophobicContact CB-CB 4.15Å; I10-H119 HydrophobicContact CG2-CB 3.9Å; V85-H119 PolarHBondContact O-N 2.99Å; V86-H119 CarbonylContact C-O 3.56Å; V86-H119 WeakPolarHBondContact CA-O 3.22Å; V86-H119 HydrophobicContact CG2-CB 4.45Å; V87-H119 PolarHBondContact N-O 2.87Å; S117-H119 PolarHBondContact OG-NE2 3.01Å
120L96.3Very high93Very high0 Ų038.7 Ų38.70%019%0.188CC..EExtended strand (participates in β ladder)trans-87.9131.6164.7179.465.5000109.3T8 Q9 I10 V87 V95 L98 L104 A122T8-L120 PolarHBondContact O-N 3.23Å; Q9-L120 WeakPolarHBondContact CA-O 3.38Å; I10-L120 PolarHBondContact N-O 3.35Å; V87-L120 CarbonylContact O-C 3.6Å; V87-L120 WeakPolarHBondContact O-CA 3.46Å; V95-L120 HydrophobicContact CG2-CB 3.82Å; V95-L120 HydrophobicContact CG2-CD2 3.8Å; V95-L120 HydrophobicContact CG2-CG 4.46Å; L98-L120 HydrophobicContact CD1-CD2 4.42Å; L104-L120 HydrophobicContact CD1-CD1 4.23Å; L104-L120 HydrophobicContact CD2-CD1 3.8Å; L104-L120 HydrophobicContact CG-CD1 4.46Å; L120-A122 PolarHBondContact O-N 3.13Å
121L96.9Very high92.6Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-73.7110.1169.6-177.962.4000109.7I10 L15 I42 V86 V87 Y88 G123 G124 F128I10-L121 HydrophobicContact CG2-CD1 4.2Å; I10-L121 WeakPolarHBondContact O-CA 3.39Å; L15-L121 HydrophobicContact CB-CD1 4.18Å; L15-L121 HydrophobicContact CD2-CD1 3.81Å; L15-L121 HydrophobicContact CD2-CD2 3.88Å; L15-L121 HydrophobicContact CD2-CG 4.43Å; I42-L121 HydrophobicContact CD1-CD2 3.78Å; V86-L121 HydrophobicContact CG1-CB 4.12Å; V87-L121 PolarHBondContact O-N 3.07Å; Y88-L121 HydrophobicContact CG-CD2 4.15Å; L121-G123 PolarHBondContact O-N 3.21Å; L121-G124 PolarHBondContact O-N 3.09Å; L121-G124 VanDerWaalsContact O-N 3.1Å; L121-F128 HydrophobicContact CD2-CB 4.1Å; L121-F128 HydrophobicContact CD2-CD2 4.05Å; L121-F128 HydrophobicContact CD2-CG 4.4Å
122A94.8Very high92.1Very high8 Ų841.9 Ų41.97%0.06621%0.207CC..THydrogen-bonded Turntrans-62131.9176.400000110.4I10 Q93 L120 G124I10-A122 PolarHBondContact O-N 3.25Å; Q93-A122 WeakPolarHBondContact O-CA 3.28Å; Q93-A122 WeakPolarHBondContact O-CB 3.33Å; L120-A122 PolarHBondContact O-N 3.13Å; A122-G124 PolarHBondContact O-N 2.89Å
123G90.4Very high91.4Very high2 Ų241.8 Ų41.82%0.02121%0.211CC..THydrogen-bonded Turntrans79.8-2.7-176.500000115.3S91 S92 Q93 L121 E127S91-G123 WeakPolarHBondContact CA-O 3.11Å; S92-G123 PolarHBondContact O-N 3.4Å; Q93-G123 VanDerWaalsContact NE2-CA 3.25Å; L121-G123 PolarHBondContact O-N 3.21Å; G123-E127 VanDerWaalsContact CA-OE2 3.28Å; G123-E127 WeakPolarHBondContact CA-OE2 3.1Å; G123-E127 WeakPolarHBondContact O-CB 3.13Å; G123-E127 PolarHBondContact O-N 3.38Å; G123-E127 VanDerWaalsContact O-N 3.17Å
124G95.6Very high90.6Very high0 Ų035.4 Ų35.40%020%0.203CC..Hα-helixtrans53.3-153.5175.600000114D89 L121 A122 A126 F128D89-G124 CarbonylContact O-C 3.58Å; D89-G124 WeakPolarHBondContact O-CA 3.27Å; L121-G124 PolarHBondContact O-N 3.09Å; L121-G124 VanDerWaalsContact O-N 3.1Å; A122-G124 PolarHBondContact O-N 2.89Å; G124-A126 VanDerWaalsContact C-N 3.34Å; G124-A126 PolarHBondContact O-N 2.77Å; G124-F128 PolarHBondContact O-N 3.37Å
125F95.5Very high90.1Very high12 Ų1235.8 Ų35.85%0.05320%0.202CC..Hα-helixtrans-66.7-33.5179.9-175.7-104.7000113.4R32 S40 H41 I42 Y88 D89 Q90 E127 F128 S129 C136R32-F125 VanDerWaalsContact NH1-CG 3.29Å; S40-F125 VanDerWaalsContact C-CZ 3.44Å; S40-F125 WeakPolarHBondContact O-CE1 3.4Å; S40-F125 WeakPolarHBondContact O-CZ 3.12Å; S40-F125 WeakPolarHBondContact OG-CZ 3.5Å; H41-F125 VanDerWaalsContact C-CE2 3.49Å; I42-F125 HydrophobicContact CG1-CD2 4Å; I42-F125 HydrophobicContact CG1-CE2 4.23Å; Y88-F125 HydrophobicContact CD2-CB 3.81Å; Y88-F125 HydrophobicContact CE2-CB 3.81Å; Y88-F125 AromaticContact CE2-CD2 3.8Å; Y88-F125 HydrophobicContact CE2-CD2 3.8Å; Y88-F125 HydrophobicContact CE2-CG 4.19Å; D89-F125 PolarHBondContact O-N 3Å; Q90-F125 PolarHBondContact O-N 3.39Å; F125-E127 VanDerWaalsContact C-N 3.34Å; F125-E127 PolarHBondContact O-N 2.91Å; F125-F128 PolarHBondContact O-N 3.17Å; F125-S129 WeakPolarHBondContact O-CB 3.33Å; F125-S129 PolarHBondContact O-N 3.46Å; F125-S129 PolarHBondContact O-OG 2.93Å; F125-C136 HydrophobicContact CE2-CB 4.47Å
126A90.8Very high89.5Confident40 Ų4036 Ų3633%0.33120%0.203SC..Hα-helixtrans-59.9-46.8-178.500000111.2Q90 G124 R130Q90-A126 WeakPolarHBondContact O-CB 3.02Å; Q90-A126 PolarHBondContact O-N 3.41Å; G124-A126 VanDerWaalsContact C-N 3.34Å; G124-A126 PolarHBondContact O-N 2.77Å; A126-R130 WeakPolarHBondContact O-CB 3.32Å; A126-R130 PolarHBondContact O-N 3.46Å
127E90.9Very high88.7Confident57 Ų5733.3 Ų33.327%0.26619%0.187SC..Hα-helixtrans-71.4-47178-169.7165.3167.400111.8Q93 G123 F125 S129 R130 C131Q93-E127 PolarHBondContact NE2-OE2 3.32Å; G123-E127 VanDerWaalsContact CA-OE2 3.28Å; G123-E127 WeakPolarHBondContact CA-OE2 3.1Å; G123-E127 WeakPolarHBondContact O-CB 3.13Å; G123-E127 PolarHBondContact O-N 3.38Å; G123-E127 VanDerWaalsContact O-N 3.17Å; F125-E127 VanDerWaalsContact C-N 3.34Å; F125-E127 PolarHBondContact O-N 2.91Å; E127-S129 PolarHBondContact O-N 3.18Å; E127-R130 WeakPolarHBondContact O-CB 3.43Å; E127-R130 PolarHBondContact O-N 3.43Å; E127-R130 VanDerWaalsContact O-N 3.13Å; E127-C131 PolarHBondContact O-N 2.72Å; E127-C131 VanDerWaalsContact O-N 3.07Å
128F93.1Very high87.1Confident0 Ų034.8 Ų34.80%021%0.207CC..Hα-helixtrans-57-50179.4-172.6-77000112.4T12 L15 V16 L19 I42 L121 G124 F125 R130 C131 F132 L135T12-F128 HydrophobicContact CG2-CB 3.9Å; T12-F128 HydrophobicContact CG2-CD2 3.41Å; T12-F128 VanDerWaalsContact CG2-CD2 3.41Å; T12-F128 HydrophobicContact CG2-CE2 4.14Å; T12-F128 HydrophobicContact CG2-CG 3.88Å; L15-F128 HydrophobicContact CD2-CD2 3.9Å; L15-F128 HydrophobicContact CD2-CE2 3.66Å; L15-F128 HydrophobicContact CG-CE2 4.09Å; V16-F128 HydrophobicContact CG2-CE2 3.77Å; V16-F128 HydrophobicContact CG2-CZ 3.99Å; L19-F128 HydrophobicContact CD1-CZ 4.48Å; I42-F128 HydrophobicContact CB-CD1 4.47Å; I42-F128 HydrophobicContact CB-CE1 4.18Å; I42-F128 HydrophobicContact CD1-CB 4.05Å; I42-F128 HydrophobicContact CD1-CD1 3.64Å; I42-F128 HydrophobicContact CD1-CD2 3.61Å; I42-F128 HydrophobicContact CD1-CE1 3.96Å; I42-F128 HydrophobicContact CD1-CE2 3.94Å; I42-F128 HydrophobicContact CD1-CG 3.47Å; I42-F128 VanDerWaalsContact CD1-CG 3.47Å; I42-F128 HydrophobicContact CD1-CZ 4.11Å; I42-F128 HydrophobicContact CG1-CD1 3.52Å; I42-F128 HydrophobicContact CG1-CD2 4.4Å; I42-F128 HydrophobicContact CG1-CE1 3.71Å; I42-F128 HydrophobicContact CG1-CG 3.91Å; I42-F128 HydrophobicContact CG1-CZ 4.25Å; I42-F128 HydrophobicContact CG2-CD1 4.34Å; I42-F128 HydrophobicContact CG2-CE1 3.62Å; I42-F128 HydrophobicContact CG2-CE2 4.31Å; I42-F128 HydrophobicContact CG2-CZ 3.61Å; L121-F128 HydrophobicContact CD2-CB 4.1Å; L121-F128 HydrophobicContact CD2-CD2 4.05Å; L121-F128 HydrophobicContact CD2-CG 4.4Å; G124-F128 PolarHBondContact O-N 3.37Å; F125-F128 PolarHBondContact O-N 3.17Å; F128-R130 PolarHBondContact O-N 2.7Å; F128-C131 PolarHBondContact O-N 3.24Å; F128-F132 HydrophobicContact CD1-CB 4.42Å; F128-F132 HydrophobicContact CE1-CB 4.01Å; F128-F132 HydrophobicContact CZ-CB 4.21Å; F128-F132 PolarHBondContact O-N 3.29Å; F128-L135 HydrophobicContact CE1-CB 3.9Å; F128-L135 HydrophobicContact CZ-CB 4Å; F128-L135 HydrophobicContact CZ-CD1 4.3Å
129S88.2Confident85Confident12 Ų1238.6 Ų38.68%0.08422%0.223CC..Hα-helixtrans-71.4-14.7-176.480.50000113.6F125 E127 K139F125-S129 WeakPolarHBondContact O-CB 3.33Å; F125-S129 PolarHBondContact O-N 3.46Å; F125-S129 PolarHBondContact O-OG 2.93Å; E127-S129 PolarHBondContact O-N 3.18Å; S129-K139 VanDerWaalsContact CB-NZ 3.27Å; S129-K139 PolarHBondContact O-NZ 2.93Å; S129-K139 PolarHBondContact OG-NZ 3.21Å; S129-K139 VanDerWaalsContact OG-NZ 3.09Å
130R85.3Confident82.1Confident171 Ų17143 Ų4365%0.64526%0.257SS*.Hα-helixtrans-80.9-44.8172.3-177.7-170.964.874.5-1.3110.8A126 E127 F128A126-R130 WeakPolarHBondContact O-CB 3.32Å; A126-R130 PolarHBondContact O-N 3.46Å; E127-R130 WeakPolarHBondContact O-CB 3.43Å; E127-R130 PolarHBondContact O-N 3.43Å; E127-R130 VanDerWaalsContact O-N 3.13Å; F128-R130 PolarHBondContact O-N 2.7Å
131C85.1Confident79.3Confident40 Ų4048.3 Ų48.327%0.2729%0.29SS..Hα-helixtrans-77.9-38.9-179.4-65.70000112.5T12 E127 F128 P133T12-C131 HydrophobicContact CG2-CB 4.36Å; E127-C131 PolarHBondContact O-N 2.72Å; E127-C131 VanDerWaalsContact O-N 3.07Å; F128-C131 PolarHBondContact O-N 3.24Å; C131-P133 VanDerWaalsContact C-CD 3.45Å; C131-P133 WeakPolarHBondContact O-CD 3.3Å
132F83.3Confident76.3Confident52 Ų5255.9 Ų55.923%0.22833%0.329CS..  trans-130.259.8-171.5-55.2-82.7000112.4T12 E13 V16 F128 G134 L135T12-F132 HydrophobicContact CG2-CD2 3.33Å; T12-F132 HydrophobicContact CG2-CE2 3.32Å; E13-F132 HydrophobicContact CG-CZ 4.3Å; V16-F132 HydrophobicContact CB-CD1 4.43Å; V16-F132 HydrophobicContact CB-CE1 4.18Å; V16-F132 HydrophobicContact CB-CZ 4.27Å; V16-F132 HydrophobicContact CG1-CD1 4.17Å; V16-F132 HydrophobicContact CG1-CE1 4.01Å; V16-F132 HydrophobicContact CG2-CB 4.33Å; V16-F132 HydrophobicContact CG2-CD1 3.73Å; V16-F132 HydrophobicContact CG2-CD2 3.64Å; V16-F132 HydrophobicContact CG2-CE1 3.84Å; V16-F132 HydrophobicContact CG2-CE2 3.78Å; V16-F132 HydrophobicContact CG2-CG 3.62Å; V16-F132 HydrophobicContact CG2-CZ 3.87Å; F128-F132 HydrophobicContact CD1-CB 4.42Å; F128-F132 HydrophobicContact CE1-CB 4.01Å; F128-F132 HydrophobicContact CZ-CB 4.21Å; F128-F132 PolarHBondContact O-N 3.29Å; F132-G134 PolarHBondContact O-N 3.23Å; F132-L135 HydrophobicContact CB-CB 4.36Å; F132-L135 HydrophobicContact CB-CD1 4.2Å; F132-L135 HydrophobicContact CB-CG 4.48Å; F132-L135 PolarHBondContact O-N 3.07Å
133P80.1Confident73.1Confident60 Ų6061.6 Ų61.639%0.3936%0.363SS..G310 helixtrans-61.5-27.1-177.225.7-35.2000113.7C131 L135 C136 K139C131-P133 VanDerWaalsContact C-CD 3.45Å; C131-P133 WeakPolarHBondContact O-CD 3.3Å; P133-L135 PolarHBondContact O-N 2.77Å; P133-C136 PolarHBondContact O-N 3.26Å; P133-K139 HydrophobicContact CB-CD 4.22Å
134G75.9Confident70.8Confident51 Ų5167.1 Ų67.153%0.52640%0.399SS..G310 helixtrans-71.9-14.6177.500000114.4F132F132-G134 PolarHBondContact O-N 3.23Å
135L81.4Confident67.7Low51 Ų5173.8 Ų73.827%0.26744%0.439SS..G310 helixtrans-99.619.1175.6-62.7178.4000112V16 L43 F128 F132 P133V16-L135 HydrophobicContact CB-CD1 4.41Å; V16-L135 HydrophobicContact CG1-CD1 3.84Å; V16-L135 HydrophobicContact CG2-CD1 3.82Å; L43-L135 HydrophobicContact CD1-CD2 4.41Å; L43-L135 WeakPolarHBondContact CG-O 3.46Å; L43-L135 PolarHBondContact N-O 3.39Å; F128-L135 HydrophobicContact CE1-CB 3.9Å; F128-L135 HydrophobicContact CZ-CB 4Å; F128-L135 HydrophobicContact CZ-CD1 4.3Å; F132-L135 HydrophobicContact CB-CB 4.36Å; F132-L135 HydrophobicContact CB-CD1 4.2Å; F132-L135 HydrophobicContact CB-CG 4.48Å; F132-L135 PolarHBondContact O-N 3.07Å; P133-L135 PolarHBondContact O-N 2.77Å
136C81.3Confident64.4Low8 Ų878.7 Ų78.75%0.05447%0.474CS..EExtended strand (participates in β ladder)trans-115.1130.2176.2-63.40000111.1H41 F125 P133H41-C136 CarbonylContact O-C 3.6Å; H41-C136 WeakPolarHBondContact O-CA 3.27Å; H41-C136 WeakPolarHBondContact O-CB 3.47Å; F125-C136 HydrophobicContact CE2-CB 4.47Å; P133-C136 PolarHBondContact O-N 3.26Å
137E74.7Confident62.2Low65 Ų6585.2 Ų85.230%0.30450%0.502SS..EExtended strand (participates in β ladder)trans-66.9143.9166.9-149173.5159.800109.1S40 H41 L43 K74 K139S40-E137 VanDerWaalsContact CA-O 3.24Å; S40-E137 WeakPolarHBondContact CA-O 3.5Å; S40-E137 WeakPolarHBondContact CB-O 3.31Å; S40-E137 PolarHBondContact OG-O 2.95Å; H41-E137 IonicContact CE1-OE2 2.62Å; H41-E137 PolarHBondContact N-O 3.12Å; H41-E137 IonicContact NE2-OE2 2.74Å; H41-E137 PolarHBondContact NE2-OE2 3.2Å; H41-E137 VanDerWaalsContact NE2-OE2 3.16Å; H41-E137 PolarHBondContact O-N 3.23Å; L43-E137 HydrophobicContact CD2-CB 3.92Å; L43-E137 HydrophobicContact CD2-CG 4.27Å; K74-E137 IonicContact NZ-OE1 2.67Å; K74-E137 IonicContact NZ-OE2 3.76Å; K74-E137 PolarHBondContact NZ-OE2 3.39Å; E137-K139 PolarHBondContact O-N 2.93Å
138G58.3Low59.4Low64 Ų6487.2 Ų87.266%0.6652%0.522SS*.THydrogen-bonded Turntrans86.5-13176.400000116.8
139K51.5Low56.5Low90 Ų9095.8 Ų95.839%0.39156%0.562SS.*  trans-94.299.1168.2-75.3-171.6-172.9-177.30109.8S129 P133 E137 T141S129-K139 VanDerWaalsContact CB-NZ 3.27Å; S129-K139 PolarHBondContact O-NZ 2.93Å; S129-K139 PolarHBondContact OG-NZ 3.21Å; S129-K139 VanDerWaalsContact OG-NZ 3.09Å; P133-K139 HydrophobicContact CB-CD 4.22Å; E137-K139 PolarHBondContact O-N 2.93Å; K139-T141 PolarHBondContact O-N 2.78Å
140S35.5Very low54Low121 Ų121100.9 Ų100.985%0.84659%0.594SS**  trans-64.9120.7174.9-157.10000110.1L142S140-L142 PolarHBondContact O-N 3.5Å
141T36.6Very low51.3Low111 Ų11198 Ų9868%0.68160%0.599SS**  trans-65.393.6174.238.70000110.9K139K139-T141 PolarHBondContact O-N 2.78Å
142L33.1Very low48.7Very low158 Ų158103.5 Ų103.583%0.82763%0.625SS**  trans-154.5101.4149.9-75.1-173.7000110.8S140S140-L142 PolarHBondContact O-N 3.5Å
143V27.7Very low46.5Very low129 Ų129105.9 Ų105.978%0.78265%0.646SS**  trans73.3138.5149.6-165.10000117.7
144P42.7Very low44.4Very low118 Ų118108 Ų10877%0.76666%0.658SS**  trans-82.3140.9-159.832.5-31.6000112
145T31.6Very low42.6Very low139 Ų139109.2 Ų109.285%0.85366%0.662SS**  trans-129.4132.6165.812.60000112
146C25.7Very low40.9Very low116 Ų116111.3 Ų111.378%0.78467%0.674SS**  trans-54.9150.3-174.1-320000112.6S148C146-S148 PolarHBondContact O-N 3.15Å
147I43.8Very low40Very low177 Ų177118.5 Ų118.591%0.90871%0.71SS**  trans-55.2115.7165.4-63.3164.2000109.3
148S32.7Very low40.1Very low99 Ų99116.2 Ų116.269%0.69270%0.704SS**  trans-169.6115.1143.555.40000112.4C146C146-S148 PolarHBondContact O-N 3.15Å
149Q31.6Very low41.4Very low180 Ų180114 Ų11484%0.84168%0.677SS**  trans75149.5145.3-80.8-179-23.800122.1C151Q149-C151 PolarHBondContact O-N 2.97Å
150P35.3Very low43Very low118 Ų118112.8 Ų112.877%0.76668%0.678SS**  trans-79.6112.9-168.532.4-31.7000110.4L152P150-L152 PolarHBondContact O-N 3.43Å; P150-L152 VanDerWaalsContact O-N 3.11Å
151C29.2Very low45.1Very low110 Ų110115.1 Ų115.174%0.74367%0.668SS**  trans-78.399.3173.135.90000110.8Q149Q149-C151 PolarHBondContact O-N 2.97Å
152L31.5Very low47.2Very low156 Ų156110.6 Ų110.682%0.81764%0.64SS**  trans-45.7156.6155.8-78.8172.6000111.7P150 V154P150-L152 PolarHBondContact O-N 3.43Å; P150-L152 VanDerWaalsContact O-N 3.11Å; L152-V154 PolarHBondContact O-N 3.36Å
153P36.6Very low49.3Very low103 Ų103104.3 Ų104.367%0.66961%0.607SS**  trans-67.1126.7-15925.6-32.7000112.5A155P153-A155 PolarHBondContact O-N 3.45Å; P153-A155 VanDerWaalsContact O-N 3.15Å
154V36.2Very low51.8Low105 Ų105103.1 Ų103.164%0.63660%0.602SS**  trans-49.4121.6158.9174.70000107.3L152 N156L152-V154 PolarHBondContact O-N 3.36Å; V154-N156 PolarHBondContact O-N 3.08Å
155A37.3Very low53.8Low75 Ų75100 Ų10062%0.6258%0.579SS**  trans-55.6114.1178.400000109.6P153 I157P153-A155 PolarHBondContact O-N 3.45Å; P153-A155 VanDerWaalsContact O-N 3.15Å; A155-I157 PolarHBondContact O-N 3.45Å; A155-I157 VanDerWaalsContact O-N 3.14Å
156N45.4Very low56.6Low96 Ų9693.5 Ų93.551%0.51354%0.539SS..  trans-65.3109.6165.2-75.2-21.1000107.4V154 G158V154-N156 PolarHBondContact O-N 3.08Å; N156-G158 PolarHBondContact O-N 3.23Å
157I63.9Low59.7Low159 Ų15988.8 Ų88.882%0.81550%0.504SS*.  trans-82.352.6179.2-52160000109.1A155A155-I157 PolarHBondContact O-N 3.45Å; A155-I157 VanDerWaalsContact O-N 3.14Å
158G76.9Confident62Low16 Ų1681.2 Ų81.217%0.16547%0.466CS..SBendtrans96.4-172.7177.400000116.9N156N156-G158 PolarHBondContact O-N 3.23Å
159P85.4Confident64.6Low17 Ų1776.8 Ų76.811%0.1144%0.436CS..PPolyproline II helixtrans-75.6148.3-176.532.5-34.5000111.4Y167 L168 D173 L179 I185 L241P159-Y167 HydrophobicContact CB-CD1 4.34Å; P159-Y167 HydrophobicContact CG-CD1 4.16Å; P159-L168 CarbonylContact C-O 3.27Å; P159-L168 WeakPolarHBondContact CA-O 3.38Å; P159-D173 HydrophobicContact CB-CB 4.15Å; P159-D173 HydrophobicContact CG-CB 4.32Å; P159-L179 HydrophobicContact CG-CD2 3.53Å; P159-I185 HydrophobicContact CG-CD1 4.25Å; P159-L241 HydrophobicContact CB-CD1 3.73Å; P159-L241 HydrophobicContact CG-CD1 4.47Å
160T83.3Confident67.3Low66 Ų6668.8 Ų68.841%0.40540%0.4SS..EExtended strand (participates in β ladder)trans-85.7124.7-178.9-56.50000110.4I162 Y167 L168T160-I162 PolarHBondContact O-N 2.73Å; T160-Y167 CarbonylContact O-C 3.43Å; T160-Y167 WeakPolarHBondContact O-CA 3.25Å; T160-L168 PolarHBondContact N-O 2.9Å; T160-L168 PolarHBondContact O-N 2.82Å
161R81Confident69.9Low169 Ų16965.5 Ų65.564%0.63837%0.374SS*.EExtended strand (participates in β ladder)trans-73.9118.9171.9-166.1170.969.7-175.20.6110.5L163 Y167R161-L163 VanDerWaalsContact CG-O 3.25Å; R161-L163 WeakPolarHBondContact CG-O 3.48Å; R161-Y167 HydrophobicContact CB-CD1 3.83Å; R161-Y167 HydrophobicContact CB-CE1 3.48Å; R161-Y167 VanDerWaalsContact CB-CE1 3.48Å; R161-Y167 WeakPolarHBondContact CD-OH 3.32Å; R161-Y167 HydrophobicContact CG-CD1 4.29Å; R161-Y167 HydrophobicContact CG-CD2 4.5Å; R161-Y167 HydrophobicContact CG-CE1 3.83Å; R161-Y167 HydrophobicContact CG-CE2 4.05Å
162I80.4Confident72.7Confident17 Ų1767.8 Ų67.89%0.08737%0.367CS..EExtended strand (participates in β ladder)trans-98.2-39.7179.1-60.8-176.7000111T160 L166 L168 A255 I259 Q274T160-I162 PolarHBondContact O-N 2.73Å; I162-L166 PolarHBondContact N-O 3.4Å; I162-L168 HydrophobicContact CD1-CB 3.34Å; I162-L168 HydrophobicContact CD1-CD2 3.9Å; I162-L168 HydrophobicContact CD1-CG 4.21Å; I162-L168 HydrophobicContact CG1-CB 3.99Å; I162-A255 HydrophobicContact CD1-CB 3.8Å; I162-I259 HydrophobicContact CG2-CD1 3.58Å; I162-I259 HydrophobicContact CG2-CG1 4.33Å; I162-Q274 HydrophobicContact CD1-CG 3.89Å; I162-Q274 HydrophobicContact CG1-CG 4.44Å
163L77.9Confident75.5Confident26 Ų2660.8 Ų60.814%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-138166.7174.4-61170.6000108.7R161 N165 L166 Y258 M263R161-L163 VanDerWaalsContact CG-O 3.25Å; R161-L163 WeakPolarHBondContact CG-O 3.48Å; L163-N165 PolarHBondContact O-N 3.49Å; L163-L166 HydrophobicContact CB-CB 3.9Å; L163-L166 HydrophobicContact CD1-CB 4.46Å; L163-L166 HydrophobicContact CD1-CD2 4.07Å; L163-L166 PolarHBondContact N-O 3.25Å; L163-L166 VanDerWaalsContact N-O 3.1Å; L163-L166 PolarHBondContact O-N 2.97Å; L163-L166 VanDerWaalsContact O-O 3.12Å; L163-Y258 HydrophobicContact CD1-CD1 4.26Å; L163-Y258 HydrophobicContact CD1-CE1 3.66Å; L163-M263 HydrophobicContact CD2-SD 3.89Å
164P79.7Confident78.2Confident104 Ų10455.9 Ų55.968%0.67530%0.299SS*.THydrogen-bonded Turntrans-48-40.5-178-31.737.3000114.5
165N84.6Confident80.8Confident52 Ų5255 Ų5528%0.27829%0.29SS..THydrogen-bonded Turntrans-113.721-178.9-63.1-13.9000113.3L163 K234 C239 V240L163-N165 PolarHBondContact O-N 3.49Å; N165-K234 HydrophobicContact CB-CG 4.31Å; N165-C239 VanDerWaalsContact C-SG 3.52Å; N165-V240 PolarHBondContact O-N 3.27Å
166L90.6Very high83.3Confident2 Ų254.9 Ų54.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-139.3120.7-176.9-168.264.2000112.2I162 L163 I230 V240 I242 Y258I162-L166 PolarHBondContact N-O 3.4Å; L163-L166 HydrophobicContact CB-CB 3.9Å; L163-L166 HydrophobicContact CD1-CB 4.46Å; L163-L166 HydrophobicContact CD1-CD2 4.07Å; L163-L166 PolarHBondContact N-O 3.25Å; L163-L166 VanDerWaalsContact N-O 3.1Å; L163-L166 PolarHBondContact O-N 2.97Å; L163-L166 VanDerWaalsContact O-O 3.12Å; L166-I230 HydrophobicContact CD1-CD1 4.46Å; L166-I230 HydrophobicContact CD1-CG1 4.41Å; L166-I230 HydrophobicContact CD1-CG2 4.01Å; L166-V240 WeakPolarHBondContact CA-O 3.42Å; L166-V240 HydrophobicContact CD1-CB 3.85Å; L166-V240 HydrophobicContact CD1-CG1 4.12Å; L166-I242 HydrophobicContact CD1-CD1 3.73Å; L166-I242 HydrophobicContact CD1-CG1 3.84Å; L166-I242 HydrophobicContact CD2-CD1 4.25Å; L166-I242 HydrophobicContact CG-CD1 4.28Å; L166-Y258 HydrophobicContact CD2-CD1 3.49Å; L166-Y258 VanDerWaalsContact CD2-CD1 3.49Å; L166-Y258 HydrophobicContact CD2-CE1 3.72Å; L166-Y258 HydrophobicContact CD2-CG 4.37Å
167Y90.7Very high85.6Confident17 Ų1755.2 Ų55.27%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-114.9153.2175.9-71.1-103.4000111.3P159 T160 R161 N183 I185 C239 V240 I242P159-Y167 HydrophobicContact CB-CD1 4.34Å; P159-Y167 HydrophobicContact CG-CD1 4.16Å; T160-Y167 CarbonylContact O-C 3.43Å; T160-Y167 WeakPolarHBondContact O-CA 3.25Å; R161-Y167 HydrophobicContact CB-CD1 3.83Å; R161-Y167 HydrophobicContact CB-CE1 3.48Å; R161-Y167 VanDerWaalsContact CB-CE1 3.48Å; R161-Y167 WeakPolarHBondContact CD-OH 3.32Å; R161-Y167 HydrophobicContact CG-CD1 4.29Å; R161-Y167 HydrophobicContact CG-CD2 4.5Å; R161-Y167 HydrophobicContact CG-CE1 3.83Å; R161-Y167 HydrophobicContact CG-CE2 4.05Å; Y167-N183 HydrophobicContact CE1-CB 4.14Å; Y167-N183 HydrophobicContact CE2-CB 4.34Å; Y167-N183 PolarHBondContact OH-OD1 3.08Å; Y167-I185 HydrophobicContact CD2-CD1 4.22Å; Y167-I185 HydrophobicContact CD2-CG1 4.1Å; Y167-I185 HydrophobicContact CE2-CG1 4.42Å; Y167-I185 HydrophobicContact CG-CD1 4.13Å; Y167-C239 WeakPolarHBondContact CD2-SG 3.46Å; Y167-C239 WeakPolarHBondContact CE2-SG 3.33Å; Y167-V240 PolarHBondContact N-O 2.89Å; Y167-I242 PolarHBondContact O-N 2.97Å
168L90.6Very high86.9Confident18 Ų1852.5 Ų52.59%0.09426%0.263CS..EExtended strand (participates in β ladder)trans-121.3132171.3172.169.5000109.7P159 T160 I162 I242 S251 A252 Q274P159-L168 CarbonylContact C-O 3.27Å; P159-L168 WeakPolarHBondContact CA-O 3.38Å; T160-L168 PolarHBondContact N-O 2.9Å; T160-L168 PolarHBondContact O-N 2.82Å; I162-L168 HydrophobicContact CD1-CB 3.34Å; I162-L168 HydrophobicContact CD1-CD2 3.9Å; I162-L168 HydrophobicContact CD1-CG 4.21Å; I162-L168 HydrophobicContact CG1-CB 3.99Å; L168-I242 WeakPolarHBondContact CA-O 3.32Å; L168-S251 VanDerWaalsContact CD1-CB 3.5Å; L168-S251 WeakPolarHBondContact CD1-OG 3.48Å; L168-A252 HydrophobicContact CD2-CB 4.11Å; L168-Q274 HydrophobicContact CD2-CG 4.45Å
169G88.9Confident87.5Confident6 Ų652.8 Ų52.86%0.06226%0.26CS..EExtended strand (participates in β ladder)trans-155.9-167.3-179.700000114.3D173 I242 H243 G247G169-D173 VanDerWaalsContact CA-OD2 3.28Å; G169-D173 WeakPolarHBondContact CA-OD2 3.29Å; G169-I242 PolarHBondContact N-O 3.41Å; G169-H243 VanDerWaalsContact O-CA 3.28Å; G169-H243 WeakPolarHBondContact O-CA 3.48Å; G169-H243 WeakPolarHBondContact O-CB 3.49Å; G169-G247 WeakPolarHBondContact O-CA 3.37Å
170C86.8Confident87.9Confident13 Ų1352 Ų529%0.08826%0.256CS..  trans-115178.318071.60000111.6R172 D173 V174 C244 L245 A246C170-R172 PolarHBondContact O-N 2.85Å; C170-D173 PolarHBondContact N-OD2 2.55Å; C170-D173 PolarHBondContact O-N 3.31Å; C170-D173 VanDerWaalsContact SG-CG 3.58Å; C170-D173 PolarHBondContact SG-OD2 3.1Å; C170-V174 PolarHBondContact O-N 3.49Å; C170-C244 CarbonylContact C-O 3.43Å; C170-L245 WeakPolarHBondContact CB-O 3.21Å; C170-A246 VanDerWaalsContact CB-C 3.44Å
171Q90.5Very high88.3Confident49 Ų4954.9 Ų54.923%0.22926%0.264CS..Hα-helixtrans-59.9-35178.5177.6177.9-25.900112.4D173 V174 L175 C195 C244 L245Q171-D173 VanDerWaalsContact C-N 3.27Å; Q171-D173 PolarHBondContact O-N 2.78Å; Q171-V174 WeakPolarHBondContact O-CG1 3.41Å; Q171-V174 PolarHBondContact O-N 3Å; Q171-L175 HydrophobicContact CG-CD1 3.94Å; Q171-L175 HydrophobicContact CG-CG 4.42Å; Q171-L175 WeakPolarHBondContact O-CG 3.21Å; Q171-L175 PolarHBondContact O-N 3.02Å; Q171-C195 HydrophobicContact CB-CB 4.48Å; Q171-C195 HydrophobicContact CG-CB 4.23Å; Q171-C195 PolarHBondContact OE1-SG 3.44Å; Q171-C244 PolarHBondContact N-O 3.01Å; Q171-L245 HydrophobicContact CB-CD1 4.44Å; Q171-L245 PolarHBondContact N-O 3.33Å; Q171-L245 VanDerWaalsContact N-O 3.11Å; Q171-L245 VanDerWaalsContact OE1-CD1 3.29Å
172R88.2Confident88.7Confident157 Ų15754.4 Ų54.459%0.59227%0.269SS*.Hα-helixtrans-64.1-35.7179.9-175.8175.359.9-168.8-1.8111.9C170 N176C170-R172 PolarHBondContact O-N 2.85Å; R172-N176 PolarHBondContact O-N 3.19Å
173D90.1Very high89Confident10 Ų1056.1 Ų56.15%0.05328%0.278CS..Hα-helixtrans-68.8-44.2-178.2-54.7-38.6000111P159 G169 C170 Q171 L175 N176P159-D173 HydrophobicContact CB-CB 4.15Å; P159-D173 HydrophobicContact CG-CB 4.32Å; G169-D173 VanDerWaalsContact CA-OD2 3.28Å; G169-D173 WeakPolarHBondContact CA-OD2 3.29Å; C170-D173 PolarHBondContact N-OD2 2.55Å; C170-D173 PolarHBondContact O-N 3.31Å; C170-D173 VanDerWaalsContact SG-CG 3.58Å; C170-D173 PolarHBondContact SG-OD2 3.1Å; Q171-D173 VanDerWaalsContact C-N 3.27Å; Q171-D173 PolarHBondContact O-N 2.78Å; D173-L175 VanDerWaalsContact C-N 3.27Å; D173-L175 PolarHBondContact O-N 3.04Å; D173-N176 PolarHBondContact O-N 3.22Å
174V93.6Very high89.6Confident0 Ų057.2 Ų57.20%030%0.297CS..Hα-helixtrans-69.6-23.4-179.171.10000113.2C170 Q171 N176 M180 V188 P198 F200 L241C170-V174 PolarHBondContact O-N 3.49Å; Q171-V174 WeakPolarHBondContact O-CG1 3.41Å; Q171-V174 PolarHBondContact O-N 3Å; V174-N176 VanDerWaalsContact C-N 3.34Å; V174-M180 HydrophobicContact CG2-CE 4.12Å; V174-M180 HydrophobicContact CG2-SD 4.46Å; V174-V188 HydrophobicContact CG2-CG1 3.88Å; V174-V188 HydrophobicContact CG2-CG2 3.79Å; V174-P198 HydrophobicContact CG2-CG 3.83Å; V174-F200 VanDerWaalsContact O-CZ 3.27Å; V174-F200 WeakPolarHBondContact O-CZ 3.42Å; V174-L241 HydrophobicContact CB-CD2 3.91Å; V174-L241 HydrophobicContact CG2-CD2 4.27Å
175L91Very high90.4Very high87 Ų8752.8 Ų52.846%0.45527%0.267SS..Hα-helixtrans-82.7-12.5175.9-67.4176.5000112.8Q171 D173 K177Q171-L175 HydrophobicContact CG-CD1 3.94Å; Q171-L175 HydrophobicContact CG-CG 4.42Å; Q171-L175 WeakPolarHBondContact O-CG 3.21Å; Q171-L175 PolarHBondContact O-N 3.02Å; D173-L175 VanDerWaalsContact C-N 3.27Å; D173-L175 PolarHBondContact O-N 3.04Å; L175-K177 PolarHBondContact O-N 3.36Å
176N90.8Very high91Very high71 Ų7151.5 Ų51.538%0.3827%0.266SS..  trans-88.297.6177.6-173.6-29.5000110.4R172 D173 V174 D178 L179 M180R172-N176 PolarHBondContact O-N 3.19Å; D173-N176 PolarHBondContact O-N 3.22Å; V174-N176 VanDerWaalsContact C-N 3.34Å; N176-D178 PolarHBondContact O-N 3.3Å; N176-D178 PolarHBondContact OD1-N 3.25Å; N176-L179 HydrophobicContact CB-CB 3.87Å; N176-L179 VanDerWaalsContact CG-CB 3.42Å; N176-L179 PolarHBondContact O-N 3.12Å; N176-L179 WeakPolarHBondContact OD1-CB 3.34Å; N176-L179 PolarHBondContact OD1-N 2.92Å; N176-M180 WeakPolarHBondContact O-CG 3.03Å; N176-M180 PolarHBondContact O-N 2.92Å
177K93Very high91.3Very high104 Ų10452.8 Ų52.845%0.45227%0.271SS..Hα-helixtrans-60.2-42.8-176.9-172.2179.2178.2-175.60113L175 L179 M180 Q181 F200L175-K177 PolarHBondContact O-N 3.36Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.33Å; K177-M180 PolarHBondContact O-N 2.92Å; K177-Q181 WeakPolarHBondContact O-CG 3.16Å; K177-Q181 PolarHBondContact O-N 3.35Å; K177-F200 HydrophobicContact CB-CD1 4.14Å; K177-F200 HydrophobicContact CB-CE1 3.82Å; K177-F200 HydrophobicContact CB-CZ 4.1Å; K177-F200 HydrophobicContact CD-CB 4.48Å; K177-F200 HydrophobicContact CD-CD1 4.14Å; K177-F200 HydrophobicContact CD-CG 4.32Å; K177-F200 HydrophobicContact CG-CD1 4Å; K177-F200 HydrophobicContact CG-CD2 4.37Å; K177-F200 HydrophobicContact CG-CE1 4.14Å; K177-F200 HydrophobicContact CG-CG 4.11Å; K177-F200 HydrophobicContact CG-CZ 4.38Å
178D90.5Very high91.7Very high102 Ų10252 Ų5255%0.54527%0.268SS..Hα-helixtrans-64.5-43.6-178.4-60.1-33000110.5N176 M180 Q181 Q182N176-D178 PolarHBondContact O-N 3.3Å; N176-D178 PolarHBondContact OD1-N 3.25Å; D178-M180 VanDerWaalsContact C-N 3.34Å; D178-M180 PolarHBondContact O-N 2.6Å; D178-Q181 PolarHBondContact O-N 2.74Å; D178-Q182 WeakPolarHBondContact O-CB 3.27Å; D178-Q182 WeakPolarHBondContact O-CG 3.46Å; D178-Q182 PolarHBondContact O-N 2.72Å
179L89.9Confident92.1Very high21 Ų2151.1 Ų51.111%0.1126%0.263CS..Hα-helixtrans-63.4-40.4176.7-178.3147000112.1P159 N176 K177 N183P159-L179 HydrophobicContact CG-CD2 3.53Å; N176-L179 HydrophobicContact CB-CB 3.87Å; N176-L179 VanDerWaalsContact CG-CB 3.42Å; N176-L179 PolarHBondContact O-N 3.12Å; N176-L179 WeakPolarHBondContact OD1-CB 3.34Å; N176-L179 PolarHBondContact OD1-N 2.92Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.33Å; L179-N183 PolarHBondContact O-N 3.19Å; L179-N183 PolarHBondContact O-ND2 3.05Å
180M93.4Very high92.5Very high2 Ų250.8 Ų50.81%0.0126%0.26CS..Hα-helixtrans-62.4-44.7176.4-69.6-77.6-73.500110.6V174 N176 K177 D178 G184 I185 V188 F200 I201 L241V174-M180 HydrophobicContact CG2-CE 4.12Å; V174-M180 HydrophobicContact CG2-SD 4.46Å; N176-M180 WeakPolarHBondContact O-CG 3.03Å; N176-M180 PolarHBondContact O-N 2.92Å; K177-M180 PolarHBondContact O-N 2.92Å; D178-M180 VanDerWaalsContact C-N 3.34Å; D178-M180 PolarHBondContact O-N 2.6Å; M180-G184 PolarHBondContact O-N 3.34Å; M180-I185 HydrophobicContact CE-CB 3.98Å; M180-I185 HydrophobicContact CE-CG2 3.36Å; M180-I185 PolarHBondContact O-N 3.06Å; M180-I185 HydrophobicContact SD-CB 3.93Å; M180-I185 HydrophobicContact SD-CD1 3.95Å; M180-I185 HydrophobicContact SD-CG2 3.7Å; M180-V188 HydrophobicContact CE-CG2 3.59Å; M180-F200 HydrophobicContact CB-CE2 4.09Å; M180-F200 HydrophobicContact CE-CE2 4.2Å; M180-F200 HydrophobicContact CG-CE2 4.02Å; M180-F200 HydrophobicContact CG-CZ 4.13Å; M180-I201 HydrophobicContact CE-CD1 4.09Å; M180-I201 HydrophobicContact CE-CG1 4.41Å; M180-L241 HydrophobicContact CE-CD2 4.37Å; M180-L241 HydrophobicContact SD-CD2 3.56Å; M180-L241 VanDerWaalsContact SD-CD2 3.56Å
181Q92.1Very high92.9Very high126 Ų12650.2 Ų50.259%0.58926%0.256SS*.Hα-helixtrans-66.8-45.4177.8-71.4-178.1-4.500112.7K177 D178 N183 G184K177-Q181 WeakPolarHBondContact O-CG 3.16Å; K177-Q181 PolarHBondContact O-N 3.35Å; D178-Q181 PolarHBondContact O-N 2.74Å; Q181-N183 PolarHBondContact O-N 3.19Å; Q181-G184 PolarHBondContact O-N 2.8Å
182Q90Very high92.9Very high159 Ų15947.9 Ų47.974%0.74325%0.245SC*.Hα-helixtrans-58.3-35.7178.7-76.4171.96.700112.5D178 G184D178-Q182 WeakPolarHBondContact O-CB 3.27Å; D178-Q182 WeakPolarHBondContact O-CG 3.46Å; D178-Q182 PolarHBondContact O-N 2.72Å; Q182-G184 VanDerWaalsContact C-N 3.34Å
183N86Confident92.7Very high52 Ų5243.5 Ų43.528%0.27823%0.234SC..THydrogen-bonded Turntrans-902.1177.8-69-70.7000113.4Y167 L179 Q181 I185Y167-N183 HydrophobicContact CE1-CB 4.14Å; Y167-N183 HydrophobicContact CE2-CB 4.34Å; Y167-N183 PolarHBondContact OH-OD1 3.08Å; L179-N183 PolarHBondContact O-N 3.19Å; L179-N183 PolarHBondContact O-ND2 3.05Å; Q181-N183 PolarHBondContact O-N 3.19Å; N183-I185 HydrophobicContact CB-CD1 3.7Å; N183-I185 HydrophobicContact CB-CG1 3.81Å; N183-I185 PolarHBondContact O-N 3.06Å
184G91.3Very high92.5Very high50 Ų5048.2 Ų48.252%0.51526%0.263SS..THydrogen-bonded Turntrans66.422-178.600000114.1M180 Q181 Q182 G186 C239M180-G184 PolarHBondContact O-N 3.34Å; Q181-G184 PolarHBondContact O-N 2.8Å; Q182-G184 VanDerWaalsContact C-N 3.34Å; G184-G186 PolarHBondContact O-N 3.4Å; G184-C239 WeakPolarHBondContact O-CB 3.3Å
185I96.6Very high92.2Very high10 Ų1048.3 Ų48.35%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-76.4109.5-175.4-59.4165.1000109.4P159 Y167 M180 N183 L241P159-I185 HydrophobicContact CG-CD1 4.25Å; Y167-I185 HydrophobicContact CD2-CD1 4.22Å; Y167-I185 HydrophobicContact CD2-CG1 4.1Å; Y167-I185 HydrophobicContact CE2-CG1 4.42Å; Y167-I185 HydrophobicContact CG-CD1 4.13Å; M180-I185 HydrophobicContact CE-CB 3.98Å; M180-I185 HydrophobicContact CE-CG2 3.36Å; M180-I185 PolarHBondContact O-N 3.06Å; M180-I185 HydrophobicContact SD-CB 3.93Å; M180-I185 HydrophobicContact SD-CD1 3.95Å; M180-I185 HydrophobicContact SD-CG2 3.7Å; N183-I185 HydrophobicContact CB-CD1 3.7Å; N183-I185 HydrophobicContact CB-CG1 3.81Å; N183-I185 PolarHBondContact O-N 3.06Å; I185-L241 HydrophobicContact CD1-CB 4.23Å; I185-L241 HydrophobicContact CG2-CB 3.55Å
186G95.9Very high92.3Very high25 Ų2547 Ų4726%0.25826%0.26SS..EExtended strand (participates in β ladder)trans-111.1-8.6179.700000114.4G184 H205 C239G184-G186 PolarHBondContact O-N 3.4Å; G186-H205 VanDerWaalsContact O-CB 3.25Å; G186-H205 WeakPolarHBondContact O-CB 3.43Å; G186-H205 PolarHBondContact O-ND1 2.86Å; G186-C239 PolarHBondContact N-O 3.17Å; G186-C239 VanDerWaalsContact N-O 3.08Å
187Y98.5Very high92.5Very high29 Ų2946.4 Ų46.411%0.11425%0.254CS..EExtended strand (participates in β ladder)trans-128.4142.9-178-69.7-101.8000111.2H205 F229 A233 C239 V240 L241Y187-H205 WeakPolarHBondContact CA-O 3.25Å; Y187-H205 HydrophobicContact CD1-CB 3.58Å; Y187-H205 AromaticContact CD1-CG 3.77Å; Y187-H205 HydrophobicContact CE1-CB 3.81Å; Y187-H205 AromaticContact CE1-CD2 3.39Å; Y187-H205 WeakPolarHBondContact CE1-CD2 3.24Å; Y187-H205 AromaticContact CE1-CG 3.47Å; Y187-H205 VanDerWaalsContact CE1-CG 3.47Å; Y187-H205 AromaticContact CE1-ND1 4Å; Y187-H205 AromaticContact CE1-NE2 3.92Å; Y187-H205 AromaticContact CE2-CE1 3.89Å; Y187-H205 AromaticContact CE2-ND1 3.8Å; Y187-H205 HydrophobicContact CG-CB 3.99Å; Y187-H205 AromaticContact CZ-CD2 3.54Å; Y187-H205 AromaticContact CZ-CE1 3.64Å; Y187-H205 AromaticContact CZ-CG 3.67Å; Y187-H205 AromaticContact CZ-ND1 3.71Å; Y187-H205 AromaticContact CZ-NE2 3.55Å; Y187-H205 PolarHBondContact OH-NE2 3.46Å; Y187-F229 HydrophobicContact CD1-CE2 4.29Å; Y187-F229 HydrophobicContact CD1-CZ 4.03Å; Y187-A233 HydrophobicContact CD1-CB 3.6Å; Y187-A233 HydrophobicContact CD2-CB 3.79Å; Y187-A233 HydrophobicContact CE1-CB 3.87Å; Y187-A233 HydrophobicContact CE2-CB 4.05Å; Y187-A233 HydrophobicContact CG-CB 3.57Å; Y187-C239 PolarHBondContact N-O 3.33Å; Y187-V240 HydrophobicContact CG-CG2 4.46Å; Y187-V240 WeakPolarHBondContact O-CA 3.43Å; Y187-L241 PolarHBondContact O-N 2.88Å
188V98.5Very high92.5Very high0 Ų041.6 Ų41.60%023%0.234CC..EExtended strand (participates in β ladder)trans-131.1124.1-177.7173.30000111V174 M180 I201 H205 F206 L207 L241V174-V188 HydrophobicContact CG2-CG1 3.88Å; V174-V188 HydrophobicContact CG2-CG2 3.79Å; M180-V188 HydrophobicContact CE-CG2 3.59Å; V188-I201 HydrophobicContact CB-CG2 4.45Å; V188-I201 HydrophobicContact CG2-CD1 4.2Å; V188-I201 HydrophobicContact CG2-CG1 3.88Å; V188-I201 HydrophobicContact CG2-CG2 4.35Å; V188-H205 PolarHBondContact N-O 2.74Å; V188-F206 HydrophobicContact CB-CD2 3.96Å; V188-F206 HydrophobicContact CB-CE2 4.48Å; V188-F206 HydrophobicContact CG1-CD2 3.86Å; V188-F206 HydrophobicContact CG1-CE2 3.86Å; V188-F206 WeakPolarHBondContact O-CA 3.46Å; V188-L207 PolarHBondContact O-N 3.2Å; V188-L241 WeakPolarHBondContact CA-O 2.97Å
189L98.5Very high92.7Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-106.3109.5167.4-165.2167.1000109.1A191 L207 V209 F229 I230 L241 I242 H243 I254L189-A191 HydrophobicContact CD2-CB 4.46Å; L189-L207 CarbonylContact C-O 3.6Å; L189-L207 WeakPolarHBondContact CA-O 3.44Å; L189-L207 HydrophobicContact CD1-CD2 4.09Å; L189-L207 HydrophobicContact CG-CB 4.41Å; L189-L207 HydrophobicContact CG-CD2 4.11Å; L189-L207 HydrophobicContact CG-CG 4.37Å; L189-V209 HydrophobicContact CD2-CB 4.34Å; L189-V209 HydrophobicContact CD2-CG2 3.77Å; L189-V209 HydrophobicContact CG-CG2 4.44Å; L189-F229 HydrophobicContact CB-CD1 4.17Å; L189-F229 HydrophobicContact CB-CE1 3.95Å; L189-F229 HydrophobicContact CD1-CD1 4.09Å; L189-F229 HydrophobicContact CG-CD1 4.38Å; L189-I230 HydrophobicContact CD1-CD1 4.41Å; L189-I230 HydrophobicContact CD1-CG1 4.4Å; L189-L241 PolarHBondContact N-O 3.41Å; L189-I242 HydrophobicContact CB-CG1 4.36Å; L189-I242 HydrophobicContact CD2-CG2 4.19Å; L189-I242 WeakPolarHBondContact O-CA 3.35Å; L189-H243 PolarHBondContact O-N 2.92Å; L189-I254 HydrophobicContact CD1-CG2 4.14Å; L189-I254 HydrophobicContact CD2-CD1 3.83Å
190N97.9Very high92.9Very high0 Ų046.8 Ų46.80%026%0.258CS..EExtended strand (participates in β ladder)trans-100.5105.3-177.6-178.1-18.6000111.1S192 C195 F206 L207 R208 V209 H243N190-S192 VanDerWaalsContact C-N 3.33Å; N190-S192 PolarHBondContact O-N 3.4Å; N190-S192 WeakPolarHBondContact OD1-CB 3.24Å; N190-S192 PolarHBondContact OD1-N 3.35Å; N190-S192 PolarHBondContact OD1-OG 3.1Å; N190-C195 PolarHBondContact ND2-O 2.82Å; N190-F206 HydrophobicContact CB-CE2 3.63Å; N190-F206 HydrophobicContact CB-CZ 3.69Å; N190-L207 PolarHBondContact N-O 3.49Å; N190-R208 PolarHBondContact ND2-NH2 3.13Å; N190-R208 WeakPolarHBondContact O-CA 3.47Å; N190-V209 PolarHBondContact O-N 2.79Å; N190-H243 VanDerWaalsContact CB-NE2 3.33Å; N190-H243 WeakPolarHBondContact CB-NE2 3.42Å; N190-H243 VanDerWaalsContact CG-CE1 3.48Å; N190-H243 VanDerWaalsContact CG-NE2 3.32Å
191A95.7Very high93.1Very high0 Ų047 Ų470%026%0.26CS..  trans-90.163.2176.800000111.6L189 V209 V211 H243 C244 R250 I254L189-A191 HydrophobicContact CD2-CB 4.46Å; A191-V209 CarbonylContact C-O 3.58Å; A191-V209 WeakPolarHBondContact CA-O 3.47Å; A191-V209 HydrophobicContact CB-CB 4.49Å; A191-V211 HydrophobicContact CB-CG2 4.28Å; A191-H243 PolarHBondContact N-O 3.1Å; A191-C244 HydrophobicContact CB-CB 4.34Å; A191-C244 VanDerWaalsContact O-CB 3.3Å; A191-C244 WeakPolarHBondContact O-CB 3.31Å; A191-R250 HydrophobicContact CB-CB 3.91Å; A191-R250 WeakPolarHBondContact O-CD 3.41Å; A191-R250 PolarHBondContact O-NH1 3.15Å; A191-I254 HydrophobicContact CB-CD1 3.74Å
192S88.9Confident93.3Very high0 Ų044 Ų440%025%0.25CS..  trans-157.6163.9176.579.20000112.6N190 C195 R208 V209N190-S192 VanDerWaalsContact C-N 3.33Å; N190-S192 PolarHBondContact O-N 3.4Å; N190-S192 WeakPolarHBondContact OD1-CB 3.24Å; N190-S192 PolarHBondContact OD1-N 3.35Å; N190-S192 PolarHBondContact OD1-OG 3.1Å; S192-C195 WeakPolarHBondContact OG-CB 3.13Å; S192-C195 PolarHBondContact OG-N 2.86Å; S192-C195 PolarHBondContact OG-SG 3.08Å; S192-R208 PolarHBondContact O-NH1 3.41Å; S192-V209 PolarHBondContact N-O 2.74Å; S192-V209 VanDerWaalsContact N-O 3.12Å
193N84.9Confident93.5Very high66 Ų6642.4 Ų42.435%0.35324%0.243SC..SBendtrans-88.9-24.9168.1-69.8-45000113.1P210 N212N193-P210 WeakPolarHBondContact OD1-CA 3.41Å; N193-P210 WeakPolarHBondContact OD1-CB 3.42Å; N193-P210 PolarHBondContact OD1-O 2.67Å; N193-N212 PolarHBondContact ND2-ND2 3.43Å; N193-N212 PolarHBondContact ND2-OD1 3.45Å
194T86.2Confident94Very high109 Ų10944.3 Ų44.367%0.66926%0.261SS*.SBendtrans-111.4-27.2-163.552.90000114.3
195C87.7Confident94.4Very high1 Ų144.6 Ų44.61%0.00725%0.249CC..SBendtrans-70.7130.1-178.6-540000109.1Q171 N190 S192 R208Q171-C195 HydrophobicContact CB-CB 4.48Å; Q171-C195 HydrophobicContact CG-CB 4.23Å; Q171-C195 PolarHBondContact OE1-SG 3.44Å; N190-C195 PolarHBondContact ND2-O 2.82Å; S192-C195 WeakPolarHBondContact OG-CB 3.13Å; S192-C195 PolarHBondContact OG-N 2.86Å; S192-C195 PolarHBondContact OG-SG 3.08Å; C195-R208 VanDerWaalsContact O-CZ 3.31Å; C195-R208 PolarHBondContact O-NH1 3Å; C195-R208 PolarHBondContact O-NH2 2.87Å
196P91.1Very high94.4Very high61 Ų6145.2 Ų45.240%0.39625%0.251SS..PPolyproline II helixtrans-69.6161.5-179.329.3-35.1000112.1
197K95.2Very high94.5Very high57 Ų5744.8 Ų44.825%0.24824%0.242CC..PPolyproline II helixtrans-77.9133.3165.7-176.3-174.974.764.30107.7I201 E203 F206K197-I201 PolarHBondContact NZ-O 2.7Å; K197-E203 VanDerWaalsContact CD-OE2 3.27Å; K197-E203 WeakPolarHBondContact CD-OE2 3.2Å; K197-E203 WeakPolarHBondContact CE-OE2 3.38Å; K197-F206 HydrophobicContact CB-CD1 4.42Å; K197-F206 HydrophobicContact CB-CD2 4.29Å; K197-F206 HydrophobicContact CB-CE1 4.1Å; K197-F206 HydrophobicContact CB-CE2 3.95Å; K197-F206 HydrophobicContact CB-CZ 3.85Å; K197-F206 HydrophobicContact CD-CB 3.84Å; K197-F206 HydrophobicContact CD-CD1 3.68Å; K197-F206 HydrophobicContact CD-CD2 4.02Å; K197-F206 HydrophobicContact CD-CE1 4.19Å; K197-F206 HydrophobicContact CD-CE2 4.49Å; K197-F206 HydrophobicContact CD-CG 3.57Å; K197-F206 HydrophobicContact CG-CB 4.32Å; K197-F206 HydrophobicContact CG-CD1 3.99Å; K197-F206 HydrophobicContact CG-CD2 3.58Å; K197-F206 HydrophobicContact CG-CE1 4.15Å; K197-F206 HydrophobicContact CG-CE2 3.75Å; K197-F206 HydrophobicContact CG-CG 3.7Å; K197-F206 HydrophobicContact CG-CZ 4.03Å
198P93.4Very high94.5Very high4 Ų447 Ų473%0.02625%0.251CS..PPolyproline II helixtrans-65.7143.7171.929.8-37.3000111.1V174 F200 I201V174-P198 HydrophobicContact CG2-CG 3.83Å; P198-F200 VanDerWaalsContact C-N 3.28Å; P198-F200 HydrophobicContact CB-CD1 4.09Å; P198-F200 HydrophobicContact CB-CD2 4.47Å; P198-F200 HydrophobicContact CB-CE1 3.67Å; P198-F200 HydrophobicContact CB-CE2 4.08Å; P198-F200 HydrophobicContact CB-CG 4.48Å; P198-F200 HydrophobicContact CB-CZ 3.68Å; P198-F200 HydrophobicContact CG-CE2 4.4Å; P198-F200 HydrophobicContact CG-CZ 4.37Å; P198-F200 PolarHBondContact O-N 3.45Å; P198-I201 HydrophobicContact CB-CG1 4.38Å; P198-I201 HydrophobicContact CG-CB 3.87Å; P198-I201 HydrophobicContact CG-CG1 3.48Å; P198-I201 VanDerWaalsContact CG-CG1 3.48Å; P198-I201 PolarHBondContact O-N 3.16Å
199D94.7Very high94.4Very high158 Ų15847 Ų4785%0.84525%0.251SS*.THydrogen-bonded Turntrans-66.7-32-176.1-61.5-33.7000112.7I201D199-I201 VanDerWaalsContact C-N 3.26Å; D199-I201 PolarHBondContact O-N 3.03Å
200F95Very high94.2Very high74 Ų7449.2 Ų49.233%0.32527%0.265SS..THydrogen-bonded Turntrans-79.9-0.2-178.257.5-98.5000114.3V174 K177 M180 P198V174-F200 VanDerWaalsContact O-CZ 3.27Å; V174-F200 WeakPolarHBondContact O-CZ 3.42Å; K177-F200 HydrophobicContact CB-CD1 4.14Å; K177-F200 HydrophobicContact CB-CE1 3.82Å; K177-F200 HydrophobicContact CB-CZ 4.1Å; K177-F200 HydrophobicContact CD-CB 4.48Å; K177-F200 HydrophobicContact CD-CD1 4.14Å; K177-F200 HydrophobicContact CD-CG 4.32Å; K177-F200 HydrophobicContact CG-CD1 4Å; K177-F200 HydrophobicContact CG-CD2 4.37Å; K177-F200 HydrophobicContact CG-CE1 4.14Å; K177-F200 HydrophobicContact CG-CG 4.11Å; K177-F200 HydrophobicContact CG-CZ 4.38Å; M180-F200 HydrophobicContact CB-CE2 4.09Å; M180-F200 HydrophobicContact CE-CE2 4.2Å; M180-F200 HydrophobicContact CG-CE2 4.02Å; M180-F200 HydrophobicContact CG-CZ 4.13Å; P198-F200 VanDerWaalsContact C-N 3.28Å; P198-F200 HydrophobicContact CB-CD1 4.09Å; P198-F200 HydrophobicContact CB-CD2 4.47Å; P198-F200 HydrophobicContact CB-CE1 3.67Å; P198-F200 HydrophobicContact CB-CE2 4.08Å; P198-F200 HydrophobicContact CB-CG 4.48Å; P198-F200 HydrophobicContact CB-CZ 3.68Å; P198-F200 HydrophobicContact CG-CE2 4.4Å; P198-F200 HydrophobicContact CG-CZ 4.37Å; P198-F200 PolarHBondContact O-N 3.45Å
201I96.7Very high93.5Very high7 Ų749.2 Ų49.24%0.03627%0.265CS..SBendtrans-103.8123.6172.9-62.2-65.8000109.1M180 V188 K197 P198 D199 H205 F206M180-I201 HydrophobicContact CE-CD1 4.09Å; M180-I201 HydrophobicContact CE-CG1 4.41Å; V188-I201 HydrophobicContact CB-CG2 4.45Å; V188-I201 HydrophobicContact CG2-CD1 4.2Å; V188-I201 HydrophobicContact CG2-CG1 3.88Å; V188-I201 HydrophobicContact CG2-CG2 4.35Å; K197-I201 PolarHBondContact NZ-O 2.7Å; P198-I201 HydrophobicContact CB-CG1 4.38Å; P198-I201 HydrophobicContact CG-CB 3.87Å; P198-I201 HydrophobicContact CG-CG1 3.48Å; P198-I201 VanDerWaalsContact CG-CG1 3.48Å; P198-I201 PolarHBondContact O-N 3.16Å; D199-I201 VanDerWaalsContact C-N 3.26Å; D199-I201 PolarHBondContact O-N 3.03Å; I201-H205 HydrophobicContact CG2-CB 4.17Å; I201-F206 HydrophobicContact CG2-CB 4.27Å
202P96.3Very high92.5Very high61 Ų6153.1 Ų53.140%0.39629%0.286SS..  trans-68.2152.3177.929.6-34.2000110.8S204 H205 F206P202-S204 PolarHBondContact O-N 3.34Å; P202-H205 HydrophobicContact CG-CB 3.88Å; P202-H205 PolarHBondContact O-N 3.19Å; P202-F206 PolarHBondContact O-N 3.36Å
203E95.6Very high91.7Very high126 Ų12657.1 Ų57.159%0.58931%0.307SS*.G310 helixtrans-59.5-33.5-179-163.661.3-149.800112K197 H205 F206K197-E203 VanDerWaalsContact CD-OE2 3.27Å; K197-E203 WeakPolarHBondContact CD-OE2 3.2Å; K197-E203 WeakPolarHBondContact CE-OE2 3.38Å; E203-H205 PolarHBondContact O-N 3.29Å; E203-F206 PolarHBondContact O-N 3.21Å; E203-F206 VanDerWaalsContact O-N 3.14Å
204S96.3Very high90.4Very high93 Ų9356.7 Ų56.765%0.6531%0.31SS*.G310 helixtrans-62.7-21.9175.656.10000114P202P202-S204 PolarHBondContact O-N 3.34Å
205H97.9Very high88.4Confident56 Ų5655.3 Ų55.326%0.25929%0.294SS..G310 helixtrans-107.713.9179.4-63.7-170.5000112.3G186 Y187 V188 I201 P202 E203 F229G186-H205 VanDerWaalsContact O-CB 3.25Å; G186-H205 WeakPolarHBondContact O-CB 3.43Å; G186-H205 PolarHBondContact O-ND1 2.86Å; Y187-H205 WeakPolarHBondContact CA-O 3.25Å; Y187-H205 HydrophobicContact CD1-CB 3.58Å; Y187-H205 AromaticContact CD1-CG 3.77Å; Y187-H205 HydrophobicContact CE1-CB 3.81Å; Y187-H205 AromaticContact CE1-CD2 3.39Å; Y187-H205 WeakPolarHBondContact CE1-CD2 3.24Å; Y187-H205 AromaticContact CE1-CG 3.47Å; Y187-H205 VanDerWaalsContact CE1-CG 3.47Å; Y187-H205 AromaticContact CE1-ND1 4Å; Y187-H205 AromaticContact CE1-NE2 3.92Å; Y187-H205 AromaticContact CE2-CE1 3.89Å; Y187-H205 AromaticContact CE2-ND1 3.8Å; Y187-H205 HydrophobicContact CG-CB 3.99Å; Y187-H205 AromaticContact CZ-CD2 3.54Å; Y187-H205 AromaticContact CZ-CE1 3.64Å; Y187-H205 AromaticContact CZ-CG 3.67Å; Y187-H205 AromaticContact CZ-ND1 3.71Å; Y187-H205 AromaticContact CZ-NE2 3.55Å; Y187-H205 PolarHBondContact OH-NE2 3.46Å; V188-H205 PolarHBondContact N-O 2.74Å; I201-H205 HydrophobicContact CG2-CB 4.17Å; P202-H205 HydrophobicContact CG-CB 3.88Å; P202-H205 PolarHBondContact O-N 3.19Å; E203-H205 PolarHBondContact O-N 3.29Å; H205-F229 WeakPolarHBondContact O-CZ 3.3Å
206F98.4Very high86.4Confident22 Ų2258.9 Ų58.910%0.09632%0.319CS..EExtended strand (participates in β ladder)trans-117.7135.5-179.4-178-105000111.2V188 N190 K197 I201 P202 E203 R208V188-F206 HydrophobicContact CB-CD2 3.96Å; V188-F206 HydrophobicContact CB-CE2 4.48Å; V188-F206 HydrophobicContact CG1-CD2 3.86Å; V188-F206 HydrophobicContact CG1-CE2 3.86Å; V188-F206 WeakPolarHBondContact O-CA 3.46Å; N190-F206 HydrophobicContact CB-CE2 3.63Å; N190-F206 HydrophobicContact CB-CZ 3.69Å; K197-F206 HydrophobicContact CB-CD1 4.42Å; K197-F206 HydrophobicContact CB-CD2 4.29Å; K197-F206 HydrophobicContact CB-CE1 4.1Å; K197-F206 HydrophobicContact CB-CE2 3.95Å; K197-F206 HydrophobicContact CB-CZ 3.85Å; K197-F206 HydrophobicContact CD-CB 3.84Å; K197-F206 HydrophobicContact CD-CD1 3.68Å; K197-F206 HydrophobicContact CD-CD2 4.02Å; K197-F206 HydrophobicContact CD-CE1 4.19Å; K197-F206 HydrophobicContact CD-CE2 4.49Å; K197-F206 HydrophobicContact CD-CG 3.57Å; K197-F206 HydrophobicContact CG-CB 4.32Å; K197-F206 HydrophobicContact CG-CD1 3.99Å; K197-F206 HydrophobicContact CG-CD2 3.58Å; K197-F206 HydrophobicContact CG-CE1 4.15Å; K197-F206 HydrophobicContact CG-CE2 3.75Å; K197-F206 HydrophobicContact CG-CG 3.7Å; K197-F206 HydrophobicContact CG-CZ 4.03Å; I201-F206 HydrophobicContact CG2-CB 4.27Å; P202-F206 PolarHBondContact O-N 3.36Å; E203-F206 PolarHBondContact O-N 3.21Å; E203-F206 VanDerWaalsContact O-N 3.14Å; F206-R208 HydrophobicContact CE1-CB 3.86Å; F206-R208 HydrophobicContact CZ-CB 4.19Å
207L98.3Very high85.3Confident16 Ų1659.3 Ų59.38%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-129121.3168.4174.163.5000109.8V188 L189 N190 V209 K225 F229V188-L207 PolarHBondContact O-N 3.2Å; L189-L207 CarbonylContact C-O 3.6Å; L189-L207 WeakPolarHBondContact CA-O 3.44Å; L189-L207 HydrophobicContact CD1-CD2 4.09Å; L189-L207 HydrophobicContact CG-CB 4.41Å; L189-L207 HydrophobicContact CG-CD2 4.11Å; L189-L207 HydrophobicContact CG-CG 4.37Å; N190-L207 PolarHBondContact N-O 3.49Å; L207-V209 HydrophobicContact CD2-CG2 4.35Å; L207-V209 HydrophobicContact CG-CG2 4.34Å; L207-K225 HydrophobicContact CD1-CD 4.23Å; L207-K225 HydrophobicContact CD2-CG 4.42Å; L207-F229 HydrophobicContact CB-CD1 4.08Å; L207-F229 HydrophobicContact CB-CD2 3.6Å; L207-F229 HydrophobicContact CB-CE1 4.14Å; L207-F229 HydrophobicContact CB-CE2 3.66Å; L207-F229 HydrophobicContact CB-CG 3.8Å; L207-F229 HydrophobicContact CB-CZ 3.93Å; L207-F229 HydrophobicContact CD2-CB 3.54Å; L207-F229 HydrophobicContact CD2-CD1 4.2Å; L207-F229 HydrophobicContact CD2-CD2 4.19Å; L207-F229 HydrophobicContact CD2-CG 3.72Å; L207-F229 HydrophobicContact CG-CD2 4.47Å; L207-F229 HydrophobicContact CG-CG 4.39Å
208R98Very high84.3Confident75 Ų7563.3 Ų63.328%0.28333%0.333SS..EExtended strand (participates in β ladder)trans-89.8130.5164.7-174.5171.5-64.2-89.61.3111.1N190 S192 C195 F206 P210N190-R208 PolarHBondContact ND2-NH2 3.13Å; N190-R208 WeakPolarHBondContact O-CA 3.47Å; S192-R208 PolarHBondContact O-NH1 3.41Å; C195-R208 VanDerWaalsContact O-CZ 3.31Å; C195-R208 PolarHBondContact O-NH1 3Å; C195-R208 PolarHBondContact O-NH2 2.87Å; F206-R208 HydrophobicContact CE1-CB 3.86Å; F206-R208 HydrophobicContact CZ-CB 4.19Å; R208-P210 HydrophobicContact CG-CB 4.41Å
209V96.6Very high83.8Confident0 Ų063.9 Ų63.90%034%0.336CS..  trans-108.696.5164.5176.20000106.9L189 N190 A191 S192 L207 V211 W222 I254L189-V209 HydrophobicContact CD2-CB 4.34Å; L189-V209 HydrophobicContact CD2-CG2 3.77Å; L189-V209 HydrophobicContact CG-CG2 4.44Å; N190-V209 PolarHBondContact O-N 2.79Å; A191-V209 CarbonylContact C-O 3.58Å; A191-V209 WeakPolarHBondContact CA-O 3.47Å; A191-V209 HydrophobicContact CB-CB 4.49Å; S192-V209 PolarHBondContact N-O 2.74Å; S192-V209 VanDerWaalsContact N-O 3.12Å; L207-V209 HydrophobicContact CD2-CG2 4.35Å; L207-V209 HydrophobicContact CG-CG2 4.34Å; V209-V211 VanDerWaalsContact C-N 3.3Å; V209-V211 HydrophobicContact CG1-CG1 3.8Å; V209-V211 HydrophobicContact CG1-CG2 3.94Å; V209-V211 PolarHBondContact O-N 3.25Å; V209-W222 HydrophobicContact CG1-CB 3.54Å; V209-W222 HydrophobicContact CG1-CD2 3.92Å; V209-W222 HydrophobicContact CG1-CE3 4.32Å; V209-W222 HydrophobicContact CG1-CG 3.57Å; V209-W222 HydrophobicContact CG2-CB 4.35Å; V209-W222 HydrophobicContact CG2-CE3 4.36Å; V209-I254 HydrophobicContact CB-CD1 4.33Å; V209-I254 HydrophobicContact CG1-CD1 4.15Å; V209-I254 HydrophobicContact CG2-CD1 4.29Å
210P93.3Very high83.2Confident47 Ų4757.2 Ų57.231%0.30530%0.3SS..  trans-76.876.8-170.631.9-35.8000111.3N193 R208 W222N193-P210 WeakPolarHBondContact OD1-CA 3.41Å; N193-P210 WeakPolarHBondContact OD1-CB 3.42Å; N193-P210 PolarHBondContact OD1-O 2.67Å; R208-P210 HydrophobicContact CG-CB 4.41Å; P210-W222 VanDerWaalsContact CD-CH2 3.45Å; P210-W222 HydrophobicContact CG-CH2 3.64Å; P210-W222 HydrophobicContact CG-CZ2 3.57Å; P210-W222 HydrophobicContact CG-CZ3 4.43Å
211V83.3Confident82.9Confident1 Ų158.1 Ų58.11%0.00631%0.313CS..  trans-122.1134.5-177-65.40000111.9A191 V209 E217 I219 R250A191-V211 HydrophobicContact CB-CG2 4.28Å; V209-V211 VanDerWaalsContact C-N 3.3Å; V209-V211 HydrophobicContact CG1-CG1 3.8Å; V209-V211 HydrophobicContact CG1-CG2 3.94Å; V209-V211 PolarHBondContact O-N 3.25Å; V211-E217 HydrophobicContact CB-CG 3.76Å; V211-E217 HydrophobicContact CG1-CG 4.04Å; V211-I219 HydrophobicContact CG1-CG1 4.5Å; V211-I219 HydrophobicContact CG2-CD1 4.41Å; V211-R250 HydrophobicContact CG2-CB 4.22Å; V211-R250 HydrophobicContact CG2-CG 3.97Å; V211-R250 VanDerWaalsContact O-CD 3.3Å; V211-R250 WeakPolarHBondContact O-CD 3.17Å; V211-R250 PolarHBondContact O-NH1 3.07Å; V211-R250 VanDerWaalsContact O-NH1 3.14Å
212N75.3Confident82.6Confident81 Ų8161.1 Ų61.143%0.43332%0.324SS..  trans-79.4153.8170.3-62.3-59.1000111.6N193 S214 E217N193-N212 PolarHBondContact ND2-ND2 3.43Å; N193-N212 PolarHBondContact ND2-OD1 3.45Å; N212-S214 PolarHBondContact O-N 2.75Å; N212-E217 HydrophobicContact CB-CG 4.49Å; N212-E217 WeakPolarHBondContact CB-OE2 3.39Å; N212-E217 PolarHBondContact N-OE2 3.46Å; N212-E217 PolarHBondContact ND2-OE2 3.2Å
213D71.3Confident82.3Confident84 Ų8458.3 Ų58.345%0.44931%0.306SS..SBendtrans-81.173.5171.4-133.2-33.2000109.1S249 R250D213-S249 WeakPolarHBondContact OD1-CB 3.44Å; D213-S249 PolarHBondContact OD1-OG 3Å; D213-R250 VanDerWaalsContact CG-NE 3.34Å; D213-R250 IonicContact OD2-CZ 3.42Å; D213-R250 IonicContact OD2-NE 2.94Å; D213-R250 PolarHBondContact OD2-NE 3.1Å; D213-R250 IonicContact OD2-NH2 3.1Å; D213-R250 PolarHBondContact OD2-NH2 3.26Å; D213-R250 VanDerWaalsContact OD2-NH2 3.1Å
214S59.2Low82Confident57 Ų5755.2 Ų55.240%0.39929%0.293SS..SBendtrans-144.4143.9-172.7175.50000111.8N212 C216 E217N212-S214 PolarHBondContact O-N 2.75Å; S214-C216 PolarHBondContact O-N 3.06Å; S214-C216 VanDerWaalsContact O-N 3.08Å; S214-C216 PolarHBondContact OG-N 3.44Å; S214-E217 WeakPolarHBondContact O-CB 3.31Å; S214-E217 PolarHBondContact O-N 3.4Å
215F42.8Very low81.9Confident80 Ų8056 Ų5635%0.35129%0.285SS..THydrogen-bonded Turntrans-62.2-14.3177.9-60.1-69.7000114.9F34 N49 W303 R307F34-F215 HydrophobicContact CB-CZ 4.28Å; N49-F215 VanDerWaalsContact ND2-CE2 3.29Å; N49-F215 WeakPolarHBondContact ND2-CE2 3.33Å; N49-F215 WeakPolarHBondContact ND2-CZ 3.37Å; F215-W303 HydrophobicContact CD1-CE3 4.4Å; F215-W303 AromaticContact CD1-CH2 3.97Å; F215-W303 HydrophobicContact CD1-CH2 3.97Å; F215-W303 AromaticContact CD1-CZ3 3.56Å; F215-W303 HydrophobicContact CD1-CZ3 3.56Å; F215-W303 HydrophobicContact CE1-CH2 4.4Å; F215-W303 HydrophobicContact CE1-CZ3 4.03Å; F215-R307 PolarHBondContact O-NH1 3.08Å
216C46.7Very low81.8Confident76 Ų7653.3 Ų53.351%0.51427%0.272SS..THydrogen-bonded Turntrans-98.9-8.8177.7-62.40000113.3S214S214-C216 PolarHBondContact O-N 3.06Å; S214-C216 VanDerWaalsContact O-N 3.08Å; S214-C216 PolarHBondContact OG-N 3.44Å
217E68.1Low81.5Confident71 Ų7152.9 Ų52.933%0.33227%0.271SS..  trans-76.1139-176-166.665.3-90.200111.2V211 N212 S214V211-E217 HydrophobicContact CB-CG 3.76Å; V211-E217 HydrophobicContact CG1-CG 4.04Å; N212-E217 HydrophobicContact CB-CG 4.49Å; N212-E217 WeakPolarHBondContact CB-OE2 3.39Å; N212-E217 PolarHBondContact N-OE2 3.46Å; N212-E217 PolarHBondContact ND2-OE2 3.2Å; S214-E217 WeakPolarHBondContact O-CB 3.31Å; S214-E217 PolarHBondContact O-N 3.4Å
218K73.6Confident81.4Confident140 Ų14056.3 Ų56.361%0.60929%0.29SS*.  trans-99.496.7-179.4-66.6-179.9-176.4174.30109.8P221K218-P221 HydrophobicContact CB-CG 4.28Å; K218-P221 WeakPolarHBondContact O-CD 3.23Å
219I82.7Confident81.4Confident17 Ų1754 Ų549%0.08728%0.282CS..  trans-81.1-27175.5-158.8165.1000113.2V211 P221 W222 L223 R250 T253 I254V211-I219 HydrophobicContact CG1-CG1 4.5Å; V211-I219 HydrophobicContact CG2-CD1 4.41Å; I219-P221 VanDerWaalsContact C-CD 3.49Å; I219-W222 WeakPolarHBondContact O-CB 3.12Å; I219-W222 PolarHBondContact O-N 2.87Å; I219-L223 HydrophobicContact CG1-CD2 4.41Å; I219-R250 HydrophobicContact CD1-CB 4.47Å; I219-T253 HydrophobicContact CD1-CG2 4.04Å; I219-T253 HydrophobicContact CG2-CG2 4.09Å; I219-I254 HydrophobicContact CD1-CD1 4.32Å; I219-I254 HydrophobicContact CD1-CG1 3.92Å; I219-I254 HydrophobicContact CG1-CG1 4.36Å
220L81.5Confident81.3Confident18 Ų1854 Ų549%0.09428%0.282CS..G310 helixtrans-50.4-48.1-177.7-102.4179000115.1W222 L223 A308 L309 W319L220-W222 PolarHBondContact O-N 3.12Å; L220-L223 HydrophobicContact CD2-CD1 3.74Å; L220-L223 PolarHBondContact O-N 3.42Å; L220-A308 HydrophobicContact CB-CB 4.21Å; L220-A308 HydrophobicContact CD1-CB 3.26Å; L220-A308 WeakPolarHBondContact CD1-O 3.35Å; L220-A308 HydrophobicContact CD2-CB 4.43Å; L220-A308 HydrophobicContact CG-CB 3.34Å; L220-L309 HydrophobicContact CD1-CD2 4.41Å; L220-L309 HydrophobicContact CD2-CD2 4.23Å; L220-W319 HydrophobicContact CD2-CH2 3.9Å
221P88.4Confident81.3Confident92 Ų9253.2 Ų53.260%0.59727%0.274SS*.G310 helixtrans-59.5-18.2-179.6-24.435.6000113.9K218 I219K218-P221 HydrophobicContact CB-CG 4.28Å; K218-P221 WeakPolarHBondContact O-CD 3.23Å; I219-P221 VanDerWaalsContact C-CD 3.49Å
222W91.3Very high81.9Confident71 Ų7160.3 Ų60.327%0.26931%0.305SS..G310 helixtrans-93.7-11.3-179-60.698.2000113.5V209 P210 I219 L220 K225 S226V209-W222 HydrophobicContact CG1-CB 3.54Å; V209-W222 HydrophobicContact CG1-CD2 3.92Å; V209-W222 HydrophobicContact CG1-CE3 4.32Å; V209-W222 HydrophobicContact CG1-CG 3.57Å; V209-W222 HydrophobicContact CG2-CB 4.35Å; V209-W222 HydrophobicContact CG2-CE3 4.36Å; P210-W222 VanDerWaalsContact CD-CH2 3.45Å; P210-W222 HydrophobicContact CG-CH2 3.64Å; P210-W222 HydrophobicContact CG-CZ2 3.57Å; P210-W222 HydrophobicContact CG-CZ3 4.43Å; I219-W222 WeakPolarHBondContact O-CB 3.12Å; I219-W222 PolarHBondContact O-N 2.87Å; L220-W222 PolarHBondContact O-N 3.12Å; W222-K225 HydrophobicContact CE3-CD 4.28Å; W222-K225 HydrophobicContact CZ3-CD 4.3Å; W222-S226 VanDerWaalsContact O-CB 3.31Å; W222-S226 WeakPolarHBondContact O-CB 3.42Å; W222-S226 PolarHBondContact O-N 2.88Å; W222-S226 PolarHBondContact O-OG 2.85Å
223L90Very high82.8Confident2 Ų256.5 Ų56.51%0.0128%0.284CS..Hα-helixtrans-67.7-45.5-172.5-62.6-174000112I219 L220 K225 S226 V227 I254 A257 W319 W322I219-L223 HydrophobicContact CG1-CD2 4.41Å; L220-L223 HydrophobicContact CD2-CD1 3.74Å; L220-L223 PolarHBondContact O-N 3.42Å; L223-K225 PolarHBondContact O-N 3.01Å; L223-S226 WeakPolarHBondContact O-CB 3.41Å; L223-S226 PolarHBondContact O-N 3.5Å; L223-S226 VanDerWaalsContact O-N 3.12Å; L223-V227 WeakPolarHBondContact O-CG2 3.33Å; L223-V227 PolarHBondContact O-N 3.2Å; L223-I254 HydrophobicContact CD2-CG1 4.09Å; L223-A257 HydrophobicContact CD1-CB 3.8Å; L223-A257 HydrophobicContact CD2-CB 3.94Å; L223-A257 HydrophobicContact CG-CB 4.37Å; L223-W319 HydrophobicContact CD1-CH2 3.79Å; L223-W319 HydrophobicContact CD1-CZ3 4.04Å; L223-W322 HydrophobicContact CB-CH2 3.9Å; L223-W322 HydrophobicContact CB-CZ2 3.69Å; L223-W322 HydrophobicContact CD1-CH2 4.36Å; L223-W322 HydrophobicContact CD1-CZ2 4.46Å
224D88.5Confident83.6Confident60 Ų6055.6 Ų55.632%0.32128%0.277SS..Hα-helixtrans-59.3-48.3178.4-65.4-43.6000110.5S226 V227 D228 W322D224-S226 VanDerWaalsContact C-N 3.28Å; D224-S226 PolarHBondContact O-N 3.15Å; D224-V227 PolarHBondContact O-N 3.2Å; D224-D228 PolarHBondContact O-N 3.42Å; D224-W322 WeakPolarHBondContact OD1-CZ2 3.32Å; D224-W322 PolarHBondContact OD1-NE1 3.32Å
225K94.4Very high85.2Confident110 Ų11056.5 Ų56.548%0.47829%0.287SS..Hα-helixtrans-59.4-37.7175.4-170.5179.9-175.1-175.60112.9L207 W222 L223 F229L207-K225 HydrophobicContact CD1-CD 4.23Å; L207-K225 HydrophobicContact CD2-CG 4.42Å; W222-K225 HydrophobicContact CE3-CD 4.28Å; W222-K225 HydrophobicContact CZ3-CD 4.3Å; L223-K225 PolarHBondContact O-N 3.01Å; K225-F229 WeakPolarHBondContact O-CB 3.37Å; K225-F229 PolarHBondContact O-N 2.86Å; K225-F229 VanDerWaalsContact O-N 3.09Å
226S96.1Very high87.5Confident0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-68.3-43178.2-60.80000111.5W222 L223 D224 F229 I230W222-S226 VanDerWaalsContact O-CB 3.31Å; W222-S226 WeakPolarHBondContact O-CB 3.42Å; W222-S226 PolarHBondContact O-N 2.88Å; W222-S226 PolarHBondContact O-OG 2.85Å; L223-S226 WeakPolarHBondContact O-CB 3.41Å; L223-S226 PolarHBondContact O-N 3.5Å; L223-S226 VanDerWaalsContact O-N 3.12Å; D224-S226 VanDerWaalsContact C-N 3.28Å; D224-S226 PolarHBondContact O-N 3.15Å; S226-F229 PolarHBondContact O-N 3.16Å; S226-I230 WeakPolarHBondContact O-CD1 3.3Å; S226-I230 VanDerWaalsContact O-CG1 3.26Å; S226-I230 WeakPolarHBondContact O-CG1 3.38Å; S226-I230 PolarHBondContact O-N 3.41Å; S226-I230 VanDerWaalsContact O-N 3.09Å
227V93.4Very high89.6Confident13 Ų1359.5 Ų59.58%0.07931%0.308CS..Hα-helixtrans-62-47.6176.1172.50000110.2L223 D224 F229 I230 E231 Y258 K261 R262 W322L223-V227 WeakPolarHBondContact O-CG2 3.33Å; L223-V227 PolarHBondContact O-N 3.2Å; D224-V227 PolarHBondContact O-N 3.2Å; V227-F229 VanDerWaalsContact C-N 3.29Å; V227-F229 PolarHBondContact O-N 2.78Å; V227-I230 PolarHBondContact O-N 2.75Å; V227-E231 HydrophobicContact CG1-CG 4.38Å; V227-E231 WeakPolarHBondContact O-CG 3.4Å; V227-E231 PolarHBondContact O-N 2.76Å; V227-Y258 HydrophobicContact CB-CD2 4.41Å; V227-Y258 HydrophobicContact CG1-CD2 4.21Å; V227-Y258 HydrophobicContact CG1-CE2 4.47Å; V227-Y258 HydrophobicContact CG2-CD2 4.16Å; V227-K261 HydrophobicContact CG1-CG 4.22Å; V227-K261 HydrophobicContact CG2-CB 4.42Å; V227-K261 HydrophobicContact CG2-CG 4.35Å; V227-R262 HydrophobicContact CG1-CG 4.49Å; V227-W322 HydrophobicContact CG2-CH2 4.4Å
228D94.8Very high90.7Very high87 Ų8756.7 Ų56.747%0.46530%0.298SS..Hα-helixtrans-59.7-40.4178.9-70.9-16.9000112.3D224 E231 K232D224-D228 PolarHBondContact O-N 3.42Å; D228-E231 PolarHBondContact O-N 3.41Å; D228-K232 WeakPolarHBondContact O-CB 3.13Å; D228-K232 VanDerWaalsContact O-CG 3.29Å; D228-K232 WeakPolarHBondContact O-CG 3.33Å; D228-K232 PolarHBondContact O-N 3.27Å
229F97.6Very high91.7Very high26 Ų2650.5 Ų50.511%0.11427%0.273CS..Hα-helixtrans-62.7-46.7176.1174.6-95.9000112.1Y187 L189 H205 L207 K225 S226 V227 E231 K232 A233 V240Y187-F229 HydrophobicContact CD1-CE2 4.29Å; Y187-F229 HydrophobicContact CD1-CZ 4.03Å; L189-F229 HydrophobicContact CB-CD1 4.17Å; L189-F229 HydrophobicContact CB-CE1 3.95Å; L189-F229 HydrophobicContact CD1-CD1 4.09Å; L189-F229 HydrophobicContact CG-CD1 4.38Å; H205-F229 WeakPolarHBondContact O-CZ 3.3Å; L207-F229 HydrophobicContact CB-CD1 4.08Å; L207-F229 HydrophobicContact CB-CD2 3.6Å; L207-F229 HydrophobicContact CB-CE1 4.14Å; L207-F229 HydrophobicContact CB-CE2 3.66Å; L207-F229 HydrophobicContact CB-CG 3.8Å; L207-F229 HydrophobicContact CB-CZ 3.93Å; L207-F229 HydrophobicContact CD2-CB 3.54Å; L207-F229 HydrophobicContact CD2-CD1 4.2Å; L207-F229 HydrophobicContact CD2-CD2 4.19Å; L207-F229 HydrophobicContact CD2-CG 3.72Å; L207-F229 HydrophobicContact CG-CD2 4.47Å; L207-F229 HydrophobicContact CG-CG 4.39Å; K225-F229 WeakPolarHBondContact O-CB 3.37Å; K225-F229 PolarHBondContact O-N 2.86Å; K225-F229 VanDerWaalsContact O-N 3.09Å; S226-F229 PolarHBondContact O-N 3.16Å; V227-F229 VanDerWaalsContact C-N 3.29Å; V227-F229 PolarHBondContact O-N 2.78Å; F229-E231 VanDerWaalsContact C-N 3.27Å; F229-E231 PolarHBondContact O-N 3.07Å; F229-K232 PolarHBondContact O-N 2.81Å; F229-A233 PolarHBondContact O-N 3.48Å; F229-V240 HydrophobicContact CE1-CG1 4.01Å
230I95.7Very high92.4Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-62.7-38.4178.5-62.9159.4000110.4L166 L189 S226 V227 K234 V240 I242 Y258L166-I230 HydrophobicContact CD1-CD1 4.46Å; L166-I230 HydrophobicContact CD1-CG1 4.41Å; L166-I230 HydrophobicContact CD1-CG2 4.01Å; L189-I230 HydrophobicContact CD1-CD1 4.41Å; L189-I230 HydrophobicContact CD1-CG1 4.4Å; S226-I230 WeakPolarHBondContact O-CD1 3.3Å; S226-I230 VanDerWaalsContact O-CG1 3.26Å; S226-I230 WeakPolarHBondContact O-CG1 3.38Å; S226-I230 PolarHBondContact O-N 3.41Å; S226-I230 VanDerWaalsContact O-N 3.09Å; V227-I230 PolarHBondContact O-N 2.75Å; I230-K234 HydrophobicContact CG2-CD 4.1Å; I230-K234 WeakPolarHBondContact O-CB 3.42Å; I230-K234 VanDerWaalsContact O-CG 3.31Å; I230-K234 WeakPolarHBondContact O-CG 3.47Å; I230-K234 PolarHBondContact O-N 3.38Å; I230-V240 HydrophobicContact CG1-CG1 4.32Å; I230-V240 HydrophobicContact CG2-CG2 4.49Å; I230-I242 HydrophobicContact CD1-CD1 3.79Å; I230-I242 HydrophobicContact CD1-CG1 4.45Å; I230-Y258 HydrophobicContact CB-CD2 3.94Å; I230-Y258 HydrophobicContact CB-CE2 3.69Å; I230-Y258 HydrophobicContact CD1-CD2 3.57Å; I230-Y258 HydrophobicContact CD1-CE2 4.2Å; I230-Y258 HydrophobicContact CD1-CG 3.77Å; I230-Y258 HydrophobicContact CG1-CD2 4.38Å; I230-Y258 HydrophobicContact CG2-CD2 3.88Å; I230-Y258 HydrophobicContact CG2-CE1 4.06Å; I230-Y258 HydrophobicContact CG2-CE2 3.33Å; I230-Y258 HydrophobicContact CG2-CG 4.43Å; I230-Y258 VanDerWaalsContact CG2-CZ 3.44Å
231E93.4Very high93.2Very high31 Ų3148.9 Ų48.915%0.14526%0.264CS..Hα-helixtrans-71.9-39179.4-71.9-60.3141.600113.8V227 D228 F229 A233 K234 A235 Y258 R262V227-E231 HydrophobicContact CG1-CG 4.38Å; V227-E231 WeakPolarHBondContact O-CG 3.4Å; V227-E231 PolarHBondContact O-N 2.76Å; D228-E231 PolarHBondContact O-N 3.41Å; F229-E231 VanDerWaalsContact C-N 3.27Å; F229-E231 PolarHBondContact O-N 3.07Å; E231-A233 VanDerWaalsContact C-N 3.35Å; E231-K234 PolarHBondContact O-N 3.3Å; E231-K234 IonicContact OE1-NZ 2.92Å; E231-K234 PolarHBondContact OE1-NZ 3.28Å; E231-K234 IonicContact OE2-NZ 3.68Å; E231-A235 WeakPolarHBondContact O-CB 3.07Å; E231-A235 PolarHBondContact O-N 3.42Å; E231-Y258 HydrophobicContact CG-CE2 4.2Å; E231-Y258 VanDerWaalsContact OE1-CE2 3.29Å; E231-Y258 WeakPolarHBondContact OE1-CE2 3.36Å; E231-Y258 VanDerWaalsContact OE1-CZ 3.29Å; E231-Y258 PolarHBondContact OE1-OH 2.87Å; E231-R262 VanDerWaalsContact CD-NH2 3.31Å; E231-R262 IonicContact OE1-CZ 2.7Å; E231-R262 IonicContact OE1-NE 3.5Å; E231-R262 IonicContact OE1-NH1 3.08Å; E231-R262 PolarHBondContact OE1-NH1 2.73Å; E231-R262 IonicContact OE1-NH2 3.33Å; E231-R262 PolarHBondContact OE1-NH2 3.43Å; E231-R262 IonicContact OE2-CZ 3.11Å; E231-R262 IonicContact OE2-NH1 3.28Å; E231-R262 PolarHBondContact OE2-NH1 3.18Å; E231-R262 IonicContact OE2-NH2 2.84Å; E231-R262 PolarHBondContact OE2-NH2 3.36Å
232K94.6Very high93.6Very high151 Ų15144.5 Ų44.566%0.65724%0.236SC*.Hα-helixtrans-59.9-46.7172-75.6173.1-177.4179.10111.2D228 F229 K234 A235 S236D228-K232 WeakPolarHBondContact O-CB 3.13Å; D228-K232 VanDerWaalsContact O-CG 3.29Å; D228-K232 WeakPolarHBondContact O-CG 3.33Å; D228-K232 PolarHBondContact O-N 3.27Å; F229-K232 PolarHBondContact O-N 2.81Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K232-K234 PolarHBondContact O-N 2.92Å; K232-A235 PolarHBondContact O-N 3.39Å; K232-S236 PolarHBondContact O-N 3.31Å; K232-S236 PolarHBondContact O-OG 3.48Å
233A94Very high93.8Very high0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-59.4-45.1176.300000111.6Y187 F229 E231 A235 S236 N237 G238 V240Y187-A233 HydrophobicContact CD1-CB 3.6Å; Y187-A233 HydrophobicContact CD2-CB 3.79Å; Y187-A233 HydrophobicContact CE1-CB 3.87Å; Y187-A233 HydrophobicContact CE2-CB 4.05Å; Y187-A233 HydrophobicContact CG-CB 3.57Å; F229-A233 PolarHBondContact O-N 3.48Å; E231-A233 VanDerWaalsContact C-N 3.35Å; A233-A235 PolarHBondContact O-N 2.87Å; A233-S236 CarbonylContact O-C 3.37Å; A233-S236 PolarHBondContact O-N 3.39Å; A233-N237 PolarHBondContact O-N 3.01Å; A233-G238 WeakPolarHBondContact O-CA 3.1Å; A233-G238 PolarHBondContact O-N 3.3Å; A233-V240 HydrophobicContact CB-CG2 3.31Å
234K89.4Confident93.8Very high66 Ų6641 Ų4129%0.28722%0.222SC..Hα-helixtrans-63.3-39176.7-76.2172.164.9-159.30113.4N165 I230 E231 K232 S236 N237 Y258N165-K234 HydrophobicContact CB-CG 4.31Å; I230-K234 HydrophobicContact CG2-CD 4.1Å; I230-K234 WeakPolarHBondContact O-CB 3.42Å; I230-K234 VanDerWaalsContact O-CG 3.31Å; I230-K234 WeakPolarHBondContact O-CG 3.47Å; I230-K234 PolarHBondContact O-N 3.38Å; E231-K234 PolarHBondContact O-N 3.3Å; E231-K234 IonicContact OE1-NZ 2.92Å; E231-K234 PolarHBondContact OE1-NZ 3.28Å; E231-K234 IonicContact OE2-NZ 3.68Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K232-K234 PolarHBondContact O-N 2.92Å; K234-S236 PolarHBondContact O-N 3.1Å; K234-N237 WeakPolarHBondContact O-CA 3.41Å; K234-N237 PolarHBondContact O-N 3.21Å; K234-Y258 WeakPolarHBondContact CD-OH 3.45Å; K234-Y258 WeakPolarHBondContact CE-OH 3.47Å; K234-Y258 PolarHBondContact NZ-OH 3.02Å
235A91.4Very high93.4Very high75 Ų7542.4 Ų42.462%0.6223%0.229SC*.Hα-helixtrans-63.6-28.8176.700000112.1E231 K232 A233 N237E231-A235 WeakPolarHBondContact O-CB 3.07Å; E231-A235 PolarHBondContact O-N 3.42Å; K232-A235 PolarHBondContact O-N 3.39Å; A233-A235 PolarHBondContact O-N 2.87Å; A235-N237 VanDerWaalsContact C-N 3.25Å; A235-N237 PolarHBondContact O-N 3.18Å
236S92.1Very high92.5Very high82 Ų8239.7 Ų39.757%0.57323%0.228SC*.THydrogen-bonded Turntrans-86.413.5171.5-56.60000113.8K232 A233 K234 G238K232-S236 PolarHBondContact O-N 3.31Å; K232-S236 PolarHBondContact O-OG 3.48Å; A233-S236 CarbonylContact O-C 3.37Å; A233-S236 PolarHBondContact O-N 3.39Å; K234-S236 PolarHBondContact O-N 3.1Å; S236-G238 PolarHBondContact O-N 3.39Å; S236-G238 VanDerWaalsContact O-N 3.14Å
237N90.4Very high91.6Very high138 Ų13840.6 Ų40.674%0.73824%0.236SC*.THydrogen-bonded Turntrans54.926-174.4-156.550.5000114A233 K234 A235A233-N237 PolarHBondContact O-N 3.01Å; K234-N237 WeakPolarHBondContact O-CA 3.41Å; K234-N237 PolarHBondContact O-N 3.21Å; A235-N237 VanDerWaalsContact C-N 3.25Å; A235-N237 PolarHBondContact O-N 3.18Å
238G92Very high90.6Very high12 Ų1242.8 Ų42.812%0.12425%0.247CC..  trans-86.915617900000112.8A233 S236A233-G238 WeakPolarHBondContact O-CA 3.1Å; A233-G238 PolarHBondContact O-N 3.3Å; S236-G238 PolarHBondContact O-N 3.39Å; S236-G238 VanDerWaalsContact O-N 3.14Å
239C93.9Very high89.8Confident10 Ų1039 Ų397%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-106.4134.1174.7-166.50000111.3N165 Y167 G184 G186 Y187N165-C239 VanDerWaalsContact C-SG 3.52Å; Y167-C239 WeakPolarHBondContact CD2-SG 3.46Å; Y167-C239 WeakPolarHBondContact CE2-SG 3.33Å; G184-C239 WeakPolarHBondContact O-CB 3.3Å; G186-C239 PolarHBondContact N-O 3.17Å; G186-C239 VanDerWaalsContact N-O 3.08Å; Y187-C239 PolarHBondContact N-O 3.33Å
240V97.9Very high89.3Confident0 Ų038.7 Ų38.70%023%0.226CC..EExtended strand (participates in β ladder)trans-109.5133.5-174.4-176.30000111N165 L166 Y167 Y187 F229 I230 A233 I242N165-V240 PolarHBondContact O-N 3.27Å; L166-V240 WeakPolarHBondContact CA-O 3.42Å; L166-V240 HydrophobicContact CD1-CB 3.85Å; L166-V240 HydrophobicContact CD1-CG1 4.12Å; Y167-V240 PolarHBondContact N-O 2.89Å; Y187-V240 HydrophobicContact CG-CG2 4.46Å; Y187-V240 WeakPolarHBondContact O-CA 3.43Å; F229-V240 HydrophobicContact CE1-CG1 4.01Å; I230-V240 HydrophobicContact CG1-CG1 4.32Å; I230-V240 HydrophobicContact CG2-CG2 4.49Å; A233-V240 HydrophobicContact CB-CG2 3.31Å; V240-I242 HydrophobicContact CG1-CG1 4.37Å
241L97.5Very high89Confident0 Ų038.7 Ų38.70%023%0.226CC..EExtended strand (participates in β ladder)trans-103.3118.2162.9175.963.6000110.3P159 V174 M180 I185 Y187 V188 L189 H243P159-L241 HydrophobicContact CB-CD1 3.73Å; P159-L241 HydrophobicContact CG-CD1 4.47Å; V174-L241 HydrophobicContact CB-CD2 3.91Å; V174-L241 HydrophobicContact CG2-CD2 4.27Å; M180-L241 HydrophobicContact CE-CD2 4.37Å; M180-L241 HydrophobicContact SD-CD2 3.56Å; M180-L241 VanDerWaalsContact SD-CD2 3.56Å; I185-L241 HydrophobicContact CD1-CB 4.23Å; I185-L241 HydrophobicContact CG2-CB 3.55Å; Y187-L241 PolarHBondContact O-N 2.88Å; V188-L241 WeakPolarHBondContact CA-O 2.97Å; L189-L241 PolarHBondContact N-O 3.41Å; L241-H243 HydrophobicContact CG-CB 4.41Å
242I97.4Very high88.6Confident0 Ų037.4 Ų37.40%022%0.22CC..EExtended strand (participates in β ladder)trans-90122.6167.3-50.8174.6000107.6L166 Y167 L168 G169 L189 I230 V240 I254 A255L166-I242 HydrophobicContact CD1-CD1 3.73Å; L166-I242 HydrophobicContact CD1-CG1 3.84Å; L166-I242 HydrophobicContact CD2-CD1 4.25Å; L166-I242 HydrophobicContact CG-CD1 4.28Å; Y167-I242 PolarHBondContact O-N 2.97Å; L168-I242 WeakPolarHBondContact CA-O 3.32Å; G169-I242 PolarHBondContact N-O 3.41Å; L189-I242 HydrophobicContact CB-CG1 4.36Å; L189-I242 HydrophobicContact CD2-CG2 4.19Å; L189-I242 WeakPolarHBondContact O-CA 3.35Å; I230-I242 HydrophobicContact CD1-CD1 3.79Å; I230-I242 HydrophobicContact CD1-CG1 4.45Å; V240-I242 HydrophobicContact CG1-CG1 4.37Å; I242-I254 HydrophobicContact CD1-CG2 4.27Å; I242-I254 HydrophobicContact CG2-CB 4.3Å; I242-I254 HydrophobicContact CG2-CG2 4.34Å; I242-A255 HydrophobicContact CD1-CB 3.93Å
243H95.3Very high88.1Confident0 Ų030.2 Ų30.20%019%0.189CC..EExtended strand (participates in β ladder)trans-137.8159.5177.685.395.2000113G169 L189 N190 A191 L241 S251G169-H243 VanDerWaalsContact O-CA 3.28Å; G169-H243 WeakPolarHBondContact O-CA 3.48Å; G169-H243 WeakPolarHBondContact O-CB 3.49Å; L189-H243 PolarHBondContact O-N 2.92Å; N190-H243 VanDerWaalsContact CB-NE2 3.33Å; N190-H243 WeakPolarHBondContact CB-NE2 3.42Å; N190-H243 VanDerWaalsContact CG-CE1 3.48Å; N190-H243 VanDerWaalsContact CG-NE2 3.32Å; A191-H243 PolarHBondContact N-O 3.1Å; L241-H243 HydrophobicContact CG-CB 4.41Å; H243-S251 VanDerWaalsContact C-CB 3.42Å
244C89.4Confident87.9Confident0 Ų030.3 Ų30.30%019%0.189CC..  trans-131.2-156.7162.4710000107.9C170 Q171 A191 G247 R250 S251C170-C244 CarbonylContact C-O 3.43Å; Q171-C244 PolarHBondContact N-O 3.01Å; A191-C244 HydrophobicContact CB-CB 4.34Å; A191-C244 VanDerWaalsContact O-CB 3.3Å; A191-C244 WeakPolarHBondContact O-CB 3.31Å; C244-G247 PolarHBondContact SG-N 3.39Å; C244-R250 HydrophobicContact CB-CB 4.07Å; C244-S251 PolarHBondContact N-OG 3.33Å; C244-S251 PolarHBondContact SG-OG 3.02Å
245L80.5Confident87.9Confident90 Ų9027.2 Ų27.247%0.47118%0.176SC..SBendtrans-61.4-55.4177-177.561.6000111.5C170 Q171C170-L245 WeakPolarHBondContact CB-O 3.21Å; Q171-L245 HydrophobicContact CB-CD1 4.44Å; Q171-L245 PolarHBondContact N-O 3.33Å; Q171-L245 VanDerWaalsContact N-O 3.11Å; Q171-L245 VanDerWaalsContact OE1-CD1 3.29Å
246A76.1Confident87.5Confident53 Ų5323.6 Ų23.644%0.43815%0.146SC..SBendtrans-106-10.6-173.300000114.6C170 I248C170-A246 VanDerWaalsContact CB-C 3.44Å; A246-I248 VanDerWaalsContact C-N 3.34Å; A246-I248 HydrophobicContact CB-CB 4.4Å; A246-I248 HydrophobicContact CB-CD1 3.9Å; A246-I248 HydrophobicContact CB-CG1 4.16Å
247G77Confident87.2Confident18 Ų1819.8 Ų19.819%0.18612%0.119CC..SBendtrans7423.1-176.700000114.9G169 C244 S251G169-G247 WeakPolarHBondContact O-CA 3.37Å; C244-G247 PolarHBondContact SG-N 3.39Å; G247-S251 WeakPolarHBondContact CA-OG 3.46Å
248I71.3Confident87Confident60 Ų6013.3 Ų13.331%0.3089%0.085SC..SBendtrans-110.4-55.5-168-72.8173.1000112.5A246 A252 N297A246-I248 VanDerWaalsContact C-N 3.34Å; A246-I248 HydrophobicContact CB-CB 4.4Å; A246-I248 HydrophobicContact CB-CD1 3.9Å; A246-I248 HydrophobicContact CB-CG1 4.16Å; I248-A252 WeakPolarHBondContact O-CB 3.38Å; I248-N297 HydrophobicContact CB-CB 4.32Å; I248-N297 HydrophobicContact CG1-CB 4.26Å; I248-N297 HydrophobicContact CG2-CB 3.7Å; I248-N297 VanDerWaalsContact CG2-CG 3.45Å; I248-N297 VanDerWaalsContact CG2-OD1 3.25Å; I248-N297 WeakPolarHBondContact CG2-OD1 3.37Å
249S79.5Confident86.6Confident7 Ų712.7 Ų12.75%0.0498%0.079CC..SBendtrans-104.3-75.4-167.2164.60000112D213 S251 A252 T253 N304D213-S249 WeakPolarHBondContact OD1-CB 3.44Å; D213-S249 PolarHBondContact OD1-OG 3Å; S249-S251 PolarHBondContact O-N 3.44Å; S249-A252 PolarHBondContact O-N 2.89Å; S249-T253 WeakPolarHBondContact O-CB 3.44Å; S249-T253 PolarHBondContact O-N 3.01Å; S249-T253 PolarHBondContact O-OG1 3.06Å; S249-N304 PolarHBondContact OG-ND2 3.48Å
250R87.3Confident85.9Confident20 Ų2012.3 Ų12.38%0.0758%0.076CC..Hα-helixtrans-59.2-50.8-174.1-68162-78.8171.8-1.4114.1A191 V211 D213 I219 C244 T253 I254A191-R250 HydrophobicContact CB-CB 3.91Å; A191-R250 WeakPolarHBondContact O-CD 3.41Å; A191-R250 PolarHBondContact O-NH1 3.15Å; V211-R250 HydrophobicContact CG2-CB 4.22Å; V211-R250 HydrophobicContact CG2-CG 3.97Å; V211-R250 VanDerWaalsContact O-CD 3.3Å; V211-R250 WeakPolarHBondContact O-CD 3.17Å; V211-R250 PolarHBondContact O-NH1 3.07Å; V211-R250 VanDerWaalsContact O-NH1 3.14Å; D213-R250 VanDerWaalsContact CG-NE 3.34Å; D213-R250 IonicContact OD2-CZ 3.42Å; D213-R250 IonicContact OD2-NE 2.94Å; D213-R250 PolarHBondContact OD2-NE 3.1Å; D213-R250 IonicContact OD2-NH2 3.1Å; D213-R250 PolarHBondContact OD2-NH2 3.26Å; D213-R250 VanDerWaalsContact OD2-NH2 3.1Å; I219-R250 HydrophobicContact CD1-CB 4.47Å; C244-R250 HydrophobicContact CB-CB 4.07Å; R250-T253 WeakPolarHBondContact O-CB 3.44Å; R250-T253 PolarHBondContact O-N 3.17Å; R250-I254 PolarHBondContact O-N 3.29Å
251S89.6Confident85.2Confident0 Ų014.2 Ų14.20%08%0.084CC..Hα-helixtrans-68.1-39.2-179.550.60000112.4L168 H243 C244 G247 S249 T253 I254 A255L168-S251 VanDerWaalsContact CD1-CB 3.5Å; L168-S251 WeakPolarHBondContact CD1-OG 3.48Å; H243-S251 VanDerWaalsContact C-CB 3.42Å; C244-S251 PolarHBondContact N-OG 3.33Å; C244-S251 PolarHBondContact SG-OG 3.02Å; G247-S251 WeakPolarHBondContact CA-OG 3.46Å; S249-S251 PolarHBondContact O-N 3.44Å; S251-T253 VanDerWaalsContact C-N 3.31Å; S251-T253 PolarHBondContact O-N 2.97Å; S251-I254 PolarHBondContact O-N 2.9Å; S251-A255 WeakPolarHBondContact O-CB 3.4Å; S251-A255 PolarHBondContact O-N 3.29Å
252A83.9Confident84.4Confident3 Ų319.8 Ų19.83%0.02511%0.105CC..Hα-helixtrans-63.2-39.917500000111.5L168 I248 S249 I254 A255 I256 Q274 A301L168-A252 HydrophobicContact CD2-CB 4.11Å; I248-A252 WeakPolarHBondContact O-CB 3.38Å; S249-A252 PolarHBondContact O-N 2.89Å; A252-I254 PolarHBondContact O-N 2.81Å; A252-A255 PolarHBondContact O-N 2.89Å; A252-I256 WeakPolarHBondContact O-CG1 3.39Å; A252-I256 PolarHBondContact O-N 3.32Å; A252-Q274 PolarHBondContact O-NE2 3.43Å; A252-A301 HydrophobicContact CB-CB 4.09Å
253T83.3Confident83.3Confident1 Ų123 Ų231%0.00612%0.121CC..Hα-helixtrans-58-46.8176-560000111.5I219 S249 R250 S251 A257 A301 N304 L305I219-T253 HydrophobicContact CD1-CG2 4.04Å; I219-T253 HydrophobicContact CG2-CG2 4.09Å; S249-T253 WeakPolarHBondContact O-CB 3.44Å; S249-T253 PolarHBondContact O-N 3.01Å; S249-T253 PolarHBondContact O-OG1 3.06Å; R250-T253 WeakPolarHBondContact O-CB 3.44Å; R250-T253 PolarHBondContact O-N 3.17Å; S251-T253 VanDerWaalsContact C-N 3.31Å; S251-T253 PolarHBondContact O-N 2.97Å; T253-A257 WeakPolarHBondContact O-CB 3.34Å; T253-A257 PolarHBondContact O-N 2.84Å; T253-A301 WeakPolarHBondContact OG1-CA 3.48Å; T253-N304 HydrophobicContact CG2-CB 4.38Å; T253-L305 HydrophobicContact CG2-CD1 3.81Å; T253-L305 HydrophobicContact CG2-CG 3.75Å
254I91.5Very high82.2Confident2 Ų229.5 Ų29.51%0.0116%0.156CC..Hα-helixtrans-65.3-42.2177.2-64.5174.4000111L189 A191 V209 I219 L223 I242 R250 S251 A252 A257 Y258L189-I254 HydrophobicContact CD1-CG2 4.14Å; L189-I254 HydrophobicContact CD2-CD1 3.83Å; A191-I254 HydrophobicContact CB-CD1 3.74Å; V209-I254 HydrophobicContact CB-CD1 4.33Å; V209-I254 HydrophobicContact CG1-CD1 4.15Å; V209-I254 HydrophobicContact CG2-CD1 4.29Å; I219-I254 HydrophobicContact CD1-CD1 4.32Å; I219-I254 HydrophobicContact CD1-CG1 3.92Å; I219-I254 HydrophobicContact CG1-CG1 4.36Å; L223-I254 HydrophobicContact CD2-CG1 4.09Å; I242-I254 HydrophobicContact CD1-CG2 4.27Å; I242-I254 HydrophobicContact CG2-CB 4.3Å; I242-I254 HydrophobicContact CG2-CG2 4.34Å; R250-I254 PolarHBondContact O-N 3.29Å; S251-I254 PolarHBondContact O-N 2.9Å; A252-I254 PolarHBondContact O-N 2.81Å; I254-A257 PolarHBondContact O-N 2.94Å; I254-Y258 WeakPolarHBondContact O-CB 3.29Å; I254-Y258 PolarHBondContact O-N 2.8Å
255A89.2Confident81.2Confident0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-62.3-44.4178.600000112.3I162 I242 S251 A252 Y258 I259I162-A255 HydrophobicContact CD1-CB 3.8Å; I242-A255 HydrophobicContact CD1-CB 3.93Å; S251-A255 WeakPolarHBondContact O-CB 3.4Å; S251-A255 PolarHBondContact O-N 3.29Å; A252-A255 PolarHBondContact O-N 2.89Å; A255-Y258 WeakPolarHBondContact O-CB 3.42Å; A255-Y258 PolarHBondContact O-N 2.83Å; A255-I259 WeakPolarHBondContact O-CG1 3.21Å; A255-I259 PolarHBondContact O-N 3.42Å
256I82.8Confident80.6Confident0 Ų029.9 Ų29.90%016%0.162CC..Hα-helixtrans-62.1-48.5175.7-68.9170000110.3A252 Y258 I259 M260 L267 A270 A301 L305A252-I256 WeakPolarHBondContact O-CG1 3.39Å; A252-I256 PolarHBondContact O-N 3.32Å; I256-Y258 PolarHBondContact O-N 3.11Å; I256-I259 PolarHBondContact O-N 2.61Å; I256-I259 VanDerWaalsContact O-N 3.13Å; I256-M260 HydrophobicContact CG2-CG 4.28Å; I256-M260 HydrophobicContact CG2-SD 3.61Å; I256-M260 VanDerWaalsContact O-CG 3.27Å; I256-M260 WeakPolarHBondContact O-CG 3.31Å; I256-M260 PolarHBondContact O-N 3.36Å; I256-L267 HydrophobicContact CG2-CD1 3.63Å; I256-A270 HydrophobicContact CG2-CB 4.24Å; I256-A301 HydrophobicContact CD1-CB 3.7Å; I256-L305 HydrophobicContact CB-CD1 3.93Å; I256-L305 HydrophobicContact CD1-CD1 4.3Å; I256-L305 HydrophobicContact CG2-CD1 3.69Å
257A85Confident79.9Confident1 Ų128.1 Ų28.11%0.00815%0.145CC..Hα-helixtrans-56.7-40.2178.300000112.2L223 T253 I254 K261 L305L223-A257 HydrophobicContact CD1-CB 3.8Å; L223-A257 HydrophobicContact CD2-CB 3.94Å; L223-A257 HydrophobicContact CG-CB 4.37Å; T253-A257 WeakPolarHBondContact O-CB 3.34Å; T253-A257 PolarHBondContact O-N 2.84Å; I254-A257 PolarHBondContact O-N 2.94Å; A257-K261 VanDerWaalsContact O-CB 3.32Å; A257-K261 WeakPolarHBondContact O-CB 3.42Å; A257-K261 PolarHBondContact O-N 2.87Å; A257-L305 HydrophobicContact CB-CD2 4.04Å
258Y87.7Confident79.1Confident2 Ų231 Ų311%0.00816%0.156CC..Hα-helixtrans-63.3-47.9175.6173.5-94000112.5L163 L166 V227 I230 E231 K234 I254 A255 I256 M260 K261 R262L163-Y258 HydrophobicContact CD1-CD1 4.26Å; L163-Y258 HydrophobicContact CD1-CE1 3.66Å; L166-Y258 HydrophobicContact CD2-CD1 3.49Å; L166-Y258 VanDerWaalsContact CD2-CD1 3.49Å; L166-Y258 HydrophobicContact CD2-CE1 3.72Å; L166-Y258 HydrophobicContact CD2-CG 4.37Å; V227-Y258 HydrophobicContact CB-CD2 4.41Å; V227-Y258 HydrophobicContact CG1-CD2 4.21Å; V227-Y258 HydrophobicContact CG1-CE2 4.47Å; V227-Y258 HydrophobicContact CG2-CD2 4.16Å; I230-Y258 HydrophobicContact CB-CD2 3.94Å; I230-Y258 HydrophobicContact CB-CE2 3.69Å; I230-Y258 HydrophobicContact CD1-CD2 3.57Å; I230-Y258 HydrophobicContact CD1-CE2 4.2Å; I230-Y258 HydrophobicContact CD1-CG 3.77Å; I230-Y258 HydrophobicContact CG1-CD2 4.38Å; I230-Y258 HydrophobicContact CG2-CD2 3.88Å; I230-Y258 HydrophobicContact CG2-CE1 4.06Å; I230-Y258 HydrophobicContact CG2-CE2 3.33Å; I230-Y258 HydrophobicContact CG2-CG 4.43Å; I230-Y258 VanDerWaalsContact CG2-CZ 3.44Å; E231-Y258 HydrophobicContact CG-CE2 4.2Å; E231-Y258 VanDerWaalsContact OE1-CE2 3.29Å; E231-Y258 WeakPolarHBondContact OE1-CE2 3.36Å; E231-Y258 VanDerWaalsContact OE1-CZ 3.29Å; E231-Y258 PolarHBondContact OE1-OH 2.87Å; K234-Y258 WeakPolarHBondContact CD-OH 3.45Å; K234-Y258 WeakPolarHBondContact CE-OH 3.47Å; K234-Y258 PolarHBondContact NZ-OH 3.02Å; I254-Y258 WeakPolarHBondContact O-CB 3.29Å; I254-Y258 PolarHBondContact O-N 2.8Å; A255-Y258 WeakPolarHBondContact O-CB 3.42Å; A255-Y258 PolarHBondContact O-N 2.83Å; I256-Y258 PolarHBondContact O-N 3.11Å; Y258-M260 VanDerWaalsContact C-N 3.35Å; Y258-M260 PolarHBondContact O-N 3.15Å; Y258-K261 PolarHBondContact O-N 2.93Å; Y258-R262 HydrophobicContact CD2-CG 3.98Å; Y258-R262 HydrophobicContact CE1-CB 4.49Å; Y258-R262 HydrophobicContact CE1-CG 4.4Å; Y258-R262 HydrophobicContact CE2-CB 4.44Å; Y258-R262 HydrophobicContact CE2-CG 3.53Å; Y258-R262 WeakPolarHBondContact O-CB 2.96Å; Y258-R262 PolarHBondContact O-N 3.44Å
259I83.6Confident78.6Confident0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-58.8-48177.8-65.5166.2000110.3I162 A255 I256 K261 R262 M263 M265 A270I162-I259 HydrophobicContact CG2-CD1 3.58Å; I162-I259 HydrophobicContact CG2-CG1 4.33Å; A255-I259 WeakPolarHBondContact O-CG1 3.21Å; A255-I259 PolarHBondContact O-N 3.42Å; I256-I259 PolarHBondContact O-N 2.61Å; I256-I259 VanDerWaalsContact O-N 3.13Å; I259-K261 VanDerWaalsContact C-N 3.33Å; I259-K261 PolarHBondContact O-N 2.99Å; I259-R262 PolarHBondContact O-N 3.12Å; I259-M263 HydrophobicContact CG2-CB 4.42Å; I259-M263 HydrophobicContact CG2-CG 4.28Å; I259-M263 HydrophobicContact CG2-SD 3.89Å; I259-M263 VanDerWaalsContact O-CB 3.27Å; I259-M263 WeakPolarHBondContact O-CB 3.47Å; I259-M263 PolarHBondContact O-N 3.08Å; I259-M265 HydrophobicContact CG2-SD 3.75Å; I259-A270 HydrophobicContact CB-CB 3.95Å; I259-A270 HydrophobicContact CG2-CB 3.57Å
260M79.2Confident77.8Confident2 Ų232 Ų321%0.0116%0.158CC..Hα-helixtrans-57.8-47.5178.7-64.7166.467.100111.3I256 Y258 R262 D264 M265 L267 A270 L305 W319I256-M260 HydrophobicContact CG2-CG 4.28Å; I256-M260 HydrophobicContact CG2-SD 3.61Å; I256-M260 VanDerWaalsContact O-CG 3.27Å; I256-M260 WeakPolarHBondContact O-CG 3.31Å; I256-M260 PolarHBondContact O-N 3.36Å; Y258-M260 VanDerWaalsContact C-N 3.35Å; Y258-M260 PolarHBondContact O-N 3.15Å; M260-R262 VanDerWaalsContact C-N 3.35Å; M260-R262 PolarHBondContact O-N 3.45Å; M260-D264 PolarHBondContact O-N 3.45Å; M260-M265 WeakPolarHBondContact CA-O 3.41Å; M260-M265 PolarHBondContact O-N 2.96Å; M260-L267 HydrophobicContact CE-CB 3.76Å; M260-L267 HydrophobicContact CE-CD1 4.09Å; M260-L267 HydrophobicContact CE-CG 4.48Å; M260-L267 HydrophobicContact SD-CB 4.17Å; M260-L267 HydrophobicContact SD-CD1 3.55Å; M260-L267 VanDerWaalsContact SD-CD1 3.55Å; M260-L267 HydrophobicContact SD-CG 4.47Å; M260-A270 HydrophobicContact CB-CB 4.5Å; M260-A270 HydrophobicContact CG-CB 3.37Å; M260-A270 HydrophobicContact SD-CB 4.44Å; M260-L305 HydrophobicContact SD-CD2 4.29Å; M260-W319 HydrophobicContact CE-CB 3.33Å; M260-W319 HydrophobicContact CE-CD2 3.64Å; M260-W319 HydrophobicContact CE-CE3 3.71Å; M260-W319 HydrophobicContact CE-CG 3.47Å; M260-W319 VanDerWaalsContact CE-CG 3.47Å; M260-W319 HydrophobicContact SD-CE3 4.4Å
261K81.4Confident76.4Confident40 Ų4032.2 Ų32.217%0.17416%0.16CC..Hα-helixtrans-65.1-36.4-178.4-172.262.8174174.60112.8V227 A257 Y258 I259 W322 A323 S325V227-K261 HydrophobicContact CG1-CG 4.22Å; V227-K261 HydrophobicContact CG2-CB 4.42Å; V227-K261 HydrophobicContact CG2-CG 4.35Å; A257-K261 VanDerWaalsContact O-CB 3.32Å; A257-K261 WeakPolarHBondContact O-CB 3.42Å; A257-K261 PolarHBondContact O-N 2.87Å; Y258-K261 PolarHBondContact O-N 2.93Å; I259-K261 VanDerWaalsContact C-N 3.33Å; I259-K261 PolarHBondContact O-N 2.99Å; K261-W322 HydrophobicContact CB-CH2 4.26Å; K261-W322 HydrophobicContact CB-CZ3 3.99Å; K261-W322 HydrophobicContact CD-CE3 4.39Å; K261-W322 HydrophobicContact CD-CH2 4.25Å; K261-W322 HydrophobicContact CD-CZ3 4.05Å; K261-W322 HydrophobicContact CG-CH2 4.32Å; K261-W322 HydrophobicContact CG-CZ3 4.33Å; K261-W322 PolarHBondContact NZ-O 3.09Å; K261-A323 WeakPolarHBondContact CD-O 3.48Å; K261-A323 PolarHBondContact NZ-O 3.03Å; K261-S325 PolarHBondContact NZ-O 3.1Å
262R82.3Confident75Confident116 Ų11639.5 Ų39.544%0.43819%0.187SC..Hα-helixtrans-100.8-22.2-169.7-69.9-54.1-52.2-118.2-24.3115.3V227 E231 Y258 I259 M260V227-R262 HydrophobicContact CG1-CG 4.49Å; E231-R262 VanDerWaalsContact CD-NH2 3.31Å; E231-R262 IonicContact OE1-CZ 2.7Å; E231-R262 IonicContact OE1-NE 3.5Å; E231-R262 IonicContact OE1-NH1 3.08Å; E231-R262 PolarHBondContact OE1-NH1 2.73Å; E231-R262 IonicContact OE1-NH2 3.33Å; E231-R262 PolarHBondContact OE1-NH2 3.43Å; E231-R262 IonicContact OE2-CZ 3.11Å; E231-R262 IonicContact OE2-NH1 3.28Å; E231-R262 PolarHBondContact OE2-NH1 3.18Å; E231-R262 IonicContact OE2-NH2 2.84Å; E231-R262 PolarHBondContact OE2-NH2 3.36Å; Y258-R262 HydrophobicContact CD2-CG 3.98Å; Y258-R262 HydrophobicContact CE1-CB 4.49Å; Y258-R262 HydrophobicContact CE1-CG 4.4Å; Y258-R262 HydrophobicContact CE2-CB 4.44Å; Y258-R262 HydrophobicContact CE2-CG 3.53Å; Y258-R262 WeakPolarHBondContact O-CB 2.96Å; Y258-R262 PolarHBondContact O-N 3.44Å; I259-R262 PolarHBondContact O-N 3.12Å; M260-R262 VanDerWaalsContact C-N 3.35Å; M260-R262 PolarHBondContact O-N 3.45Å
263M74.4Confident73.9Confident68 Ų6845.6 Ų45.634%0.33521%0.21SC..Hα-helixtrans-109.55.7-178.8-55.3-169.170.300112.5L163 I259 M265L163-M263 HydrophobicContact CD2-SD 3.89Å; I259-M263 HydrophobicContact CG2-CB 4.42Å; I259-M263 HydrophobicContact CG2-CG 4.28Å; I259-M263 HydrophobicContact CG2-SD 3.89Å; I259-M263 VanDerWaalsContact O-CB 3.27Å; I259-M263 WeakPolarHBondContact O-CB 3.47Å; I259-M263 PolarHBondContact O-N 3.08Å; M263-M265 HydrophobicContact CB-CB 4.45Å; M263-M265 HydrophobicContact CB-CE 4.01Å; M263-M265 HydrophobicContact CB-CG 3.8Å; M263-M265 HydrophobicContact CB-SD 3.79Å; M263-M265 HydrophobicContact CE-CE 3.62Å; M263-M265 HydrophobicContact CE-SD 4.36Å; M263-M265 PolarHBondContact O-N 3.27Å; M263-M265 HydrophobicContact SD-CE 4.17Å; M263-M265 HydrophobicContact SD-SD 4.12Å
264D71.9Confident72.5Confident136 Ų13646.5 Ų46.573%0.72721%0.214SC*.THydrogen-bonded Turntrans49.740.4-175-159.431.5000112.1M260M260-D264 PolarHBondContact O-N 3.45Å
265M68.4Low70.5Confident43 Ų4349.3 Ų49.321%0.21223%0.226CC..  trans-97.2141.5-177.1-77.6178.2178.100110.2I259 M260 M263 E269 A270I259-M265 HydrophobicContact CG2-SD 3.75Å; M260-M265 WeakPolarHBondContact CA-O 3.41Å; M260-M265 PolarHBondContact O-N 2.96Å; M263-M265 HydrophobicContact CB-CB 4.45Å; M263-M265 HydrophobicContact CB-CE 4.01Å; M263-M265 HydrophobicContact CB-CG 3.8Å; M263-M265 HydrophobicContact CB-SD 3.79Å; M263-M265 HydrophobicContact CE-CE 3.62Å; M263-M265 HydrophobicContact CE-SD 4.36Å; M263-M265 PolarHBondContact O-N 3.27Å; M263-M265 HydrophobicContact SD-CE 4.17Å; M263-M265 HydrophobicContact SD-SD 4.12Å; M265-E269 HydrophobicContact CB-CB 3.97Å; M265-E269 HydrophobicContact CG-CB 4.14Å; M265-E269 HydrophobicContact SD-CB 4.47Å; M265-A270 HydrophobicContact CB-CB 4.26Å
266S66.8Low68.1Low55 Ų5552.9 Ų52.939%0.38525%0.249SC..  trans-61161.4164.864.10000111D268 E269 A270S266-D268 PolarHBondContact O-N 3.22Å; S266-E269 WeakPolarHBondContact CB-OE2 3.41Å; S266-E269 PolarHBondContact N-OE2 3.28Å; S266-E269 PolarHBondContact O-N 3.09Å; S266-E269 WeakPolarHBondContact OG-CB 2.99Å; S266-E269 WeakPolarHBondContact OG-CG 3.32Å; S266-E269 PolarHBondContact OG-N 3.22Å; S266-E269 PolarHBondContact OG-OE2 3.04Å; S266-A270 WeakPolarHBondContact O-CB 3.4Å; S266-A270 PolarHBondContact O-N 3.04Å
267L62.3Low65.8Low16 Ų1658 Ų588%0.08428%0.28CS..Hα-helixtrans-55.1-42.2177.2179.457.3000111.5I256 M260 Y271 K302 L305 E306I256-L267 HydrophobicContact CG2-CD1 3.63Å; M260-L267 HydrophobicContact CE-CB 3.76Å; M260-L267 HydrophobicContact CE-CD1 4.09Å; M260-L267 HydrophobicContact CE-CG 4.48Å; M260-L267 HydrophobicContact SD-CB 4.17Å; M260-L267 HydrophobicContact SD-CD1 3.55Å; M260-L267 VanDerWaalsContact SD-CD1 3.55Å; M260-L267 HydrophobicContact SD-CG 4.47Å; L267-Y271 WeakPolarHBondContact O-CB 3.49Å; L267-Y271 PolarHBondContact O-N 2.91Å; L267-K302 HydrophobicContact CD1-CG 4.36Å; L267-K302 HydrophobicContact CD2-CD 4.46Å; L267-K302 HydrophobicContact CD2-CG 3.66Å; L267-K302 HydrophobicContact CG-CG 3.98Å; L267-L305 HydrophobicContact CD1-CB 4.48Å; L267-L305 HydrophobicContact CD1-CD1 4.17Å; L267-E306 HydrophobicContact CD2-CG 3.93Å
268D60.1Low63.6Low80 Ų8065 Ų6543%0.42832%0.318SS..Hα-helixtrans-70.1-33.3-179.4-67.9-39.5000113.4S266 R272 K302S266-D268 PolarHBondContact O-N 3.22Å; D268-R272 WeakPolarHBondContact O-CG 3.45Å; D268-R272 PolarHBondContact O-N 2.89Å; D268-R272 VanDerWaalsContact O-N 3.12Å; D268-R272 PolarHBondContact O-NE 3.01Å; D268-K302 IonicContact OD1-NZ 2.72Å; D268-K302 PolarHBondContact OD1-NZ 3.5Å
269E60.5Low60.9Low86 Ų8675.7 Ų75.740%0.40236%0.358SS..Hα-helixtrans-72.2-46.9174.6-72.8166.114500111.6M265 S266 Y271 R272 R273M265-E269 HydrophobicContact CB-CB 3.97Å; M265-E269 HydrophobicContact CG-CB 4.14Å; M265-E269 HydrophobicContact SD-CB 4.47Å; S266-E269 WeakPolarHBondContact CB-OE2 3.41Å; S266-E269 PolarHBondContact N-OE2 3.28Å; S266-E269 PolarHBondContact O-N 3.09Å; S266-E269 WeakPolarHBondContact OG-CB 2.99Å; S266-E269 WeakPolarHBondContact OG-CG 3.32Å; S266-E269 PolarHBondContact OG-N 3.22Å; S266-E269 PolarHBondContact OG-OE2 3.04Å; E269-Y271 VanDerWaalsContact C-N 3.27Å; E269-Y271 PolarHBondContact O-N 3.05Å; E269-R272 PolarHBondContact O-N 3.15Å; E269-R273 PolarHBondContact O-N 3.37Å; E269-R273 VanDerWaalsContact O-N 3.07Å
270A61.8Low58.4Low0 Ų080 Ų800%039%0.393CS..Hα-helixtrans-60-41.3177.300000111.5I256 I259 M260 M265 S266 R273 Q274I256-A270 HydrophobicContact CG2-CB 4.24Å; I259-A270 HydrophobicContact CB-CB 3.95Å; I259-A270 HydrophobicContact CG2-CB 3.57Å; M260-A270 HydrophobicContact CB-CB 4.5Å; M260-A270 HydrophobicContact CG-CB 3.37Å; M260-A270 HydrophobicContact SD-CB 4.44Å; M265-A270 HydrophobicContact CB-CB 4.26Å; S266-A270 WeakPolarHBondContact O-CB 3.4Å; S266-A270 PolarHBondContact O-N 3.04Å; A270-R273 PolarHBondContact O-N 2.97Å; A270-Q274 PolarHBondContact O-N 3.19Å
271Y58.1Low56.3Low26 Ų2686.1 Ų86.110%0.10243%0.426CS..Hα-helixtrans-60-49.7173.9173.9-82.5000112.3L267 E269 R273 Q274 K275 A298L267-Y271 WeakPolarHBondContact O-CB 3.49Å; L267-Y271 PolarHBondContact O-N 2.91Å; E269-Y271 VanDerWaalsContact C-N 3.27Å; E269-Y271 PolarHBondContact O-N 3.05Å; Y271-R273 PolarHBondContact O-N 3.06Å; Y271-Q274 PolarHBondContact O-N 3.23Å; Y271-K275 HydrophobicContact CE1-CD 4.16Å; Y271-K275 PolarHBondContact O-N 2.92Å; Y271-K275 VanDerWaalsContact OH-CE 3.25Å; Y271-K275 WeakPolarHBondContact OH-CE 3.35Å; Y271-K275 PolarHBondContact OH-NZ 2.83Å; Y271-A298 HydrophobicContact CD2-CB 3.6Å; Y271-A298 HydrophobicContact CE1-CB 4.46Å; Y271-A298 HydrophobicContact CE2-CB 3.02Å; Y271-A298 WeakPolarHBondContact CE2-O 3.33Å; Y271-A298 VanDerWaalsContact CZ-CB 3.48Å
272R61.8Low53.8Low153 Ų15389.2 Ų89.258%0.57745%0.453SS*.Hα-helixtrans-61.9-31.9179.7-85.8179.9-76.1138.9-6.1112.3D268 E269 K275D268-R272 WeakPolarHBondContact O-CG 3.45Å; D268-R272 PolarHBondContact O-N 2.89Å; D268-R272 VanDerWaalsContact O-N 3.12Å; D268-R272 PolarHBondContact O-NE 3.01Å; E269-R272 PolarHBondContact O-N 3.15Å; R272-K275 PolarHBondContact O-N 3.49Å
273R59.8Low51.5Low131 Ų13195.3 Ų95.349%0.49448%0.476SS..Hα-helixtrans-76.1-26.6180-164.9172.7-176.387.31.6113.8E269 A270 Y271 K275E269-R273 PolarHBondContact O-N 3.37Å; E269-R273 VanDerWaalsContact O-N 3.07Å; A270-R273 PolarHBondContact O-N 2.97Å; Y271-R273 PolarHBondContact O-N 3.06Å; R273-K275 VanDerWaalsContact C-N 3.27Å
274Q54.3Low49.6Very low20 Ų20102.7 Ų102.79%0.09350%0.5CS..Hα-helixtrans-71.6-24.4172.9-175.4176.358.700112.1I162 L168 A252 A270 Y271I162-Q274 HydrophobicContact CD1-CG 3.89Å; I162-Q274 HydrophobicContact CG1-CG 4.44Å; L168-Q274 HydrophobicContact CD2-CG 4.45Å; A252-Q274 PolarHBondContact O-NE2 3.43Å; A270-Q274 PolarHBondContact O-N 3.19Å; Y271-Q274 PolarHBondContact O-N 3.23Å
275K48.4Very low47.7Very low60 Ų60101.6 Ų101.626%0.26150%0.498SS..SBendtrans-73.9126.9172.8-67.9-170.1176.4179.70109.5Y271 R272 R273 T277Y271-K275 HydrophobicContact CE1-CD 4.16Å; Y271-K275 PolarHBondContact O-N 2.92Å; Y271-K275 VanDerWaalsContact OH-CE 3.25Å; Y271-K275 WeakPolarHBondContact OH-CE 3.35Å; Y271-K275 PolarHBondContact OH-NZ 2.83Å; R272-K275 PolarHBondContact O-N 3.49Å; R273-K275 VanDerWaalsContact C-N 3.27Å; K275-T277 PolarHBondContact O-N 2.84Å
276P40.4Very low45.9Very low75 Ų75104.1 Ų104.149%0.48754%0.536SS..PPolyproline II helixtrans-58.6124.3168.322.7-29000108.4D278P276-D278 PolarHBondContact O-N 2.91Å
277T34.2Very low44.2Very low107 Ų107108.7 Ų108.766%0.65655%0.553SS**PPolyproline II helixtrans-74.3122.817629.20000109.4K275 R279K275-T277 PolarHBondContact O-N 2.84Å; T277-R279 PolarHBondContact O-N 3.24Å
278D38.6Very low42.5Very low149 Ų149118.2 Ų118.280%0.79759%0.594SS**THydrogen-bonded Turntrans-61.111.2173.8-66.7-41.3000114.6P276P276-D278 PolarHBondContact O-N 2.91Å
279R30.8Very low41.1Very low227 Ų227124.1 Ų124.186%0.85761%0.61SS**THydrogen-bonded Turntrans-102.2-6.1-172-76.3-172.9175.5167.1-0.6115.3T277T277-R279 PolarHBondContact O-N 3.24Å
280A31.2Very low39.6Very low90 Ų90123.9 Ų123.974%0.74462%0.622SS**SBendtrans-105.2-5.6-169.300000116.8
281D33.8Very low38Very low130 Ų130129.2 Ų129.270%0.69566%0.657SS**  trans-132.924.1-175.4-157.615.6000115.1R283D281-R283 PolarHBondContact O-N 3.39Å
282S30.6Very low36.7Very low106 Ų106132.7 Ų132.774%0.74168%0.677SS**THydrogen-bonded Turntrans-80.414.2179.663.80000114.6
283R34Very low35.1Very low243 Ų243131.5 Ų131.592%0.91768%0.676SS**THydrogen-bonded Turntrans-117.815.3-175.7-90.7-163.2-87.3-169.6-5.1116.5D281D281-R283 PolarHBondContact O-N 3.39Å
284R34.4Very low33.9Very low224 Ų224127.6 Ų127.685%0.84567%0.669SS**SBendtrans-137.7-10.7173.3-136.8173.5-171.4-164.50.9121.2
285T31.2Very low33Very low112 Ų112129.8 Ų129.869%0.68769%0.686SS**  trans-146.6126.9170.753.10000111.5M287T285-M287 PolarHBondContact O-N 3.47Å
286G31.8Very low32.4Very low97 Ų97129.2 Ų129.2100%169%0.686SS**  trans-73.354.3179.100000113.5
287M29.9Very low32.5Very low150 Ų150128.1 Ų128.174%0.73968%0.676SS**  trans-126.6110174.1-156.995.382.800108.1T285 R289T285-M287 PolarHBondContact O-N 3.47Å; M287-R289 PolarHBondContact O-N 3.1Å
288K27.8Very low33Very low217 Ų217123.2 Ų123.294%0.94365%0.646SS**  trans-67.1101.3174.4-67.8-175.7-179.5-178.90108.3
289R30.6Very low33.2Very low204 Ų204118.9 Ų118.977%0.7762%0.621SS**PPolyproline II helixtrans-76.6130.6172.2-75.7-179.4171.3178.1-2.2109.1M287M287-R289 PolarHBondContact O-N 3.1Å
290A27.4Very low33.9Very low80 Ų80109 Ų10966%0.66159%0.588SS**PPolyproline II helixtrans-57.4148.417500000111.1L292A290-L292 PolarHBondContact O-N 3Å; A290-L292 VanDerWaalsContact O-N 3.14Å
291P28.8Very low34.7Very low113 Ų113104.8 Ų104.873%0.73455%0.553SS**PPolyproline II helixtrans-57.4121.3177.422.7-32000109.6
292L30.5Very low35.4Very low99 Ų99101.1 Ų101.152%0.51853%0.531SS..PPolyproline II helixtrans-61.4145.9175.7-97.295.9000109.6A290 S294A290-L292 PolarHBondContact O-N 3Å; A290-L292 VanDerWaalsContact O-N 3.14Å; L292-S294 PolarHBondContact O-N 3.3Å; L292-S294 PolarHBondContact O-OG 3.12Å
293K28.9Very low36.2Very low127 Ų127100 Ų10055%0.55251%0.511SS*.THydrogen-bonded Turntrans-58.823176.3-66.9177.2175.2178.80115.2S295K293-S295 VanDerWaalsContact C-N 3.31Å; K293-S295 PolarHBondContact O-N 3.43Å
294S35Very low36.9Very low49 Ų4990.2 Ų90.234%0.34348%0.476SS..THydrogen-bonded Turntrans-77.3-9.6-18062.10000113.8L292L292-S294 PolarHBondContact O-N 3.3Å; L292-S294 PolarHBondContact O-OG 3.12Å
295S35.2Very low37.7Very low66 Ų6679.6 Ų79.646%0.46244%0.436SS..SBendtrans-77.2-32.6176.765.30000113.9K293 N297K293-S295 VanDerWaalsContact C-N 3.31Å; K293-S295 PolarHBondContact O-N 3.43Å; S295-N297 PolarHBondContact O-N 2.9Å
296L35.2Very low38.7Very low49 Ų4978.6 Ų78.626%0.25742%0.424SS..THydrogen-bonded Turntrans-74.5-22.9-169.8-84.8152.5000115.7T39T39-L296 HydrophobicContact CG2-CD2 3.62Å; T39-L296 WeakPolarHBondContact OG1-CD2 3.01Å
297N43.7Very low39.6Very low51 Ų5178.2 Ų78.227%0.27339%0.392SS..THydrogen-bonded Turntrans-108.9-7.2-162.5-74-31.8000113.6I248 S295I248-N297 HydrophobicContact CB-CB 4.32Å; I248-N297 HydrophobicContact CG1-CB 4.26Å; I248-N297 HydrophobicContact CG2-CB 3.7Å; I248-N297 VanDerWaalsContact CG2-CG 3.45Å; I248-N297 VanDerWaalsContact CG2-OD1 3.25Å; I248-N297 WeakPolarHBondContact CG2-OD1 3.37Å; S295-N297 PolarHBondContact O-N 2.9Å
298A42.8Very low40.4Very low4 Ų472.1 Ų72.13%0.03337%0.366CS..Hα-helixtrans-90.1-20.9-177.900000112.1Y271 A301 K302Y271-A298 HydrophobicContact CD2-CB 3.6Å; Y271-A298 HydrophobicContact CE1-CB 4.46Å; Y271-A298 HydrophobicContact CE2-CB 3.02Å; Y271-A298 WeakPolarHBondContact CE2-O 3.33Å; Y271-A298 VanDerWaalsContact CZ-CB 3.48Å; A298-A301 PolarHBondContact O-N 3.05Å; A298-K302 WeakPolarHBondContact O-CB 3.14Å; A298-K302 PolarHBondContact O-N 3.4Å
299E44.1Very low41.1Very low59 Ų5962.6 Ų62.628%0.27633%0.325SS..Hα-helixtrans-74-35.8176.2-80.5175.1154.400112.9N38 A301 K302 W303N38-E299 HydrophobicContact CB-CB 4.3Å; N38-E299 VanDerWaalsContact CB-OE2 3.28Å; N38-E299 WeakPolarHBondContact CB-OE2 3.36Å; N38-E299 VanDerWaalsContact O-OE2 3.1Å; N38-E299 PolarHBondContact OD1-OE2 2.91Å; E299-A301 VanDerWaalsContact C-N 3.28Å; E299-A301 PolarHBondContact O-N 3.5Å; E299-K302 PolarHBondContact O-N 3.13Å; E299-W303 VanDerWaalsContact O-CB 3.3Å; E299-W303 WeakPolarHBondContact O-CB 3.41Å; E299-W303 PolarHBondContact O-N 3.43Å
300A44.2Very low41.5Very low20 Ų2055.9 Ų55.917%0.16531%0.309CS..Hα-helixtrans-60.3-39.1171.200000112.2F34 N304F34-A300 HydrophobicContact CE1-CB 3.79Å; A300-N304 WeakPolarHBondContact O-CB 3.26Å; A300-N304 PolarHBondContact O-N 3.35Å; A300-N304 PolarHBondContact O-ND2 3.27Å
301A48.7Very low42.1Very low0 Ų060.8 Ų60.80%031%0.31CS..Hα-helixtrans-66-52.8172.700000110.5A252 T253 I256 A298 E299 W303 N304 L305A252-A301 HydrophobicContact CB-CB 4.09Å; T253-A301 WeakPolarHBondContact OG1-CA 3.48Å; I256-A301 HydrophobicContact CD1-CB 3.7Å; A298-A301 PolarHBondContact O-N 3.05Å; E299-A301 VanDerWaalsContact C-N 3.28Å; E299-A301 PolarHBondContact O-N 3.5Å; A301-W303 VanDerWaalsContact C-N 3.26Å; A301-W303 PolarHBondContact O-N 3.48Å; A301-N304 PolarHBondContact O-N 2.98Å; A301-L305 WeakPolarHBondContact O-CB 3.49Å; A301-L305 VanDerWaalsContact O-CD1 3.25Å; A301-L305 WeakPolarHBondContact O-CD1 3.43Å; A301-L305 PolarHBondContact O-N 3.27Å
302K49Very low42.5Very low53 Ų5364.1 Ų64.123%0.2331%0.308CS..Hα-helixtrans-50.7-43.4176.7-171179170.8171.60112.5L267 D268 A298 E299 L305 E306L267-K302 HydrophobicContact CD1-CG 4.36Å; L267-K302 HydrophobicContact CD2-CD 4.46Å; L267-K302 HydrophobicContact CD2-CG 3.66Å; L267-K302 HydrophobicContact CG-CG 3.98Å; D268-K302 IonicContact OD1-NZ 2.72Å; D268-K302 PolarHBondContact OD1-NZ 3.5Å; A298-K302 WeakPolarHBondContact O-CB 3.14Å; A298-K302 PolarHBondContact O-N 3.4Å; E299-K302 PolarHBondContact O-N 3.13Å; K302-L305 WeakPolarHBondContact O-CB 3.43Å; K302-L305 PolarHBondContact O-N 2.89Å; K302-E306 WeakPolarHBondContact CE-OE1 3.4Å; K302-E306 WeakPolarHBondContact O-CG 3.37Å; K302-E306 PolarHBondContact O-N 3.28Å
303W46.6Very low42.8Very low84 Ų8461.2 Ų61.232%0.31830%0.295SS..Hα-helixtrans-72.3-42.7179.8-167.892.5000113.4F34 F215 E299 A301 L305 E306 R307F34-W303 HydrophobicContact CE2-CB 4.27Å; F34-W303 AromaticContact CE2-CD1 3.94Å; F34-W303 HydrophobicContact CE2-CD2 4.04Å; F34-W303 AromaticContact CE2-CG 3.83Å; F34-W303 HydrophobicContact CE2-CG 3.83Å; F34-W303 HydrophobicContact CZ-CB 3.8Å; F34-W303 HydrophobicContact CZ-CD2 4.3Å; F34-W303 AromaticContact CZ-CG 3.86Å; F34-W303 HydrophobicContact CZ-CG 3.86Å; F215-W303 HydrophobicContact CD1-CE3 4.4Å; F215-W303 AromaticContact CD1-CH2 3.97Å; F215-W303 HydrophobicContact CD1-CH2 3.97Å; F215-W303 AromaticContact CD1-CZ3 3.56Å; F215-W303 HydrophobicContact CD1-CZ3 3.56Å; F215-W303 HydrophobicContact CE1-CH2 4.4Å; F215-W303 HydrophobicContact CE1-CZ3 4.03Å; E299-W303 VanDerWaalsContact O-CB 3.3Å; E299-W303 WeakPolarHBondContact O-CB 3.41Å; E299-W303 PolarHBondContact O-N 3.43Å; A301-W303 VanDerWaalsContact C-N 3.26Å; A301-W303 PolarHBondContact O-N 3.48Å; W303-L305 PolarHBondContact O-N 3.37Å; W303-E306 PolarHBondContact O-N 3.27Å; W303-R307 WeakPolarHBondContact O-CB 3.42Å; W303-R307 PolarHBondContact O-N 2.97Å
304N48.5Very low43Very low37 Ų3756.4 Ų56.420%0.19828%0.281CS..Hα-helixtrans-58.5-36.8171.7-80.7-28.9000111.2S249 T253 A300 A301 A308S249-N304 PolarHBondContact OG-ND2 3.48Å; T253-N304 HydrophobicContact CG2-CB 4.38Å; A300-N304 WeakPolarHBondContact O-CB 3.26Å; A300-N304 PolarHBondContact O-N 3.35Å; A300-N304 PolarHBondContact O-ND2 3.27Å; A301-N304 PolarHBondContact O-N 2.98Å; N304-A308 WeakPolarHBondContact O-CB 3.26Å; N304-A308 PolarHBondContact O-N 3.41Å
305L52.2Low42.7Very low1 Ų160 Ų601%0.00530%0.303CS..Hα-helixtrans-64.6-60.4172.3-84.6134000110.5T253 I256 A257 M260 L267 A301 K302 W303 R307 A308 L309 W319T253-L305 HydrophobicContact CG2-CD1 3.81Å; T253-L305 HydrophobicContact CG2-CG 3.75Å; I256-L305 HydrophobicContact CB-CD1 3.93Å; I256-L305 HydrophobicContact CD1-CD1 4.3Å; I256-L305 HydrophobicContact CG2-CD1 3.69Å; A257-L305 HydrophobicContact CB-CD2 4.04Å; M260-L305 HydrophobicContact SD-CD2 4.29Å; L267-L305 HydrophobicContact CD1-CB 4.48Å; L267-L305 HydrophobicContact CD1-CD1 4.17Å; A301-L305 WeakPolarHBondContact O-CB 3.49Å; A301-L305 VanDerWaalsContact O-CD1 3.25Å; A301-L305 WeakPolarHBondContact O-CD1 3.43Å; A301-L305 PolarHBondContact O-N 3.27Å; K302-L305 WeakPolarHBondContact O-CB 3.43Å; K302-L305 PolarHBondContact O-N 2.89Å; W303-L305 PolarHBondContact O-N 3.37Å; L305-R307 VanDerWaalsContact C-N 3.29Å; L305-R307 PolarHBondContact O-N 2.66Å; L305-R307 VanDerWaalsContact O-N 3.16Å; L305-A308 PolarHBondContact O-N 3.18Å; L305-A308 VanDerWaalsContact O-N 3.15Å; L305-L309 PolarHBondContact O-N 2.7Å; L305-W319 VanDerWaalsContact C-CZ2 3.41Å; L305-W319 VanDerWaalsContact CA-CZ2 3.42Å; L305-W319 HydrophobicContact CB-CH2 4.29Å; L305-W319 HydrophobicContact CB-CZ2 3.44Å; L305-W319 VanDerWaalsContact CB-CZ2 3.44Å; L305-W319 HydrophobicContact CD2-CD2 4.06Å; L305-W319 HydrophobicContact CD2-CE3 3.96Å; L305-W319 HydrophobicContact CD2-CH2 3.17Å; L305-W319 HydrophobicContact CD2-CZ2 3.2Å; L305-W319 HydrophobicContact CD2-CZ3 3.53Å; L305-W319 HydrophobicContact CG-CH2 4.1Å; L305-W319 HydrophobicContact CG-CZ2 3.75Å; L305-W319 WeakPolarHBondContact O-CZ2 3.15Å; L305-W319 PolarHBondContact O-NE1 3.2Å
306E51.3Low42.9Very low91 Ų9160.8 Ų60.843%0.42532%0.322SS..Hα-helixtrans-52.7-41.3-177.9-75.2172.5178.300113.9L267 K302 W303 C310L267-E306 HydrophobicContact CD2-CG 3.93Å; K302-E306 WeakPolarHBondContact CE-OE1 3.4Å; K302-E306 WeakPolarHBondContact O-CG 3.37Å; K302-E306 PolarHBondContact O-N 3.28Å; W303-E306 PolarHBondContact O-N 3.27Å; E306-C310 PolarHBondContact O-N 2.84Å
307R50.7Low43.2Very low89 Ų8964.5 Ų64.534%0.33633%0.332SS..Hα-helixtrans-72.1-35.5-178.8-166.7178.2-171.3-174.58.8113.8F215 W303 L305 L309 C310F215-R307 PolarHBondContact O-NH1 3.08Å; W303-R307 WeakPolarHBondContact O-CB 3.42Å; W303-R307 PolarHBondContact O-N 2.97Å; L305-R307 VanDerWaalsContact C-N 3.29Å; L305-R307 PolarHBondContact O-N 2.66Å; L305-R307 VanDerWaalsContact O-N 3.16Å; R307-L309 VanDerWaalsContact C-N 3.26Å; R307-L309 PolarHBondContact O-N 2.62Å; R307-C310 PolarHBondContact O-N 3.5Å
308A47.6Very low43.5Very low22 Ų2265.5 Ų65.518%0.18234%0.343CS..Hα-helixtrans-64.4-36.9-177.400000110.3L220 N304 L305L220-A308 HydrophobicContact CB-CB 4.21Å; L220-A308 HydrophobicContact CD1-CB 3.26Å; L220-A308 WeakPolarHBondContact CD1-O 3.35Å; L220-A308 HydrophobicContact CD2-CB 4.43Å; L220-A308 HydrophobicContact CG-CB 3.34Å; N304-A308 WeakPolarHBondContact O-CB 3.26Å; N304-A308 PolarHBondContact O-N 3.41Å; L305-A308 PolarHBondContact O-N 3.18Å; L305-A308 VanDerWaalsContact O-N 3.15Å
309L42.7Very low43.9Very low17 Ų1766.2 Ų66.29%0.08935%0.345CS..Hα-helixtrans-72.6-35.4177.3-72.1-171.5000114.8L220 L305 R307 R311 R312 T313 W319 W322L220-L309 HydrophobicContact CD1-CD2 4.41Å; L220-L309 HydrophobicContact CD2-CD2 4.23Å; L305-L309 PolarHBondContact O-N 2.7Å; R307-L309 VanDerWaalsContact C-N 3.26Å; R307-L309 PolarHBondContact O-N 2.62Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-R312 PolarHBondContact O-N 3.3Å; L309-T313 PolarHBondContact O-N 3.28Å; L309-T313 PolarHBondContact O-OG1 3.11Å; L309-W319 VanDerWaalsContact CD1-CA 3.48Å; L309-W319 HydrophobicContact CD1-CB 3.89Å; L309-W319 HydrophobicContact CD1-CD2 3.33Å; L309-W319 HydrophobicContact CD1-CE3 4.11Å; L309-W319 HydrophobicContact CD1-CG 3.22Å; L309-W319 HydrophobicContact CD1-CZ2 3.9Å; L309-W319 HydrophobicContact CD2-CH2 4.33Å; L309-W319 HydrophobicContact CD2-CZ2 4.23Å; L309-W319 HydrophobicContact CG-CD2 3.98Å; L309-W319 HydrophobicContact CG-CG 4.33Å; L309-W319 HydrophobicContact CG-CH2 4.19Å; L309-W319 HydrophobicContact CG-CZ2 3.6Å; L309-W322 HydrophobicContact CD2-CB 4.47Å
310C38.5Very low44.1Very low63 Ų6366.4 Ų66.443%0.42636%0.357SS..Hα-helixtrans-55-30.7-179.5-163.30000111.9E306 R307 G314E306-C310 PolarHBondContact O-N 2.84Å; R307-C310 PolarHBondContact O-N 3.5Å; C310-G314 PolarHBondContact O-N 2.91Å
311R39.6Very low44.6Very low182 Ų18272.7 Ų72.769%0.68738%0.376SS*.Hα-helixtrans-76.7-17.1178.1-68.2-177.5-179.7-114.94.1115.8L309L309-R311 PolarHBondContact O-N 2.99Å
312R37.9Very low45.4Very low183 Ų18374 Ų7469%0.69138%0.381SS*.Hα-helixtrans-106.2-22.6-176-156.3173176.8178.6-1.9112.8L309L309-R312 PolarHBondContact O-N 3.3Å
313T36.4Very low45.7Very low39 Ų3972.1 Ų72.124%0.23938%0.376CS..Hα-helixtrans-134.92-174.455.40000114.6L309 R317L309-T313 PolarHBondContact O-N 3.28Å; L309-T313 PolarHBondContact O-OG1 3.11Å; T313-R317 HydrophobicContact CG2-CB 4.37Å; T313-R317 PolarHBondContact O-NE 2.85Å; T313-R317 PolarHBondContact O-NH2 2.67Å; T313-R317 WeakPolarHBondContact OG1-CB 3.44Å; T313-R317 PolarHBondContact OG1-O 2.83Å
314G32.2Very low46Very low26 Ų2671.5 Ų71.527%0.26839%0.388SS..  trans69.5176.6-175.300000113.5C310 G316C310-G314 PolarHBondContact O-N 2.91Å; G314-G316 PolarHBondContact O-N 3.41Å
315P30.3Very low46.5Very low123 Ų12372.2 Ų72.280%0.79940%0.396SS*.THydrogen-bonded Turntrans-62.9130.6-171.9-1729.6000111.5
316G38.2Very low46.5Very low83 Ų8377.7 Ų77.786%0.85643%0.432SS*.THydrogen-bonded Turntrans905.8170.200000117.7G314G314-G316 PolarHBondContact O-N 3.41Å
317R42.3Very low46.2Very low127 Ų12777.2 Ų77.248%0.47944%0.444SS..  trans-98.8104.4174.8-78.9-171.9-81.8-114.21.8110.9T313T313-R317 HydrophobicContact CG2-CB 4.37Å; T313-R317 PolarHBondContact O-NE 2.85Å; T313-R317 PolarHBondContact O-NH2 2.67Å; T313-R317 WeakPolarHBondContact OG1-CB 3.44Å; T313-R317 PolarHBondContact OG1-O 2.83Å
318S50Low45.2Very low73 Ų7378 Ų7851%0.5146%0.462SS..  trans-74.4155.4-160.878.70000114.6A320 R321S318-A320 PolarHBondContact O-N 3.21Å; S318-A320 WeakPolarHBondContact OG-CB 3.46Å; S318-A320 PolarHBondContact OG-N 3.36Å; S318-R321 PolarHBondContact O-N 2.89Å
319W50.4Low44.8Very low19 Ų1982.7 Ų82.77%0.07249%0.491CS..Hα-helixtrans-43.9-29.8165.5-8597.9000114L220 L223 M260 L305 L309 R321 W322 A323L220-W319 HydrophobicContact CD2-CH2 3.9Å; L223-W319 HydrophobicContact CD1-CH2 3.79Å; L223-W319 HydrophobicContact CD1-CZ3 4.04Å; M260-W319 HydrophobicContact CE-CB 3.33Å; M260-W319 HydrophobicContact CE-CD2 3.64Å; M260-W319 HydrophobicContact CE-CE3 3.71Å; M260-W319 HydrophobicContact CE-CG 3.47Å; M260-W319 VanDerWaalsContact CE-CG 3.47Å; M260-W319 HydrophobicContact SD-CE3 4.4Å; L305-W319 VanDerWaalsContact C-CZ2 3.41Å; L305-W319 VanDerWaalsContact CA-CZ2 3.42Å; L305-W319 HydrophobicContact CB-CH2 4.29Å; L305-W319 HydrophobicContact CB-CZ2 3.44Å; L305-W319 VanDerWaalsContact CB-CZ2 3.44Å; L305-W319 HydrophobicContact CD2-CD2 4.06Å; L305-W319 HydrophobicContact CD2-CE3 3.96Å; L305-W319 HydrophobicContact CD2-CH2 3.17Å; L305-W319 HydrophobicContact CD2-CZ2 3.2Å; L305-W319 HydrophobicContact CD2-CZ3 3.53Å; L305-W319 HydrophobicContact CG-CH2 4.1Å; L305-W319 HydrophobicContact CG-CZ2 3.75Å; L305-W319 WeakPolarHBondContact O-CZ2 3.15Å; L305-W319 PolarHBondContact O-NE1 3.2Å; L309-W319 VanDerWaalsContact CD1-CA 3.48Å; L309-W319 HydrophobicContact CD1-CB 3.89Å; L309-W319 HydrophobicContact CD1-CD2 3.33Å; L309-W319 HydrophobicContact CD1-CE3 4.11Å; L309-W319 HydrophobicContact CD1-CG 3.22Å; L309-W319 HydrophobicContact CD1-CZ2 3.9Å; L309-W319 HydrophobicContact CD2-CH2 4.33Å; L309-W319 HydrophobicContact CD2-CZ2 4.23Å; L309-W319 HydrophobicContact CG-CD2 3.98Å; L309-W319 HydrophobicContact CG-CG 4.33Å; L309-W319 HydrophobicContact CG-CH2 4.19Å; L309-W319 HydrophobicContact CG-CZ2 3.6Å; W319-R321 PolarHBondContact O-N 2.85Å; W319-W322 AromaticContact CE3-CE3 3.92Å; W319-W322 HydrophobicContact CE3-CE3 3.92Å; W319-W322 HydrophobicContact CE3-CZ3 4.44Å; W319-W322 HydrophobicContact CZ3-CD2 4.28Å; W319-W322 AromaticContact CZ3-CE3 3.7Å; W319-W322 HydrophobicContact CZ3-CE3 3.7Å; W319-W322 HydrophobicContact CZ3-CZ3 4.01Å; W319-W322 PolarHBondContact O-N 2.96Å; W319-A323 VanDerWaalsContact O-CB 3.3Å; W319-A323 WeakPolarHBondContact O-CB 3.37Å; W319-A323 PolarHBondContact O-N 2.93Å
320A49.4Very low44.2Very low63 Ų6386.3 Ų86.352%0.52152%0.523SS..Hα-helixtrans-57.4-31.3175.500000111.8S318 A324S318-A320 PolarHBondContact O-N 3.21Å; S318-A320 WeakPolarHBondContact OG-CB 3.46Å; S318-A320 PolarHBondContact OG-N 3.36Å; A320-A324 WeakPolarHBondContact O-CA 3.46Å; A320-A324 WeakPolarHBondContact O-CB 3.28Å; A320-A324 PolarHBondContact O-N 2.81Å
321R55.1Low43.8Very low151 Ų15187 Ų8757%0.5753%0.533SS*.Hα-helixtrans-75-40.4177.6-165.6-179.1-64.5-167.4-2.3112.8S318 W319 S325S318-R321 PolarHBondContact O-N 2.89Å; W319-R321 PolarHBondContact O-N 2.85Å; R321-S325 WeakPolarHBondContact O-CB 3.41Å; R321-S325 PolarHBondContact O-N 3.27Å; R321-S325 PolarHBondContact O-OG 2.86Å
322W63.7Low43.4Very low29 Ų2989 Ų8911%0.1154%0.541CS..Hα-helixtrans-69.3-40.8173.817682.9000110.7L223 D224 V227 K261 L309 W319 S325L223-W322 HydrophobicContact CB-CH2 3.9Å; L223-W322 HydrophobicContact CB-CZ2 3.69Å; L223-W322 HydrophobicContact CD1-CH2 4.36Å; L223-W322 HydrophobicContact CD1-CZ2 4.46Å; D224-W322 WeakPolarHBondContact OD1-CZ2 3.32Å; D224-W322 PolarHBondContact OD1-NE1 3.32Å; V227-W322 HydrophobicContact CG2-CH2 4.4Å; K261-W322 HydrophobicContact CB-CH2 4.26Å; K261-W322 HydrophobicContact CB-CZ3 3.99Å; K261-W322 HydrophobicContact CD-CE3 4.39Å; K261-W322 HydrophobicContact CD-CH2 4.25Å; K261-W322 HydrophobicContact CD-CZ3 4.05Å; K261-W322 HydrophobicContact CG-CH2 4.32Å; K261-W322 HydrophobicContact CG-CZ3 4.33Å; K261-W322 PolarHBondContact NZ-O 3.09Å; L309-W322 HydrophobicContact CD2-CB 4.47Å; W319-W322 AromaticContact CE3-CE3 3.92Å; W319-W322 HydrophobicContact CE3-CE3 3.92Å; W319-W322 HydrophobicContact CE3-CZ3 4.44Å; W319-W322 HydrophobicContact CZ3-CD2 4.28Å; W319-W322 AromaticContact CZ3-CE3 3.7Å; W319-W322 HydrophobicContact CZ3-CE3 3.7Å; W319-W322 HydrophobicContact CZ3-CZ3 4.01Å; W319-W322 PolarHBondContact O-N 2.96Å; W322-S325 PolarHBondContact O-N 2.95Å
323A56Low43Very low13 Ų1392.6 Ų92.611%0.10756%0.555CS.*Hα-helixtrans-60-46.2173.100000111.5K261 W319 S325K261-A323 WeakPolarHBondContact CD-O 3.48Å; K261-A323 PolarHBondContact NZ-O 3.03Å; W319-A323 VanDerWaalsContact O-CB 3.3Å; W319-A323 WeakPolarHBondContact O-CB 3.37Å; W319-A323 PolarHBondContact O-N 2.93Å; A323-S325 VanDerWaalsContact C-N 3.33Å; A323-S325 PolarHBondContact O-N 3Å
324A54.1Low42.6Very low71 Ų7195.5 Ų95.559%0.58758%0.576SS**Hα-helixtrans-78.6-8.9177.900000114.6A320 P326A320-A324 WeakPolarHBondContact O-CA 3.46Å; A320-A324 WeakPolarHBondContact O-CB 3.28Å; A320-A324 PolarHBondContact O-N 2.81Å; A324-P326 WeakPolarHBondContact O-CD 3.4Å
325S58.3Low42.5Very low52 Ų5299.7 Ų99.736%0.36460%0.602SS.*SBendtrans-67.3125.4178.9-71.70000109.7K261 R321 W322 A323 A327K261-S325 PolarHBondContact NZ-O 3.1Å; R321-S325 WeakPolarHBondContact O-CB 3.41Å; R321-S325 PolarHBondContact O-N 3.27Å; R321-S325 PolarHBondContact O-OG 2.86Å; W322-S325 PolarHBondContact O-N 2.95Å; A323-S325 VanDerWaalsContact C-N 3.33Å; A323-S325 PolarHBondContact O-N 3Å; S325-A327 PolarHBondContact O-N 3.19Å
326P51.9Low42.5Very low116 Ų116106.3 Ų106.375%0.75361%0.611SS**  trans-68.3105.8172.126.7-30000107.8A324 S328A324-P326 WeakPolarHBondContact O-CD 3.4Å; P326-S328 PolarHBondContact O-N 3.45Å
327A44.5Very low41.9Very low81 Ų81107 Ų10767%0.66960%0.603SS**  trans-66.9112.4160.600000106.1S325S325-A327 PolarHBondContact O-N 3.19Å
328S30.9Very low41Very low104 Ų104108.5 Ų108.573%0.72762%0.619SS**  trans-108.2152.6-179.6-138.80000108.8P326P326-S328 PolarHBondContact O-N 3.45Å
329P39.2Very low39.9Very low121 Ų121113.8 Ų113.879%0.78664%0.636SS**SBendcis-121.3142.826.220.23.1000117.9
330A30.1Very low38.7Very low93 Ų93122.2 Ų122.277%0.76967%0.673SS**SBendtrans50.788.5140.400000118.8
331A28.6Very low37.4Very low77 Ų77125.8 Ų125.864%0.63669%0.688SS**  trans17446144.900000113.3
332W32.9Very low36Very low226 Ų226123.8 Ų123.886%0.85670%0.698SS**  trans-137.934.7-176.1-61.189.6000114.8
333R28.1Very low34Very low258 Ų258127.3 Ų127.397%0.97473%0.727SS**  trans-110.373.7155.5-72.6-173.8-147.1-103.5-0.6109.6
334S29.4Very low32.5Very low99 Ų99133.8 Ų133.869%0.69276%0.759SS**  trans-173.987168.6170.80000102.8
335S28.4Very low31.1Very low114 Ų114137.6 Ų137.680%0.79777%0.769SS**  -155.5106.271.5-60.10000109.9
336R30.4Very low29.4Very low262 Ų262142 Ų14299%0.98979%0.788SS**  trans-112.693149.3-81.8-170.8-167.3-146.33.1106
337S25.3Very low28.1Very low99 Ų99142 Ų14269%0.69279%0.785SS**  trans-139.5135.1161.1-171.60000106.5
338L25.3Very low27.2Very low157 Ų157144 Ų14482%0.82279%0.789SS**SBendtrans79.7108.3-179.2-52.3156.7000111.9
339E25.1Very low26.9Very low184 Ų184146.3 Ų146.386%0.8679%0.792SS**  cis-145.6140.121.9-69.4177.8138.100111.8
340K25.7Very low26.1Very low197 Ų197149.5 Ų149.586%0.85779%0.794SS**  trans-75.9146.5163.4-70.9169.4172.7175.70108.7
341T23.5Very low26Very low137 Ų137150.9 Ų150.984%0.8480%0.795SS**  trans152114137.848.30000105.8
342S24.3Very low26Very low109 Ų109152.3 Ų152.376%0.76280%0.796SS**  cis-150.5129.442.6-63.10000108.8
343S23.2Very low25.9Very low104 Ų104150.6 Ų150.673%0.72780%0.797SS**  52.699.785.8-145.40000110.8
344L23.5Very low26.1Very low148 Ų148147.4 Ų147.478%0.77579%0.79SS**  171.9141.184.5-81.8148.5000104.2
345L24.6Very low26.4Very low152 Ų152156.2 Ų156.280%0.79682%0.816SS**  cis-160.7146.336.5-100.5127.3000111
346L23.1Very low26.3Very low145 Ų145158.3 Ų158.376%0.75982%0.817SS**  trans-15132.9158.9-89.165.2000118.9
347T24Very low26.1Very low115 Ų115152.8 Ų152.871%0.70681%0.808SS**  80.5127.688.2-49.10000111.9
348V25.6Very low26.1Very low122 Ų122155.8 Ų155.874%0.73981%0.814SS**  -173.6119.9109.41510000111.1
349L24.2Very low26.2Very low153 Ų153155.8 Ų155.880%0.80181%0.814SS**  trans65.4112.9137.7-58.6174.7000122.3
350F22.4Very low26.2Very low189 Ų189154 Ų15483%0.82981%0.811SS**  trans-62.3151.8136.4-91.5-92.6000109.9
351P28.6Very low26.3Very low122 Ų122151.1 Ų151.179%0.79281%0.808SS**  -138.1140.9101.631.5-15.7000114.7
352V29.6Very low26.5Very low107 Ų107152.1 Ų152.165%0.64881%0.805SS**  trans-31.7134.7150173.40000112.4
353H29.3Very low26.6Very low189 Ų189155.5 Ų155.588%0.87581%0.809SS**  -155.1138.8129.1-108.133.9000113.9
354K33.8Very low26.9Very low191 Ų191159.8 Ų159.883%0.8382%0.815SS**  trans-67.5137.1175.8-68.2170.7168.7174.70110.6
355K34.5Very low27.2Very low284 Ų284160.8 Ų160.8100%1.23582%0.819SS**  -165.70110.1-104.5-178-178.5-178.10109.6

Retrieved 355 of 355 residues in 1413.9 ms (Link to these results)

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