G4VFW7_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession G4VFW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 455 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
1M57.7Low64.9Low191 Ų191100.5 Ų100.594%0.94155%0.545SS*.  0-60.10-152.7178.3-75.600110.9A3 L4 I5M1-A3 PolarHBondContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-L4 VanDerWaalsContact O-N 3.07Å; M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 PolarHBondContact O-N 3.06Å; M1-I5 VanDerWaalsContact O-N 3.11Å
2K69.4Low64.4Low165 Ų165100.9 Ų100.972%0.71755%0.553SS**Hα-helixtrans-52.4-47175.6-64.5-174.4177.8-176.50113.8L4 I5 Y6K2-L4 VanDerWaalsContact C-N 3.29Å; K2-L4 PolarHBondContact O-N 3.25Å; K2-I5 PolarHBondContact O-N 3.23Å; K2-I5 VanDerWaalsContact O-N 3.13Å; K2-Y6 HydrophobicContact CB-CD2 4.4Å; K2-Y6 HydrophobicContact CB-CE2 4.27Å; K2-Y6 WeakPolarHBondContact O-CD2 3.17Å; K2-Y6 PolarHBondContact O-N 2.91Å
3A66.9Low63.9Low79 Ų79100.7 Ų100.765%0.65356%0.557SS**Hα-helixtrans-61-32.917800000114.4M1 A7M1-A3 PolarHBondContact O-N 3.1Å; A3-A7 WeakPolarHBondContact O-CB 3.03Å; A3-A7 PolarHBondContact O-N 3Å
4L63Low63.1Low88 Ų88102.4 Ų102.446%0.46156%0.563SS.*Hα-helixtrans-72.4-40175.1-92161.4000111.1M1 K2 A7 L8 I179M1-L4 PolarHBondContact O-N 3.23Å; M1-L4 VanDerWaalsContact O-N 3.07Å; K2-L4 VanDerWaalsContact C-N 3.29Å; K2-L4 PolarHBondContact O-N 3.25Å; L4-A7 PolarHBondContact O-N 2.66Å; L4-L8 WeakPolarHBondContact O-CB 3.36Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.25Å; L4-I179 HydrophobicContact CD2-CG2 4.03Å
5I70.4Confident62.4Low88 Ų88104.9 Ų104.945%0.45158%0.576SS.*Hα-helixtrans-63.5-43.7175.9-63.9166.9000110.1M1 K2 L8 L9M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 PolarHBondContact O-N 3.06Å; M1-I5 VanDerWaalsContact O-N 3.11Å; K2-I5 PolarHBondContact O-N 3.23Å; K2-I5 VanDerWaalsContact O-N 3.13Å; I5-L8 PolarHBondContact O-N 3.05Å; I5-L9 HydrophobicContact CG2-CD1 3.78Å; I5-L9 HydrophobicContact CG2-CG 4.33Å; I5-L9 WeakPolarHBondContact O-CB 3.04Å; I5-L9 VanDerWaalsContact O-CG 3.25Å; I5-L9 WeakPolarHBondContact O-CG 3.48Å; I5-L9 PolarHBondContact O-N 2.88Å
6Y70.9Confident61.4Low164 Ų164101.9 Ų101.964%0.64357%0.57SS**Hα-helixtrans-65.4-40175.6-75.6-66.4000112.8K2 L9 A10K2-Y6 HydrophobicContact CB-CD2 4.4Å; K2-Y6 HydrophobicContact CB-CE2 4.27Å; K2-Y6 WeakPolarHBondContact O-CD2 3.17Å; K2-Y6 PolarHBondContact O-N 2.91Å; Y6-L9 PolarHBondContact O-N 3.42Å; Y6-A10 WeakPolarHBondContact O-CB 3.32Å; Y6-A10 PolarHBondContact O-N 3.07Å
7A63.3Low60.4Low51 Ų51105.5 Ų105.542%0.42159%0.587SS.*Hα-helixtrans-64.8-41175.800000111.9A3 L4 A10 C11A3-A7 WeakPolarHBondContact O-CB 3.03Å; A3-A7 PolarHBondContact O-N 3Å; L4-A7 PolarHBondContact O-N 2.66Å; A7-A10 PolarHBondContact O-N 2.65Å; A7-C11 WeakPolarHBondContact O-CB 3.44Å; A7-C11 PolarHBondContact O-N 2.82Å; A7-C11 PolarHBondContact O-SG 3.13Å; A7-C11 VanDerWaalsContact O-SG 3.33Å
8L63.7Low59.8Low59 Ų59105.2 Ų105.231%0.30959%0.588SS.*Hα-helixtrans-67.8-42.6176.6-70.6171.8000112.3L4 I5 C11 V12 C176L4-L8 WeakPolarHBondContact O-CB 3.36Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.25Å; I5-L8 PolarHBondContact O-N 3.05Å; L8-C11 PolarHBondContact O-N 3.03Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 2.8Å; L8-V12 VanDerWaalsContact O-N 3.15Å; L8-C176 WeakPolarHBondContact CD1-SG 3.47Å; L8-C176 HydrophobicContact CD2-CB 3.56Å; L8-C176 WeakPolarHBondContact CD2-SG 3.37Å
9L65.5Low59.2Low97 Ų97101.4 Ų101.451%0.50857%0.569SS.*Hα-helixtrans-64.7-43174.9-72.7171.1000111.1I5 Y6 C11 V12 T13I5-L9 HydrophobicContact CG2-CD1 3.78Å; I5-L9 HydrophobicContact CG2-CG 4.33Å; I5-L9 WeakPolarHBondContact O-CB 3.04Å; I5-L9 VanDerWaalsContact O-CG 3.25Å; I5-L9 WeakPolarHBondContact O-CG 3.48Å; I5-L9 PolarHBondContact O-N 2.88Å; Y6-L9 PolarHBondContact O-N 3.42Å; L9-C11 PolarHBondContact O-N 2.89Å; L9-V12 PolarHBondContact O-N 2.82Å; L9-V12 VanDerWaalsContact O-N 3.08Å; L9-T13 WeakPolarHBondContact O-CG2 3.48Å; L9-T13 PolarHBondContact O-N 3.27Å; L9-T13 PolarHBondContact O-OG1 3.47Å; L9-T13 VanDerWaalsContact O-OG1 3.09Å
10A63Low58.9Low40 Ų4096.5 Ų96.533%0.33154%0.542SS..Hα-helixtrans-60.6-43.417600000111.7Y6 A7 V12 T13 L14Y6-A10 WeakPolarHBondContact O-CB 3.32Å; Y6-A10 PolarHBondContact O-N 3.07Å; A7-A10 PolarHBondContact O-N 2.65Å; A10-V12 PolarHBondContact O-N 2.75Å; A10-T13 WeakPolarHBondContact CA-OG1 3.27Å; A10-T13 PolarHBondContact O-N 3.3Å; A10-T13 PolarHBondContact O-OG1 3.46Å; A10-L14 HydrophobicContact CB-CD1 4.3Å; A10-L14 VanDerWaalsContact O-CB 3.29Å; A10-L14 WeakPolarHBondContact O-CB 3.12Å; A10-L14 VanDerWaalsContact O-CD1 3.3Å; A10-L14 WeakPolarHBondContact O-CD1 3.33Å; A10-L14 WeakPolarHBondContact O-CG 3.1Å; A10-L14 PolarHBondContact O-N 2.9Å
11C60.2Low59.9Low83 Ų8394.2 Ų94.256%0.56153%0.531SS*.Hα-helixtrans-63.6-26.4174.9-74.60000113.7A7 L8 L9A7-C11 WeakPolarHBondContact O-CB 3.44Å; A7-C11 PolarHBondContact O-N 2.82Å; A7-C11 PolarHBondContact O-SG 3.13Å; A7-C11 VanDerWaalsContact O-SG 3.33Å; L8-C11 PolarHBondContact O-N 3.03Å; L9-C11 PolarHBondContact O-N 2.89Å
12V59.2Low61.3Low106 Ų10685.1 Ų85.164%0.64249%0.486SS*.Hα-helixtrans-84.4-29.4177.11730000111.7L8 L9 A10L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 2.8Å; L8-V12 VanDerWaalsContact O-N 3.15Å; L9-V12 PolarHBondContact O-N 2.82Å; L9-V12 VanDerWaalsContact O-N 3.08Å; A10-V12 PolarHBondContact O-N 2.75Å
13T57.2Low62.2Low98 Ų9878 Ų7860%0.60146%0.456SS*.Hα-helixtrans-91-16.2-177.156.30000114.4L9 A10 D15L9-T13 WeakPolarHBondContact O-CG2 3.48Å; L9-T13 PolarHBondContact O-N 3.27Å; L9-T13 PolarHBondContact O-OG1 3.47Å; L9-T13 VanDerWaalsContact O-OG1 3.09Å; A10-T13 WeakPolarHBondContact CA-OG1 3.27Å; A10-T13 PolarHBondContact O-N 3.3Å; A10-T13 PolarHBondContact O-OG1 3.46Å; T13-D15 PolarHBondContact O-N 3.19Å
14L53.7Low63.3Low124 Ų12474.2 Ų74.265%0.64943%0.425SS*.THydrogen-bonded Turntrans-77.2-12.2-168-84.3165.6000116A10A10-L14 HydrophobicContact CB-CD1 4.3Å; A10-L14 VanDerWaalsContact O-CB 3.29Å; A10-L14 WeakPolarHBondContact O-CB 3.12Å; A10-L14 VanDerWaalsContact O-CD1 3.3Å; A10-L14 WeakPolarHBondContact O-CD1 3.33Å; A10-L14 WeakPolarHBondContact O-CG 3.1Å; A10-L14 PolarHBondContact O-N 2.9Å
15D51.3Low64.6Low140 Ų14072 Ų7275%0.74941%0.411SS*.THydrogen-bonded Turntrans-136.132.1-174.4-71.9-42.8000114.6T13T13-D15 PolarHBondContact O-N 3.19Å
16A46.5Very low65.4Low58 Ų5868.7 Ų68.748%0.47939%0.394SS..  trans-86.6-11.6-175.500000115.8V18A16-V18 PolarHBondContact O-N 2.48Å
17D45.1Very low66Low162 Ų16264.4 Ų64.487%0.86638%0.382SS*.  trans-96.887.2175.5-72.9-25.1000109
18V48.9Very low67Low100 Ų10067 Ų6761%0.60640%0.397SS*.  trans-124.6104.3170.6-173.80000108.3A16A16-V18 PolarHBondContact O-N 2.48Å
19S48.3Very low68Low33 Ų3367.3 Ų67.323%0.23140%0.404CS..  trans-68.8167.6177.1-54.40000111.8E37 D38S19-E37 WeakPolarHBondContact CB-OE1 3.12Å; S19-E37 PolarHBondContact OG-OE1 3.46Å; S19-D38 WeakPolarHBondContact CB-O 3.25Å
20A54.6Low68.7Low3 Ų372 Ų723%0.02542%0.415CS..EExtended strand (participates in β ladder)trans-6415817700000109.8D38 T161A20-D38 WeakPolarHBondContact CA-O 3.4Å; A20-D38 WeakPolarHBondContact CA-OD1 3.49Å; A20-D38 HydrophobicContact CB-CB 4.33Å; A20-D38 VanDerWaalsContact CB-O 3.25Å; A20-D38 WeakPolarHBondContact CB-O 3.1Å; A20-D38 WeakPolarHBondContact CB-OD1 3.44Å; A20-D38 WeakPolarHBondContact CB-OD2 3.29Å; A20-D38 PolarHBondContact N-O 2.84Å; A20-D38 PolarHBondContact O-N 2.86Å; A20-T161 HydrophobicContact CB-CG2 3.32Å
21V79.5Confident69.6Low50 Ų5073.8 Ų73.830%0.30342%0.422SS..EExtended strand (participates in β ladder)trans-119.9120176.2-1750000110.5L23 E35 F36 D38 L159V21-L23 HydrophobicContact CG1-CD2 3.54Å; V21-L23 HydrophobicContact CG1-CG 4.04Å; V21-E35 HydrophobicContact CG1-CB 4.11Å; V21-F36 WeakPolarHBondContact CA-O 3.44Å; V21-D38 WeakPolarHBondContact CA-OD1 3.14Å; V21-D38 PolarHBondContact N-OD1 3.33Å; V21-L159 PolarHBondContact O-N 3.37Å
22L87.4Confident70.5Confident0 Ų072.7 Ų72.70%042%0.416CS..EExtended strand (participates in β ladder)trans-95.8114.1169.5-176.1154.6000108.4V24 F36 D38 V110 V135 V137 L145 V156 I158L22-V24 HydrophobicContact CD2-CG2 4.35Å; L22-F36 HydrophobicContact CB-CB 4.26Å; L22-F36 HydrophobicContact CD2-CB 4.43Å; L22-F36 HydrophobicContact CD2-CD2 3.6Å; L22-F36 HydrophobicContact CD2-CE2 4.38Å; L22-F36 HydrophobicContact CD2-CG 4.46Å; L22-F36 PolarHBondContact N-O 3.34Å; L22-F36 PolarHBondContact O-N 3.49Å; L22-D38 HydrophobicContact CB-CB 4.47Å; L22-D38 PolarHBondContact N-OD1 2.8Å; L22-V110 HydrophobicContact CD1-CB 4.41Å; L22-V110 HydrophobicContact CD1-CG1 3.85Å; L22-V110 HydrophobicContact CD1-CG2 3.6Å; L22-V135 HydrophobicContact CD1-CG2 4.23Å; L22-V137 HydrophobicContact CD1-CG1 4.16Å; L22-L145 HydrophobicContact CD2-CD1 4.44Å; L22-L145 HydrophobicContact CD2-CD2 4.38Å; L22-V156 HydrophobicContact CD1-CG1 3.89Å; L22-V156 HydrophobicContact CD2-CG1 3.48Å; L22-V156 VanDerWaalsContact CD2-CG1 3.48Å; L22-V156 HydrophobicContact CD2-CG2 4.27Å; L22-V156 HydrophobicContact CG-CG1 3.45Å; L22-V156 VanDerWaalsContact CG-CG1 3.45Å; L22-I158 HydrophobicContact CD1-CG1 4.42Å
23L88.6Confident71.7Confident15 Ų1570.3 Ų70.38%0.07940%0.401CS..EExtended strand (participates in β ladder)trans-99.4130.5-178.7-62.6179.5000111.1V21 E35 V156 E157 L159V21-L23 HydrophobicContact CG1-CD2 3.54Å; V21-L23 HydrophobicContact CG1-CG 4.04Å; L23-E35 HydrophobicContact CD2-CB 3.7Å; L23-E35 VanDerWaalsContact CD2-CD 3.44Å; L23-E35 HydrophobicContact CD2-CG 3.35Å; L23-E35 WeakPolarHBondContact CD2-OE1 3.49Å; L23-V156 CarbonylContact O-C 3.52Å; L23-V156 VanDerWaalsContact O-CA 3.32Å; L23-V156 WeakPolarHBondContact O-CA 3.35Å; L23-E157 HydrophobicContact CB-CB 4.33Å; L23-E157 PolarHBondContact N-O 3.36Å; L23-E157 PolarHBondContact O-N 2.94Å; L23-L159 HydrophobicContact CD1-CD1 3.41Å; L23-L159 VanDerWaalsContact CD1-CD1 3.41Å; L23-L159 HydrophobicContact CD1-CG 4.26Å; L23-L159 HydrophobicContact CG-CD1 4.05Å
24V89.9Confident73.1Confident0 Ų068.8 Ų68.80%039%0.387CS..EExtended strand (participates in β ladder)trans-96.2128167176.50000109.5L22 S32 V33 E34 F36 L145 Y149 Y154 V156L22-V24 HydrophobicContact CD2-CG2 4.35Å; V24-S32 WeakPolarHBondContact O-CA 3.38Å; V24-V33 PolarHBondContact O-N 3.04Å; V24-E34 HydrophobicContact CB-CB 4.38Å; V24-E34 PolarHBondContact N-O 3.37Å; V24-E34 PolarHBondContact O-N 2.8Å; V24-F36 HydrophobicContact CG2-CD2 4.13Å; V24-F36 HydrophobicContact CG2-CE2 3.55Å; V24-L145 HydrophobicContact CG2-CD2 3.78Å; V24-Y149 HydrophobicContact CG1-CD1 3.67Å; V24-Y149 HydrophobicContact CG1-CD2 4.39Å; V24-Y149 HydrophobicContact CG1-CE1 4.09Å; V24-Y149 HydrophobicContact CG1-CG 3.85Å; V24-Y149 HydrophobicContact CG2-CD2 4.26Å; V24-Y149 HydrophobicContact CG2-CG 4.31Å; V24-Y154 HydrophobicContact CG1-CD1 4Å; V24-Y154 HydrophobicContact CG1-CG 4.21Å; V24-V156 HydrophobicContact CG2-CG2 4.14Å
25K88.6Confident74.8Confident40 Ų4069 Ų6917%0.17438%0.384CS..EExtended strand (participates in β ladder)trans-122.8144.8178.1-70-179.9175.8177.40111.3T31 Y154 F155 E157K25-T31 VanDerWaalsContact CA-O 3.27Å; K25-T31 WeakPolarHBondContact CA-O 3.05Å; K25-Y154 WeakPolarHBondContact O-CA 3.28Å; K25-F155 HydrophobicContact CB-CD1 4.3Å; K25-F155 HydrophobicContact CB-CD2 4.04Å; K25-F155 HydrophobicContact CB-CE1 3.71Å; K25-F155 HydrophobicContact CB-CE2 3.42Å; K25-F155 VanDerWaalsContact CB-CE2 3.42Å; K25-F155 HydrophobicContact CB-CG 4.46Å; K25-F155 HydrophobicContact CB-CZ 3.26Å; K25-F155 HydrophobicContact CD-CE2 3.71Å; K25-F155 HydrophobicContact CD-CZ 3.88Å; K25-F155 HydrophobicContact CG-CE2 4.08Å; K25-F155 HydrophobicContact CG-CZ 4.17Å; K25-F155 PolarHBondContact N-O 3Å; K25-F155 WeakPolarHBondContact O-CD1 3.49Å; K25-F155 PolarHBondContact O-N 2.79Å; K25-E157 WeakPolarHBondContact CD-OE2 3.44Å; K25-E157 VanDerWaalsContact CE-OE2 3.27Å; K25-E157 WeakPolarHBondContact CE-OE2 3.43Å; K25-E157 IonicContact NZ-OE1 3.35Å; K25-E157 IonicContact NZ-OE2 3.2Å; K25-E157 PolarHBondContact NZ-OE2 3.3Å
26D87.2Confident76.6Confident19 Ų1962.7 Ų62.710%0.10235%0.35CS..EExtended strand (participates in β ladder)trans-80133.5172.8-169.6-58.4000109.9S28 R30 T31 V33 R153 Y154D26-S28 PolarHBondContact O-N 2.84Å; D26-S28 WeakPolarHBondContact OD1-CA 3.31Å; D26-S28 WeakPolarHBondContact OD1-CB 3.35Å; D26-S28 PolarHBondContact OD1-N 3.39Å; D26-S28 PolarHBondContact OD1-OG 2.97Å; D26-R30 WeakPolarHBondContact O-CA 3.42Å; D26-R30 PolarHBondContact O-N 3.03Å; D26-T31 PolarHBondContact N-O 3.3Å; D26-V33 HydrophobicContact CB-CG2 3.97Å; D26-R153 VanDerWaalsContact OD2-CD 3.25Å; D26-R153 WeakPolarHBondContact OD2-CD 3.48Å; D26-Y154 HydrophobicContact CB-CD1 4.36Å; D26-Y154 HydrophobicContact CB-CE1 4.22Å
27L83.5Confident78.5Confident75 Ų7565.2 Ų65.239%0.39335%0.353SS..THydrogen-bonded Turntrans-61.5-30.2179.8-167.967.3000113.3L81 R153 F155L27-L81 HydrophobicContact CD1-CD1 4.17Å; L27-R153 WeakPolarHBondContact CB-O 3.49Å; L27-R153 PolarHBondContact N-O 3.37Å; L27-F155 HydrophobicContact CB-CD1 4.34Å; L27-F155 HydrophobicContact CD1-CD1 3.96Å; L27-F155 HydrophobicContact CD1-CE1 4.23Å
28S84.9Confident80.6Confident105 Ų10557.5 Ų57.573%0.73431%0.311SS*.THydrogen-bonded Turntrans-79.7-47-174.1-34.30000111.6D26D26-S28 PolarHBondContact O-N 2.84Å; D26-S28 WeakPolarHBondContact OD1-CA 3.31Å; D26-S28 WeakPolarHBondContact OD1-CB 3.35Å; D26-S28 PolarHBondContact OD1-N 3.39Å; D26-S28 PolarHBondContact OD1-OG 2.97Å
29S85.1Confident82.5Confident66 Ų6653.5 Ų53.546%0.46229%0.287SS..THydrogen-bonded Turntrans-96.1-18.7-177.562.20000113.5T31S29-T31 PolarHBondContact O-N 2.97Å; S29-T31 VanDerWaalsContact O-N 3.09Å; S29-T31 PolarHBondContact OG-N 3.3Å; S29-T31 PolarHBondContact OG-OG1 2.83Å
30R79.5Confident84.5Confident196 Ų19654.1 Ų54.174%0.7429%0.287SS*.  trans53.917.2-168.5-62.3-175.9176.3180-1.7114.2D26D26-R30 WeakPolarHBondContact O-CA 3.42Å; D26-R30 PolarHBondContact O-N 3.03Å
31T82.1Confident86.2Confident76 Ų7654.4 Ų54.447%0.46629%0.289SS..  trans-83.4145176.256.50000109.8K25 D26 S29 V33K25-T31 VanDerWaalsContact CA-O 3.27Å; K25-T31 WeakPolarHBondContact CA-O 3.05Å; D26-T31 PolarHBondContact N-O 3.3Å; S29-T31 PolarHBondContact O-N 2.97Å; S29-T31 VanDerWaalsContact O-N 3.09Å; S29-T31 PolarHBondContact OG-N 3.3Å; S29-T31 PolarHBondContact OG-OG1 2.83Å; T31-V33 PolarHBondContact O-N 2.88Å
32S78.9Confident86.7Confident61 Ų6157.6 Ų57.643%0.42730%0.304SS..EExtended strand (participates in β ladder)trans-63.2132.7165.744.90000109V24V24-S32 WeakPolarHBondContact O-CA 3.38Å
33V85.3Confident86.8Confident55 Ų5558.5 Ų58.533%0.33331%0.308SS..EExtended strand (participates in β ladder)trans-106.6-39.9178.8-176.80000109.4V24 D26 T31 Y149 Y154V24-V33 PolarHBondContact O-N 3.04Å; D26-V33 HydrophobicContact CB-CG2 3.97Å; T31-V33 PolarHBondContact O-N 2.88Å; V33-Y149 HydrophobicContact CG1-CE1 4.34Å; V33-Y154 HydrophobicContact CG2-CE1 4.29Å
34E87.1Confident86.7Confident67 Ų6759.2 Ų59.231%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-142.4155.4174.7-58.9-68.2174.800110.2V24 F36 K148 Y149V24-E34 HydrophobicContact CB-CB 4.38Å; V24-E34 PolarHBondContact N-O 3.37Å; V24-E34 PolarHBondContact O-N 2.8Å; E34-F36 HydrophobicContact CB-CE2 3.99Å; E34-F36 HydrophobicContact CB-CZ 3.96Å; E34-F36 HydrophobicContact CG-CZ 4.41Å; E34-K148 IonicContact OE1-NZ 3.1Å; E34-Y149 HydrophobicContact CB-CE2 4.31Å; E34-Y149 HydrophobicContact CG-CE1 4.49Å; E34-Y149 HydrophobicContact CG-CE2 3.56Å; E34-Y149 VanDerWaalsContact CG-CZ 3.41Å; E34-Y149 WeakPolarHBondContact CG-OH 3.24Å; E34-Y149 PolarHBondContact OE1-OH 3.42Å
35E88.4Confident86.6Confident127 Ų12766.2 Ų66.259%0.59335%0.346SS*.EExtended strand (participates in β ladder)trans-128.4130.5174.5-43.8-162.1157.600107.7V21 L23V21-E35 HydrophobicContact CG1-CB 4.11Å; L23-E35 HydrophobicContact CD2-CB 3.7Å; L23-E35 VanDerWaalsContact CD2-CD 3.44Å; L23-E35 HydrophobicContact CD2-CG 3.35Å; L23-E35 WeakPolarHBondContact CD2-OE1 3.49Å
36F88.9Confident86.3Confident8 Ų867.3 Ų67.34%0.03536%0.362CS..EExtended strand (participates in β ladder)trans-118.6141.9-178.2-60.9-68.9000110.5V21 L22 V24 E34 D141 L144 L145 Y149V21-F36 WeakPolarHBondContact CA-O 3.44Å; L22-F36 HydrophobicContact CB-CB 4.26Å; L22-F36 HydrophobicContact CD2-CB 4.43Å; L22-F36 HydrophobicContact CD2-CD2 3.6Å; L22-F36 HydrophobicContact CD2-CE2 4.38Å; L22-F36 HydrophobicContact CD2-CG 4.46Å; L22-F36 PolarHBondContact N-O 3.34Å; L22-F36 PolarHBondContact O-N 3.49Å; V24-F36 HydrophobicContact CG2-CD2 4.13Å; V24-F36 HydrophobicContact CG2-CE2 3.55Å; E34-F36 HydrophobicContact CB-CE2 3.99Å; E34-F36 HydrophobicContact CB-CZ 3.96Å; E34-F36 HydrophobicContact CG-CZ 4.41Å; F36-D141 HydrophobicContact CB-CB 4.46Å; F36-D141 HydrophobicContact CD1-CB 3.44Å; F36-D141 VanDerWaalsContact CD1-CB 3.44Å; F36-D141 WeakPolarHBondContact CD1-OD1 3.48Å; F36-D141 HydrophobicContact CE1-CB 3.81Å; F36-D141 HydrophobicContact CG-CB 4.15Å; F36-L144 HydrophobicContact CE1-CB 4.49Å; F36-L144 HydrophobicContact CE1-CD2 3.89Å; F36-L144 HydrophobicContact CZ-CB 4.38Å; F36-L144 HydrophobicContact CZ-CD2 3.82Å; F36-L144 HydrophobicContact CZ-CG 4.31Å; F36-L145 HydrophobicContact CD2-CD2 4.24Å; F36-L145 HydrophobicContact CD2-CG 4.5Å; F36-L145 HydrophobicContact CE2-CD2 3.6Å; F36-L145 HydrophobicContact CE2-CG 3.96Å; F36-L145 HydrophobicContact CZ-CD2 4.23Å; F36-L145 HydrophobicContact CZ-CG 4.25Å; F36-Y149 HydrophobicContact CE2-CD2 4.42Å; F36-Y149 HydrophobicContact CZ-CD2 4.22Å; F36-Y149 HydrophobicContact CZ-CE2 4.08Å
37E87.2Confident85.9Confident112 Ų11266.9 Ų66.952%0.52336%0.36SS..EExtended strand (participates in β ladder)trans-78.4125.4173.2-163.8-179.1160.100109.3S19S19-E37 WeakPolarHBondContact CB-OE1 3.12Å; S19-E37 PolarHBondContact OG-OE1 3.46Å
38D88.6Confident85.3Confident0 Ų066.2 Ų66.20%036%0.361CS..EExtended strand (participates in β ladder)trans-128.1157.6177.670.3-65.2000114.1S19 A20 V21 L22 V135 M136 V137S19-D38 WeakPolarHBondContact CB-O 3.25Å; A20-D38 WeakPolarHBondContact CA-O 3.4Å; A20-D38 WeakPolarHBondContact CA-OD1 3.49Å; A20-D38 HydrophobicContact CB-CB 4.33Å; A20-D38 VanDerWaalsContact CB-O 3.25Å; A20-D38 WeakPolarHBondContact CB-O 3.1Å; A20-D38 WeakPolarHBondContact CB-OD1 3.44Å; A20-D38 WeakPolarHBondContact CB-OD2 3.29Å; A20-D38 PolarHBondContact N-O 2.84Å; A20-D38 PolarHBondContact O-N 2.86Å; V21-D38 WeakPolarHBondContact CA-OD1 3.14Å; V21-D38 PolarHBondContact N-OD1 3.33Å; L22-D38 HydrophobicContact CB-CB 4.47Å; L22-D38 PolarHBondContact N-OD1 2.8Å; D38-V135 HydrophobicContact CB-CB 4.21Å; D38-V135 HydrophobicContact CB-CG2 4.45Å; D38-V135 WeakPolarHBondContact OD2-CB 2.92Å; D38-V135 WeakPolarHBondContact OD2-CG1 3.27Å; D38-M136 CarbonylContact C-O 3.59Å; D38-M136 WeakPolarHBondContact CA-O 3.41Å; D38-M136 WeakPolarHBondContact CB-O 3.41Å; D38-V137 HydrophobicContact CB-CG1 3.83Å
39S89.7Confident84Confident15 Ų1567.2 Ų67.211%0.10535%0.354CS..EExtended strand (participates in β ladder)trans-115.6118.6173.8-82.10000110T119 F120 V135 M136S39-T119 WeakPolarHBondContact OG-CB 3.5Å; S39-T119 PolarHBondContact OG-OG1 2.98Å; S39-F120 VanDerWaalsContact CB-C 3.44Å; S39-F120 WeakPolarHBondContact CB-O 3.25Å; S39-F120 PolarHBondContact OG-N 2.84Å; S39-V135 CarbonylContact O-C 3.43Å; S39-V135 WeakPolarHBondContact O-CA 3.45Å; S39-M136 PolarHBondContact N-O 2.98Å; S39-M136 PolarHBondContact O-N 3.21Å
40E89.8Confident82.7Confident46 Ų4667.7 Ų67.722%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-66.1138.8177-169.1175.8178.900111.4A46 V47 P121E40-A46 WeakPolarHBondContact OE1-CA 3.47Å; E40-V47 PolarHBondContact OE1-N 2.75Å; E40-P121 WeakPolarHBondContact O-CA 3.37Å
41A91.1Very high82Confident10 Ų1059.8 Ų59.88%0.08335%0.345CS..  trans-68.8150.6175.600000112.1F43 M122 A134A41-F43 HydrophobicContact CB-CD1 3.93Å; A41-F43 HydrophobicContact CB-CD2 4.18Å; A41-F43 HydrophobicContact CB-CE1 3.75Å; A41-F43 HydrophobicContact CB-CE2 3.98Å; A41-F43 HydrophobicContact CB-CG 4.15Å; A41-F43 HydrophobicContact CB-CZ 3.76Å; A41-F43 PolarHBondContact O-N 2.91Å; A41-M122 HydrophobicContact CB-CB 4.19Å; A41-M122 HydrophobicContact CB-CE 3.97Å; A41-A134 HydrophobicContact CB-CB 3.89Å; A41-A134 WeakPolarHBondContact CB-O 3.43Å; A41-A134 PolarHBondContact N-O 2.77Å
42L89.4Confident81.5Confident117 Ų11761.2 Ų61.261%0.61335%0.349SS*.SBendtrans-81.68172.5-58.1176.4000112.8P121 M122L42-P121 HydrophobicContact CD1-CB 4.34Å; L42-P121 HydrophobicContact CD2-CB 4.11Å; L42-P121 HydrophobicContact CG-CB 3.99Å; L42-M122 PolarHBondContact N-O 3.28Å
43F89.9Confident81.9Confident19 Ų1958.7 Ų58.78%0.08333%0.331CS..SBendtrans-131.9169.2176.861.5-98.6000109.3A41 F94 V95 A98 M122 V130 A134A41-F43 HydrophobicContact CB-CD1 3.93Å; A41-F43 HydrophobicContact CB-CD2 4.18Å; A41-F43 HydrophobicContact CB-CE1 3.75Å; A41-F43 HydrophobicContact CB-CE2 3.98Å; A41-F43 HydrophobicContact CB-CG 4.15Å; A41-F43 HydrophobicContact CB-CZ 3.76Å; A41-F43 PolarHBondContact O-N 2.91Å; F43-F94 HydrophobicContact CE1-CB 3.9Å; F43-F94 HydrophobicContact CZ-CB 3.88Å; F43-V95 HydrophobicContact CD1-CG2 3.9Å; F43-V95 HydrophobicContact CE1-CG2 3.99Å; F43-V95 HydrophobicContact CG-CG2 4.22Å; F43-V95 HydrophobicContact CZ-CG2 4.42Å; F43-A98 HydrophobicContact CE2-CB 3.6Å; F43-A98 HydrophobicContact CZ-CB 4.34Å; F43-M122 WeakPolarHBondContact CD1-O 3.49Å; F43-M122 HydrophobicContact CE1-CB 3.73Å; F43-M122 HydrophobicContact CZ-CB 4.3Å; F43-V130 HydrophobicContact CD2-CB 4.21Å; F43-V130 HydrophobicContact CD2-CG1 4.4Å; F43-V130 HydrophobicContact CD2-CG2 4.3Å; F43-A134 HydrophobicContact CE2-CB 3.68Å; F43-A134 HydrophobicContact CZ-CB 4.1Å
44G86.2Confident82.2Confident30 Ų3058.1 Ų58.131%0.30933%0.326SS..SBendtrans85.1178.1-172.800000111.7V130 I132G44-V130 VanDerWaalsContact CA-O 3.24Å; G44-V130 WeakPolarHBondContact CA-O 3.14Å; G44-I132 VanDerWaalsContact CA-O 3.26Å; G44-I132 WeakPolarHBondContact CA-O 3.32Å
45R86.7Confident82.4Confident147 Ų14755 Ų5556%0.55531%0.311SS*.SBendtrans-73.7130.4168.6-179.5176.665.7-179.6-0.8109S131 P133R45-S131 WeakPolarHBondContact CB-O 3.42Å; R45-S131 PolarHBondContact N-O 3.23Å; R45-P133 WeakPolarHBondContact O-CA 3.44Å; R45-P133 WeakPolarHBondContact O-CB 3.49Å
46A81.9Confident82.6Confident62 Ų6250.9 Ų50.951%0.51229%0.29SS..  trans-59.9144173.900000111.4E40 S48E40-A46 WeakPolarHBondContact OE1-CA 3.47Å; A46-S48 PolarHBondContact O-N 2.87Å
47V78.8Confident82.8Confident11 Ų1150.8 Ų50.87%0.06729%0.29CS..  trans-7297.6171.5-1730000107.4E40 I53 P133 I158 P160E40-V47 PolarHBondContact OE1-N 2.75Å; V47-I53 HydrophobicContact CB-CD1 4.26Å; V47-I53 HydrophobicContact CG1-CD1 3.82Å; V47-I53 HydrophobicContact CG2-CD1 3.74Å; V47-P133 HydrophobicContact CG2-CB 3.97Å; V47-I158 HydrophobicContact CG1-CG2 4.44Å; V47-I158 HydrophobicContact CG2-CG2 4.13Å; V47-P160 HydrophobicContact CG1-CB 4.02Å; V47-P160 VanDerWaalsContact O-CB 3.31Å; V47-P160 WeakPolarHBondContact O-CB 3.33Å
48S71.1Confident83.2Confident60 Ų6046.9 Ų46.942%0.4227%0.271SS..  trans-83.1151.2-175.3630000112.9A46 G50 S51A46-S48 PolarHBondContact O-N 2.87Å; S48-G50 PolarHBondContact O-N 3.18Å; S48-G50 VanDerWaalsContact O-N 3.13Å; S48-S51 PolarHBondContact N-OG 3.49Å; S48-S51 VanDerWaalsContact N-OG 3.11Å; S48-S51 PolarHBondContact O-N 2.83Å; S48-S51 VanDerWaalsContact O-N 3.08Å; S48-S51 PolarHBondContact O-OG 3.13Å; S48-S51 VanDerWaalsContact OG-CB 3.31Å; S48-S51 WeakPolarHBondContact OG-CB 3.13Å; S48-S51 PolarHBondContact OG-OG 2.62Å
49Q57.6Low83.5Confident126 Ų12648 Ų4859%0.58928%0.278SS*.THydrogen-bonded Turntrans-59.5116.3169.1-72177.3-5.400109.6P160 H162Q49-P160 HydrophobicContact CG-CG 4.49Å; Q49-H162 HydrophobicContact CG-CB 4.36Å; Q49-H162 PolarHBondContact NE2-ND1 3.16Å; Q49-H162 VanDerWaalsContact NE2-ND1 3.15Å; Q49-H162 PolarHBondContact NE2-O 2.7Å
50G58.2Low83.7Confident77 Ų7747.4 Ų47.479%0.79427%0.274SS*.THydrogen-bonded Turntrans103.4-15.3-178.100000114.7S48 L52S48-G50 PolarHBondContact O-N 3.18Å; S48-G50 VanDerWaalsContact O-N 3.13Å; G50-L52 PolarHBondContact O-N 2.77Å
51S65Low84Confident30 Ų3051.9 Ų51.921%0.2130%0.295CS..  trans-87.794.1169.962.20000109.8S48 I53S48-S51 PolarHBondContact N-OG 3.49Å; S48-S51 VanDerWaalsContact N-OG 3.11Å; S48-S51 PolarHBondContact O-N 2.83Å; S48-S51 VanDerWaalsContact O-N 3.08Å; S48-S51 PolarHBondContact O-OG 3.13Å; S48-S51 VanDerWaalsContact OG-CB 3.31Å; S48-S51 WeakPolarHBondContact OG-CB 3.13Å; S48-S51 PolarHBondContact OG-OG 2.62Å; S51-I53 PolarHBondContact O-N 3.36Å; S51-I53 VanDerWaalsContact O-N 3.16Å
52L72.7Confident84.2Confident105 Ų10554.1 Ų54.155%0.5531%0.308SS..  trans-70.4105.6171.5-172.574.3000109.3G50 L54 E157G50-L52 PolarHBondContact O-N 2.77Å; L52-L54 HydrophobicContact CD2-CB 4.29Å; L52-L54 HydrophobicContact CG-CB 4.27Å; L52-L54 PolarHBondContact O-N 3.02Å; L52-E157 VanDerWaalsContact CD1-CD 3.48Å; L52-E157 HydrophobicContact CD1-CG 3.6Å; L52-E157 WeakPolarHBondContact CD1-OE1 3.3Å
53I87Confident84.5Confident9 Ų951.5 Ų51.55%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-87.697.6172-59.6164.1000107.1V47 S51 I84 I107 A108 P133 E157 I158V47-I53 HydrophobicContact CB-CD1 4.26Å; V47-I53 HydrophobicContact CG1-CD1 3.82Å; V47-I53 HydrophobicContact CG2-CD1 3.74Å; S51-I53 PolarHBondContact O-N 3.36Å; S51-I53 VanDerWaalsContact O-N 3.16Å; I53-I84 HydrophobicContact CG2-CD1 4.15Å; I53-I107 HydrophobicContact CG2-CD1 4Å; I53-A108 HydrophobicContact CG2-CB 3.92Å; I53-P133 HydrophobicContact CD1-CB 3.9Å; I53-P133 HydrophobicContact CD1-CG 3.42Å; I53-P133 VanDerWaalsContact CD1-CG 3.42Å; I53-P133 HydrophobicContact CG1-CG 4.35Å; I53-E157 WeakPolarHBondContact O-CA 3.21Å; I53-I158 HydrophobicContact CB-CB 4.13Å; I53-I158 HydrophobicContact CD1-CB 4.45Å; I53-I158 HydrophobicContact CG2-CB 4.31Å; I53-I158 HydrophobicContact CG2-CD1 4.15Å; I53-I158 HydrophobicContact CG2-CG1 4.39Å; I53-I158 PolarHBondContact O-N 3.08Å
54L90.7Very high84.9Confident43 Ų4352.1 Ų52.123%0.22530%0.299CS..EExtended strand (participates in β ladder)trans-114.8124.3-179.3-16573.9000110L52 L81 P82 F155 V156 E157L52-L54 HydrophobicContact CD2-CB 4.29Å; L52-L54 HydrophobicContact CG-CB 4.27Å; L52-L54 PolarHBondContact O-N 3.02Å; L54-L81 HydrophobicContact CD2-CD2 3.91Å; L54-L81 HydrophobicContact CG-CD2 4.44Å; L54-P82 WeakPolarHBondContact O-CD 3.05Å; L54-P82 WeakPolarHBondContact O-CG 3.13Å; L54-F155 HydrophobicContact CD1-CD2 3.34Å; L54-F155 HydrophobicContact CD1-CE2 3.44Å; L54-F155 VanDerWaalsContact CD1-CE2 3.44Å; L54-F155 HydrophobicContact CD2-CD2 4.44Å; L54-F155 HydrophobicContact CD2-CE2 4.45Å; L54-F155 HydrophobicContact CG-CD2 3.96Å; L54-F155 HydrophobicContact CG-CE2 4.3Å; L54-V156 WeakPolarHBondContact CA-O 3.48Å; L54-E157 HydrophobicContact CD1-CB 3.84Å; L54-E157 HydrophobicContact CD1-CG 4.11Å
55G91.7Very high85.3Confident0 Ų050.7 Ų50.70%028%0.284CS..EExtended strand (participates in β ladder)trans-163165.117800000114.8P82 V156G55-P82 CarbonylContact C-O 3.52Å; G55-P82 WeakPolarHBondContact CA-O 3.38Å; G55-V156 PolarHBondContact N-O 3.34Å; G55-V156 PolarHBondContact O-N 3.49Å
56R92.5Very high85.8Confident42 Ų4245.7 Ų45.716%0.15827%0.271CS..EExtended strand (participates in β ladder)trans-79.3131.2171.3-71.7176.5174.5-125.2-7.9109.2L81 P82 Y83 I84 S152R56-L81 HydrophobicContact CG-CB 4.13Å; R56-L81 HydrophobicContact CG-CD1 4.35Å; R56-P82 PolarHBondContact N-O 2.86Å; R56-Y83 HydrophobicContact CB-CD1 3.88Å; R56-Y83 HydrophobicContact CB-CE1 3.89Å; R56-Y83 CarbonylContact O-C 3.59Å; R56-Y83 VanDerWaalsContact O-CA 3.32Å; R56-Y83 WeakPolarHBondContact O-CA 3.38Å; R56-I84 PolarHBondContact O-N 2.87Å; R56-S152 PolarHBondContact NH1-O 3.07Å; R56-S152 PolarHBondContact NH1-OG 3.45Å; R56-S152 PolarHBondContact NH2-O 3.16Å
57I93.7Very high86.5Confident6 Ų645.7 Ų45.73%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-75.1137.6174.5-159.2170.3000109.5I84 L86 L145 Y149 W150 V156I57-I84 CarbonylContact C-O 3.45Å; I57-I84 WeakPolarHBondContact CA-O 3.38Å; I57-L86 HydrophobicContact CD1-CB 3.89Å; I57-L86 HydrophobicContact CD1-CD1 4.12Å; I57-L86 HydrophobicContact CD1-CD2 4.02Å; I57-L86 HydrophobicContact CD1-CG 4.23Å; I57-L86 HydrophobicContact CG1-CB 3.77Å; I57-L145 HydrophobicContact CD1-CB 4.02Å; I57-L145 HydrophobicContact CD1-CD1 3.94Å; I57-L145 HydrophobicContact CD1-CD2 3.85Å; I57-L145 HydrophobicContact CD1-CG 4.17Å; I57-Y149 VanDerWaalsContact CG2-O 3.26Å; I57-Y149 WeakPolarHBondContact CG2-O 3.24Å; I57-W150 HydrophobicContact CG2-CB 4.22Å; I57-V156 HydrophobicContact CB-CG2 3.99Å; I57-V156 HydrophobicContact CD1-CG2 4.27Å; I57-V156 HydrophobicContact CG2-CG2 4.47Å
58H94Very high87.3Confident29 Ų2950.7 Ų50.713%0.13429%0.289CS..EExtended strand (participates in β ladder)trans-139.9127.9177.3174.8-87.6000109.7Y83 I84 S85 L86 Y106H58-Y83 HydrophobicContact CB-CD1 3.76Å; H58-Y83 HydrophobicContact CB-CE1 4.35Å; H58-I84 PolarHBondContact N-O 2.98Å; H58-S85 CarbonylContact O-C 3.58Å; H58-S85 WeakPolarHBondContact O-CA 3.26Å; H58-L86 PolarHBondContact O-N 2.9Å; H58-Y106 HydrophobicContact CB-CE1 4.13Å; H58-Y106 PolarHBondContact CE1-OH 3.31Å; H58-Y106 AromaticContact ND1-CZ 3.84Å; H58-Y106 PolarHBondContact ND1-OH 2.93Å
59V95.2Very high88.5Confident24 Ų2455.4 Ų55.415%0.14530%0.297CS..EExtended strand (participates in β ladder)trans-68.4132.6-177.4-172.80000109.7L63 L86 L146 W150V59-L63 HydrophobicContact CG1-CD1 3.53Å; V59-L86 HydrophobicContact CG2-CD2 4.46Å; V59-L146 HydrophobicContact CB-CD1 4.2Å; V59-L146 HydrophobicContact CG1-CD1 3.45Å; V59-L146 VanDerWaalsContact CG1-CD1 3.45Å; V59-L146 HydrophobicContact CG2-CD1 3.61Å; V59-W150 HydrophobicContact CG2-CB 3.8Å; V59-W150 HydrophobicContact CG2-CD2 4.11Å; V59-W150 HydrophobicContact CG2-CE3 4.18Å; V59-W150 HydrophobicContact CG2-CG 3.97Å
60S95.4Very high90.4Very high2 Ų249.4 Ų49.41%0.01427%0.269CS..  trans-71.3144.3176.166.50000111.7P62 L63 L86S60-P62 CarbonylContact C-O 3.58Å; S60-P62 WeakPolarHBondContact CB-O 3.38Å; S60-P62 CarbonylContact O-C 3.57Å; S60-P62 VanDerWaalsContact O-O 3.07Å; S60-P62 PolarHBondContact OG-O 3.09Å; S60-L63 VanDerWaalsContact O-CA 3.29Å; S60-L63 WeakPolarHBondContact O-CA 3.32Å; S60-L63 PolarHBondContact O-N 3.08Å; S60-L63 PolarHBondContact OG-O 3.13Å; S60-L63 VanDerWaalsContact OG-O 3.12Å; S60-L86 PolarHBondContact N-O 3.32Å; S60-L86 PolarHBondContact OG-O 3.08Å
61E94.3Very high92.1Very high141 Ų14148.8 Ų48.866%0.65925%0.251SS*.SBendtrans-120.4110.7170.4-68.5-176.6179.400108.4I67E61-I67 VanDerWaalsContact O-CD1 3.25Å; E61-I67 WeakPolarHBondContact O-CD1 3.26Å
62P96.4Very high93.4Very high56 Ų5651.1 Ų51.136%0.36426%0.258SS..SBendcis-67.3162-0.930.9-36000113.2S60 D64 G65 I67S60-P62 CarbonylContact C-O 3.58Å; S60-P62 WeakPolarHBondContact CB-O 3.38Å; S60-P62 CarbonylContact O-C 3.57Å; S60-P62 VanDerWaalsContact O-O 3.07Å; S60-P62 PolarHBondContact OG-O 3.09Å; P62-D64 WeakPolarHBondContact CB-OD1 3.36Å; P62-D64 WeakPolarHBondContact CG-OD1 3.42Å; P62-D64 PolarHBondContact O-N 2.82Å; P62-G65 WeakPolarHBondContact O-CA 3.49Å; P62-G65 PolarHBondContact O-N 2.91Å; P62-I67 HydrophobicContact CG-CG2 3.81Å
63L96.2Very high94.3Very high62 Ų6247.9 Ų47.933%0.32524%0.243SC..THydrogen-bonded Turntrans-62.3-28.6-176.7-175.263.8000112.8V59 S60 G65 K88 F112 L146V59-L63 HydrophobicContact CG1-CD1 3.53Å; S60-L63 VanDerWaalsContact O-CA 3.29Å; S60-L63 WeakPolarHBondContact O-CA 3.32Å; S60-L63 PolarHBondContact O-N 3.08Å; S60-L63 PolarHBondContact OG-O 3.13Å; S60-L63 VanDerWaalsContact OG-O 3.12Å; L63-G65 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 3.11Å; L63-K88 HydrophobicContact CD2-CB 4.28Å; L63-K88 HydrophobicContact CD2-CD 4.05Å; L63-K88 HydrophobicContact CG-CB 3.83Å; L63-K88 HydrophobicContact CG-CD 4.49Å; L63-K88 WeakPolarHBondContact O-CB 3.18Å; L63-K88 PolarHBondContact O-N 3.46Å; L63-F112 HydrophobicContact CD1-CE1 4.23Å; L63-F112 HydrophobicContact CD1-CZ 4.27Å; L63-F112 HydrophobicContact CD2-CZ 4.36Å; L63-F112 HydrophobicContact CG-CZ 4.44Å; L63-L146 HydrophobicContact CD1-CD1 3.98Å; L63-L146 HydrophobicContact CD2-CD2 4.46Å
64D96.8Very high94.3Very high32 Ų3257.5 Ų57.517%0.17128%0.284CS..THydrogen-bonded Turntrans-78.2-8.6173.5655000113.1P62 C66 I87 N91 K97P62-D64 WeakPolarHBondContact CB-OD1 3.36Å; P62-D64 WeakPolarHBondContact CG-OD1 3.42Å; P62-D64 PolarHBondContact O-N 2.82Å; D64-C66 PolarHBondContact O-N 3.08Å; D64-C66 VanDerWaalsContact O-N 3.08Å; D64-C66 PolarHBondContact O-SG 2.79Å; D64-C66 VanDerWaalsContact O-SG 3.34Å; D64-C66 PolarHBondContact OD1-N 3.01Å; D64-C66 VanDerWaalsContact OD1-N 3.09Å; D64-I87 VanDerWaalsContact C-CG2 3.48Å; D64-I87 VanDerWaalsContact O-CG2 3.3Å; D64-I87 WeakPolarHBondContact O-CG2 3.27Å; D64-N91 HydrophobicContact CB-CB 4.32Å; D64-N91 WeakPolarHBondContact OD2-CB 3.26Å; D64-N91 PolarHBondContact OD2-ND2 3.09Å; D64-K97 PolarHBondContact O-NZ 2.74Å
65G96.1Very high93.9Very high0 Ų061 Ų610%030%0.303CS..  trans61.315.4-179.700000114.3P62 L63 I67P62-G65 WeakPolarHBondContact O-CA 3.49Å; P62-G65 PolarHBondContact O-N 2.91Å; L63-G65 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 3.11Å; G65-I67 PolarHBondContact O-N 2.95Å
66C96.7Very high93.5Very high42 Ų4262 Ų6228%0.28431%0.311SS..  trans-83.261.5-174.8-61.70000111.8D64 N91 C92D64-C66 PolarHBondContact O-N 3.08Å; D64-C66 VanDerWaalsContact O-N 3.08Å; D64-C66 PolarHBondContact O-SG 2.79Å; D64-C66 VanDerWaalsContact O-SG 3.34Å; D64-C66 PolarHBondContact OD1-N 3.01Å; D64-C66 VanDerWaalsContact OD1-N 3.09Å; C66-N91 HydrophobicContact CB-CB 4.48Å; C66-N91 VanDerWaalsContact SG-CB 3.56Å; C66-C92 WeakPolarHBondContact CA-SG 3.39Å; C66-C92 HydrophobicContact CB-CB 3.81Å; C66-C92 WeakPolarHBondContact CB-SG 3.08Å; C66-C92 WeakPolarHBondContact SG-CB 3.41Å; C66-C92 PolarHBondContact SG-N 3.36Å; C66-C92 CovalentContact SG-SG 2.04Å; C66-C92 PolarHBondContact SG-SG 3.29Å
67I96.4Very high92.9Very high62 Ų6265 Ų6532%0.31834%0.339SS..SBendtrans-137.6163.3178.853.1171000109.4E61 P62 G65 R69 I70 A100E61-I67 VanDerWaalsContact O-CD1 3.25Å; E61-I67 WeakPolarHBondContact O-CD1 3.26Å; P62-I67 HydrophobicContact CG-CG2 3.81Å; G65-I67 PolarHBondContact O-N 2.95Å; I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 WeakPolarHBondContact CD1-O 3.25Å; I67-R69 PolarHBondContact O-N 3.5Å; I67-I70 HydrophobicContact CD1-CG1 4.19Å; I67-I70 HydrophobicContact CG1-CG1 4.09Å; I67-A100 WeakPolarHBondContact O-CB 3.22Å
68D95.2Very high92.3Very high117 Ų11771 Ų7163%0.62637%0.371SS*.SBendtrans-65.5-34.2-179.2-178.159.2000112.8K103D68-K103 WeakPolarHBondContact O-CD 3.43Å; D68-K103 IonicContact OD1-NZ 3.84Å; D68-K103 PolarHBondContact OD1-NZ 2.86Å
69R96.7Very high91.8Very high159 Ų15971 Ų7160%0.637%0.374SS*.SBendtrans-147.9114.9-175.8-179.8177.2-172.7-141.2-2.1111.3I67 P71 K103I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 WeakPolarHBondContact CD1-O 3.25Å; I67-R69 PolarHBondContact O-N 3.5Å; R69-P71 WeakPolarHBondContact O-CD 3.43Å; R69-K103 HydrophobicContact CB-CB 4.23Å; R69-K103 HydrophobicContact CG-CB 4.13Å; R69-K103 PolarHBondContact NE-O 3.5Å
70I96.7Very high91.3Very high0 Ų076.3 Ų76.30%041%0.407CS..PPolyproline II helixtrans-71.8120.8176.7-59.9174.2000109.2I67 I87 A100 A101 G104 Y106I67-I70 HydrophobicContact CD1-CG1 4.19Å; I67-I70 HydrophobicContact CG1-CG1 4.09Å; I70-I87 HydrophobicContact CD1-CD1 3.65Å; I70-I87 HydrophobicContact CD1-CG1 4.17Å; I70-A100 HydrophobicContact CD1-CB 4.07Å; I70-A100 HydrophobicContact CG1-CB 3.84Å; I70-A100 PolarHBondContact N-O 2.91Å; I70-A101 HydrophobicContact CD1-CB 4.1Å; I70-G104 WeakPolarHBondContact O-CA 3.31Å; I70-Y106 HydrophobicContact CB-CE2 4.04Å; I70-Y106 HydrophobicContact CG2-CE2 3.74Å
71P94.9Very high91Very high64 Ų6477.7 Ų77.742%0.41641%0.414SS..PPolyproline II helixtrans-68.114117828.2-33.1000110.4R69 Y106R69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-Y106 PolarHBondContact O-OH 3.23Å
72K92.8Very high90.9Very high79 Ų7973.4 Ų73.434%0.34340%0.398SS..PPolyproline II helixtrans-80160.8166.7-83.7-176.5-179.3179.40110.7A76 G104 G105 Y106K72-A76 HydrophobicContact CB-CB 3.95Å; K72-A76 HydrophobicContact CD-CB 4.11Å; K72-G104 WeakPolarHBondContact CD-O 3.4Å; K72-G104 VanDerWaalsContact CE-O 3.27Å; K72-G104 WeakPolarHBondContact CE-O 3.22Å; K72-G104 WeakPolarHBondContact CG-O 3.16Å; K72-G105 WeakPolarHBondContact CE-O 3.19Å; K72-G105 VanDerWaalsContact NZ-C 3.32Å; K72-G105 PolarHBondContact NZ-O 3.04Å; K72-Y106 HydrophobicContact CG-CD2 4.37Å; K72-Y106 HydrophobicContact CG-CE1 4.39Å; K72-Y106 HydrophobicContact CG-CE2 3.85Å
73P90.7Very high90.8Very high36 Ų3672 Ų7223%0.23439%0.386CS..PPolyproline II helixtrans-60.8145.4173.423.1-29.8000110.5N75 A76 Y83P73-N75 PolarHBondContact O-N 2.83Å; P73-A76 HydrophobicContact CG-CB 4.11Å; P73-A76 WeakPolarHBondContact O-CB 3.3Å; P73-A76 PolarHBondContact O-N 3.16Å; P73-Y83 HydrophobicContact CG-CD1 4.21Å; P73-Y83 HydrophobicContact CG-CE1 3.62Å; P73-Y83 HydrophobicContact CG-CE2 4.1Å
74K86.1Confident90.8Very high211 Ų21169 Ų6992%0.91737%0.37SS*.THydrogen-bonded Turntrans-54-29.5-174.7-66.5-179.9-179.3175.70113.9
75N83.1Confident90.7Very high117 Ų11767.5 Ų67.563%0.62636%0.362SS*.THydrogen-bonded Turntrans-97.316.2-179-63.6-16.2000113.5P73 S77 N78P73-N75 PolarHBondContact O-N 2.83Å; N75-S77 PolarHBondContact O-N 3Å; N75-N78 PolarHBondContact O-N 2.88Å
76A82.8Confident90.8Very high21 Ų2167.5 Ų67.517%0.17436%0.362CS..G310 helixtrans-60.7-31.5-174.500000113.7K72 P73 N78 S79 Y83K72-A76 HydrophobicContact CB-CB 3.95Å; K72-A76 HydrophobicContact CD-CB 4.11Å; P73-A76 HydrophobicContact CG-CB 4.11Å; P73-A76 WeakPolarHBondContact O-CB 3.3Å; P73-A76 PolarHBondContact O-N 3.16Å; A76-N78 PolarHBondContact O-N 3.28Å; A76-S79 PolarHBondContact O-N 2.9Å; A76-Y83 HydrophobicContact CB-CD2 4.09Å; A76-Y83 HydrophobicContact CB-CE2 3.64Å
77S80Confident90.8Very high105 Ų10565.5 Ų65.573%0.73435%0.349SS*.G310 helixtrans-64.1-21.6177.255.10000113.6N75N75-S77 PolarHBondContact O-N 3Å
78N82.1Confident90.9Very high131 Ų13166.2 Ų66.270%0.70135%0.35SS*.G310 helixtrans-93.8-6.2-178.1-61-1.8000112.1N75 A76N75-N78 PolarHBondContact O-N 2.88Å; A76-N78 PolarHBondContact O-N 3.28Å
79S82.6Confident91Very high30 Ų3064.3 Ų64.321%0.2133%0.333CS..  trans-79.1133.6178.2-178.60000110.3A76 L81A76-S79 PolarHBondContact O-N 2.9Å; S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 WeakPolarHBondContact CB-O 3.47Å; S79-L81 PolarHBondContact OG-N 3.26Å; S79-L81 PolarHBondContact OG-O 2.64Å
80T85.4Confident90.9Very high135 Ų13557.7 Ų57.783%0.82832%0.315SS*.SBendtrans-74.6-20.2172.653.20000112.9
81L88.7Confident90.8Very high32 Ų3264.7 Ų64.717%0.16835%0.352CS..SBendtrans-107.1140.4178.5-69.3174.1000110.5L27 L54 R56 S79 F155L27-L81 HydrophobicContact CD1-CD1 4.17Å; L54-L81 HydrophobicContact CD2-CD2 3.91Å; L54-L81 HydrophobicContact CG-CD2 4.44Å; R56-L81 HydrophobicContact CG-CB 4.13Å; R56-L81 HydrophobicContact CG-CD1 4.35Å; S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 WeakPolarHBondContact CB-O 3.47Å; S79-L81 PolarHBondContact OG-N 3.26Å; S79-L81 PolarHBondContact OG-O 2.64Å; L81-F155 HydrophobicContact CD1-CB 4.06Å; L81-F155 HydrophobicContact CD1-CG 4.41Å
82P92.5Very high90.8Very high50 Ų5063.3 Ų63.333%0.32534%0.344SS..  trans-67.8168.4173.532.7-36.8000110.8L54 G55 R56 I107L54-P82 WeakPolarHBondContact O-CD 3.05Å; L54-P82 WeakPolarHBondContact O-CG 3.13Å; G55-P82 CarbonylContact C-O 3.52Å; G55-P82 WeakPolarHBondContact CA-O 3.38Å; R56-P82 PolarHBondContact N-O 2.86Å; P82-I107 HydrophobicContact CB-CB 4.43Å; P82-I107 HydrophobicContact CB-CD1 3.86Å; P82-I107 HydrophobicContact CB-CG1 3.98Å; P82-I107 HydrophobicContact CB-CG2 3.62Å; P82-I107 HydrophobicContact CG-CD1 3.41Å; P82-I107 VanDerWaalsContact CG-CD1 3.41Å; P82-I107 HydrophobicContact CG-CG1 4.1Å; P82-I107 HydrophobicContact CG-CG2 4.28Å
83Y94.4Very high90.9Very high27 Ų2762.2 Ų62.211%0.10635%0.346CS..EExtended strand (participates in β ladder)trans-106.9143.1-178-73.9-88.3000112R56 H58 P73 A76 Y106 I107R56-Y83 HydrophobicContact CB-CD1 3.88Å; R56-Y83 HydrophobicContact CB-CE1 3.89Å; R56-Y83 CarbonylContact O-C 3.59Å; R56-Y83 VanDerWaalsContact O-CA 3.32Å; R56-Y83 WeakPolarHBondContact O-CA 3.38Å; H58-Y83 HydrophobicContact CB-CD1 3.76Å; H58-Y83 HydrophobicContact CB-CE1 4.35Å; P73-Y83 HydrophobicContact CG-CD1 4.21Å; P73-Y83 HydrophobicContact CG-CE1 3.62Å; P73-Y83 HydrophobicContact CG-CE2 4.1Å; A76-Y83 HydrophobicContact CB-CD2 4.09Å; A76-Y83 HydrophobicContact CB-CE2 3.64Å; Y83-Y106 WeakPolarHBondContact O-CA 3.49Å; Y83-Y106 WeakPolarHBondContact O-CD1 3.39Å; Y83-I107 WeakPolarHBondContact O-CG1 3.43Å; Y83-I107 PolarHBondContact O-N 3.11Å
84I95.2Very high91.1Very high0 Ų062.4 Ų62.40%034%0.343CS..EExtended strand (participates in β ladder)trans-114.2127.7173.4-62.9174.6000107.1I53 R56 I57 H58 I107 A108 V110 V156 I158I53-I84 HydrophobicContact CG2-CD1 4.15Å; R56-I84 PolarHBondContact O-N 2.87Å; I57-I84 CarbonylContact C-O 3.45Å; I57-I84 WeakPolarHBondContact CA-O 3.38Å; H58-I84 PolarHBondContact N-O 2.98Å; I84-I107 HydrophobicContact CG1-CD1 4.16Å; I84-I107 HydrophobicContact CG1-CG1 3.89Å; I84-A108 WeakPolarHBondContact CA-O 3.32Å; I84-A108 HydrophobicContact CG1-CB 4.12Å; I84-A108 HydrophobicContact CG2-CB 4.08Å; I84-V110 HydrophobicContact CG2-CG2 3.59Å; I84-V156 HydrophobicContact CD1-CB 4.37Å; I84-I158 HydrophobicContact CD1-CD1 4.33Å
85S96.5Very high91.5Very high0 Ų052.6 Ų52.60%030%0.301CS..EExtended strand (participates in β ladder)trans-82.6130.1-176.8-168.40000110H58 I87 Y106 A108 V110H58-S85 CarbonylContact O-C 3.58Å; H58-S85 WeakPolarHBondContact O-CA 3.26Å; S85-I87 WeakPolarHBondContact OG-CG1 3.41Å; S85-Y106 VanDerWaalsContact N-CD1 3.3Å; S85-A108 PolarHBondContact N-O 3.19Å; S85-V110 PolarHBondContact O-N 2.98Å
86L97.2Very high92Very high0 Ų050.8 Ų50.80%029%0.291CS..EExtended strand (participates in β ladder)trans-98.6122.2169.2178.964.8000109.5I57 H58 V59 S60 V110 F112 L145 L146I57-L86 HydrophobicContact CD1-CB 3.89Å; I57-L86 HydrophobicContact CD1-CD1 4.12Å; I57-L86 HydrophobicContact CD1-CD2 4.02Å; I57-L86 HydrophobicContact CD1-CG 4.23Å; I57-L86 HydrophobicContact CG1-CB 3.77Å; H58-L86 PolarHBondContact O-N 2.9Å; V59-L86 HydrophobicContact CG2-CD2 4.46Å; S60-L86 PolarHBondContact N-O 3.32Å; S60-L86 PolarHBondContact OG-O 3.08Å; L86-V110 CarbonylContact C-O 3.55Å; L86-V110 WeakPolarHBondContact CA-O 3.29Å; L86-V110 HydrophobicContact CD1-CB 4.22Å; L86-V110 HydrophobicContact CD1-CG1 3.88Å; L86-F112 HydrophobicContact CD1-CD1 3.67Å; L86-F112 HydrophobicContact CD1-CE1 4.28Å; L86-F112 HydrophobicContact CG-CD1 4.08Å; L86-F112 HydrophobicContact CG-CE1 4.18Å; L86-L145 HydrophobicContact CD1-CB 4.44Å; L86-L145 HydrophobicContact CD1-CD1 4.22Å; L86-L145 HydrophobicContact CD2-CB 3.83Å; L86-L146 HydrophobicContact CD2-CB 4.24Å; L86-L146 HydrophobicContact CD2-CD1 4.48Å
87I97.6Very high92.7Very high0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-133.4135.5-170.3-48.9173.6000109.5D64 I70 S85 K97 A101 A109 V110 I111 F112D64-I87 VanDerWaalsContact C-CG2 3.48Å; D64-I87 VanDerWaalsContact O-CG2 3.3Å; D64-I87 WeakPolarHBondContact O-CG2 3.27Å; I70-I87 HydrophobicContact CD1-CD1 3.65Å; I70-I87 HydrophobicContact CD1-CG1 4.17Å; S85-I87 WeakPolarHBondContact OG-CG1 3.41Å; I87-K97 HydrophobicContact CD1-CB 3.99Å; I87-K97 HydrophobicContact CG2-CB 4.19Å; I87-K97 HydrophobicContact CG2-CD 3.92Å; I87-K97 HydrophobicContact CG2-CG 4.01Å; I87-A101 HydrophobicContact CD1-CB 4.25Å; I87-A109 HydrophobicContact CD1-CB 4.38Å; I87-V110 PolarHBondContact N-O 3.4Å; I87-I111 HydrophobicContact CB-CG1 4.4Å; I87-I111 CarbonylContact O-C 3.53Å; I87-I111 VanDerWaalsContact O-CA 3.22Å; I87-I111 WeakPolarHBondContact O-CA 3.29Å; I87-F112 WeakPolarHBondContact O-CD1 3.2Å; I87-F112 PolarHBondContact O-N 2.69Å
88K97.7Very high93.4Very high77 Ų7744.8 Ų44.834%0.33525%0.248SC..EExtended strand (participates in β ladder)trans-79.5140.9173.9-170.7174.2176.7172.30111.3L63 K97 F112 D114L63-K88 HydrophobicContact CD2-CB 4.28Å; L63-K88 HydrophobicContact CD2-CD 4.05Å; L63-K88 HydrophobicContact CG-CB 3.83Å; L63-K88 HydrophobicContact CG-CD 4.49Å; L63-K88 WeakPolarHBondContact O-CB 3.18Å; L63-K88 PolarHBondContact O-N 3.46Å; K88-K97 PolarHBondContact O-NZ 3.15Å; K88-F112 VanDerWaalsContact CA-CE1 3.46Å; K88-F112 HydrophobicContact CB-CD1 4.37Å; K88-F112 HydrophobicContact CB-CE1 3.62Å; K88-F112 HydrophobicContact CB-CE2 3.97Å; K88-F112 HydrophobicContact CB-CZ 3.4Å; K88-F112 HydrophobicContact CD-CE2 4.03Å; K88-F112 HydrophobicContact CD-CZ 4Å; K88-F112 HydrophobicContact CG-CD2 4.34Å; K88-F112 HydrophobicContact CG-CE1 4.24Å; K88-F112 HydrophobicContact CG-CE2 3.65Å; K88-F112 HydrophobicContact CG-CZ 3.61Å; K88-D114 HydrophobicContact CG-CB 4.49Å
89R97.1Very high94.1Very high76 Ų7639.6 Ų39.629%0.28722%0.221SC..SBendtrans-61147.8168.8179175.4177.3-1623.4111.8F94 I111 F112 N113 D114 F120R89-F94 HydrophobicContact CB-CE1 4.45Å; R89-F94 HydrophobicContact CG-CE1 3.84Å; R89-F94 HydrophobicContact CG-CZ 4.16Å; R89-I111 HydrophobicContact CB-CG2 4.42Å; R89-F112 VanDerWaalsContact CB-O 3.27Å; R89-F112 WeakPolarHBondContact CB-O 3.47Å; R89-F112 PolarHBondContact N-O 3.24Å; R89-N113 WeakPolarHBondContact CD-OD1 3.47Å; R89-N113 PolarHBondContact NH1-OD1 2.99Å; R89-D114 HydrophobicContact CB-CB 4.19Å; R89-D114 VanDerWaalsContact CD-OD1 3.28Å; R89-D114 WeakPolarHBondContact CD-OD1 3.32Å; R89-D114 IonicContact NE-OD1 2.66Å; R89-D114 IonicContact NH1-OD1 3.62Å; R89-F120 VanDerWaalsContact CZ-CZ 3.43Å
90G94.7Very high94.7Very high20 Ų2038.2 Ų38.221%0.20621%0.212CC..SBendtrans120.5172.2176.200000114.1C92 K97G90-C92 PolarHBondContact O-N 2.81Å; G90-K97 VanDerWaalsContact O-CE 3.25Å; G90-K97 WeakPolarHBondContact O-CE 3.25Å; G90-K97 PolarHBondContact O-NZ 2.68Å
91N95.2Very high95.3Very high148 Ų14831.8 Ų31.879%0.79117%0.172SC*.SBendtrans62.1-38.4173.6-64.714.9000118.6D64 C66D64-N91 HydrophobicContact CB-CB 4.32Å; D64-N91 WeakPolarHBondContact OD2-CB 3.26Å; D64-N91 PolarHBondContact OD2-ND2 3.09Å; C66-N91 HydrophobicContact CB-CB 4.48Å; C66-N91 VanDerWaalsContact SG-CB 3.56Å
92C94.3Very high95.6Very high35 Ų3532.6 Ų32.624%0.23618%0.175CC..SBendtrans-141.9170.2177.957.30000110.6C66 G90 D96 K97C66-C92 WeakPolarHBondContact CA-SG 3.39Å; C66-C92 HydrophobicContact CB-CB 3.81Å; C66-C92 WeakPolarHBondContact CB-SG 3.08Å; C66-C92 WeakPolarHBondContact SG-CB 3.41Å; C66-C92 PolarHBondContact SG-N 3.36Å; C66-C92 CovalentContact SG-SG 2.04Å; C66-C92 PolarHBondContact SG-SG 3.29Å; G90-C92 PolarHBondContact O-N 2.81Å; C92-D96 HydrophobicContact CB-CB 4.22Å; C92-K97 WeakPolarHBondContact O-CE 3.46Å
93S94.4Very high95.8Very high55 Ų5535 Ų3539%0.38518%0.18SC..  trans-70.2157.7-176.378.60000112.1V95 D96 K97S93-V95 PolarHBondContact O-N 2.87Å; S93-D96 VanDerWaalsContact CB-OD2 3.32Å; S93-D96 WeakPolarHBondContact CB-OD2 3.15Å; S93-D96 PolarHBondContact N-OD2 2.04Å; S93-D96 VanDerWaalsContact N-OD2 3.13Å; S93-D96 PolarHBondContact O-N 2.8Å; S93-D96 PolarHBondContact OG-N 2.62Å; S93-D96 VanDerWaalsContact OG-N 3.16Å; S93-D96 PolarHBondContact OG-OD2 2.78Å; S93-K97 WeakPolarHBondContact O-CG 3.27Å; S93-K97 PolarHBondContact O-N 3.26Å; S93-K97 VanDerWaalsContact O-N 3.16Å
94F95.2Very high95.9Very high40 Ų4033.9 Ų33.918%0.17518%0.177CC..Hα-helixtrans-59.3-35176.1-59.9-62.1000112.4F43 R89 K97 A98 I111 F120 M122 M136F43-F94 HydrophobicContact CE1-CB 3.9Å; F43-F94 HydrophobicContact CZ-CB 3.88Å; R89-F94 HydrophobicContact CB-CE1 4.45Å; R89-F94 HydrophobicContact CG-CE1 3.84Å; R89-F94 HydrophobicContact CG-CZ 4.16Å; F94-K97 PolarHBondContact O-N 3.34Å; F94-A98 PolarHBondContact O-N 3.35Å; F94-A98 VanDerWaalsContact O-N 3.07Å; F94-I111 HydrophobicContact CB-CD1 4.39Å; F94-I111 HydrophobicContact CD1-CD1 4.17Å; F94-I111 HydrophobicContact CD1-CG2 4.13Å; F94-I111 HydrophobicContact CE1-CG2 4.22Å; F94-F120 AromaticContact CE2-CE2 3.94Å; F94-F120 HydrophobicContact CE2-CE2 3.94Å; F94-F120 HydrophobicContact CE2-CZ 4.49Å; F94-F120 AromaticContact CZ-CE2 3.83Å; F94-F120 HydrophobicContact CZ-CE2 3.83Å; F94-F120 AromaticContact CZ-CZ 3.98Å; F94-F120 HydrophobicContact CZ-CZ 3.98Å; F94-M122 HydrophobicContact CB-CB 4.1Å; F94-M122 HydrophobicContact CB-CG 4.39Å; F94-M122 HydrophobicContact CB-SD 3.93Å; F94-M122 HydrophobicContact CD1-CG 4.04Å; F94-M122 HydrophobicContact CD1-SD 3.37Å; F94-M122 WeakPolarHBondContact CD1-SD 3.42Å; F94-M122 HydrophobicContact CD2-CB 3.95Å; F94-M122 HydrophobicContact CD2-CG 4.01Å; F94-M122 HydrophobicContact CD2-SD 4.36Å; F94-M122 HydrophobicContact CE1-CG 4.27Å; F94-M122 HydrophobicContact CE1-SD 3.88Å; F94-M122 HydrophobicContact CE2-CG 4.26Å; F94-M122 HydrophobicContact CG-CB 3.99Å; F94-M122 HydrophobicContact CG-CG 3.9Å; F94-M122 HydrophobicContact CG-SD 3.64Å; F94-M122 HydrophobicContact CZ-CG 4.38Å; F94-M136 HydrophobicContact CD1-CE 4.34Å; F94-M136 HydrophobicContact CE1-CE 3.5Å; F94-M136 HydrophobicContact CZ-CE 3.69Å
95V94.5Very high95.9Very high6 Ų635.6 Ų35.64%0.03620%0.195CC..Hα-helixtrans-69.9-38.1178.5-167.70000111.1F43 S93 K97 A98 T99 T128 V130F43-V95 HydrophobicContact CD1-CG2 3.9Å; F43-V95 HydrophobicContact CE1-CG2 3.99Å; F43-V95 HydrophobicContact CG-CG2 4.22Å; F43-V95 HydrophobicContact CZ-CG2 4.42Å; S93-V95 PolarHBondContact O-N 2.87Å; V95-K97 PolarHBondContact O-N 3.3Å; V95-A98 PolarHBondContact O-N 2.88Å; V95-T99 VanDerWaalsContact O-CB 3.29Å; V95-T99 WeakPolarHBondContact O-CB 3.43Å; V95-T99 PolarHBondContact O-N 2.69Å; V95-T99 PolarHBondContact O-OG1 3.12Å; V95-T128 WeakPolarHBondContact CG1-OG1 3.11Å; V95-V130 HydrophobicContact CG1-CG2 3.55Å
96D94.7Very high95.9Very high78 Ų7835.9 Ų35.942%0.41720%0.196SC..Hα-helixtrans-62.1-44.4175.3-60.8-40.9000111.1C92 S93 A98 T99 A100C92-D96 HydrophobicContact CB-CB 4.22Å; S93-D96 VanDerWaalsContact CB-OD2 3.32Å; S93-D96 WeakPolarHBondContact CB-OD2 3.15Å; S93-D96 PolarHBondContact N-OD2 2.04Å; S93-D96 VanDerWaalsContact N-OD2 3.13Å; S93-D96 PolarHBondContact O-N 2.8Å; S93-D96 PolarHBondContact OG-N 2.62Å; S93-D96 VanDerWaalsContact OG-N 3.16Å; S93-D96 PolarHBondContact OG-OD2 2.78Å; D96-A98 PolarHBondContact O-N 2.82Å; D96-T99 PolarHBondContact O-N 2.78Å; D96-A100 VanDerWaalsContact O-CB 3.28Å; D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 3.42Å
97K96.2Very high95.8Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-59.2-47.9176.8-65.9170.3-170.2-74.10111.5D64 I87 K88 G90 C92 S93 F94 V95 A100 A101 I111D64-K97 PolarHBondContact O-NZ 2.74Å; I87-K97 HydrophobicContact CD1-CB 3.99Å; I87-K97 HydrophobicContact CG2-CB 4.19Å; I87-K97 HydrophobicContact CG2-CD 3.92Å; I87-K97 HydrophobicContact CG2-CG 4.01Å; K88-K97 PolarHBondContact O-NZ 3.15Å; G90-K97 VanDerWaalsContact O-CE 3.25Å; G90-K97 WeakPolarHBondContact O-CE 3.25Å; G90-K97 PolarHBondContact O-NZ 2.68Å; C92-K97 WeakPolarHBondContact O-CE 3.46Å; S93-K97 WeakPolarHBondContact O-CG 3.27Å; S93-K97 PolarHBondContact O-N 3.26Å; S93-K97 VanDerWaalsContact O-N 3.16Å; F94-K97 PolarHBondContact O-N 3.34Å; V95-K97 PolarHBondContact O-N 3.3Å; K97-A100 PolarHBondContact O-N 3.25Å; K97-A101 PolarHBondContact O-N 2.86Å; K97-I111 HydrophobicContact CB-CD1 4.11Å; K97-I111 HydrophobicContact CD-CD1 4.17Å; K97-I111 HydrophobicContact CD-CG2 4.5Å
98A95.8Very high95.6Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-67.7-39179.500000112.1F43 F94 V95 D96 A100 A101 E102 A109 V130 I132 A134F43-A98 HydrophobicContact CE2-CB 3.6Å; F43-A98 HydrophobicContact CZ-CB 4.34Å; F94-A98 PolarHBondContact O-N 3.35Å; F94-A98 VanDerWaalsContact O-N 3.07Å; V95-A98 PolarHBondContact O-N 2.88Å; D96-A98 PolarHBondContact O-N 2.82Å; A98-A100 VanDerWaalsContact C-N 3.35Å; A98-A100 PolarHBondContact O-N 2.93Å; A98-A101 PolarHBondContact O-N 2.89Å; A98-E102 WeakPolarHBondContact O-CB 3.43Å; A98-E102 PolarHBondContact O-N 2.96Å; A98-A109 HydrophobicContact CB-CB 4.5Å; A98-V130 HydrophobicContact CB-CG1 3.84Å; A98-V130 HydrophobicContact CB-CG2 4.24Å; A98-I132 WeakPolarHBondContact O-CD1 3.42Å; A98-A134 HydrophobicContact CB-CB 4.33Å
99T95.3Very high95.5Very high22 Ų2234.9 Ų34.914%0.13519%0.194CC..Hα-helixtrans-63-41.3174.3-55.90000111.2V95 D96 E102 K103 V130V95-T99 VanDerWaalsContact O-CB 3.29Å; V95-T99 WeakPolarHBondContact O-CB 3.43Å; V95-T99 PolarHBondContact O-N 2.69Å; V95-T99 PolarHBondContact O-OG1 3.12Å; D96-T99 PolarHBondContact O-N 2.78Å; T99-E102 PolarHBondContact O-N 2.88Å; T99-K103 HydrophobicContact CG2-CD 4.17Å; T99-K103 WeakPolarHBondContact O-CB 3.25Å; T99-K103 WeakPolarHBondContact O-CG 3.03Å; T99-K103 PolarHBondContact O-N 2.89Å; T99-V130 WeakPolarHBondContact OG1-CG2 3.27Å
100A96.5Very high95.5Very high2 Ų231.2 Ų31.22%0.01718%0.18CC..Hα-helixtrans-65.5-39.217800000112I67 I70 D96 K97 A98 G104I67-A100 WeakPolarHBondContact O-CB 3.22Å; I70-A100 HydrophobicContact CD1-CB 4.07Å; I70-A100 HydrophobicContact CG1-CB 3.84Å; I70-A100 PolarHBondContact N-O 2.91Å; D96-A100 VanDerWaalsContact O-CB 3.28Å; D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 3.42Å; K97-A100 PolarHBondContact O-N 3.25Å; A98-A100 VanDerWaalsContact C-N 3.35Å; A98-A100 PolarHBondContact O-N 2.93Å; A100-G104 PolarHBondContact O-N 3.29Å
101A97.3Very high95.6Very high0 Ų030.3 Ų30.30%017%0.17CC..Hα-helixtrans-65.6-44.7172.200000111.6I70 I87 K97 A98 K103 G104 G105 Y106 A109 I132I70-A101 HydrophobicContact CD1-CB 4.1Å; I87-A101 HydrophobicContact CD1-CB 4.25Å; K97-A101 PolarHBondContact O-N 2.86Å; A98-A101 PolarHBondContact O-N 2.89Å; A101-K103 PolarHBondContact O-N 2.91Å; A101-G104 CarbonylContact O-C 3.14Å; A101-G104 WeakPolarHBondContact O-CA 3.19Å; A101-G104 PolarHBondContact O-N 2.94Å; A101-G105 PolarHBondContact O-N 3.46Å; A101-G105 VanDerWaalsContact O-N 3.13Å; A101-Y106 HydrophobicContact CB-CD2 4.3Å; A101-Y106 HydrophobicContact CB-CG 4.45Å; A101-Y106 WeakPolarHBondContact O-CB 3.49Å; A101-Y106 VanDerWaalsContact O-CD2 3.24Å; A101-Y106 WeakPolarHBondContact O-CD2 3.33Å; A101-Y106 PolarHBondContact O-N 2.9Å; A101-A109 HydrophobicContact CB-CB 4.29Å; A101-I132 HydrophobicContact CB-CD1 3.94Å
102E96.4Very high95.7Very high48 Ų4823.4 Ų23.422%0.22413%0.133CC..Hα-helixtrans-58.8-48.6176.4175.6176-140.600111.9A98 T99 G104 G105 S131 I132A98-E102 WeakPolarHBondContact O-CB 3.43Å; A98-E102 PolarHBondContact O-N 2.96Å; T99-E102 PolarHBondContact O-N 2.88Å; E102-G104 PolarHBondContact O-N 3.47Å; E102-G105 WeakPolarHBondContact O-CA 3.37Å; E102-G105 PolarHBondContact O-N 3.37Å; E102-S131 WeakPolarHBondContact OE1-CA 3.35Å; E102-S131 WeakPolarHBondContact OE1-CB 3.28Å; E102-S131 PolarHBondContact OE1-N 3.22Å; E102-S131 PolarHBondContact OE1-OG 3.39Å; E102-I132 HydrophobicContact CB-CD1 4.01Å; E102-I132 HydrophobicContact CB-CG1 4.13Å; E102-I132 HydrophobicContact CB-CG2 4.15Å; E102-I132 HydrophobicContact CG-CG2 4.14Å
103K96.5Very high95.8Very high101 Ų10121.8 Ų21.844%0.43912%0.122SC..Hα-helixtrans-60.5-29.7173.9-73.6171173.51770112.4D68 R69 T99 A101 G105D68-K103 WeakPolarHBondContact O-CD 3.43Å; D68-K103 IonicContact OD1-NZ 3.84Å; D68-K103 PolarHBondContact OD1-NZ 2.86Å; R69-K103 HydrophobicContact CB-CB 4.23Å; R69-K103 HydrophobicContact CG-CB 4.13Å; R69-K103 PolarHBondContact NE-O 3.5Å; T99-K103 HydrophobicContact CG2-CD 4.17Å; T99-K103 WeakPolarHBondContact O-CB 3.25Å; T99-K103 WeakPolarHBondContact O-CG 3.03Å; T99-K103 PolarHBondContact O-N 2.89Å; A101-K103 PolarHBondContact O-N 2.91Å; K103-G105 PolarHBondContact O-N 2.8Å
104G95.8Very high95.9Very high4 Ų422.4 Ų22.44%0.04112%0.121CC..Hα-helixtrans-68.9-16.717100000113.9I70 K72 A100 A101 E102I70-G104 WeakPolarHBondContact O-CA 3.31Å; K72-G104 WeakPolarHBondContact CD-O 3.4Å; K72-G104 VanDerWaalsContact CE-O 3.27Å; K72-G104 WeakPolarHBondContact CE-O 3.22Å; K72-G104 WeakPolarHBondContact CG-O 3.16Å; A100-G104 PolarHBondContact O-N 3.29Å; A101-G104 CarbonylContact O-C 3.14Å; A101-G104 WeakPolarHBondContact O-CA 3.19Å; A101-G104 PolarHBondContact O-N 2.94Å; E102-G104 PolarHBondContact O-N 3.47Å
105G95.3Very high95.8Very high36 Ų3624 Ų2437%0.37114%0.141SC..THydrogen-bonded Turntrans86.515.5-177.200000113.7K72 A101 E102 K103K72-G105 WeakPolarHBondContact CE-O 3.19Å; K72-G105 VanDerWaalsContact NZ-C 3.32Å; K72-G105 PolarHBondContact NZ-O 3.04Å; A101-G105 PolarHBondContact O-N 3.46Å; A101-G105 VanDerWaalsContact O-N 3.13Å; E102-G105 WeakPolarHBondContact O-CA 3.37Å; E102-G105 PolarHBondContact O-N 3.37Å; K103-G105 PolarHBondContact O-N 2.8Å
106Y96.1Very high95.8Very high5 Ų527.3 Ų27.32%0.0216%0.159CC..  trans-67150.8174.3-68.8-94.4000110.2H58 I70 P71 K72 Y83 S85 A101 I132H58-Y106 HydrophobicContact CB-CE1 4.13Å; H58-Y106 PolarHBondContact CE1-OH 3.31Å; H58-Y106 AromaticContact ND1-CZ 3.84Å; H58-Y106 PolarHBondContact ND1-OH 2.93Å; I70-Y106 HydrophobicContact CB-CE2 4.04Å; I70-Y106 HydrophobicContact CG2-CE2 3.74Å; P71-Y106 PolarHBondContact O-OH 3.23Å; K72-Y106 HydrophobicContact CG-CD2 4.37Å; K72-Y106 HydrophobicContact CG-CE1 4.39Å; K72-Y106 HydrophobicContact CG-CE2 3.85Å; Y83-Y106 WeakPolarHBondContact O-CA 3.49Å; Y83-Y106 WeakPolarHBondContact O-CD1 3.39Å; S85-Y106 VanDerWaalsContact N-CD1 3.3Å; A101-Y106 HydrophobicContact CB-CD2 4.3Å; A101-Y106 HydrophobicContact CB-CG 4.45Å; A101-Y106 WeakPolarHBondContact O-CB 3.49Å; A101-Y106 VanDerWaalsContact O-CD2 3.24Å; A101-Y106 WeakPolarHBondContact O-CD2 3.33Å; A101-Y106 PolarHBondContact O-N 2.9Å; Y106-I132 WeakPolarHBondContact O-CG2 3.49Å
107I94.4Very high95.8Very high56 Ų5627.9 Ų27.929%0.28716%0.162SC..SBendtrans-89.5-16.7-179.359.8154.6000113.4I53 P82 Y83 I84 P133I53-I107 HydrophobicContact CG2-CD1 4Å; P82-I107 HydrophobicContact CB-CB 4.43Å; P82-I107 HydrophobicContact CB-CD1 3.86Å; P82-I107 HydrophobicContact CB-CG1 3.98Å; P82-I107 HydrophobicContact CB-CG2 3.62Å; P82-I107 HydrophobicContact CG-CD1 3.41Å; P82-I107 VanDerWaalsContact CG-CD1 3.41Å; P82-I107 HydrophobicContact CG-CG1 4.1Å; P82-I107 HydrophobicContact CG-CG2 4.28Å; Y83-I107 WeakPolarHBondContact O-CG1 3.43Å; Y83-I107 PolarHBondContact O-N 3.11Å; I84-I107 HydrophobicContact CG1-CD1 4.16Å; I84-I107 HydrophobicContact CG1-CG1 3.89Å; I107-P133 WeakPolarHBondContact O-CD 3.26Å
108A94.9Very high95.6Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-159.8162.317800000110I53 I84 S85 P133 I158I53-A108 HydrophobicContact CG2-CB 3.92Å; I84-A108 WeakPolarHBondContact CA-O 3.32Å; I84-A108 HydrophobicContact CG1-CB 4.12Å; I84-A108 HydrophobicContact CG2-CB 4.08Å; S85-A108 PolarHBondContact N-O 3.19Å; A108-P133 VanDerWaalsContact CA-O 3.26Å; A108-P133 WeakPolarHBondContact CA-O 3.3Å; A108-P133 HydrophobicContact CB-CG 3.91Å; A108-I158 HydrophobicContact CB-CD1 3.94Å
109A96Very high95.4Very high0 Ų031.9 Ų31.90%019%0.189CC..EExtended strand (participates in β ladder)trans-122.5129173.800000110.9I87 A98 A101 I132 P133 A134 V135I87-A109 HydrophobicContact CD1-CB 4.38Å; A98-A109 HydrophobicContact CB-CB 4.5Å; A101-A109 HydrophobicContact CB-CB 4.29Å; A109-I132 HydrophobicContact CB-CD1 4.24Å; A109-P133 PolarHBondContact N-O 3.38Å; A109-A134 HydrophobicContact CB-CB 4.29Å; A109-A134 CarbonylContact O-C 3.56Å; A109-A134 VanDerWaalsContact O-CA 3.25Å; A109-A134 WeakPolarHBondContact O-CA 3.36Å; A109-V135 PolarHBondContact O-N 3.15Å
110V96.4Very high95.1Very high0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-107116.3171.71780000106.9L22 I84 S85 L86 I87 V135 V137 L145 I158L22-V110 HydrophobicContact CD1-CB 4.41Å; L22-V110 HydrophobicContact CD1-CG1 3.85Å; L22-V110 HydrophobicContact CD1-CG2 3.6Å; I84-V110 HydrophobicContact CG2-CG2 3.59Å; S85-V110 PolarHBondContact O-N 2.98Å; L86-V110 CarbonylContact C-O 3.55Å; L86-V110 WeakPolarHBondContact CA-O 3.29Å; L86-V110 HydrophobicContact CD1-CB 4.22Å; L86-V110 HydrophobicContact CD1-CG1 3.88Å; I87-V110 PolarHBondContact N-O 3.4Å; V110-V135 HydrophobicContact CB-CG2 4.37Å; V110-V135 HydrophobicContact CG1-CG2 4.42Å; V110-V135 HydrophobicContact CG2-CG2 3.86Å; V110-V137 HydrophobicContact CG1-CG1 4.12Å; V110-V137 HydrophobicContact CG1-CG2 3.97Å; V110-L145 HydrophobicContact CG1-CD1 4.24Å; V110-I158 HydrophobicContact CG2-CD1 4.23Å
111I97.1Very high94.8Very high0 Ų037 Ų370%022%0.217CC..EExtended strand (participates in β ladder)trans-107.9117.4-178.3-59.2177.9000108.1I87 R89 F94 K97 M122 V135 M136 V137I87-I111 HydrophobicContact CB-CG1 4.4Å; I87-I111 CarbonylContact O-C 3.53Å; I87-I111 VanDerWaalsContact O-CA 3.22Å; I87-I111 WeakPolarHBondContact O-CA 3.29Å; R89-I111 HydrophobicContact CB-CG2 4.42Å; F94-I111 HydrophobicContact CB-CD1 4.39Å; F94-I111 HydrophobicContact CD1-CD1 4.17Å; F94-I111 HydrophobicContact CD1-CG2 4.13Å; F94-I111 HydrophobicContact CE1-CG2 4.22Å; K97-I111 HydrophobicContact CB-CD1 4.11Å; K97-I111 HydrophobicContact CD-CD1 4.17Å; K97-I111 HydrophobicContact CD-CG2 4.5Å; I111-M122 HydrophobicContact CB-CE 4.25Å; I111-M122 HydrophobicContact CB-SD 3.96Å; I111-M122 HydrophobicContact CD1-CE 3.93Å; I111-M122 HydrophobicContact CD1-SD 3.67Å; I111-M122 HydrophobicContact CG1-CE 4.35Å; I111-M122 HydrophobicContact CG1-SD 4.3Å; I111-M122 HydrophobicContact CG2-SD 4.2Å; I111-V135 PolarHBondContact N-O 2.98Å; I111-M136 HydrophobicContact CG2-CE 4.5Å; I111-M136 CarbonylContact O-C 3.45Å; I111-M136 WeakPolarHBondContact O-CA 3.45Å; I111-V137 PolarHBondContact O-N 3Å
112F97Very high94.6Very high4 Ų437 Ų372%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-96142.8176.968.9-83.5000111.6L63 L86 I87 K88 R89 V137 G142L63-F112 HydrophobicContact CD1-CE1 4.23Å; L63-F112 HydrophobicContact CD1-CZ 4.27Å; L63-F112 HydrophobicContact CD2-CZ 4.36Å; L63-F112 HydrophobicContact CG-CZ 4.44Å; L86-F112 HydrophobicContact CD1-CD1 3.67Å; L86-F112 HydrophobicContact CD1-CE1 4.28Å; L86-F112 HydrophobicContact CG-CD1 4.08Å; L86-F112 HydrophobicContact CG-CE1 4.18Å; I87-F112 WeakPolarHBondContact O-CD1 3.2Å; I87-F112 PolarHBondContact O-N 2.69Å; K88-F112 VanDerWaalsContact CA-CE1 3.46Å; K88-F112 HydrophobicContact CB-CD1 4.37Å; K88-F112 HydrophobicContact CB-CE1 3.62Å; K88-F112 HydrophobicContact CB-CE2 3.97Å; K88-F112 HydrophobicContact CB-CZ 3.4Å; K88-F112 HydrophobicContact CD-CE2 4.03Å; K88-F112 HydrophobicContact CD-CZ 4Å; K88-F112 HydrophobicContact CG-CD2 4.34Å; K88-F112 HydrophobicContact CG-CE1 4.24Å; K88-F112 HydrophobicContact CG-CE2 3.65Å; K88-F112 HydrophobicContact CG-CZ 3.61Å; R89-F112 VanDerWaalsContact CB-O 3.27Å; R89-F112 WeakPolarHBondContact CB-O 3.47Å; R89-F112 PolarHBondContact N-O 3.24Å; F112-V137 WeakPolarHBondContact CA-O 3.24Å; F112-V137 HydrophobicContact CB-CG2 3.51Å; F112-G142 VanDerWaalsContact CB-CA 3.45Å
113N96.6Very high94.1Very high0 Ų036.7 Ų36.70%023%0.226CC..  trans-66.1154.2179.7-164.60.4000111.1R89 D116 S118 V137 L139R89-N113 WeakPolarHBondContact CD-OD1 3.47Å; R89-N113 PolarHBondContact NH1-OD1 2.99Å; N113-D116 WeakPolarHBondContact CB-O 3.42Å; N113-D116 PolarHBondContact ND2-O 2.81Å; N113-D116 PolarHBondContact ND2-OD1 2.82Å; N113-S118 PolarHBondContact ND2-O 2.87Å; N113-S118 PolarHBondContact ND2-OG 2.78Å; N113-V137 PolarHBondContact N-O 3.4Å; N113-L139 VanDerWaalsContact O-CD1 3.3Å; N113-L139 WeakPolarHBondContact O-CD1 3.16Å
114D95.5Very high93.4Very high69 Ų6938.7 Ų38.737%0.36923%0.232SC..SBendtrans-107.8-12.2-175.365-31.1000114K88 R89K88-D114 HydrophobicContact CG-CB 4.49Å; R89-D114 HydrophobicContact CB-CB 4.19Å; R89-D114 VanDerWaalsContact CD-OD1 3.28Å; R89-D114 WeakPolarHBondContact CD-OD1 3.32Å; R89-D114 IonicContact NE-OD1 2.66Å; R89-D114 IonicContact NH1-OD1 3.62Å
115A92.9Very high92.3Very high72 Ų7244.9 Ų44.960%0.59526%0.264SS*.SBendtrans-111.1-44.8-173.400000113.8
116D94.6Very high90.8Very high77 Ų7747.9 Ų47.941%0.41228%0.279SS..SBendtrans-156.5-179.3-173.36015.6000111.4N113 S118 L139N113-D116 WeakPolarHBondContact CB-O 3.42Å; N113-D116 PolarHBondContact ND2-O 2.81Å; N113-D116 PolarHBondContact ND2-OD1 2.82Å; D116-S118 VanDerWaalsContact CG-OG 3.31Å; D116-S118 PolarHBondContact O-N 2.91Å; D116-S118 VanDerWaalsContact OD1-CB 3.32Å; D116-S118 WeakPolarHBondContact OD1-CB 3.21Å; D116-S118 PolarHBondContact OD1-N 2.76Å; D116-S118 VanDerWaalsContact OD1-N 3.13Å; D116-S118 PolarHBondContact OD1-OG 2.95Å; D116-S118 PolarHBondContact OD2-OG 2.97Å; D116-L139 WeakPolarHBondContact O-CB 3.13Å; D116-L139 PolarHBondContact O-N 3.12Å; D116-L139 VanDerWaalsContact O-N 3.16Å
117D94.3Very high89.4Confident89 Ų8952.6 Ų52.648%0.47631%0.313SS..SBendtrans-83.810.3176.8-68.2-31000113.5L139 S140D117-L139 PolarHBondContact OD1-N 3.3Å; D117-S140 VanDerWaalsContact CG-OG 3.29Å; D117-S140 VanDerWaalsContact OD1-CB 3.27Å; D117-S140 WeakPolarHBondContact OD1-CB 3.27Å; D117-S140 PolarHBondContact OD1-N 3.32Å; D117-S140 PolarHBondContact OD1-OG 2.9Å; D117-S140 VanDerWaalsContact OD1-OG 3.05Å; D117-S140 PolarHBondContact OD2-OG 3.39Å
118S92.6Very high88.3Confident52 Ų5252.7 Ų52.736%0.36432%0.316SS..  trans-71135.2173.874.50000110N113 D116N113-S118 PolarHBondContact ND2-O 2.87Å; N113-S118 PolarHBondContact ND2-OG 2.78Å; D116-S118 VanDerWaalsContact CG-OG 3.31Å; D116-S118 PolarHBondContact O-N 2.91Å; D116-S118 VanDerWaalsContact OD1-CB 3.32Å; D116-S118 WeakPolarHBondContact OD1-CB 3.21Å; D116-S118 PolarHBondContact OD1-N 2.76Å; D116-S118 VanDerWaalsContact OD1-N 3.13Å; D116-S118 PolarHBondContact OD1-OG 2.95Å; D116-S118 PolarHBondContact OD2-OG 2.97Å
119T90.9Very high87.7Confident32 Ų3260.5 Ų60.520%0.19636%0.358CS..  trans-113149.7170.371.40000109S39S39-T119 WeakPolarHBondContact OG-CB 3.5Å; S39-T119 PolarHBondContact OG-OG1 2.98Å
120F91Very high87.5Confident58 Ų5861.1 Ų61.125%0.25436%0.362SS..  trans-150.2151.6177.549.9-92.1000110.3S39 R89 F94 M122 M136S39-F120 VanDerWaalsContact CB-C 3.44Å; S39-F120 WeakPolarHBondContact CB-O 3.25Å; S39-F120 PolarHBondContact OG-N 2.84Å; R89-F120 VanDerWaalsContact CZ-CZ 3.43Å; F94-F120 AromaticContact CE2-CE2 3.94Å; F94-F120 HydrophobicContact CE2-CE2 3.94Å; F94-F120 HydrophobicContact CE2-CZ 4.49Å; F94-F120 AromaticContact CZ-CE2 3.83Å; F94-F120 HydrophobicContact CZ-CE2 3.83Å; F94-F120 AromaticContact CZ-CZ 3.98Å; F94-F120 HydrophobicContact CZ-CZ 3.98Å; F120-M122 PolarHBondContact O-N 3.48Å; F120-M122 VanDerWaalsContact O-N 3.11Å; F120-M136 HydrophobicContact CD1-SD 3.85Å; F120-M136 HydrophobicContact CD2-CE 4.45Å; F120-M136 HydrophobicContact CD2-SD 4.08Å; F120-M136 HydrophobicContact CE1-CE 4.14Å; F120-M136 HydrophobicContact CE1-SD 3.58Å; F120-M136 VanDerWaalsContact CE1-SD 3.58Å; F120-M136 HydrophobicContact CE2-CE 3.71Å; F120-M136 HydrophobicContact CE2-SD 3.84Å; F120-M136 HydrophobicContact CG-SD 4.08Å; F120-M136 HydrophobicContact CZ-CE 3.52Å; F120-M136 HydrophobicContact CZ-SD 3.56Å; F120-M136 VanDerWaalsContact CZ-SD 3.56Å
121P90Very high87.3Confident75 Ų7564.6 Ų64.649%0.48739%0.386SS..PPolyproline II helixtrans-63.7117176.826-34000109.7E40 L42 G123E40-P121 WeakPolarHBondContact O-CA 3.37Å; L42-P121 HydrophobicContact CD1-CB 4.34Å; L42-P121 HydrophobicContact CD2-CB 4.11Å; L42-P121 HydrophobicContact CG-CB 3.99Å; P121-G123 PolarHBondContact O-N 3.41Å
122M91.4Very high87.1Confident0 Ų065.2 Ų65.20%039%0.389CS..PPolyproline II helixtrans-71.9119.8-178.1-63.8179.8-7200110.1A41 L42 F43 F94 I111 F120 A134 M136A41-M122 HydrophobicContact CB-CB 4.19Å; A41-M122 HydrophobicContact CB-CE 3.97Å; L42-M122 PolarHBondContact N-O 3.28Å; F43-M122 WeakPolarHBondContact CD1-O 3.49Å; F43-M122 HydrophobicContact CE1-CB 3.73Å; F43-M122 HydrophobicContact CZ-CB 4.3Å; F94-M122 HydrophobicContact CB-CB 4.1Å; F94-M122 HydrophobicContact CB-CG 4.39Å; F94-M122 HydrophobicContact CB-SD 3.93Å; F94-M122 HydrophobicContact CD1-CG 4.04Å; F94-M122 HydrophobicContact CD1-SD 3.37Å; F94-M122 WeakPolarHBondContact CD1-SD 3.42Å; F94-M122 HydrophobicContact CD2-CB 3.95Å; F94-M122 HydrophobicContact CD2-CG 4.01Å; F94-M122 HydrophobicContact CD2-SD 4.36Å; F94-M122 HydrophobicContact CE1-CG 4.27Å; F94-M122 HydrophobicContact CE1-SD 3.88Å; F94-M122 HydrophobicContact CE2-CG 4.26Å; F94-M122 HydrophobicContact CG-CB 3.99Å; F94-M122 HydrophobicContact CG-CG 3.9Å; F94-M122 HydrophobicContact CG-SD 3.64Å; F94-M122 HydrophobicContact CZ-CG 4.38Å; I111-M122 HydrophobicContact CB-CE 4.25Å; I111-M122 HydrophobicContact CB-SD 3.96Å; I111-M122 HydrophobicContact CD1-CE 3.93Å; I111-M122 HydrophobicContact CD1-SD 3.67Å; I111-M122 HydrophobicContact CG1-CE 4.35Å; I111-M122 HydrophobicContact CG1-SD 4.3Å; I111-M122 HydrophobicContact CG2-SD 4.2Å; F120-M122 PolarHBondContact O-N 3.48Å; F120-M122 VanDerWaalsContact O-N 3.11Å; M122-A134 HydrophobicContact CE-CB 4.18Å; M122-M136 HydrophobicContact CE-CB 4.03Å; M122-M136 HydrophobicContact CG-CB 4.22Å; M122-M136 HydrophobicContact CG-CE 3.66Å; M122-M136 HydrophobicContact CG-SD 4.44Å; M122-M136 HydrophobicContact SD-CB 4.08Å; M122-M136 HydrophobicContact SD-CE 3.67Å
123G86.5Confident86.9Confident40 Ų4065 Ų6541%0.41239%0.388SS..PPolyproline II helixtrans-79.8171.517800000113.8P121P121-G123 PolarHBondContact O-N 3.41Å
124Y83Confident86.8Confident143 Ų14365.1 Ų65.156%0.56139%0.389SS*.  trans-117.8161.6178.373.1-83.1000111.7S126Y124-S126 WeakPolarHBondContact CE2-OG 3.33Å
125N71.7Confident86.7Confident135 Ų13561.9 Ų61.972%0.72237%0.371SS*.  trans-113.9131161.2-155.4-0.3000106.9S127N125-S127 PolarHBondContact O-N 2.9Å
126S64.5Low86.8Confident99 Ų9958.4 Ų58.469%0.69234%0.343SS*.THydrogen-bonded Turntrans-65.122.8-149.8-44.10000119.9Y124Y124-S126 WeakPolarHBondContact CE2-OG 3.33Å
127S65.2Low86.8Confident104 Ų10454.8 Ų54.873%0.72732%0.324SS*.THydrogen-bonded Turntrans-115.3-3.8-169.653.30000116N125N125-S127 PolarHBondContact O-N 2.9Å
128T72.5Confident86.9Confident57 Ų5750.6 Ų50.635%0.3530%0.301SS..  trans-133.7122.3-171.7390000112.4V95V95-T128 WeakPolarHBondContact CG1-OG1 3.11Å
129N82.9Confident87.1Confident164 Ų16449.8 Ų49.888%0.87729%0.293SS*.  trans-89.9101.9174.3-74.4-15.9000109
130V90.9Very high87.3Confident14 Ų1451.1 Ų51.19%0.08530%0.304CS..  trans-85.6131.7167177.40000108F43 G44 V95 A98 T99 I132F43-V130 HydrophobicContact CD2-CB 4.21Å; F43-V130 HydrophobicContact CD2-CG1 4.4Å; F43-V130 HydrophobicContact CD2-CG2 4.3Å; G44-V130 VanDerWaalsContact CA-O 3.24Å; G44-V130 WeakPolarHBondContact CA-O 3.14Å; V95-V130 HydrophobicContact CG1-CG2 3.55Å; A98-V130 HydrophobicContact CB-CG1 3.84Å; A98-V130 HydrophobicContact CB-CG2 4.24Å; T99-V130 WeakPolarHBondContact OG1-CG2 3.27Å; V130-I132 HydrophobicContact CG1-CG1 3.79Å; V130-I132 WeakPolarHBondContact CG1-O 3.19Å
131S92.2Very high87.5Confident72 Ų7250.4 Ų50.450%0.50330%0.303SS..  trans-96.5-18.2177.278.80000114R45 E102R45-S131 WeakPolarHBondContact CB-O 3.42Å; R45-S131 PolarHBondContact N-O 3.23Å; E102-S131 WeakPolarHBondContact OE1-CA 3.35Å; E102-S131 WeakPolarHBondContact OE1-CB 3.28Å; E102-S131 PolarHBondContact OE1-N 3.22Å; E102-S131 PolarHBondContact OE1-OG 3.39Å
132I93.5Very high87.7Confident13 Ų1346.9 Ų46.97%0.06728%0.279CS..SBendtrans-85.2144.7179.868.8171.2000111.4G44 A98 A101 E102 Y106 A109 V130G44-I132 VanDerWaalsContact CA-O 3.26Å; G44-I132 WeakPolarHBondContact CA-O 3.32Å; A98-I132 WeakPolarHBondContact O-CD1 3.42Å; A101-I132 HydrophobicContact CB-CD1 3.94Å; E102-I132 HydrophobicContact CB-CD1 4.01Å; E102-I132 HydrophobicContact CB-CG1 4.13Å; E102-I132 HydrophobicContact CB-CG2 4.15Å; E102-I132 HydrophobicContact CG-CG2 4.14Å; Y106-I132 WeakPolarHBondContact O-CG2 3.49Å; A109-I132 HydrophobicContact CB-CD1 4.24Å; V130-I132 HydrophobicContact CG1-CG1 3.79Å; V130-I132 WeakPolarHBondContact CG1-O 3.19Å
133P92.8Very high87.9Confident1 Ų151.5 Ų51.51%0.00630%0.301CS..  trans-63.1143.2168.922.5-30.4000111R45 V47 I53 I107 A108 A109R45-P133 WeakPolarHBondContact O-CA 3.44Å; R45-P133 WeakPolarHBondContact O-CB 3.49Å; V47-P133 HydrophobicContact CG2-CB 3.97Å; I53-P133 HydrophobicContact CD1-CB 3.9Å; I53-P133 HydrophobicContact CD1-CG 3.42Å; I53-P133 VanDerWaalsContact CD1-CG 3.42Å; I53-P133 HydrophobicContact CG1-CG 4.35Å; I107-P133 WeakPolarHBondContact O-CD 3.26Å; A108-P133 VanDerWaalsContact CA-O 3.26Å; A108-P133 WeakPolarHBondContact CA-O 3.3Å; A108-P133 HydrophobicContact CB-CG 3.91Å; A109-P133 PolarHBondContact N-O 3.38Å
134A93.7Very high88.2Confident1 Ų152.3 Ų52.31%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-131.7140174.600000110.4A41 F43 A98 A109 M122A41-A134 HydrophobicContact CB-CB 3.89Å; A41-A134 WeakPolarHBondContact CB-O 3.43Å; A41-A134 PolarHBondContact N-O 2.77Å; F43-A134 HydrophobicContact CE2-CB 3.68Å; F43-A134 HydrophobicContact CZ-CB 4.1Å; A98-A134 HydrophobicContact CB-CB 4.33Å; A109-A134 HydrophobicContact CB-CB 4.29Å; A109-A134 CarbonylContact O-C 3.56Å; A109-A134 VanDerWaalsContact O-CA 3.25Å; A109-A134 WeakPolarHBondContact O-CA 3.36Å; M122-A134 HydrophobicContact CE-CB 4.18Å
135V94Very high88.7Confident1 Ų145.5 Ų45.51%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-134.9151-179.3-59.10000110.8L22 D38 S39 A109 V110 I111 I158L22-V135 HydrophobicContact CD1-CG2 4.23Å; D38-V135 HydrophobicContact CB-CB 4.21Å; D38-V135 HydrophobicContact CB-CG2 4.45Å; D38-V135 WeakPolarHBondContact OD2-CB 2.92Å; D38-V135 WeakPolarHBondContact OD2-CG1 3.27Å; S39-V135 CarbonylContact O-C 3.43Å; S39-V135 WeakPolarHBondContact O-CA 3.45Å; A109-V135 PolarHBondContact O-N 3.15Å; V110-V135 HydrophobicContact CB-CG2 4.37Å; V110-V135 HydrophobicContact CG1-CG2 4.42Å; V110-V135 HydrophobicContact CG2-CG2 3.86Å; I111-V135 PolarHBondContact N-O 2.98Å; V135-I158 HydrophobicContact CG1-CG2 3.96Å; V135-I158 HydrophobicContact CG2-CD1 4.09Å
136M94.9Very high89.7Confident0 Ų041 Ų410%025%0.245CC..EExtended strand (participates in β ladder)trans-109.8129.9177.2176.7172.5-80.200111.8D38 S39 F94 I111 F120 M122D38-M136 CarbonylContact C-O 3.59Å; D38-M136 WeakPolarHBondContact CA-O 3.41Å; D38-M136 WeakPolarHBondContact CB-O 3.41Å; S39-M136 PolarHBondContact N-O 2.98Å; S39-M136 PolarHBondContact O-N 3.21Å; F94-M136 HydrophobicContact CD1-CE 4.34Å; F94-M136 HydrophobicContact CE1-CE 3.5Å; F94-M136 HydrophobicContact CZ-CE 3.69Å; I111-M136 HydrophobicContact CG2-CE 4.5Å; I111-M136 CarbonylContact O-C 3.45Å; I111-M136 WeakPolarHBondContact O-CA 3.45Å; F120-M136 HydrophobicContact CD1-SD 3.85Å; F120-M136 HydrophobicContact CD2-CE 4.45Å; F120-M136 HydrophobicContact CD2-SD 4.08Å; F120-M136 HydrophobicContact CE1-CE 4.14Å; F120-M136 HydrophobicContact CE1-SD 3.58Å; F120-M136 VanDerWaalsContact CE1-SD 3.58Å; F120-M136 HydrophobicContact CE2-CE 3.71Å; F120-M136 HydrophobicContact CE2-SD 3.84Å; F120-M136 HydrophobicContact CG-SD 4.08Å; F120-M136 HydrophobicContact CZ-CE 3.52Å; F120-M136 HydrophobicContact CZ-SD 3.56Å; F120-M136 VanDerWaalsContact CZ-SD 3.56Å; M122-M136 HydrophobicContact CE-CB 4.03Å; M122-M136 HydrophobicContact CG-CB 4.22Å; M122-M136 HydrophobicContact CG-CE 3.66Å; M122-M136 HydrophobicContact CG-SD 4.44Å; M122-M136 HydrophobicContact SD-CB 4.08Å; M122-M136 HydrophobicContact SD-CE 3.67Å
137V95.2Very high91Very high0 Ų041.9 Ų41.90%024%0.242CC..EExtended strand (participates in β ladder)trans-112.6162.3171.5-63.20000111.2L22 D38 V110 I111 F112 N113 D141 L145L22-V137 HydrophobicContact CD1-CG1 4.16Å; D38-V137 HydrophobicContact CB-CG1 3.83Å; V110-V137 HydrophobicContact CG1-CG1 4.12Å; V110-V137 HydrophobicContact CG1-CG2 3.97Å; I111-V137 PolarHBondContact O-N 3Å; F112-V137 WeakPolarHBondContact CA-O 3.24Å; F112-V137 HydrophobicContact CB-CG2 3.51Å; N113-V137 PolarHBondContact N-O 3.4Å; V137-D141 HydrophobicContact CB-CB 4.19Å; V137-D141 HydrophobicContact CG2-CB 4.49Å; V137-L145 HydrophobicContact CG2-CD1 4.29Å
138G95.6Very high92.2Very high1 Ų141.1 Ų41.11%0.0123%0.225CC..  trans-62.7168.517500000113.5G142G138-G142 PolarHBondContact O-N 2.96Å
139L96.2Very high92.9Very high35 Ų3538.4 Ų38.418%0.18321%0.209CC..Hα-helixtrans-63-52.1178.117361.7000111.8N113 D116 D117 D141 G142 E143N113-L139 VanDerWaalsContact O-CD1 3.3Å; N113-L139 WeakPolarHBondContact O-CD1 3.16Å; D116-L139 WeakPolarHBondContact O-CB 3.13Å; D116-L139 PolarHBondContact O-N 3.12Å; D116-L139 VanDerWaalsContact O-N 3.16Å; D117-L139 PolarHBondContact OD1-N 3.3Å; L139-D141 VanDerWaalsContact C-N 3.29Å; L139-D141 PolarHBondContact O-N 2.56Å; L139-G142 PolarHBondContact O-N 2.78Å; L139-E143 HydrophobicContact CD1-CG 4.26Å; L139-E143 WeakPolarHBondContact O-CG 3.35Å; L139-E143 PolarHBondContact O-N 3.47Å
140S95.4Very high92.8Very high61 Ų6136.6 Ų36.643%0.42719%0.19SC..Hα-helixtrans-57.9-42.7180-59.50000111.4D117 E143 L144D117-S140 VanDerWaalsContact CG-OG 3.29Å; D117-S140 VanDerWaalsContact OD1-CB 3.27Å; D117-S140 WeakPolarHBondContact OD1-CB 3.27Å; D117-S140 PolarHBondContact OD1-N 3.32Å; D117-S140 PolarHBondContact OD1-OG 2.9Å; D117-S140 VanDerWaalsContact OD1-OG 3.05Å; D117-S140 PolarHBondContact OD2-OG 3.39Å; S140-E143 PolarHBondContact O-N 2.82Å; S140-L144 PolarHBondContact O-N 3.46Å
141D94.6Very high92Very high43 Ų4341.1 Ų41.123%0.2321%0.21CC..Hα-helixtrans-66.9-44.2178.3-65.3-13.3000111.5F36 V137 L139 E143 L144 L145F36-D141 HydrophobicContact CB-CB 4.46Å; F36-D141 HydrophobicContact CD1-CB 3.44Å; F36-D141 VanDerWaalsContact CD1-CB 3.44Å; F36-D141 WeakPolarHBondContact CD1-OD1 3.48Å; F36-D141 HydrophobicContact CE1-CB 3.81Å; F36-D141 HydrophobicContact CG-CB 4.15Å; V137-D141 HydrophobicContact CB-CB 4.19Å; V137-D141 HydrophobicContact CG2-CB 4.49Å; L139-D141 VanDerWaalsContact C-N 3.29Å; L139-D141 PolarHBondContact O-N 2.56Å; D141-E143 PolarHBondContact O-N 3.18Å; D141-L144 PolarHBondContact O-N 2.78Å; D141-L145 WeakPolarHBondContact O-CG 3.18Å; D141-L145 PolarHBondContact O-N 2.87Å
142G95Very high91.2Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-59-43.3173.600000113.3F112 G138 L139 L144 L145 L146F112-G142 VanDerWaalsContact CB-CA 3.45Å; G138-G142 PolarHBondContact O-N 2.96Å; L139-G142 PolarHBondContact O-N 2.78Å; G142-L144 VanDerWaalsContact C-N 3.34Å; G142-L145 PolarHBondContact O-N 2.86Å; G142-L146 VanDerWaalsContact O-CB 3.26Å; G142-L146 WeakPolarHBondContact O-CB 3.41Å; G142-L146 PolarHBondContact O-N 3.39Å
143E94.9Very high90.8Very high97 Ų9747.8 Ų47.845%0.45324%0.237SC..Hα-helixtrans-65.8-36.9175.8-73.1-171.8169.400112L139 S140 D141 L146 N147L139-E143 HydrophobicContact CD1-CG 4.26Å; L139-E143 WeakPolarHBondContact O-CG 3.35Å; L139-E143 PolarHBondContact O-N 3.47Å; S140-E143 PolarHBondContact O-N 2.82Å; D141-E143 PolarHBondContact O-N 3.18Å; E143-L146 PolarHBondContact O-N 3.16Å; E143-N147 VanDerWaalsContact O-CB 3.29Å; E143-N147 WeakPolarHBondContact O-CB 3.39Å; E143-N147 VanDerWaalsContact O-CG 3.29Å; E143-N147 PolarHBondContact O-N 3.32Å; E143-N147 PolarHBondContact O-ND2 2.83Å
144L93.5Very high90.6Very high57 Ų5749.3 Ų49.330%0.29824%0.243SC..Hα-helixtrans-67.6-42.7175.5-169.262.2000111.3F36 S140 D141 G142 L146 N147 K148 Y149F36-L144 HydrophobicContact CE1-CB 4.49Å; F36-L144 HydrophobicContact CE1-CD2 3.89Å; F36-L144 HydrophobicContact CZ-CB 4.38Å; F36-L144 HydrophobicContact CZ-CD2 3.82Å; F36-L144 HydrophobicContact CZ-CG 4.31Å; S140-L144 PolarHBondContact O-N 3.46Å; D141-L144 PolarHBondContact O-N 2.78Å; G142-L144 VanDerWaalsContact C-N 3.34Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3Å; L144-N147 PolarHBondContact O-N 3.1Å; L144-K148 HydrophobicContact CD1-CB 4.15Å; L144-K148 HydrophobicContact CD1-CD 3.92Å; L144-K148 WeakPolarHBondContact O-CB 3.32Å; L144-K148 PolarHBondContact O-N 2.77Å; L144-Y149 HydrophobicContact CD1-CE2 4.34Å; L144-Y149 HydrophobicContact CD2-CE2 3.77Å; L144-Y149 HydrophobicContact CG-CD2 4.08Å; L144-Y149 HydrophobicContact CG-CE2 3.61Å
145L94.2Very high90.5Very high0 Ų050 Ų500%025%0.245CC..Iπ-helixtrans-59.3-43.7172.6-72.7173.6000111.5L22 V24 F36 I57 L86 V110 V137 D141 G142 Y149 W150L22-L145 HydrophobicContact CD2-CD1 4.44Å; L22-L145 HydrophobicContact CD2-CD2 4.38Å; V24-L145 HydrophobicContact CG2-CD2 3.78Å; F36-L145 HydrophobicContact CD2-CD2 4.24Å; F36-L145 HydrophobicContact CD2-CG 4.5Å; F36-L145 HydrophobicContact CE2-CD2 3.6Å; F36-L145 HydrophobicContact CE2-CG 3.96Å; F36-L145 HydrophobicContact CZ-CD2 4.23Å; F36-L145 HydrophobicContact CZ-CG 4.25Å; I57-L145 HydrophobicContact CD1-CB 4.02Å; I57-L145 HydrophobicContact CD1-CD1 3.94Å; I57-L145 HydrophobicContact CD1-CD2 3.85Å; I57-L145 HydrophobicContact CD1-CG 4.17Å; L86-L145 HydrophobicContact CD1-CB 4.44Å; L86-L145 HydrophobicContact CD1-CD1 4.22Å; L86-L145 HydrophobicContact CD2-CB 3.83Å; V110-L145 HydrophobicContact CG1-CD1 4.24Å; V137-L145 HydrophobicContact CG2-CD1 4.29Å; D141-L145 WeakPolarHBondContact O-CG 3.18Å; D141-L145 PolarHBondContact O-N 2.87Å; G142-L145 PolarHBondContact O-N 2.86Å; L145-Y149 HydrophobicContact CD2-CD2 4.22Å; L145-Y149 PolarHBondContact O-N 3.05Å; L145-W150 PolarHBondContact O-N 3.41Å; L145-W150 VanDerWaalsContact O-N 3.08Å
146L92.7Very high90.4Very high41 Ų4150 Ų5022%0.21525%0.245CC..Iπ-helixtrans-66.8-40.3-179.8-176.367.3000113V59 L63 L86 G142 E143 L144 W150V59-L146 HydrophobicContact CB-CD1 4.2Å; V59-L146 HydrophobicContact CG1-CD1 3.45Å; V59-L146 VanDerWaalsContact CG1-CD1 3.45Å; V59-L146 HydrophobicContact CG2-CD1 3.61Å; L63-L146 HydrophobicContact CD1-CD1 3.98Å; L63-L146 HydrophobicContact CD2-CD2 4.46Å; L86-L146 HydrophobicContact CD2-CB 4.24Å; L86-L146 HydrophobicContact CD2-CD1 4.48Å; G142-L146 VanDerWaalsContact O-CB 3.26Å; G142-L146 WeakPolarHBondContact O-CB 3.41Å; G142-L146 PolarHBondContact O-N 3.39Å; E143-L146 PolarHBondContact O-N 3.16Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3Å; L146-W150 PolarHBondContact O-NE1 2.58Å
147N91.3Very high90.2Very high117 Ų11751.1 Ų51.163%0.62625%0.251SS*.Iπ-helixtrans-93.4-27.4-171.7-68.8-39.2000113.7E143 L144E143-N147 VanDerWaalsContact O-CB 3.29Å; E143-N147 WeakPolarHBondContact O-CB 3.39Å; E143-N147 VanDerWaalsContact O-CG 3.29Å; E143-N147 PolarHBondContact O-N 3.32Å; E143-N147 PolarHBondContact O-ND2 2.83Å; L144-N147 PolarHBondContact O-N 3.1Å
148K89.5Confident89.9Confident88 Ų8851.2 Ų51.238%0.38325%0.251SS..Iπ-helixtrans-120-41.6-170.1-170.2177.8175.2-166.90113.7E34 L144E34-K148 IonicContact OE1-NZ 3.1Å; L144-K148 HydrophobicContact CD1-CB 4.15Å; L144-K148 HydrophobicContact CD1-CD 3.92Å; L144-K148 WeakPolarHBondContact O-CB 3.32Å; L144-K148 PolarHBondContact O-N 2.77Å
149Y87.7Confident89.3Confident1 Ų153.7 Ų53.70%0.00426%0.264CS..Iπ-helixtrans-104.3-4.3-165.2-60-56.5000115.8V24 V33 E34 F36 I57 L144 L145 E151 Y154V24-Y149 HydrophobicContact CG1-CD1 3.67Å; V24-Y149 HydrophobicContact CG1-CD2 4.39Å; V24-Y149 HydrophobicContact CG1-CE1 4.09Å; V24-Y149 HydrophobicContact CG1-CG 3.85Å; V24-Y149 HydrophobicContact CG2-CD2 4.26Å; V24-Y149 HydrophobicContact CG2-CG 4.31Å; V33-Y149 HydrophobicContact CG1-CE1 4.34Å; E34-Y149 HydrophobicContact CB-CE2 4.31Å; E34-Y149 HydrophobicContact CG-CE1 4.49Å; E34-Y149 HydrophobicContact CG-CE2 3.56Å; E34-Y149 VanDerWaalsContact CG-CZ 3.41Å; E34-Y149 WeakPolarHBondContact CG-OH 3.24Å; E34-Y149 PolarHBondContact OE1-OH 3.42Å; F36-Y149 HydrophobicContact CE2-CD2 4.42Å; F36-Y149 HydrophobicContact CZ-CD2 4.22Å; F36-Y149 HydrophobicContact CZ-CE2 4.08Å; I57-Y149 VanDerWaalsContact CG2-O 3.26Å; I57-Y149 WeakPolarHBondContact CG2-O 3.24Å; L144-Y149 HydrophobicContact CD1-CE2 4.34Å; L144-Y149 HydrophobicContact CD2-CE2 3.77Å; L144-Y149 HydrophobicContact CG-CD2 4.08Å; L144-Y149 HydrophobicContact CG-CE2 3.61Å; L145-Y149 HydrophobicContact CD2-CD2 4.22Å; L145-Y149 PolarHBondContact O-N 3.05Å; Y149-E151 PolarHBondContact O-N 2.74Å; Y149-Y154 AromaticContact CD1-CD1 3.94Å; Y149-Y154 HydrophobicContact CD1-CD1 3.94Å; Y149-Y154 AromaticContact CD1-CD2 3.63Å; Y149-Y154 HydrophobicContact CD1-CD2 3.63Å; Y149-Y154 HydrophobicContact CD1-CE1 4.13Å; Y149-Y154 AromaticContact CD1-CE2 3.81Å; Y149-Y154 HydrophobicContact CD1-CE2 3.81Å; Y149-Y154 AromaticContact CD1-CG 3.68Å; Y149-Y154 HydrophobicContact CD1-CG 3.68Å; Y149-Y154 HydrophobicContact CE1-CD1 4.28Å; Y149-Y154 HydrophobicContact CE1-CD2 4.43Å; Y149-Y154 HydrophobicContact CE1-CE1 4.09Å; Y149-Y154 HydrophobicContact CE1-CE2 4.21Å; Y149-Y154 HydrophobicContact CE1-CG 4.44Å
150W81.5Confident88.4Confident126 Ų12653.1 Ų53.148%0.47726%0.262SS..SBendtrans-72.5-9.2172.684.7-74.7000114.4I57 V59 L145 L146I57-W150 HydrophobicContact CG2-CB 4.22Å; V59-W150 HydrophobicContact CG2-CB 3.8Å; V59-W150 HydrophobicContact CG2-CD2 4.11Å; V59-W150 HydrophobicContact CG2-CE3 4.18Å; V59-W150 HydrophobicContact CG2-CG 3.97Å; L145-W150 PolarHBondContact O-N 3.41Å; L145-W150 VanDerWaalsContact O-N 3.08Å; L146-W150 PolarHBondContact O-NE1 2.58Å
151E74.4Confident86.9Confident109 Ų10953.2 Ų53.251%0.50926%0.26SS..SBendtrans-67.4154.3175.7-66-169.5-179.900112.8Y149 R153 Y154Y149-E151 PolarHBondContact O-N 2.74Å; E151-R153 PolarHBondContact O-N 3.13Å; E151-Y154 PolarHBondContact O-N 3.31Å
152S74.3Confident85.1Confident89 Ų8956.1 Ų56.162%0.62227%0.272SS*.THydrogen-bonded Turntrans-61.2-4.3-174.8-76.20000116.6R56R56-S152 PolarHBondContact NH1-O 3.07Å; R56-S152 PolarHBondContact NH1-OG 3.45Å; R56-S152 PolarHBondContact NH2-O 3.16Å
153R85Confident83Confident136 Ų13666.8 Ų66.851%0.51331%0.313SS..THydrogen-bonded Turntrans-83.3-28.6179.7-173.2-174.1-61.6-1581.9112.7D26 L27 E151D26-R153 VanDerWaalsContact OD2-CD 3.25Å; D26-R153 WeakPolarHBondContact OD2-CD 3.48Å; L27-R153 WeakPolarHBondContact CB-O 3.49Å; L27-R153 PolarHBondContact N-O 3.37Å; E151-R153 PolarHBondContact O-N 3.13Å
154Y90.1Very high81Confident33 Ų3367.3 Ų67.313%0.12931%0.31CS..EExtended strand (participates in β ladder)trans-105.7151.3-170.7-58.9-74.8000111.4V24 K25 D26 V33 Y149 E151V24-Y154 HydrophobicContact CG1-CD1 4Å; V24-Y154 HydrophobicContact CG1-CG 4.21Å; K25-Y154 WeakPolarHBondContact O-CA 3.28Å; D26-Y154 HydrophobicContact CB-CD1 4.36Å; D26-Y154 HydrophobicContact CB-CE1 4.22Å; V33-Y154 HydrophobicContact CG2-CE1 4.29Å; Y149-Y154 AromaticContact CD1-CD1 3.94Å; Y149-Y154 HydrophobicContact CD1-CD1 3.94Å; Y149-Y154 AromaticContact CD1-CD2 3.63Å; Y149-Y154 HydrophobicContact CD1-CD2 3.63Å; Y149-Y154 HydrophobicContact CD1-CE1 4.13Å; Y149-Y154 AromaticContact CD1-CE2 3.81Å; Y149-Y154 HydrophobicContact CD1-CE2 3.81Å; Y149-Y154 AromaticContact CD1-CG 3.68Å; Y149-Y154 HydrophobicContact CD1-CG 3.68Å; Y149-Y154 HydrophobicContact CE1-CD1 4.28Å; Y149-Y154 HydrophobicContact CE1-CD2 4.43Å; Y149-Y154 HydrophobicContact CE1-CE1 4.09Å; Y149-Y154 HydrophobicContact CE1-CE2 4.21Å; Y149-Y154 HydrophobicContact CE1-CG 4.44Å; E151-Y154 PolarHBondContact O-N 3.31Å
155F90.6Very high79.3Confident14 Ų1467.1 Ų67.16%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-133.2154169.364.6-90.2000109.3K25 L27 L54 L81K25-F155 HydrophobicContact CB-CD1 4.3Å; K25-F155 HydrophobicContact CB-CD2 4.04Å; K25-F155 HydrophobicContact CB-CE1 3.71Å; K25-F155 HydrophobicContact CB-CE2 3.42Å; K25-F155 VanDerWaalsContact CB-CE2 3.42Å; K25-F155 HydrophobicContact CB-CG 4.46Å; K25-F155 HydrophobicContact CB-CZ 3.26Å; K25-F155 HydrophobicContact CD-CE2 3.71Å; K25-F155 HydrophobicContact CD-CZ 3.88Å; K25-F155 HydrophobicContact CG-CE2 4.08Å; K25-F155 HydrophobicContact CG-CZ 4.17Å; K25-F155 PolarHBondContact N-O 3Å; K25-F155 WeakPolarHBondContact O-CD1 3.49Å; K25-F155 PolarHBondContact O-N 2.79Å; L27-F155 HydrophobicContact CB-CD1 4.34Å; L27-F155 HydrophobicContact CD1-CD1 3.96Å; L27-F155 HydrophobicContact CD1-CE1 4.23Å; L54-F155 HydrophobicContact CD1-CD2 3.34Å; L54-F155 HydrophobicContact CD1-CE2 3.44Å; L54-F155 VanDerWaalsContact CD1-CE2 3.44Å; L54-F155 HydrophobicContact CD2-CD2 4.44Å; L54-F155 HydrophobicContact CD2-CE2 4.45Å; L54-F155 HydrophobicContact CG-CD2 3.96Å; L54-F155 HydrophobicContact CG-CE2 4.3Å; L81-F155 HydrophobicContact CD1-CB 4.06Å; L81-F155 HydrophobicContact CD1-CG 4.41Å
156V92Very high78.1Confident2 Ų273 Ų731%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-108.7138.1-178.1175.10000109.1L22 L23 V24 L54 G55 I57 I84 I158L22-V156 HydrophobicContact CD1-CG1 3.89Å; L22-V156 HydrophobicContact CD2-CG1 3.48Å; L22-V156 VanDerWaalsContact CD2-CG1 3.48Å; L22-V156 HydrophobicContact CD2-CG2 4.27Å; L22-V156 HydrophobicContact CG-CG1 3.45Å; L22-V156 VanDerWaalsContact CG-CG1 3.45Å; L23-V156 CarbonylContact O-C 3.52Å; L23-V156 VanDerWaalsContact O-CA 3.32Å; L23-V156 WeakPolarHBondContact O-CA 3.35Å; V24-V156 HydrophobicContact CG2-CG2 4.14Å; L54-V156 WeakPolarHBondContact CA-O 3.48Å; G55-V156 PolarHBondContact N-O 3.34Å; G55-V156 PolarHBondContact O-N 3.49Å; I57-V156 HydrophobicContact CB-CG2 3.99Å; I57-V156 HydrophobicContact CD1-CG2 4.27Å; I57-V156 HydrophobicContact CG2-CG2 4.47Å; I84-V156 HydrophobicContact CD1-CB 4.37Å; V156-I158 HydrophobicContact CG1-CG1 4.19Å
157E90.1Very high76.9Confident24 Ų2476 Ų7611%0.11236%0.36CS..EExtended strand (participates in β ladder)trans-118.8113.8172.7-173.9175.1153.300108.5L23 K25 L52 I53 L54 L159L23-E157 HydrophobicContact CB-CB 4.33Å; L23-E157 PolarHBondContact N-O 3.36Å; L23-E157 PolarHBondContact O-N 2.94Å; K25-E157 WeakPolarHBondContact CD-OE2 3.44Å; K25-E157 VanDerWaalsContact CE-OE2 3.27Å; K25-E157 WeakPolarHBondContact CE-OE2 3.43Å; K25-E157 IonicContact NZ-OE1 3.35Å; K25-E157 IonicContact NZ-OE2 3.2Å; K25-E157 PolarHBondContact NZ-OE2 3.3Å; L52-E157 VanDerWaalsContact CD1-CD 3.48Å; L52-E157 HydrophobicContact CD1-CG 3.6Å; L52-E157 WeakPolarHBondContact CD1-OE1 3.3Å; I53-E157 WeakPolarHBondContact O-CA 3.21Å; L54-E157 HydrophobicContact CD1-CB 3.84Å; L54-E157 HydrophobicContact CD1-CG 4.11Å; E157-L159 HydrophobicContact CG-CD2 3.94Å; E157-L159 HydrophobicContact CG-CG 4.31Å; E157-L159 WeakPolarHBondContact OE1-CD2 2.92Å
158I89.6Confident75.8Confident1 Ų175.4 Ų75.41%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-91.4116.5175.6-55.3176.5000107.3L22 V47 I53 I84 A108 V110 V135 V156L22-I158 HydrophobicContact CD1-CG1 4.42Å; V47-I158 HydrophobicContact CG1-CG2 4.44Å; V47-I158 HydrophobicContact CG2-CG2 4.13Å; I53-I158 HydrophobicContact CB-CB 4.13Å; I53-I158 HydrophobicContact CD1-CB 4.45Å; I53-I158 HydrophobicContact CG2-CB 4.31Å; I53-I158 HydrophobicContact CG2-CD1 4.15Å; I53-I158 HydrophobicContact CG2-CG1 4.39Å; I53-I158 PolarHBondContact O-N 3.08Å; I84-I158 HydrophobicContact CD1-CD1 4.33Å; A108-I158 HydrophobicContact CB-CD1 3.94Å; V110-I158 HydrophobicContact CG2-CD1 4.23Å; V135-I158 HydrophobicContact CG1-CG2 3.96Å; V135-I158 HydrophobicContact CG2-CD1 4.09Å; V156-I158 HydrophobicContact CG1-CG1 4.19Å
159L83.6Confident75.1Confident53 Ų5377.5 Ų77.528%0.27736%0.362SS..EExtended strand (participates in β ladder)trans-99.4143.8-177.7-68179.4000111.4V21 L23 E157 T161V21-L159 PolarHBondContact O-N 3.37Å; L23-L159 HydrophobicContact CD1-CD1 3.41Å; L23-L159 VanDerWaalsContact CD1-CD1 3.41Å; L23-L159 HydrophobicContact CD1-CG 4.26Å; L23-L159 HydrophobicContact CG-CD1 4.05Å; E157-L159 HydrophobicContact CG-CD2 3.94Å; E157-L159 HydrophobicContact CG-CG 4.31Å; E157-L159 WeakPolarHBondContact OE1-CD2 2.92Å; L159-T161 PolarHBondContact O-N 2.97Å
160P75.8Confident74.8Confident24 Ų2480.4 Ų80.416%0.15638%0.378CS..PPolyproline II helixtrans-62.8130.8172.626.6-33.6000110V47 Q49 H162 R163V47-P160 HydrophobicContact CG1-CB 4.02Å; V47-P160 VanDerWaalsContact O-CB 3.31Å; V47-P160 WeakPolarHBondContact O-CB 3.33Å; Q49-P160 HydrophobicContact CG-CG 4.49Å; P160-H162 PolarHBondContact O-N 3.26Å; P160-R163 PolarHBondContact O-N 3.36Å
161T64.6Low74.8Confident62 Ų6279.2 Ų79.238%0.3838%0.38SS..THydrogen-bonded Turntrans-47.4-28.916841.50000112.7A20 L159 R163A20-T161 HydrophobicContact CB-CG2 3.32Å; L159-T161 PolarHBondContact O-N 2.97Å; T161-R163 PolarHBondContact O-N 2.94Å
162H55.9Low75.2Confident105 Ų10575.9 Ų75.949%0.48637%0.367SS..THydrogen-bonded Turntrans-80.836.4-176.3-149.4-47.2000114.3Q49 P160 R164Q49-H162 HydrophobicContact CG-CB 4.36Å; Q49-H162 PolarHBondContact NE2-ND1 3.16Å; Q49-H162 VanDerWaalsContact NE2-ND1 3.15Å; Q49-H162 PolarHBondContact NE2-O 2.7Å; P160-H162 PolarHBondContact O-N 3.26Å; H162-R164 PolarHBondContact O-N 3.08Å; H162-R164 VanDerWaalsContact O-N 3.15Å
163R51.7Low75.6Confident224 Ų22476.1 Ų76.185%0.84536%0.361SS*.  trans-79.229155.6-127-167.7-165-153.27.4112.4P160 T161 S165P160-R163 PolarHBondContact O-N 3.36Å; T161-R163 PolarHBondContact O-N 2.94Å; R163-S165 PolarHBondContact O-N 3.15Å
164R52.1Low75.8Confident107 Ų10774 Ų7440%0.40436%0.359SS..  trans-61.883.3160.1-71.6-177.6171.4171.6-0.7108.5H162 I166 Y169H162-R164 PolarHBondContact O-N 3.08Å; H162-R164 VanDerWaalsContact O-N 3.15Å; R164-I166 PolarHBondContact O-N 3.05Å; R164-Y169 HydrophobicContact CB-CE2 4.43Å; R164-Y169 WeakPolarHBondContact CD-OH 3.36Å; R164-Y169 PolarHBondContact NE-OH 3.04Å; R164-Y169 PolarHBondContact NH1-OH 3.3Å
165S59.2Low75.6Confident53 Ų5375.5 Ų75.537%0.37137%0.372SS..  trans-55.5125.8162.559.10000106R163 L167 L168R163-S165 PolarHBondContact O-N 3.15Å; S165-L167 PolarHBondContact O-N 3.39Å; S165-L168 PolarHBondContact O-N 3.01Å
166I67.8Low75.4Confident123 Ų12376.6 Ų76.663%0.63138%0.381SS*.Hα-helixtrans-47.4-25.3172.8-166.9162.8000111.3R164 L168 Y169 L170R164-I166 PolarHBondContact O-N 3.05Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.42Å; I166-Y169 PolarHBondContact O-N 2.9Å; I166-Y169 VanDerWaalsContact O-N 3.12Å; I166-L170 HydrophobicContact CG1-CD1 4.18Å; I166-L170 HydrophobicContact CG1-CG 4.26Å; I166-L170 HydrophobicContact CG2-CD1 4.01Å; I166-L170 VanDerWaalsContact O-CG 3.27Å; I166-L170 WeakPolarHBondContact O-CG 3.25Å; I166-L170 PolarHBondContact O-N 3.5Å
167L68.3Low75.3Confident105 Ų10581 Ų8155%0.5540%0.404SS..Hα-helixtrans-47.1-42.7168.9-56.3176.7000114.2S165 Y169 L170 I171S165-L167 PolarHBondContact O-N 3.39Å; L167-Y169 VanDerWaalsContact C-N 3.28Å; L167-Y169 PolarHBondContact O-N 2.91Å; L167-L170 HydrophobicContact CD2-CD1 4.37Å; L167-L170 PolarHBondContact O-N 3.26Å; L167-L170 VanDerWaalsContact O-N 3.1Å; L167-I171 VanDerWaalsContact O-CG1 3.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.48Å; L167-I171 PolarHBondContact O-N 3.47Å
168L68.6Low75.4Confident105 Ų10585.1 Ų85.155%0.5543%0.426SS..Hα-helixtrans-60.8-35.5179.4-87.8155.8000112.7S165 I166 P172S165-L168 PolarHBondContact O-N 3.01Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.42Å; L168-P172 WeakPolarHBondContact O-CD 3.43Å; L168-P172 WeakPolarHBondContact O-CG 3.32Å
169Y74.1Confident75.5Confident131 Ų13189.2 Ų89.251%0.51445%0.447SS..Hα-helixtrans-84.3-27.9173.8-61.4-76000112.4R164 I166 L167 P172 L173R164-Y169 HydrophobicContact CB-CE2 4.43Å; R164-Y169 WeakPolarHBondContact CD-OH 3.36Å; R164-Y169 PolarHBondContact NE-OH 3.04Å; R164-Y169 PolarHBondContact NH1-OH 3.3Å; I166-Y169 PolarHBondContact O-N 2.9Å; I166-Y169 VanDerWaalsContact O-N 3.12Å; L167-Y169 VanDerWaalsContact C-N 3.28Å; L167-Y169 PolarHBondContact O-N 2.91Å; Y169-P172 WeakPolarHBondContact O-CD 3.31Å; Y169-P172 WeakPolarHBondContact O-CG 3.24Å; Y169-L173 WeakPolarHBondContact O-CB 3.4Å; Y169-L173 PolarHBondContact O-N 3.16Å
170L82Confident75.8Confident62 Ų6289.2 Ų89.233%0.32545%0.451SS..Hα-helixtrans-71.5-34.4177.3-69.1172.5000112.7I166 L167 L173 I174I166-L170 HydrophobicContact CG1-CD1 4.18Å; I166-L170 HydrophobicContact CG1-CG 4.26Å; I166-L170 HydrophobicContact CG2-CD1 4.01Å; I166-L170 VanDerWaalsContact O-CG 3.27Å; I166-L170 WeakPolarHBondContact O-CG 3.25Å; I166-L170 PolarHBondContact O-N 3.5Å; L167-L170 HydrophobicContact CD2-CD1 4.37Å; L167-L170 PolarHBondContact O-N 3.26Å; L167-L170 VanDerWaalsContact O-N 3.1Å; L170-L173 HydrophobicContact CD2-CD2 4.31Å; L170-L173 PolarHBondContact O-N 3.33Å; L170-I174 HydrophobicContact CB-CD1 4.32Å; L170-I174 WeakPolarHBondContact O-CB 3.48Å; L170-I174 WeakPolarHBondContact O-CD1 3.4Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 2.87Å
171I81.1Confident76.6Confident101 Ų10192.4 Ų92.452%0.51847%0.47SS..Hα-helixtrans-58.9-54.9178.1-68.4160.5000112.1L167 L173 I174 T175L167-I171 VanDerWaalsContact O-CG1 3.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.48Å; L167-I171 PolarHBondContact O-N 3.47Å; I171-L173 VanDerWaalsContact C-N 3.27Å; I171-L173 PolarHBondContact O-N 2.98Å; I171-I174 PolarHBondContact O-N 3.28Å; I171-T175 HydrophobicContact CG2-CG2 4.5Å; I171-T175 VanDerWaalsContact O-CG2 3.3Å; I171-T175 WeakPolarHBondContact O-CG2 3.29Å; I171-T175 PolarHBondContact O-N 2.94Å; I171-T175 PolarHBondContact O-OG1 3.13Å
172P81.8Confident78.1Confident39 Ų3993.6 Ų93.625%0.25348%0.477SS..Hα-helixtrans-63.9-32.417723.8-31.8000112.1L168 Y169 T175 C176L168-P172 WeakPolarHBondContact O-CD 3.43Å; L168-P172 WeakPolarHBondContact O-CG 3.32Å; Y169-P172 WeakPolarHBondContact O-CD 3.31Å; Y169-P172 WeakPolarHBondContact O-CG 3.24Å; P172-T175 VanDerWaalsContact CA-OG1 3.25Å; P172-T175 WeakPolarHBondContact CA-OG1 3.49Å; P172-T175 PolarHBondContact O-OG1 2.69Å; P172-C176 VanDerWaalsContact O-CB 3.24Å; P172-C176 WeakPolarHBondContact O-CB 3.19Å; P172-C176 PolarHBondContact O-N 2.86Å
173L84.4Confident79.8Confident94 Ų9491 Ų9149%0.49247%0.474SS..Hα-helixtrans-65.1-48.6174.1-17864.8000112.2Y169 L170 I171 C176 L177Y169-L173 WeakPolarHBondContact O-CB 3.4Å; Y169-L173 PolarHBondContact O-N 3.16Å; L170-L173 HydrophobicContact CD2-CD2 4.31Å; L170-L173 PolarHBondContact O-N 3.33Å; I171-L173 VanDerWaalsContact C-N 3.27Å; I171-L173 PolarHBondContact O-N 2.98Å; L173-C176 WeakPolarHBondContact O-CB 3.38Å; L173-C176 PolarHBondContact O-N 2.91Å; L173-L177 HydrophobicContact CG-CD1 4.37Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.39Å
174I88.1Confident81.8Confident91 Ų9186.3 Ų86.347%0.46747%0.465SS..Hα-helixtrans-63.5-44.9179.4-70.3165.2000110.3L170 I171 C176 L177 L178L170-I174 HydrophobicContact CB-CD1 4.32Å; L170-I174 WeakPolarHBondContact O-CB 3.48Å; L170-I174 WeakPolarHBondContact O-CD1 3.4Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 2.87Å; I171-I174 PolarHBondContact O-N 3.28Å; I174-C176 PolarHBondContact O-N 3.26Å; I174-L177 PolarHBondContact O-N 3.48Å; I174-L178 HydrophobicContact CG2-CD1 4.09Å; I174-L178 HydrophobicContact CG2-CG 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.27Å; I174-L178 PolarHBondContact O-N 3.43Å
175T86.4Confident83.8Confident66 Ų6684.5 Ų84.541%0.40547%0.469SS..Hα-helixtrans-62.1-42.2177.554.70000111.9I171 P172 L178 I179I171-T175 HydrophobicContact CG2-CG2 4.5Å; I171-T175 VanDerWaalsContact O-CG2 3.3Å; I171-T175 WeakPolarHBondContact O-CG2 3.29Å; I171-T175 PolarHBondContact O-N 2.94Å; I171-T175 PolarHBondContact O-OG1 3.13Å; P172-T175 VanDerWaalsContact CA-OG1 3.25Å; P172-T175 WeakPolarHBondContact CA-OG1 3.49Å; P172-T175 PolarHBondContact O-OG1 2.69Å; T175-L178 PolarHBondContact O-N 3.39Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 2.82Å
176C86.4Confident85.5Confident36 Ų3685.9 Ų85.924%0.24348%0.475CS..Hα-helixtrans-59-47.3173.1-179.40000112.2L8 P172 L173 I174 L178 I179 S180L8-C176 WeakPolarHBondContact CD1-SG 3.47Å; L8-C176 HydrophobicContact CD2-CB 3.56Å; L8-C176 WeakPolarHBondContact CD2-SG 3.37Å; P172-C176 VanDerWaalsContact O-CB 3.24Å; P172-C176 WeakPolarHBondContact O-CB 3.19Å; P172-C176 PolarHBondContact O-N 2.86Å; L173-C176 WeakPolarHBondContact O-CB 3.38Å; L173-C176 PolarHBondContact O-N 2.91Å; I174-C176 PolarHBondContact O-N 3.26Å; C176-L178 PolarHBondContact O-N 2.91Å; C176-I179 PolarHBondContact O-N 3.49Å; C176-S180 PolarHBondContact O-N 3.09Å
177L90.4Very high86.7Confident96 Ų9682.1 Ų82.150%0.50346%0.462SS..Hα-helixtrans-61.6-44.7177.9-71175.4000111.7L173 I174 I179 S180 V181L173-L177 HydrophobicContact CG-CD1 4.37Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.39Å; I174-L177 PolarHBondContact O-N 3.48Å; L177-I179 PolarHBondContact O-N 3.46Å; L177-S180 PolarHBondContact O-N 3.23Å; L177-S180 PolarHBondContact O-OG 2.9Å; L177-V181 WeakPolarHBondContact O-CG2 3.29Å; L177-V181 PolarHBondContact O-N 3.39Å
178L91.8Very high87.9Confident109 Ų10985 Ų8557%0.57147%0.467SS*.Hα-helixtrans-61.2-44.1177.2-71.7177.2000112.2I174 T175 C176 S180 V181 V182I174-L178 HydrophobicContact CG2-CD1 4.09Å; I174-L178 HydrophobicContact CG2-CG 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.27Å; I174-L178 PolarHBondContact O-N 3.43Å; T175-L178 PolarHBondContact O-N 3.39Å; C176-L178 PolarHBondContact O-N 2.91Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.42Å; L178-V181 PolarHBondContact O-N 3.34Å; L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 3.22Å
179I90.6Very high89.1Confident88 Ų8881.2 Ų81.245%0.45145%0.454SS..Hα-helixtrans-61-41.8176.6-68.2166.2000110.6L4 T175 C176 L177 V182 A183L4-I179 HydrophobicContact CD2-CG2 4.03Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 2.82Å; C176-I179 PolarHBondContact O-N 3.49Å; L177-I179 PolarHBondContact O-N 3.46Å; I179-V182 PolarHBondContact O-N 3.02Å; I179-A183 WeakPolarHBondContact O-CB 3.3Å; I179-A183 PolarHBondContact O-N 3.36Å
180S90.2Very high90Very high52 Ų5279.3 Ų79.336%0.36445%0.451SS..Hα-helixtrans-63.6-42.8178.7800000112.3C176 L177 L178 A183 L184C176-S180 PolarHBondContact O-N 3.09Å; L177-S180 PolarHBondContact O-N 3.23Å; L177-S180 PolarHBondContact O-OG 2.9Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.42Å; S180-A183 PolarHBondContact O-N 2.98Å; S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.39Å; S180-L184 PolarHBondContact O-N 3.33Å
181V94.2Very high90.5Very high91 Ų9185.6 Ų85.655%0.55247%0.471SS*.Hα-helixtrans-65.7-41.9177.7171.90000111.1L177 L178 L184 S185L177-V181 WeakPolarHBondContact O-CG2 3.29Å; L177-V181 PolarHBondContact O-N 3.39Å; L178-V181 PolarHBondContact O-N 3.34Å; V181-L184 PolarHBondContact O-N 3.31Å; V181-S185 WeakPolarHBondContact O-CB 3.33Å; V181-S185 PolarHBondContact O-N 3.02Å; V181-S185 PolarHBondContact O-OG 3.41Å
182V94.3Very high91Very high87 Ų8786.2 Ų86.253%0.52747%0.47SS..Hα-helixtrans-63.7-44.3175.6173.40000110.8L178 I179 L184 S185 V186L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 3.22Å; I179-V182 PolarHBondContact O-N 3.02Å; V182-L184 PolarHBondContact O-N 2.96Å; V182-S185 PolarHBondContact O-N 3.42Å; V182-S185 PolarHBondContact O-OG 3.47Å; V182-V186 HydrophobicContact CG1-CG2 4.43Å; V182-V186 VanDerWaalsContact O-CG2 3.31Å; V182-V186 WeakPolarHBondContact O-CG2 3.48Å; V182-V186 PolarHBondContact O-N 3.02Å
183A92.4Very high91.4Very high52 Ų5288.7 Ų88.743%0.4348%0.48SS..Hα-helixtrans-61.8-42177.400000112.3I179 S180 A187I179-A183 WeakPolarHBondContact O-CB 3.3Å; I179-A183 PolarHBondContact O-N 3.36Å; S180-A183 PolarHBondContact O-N 2.98Å; A183-A187 WeakPolarHBondContact O-CB 3.12Å; A183-A187 PolarHBondContact O-N 3.03Å
184L94.5Very high91.6Very high125 Ų12588.4 Ų88.465%0.65448%0.479SS*.Hα-helixtrans-66.8-41.8176.8-71175.3000112.2S180 V181 V182 A187 Y188S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.39Å; S180-L184 PolarHBondContact O-N 3.33Å; V181-L184 PolarHBondContact O-N 3.31Å; V182-L184 PolarHBondContact O-N 2.96Å; L184-A187 PolarHBondContact O-N 2.99Å; L184-Y188 VanDerWaalsContact O-CB 3.32Å; L184-Y188 WeakPolarHBondContact O-CB 3.41Å; L184-Y188 PolarHBondContact O-N 3.09Å
185S93.8Very high91.5Very high68 Ų6891.8 Ų91.848%0.47649%0.486SS..Hα-helixtrans-66-39177.769.90000112.2V181 V182 Y188 G189V181-S185 WeakPolarHBondContact O-CB 3.33Å; V181-S185 PolarHBondContact O-N 3.02Å; V181-S185 PolarHBondContact O-OG 3.41Å; V182-S185 PolarHBondContact O-N 3.42Å; V182-S185 PolarHBondContact O-OG 3.47Å; S185-Y188 PolarHBondContact O-N 3.16Å; S185-G189 PolarHBondContact O-N 3.36Å
186V94.6Very high91.4Very high82 Ų8293.8 Ų93.850%0.49749%0.487SS..Hα-helixtrans-64.9-45.9173.2171.50000110.8V182 Y188 G189 I190V182-V186 HydrophobicContact CG1-CG2 4.43Å; V182-V186 VanDerWaalsContact O-CG2 3.31Å; V182-V186 WeakPolarHBondContact O-CG2 3.48Å; V182-V186 PolarHBondContact O-N 3.02Å; V186-Y188 VanDerWaalsContact C-N 3.33Å; V186-Y188 PolarHBondContact O-N 2.88Å; V186-G189 PolarHBondContact O-N 3.36Å; V186-I190 HydrophobicContact CG1-CD1 3.81Å; V186-I190 HydrophobicContact CG1-CG1 4.41Å; V186-I190 VanDerWaalsContact O-CG1 3.26Å; V186-I190 WeakPolarHBondContact O-CG1 3.46Å; V186-I190 PolarHBondContact O-N 3.01Å
187A93Very high91.3Very high45 Ų4598.2 Ų98.237%0.37250%0.499SS..Hα-helixtrans-61.2-42.717700000111.8A183 L184 I190 R191A183-A187 WeakPolarHBondContact O-CB 3.12Å; A183-A187 PolarHBondContact O-N 3.03Å; L184-A187 PolarHBondContact O-N 2.99Å; A187-I190 PolarHBondContact O-N 2.99Å; A187-R191 WeakPolarHBondContact O-CG 3.39Å; A187-R191 PolarHBondContact O-N 3.05Å
188Y93.9Very high90.8Very high165 Ų165101.8 Ų101.865%0.64751%0.505SS*.Hα-helixtrans-64-44.8174.8-175-101.3000111.7L184 S185 V186 I190 R191 F192L184-Y188 VanDerWaalsContact O-CB 3.32Å; L184-Y188 WeakPolarHBondContact O-CB 3.41Å; L184-Y188 PolarHBondContact O-N 3.09Å; S185-Y188 PolarHBondContact O-N 3.16Å; V186-Y188 VanDerWaalsContact C-N 3.33Å; V186-Y188 PolarHBondContact O-N 2.88Å; Y188-I190 PolarHBondContact O-N 2.77Å; Y188-R191 PolarHBondContact O-N 2.65Å; Y188-F192 WeakPolarHBondContact O-CB 3.36Å; Y188-F192 PolarHBondContact O-N 3.29Å
189G93.5Very high90Very high26 Ų26104 Ų10427%0.26851%0.506SS..Hα-helixtrans-59.5-44175.500000112.6S185 V186 F192 L193S185-G189 PolarHBondContact O-N 3.36Å; V186-G189 PolarHBondContact O-N 3.36Å; G189-F192 PolarHBondContact O-N 3.07Å; G189-L193 WeakPolarHBondContact O-CB 3.27Å; G189-L193 VanDerWaalsContact O-CG 3.23Å; G189-L193 WeakPolarHBondContact O-CG 3.32Å; G189-L193 PolarHBondContact O-N 2.97Å
190I93.3Very high89Confident90 Ų90107 Ų10746%0.46251%0.513SS..Hα-helixtrans-61.4-46.4174.4-68.6165.7000110.5V186 A187 Y188 F192 L193 N194V186-I190 HydrophobicContact CG1-CD1 3.81Å; V186-I190 HydrophobicContact CG1-CG1 4.41Å; V186-I190 VanDerWaalsContact O-CG1 3.26Å; V186-I190 WeakPolarHBondContact O-CG1 3.46Å; V186-I190 PolarHBondContact O-N 3.01Å; A187-I190 PolarHBondContact O-N 2.99Å; Y188-I190 PolarHBondContact O-N 2.77Å; I190-F192 PolarHBondContact O-N 2.8Å; I190-L193 PolarHBondContact O-N 2.91Å; I190-N194 VanDerWaalsContact O-CB 3.3Å; I190-N194 WeakPolarHBondContact O-CB 3.32Å; I190-N194 PolarHBondContact O-N 3.13Å; I190-N194 PolarHBondContact O-ND2 3.33Å
191R91.6Very high88.3Confident195 Ų195113.9 Ų113.974%0.73653%0.531SS*.Hα-helixtrans-61.6-43.1177-78.1-176.5172.3164.4-1.1111.9A187 Y188 N194 R195A187-R191 WeakPolarHBondContact O-CG 3.39Å; A187-R191 PolarHBondContact O-N 3.05Å; Y188-R191 PolarHBondContact O-N 2.65Å; R191-N194 PolarHBondContact O-N 3.11Å; R191-R195 WeakPolarHBondContact O-CB 3.35Å; R191-R195 PolarHBondContact O-N 3.43Å
192F91.8Very high87.4Confident114 Ų114115.6 Ų115.650%0.553%0.528SS..Hα-helixtrans-63.3-49177.4-178.1-97.4000111.6Y188 G189 I190 N194 R195 Y196Y188-F192 WeakPolarHBondContact O-CB 3.36Å; Y188-F192 PolarHBondContact O-N 3.29Å; G189-F192 PolarHBondContact O-N 3.07Å; I190-F192 PolarHBondContact O-N 2.8Å; F192-N194 VanDerWaalsContact C-N 3.29Å; F192-N194 PolarHBondContact O-N 3.44Å; F192-R195 WeakPolarHBondContact O-CB 3.31Å; F192-R195 PolarHBondContact O-N 2.97Å; F192-R195 VanDerWaalsContact O-N 3.17Å; F192-Y196 WeakPolarHBondContact O-CB 3.31Å; F192-Y196 PolarHBondContact O-N 3.35Å
193L90.7Very high86.8Confident90 Ų90113 Ų11347%0.47151%0.514SS..Hα-helixtrans-62-37.3176.4-71.3174.9000111.9G189 I190 Y196 R197G189-L193 WeakPolarHBondContact O-CB 3.27Å; G189-L193 VanDerWaalsContact O-CG 3.23Å; G189-L193 WeakPolarHBondContact O-CG 3.32Å; G189-L193 PolarHBondContact O-N 2.97Å; I190-L193 PolarHBondContact O-N 2.91Å; L193-Y196 PolarHBondContact O-N 2.93Å; L193-R197 WeakPolarHBondContact O-CB 3.34Å; L193-R197 WeakPolarHBondContact O-CG 3.17Å; L193-R197 PolarHBondContact O-N 2.85Å
194N88.5Confident86.3Confident88 Ų88111 Ų11147%0.47150%0.496SS..Hα-helixtrans-66.5-42.7174.8-76.1-18.6000111.4I190 R191 F192 R197 R198I190-N194 VanDerWaalsContact O-CB 3.3Å; I190-N194 WeakPolarHBondContact O-CB 3.32Å; I190-N194 PolarHBondContact O-N 3.13Å; I190-N194 PolarHBondContact O-ND2 3.33Å; R191-N194 PolarHBondContact O-N 3.11Å; F192-N194 VanDerWaalsContact C-N 3.29Å; F192-N194 PolarHBondContact O-N 3.44Å; N194-R197 PolarHBondContact O-N 3.35Å; N194-R198 VanDerWaalsContact O-CB 3.22Å; N194-R198 WeakPolarHBondContact O-CB 3.26Å; N194-R198 PolarHBondContact O-N 2.97Å
195R87Confident85.8Confident162 Ų162108.7 Ų108.761%0.61149%0.488SS*.Hα-helixtrans-61.3-44.9174.1-171.1177.6-172.8179.73.1111.3R191 F192 R198 R199R191-R195 WeakPolarHBondContact O-CB 3.35Å; R191-R195 PolarHBondContact O-N 3.43Å; F192-R195 WeakPolarHBondContact O-CB 3.31Å; F192-R195 PolarHBondContact O-N 2.97Å; F192-R195 VanDerWaalsContact O-N 3.17Å; R195-R198 PolarHBondContact O-N 2.95Å; R195-R199 PolarHBondContact O-N 2.91Å; R195-R199 VanDerWaalsContact O-N 3.09Å
196Y83Confident85.4Confident108 Ų108107.9 Ų107.942%0.42449%0.486SS..Hα-helixtrans-62.1-52.8176.3-171.3-94.6000110.8F192 L193 R198 R199 Y200F192-Y196 WeakPolarHBondContact O-CB 3.31Å; F192-Y196 PolarHBondContact O-N 3.35Å; L193-Y196 PolarHBondContact O-N 2.93Å; Y196-R198 VanDerWaalsContact C-N 3.27Å; Y196-R198 PolarHBondContact O-N 3.21Å; Y196-R199 PolarHBondContact O-N 3.41Å; Y196-R199 VanDerWaalsContact O-N 3.11Å; Y196-Y200 AromaticContact CD1-CD2 3.77Å; Y196-Y200 HydrophobicContact CD1-CD2 3.77Å; Y196-Y200 AromaticContact CD1-CE2 3.92Å; Y196-Y200 HydrophobicContact CD1-CE2 3.92Å; Y196-Y200 HydrophobicContact CD2-CD2 4.33Å; Y196-Y200 AromaticContact CD2-CE2 3.89Å; Y196-Y200 HydrophobicContact CD2-CE2 3.89Å; Y196-Y200 AromaticContact CE1-CD2 3.54Å; Y196-Y200 HydrophobicContact CE1-CD2 3.54Å; Y196-Y200 AromaticContact CE1-CE2 3.36Å; Y196-Y200 HydrophobicContact CE1-CE2 3.36Å; Y196-Y200 HydrophobicContact CE1-CG 4.4Å; Y196-Y200 HydrophobicContact CE2-CD2 4.14Å; Y196-Y200 AromaticContact CE2-CE2 3.33Å; Y196-Y200 HydrophobicContact CE2-CE2 3.33Å; Y196-Y200 HydrophobicContact CG-CD2 4.17Å; Y196-Y200 HydrophobicContact CG-CE2 4.17Å; Y196-Y200 AromaticContact CZ-CD2 3.75Å; Y196-Y200 AromaticContact CZ-CE2 3.03Å; Y196-Y200 AromaticContact CZ-CZ 3.54Å; Y196-Y200 WeakPolarHBondContact O-CD2 3.25Å; Y196-Y200 PolarHBondContact O-N 3.35Å; Y196-Y200 VanDerWaalsContact O-N 3.08Å; Y196-Y200 VanDerWaalsContact OH-CE2 3.32Å; Y196-Y200 WeakPolarHBondContact OH-CE2 3.44Å; Y196-Y200 VanDerWaalsContact OH-CZ 3.25Å; Y196-Y200 PolarHBondContact OH-OH 2.85Å
197R84.1Confident85Confident130 Ų130112.1 Ų112.149%0.49150%0.498SS..Hα-helixtrans-56.4-40.2176.3-77.3174.6173.1-172.40.5112.1L193 N194 Y200 R201L193-R197 WeakPolarHBondContact O-CB 3.34Å; L193-R197 WeakPolarHBondContact O-CG 3.17Å; L193-R197 PolarHBondContact O-N 2.85Å; N194-R197 PolarHBondContact O-N 3.35Å; R197-Y200 PolarHBondContact O-N 2.96Å; R197-R201 WeakPolarHBondContact O-CG 3.41Å; R197-R201 PolarHBondContact O-N 3.21Å
198R79.8Confident84.6Confident170 Ų170112.1 Ų112.164%0.64249%0.49SS*.Hα-helixtrans-62.9-44.3178.4-164.6169.4-171.6-165.52110.7N194 R195 Y196 Y200 R201 Y202N194-R198 VanDerWaalsContact O-CB 3.22Å; N194-R198 WeakPolarHBondContact O-CB 3.26Å; N194-R198 PolarHBondContact O-N 2.97Å; R195-R198 PolarHBondContact O-N 2.95Å; Y196-R198 VanDerWaalsContact C-N 3.27Å; Y196-R198 PolarHBondContact O-N 3.21Å; R198-Y200 PolarHBondContact O-N 3.04Å; R198-R201 PolarHBondContact O-N 2.91Å; R198-Y202 HydrophobicContact CG-CD2 4.36Å; R198-Y202 HydrophobicContact CG-CE2 3.57Å; R198-Y202 WeakPolarHBondContact O-CD2 3.47Å; R198-Y202 WeakPolarHBondContact O-CE2 3.28Å
199R74.7Confident84.3Confident157 Ų157104.7 Ų104.759%0.59246%0.461SS*.Hα-helixtrans-59.8-45.5174.2-73.7-179.7175.4165.8-3.2112.8R195 Y196 R201 C203R195-R199 PolarHBondContact O-N 2.91Å; R195-R199 VanDerWaalsContact O-N 3.09Å; Y196-R199 PolarHBondContact O-N 3.41Å; Y196-R199 VanDerWaalsContact O-N 3.11Å; R199-R201 PolarHBondContact O-N 2.93Å; R199-C203 PolarHBondContact O-SG 3.47Å; R199-C203 VanDerWaalsContact O-SG 3.41Å
200Y71.4Confident83.9Confident151 Ų151113.5 Ų113.559%0.59249%0.486SS*.Hα-helixtrans-72.2-23.1-178.3-83.3-92.8000114.5Y196 R197 R198Y196-Y200 AromaticContact CD1-CD2 3.77Å; Y196-Y200 HydrophobicContact CD1-CD2 3.77Å; Y196-Y200 AromaticContact CD1-CE2 3.92Å; Y196-Y200 HydrophobicContact CD1-CE2 3.92Å; Y196-Y200 HydrophobicContact CD2-CD2 4.33Å; Y196-Y200 AromaticContact CD2-CE2 3.89Å; Y196-Y200 HydrophobicContact CD2-CE2 3.89Å; Y196-Y200 AromaticContact CE1-CD2 3.54Å; Y196-Y200 HydrophobicContact CE1-CD2 3.54Å; Y196-Y200 AromaticContact CE1-CE2 3.36Å; Y196-Y200 HydrophobicContact CE1-CE2 3.36Å; Y196-Y200 HydrophobicContact CE1-CG 4.4Å; Y196-Y200 HydrophobicContact CE2-CD2 4.14Å; Y196-Y200 AromaticContact CE2-CE2 3.33Å; Y196-Y200 HydrophobicContact CE2-CE2 3.33Å; Y196-Y200 HydrophobicContact CG-CD2 4.17Å; Y196-Y200 HydrophobicContact CG-CE2 4.17Å; Y196-Y200 AromaticContact CZ-CD2 3.75Å; Y196-Y200 AromaticContact CZ-CE2 3.03Å; Y196-Y200 AromaticContact CZ-CZ 3.54Å; Y196-Y200 WeakPolarHBondContact O-CD2 3.25Å; Y196-Y200 PolarHBondContact O-N 3.35Å; Y196-Y200 VanDerWaalsContact O-N 3.08Å; Y196-Y200 VanDerWaalsContact OH-CE2 3.32Å; Y196-Y200 WeakPolarHBondContact OH-CE2 3.44Å; Y196-Y200 VanDerWaalsContact OH-CZ 3.25Å; Y196-Y200 PolarHBondContact OH-OH 2.85Å; R197-Y200 PolarHBondContact O-N 2.96Å; R198-Y200 PolarHBondContact O-N 3.04Å
201R75.5Confident83.7Confident195 Ų195116 Ų11674%0.73649%0.494SS*.Hα-helixtrans-73.5-27.7-179.8-82.4-174.8-169.6172.43.6113.8R197 R198 R199R197-R201 WeakPolarHBondContact O-CG 3.41Å; R197-R201 PolarHBondContact O-N 3.21Å; R198-R201 PolarHBondContact O-N 2.91Å; R199-R201 PolarHBondContact O-N 2.93Å
202Y73.8Confident83.5Confident127 Ų127107.5 Ų107.550%0.49846%0.463SS..Hα-helixtrans-96.4-16.5-174.1-60.7-64.7000113.7R198 R262 G263R198-Y202 HydrophobicContact CG-CD2 4.36Å; R198-Y202 HydrophobicContact CG-CE2 3.57Å; R198-Y202 WeakPolarHBondContact O-CD2 3.47Å; R198-Y202 WeakPolarHBondContact O-CE2 3.28Å; Y202-R262 CarbonylContact O-C 3.54Å; Y202-R262 WeakPolarHBondContact O-CA 3.45Å; Y202-G263 PolarHBondContact O-N 3.32Å
203C82.5Confident83.2Confident32 Ų32106.2 Ų106.222%0.21647%0.466CS..SBendtrans-91.6150.2-179.2-56.90000111.5R199 L259R199-C203 PolarHBondContact O-SG 3.47Å; R199-C203 VanDerWaalsContact O-SG 3.41Å; C203-L259 VanDerWaalsContact CB-O 3.28Å; C203-L259 WeakPolarHBondContact CB-O 3.5Å; C203-L259 PolarHBondContact SG-O 2.89Å
204L81.7Confident83.1Confident11 Ų11106.6 Ų106.66%0.05847%0.465CS..PPolyproline II helixtrans-78.6127.8171.2-170.969000108.7E208 L209 I212 L258 L259 V272 H273L204-E208 HydrophobicContact CD1-CB 3.72Å; L204-E208 HydrophobicContact CD2-CB 4.44Å; L204-E208 HydrophobicContact CG-CB 3.91Å; L204-L209 HydrophobicContact CD2-CB 4.04Å; L204-L209 HydrophobicContact CD2-CD1 4.13Å; L204-I212 HydrophobicContact CD2-CD1 3.96Å; L204-L258 HydrophobicContact CB-CB 4.21Å; L204-L258 HydrophobicContact CD2-CB 4.38Å; L204-L258 HydrophobicContact CD2-CD1 4.24Å; L204-L258 PolarHBondContact N-O 2.97Å; L204-L259 WeakPolarHBondContact O-CD2 3.2Å; L204-V272 HydrophobicContact CD2-CG1 3.99Å; L204-H273 HydrophobicContact CD1-CB 3.87Å
205P83.4Confident83.1Confident76 Ų76105.6 Ų105.649%0.49446%0.463SS..PPolyproline II helixtrans-58.6140.6173.1-22.933.2000111K207 E208 L209P205-K207 PolarHBondContact O-N 3.49Å; P205-K207 VanDerWaalsContact O-N 3.08Å; P205-E208 HydrophobicContact CB-CG 4.37Å; P205-E208 HydrophobicContact CG-CG 4.36Å; P205-E208 WeakPolarHBondContact O-CA 3.4Å; P205-E208 WeakPolarHBondContact O-CB 3.47Å; P205-E208 PolarHBondContact O-N 3.34Å; P205-L209 PolarHBondContact O-N 2.8Å; P205-L209 VanDerWaalsContact O-N 3.11Å
206A85.3Confident83.2Confident51 Ų51103.2 Ų103.242%0.42146%0.461SS..Hα-helixtrans-56-31.3-179.900000113.5E208 L209 R210 L259A206-E208 VanDerWaalsContact C-N 3.29Å; A206-E208 PolarHBondContact O-N 3.2Å; A206-L209 PolarHBondContact O-N 2.99Å; A206-R210 WeakPolarHBondContact O-CG 3.09Å; A206-R210 PolarHBondContact O-N 3.26Å; A206-R210 VanDerWaalsContact O-N 3.16Å; A206-L259 HydrophobicContact CB-CD2 3.98Å
207K86.1Confident83.5Confident172 Ų17298.7 Ų98.775%0.74844%0.444SS*.Hα-helixtrans-62.6-34.5174-62.9-173.1179.8-172.90113P205P205-K207 PolarHBondContact O-N 3.49Å; P205-K207 VanDerWaalsContact O-N 3.08Å
208E85.8Confident83.5Confident44 Ų4495.7 Ų95.721%0.20644%0.44CS..Hα-helixtrans-80.4-34.6177.7-68.1-57.5143.700111.7L204 P205 A206 R210 K211 H273L204-E208 HydrophobicContact CD1-CB 3.72Å; L204-E208 HydrophobicContact CD2-CB 4.44Å; L204-E208 HydrophobicContact CG-CB 3.91Å; P205-E208 HydrophobicContact CB-CG 4.37Å; P205-E208 HydrophobicContact CG-CG 4.36Å; P205-E208 WeakPolarHBondContact O-CA 3.4Å; P205-E208 WeakPolarHBondContact O-CB 3.47Å; P205-E208 PolarHBondContact O-N 3.34Å; A206-E208 VanDerWaalsContact C-N 3.29Å; A206-E208 PolarHBondContact O-N 3.2Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3.47Å; E208-K211 PolarHBondContact O-N 2.85Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 3.46Å; E208-K211 WeakPolarHBondContact OE2-CD 3.38Å; E208-K211 IonicContact OE2-NZ 3.38Å; E208-K211 PolarHBondContact OE2-NZ 3.44Å; E208-H273 IonicContact OE1-CE1 3.77Å; E208-H273 IonicContact OE2-CE1 3.79Å; E208-H273 PolarHBondContact OE2-CE1 3.05Å; E208-H273 IonicContact OE2-ND1 3.42Å; E208-H273 PolarHBondContact OE2-ND1 3.41Å; E208-H273 VanDerWaalsContact OE2-ND1 3.08Å
209L87.3Confident83.5Confident9 Ų995.1 Ų95.15%0.04744%0.442CS..Hα-helixtrans-58.7-44173.7-177.669.3000111.6L204 P205 A206 K211 I212 D255 L258 L259L204-L209 HydrophobicContact CD2-CB 4.04Å; L204-L209 HydrophobicContact CD2-CD1 4.13Å; P205-L209 PolarHBondContact O-N 2.8Å; P205-L209 VanDerWaalsContact O-N 3.11Å; A206-L209 PolarHBondContact O-N 2.99Å; L209-K211 PolarHBondContact O-N 2.85Å; L209-K211 VanDerWaalsContact O-N 3.14Å; L209-I212 HydrophobicContact CD1-CD1 4.24Å; L209-I212 WeakPolarHBondContact O-CB 3.26Å; L209-I212 PolarHBondContact O-N 3.21Å; L209-D255 HydrophobicContact CD2-CB 3.89Å; L209-L258 HydrophobicContact CD1-CB 4.27Å; L209-L258 HydrophobicContact CD1-CD1 3.59Å; L209-L259 HydrophobicContact CB-CD2 4.29Å; L209-L259 HydrophobicContact CD2-CD1 3.66Å; L209-L259 HydrophobicContact CD2-CD2 3.79Å; L209-L259 HydrophobicContact CD2-CG 3.69Å
210R85.9Confident83.5Confident212 Ų21295.1 Ų95.180%0.845%0.454SS*.THydrogen-bonded Turntrans-62.3-18.3179.4-70.8179-170.3-177.61.5114.3A206 E208 I212A206-R210 WeakPolarHBondContact O-CG 3.09Å; A206-R210 PolarHBondContact O-N 3.26Å; A206-R210 VanDerWaalsContact O-N 3.16Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3.47Å; R210-I212 VanDerWaalsContact C-N 3.33Å
211K87.2Confident83.6Confident143 Ų14392.5 Ų92.562%0.62246%0.457SS*.THydrogen-bonded Turntrans-82.2-13.8177-64.2176.3-175.1170.80112.9E208 L209E208-K211 PolarHBondContact O-N 2.85Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 3.46Å; E208-K211 WeakPolarHBondContact OE2-CD 3.38Å; E208-K211 IonicContact OE2-NZ 3.38Å; E208-K211 PolarHBondContact OE2-NZ 3.44Å; L209-K211 PolarHBondContact O-N 2.85Å; L209-K211 VanDerWaalsContact O-N 3.14Å
212I87.5Confident83.4Confident16 Ų1685.1 Ų85.18%0.08244%0.436CS..SBendtrans-81.7125.7-179.2-55.1175.9000107.9L204 L209 R210 R241 V242 L243 L258 V272L204-I212 HydrophobicContact CD2-CD1 3.96Å; L209-I212 HydrophobicContact CD1-CD1 4.24Å; L209-I212 WeakPolarHBondContact O-CB 3.26Å; L209-I212 PolarHBondContact O-N 3.21Å; R210-I212 VanDerWaalsContact C-N 3.33Å; I212-R241 HydrophobicContact CB-CG 4.24Å; I212-R241 HydrophobicContact CG2-CG 3.56Å; I212-R241 PolarHBondContact O-NH1 3.22Å; I212-V242 WeakPolarHBondContact CG2-O 3.24Å; I212-L243 HydrophobicContact CD1-CD2 4.18Å; I212-L243 HydrophobicContact CG2-CD2 4.47Å; I212-L258 HydrophobicContact CD1-CD1 4.47Å; I212-V272 HydrophobicContact CD1-CG1 3.23Å; I212-V272 HydrophobicContact CG1-CG1 4.37Å
213P85.4Confident83.6Confident87 Ų8787.5 Ų87.557%0.56545%0.452SS*.  trans-62.4143.9-176.726-34.2000111.8
214E89.1Confident83.5Confident97 Ų9789.2 Ų89.245%0.45346%0.456SS..EExtended strand (participates in β ladder)trans-107.3133.5167.5-65.4-177.1-149.500108.7L240 R241 S251E214-L240 CarbonylContact C-O 3.15Å; E214-L240 WeakPolarHBondContact CA-O 3.09Å; E214-R241 VanDerWaalsContact CG-NH1 3.35Å; E214-R241 IonicContact OE1-CZ 3.96Å; E214-R241 IonicContact OE1-NH1 3.92Å; E214-R241 PolarHBondContact OE1-NH1 2.92Å; E214-R241 IonicContact OE1-NH2 3.74Å; E214-R241 PolarHBondContact OE1-NH2 2.93Å; E214-S251 PolarHBondContact OE2-OG 3.12Å
215T88.1Confident83.7Confident68 Ų6896.2 Ų96.242%0.41749%0.488SS..EExtended strand (participates in β ladder)trans-118.5149.7176.956.50000109.2L240T215-L240 PolarHBondContact N-O 3.42Å; T215-L240 PolarHBondContact O-N 3.01Å
216L90Very high84.1Confident112 Ų11295.6 Ų95.659%0.58648%0.483SS*.EExtended strand (participates in β ladder)trans-87.3135.6170.4-64176.8000108.8N238 K239L216-N238 WeakPolarHBondContact CA-O 3.3Å; L216-K239 HydrophobicContact CD2-CG 3.74Å
217F88.2Confident84.6Confident13 Ų1393.2 Ų93.26%0.05746%0.463CS..  trans-71.1134.8173.9-177.6-96.7000110.6K219 S222 F224 Y234 K235 G237 N238 L240F217-K219 HydrophobicContact CE1-CB 4.31Å; F217-S222 WeakPolarHBondContact CD2-OG 3.23Å; F217-S222 WeakPolarHBondContact CE2-OG 3.35Å; F217-S222 WeakPolarHBondContact CZ-OG 3.44Å; F217-F224 VanDerWaalsContact CE2-O 3.29Å; F217-F224 WeakPolarHBondContact CE2-O 3.49Å; F217-Y234 VanDerWaalsContact CD2-CB 3.42Å; F217-Y234 HydrophobicContact CD2-CD2 4.05Å; F217-Y234 AromaticContact CD2-CG 3.93Å; F217-Y234 HydrophobicContact CD2-CG 3.93Å; F217-Y234 WeakPolarHBondContact CE1-O 3.26Å; F217-Y234 AromaticContact CE2-CD2 3.86Å; F217-Y234 HydrophobicContact CE2-CD2 3.86Å; F217-Y234 HydrophobicContact CE2-CG 4Å; F217-Y234 HydrophobicContact CG-CG 4.38Å; F217-K235 VanDerWaalsContact CD1-C 3.46Å; F217-K235 VanDerWaalsContact CD1-O 3.31Å; F217-K235 WeakPolarHBondContact CD1-O 3.34Å; F217-G237 PolarHBondContact O-N 3.43Å; F217-N238 HydrophobicContact CB-CB 4.23Å; F217-N238 PolarHBondContact N-O 3.43Å; F217-L240 HydrophobicContact CB-CD1 3.81Å; F217-L240 HydrophobicContact CB-CG 4.03Å; F217-L240 HydrophobicContact CD2-CD1 3.72Å; F217-L240 HydrophobicContact CG-CD1 4.22Å
218T84.5Confident84.9Confident66 Ų6687.2 Ų87.241%0.40545%0.446SS..  trans-136.3124.3169.2-550000107.2D220 S221 S222 D236T218-D220 PolarHBondContact O-N 3.09Å; T218-S221 PolarHBondContact O-N 3.47Å; T218-S221 PolarHBondContact O-OG 2.82Å; T218-S222 PolarHBondContact O-OG 3.39Å; T218-D236 WeakPolarHBondContact CA-OD1 3.35Å
219K80Confident85.2Confident158 Ų15887.9 Ų87.969%0.68745%0.45SS*.THydrogen-bonded Turntrans-52.9-27.9-171-168.2175-179.1179.70114.3F217 D236F217-K219 HydrophobicContact CE1-CB 4.31Å; K219-D236 WeakPolarHBondContact CB-OD1 3.36Å; K219-D236 PolarHBondContact N-OD1 2.82Å
220D75.6Confident85.6Confident158 Ų15889.5 Ų89.585%0.84546%0.461SS*.THydrogen-bonded Turntrans-87.8-8-176.5-55.7-34000114.6T218T218-D220 PolarHBondContact O-N 3.09Å
221S72.7Confident85.9Confident95 Ų9585.9 Ų85.966%0.66446%0.457SS*.THydrogen-bonded Turntrans-127.4-5.2-167.769.80000116.2T218T218-S221 PolarHBondContact O-N 3.47Å; T218-S221 PolarHBondContact O-OG 2.82Å
222S71.5Confident86.2Confident40 Ų4084.9 Ų84.928%0.2846%0.455SS..  trans-108.6132.1-170.3540000113.5F217 T218 F224F217-S222 WeakPolarHBondContact CD2-OG 3.23Å; F217-S222 WeakPolarHBondContact CE2-OG 3.35Å; F217-S222 WeakPolarHBondContact CZ-OG 3.44Å; T218-S222 PolarHBondContact O-OG 3.39Å; S222-F224 PolarHBondContact O-N 3.17Å
223E78.5Confident86.5Confident178 Ų17889.1 Ų89.183%0.83248%0.478SS*.SBendtrans-74-2.6176.5-61.7178.3173.200114.8
224F79.5Confident86.8Confident68 Ų6885.7 Ų85.730%0.29845%0.454SS..  trans-124.3136-174.7-52.4-76.9000110.3F217 S222 Y234 R246 A248F217-F224 VanDerWaalsContact CE2-O 3.29Å; F217-F224 WeakPolarHBondContact CE2-O 3.49Å; S222-F224 PolarHBondContact O-N 3.17Å; F224-Y234 HydrophobicContact CB-CD2 4.37Å; F224-Y234 HydrophobicContact CB-CE2 3.76Å; F224-Y234 WeakPolarHBondContact O-CD2 3.42Å; F224-R246 WeakPolarHBondContact CE2-O 3.31Å; F224-R246 WeakPolarHBondContact CZ-O 3.36Å; F224-A248 HydrophobicContact CB-CB 4.35Å; F224-A248 HydrophobicContact CD2-CB 3.42Å; F224-A248 VanDerWaalsContact CD2-CB 3.42Å; F224-A248 HydrophobicContact CE2-CB 3.82Å; F224-A248 HydrophobicContact CG-CB 3.87Å
225E85.1Confident86.8Confident157 Ų15788.5 Ų88.573%0.73446%0.464SS*.  trans-105.7-31.5-177.6-64-179.6168.800113.2D233 Y234E225-D233 CarbonylContact O-C 3.47Å; E225-D233 VanDerWaalsContact O-CA 3.29Å; E225-D233 WeakPolarHBondContact O-CA 3.32Å; E225-Y234 VanDerWaalsContact O-CD2 3.28Å; E225-Y234 WeakPolarHBondContact O-CD2 3.49Å; E225-Y234 PolarHBondContact O-N 2.77Å
226T92.4Very high86.9Confident64 Ų6490.2 Ų90.239%0.39347%0.471SS..BIsolated β-bridgetrans-132.3143.1-170.9-430000112.2E232 D233 Y234T226-E232 WeakPolarHBondContact CG2-O 3.39Å; T226-D233 WeakPolarHBondContact CB-OD1 3.17Å; T226-D233 WeakPolarHBondContact CG2-OD1 3.2Å; T226-D233 PolarHBondContact OG1-OD1 3.44Å; T226-Y234 WeakPolarHBondContact O-CE2 3Å; T226-Y234 PolarHBondContact O-OH 2.99Å
227C95Very high86.8Confident0 Ų087.3 Ų87.30%047%0.468CS..  trans-80.2117.8174.5-172.50000111.9I229 C230 L231 E232 Y234 H250C227-I229 PolarHBondContact O-N 3.37Å; C227-C230 VanDerWaalsContact CB-SG 3.55Å; C227-L231 WeakPolarHBondContact O-CA 3.3Å; C227-L231 PolarHBondContact O-N 3.35Å; C227-E232 PolarHBondContact N-O 2.86Å; C227-Y234 WeakPolarHBondContact CA-OH 3.22Å; C227-Y234 HydrophobicContact CB-CD1 4.46Å; C227-Y234 HydrophobicContact CB-CE1 3.59Å; C227-H250 WeakPolarHBondContact CB-ND1 3.47Å; C227-H250 PolarHBondContact SG-N 2.9Å
228A93.2Very high86.9Confident47 Ų4788.9 Ų88.939%0.38848%0.477SS..THydrogen-bonded Turntrans-69.22.3179.700000115.6Y249 I267A228-Y249 HydrophobicContact CB-CE1 4.05Å; A228-I267 HydrophobicContact CB-CD1 3.8Å; A228-I267 HydrophobicContact CB-CG1 3.92Å
229I92.1Very high87.3Confident58 Ų5892 Ų9230%0.29749%0.485SS..THydrogen-bonded Turntrans-102.9-49.9176-62.3169000111.5C227 Y249 C253 V254 P266C227-I229 PolarHBondContact O-N 3.37Å; I229-Y249 HydrophobicContact CD1-CD1 3.55Å; I229-Y249 HydrophobicContact CD1-CE1 4.14Å; I229-Y249 HydrophobicContact CD1-CG 4.06Å; I229-Y249 HydrophobicContact CG1-CD1 3.65Å; I229-Y249 HydrophobicContact CG1-CE1 4.01Å; I229-C253 HydrophobicContact CB-CB 3.85Å; I229-C253 HydrophobicContact CD1-CB 3.92Å; I229-C253 HydrophobicContact CG1-CB 4.5Å; I229-C253 HydrophobicContact CG2-CB 3.78Å; I229-V254 HydrophobicContact CD1-CB 3.88Å; I229-V254 HydrophobicContact CD1-CG2 4.26Å; I229-P266 HydrophobicContact CD1-CG 4.08Å; I229-P266 HydrophobicContact CG1-CG 4.18Å
230C95Very high87.9Confident42 Ų4284.7 Ų84.728%0.28445%0.453SS..THydrogen-bonded Turntrans-93.9-9.6177.459.50000113.7C227 E232 H250C227-C230 VanDerWaalsContact CB-SG 3.55Å; C230-E232 HydrophobicContact CB-CG 4.19Å; C230-E232 PolarHBondContact O-N 3.38Å; C230-H250 PolarHBondContact SG-ND1 2.92Å
231L93.4Very high88.8Confident137 Ų13777.5 Ų77.572%0.71741%0.414SS*.  trans59.821.2-175.4-50.1178.1000113.7C227C227-L231 WeakPolarHBondContact O-CA 3.3Å; C227-L231 PolarHBondContact O-N 3.35Å
232E93.8Very high89.7Confident122 Ų12274.9 Ų74.957%0.5739%0.394SS*.PPolyproline II helixtrans-98.4142.8176.5-61.3171.5162.200110.8T226 C227 C230T226-E232 WeakPolarHBondContact CG2-O 3.39Å; C227-E232 PolarHBondContact N-O 2.86Å; C230-E232 HydrophobicContact CB-CG 4.19Å; C230-E232 PolarHBondContact O-N 3.38Å
233D93Very high90.6Very high105 Ų10573.1 Ų73.156%0.56138%0.382SS*.BIsolated β-bridgetrans-68.5143.5174.2-64.1-24.5000111.6E225 T226 K235E225-D233 CarbonylContact O-C 3.47Å; E225-D233 VanDerWaalsContact O-CA 3.29Å; E225-D233 WeakPolarHBondContact O-CA 3.32Å; T226-D233 WeakPolarHBondContact CB-OD1 3.17Å; T226-D233 WeakPolarHBondContact CG2-OD1 3.2Å; T226-D233 PolarHBondContact OG1-OD1 3.44Å; D233-K235 PolarHBondContact O-N 3.4Å
234Y92.6Very high91.1Very high14 Ų1469.1 Ų69.16%0.05537%0.371CS..PPolyproline II helixtrans-70.9131.2176.6-58.6-56.3000110.3F217 F224 E225 T226 C227 L240 A248 Y249 H250F217-Y234 VanDerWaalsContact CD2-CB 3.42Å; F217-Y234 HydrophobicContact CD2-CD2 4.05Å; F217-Y234 AromaticContact CD2-CG 3.93Å; F217-Y234 HydrophobicContact CD2-CG 3.93Å; F217-Y234 WeakPolarHBondContact CE1-O 3.26Å; F217-Y234 AromaticContact CE2-CD2 3.86Å; F217-Y234 HydrophobicContact CE2-CD2 3.86Å; F217-Y234 HydrophobicContact CE2-CG 4Å; F217-Y234 HydrophobicContact CG-CG 4.38Å; F224-Y234 HydrophobicContact CB-CD2 4.37Å; F224-Y234 HydrophobicContact CB-CE2 3.76Å; F224-Y234 WeakPolarHBondContact O-CD2 3.42Å; E225-Y234 VanDerWaalsContact O-CD2 3.28Å; E225-Y234 WeakPolarHBondContact O-CD2 3.49Å; E225-Y234 PolarHBondContact O-N 2.77Å; T226-Y234 WeakPolarHBondContact O-CE2 3Å; T226-Y234 PolarHBondContact O-OH 2.99Å; C227-Y234 WeakPolarHBondContact CA-OH 3.22Å; C227-Y234 HydrophobicContact CB-CD1 4.46Å; C227-Y234 HydrophobicContact CB-CE1 3.59Å; Y234-L240 HydrophobicContact CD1-CD1 4.14Å; Y234-L240 HydrophobicContact CD1-CD2 3.33Å; Y234-L240 HydrophobicContact CD1-CG 4.38Å; Y234-L240 HydrophobicContact CD2-CD1 4.25Å; Y234-L240 HydrophobicContact CE1-CD1 4.19Å; Y234-L240 HydrophobicContact CE1-CD2 3.3Å; Y234-L240 HydrophobicContact CE1-CG 4.4Å; Y234-L240 HydrophobicContact CE2-CD1 4.33Å; Y234-L240 HydrophobicContact CG-CD1 4.15Å; Y234-L240 HydrophobicContact CG-CD2 4.13Å; Y234-A248 VanDerWaalsContact OH-C 3.29Å; Y234-A248 PolarHBondContact OH-O 2.84Å; Y234-Y249 WeakPolarHBondContact OH-CA 3.34Å; Y234-Y249 PolarHBondContact OH-N 3.11Å; Y234-H250 AromaticContact CD1-CD2 3.89Å; Y234-H250 AromaticContact CD1-CE1 3.79Å; Y234-H250 AromaticContact CD1-NE2 3.42Å; Y234-H250 WeakPolarHBondContact CD1-NE2 3.41Å; Y234-H250 AromaticContact CE1-CE1 3.97Å; Y234-H250 AromaticContact CE1-NE2 3.88Å
235K89.2Confident91.7Very high156 Ų15667.3 Ų67.368%0.67837%0.366SS*.PPolyproline II helixtrans-103.5153.4171.8-47.6178-179.3176.80110.4F217 D233 G237 N238F217-K235 VanDerWaalsContact CD1-C 3.46Å; F217-K235 VanDerWaalsContact CD1-O 3.31Å; F217-K235 WeakPolarHBondContact CD1-O 3.34Å; D233-K235 PolarHBondContact O-N 3.4Å; K235-G237 PolarHBondContact O-N 3.44Å; K235-N238 VanDerWaalsContact CA-ND2 3.3Å; K235-N238 WeakPolarHBondContact CA-ND2 3.39Å; K235-N238 VanDerWaalsContact CB-ND2 3.28Å; K235-N238 WeakPolarHBondContact CB-ND2 3.28Å; K235-N238 PolarHBondContact N-ND2 3.49Å; K235-N238 WeakPolarHBondContact O-CB 3.33Å; K235-N238 PolarHBondContact O-N 3.41Å; K235-N238 PolarHBondContact O-ND2 3.37Å
236D88.5Confident91.9Very high105 Ų10569.5 Ų69.556%0.56137%0.368SS*.THydrogen-bonded Turntrans-53.1132.7177.1-65.5-47.5000111.6T218 K219T218-D236 WeakPolarHBondContact CA-OD1 3.35Å; K219-D236 WeakPolarHBondContact CB-OD1 3.36Å; K219-D236 PolarHBondContact N-OD1 2.82Å
237G88Confident92Very high50 Ų5068.5 Ų68.552%0.51536%0.359SS..THydrogen-bonded Turntrans84.6-0.1-177.200000115.5F217 K235 K239F217-G237 PolarHBondContact O-N 3.43Å; K235-G237 PolarHBondContact O-N 3.44Å; G237-K239 PolarHBondContact O-N 3.08Å
238N91.7Very high91.8Very high46 Ų4668.8 Ų68.825%0.24636%0.361CS..  trans-63.7134.8172-86-66000111.7L216 F217 K235 L240L216-N238 WeakPolarHBondContact CA-O 3.3Å; F217-N238 HydrophobicContact CB-CB 4.23Å; F217-N238 PolarHBondContact N-O 3.43Å; K235-N238 VanDerWaalsContact CA-ND2 3.3Å; K235-N238 WeakPolarHBondContact CA-ND2 3.39Å; K235-N238 VanDerWaalsContact CB-ND2 3.28Å; K235-N238 WeakPolarHBondContact CB-ND2 3.28Å; K235-N238 PolarHBondContact N-ND2 3.49Å; K235-N238 WeakPolarHBondContact O-CB 3.33Å; K235-N238 PolarHBondContact O-N 3.41Å; K235-N238 PolarHBondContact O-ND2 3.37Å; N238-L240 HydrophobicContact CB-CD2 4.18Å; N238-L240 PolarHBondContact O-N 3.31Å
239K92.9Very high91.9Very high132 Ų13266.5 Ų66.557%0.57434%0.342SS*.EExtended strand (participates in β ladder)trans-78.1112.6172.9-67.1-175.6-179.5-1740109.7L216 G237 H250 S251L216-K239 HydrophobicContact CD2-CG 3.74Å; G237-K239 PolarHBondContact O-N 3.08Å; K239-H250 WeakPolarHBondContact O-CA 3.44Å; K239-S251 PolarHBondContact O-N 3.25Å; K239-S251 PolarHBondContact O-OG 3.03Å
240L93.1Very high92.1Very high5 Ų564.4 Ų64.43%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-104.3139.5177.1-53.8-168.4000110.1E214 T215 F217 Y234 N238 Y249E214-L240 CarbonylContact C-O 3.15Å; E214-L240 WeakPolarHBondContact CA-O 3.09Å; T215-L240 PolarHBondContact N-O 3.42Å; T215-L240 PolarHBondContact O-N 3.01Å; F217-L240 HydrophobicContact CB-CD1 3.81Å; F217-L240 HydrophobicContact CB-CG 4.03Å; F217-L240 HydrophobicContact CD2-CD1 3.72Å; F217-L240 HydrophobicContact CG-CD1 4.22Å; Y234-L240 HydrophobicContact CD1-CD1 4.14Å; Y234-L240 HydrophobicContact CD1-CD2 3.33Å; Y234-L240 HydrophobicContact CD1-CG 4.38Å; Y234-L240 HydrophobicContact CD2-CD1 4.25Å; Y234-L240 HydrophobicContact CE1-CD1 4.19Å; Y234-L240 HydrophobicContact CE1-CD2 3.3Å; Y234-L240 HydrophobicContact CE1-CG 4.4Å; Y234-L240 HydrophobicContact CE2-CD1 4.33Å; Y234-L240 HydrophobicContact CG-CD1 4.15Å; Y234-L240 HydrophobicContact CG-CD2 4.13Å; N238-L240 HydrophobicContact CB-CD2 4.18Å; N238-L240 PolarHBondContact O-N 3.31Å; L240-Y249 CarbonylContact C-O 3.58Å; L240-Y249 WeakPolarHBondContact CA-O 3.39Å
241R92.7Very high92Very high6 Ų662.8 Ų62.82%0.02332%0.321CS..EExtended strand (participates in β ladder)trans-106.4119.6168-172.4-178.9-58.2-69.30.5108.8I212 E214 Y249 V254 D255I212-R241 HydrophobicContact CB-CG 4.24Å; I212-R241 HydrophobicContact CG2-CG 3.56Å; I212-R241 PolarHBondContact O-NH1 3.22Å; E214-R241 VanDerWaalsContact CG-NH1 3.35Å; E214-R241 IonicContact OE1-CZ 3.96Å; E214-R241 IonicContact OE1-NH1 3.92Å; E214-R241 PolarHBondContact OE1-NH1 2.92Å; E214-R241 IonicContact OE1-NH2 3.74Å; E214-R241 PolarHBondContact OE1-NH2 2.93Å; R241-Y249 PolarHBondContact N-O 3.3Å; R241-Y249 PolarHBondContact O-N 2.95Å; R241-V254 HydrophobicContact CB-CG1 3.8Å; R241-V254 HydrophobicContact CG-CG1 4.34Å; R241-D255 IonicContact CZ-OD1 3.08Å; R241-D255 IonicContact CZ-OD2 3.33Å; R241-D255 IonicContact NE-OD1 3.74Å; R241-D255 PolarHBondContact NE-OD1 3.48Å; R241-D255 IonicContact NE-OD2 3.33Å; R241-D255 IonicContact NH2-OD1 2.92Å; R241-D255 PolarHBondContact NH2-OD1 3.24Å; R241-D255 IonicContact NH2-OD2 2.68Å; R241-D255 PolarHBondContact NH2-OD2 2.78Å
242V91.5Very high92Very high40 Ų4065.4 Ų65.424%0.24233%0.326CS..EExtended strand (participates in β ladder)trans-96.4114.7177.5-174.40000108.7I212 A248I212-V242 WeakPolarHBondContact CG2-O 3.24Å; V242-A248 HydrophobicContact CG2-CB 4.17Å
243L91.7Very high92.1Very high3 Ų361.1 Ų61.12%0.01631%0.309CS..  trans-73.5162.1179.5-59.2-179.1000111I212 C245 R246 H247 Y249 V254 L258 C265 V272I212-L243 HydrophobicContact CD1-CD2 4.18Å; I212-L243 HydrophobicContact CG2-CD2 4.47Å; L243-C245 PolarHBondContact O-N 3Å; L243-R246 WeakPolarHBondContact O-CA 3.2Å; L243-R246 PolarHBondContact O-N 3.25Å; L243-H247 PolarHBondContact N-O 3.49Å; L243-Y249 HydrophobicContact CD1-CD2 4.16Å; L243-Y249 HydrophobicContact CD1-CE2 3.63Å; L243-Y249 HydrophobicContact CG-CD2 4.31Å; L243-Y249 HydrophobicContact CG-CE2 4.15Å; L243-V254 HydrophobicContact CD1-CG2 4.35Å; L243-V254 HydrophobicContact CD2-CG2 4.39Å; L243-L258 HydrophobicContact CD2-CD1 3.81Å; L243-C265 HydrophobicContact CD1-CB 3.9Å; L243-V272 HydrophobicContact CD1-CG2 3.95Å; L243-V272 HydrophobicContact CD2-CG1 3.98Å; L243-V272 HydrophobicContact CD2-CG2 4.06Å; L243-V272 HydrophobicContact CG-CG2 4.46Å
244P89.4Confident92.1Very high94 Ų9456.1 Ų56.161%0.6128%0.282SS*.THydrogen-bonded Turntrans-59.4-20.4177.8-27.236.8000114.9R246P244-R246 PolarHBondContact O-N 2.92Å
245C91.7Very high92.1Very high30 Ų3057 Ų5720%0.20329%0.288CS..THydrogen-bonded Turntrans-81.38.3171.362.60000114.2L243 H247 C265 C268 K270L243-C245 PolarHBondContact O-N 3Å; C245-H247 VanDerWaalsContact C-N 3.28Å; C245-H247 PolarHBondContact O-N 3.2Å; C245-H247 PolarHBondContact SG-ND1 3.05Å; C245-H247 VanDerWaalsContact SG-ND1 3.39Å; C245-C265 PolarHBondContact SG-SG 2.8Å; C245-C268 VanDerWaalsContact SG-SG 3.6Å; C245-K270 HydrophobicContact CB-CB 4.35Å; C245-K270 HydrophobicContact CB-CD 4.11Å
246R90Very high92.3Very high203 Ų20352.5 Ų52.577%0.76628%0.275SS*.SBendtrans69.8-3.6-179.2-56.8-176.3-179.7163.5-1.7117.8F224 L243 P244F224-R246 WeakPolarHBondContact CE2-O 3.31Å; F224-R246 WeakPolarHBondContact CZ-O 3.36Å; L243-R246 WeakPolarHBondContact O-CA 3.2Å; L243-R246 PolarHBondContact O-N 3.25Å; P244-R246 PolarHBondContact O-N 2.92Å
247H92.6Very high92.4Very high44 Ų4450.4 Ų50.420%0.20426%0.259CS..  trans-68.4132.5171.3-63.7105.3000112.3L243 C245 Y249 C265 I267 C268L243-H247 PolarHBondContact N-O 3.49Å; C245-H247 VanDerWaalsContact C-N 3.28Å; C245-H247 PolarHBondContact O-N 3.2Å; C245-H247 PolarHBondContact SG-ND1 3.05Å; C245-H247 VanDerWaalsContact SG-ND1 3.39Å; H247-Y249 HydrophobicContact CB-CE2 3.66Å; H247-C265 PolarHBondContact ND1-SG 2.99Å; H247-C265 VanDerWaalsContact ND1-SG 3.4Å; H247-I267 HydrophobicContact CB-CD1 4.09Å; H247-I267 VanDerWaalsContact CD2-CD1 3.43Å; H247-I267 WeakPolarHBondContact CD2-CD1 3.28Å; H247-I267 WeakPolarHBondContact NE2-CG2 3.2Å; H247-C268 VanDerWaalsContact CE1-SG 3.58Å
248A92.4Very high92.5Very high5 Ų548 Ų484%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-99.4148.1176.200000112.3F224 Y234 V242F224-A248 HydrophobicContact CB-CB 4.35Å; F224-A248 HydrophobicContact CD2-CB 3.42Å; F224-A248 VanDerWaalsContact CD2-CB 3.42Å; F224-A248 HydrophobicContact CE2-CB 3.82Å; F224-A248 HydrophobicContact CG-CB 3.87Å; Y234-A248 VanDerWaalsContact OH-C 3.29Å; Y234-A248 PolarHBondContact OH-O 2.84Å; V242-A248 HydrophobicContact CG2-CB 4.17Å
249Y95Very high92.4Very high0 Ų048.9 Ų48.90%024%0.239CC..EExtended strand (participates in β ladder)trans-149.1159.1176.1-54.8-90.8000109.4A228 I229 Y234 L240 R241 L243 H247 S251 V254 C265 P266 I267A228-Y249 HydrophobicContact CB-CE1 4.05Å; I229-Y249 HydrophobicContact CD1-CD1 3.55Å; I229-Y249 HydrophobicContact CD1-CE1 4.14Å; I229-Y249 HydrophobicContact CD1-CG 4.06Å; I229-Y249 HydrophobicContact CG1-CD1 3.65Å; I229-Y249 HydrophobicContact CG1-CE1 4.01Å; Y234-Y249 WeakPolarHBondContact OH-CA 3.34Å; Y234-Y249 PolarHBondContact OH-N 3.11Å; L240-Y249 CarbonylContact C-O 3.58Å; L240-Y249 WeakPolarHBondContact CA-O 3.39Å; R241-Y249 PolarHBondContact N-O 3.3Å; R241-Y249 PolarHBondContact O-N 2.95Å; L243-Y249 HydrophobicContact CD1-CD2 4.16Å; L243-Y249 HydrophobicContact CD1-CE2 3.63Å; L243-Y249 HydrophobicContact CG-CD2 4.31Å; L243-Y249 HydrophobicContact CG-CE2 4.15Å; H247-Y249 HydrophobicContact CB-CE2 3.66Å; Y249-S251 PolarHBondContact O-N 2.84Å; Y249-V254 HydrophobicContact CD2-CB 4.25Å; Y249-V254 HydrophobicContact CD2-CG2 3.93Å; Y249-V254 HydrophobicContact CG-CB 4.04Å; Y249-V254 HydrophobicContact CG-CG2 4.14Å; Y249-C265 PolarHBondContact OH-SG 3.46Å; Y249-P266 HydrophobicContact CE1-CB 4.01Å; Y249-P266 HydrophobicContact CE1-CG 3.82Å; Y249-P266 WeakPolarHBondContact OH-CD 3.5Å; Y249-I267 HydrophobicContact CE1-CD1 4.12Å; Y249-I267 HydrophobicContact CE1-CG1 4.32Å; Y249-I267 WeakPolarHBondContact OH-CD1 3.32Å; Y249-I267 WeakPolarHBondContact OH-CG1 3.2Å; Y249-I267 PolarHBondContact OH-N 2.78Å
250H95.7Very high92Very high14 Ų1451 Ų517%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-55.9131.3162.3-67.8123.3000110.3C227 C230 Y234 K239 K252 C253 V254C227-H250 WeakPolarHBondContact CB-ND1 3.47Å; C227-H250 PolarHBondContact SG-N 2.9Å; C230-H250 PolarHBondContact SG-ND1 2.92Å; Y234-H250 AromaticContact CD1-CD2 3.89Å; Y234-H250 AromaticContact CD1-CE1 3.79Å; Y234-H250 AromaticContact CD1-NE2 3.42Å; Y234-H250 WeakPolarHBondContact CD1-NE2 3.41Å; Y234-H250 AromaticContact CE1-CE1 3.97Å; Y234-H250 AromaticContact CE1-NE2 3.88Å; K239-H250 WeakPolarHBondContact O-CA 3.44Å; H250-K252 PolarHBondContact O-N 3.2Å; H250-C253 HydrophobicContact CB-CB 4.02Å; H250-C253 WeakPolarHBondContact O-CB 3.28Å; H250-C253 PolarHBondContact O-N 2.67Å; H250-V254 PolarHBondContact O-N 2.84Å
251S93.5Very high91.5Very high8 Ų858.5 Ų58.56%0.05628%0.276CS..Hα-helixtrans-53.2-41.8177.2-580000111.1E214 K239 Y249 C253 V254 D255E214-S251 PolarHBondContact OE2-OG 3.12Å; K239-S251 PolarHBondContact O-N 3.25Å; K239-S251 PolarHBondContact O-OG 3.03Å; Y249-S251 PolarHBondContact O-N 2.84Å; S251-C253 VanDerWaalsContact C-N 3.25Å; S251-C253 PolarHBondContact O-N 3.11Å; S251-V254 PolarHBondContact O-N 2.71Å; S251-D255 VanDerWaalsContact O-CB 3.24Å; S251-D255 WeakPolarHBondContact O-CB 3.18Å; S251-D255 PolarHBondContact O-N 2.84Å
252K94Very high91.1Very high191 Ų19165.6 Ų65.683%0.8330%0.303SS*.Hα-helixtrans-62.1-27.7177.6-64.7-177.7-179.6178.40113.9H250 P256H250-K252 PolarHBondContact O-N 3.2Å; K252-P256 WeakPolarHBondContact O-CD 3.3Å; K252-P256 WeakPolarHBondContact O-CG 3.36Å
253C94.4Very high91Very high32 Ų3264.2 Ų64.222%0.21630%0.296CS..Hα-helixtrans-87.8-43.3-178.6-64.20000111.9I229 H250 S251I229-C253 HydrophobicContact CB-CB 3.85Å; I229-C253 HydrophobicContact CD1-CB 3.92Å; I229-C253 HydrophobicContact CG1-CB 4.5Å; I229-C253 HydrophobicContact CG2-CB 3.78Å; H250-C253 HydrophobicContact CB-CB 4.02Å; H250-C253 WeakPolarHBondContact O-CB 3.28Å; H250-C253 PolarHBondContact O-N 2.67Å; S251-C253 VanDerWaalsContact C-N 3.25Å; S251-C253 PolarHBondContact O-N 3.11Å
254V93.9Very high90.9Very high0 Ų065.6 Ų65.60%031%0.305CS..Hα-helixtrans-82.6-26.8-174.973.10000113.1I229 R241 L243 Y249 H250 S251 W257 L258I229-V254 HydrophobicContact CD1-CB 3.88Å; I229-V254 HydrophobicContact CD1-CG2 4.26Å; R241-V254 HydrophobicContact CB-CG1 3.8Å; R241-V254 HydrophobicContact CG-CG1 4.34Å; L243-V254 HydrophobicContact CD1-CG2 4.35Å; L243-V254 HydrophobicContact CD2-CG2 4.39Å; Y249-V254 HydrophobicContact CD2-CB 4.25Å; Y249-V254 HydrophobicContact CD2-CG2 3.93Å; Y249-V254 HydrophobicContact CG-CB 4.04Å; Y249-V254 HydrophobicContact CG-CG2 4.14Å; H250-V254 PolarHBondContact O-N 2.84Å; S251-V254 PolarHBondContact O-N 2.71Å; V254-W257 WeakPolarHBondContact O-CB 3.33Å; V254-W257 PolarHBondContact O-N 3.28Å; V254-L258 HydrophobicContact CG2-CD1 3.9Å; V254-L258 HydrophobicContact CG2-CG 3.99Å; V254-L258 WeakPolarHBondContact O-CG 3.42Å; V254-L258 PolarHBondContact O-N 3.08Å
255D93.2Very high91.1Very high34 Ų3461.1 Ų61.118%0.18228%0.276CS..Hα-helixtrans-64.1-49.4-179-691.4000112.5L209 R241 S251 W257 L258 L259L209-D255 HydrophobicContact CD2-CB 3.89Å; R241-D255 IonicContact CZ-OD1 3.08Å; R241-D255 IonicContact CZ-OD2 3.33Å; R241-D255 IonicContact NE-OD1 3.74Å; R241-D255 PolarHBondContact NE-OD1 3.48Å; R241-D255 IonicContact NE-OD2 3.33Å; R241-D255 IonicContact NH2-OD1 2.92Å; R241-D255 PolarHBondContact NH2-OD1 3.24Å; R241-D255 IonicContact NH2-OD2 2.68Å; R241-D255 PolarHBondContact NH2-OD2 2.78Å; S251-D255 VanDerWaalsContact O-CB 3.24Å; S251-D255 WeakPolarHBondContact O-CB 3.18Å; S251-D255 PolarHBondContact O-N 2.84Å; D255-W257 PolarHBondContact O-N 3.48Å; D255-L258 PolarHBondContact O-N 3.43Å; D255-L259 VanDerWaalsContact O-CB 3.31Å; D255-L259 WeakPolarHBondContact O-CB 3.4Å; D255-L259 WeakPolarHBondContact O-CG 3.5Å; D255-L259 PolarHBondContact O-N 3.16Å
256P91.6Very high91.1Very high60 Ų6061.4 Ų61.439%0.3928%0.277SS..Hα-helixtrans-59.6-36.5173.6-2334.1000112.5K252 K260K252-P256 WeakPolarHBondContact O-CD 3.3Å; K252-P256 WeakPolarHBondContact O-CG 3.36Å; P256-K260 VanDerWaalsContact O-CB 3.26Å; P256-K260 WeakPolarHBondContact O-CB 3.44Å; P256-K260 PolarHBondContact O-N 2.96Å
257W90.9Very high91.2Very high62 Ų6255.9 Ų55.924%0.23526%0.262CS..Iπ-helixtrans-61.4-51177.1177.5-84.7000111.6V254 D255 R261 R262 V264 P266V254-W257 WeakPolarHBondContact O-CB 3.33Å; V254-W257 PolarHBondContact O-N 3.28Å; D255-W257 PolarHBondContact O-N 3.48Å; W257-R261 VanDerWaalsContact CZ3-CD 3.47Å; W257-R261 VanDerWaalsContact CZ3-NH1 3.34Å; W257-R261 CarbonylContact O-C 3.47Å; W257-R261 WeakPolarHBondContact O-CA 3.49Å; W257-R261 VanDerWaalsContact O-CB 3.3Å; W257-R261 WeakPolarHBondContact O-CB 3.43Å; W257-R261 PolarHBondContact O-N 3.39Å; W257-R262 PolarHBondContact NE1-O 3.05Å; W257-R262 PolarHBondContact O-N 2.81Å; W257-V264 PolarHBondContact NE1-O 3.07Å; W257-P266 HydrophobicContact CD2-CG 4.17Å; W257-P266 HydrophobicContact CG-CG 4.27Å; W257-P266 HydrophobicContact CZ2-CB 4.46Å; W257-P266 HydrophobicContact CZ2-CG 4.39Å
258L91.6Very high91.2Very high0 Ų055.8 Ų55.80%027%0.266CS..Iπ-helixtrans-70-35.7-177.8-65.8176000112.9L204 L209 I212 L243 V254 D255 V272L204-L258 HydrophobicContact CB-CB 4.21Å; L204-L258 HydrophobicContact CD2-CB 4.38Å; L204-L258 HydrophobicContact CD2-CD1 4.24Å; L204-L258 PolarHBondContact N-O 2.97Å; L209-L258 HydrophobicContact CD1-CB 4.27Å; L209-L258 HydrophobicContact CD1-CD1 3.59Å; I212-L258 HydrophobicContact CD1-CD1 4.47Å; L243-L258 HydrophobicContact CD2-CD1 3.81Å; V254-L258 HydrophobicContact CG2-CD1 3.9Å; V254-L258 HydrophobicContact CG2-CG 3.99Å; V254-L258 WeakPolarHBondContact O-CG 3.42Å; V254-L258 PolarHBondContact O-N 3.08Å; D255-L258 PolarHBondContact O-N 3.43Å; L258-V272 HydrophobicContact CD1-CG1 4.44Å; L258-V272 HydrophobicContact CD1-CG2 4.48Å; L258-V272 HydrophobicContact CD2-CB 4.33Å; L258-V272 HydrophobicContact CD2-CG2 3.59Å
259L87.9Confident91.1Very high63 Ų6363.7 Ų63.733%0.3330%0.299SS..Iπ-helixtrans-83.1-35-176.6-66.3174.1000113.8C203 L204 A206 L209 D255C203-L259 VanDerWaalsContact CB-O 3.28Å; C203-L259 WeakPolarHBondContact CB-O 3.5Å; C203-L259 PolarHBondContact SG-O 2.89Å; L204-L259 WeakPolarHBondContact O-CD2 3.2Å; A206-L259 HydrophobicContact CB-CD2 3.98Å; L209-L259 HydrophobicContact CB-CD2 4.29Å; L209-L259 HydrophobicContact CD2-CD1 3.66Å; L209-L259 HydrophobicContact CD2-CD2 3.79Å; L209-L259 HydrophobicContact CD2-CG 3.69Å; D255-L259 VanDerWaalsContact O-CB 3.31Å; D255-L259 WeakPolarHBondContact O-CB 3.4Å; D255-L259 WeakPolarHBondContact O-CG 3.5Å; D255-L259 PolarHBondContact O-N 3.16Å
260K84.4Confident90.8Very high177 Ų17770.2 Ų70.277%0.7733%0.328SS*.Iπ-helixtrans-111.7-26.3-170.7-57.6-178.2178.1179.70113.5P256P256-K260 VanDerWaalsContact O-CB 3.26Å; P256-K260 WeakPolarHBondContact O-CB 3.44Å; P256-K260 PolarHBondContact O-N 2.96Å
261R83.8Confident90.5Very high162 Ų16277.7 Ų77.761%0.61136%0.36SS*.Iπ-helixtrans-108.3-74.9-172.6-162-178.5-71-157-1.4111.6W257W257-R261 VanDerWaalsContact CZ3-CD 3.47Å; W257-R261 VanDerWaalsContact CZ3-NH1 3.34Å; W257-R261 CarbonylContact O-C 3.47Å; W257-R261 WeakPolarHBondContact O-CA 3.49Å; W257-R261 VanDerWaalsContact O-CB 3.3Å; W257-R261 WeakPolarHBondContact O-CB 3.43Å; W257-R261 PolarHBondContact O-N 3.39Å
262R84.9Confident90Very high156 Ų15677.8 Ų77.859%0.58936%0.36SS*.  trans-151.9133.2-178-62.9-174.6-178.1-167.41.6110.4Y202 W257 V264Y202-R262 CarbonylContact O-C 3.54Å; Y202-R262 WeakPolarHBondContact O-CA 3.45Å; W257-R262 PolarHBondContact NE1-O 3.05Å; W257-R262 PolarHBondContact O-N 2.81Å; R262-V264 HydrophobicContact CB-CG2 3.77Å; R262-V264 PolarHBondContact O-N 2.92Å
263G88.5Confident89.1Confident11 Ų1172 Ų7211%0.11334%0.336CS..SBendtrans-75.140.5173.100000113.4Y202 V272Y202-G263 PolarHBondContact O-N 3.32Å; G263-V272 PolarHBondContact O-N 3.31Å
264V90.7Very high87.3Confident31 Ų3177.6 Ų77.619%0.18836%0.364CS..BIsolated β-bridgetrans-125.5148.5178.8-57.10000109.6W257 R262 K270 K271W257-V264 PolarHBondContact NE1-O 3.07Å; R262-V264 HydrophobicContact CB-CG2 3.77Å; R262-V264 PolarHBondContact O-N 2.92Å; V264-K270 WeakPolarHBondContact CA-O 3.29Å; V264-K271 HydrophobicContact CG1-CG 4.01Å
265C92.3Very high85.4Confident0 Ų086.9 Ų86.90%040%0.399CS..  trans-60.2129.1173.71800000111L243 C245 H247 Y249 I267 K269 K270L243-C265 HydrophobicContact CD1-CB 3.9Å; C245-C265 PolarHBondContact SG-SG 2.8Å; H247-C265 PolarHBondContact ND1-SG 2.99Å; H247-C265 VanDerWaalsContact ND1-SG 3.4Å; Y249-C265 PolarHBondContact OH-SG 3.46Å; C265-I267 VanDerWaalsContact C-N 3.29Å; C265-I267 PolarHBondContact O-N 3.35Å; C265-K269 WeakPolarHBondContact O-CA 3.35Å; C265-K269 PolarHBondContact O-N 3.24Å; C265-K270 PolarHBondContact N-O 3.33Å
266P92.9Very high82.9Confident36 Ų3690.5 Ų90.523%0.23442%0.424CS..THydrogen-bonded Turntrans-55.1-39.5174.1-27.332.2000114.2I229 Y249 W257I229-P266 HydrophobicContact CD1-CG 4.08Å; I229-P266 HydrophobicContact CG1-CG 4.18Å; Y249-P266 HydrophobicContact CE1-CB 4.01Å; Y249-P266 HydrophobicContact CE1-CG 3.82Å; Y249-P266 WeakPolarHBondContact OH-CD 3.5Å; W257-P266 HydrophobicContact CD2-CG 4.17Å; W257-P266 HydrophobicContact CG-CG 4.27Å; W257-P266 HydrophobicContact CZ2-CB 4.46Å; W257-P266 HydrophobicContact CZ2-CG 4.39Å
267I91.3Very high80.7Confident88 Ų8898.3 Ų98.345%0.45145%0.446SS..THydrogen-bonded Turntrans-77.9-62.1-176.8-65.4165.6000111.4A228 H247 Y249 C265A228-I267 HydrophobicContact CB-CD1 3.8Å; A228-I267 HydrophobicContact CB-CG1 3.92Å; H247-I267 HydrophobicContact CB-CD1 4.09Å; H247-I267 VanDerWaalsContact CD2-CD1 3.43Å; H247-I267 WeakPolarHBondContact CD2-CD1 3.28Å; H247-I267 WeakPolarHBondContact NE2-CG2 3.2Å; Y249-I267 HydrophobicContact CE1-CD1 4.12Å; Y249-I267 HydrophobicContact CE1-CG1 4.32Å; Y249-I267 WeakPolarHBondContact OH-CD1 3.32Å; Y249-I267 WeakPolarHBondContact OH-CG1 3.2Å; Y249-I267 PolarHBondContact OH-N 2.78Å; C265-I267 VanDerWaalsContact C-N 3.29Å; C265-I267 PolarHBondContact O-N 3.35Å
268C93Very high78.3Confident42 Ų42101.2 Ų101.228%0.28447%0.47SS..THydrogen-bonded Turntrans-98.92-170.367.20000115C245 H247 K270C245-C268 VanDerWaalsContact SG-SG 3.6Å; H247-C268 VanDerWaalsContact CE1-SG 3.58Å; C268-K270 HydrophobicContact CB-CG 4.39Å; C268-K270 PolarHBondContact O-N 2.68Å
269K90.2Very high75.8Confident171 Ų171107 Ų10774%0.74350%0.501SS*.  trans58.17-179.3-53.8179.1-177.9179.90115.1C265C265-K269 WeakPolarHBondContact O-CA 3.35Å; C265-K269 PolarHBondContact O-N 3.24Å
270K89.2Confident73.5Confident136 Ų136108.6 Ų108.659%0.59151%0.514SS*.  trans-66.7136.4175.4-67.4-178.8-177.21770110.2C245 V264 C265 C268 V272C245-K270 HydrophobicContact CB-CB 4.35Å; C245-K270 HydrophobicContact CB-CD 4.11Å; V264-K270 WeakPolarHBondContact CA-O 3.29Å; C265-K270 PolarHBondContact N-O 3.33Å; C268-K270 HydrophobicContact CB-CG 4.39Å; C268-K270 PolarHBondContact O-N 2.68Å; K270-V272 PolarHBondContact O-N 2.87Å
271K87.6Confident71.5Confident171 Ų171103.9 Ų103.974%0.74350%0.503SS*.BIsolated β-bridgetrans-62.4132.8174.7-72.5177.7-179173.40109.6V264 H273V264-K271 HydrophobicContact CG1-CG 4.01Å; K271-H273 PolarHBondContact O-N 3.33Å
272V84.8Confident69.4Low11 Ų11103.6 Ų103.67%0.06751%0.514CS..SBendtrans-73.1-15.1-178.7177.20000111.9L204 I212 L243 L258 G263 K270L204-V272 HydrophobicContact CD2-CG1 3.99Å; I212-V272 HydrophobicContact CD1-CG1 3.23Å; I212-V272 HydrophobicContact CG1-CG1 4.37Å; L243-V272 HydrophobicContact CD1-CG2 3.95Å; L243-V272 HydrophobicContact CD2-CG1 3.98Å; L243-V272 HydrophobicContact CD2-CG2 4.06Å; L243-V272 HydrophobicContact CG-CG2 4.46Å; L258-V272 HydrophobicContact CD1-CG1 4.44Å; L258-V272 HydrophobicContact CD1-CG2 4.48Å; L258-V272 HydrophobicContact CD2-CB 4.33Å; L258-V272 HydrophobicContact CD2-CG2 3.59Å; G263-V272 PolarHBondContact O-N 3.31Å; K270-V272 PolarHBondContact O-N 2.87Å
273H74.6Confident67.3Low68 Ų68100.9 Ų100.932%0.31552%0.518SS..  trans-115.8117.4178.9-161.983.7000110.9L204 E208 K271 R275L204-H273 HydrophobicContact CD1-CB 3.87Å; E208-H273 IonicContact OE1-CE1 3.77Å; E208-H273 IonicContact OE2-CE1 3.79Å; E208-H273 PolarHBondContact OE2-CE1 3.05Å; E208-H273 IonicContact OE2-ND1 3.42Å; E208-H273 PolarHBondContact OE2-ND1 3.41Å; E208-H273 VanDerWaalsContact OE2-ND1 3.08Å; K271-H273 PolarHBondContact O-N 3.33Å; H273-R275 VanDerWaalsContact CD2-CG 3.44Å; H273-R275 WeakPolarHBondContact CD2-CG 3.49Å; H273-R275 PolarHBondContact CD2-N 3.08Å; H273-R275 PolarHBondContact O-N 3.36Å
274N56Low65Low151 Ų151106.9 Ų106.981%0.80755%0.553SS**  trans-79.176.9166.9-159.823000107.5P276N274-P276 WeakPolarHBondContact O-CD 3.35Å
275R54Low62.8Low195 Ų195116.6 Ų116.674%0.73659%0.586SS**  trans-59.6124.7158.7-78.5-157.2176.9175.5-2.3104.1H273 R277H273-R275 VanDerWaalsContact CD2-CG 3.44Å; H273-R275 WeakPolarHBondContact CD2-CG 3.49Å; H273-R275 PolarHBondContact CD2-N 3.08Å; H273-R275 PolarHBondContact O-N 3.36Å; R275-R277 PolarHBondContact O-N 3.14Å
276P41.5Very low60.5Low110 Ų110126.1 Ų126.171%0.71463%0.628SS**  trans-51.5120.2171.3-4.911.1000105.5N274 V278N274-P276 WeakPolarHBondContact O-CD 3.35Å; P276-V278 PolarHBondContact O-N 3.43Å
277R45Very low58Low224 Ų224136.3 Ų136.385%0.84566%0.662SS**  trans-56.4104.6162.3-74-179.5174164.4-3.6103.3R275 N279R275-R277 PolarHBondContact O-N 3.14Å; R277-N279 PolarHBondContact O-N 3.2Å
278V40.4Very low55.5Low122 Ų122143.1 Ų143.174%0.73968%0.682SS**  trans-60.1100.8154.61770000102P276 T280P276-V278 PolarHBondContact O-N 3.43Å; V278-T280 PolarHBondContact O-N 2.92Å
279N38.6Very low52.9Low123 Ų123145.6 Ų145.666%0.65871%0.706SS**  trans-58.988.1167.4-89.1-0000105.4R277 S281R277-N279 PolarHBondContact O-N 3.2Å; N279-S281 PolarHBondContact O-N 3.38Å
280T40.1Very low50.7Low96 Ų96143.7 Ų143.759%0.58971%0.713SS**  trans-77.344.8159.2-42.90000108.4V278 N282V278-T280 PolarHBondContact O-N 2.92Å; T280-N282 PolarHBondContact O-N 2.75Å
281S42.9Very low48.4Very low78 Ų78139.9 Ų139.955%0.54571%0.707SS.*  trans-77.398.9149.246.20000104.6N279N279-S281 PolarHBondContact O-N 3.38Å
282N39.7Very low46.1Very low156 Ų156142 Ų14283%0.83471%0.712SS**SBendtrans120.554.7178.1-60.8-10.9000114.8T280T280-N282 PolarHBondContact O-N 2.75Å
283S39.4Very low43.8Very low98 Ų98145.7 Ų145.769%0.68574%0.744SS**  trans-169.843149.6-950000113.5
284T41.7Very low42.1Very low138 Ų138148.6 Ų148.685%0.84777%0.767SS**SBendtrans-114.354.3162.9530000109.3
285R43.8Very low41.5Very low235 Ų235147.9 Ų147.989%0.88777%0.768SS**SBendtrans-139.10.8168.7-121.1179.4-174.2171.91.8115.8
286F44.6Very low41.1Very low199 Ų199143.6 Ų143.687%0.87377%0.768SS**SBendtrans-125.315.4-171.6-89.9-77.9000117.1
287R40.6Very low41.4Very low250 Ų250147.5 Ų147.594%0.94378%0.777SS**SBendtrans-132.726.2176.3-67.7-164-166.4-168.55.1116
288R37.3Very low41.4Very low232 Ų232141.6 Ų141.688%0.87578%0.776SS**SBendtrans-109.63.8165.9-95.5-173.2-170115.20.4114.7
289A39.2Very low41.4Very low94 Ų94141.2 Ų141.278%0.77778%0.776SS**  trans-10376.7176.900000110.8
290S43.7Very low41.4Very low130 Ų130142.7 Ų142.791%0.90978%0.783SS**SBendtrans-167.111.5164.6-116.80000115.4
291A41.1Very low41.6Very low56 Ų56145.5 Ų145.546%0.46379%0.793SS.*SBendtrans-127.2157.6161.200000105.7
292Y38.7Very low41.2Very low215 Ų215148.7 Ų148.784%0.84380%0.804SS**  trans73.963.1-178.2-5.2-68.9000114.3
293A36.8Very low41.1Very low90 Ų90147.6 Ų147.674%0.74480%0.799SS**  trans-79.2134.7148.600000108.3
294T38.4Very low40.7Very low129 Ų129147.1 Ų147.179%0.79180%0.795SS**  trans75.491.8158.9-18.50000116.4
295T44.7Very low40.4Very low136 Ų136145.9 Ų145.983%0.83479%0.792SS**  -177.2135.9104.544.60000109.7
296S44.2Very low39.9Very low105 Ų105143.3 Ų143.373%0.73479%0.788SS**  trans-54.5132.2176.844.70000114.5
297E48Very low39.3Very low192 Ų192143.1 Ų143.190%0.89779%0.79SS**  156.8148.2125.4-83.1-179.7163.200111.9
298A45.5Very low39Very low99 Ų99139.4 Ų139.482%0.81878%0.783SS**  trans-89171.6-149.100000114.9
299P41Very low38.6Very low115 Ų115136.3 Ų136.375%0.74778%0.784SS**  trans-105.3161.6-160.139.8-31.3000114.1
300L38.7Very low38.4Very low153 Ų153137.2 Ų137.280%0.80178%0.784SS**  trans-150.5125.8161.7-79-178.1000112.4
301L44Very low37.7Very low155 Ų155139 Ų13981%0.81278%0.784SS**  trans64.5145.7134.8-57.5179000117.7
302D34.7Very low37.5Very low145 Ų145141.1 Ų141.178%0.77580%0.795SS**  cis-174.3166.90.3172.832.8000104.8
303D36.4Very low37.2Very low134 Ų134139.3 Ų139.372%0.71779%0.794SS**  trans97.5151.3151.4-146.420.2000118.9
304S31.8Very low37Very low87 Ų87141.7 Ų141.761%0.60880%0.795SS**  trans-125.6-175.2-130.660.30000109.3
305S34.8Very low36.6Very low113 Ų113141 Ų14179%0.7979%0.791SS**  trans79141.3170.485.80000114.7
306F33.3Very low36.1Very low181 Ų181142.1 Ų142.179%0.79479%0.79SS**  cis-167128.9-19.1-157.6-109.3000101.9E308F306-E308 HydrophobicContact CD1-CG 4.45Å; F306-E308 PolarHBondContact O-N 2.65Å
307E31.6Very low35.5Very low194 Ų194142.1 Ų142.191%0.90779%0.79SS**  trans-75.9114.4176.8-71.3-168.7153.700109.3
308E35Very low34.7Very low172 Ų172138.4 Ų138.480%0.80479%0.785SS**  trans-116.2103.5158.9-77.5-172.1150.600109F306F306-E308 HydrophobicContact CD1-CG 4.45Å; F306-E308 PolarHBondContact O-N 2.65Å
309D29.3Very low34.2Very low167 Ų167139.9 Ų139.989%0.89379%0.787SS**  trans-70.3121.3160.3-97.1-28.7000108.2
310S33.8Very low33.6Very low113 Ų113143.8 Ų143.879%0.7980%0.795SS**  trans-150119.3161-79.80000111.4
311D30.5Very low33.2Very low168 Ų168146 Ų14690%0.89880%0.798SS**  trans-63.8131.6168.4-69.4-54.4000110.9
312S35.4Very low32.5Very low101 Ų101143.4 Ų143.471%0.70679%0.793SS**  trans-173.4113.6147230000108.5
313E33Very low32.3Very low176 Ų176141 Ų14182%0.82279%0.788SS**  88.2117.5113.7-65.5-146.7122.800112.1
314D33.1Very low32.1Very low141 Ų141145.9 Ų145.975%0.75480%0.798SS**  173.7116.1120.5-91.3-41.4000112.3
315T29.4Very low32Very low115 Ų115144.4 Ų144.471%0.70680%0.797SS**  53.2106.2118.6-44.70000117.5
316I35.3Very low31.9Very low158 Ų158147.9 Ų147.981%0.8180%0.8SS**  trans-156.2104.3144.8-88.6134.4000109.1
317S31.6Very low31.8Very low105 Ų105145.7 Ų145.773%0.73480%0.797SS**  trans10.6122.5144.549.90000119.5
318S30.5Very low31.9Very low115 Ų115142 Ų14280%0.80479%0.788SS**PPolyproline II helixtrans-101.6139.7156.1-64.50000109.8
319P34Very low31.8Very low130 Ų130141.8 Ų141.884%0.84479%0.786SS**PPolyproline II helixtrans-78.3138.9169.518.8-8.1000111
320Q28.3Very low31.7Very low197 Ų197137.7 Ų137.792%0.92177%0.771SS**PPolyproline II helixtrans-64.1139.1168.9-68172.4-65.300110.5
321F31.5Very low31.7Very low199 Ų199138.6 Ų138.687%0.87377%0.766SS**  trans-133115.4152.2-167.5-97.4000108.4
322S28.3Very low31.7Very low101 Ų101137.4 Ų137.471%0.70676%0.756SS**  trans-82.6142.6173.5510000111.1
323S32.1Very low31.7Very low95 Ų95140 Ų14066%0.66476%0.756SS**  trans146.5108.5150.3-176.10000107.3
324Y31.6Very low31.6Very low235 Ų235137.6 Ų137.692%0.92275%0.754SS**  41.6119.696.3-86.2-88.2000111.4
325G30Very low31.6Very low57 Ų57136.7 Ų136.759%0.58876%0.755SS**  cis158.6168.215.900000105.8
326E32.5Very low31.6Very low186 Ų186138.5 Ų138.587%0.86976%0.76SS**  trans73.5149.6170-57.1175119.700116.4
327D30.9Very low31.5Very low135 Ų135139 Ų13972%0.72276%0.763SS**  cis-170.2143.4-37.7-113.4-31.8000105
328V33.3Very low31.4Very low117 Ų117140.9 Ų140.971%0.70976%0.764SS**  trans71128.9142.3-174.20000122.1
329H32.7Very low31.6Very low167 Ų167140.4 Ų140.477%0.77377%0.767SS**  trans102.4130.7148.1-104.554.7000121.5
330S28.8Very low31.6Very low81 Ų81139.7 Ų139.757%0.56677%0.766SS**  trans-94.4-176.3-171.144.20000111.8
331D32.9Very low31.9Very low131 Ų131135.1 Ų135.170%0.70176%0.762SS**  trans95.1139.3164.1-43.1-15.3000113.3
332E29.9Very low31.9Very low144 Ų144132.6 Ų132.667%0.67376%0.757SS**  cis-169.4169.2-19.7-164.2169.4146.400104.7
333H35.5Very low32.2Very low155 Ų155136.1 Ų136.172%0.71876%0.763SS**  trans84.897.6156.8-59.7-57000121.7
334T30.7Very low32.2Very low126 Ų126136.5 Ų136.577%0.77377%0.765SS**  trans-71.3155141.5-25.20000111.1
335P33.5Very low32Very low121 Ų121130.7 Ų130.779%0.78676%0.759SS**  trans-116.6136.9144.929.6-16.3000112.3
336L28.9Very low32.2Very low154 Ų154132.6 Ų132.681%0.80677%0.769SS**  trans-78.4142.3170.9-70165000110.3
337I34.8Very low32.1Very low169 Ų169129.1 Ų129.187%0.86777%0.765SS**  trans-125.5117.8153.8-63.9-179.2000108.2
338N28.1Very low32.3Very low143 Ų143127.8 Ų127.877%0.76577%0.767SS**  trans-71.4141.3172.3-76.5-21.5000110.9
339A35.7Very low32.4Very low105 Ų105129.7 Ų129.787%0.86877%0.772SS**  trans-143.7102.2146.200000108.4
340S32.5Very low32.4Very low116 Ų116131.2 Ų131.281%0.81178%0.776SS**  trans-70.6129.4168.936.50000110.9
341A34.6Very low32.4Very low101 Ų101137.3 Ų137.384%0.83579%0.787SS**  trans-151.5108.9151.600000108.5
342D31.7Very low32.5Very low146 Ų146140.7 Ų140.778%0.78180%0.801SS**  trans-65.2147.3174.5-65.9-61.4000112.2
343Q34.9Very low32.8Very low175 Ų175142 Ų14282%0.81880%0.804SS**  146.3123.1119.4-79176.722.900113.1
344S32Very low33.1Very low102 Ų102139.9 Ų139.971%0.71380%0.796SS**  trans79.197.5143.575.30000119.3
345S29.1Very low34.1Very low114 Ų114137.6 Ų137.680%0.79778%0.782SS**  45.2106.6120.358.80000119.6
346A33.2Very low35.2Very low96 Ų96135.1 Ų135.179%0.79377%0.772SS**  172.8114.411000000110.8S348A346-S348 PolarHBondContact O-N 2.88Å
347S30.4Very low36.3Very low113 Ų113131.5 Ų131.579%0.7976%0.759SS**  trans-47.2126.4154.744.90000112.4
348S35.2Very low37.5Very low108 Ų108127.6 Ų127.676%0.75574%0.739SS**  trans-179.8133.9139.1-89.40000114.7A346A346-S348 PolarHBondContact O-N 2.88Å
349L36.2Very low38.9Very low157 Ų157128.4 Ų128.482%0.82273%0.732SS**  trans57.5104.1158.6-79.195.8000120.3R351L349-R351 PolarHBondContact O-N 3.2Å
350K31.3Very low40.5Very low198 Ų198130 Ų13086%0.86172%0.721SS**  trans-45102.8144-74.3171.1174.3172.50111.8
351R30.4Very low42Very low209 Ų209128.1 Ų128.179%0.78971%0.705SS**  trans-135.1116.2143.5-106.8-178.5-179.1174.6-0.7105.2L349 K353L349-R351 PolarHBondContact O-N 3.2Å; R351-K353 HydrophobicContact CB-CG 4.49Å; R351-K353 PolarHBondContact O-N 3.37Å
352M34.8Very low43.4Very low203 Ų203127.4 Ų127.4100%169%0.687SS**  trans-63.792.3159.4-95.7167.4145.400105.7
353K35.1Very low45.1Very low171 Ų171125.4 Ų125.474%0.74367%0.672SS**PPolyproline II helixtrans-77.3116.8163.6-79.5178.7173.9177.40105.4R351 T355R351-K353 HydrophobicContact CB-CG 4.49Å; R351-K353 PolarHBondContact O-N 3.37Å; K353-T355 PolarHBondContact O-N 3.49Å
354M41.6Very low46.7Very low110 Ų110119.7 Ų119.754%0.54265%0.652SS.*PPolyproline II helixtrans-47.3121.8159.9-171.6171.2178.900107.1I358 L362M354-I358 HydrophobicContact CE-CB 4.43Å; M354-I358 HydrophobicContact CE-CG2 3.66Å; M354-I358 HydrophobicContact CG-CB 4.12Å; M354-I358 HydrophobicContact CG-CG2 4.05Å; M354-L362 HydrophobicContact CE-CD1 3.25Å
355T53Low48.3Very low79 Ų79121.5 Ų121.549%0.48565%0.647SS.*PPolyproline II helixtrans-63.1145.1-178.853.30000108.5K353 S357 I358 R359K353-T355 PolarHBondContact O-N 3.49Å; T355-S357 PolarHBondContact O-N 2.9Å; T355-S357 VanDerWaalsContact O-N 3.12Å; T355-I358 PolarHBondContact O-N 3.48Å; T355-I358 VanDerWaalsContact OG1-CD1 3.28Å; T355-I358 WeakPolarHBondContact OG1-CD1 3.48Å; T355-I358 VanDerWaalsContact OG1-CG1 3.25Å; T355-I358 WeakPolarHBondContact OG1-CG1 3.18Å; T355-R359 PolarHBondContact O-N 3.4Å
356A56.1Low49.9Very low69 Ų69121.6 Ų121.657%0.5764%0.638SS**Hα-helixtrans-51.8-36.4178.600000111.5I358 R359 E360A356-I358 PolarHBondContact O-N 2.93Å; A356-R359 PolarHBondContact O-N 3.47Å; A356-E360 WeakPolarHBondContact O-CB 3.32Å; A356-E360 WeakPolarHBondContact O-CG 3.43Å; A356-E360 PolarHBondContact O-N 2.82Å
357S52.6Low51.2Low77 Ų77121 Ų12154%0.53863%0.625SS.*Hα-helixtrans-58.5-40.6173.8171.30000114T355 T361T355-S357 PolarHBondContact O-N 2.9Å; T355-S357 VanDerWaalsContact O-N 3.12Å; S357-T361 WeakPolarHBondContact O-CB 3.39Å; S357-T361 PolarHBondContact O-N 3.42Å; S357-T361 PolarHBondContact O-OG1 2.89Å
358I58.8Low52.3Low87 Ų87120.4 Ų120.445%0.44661%0.613SS.*Hα-helixtrans-73.7-34.5178.2-63.4168.7000110.7M354 T355 A356 L362M354-I358 HydrophobicContact CE-CB 4.43Å; M354-I358 HydrophobicContact CE-CG2 3.66Å; M354-I358 HydrophobicContact CG-CB 4.12Å; M354-I358 HydrophobicContact CG-CG2 4.05Å; T355-I358 PolarHBondContact O-N 3.48Å; T355-I358 VanDerWaalsContact OG1-CD1 3.28Å; T355-I358 WeakPolarHBondContact OG1-CD1 3.48Å; T355-I358 VanDerWaalsContact OG1-CG1 3.25Å; T355-I358 WeakPolarHBondContact OG1-CG1 3.18Å; A356-I358 PolarHBondContact O-N 2.93Å; I358-L362 HydrophobicContact CG2-CD1 4.18Å; I358-L362 WeakPolarHBondContact O-CB 3.37Å; I358-L362 PolarHBondContact O-N 3.05Å
359R57.6Low52.7Low160 Ų160119.6 Ų119.660%0.60460%0.603SS**Hα-helixtrans-66.7-44.1174.3-175178.9178.3175.4-0.4111.5T355 A356 L362 E363T355-R359 PolarHBondContact O-N 3.4Å; A356-R359 PolarHBondContact O-N 3.47Å; R359-L362 PolarHBondContact O-N 2.8Å; R359-E363 IonicContact NE-OE1 2.64Å; R359-E363 PolarHBondContact NE-OE1 2.88Å; R359-E363 IonicContact NH2-OE1 2.67Å; R359-E363 PolarHBondContact O-N 3.35Å
360E68.5Low53.2Low139 Ų139115.7 Ų115.765%0.6559%0.589SS**Hα-helixtrans-65.7-37.5176.7-74.9176.1-177.100112.1A356 E363 S364A356-E360 WeakPolarHBondContact O-CB 3.32Å; A356-E360 WeakPolarHBondContact O-CG 3.43Å; A356-E360 PolarHBondContact O-N 2.82Å; E360-E363 PolarHBondContact O-N 3.23Å; E360-S364 WeakPolarHBondContact O-CB 3.38Å; E360-S364 PolarHBondContact O-N 3.46Å
361T65.5Low53.7Low76 Ų76107.9 Ų107.947%0.46656%0.559SS.*Hα-helixtrans-68.7-36.4176.3-49.50000111.8S357 S364 F365S357-T361 WeakPolarHBondContact O-CB 3.39Å; S357-T361 PolarHBondContact O-N 3.42Å; S357-T361 PolarHBondContact O-OG1 2.89Å; T361-S364 PolarHBondContact O-OG 2.94Å; T361-F365 WeakPolarHBondContact O-CB 3.43Å; T361-F365 PolarHBondContact O-N 2.94Å; T361-F365 VanDerWaalsContact O-N 3.09Å
362L63.3Low54.2Low87 Ų87102.4 Ų102.446%0.45555%0.553SS.*Hα-helixtrans-72.3-38.6175.4-94.7156000112.4M354 I358 R359 F365 L366M354-L362 HydrophobicContact CE-CD1 3.25Å; I358-L362 HydrophobicContact CG2-CD1 4.18Å; I358-L362 WeakPolarHBondContact O-CB 3.37Å; I358-L362 PolarHBondContact O-N 3.05Å; R359-L362 PolarHBondContact O-N 2.8Å; L362-F365 PolarHBondContact O-N 2.88Å; L362-L366 WeakPolarHBondContact O-CB 3.2Å; L362-L366 VanDerWaalsContact O-CG 3.26Å; L362-L366 WeakPolarHBondContact O-CG 3.21Å; L362-L366 PolarHBondContact O-N 2.81Å
363E68.2Low54.2Low103 Ų103102.9 Ų102.948%0.48155%0.545SS..Hα-helixtrans-72.5-31.4175.7-69.6-158-154.500112.5R359 E360 T367R359-E363 IonicContact NE-OE1 2.64Å; R359-E363 PolarHBondContact NE-OE1 2.88Å; R359-E363 IonicContact NH2-OE1 2.67Å; R359-E363 PolarHBondContact O-N 3.35Å; E360-E363 PolarHBondContact O-N 3.23Å; E363-T367 WeakPolarHBondContact O-CB 3.43Å; E363-T367 VanDerWaalsContact O-CG2 3.27Å; E363-T367 WeakPolarHBondContact O-CG2 3.31Å; E363-T367 PolarHBondContact O-N 3.06Å; E363-T367 PolarHBondContact O-OG1 3.01Å
364S67.9Low54.4Low56 Ų5699.1 Ų99.139%0.39254%0.54SS..Hα-helixtrans-68.6-36.3170.785.30000112.5E360 T361 T367 N368E360-S364 WeakPolarHBondContact O-CB 3.38Å; E360-S364 PolarHBondContact O-N 3.46Å; T361-S364 PolarHBondContact O-OG 2.94Å; S364-T367 WeakPolarHBondContact CA-OG1 3.43Å; S364-T367 PolarHBondContact O-OG1 3.31Å; S364-T367 VanDerWaalsContact O-OG1 3.05Å; S364-N368 WeakPolarHBondContact O-CB 3.29Å; S364-N368 PolarHBondContact O-N 2.92Å
365F65.6Low54Low139 Ų139103.5 Ų103.561%0.6155%0.551SS**Hα-helixtrans-68.4-44.2175.6-122-92.5000111.9T361 L362 N368 V369T361-F365 WeakPolarHBondContact O-CB 3.43Å; T361-F365 PolarHBondContact O-N 2.94Å; T361-F365 VanDerWaalsContact O-N 3.09Å; L362-F365 PolarHBondContact O-N 2.88Å; F365-N368 PolarHBondContact O-N 3.34Å; F365-V369 WeakPolarHBondContact O-CG2 3.43Å; F365-V369 PolarHBondContact O-N 3.27Å
366L62.3Low53.1Low116 Ų116103.1 Ų103.161%0.60756%0.562SS**Hα-helixtrans-68.4-34.1179.2-69.3172.2000112.3L362 S370L362-L366 WeakPolarHBondContact O-CB 3.2Å; L362-L366 VanDerWaalsContact O-CG 3.26Å; L362-L366 WeakPolarHBondContact O-CG 3.21Å; L362-L366 PolarHBondContact O-N 2.81Å; L366-S370 WeakPolarHBondContact O-CB 2.8Å; L366-S370 PolarHBondContact O-N 2.98Å
367T61.7Low51.9Low84 Ų84108.4 Ų108.452%0.51558%0.575SS.*Hα-helixtrans-72.6-34.317449.60000112.5E363 S364 S371E363-T367 WeakPolarHBondContact O-CB 3.43Å; E363-T367 VanDerWaalsContact O-CG2 3.27Å; E363-T367 WeakPolarHBondContact O-CG2 3.31Å; E363-T367 PolarHBondContact O-N 3.06Å; E363-T367 PolarHBondContact O-OG1 3.01Å; S364-T367 WeakPolarHBondContact CA-OG1 3.43Å; S364-T367 PolarHBondContact O-OG1 3.31Å; S364-T367 VanDerWaalsContact O-OG1 3.05Å; T367-S371 VanDerWaalsContact O-CB 3.27Å; T367-S371 WeakPolarHBondContact O-CB 2.99Å; T367-S371 PolarHBondContact O-N 3.01Å; T367-S371 PolarHBondContact O-OG 3.27Å
368N51.9Low50.9Low101 Ų101110.2 Ų110.254%0.5459%0.587SS.*Hα-helixtrans-66.5-42.9171.6-81.6-11.6000112.1S364 F365 S371 S372S364-N368 WeakPolarHBondContact O-CB 3.29Å; S364-N368 PolarHBondContact O-N 2.92Å; F365-N368 PolarHBondContact O-N 3.34Å; N368-S371 WeakPolarHBondContact CA-OG 3.36Å; N368-S371 PolarHBondContact O-N 3.28Å; N368-S371 PolarHBondContact O-OG 2.77Å; N368-S371 VanDerWaalsContact O-OG 3.13Å; N368-S372 WeakPolarHBondContact O-CB 3.44Å; N368-S372 PolarHBondContact O-N 3.41Å; N368-S372 PolarHBondContact O-OG 3.01Å; N368-S372 VanDerWaalsContact O-OG 3.08Å
369V44.4Very low49.6Very low91 Ų91111.7 Ų111.755%0.55261%0.606SS**Hα-helixtrans-65.5-40.7176.5174.10000111.6F365 Y373F365-V369 WeakPolarHBondContact O-CG2 3.43Å; F365-V369 PolarHBondContact O-N 3.27Å; V369-Y373 PolarHBondContact O-N 3.39Å; V369-Y373 VanDerWaalsContact O-N 3.16Å
370S46.5Very low48.5Very low74 Ų74109.1 Ų109.152%0.51761%0.612SS.*Hα-helixtrans-68.9-37.6176.7-1610000112.5L366 Y373 S374L366-S370 WeakPolarHBondContact O-CB 2.8Å; L366-S370 PolarHBondContact O-N 2.98Å; S370-Y373 PolarHBondContact O-N 2.83Å; S370-S374 PolarHBondContact O-N 2.83Å; S370-S374 PolarHBondContact O-OG 3.34Å
371S41.6Very low46.8Very low35 Ų35111.1 Ų111.125%0.24562%0.622CS.*Hα-helixtrans-75.4-25.7177.364.60000114T367 N368 R375T367-S371 VanDerWaalsContact O-CB 3.27Å; T367-S371 WeakPolarHBondContact O-CB 2.99Å; T367-S371 PolarHBondContact O-N 3.01Å; T367-S371 PolarHBondContact O-OG 3.27Å; N368-S371 WeakPolarHBondContact CA-OG 3.36Å; N368-S371 PolarHBondContact O-N 3.28Å; N368-S371 PolarHBondContact O-OG 2.77Å; N368-S371 VanDerWaalsContact O-OG 3.13Å; S371-R375 WeakPolarHBondContact O-CB 3.35Å; S371-R375 PolarHBondContact O-N 3.04Å
372S40.7Very low45.3Very low94 Ų94115.9 Ų115.966%0.65764%0.638SS**Hα-helixtrans-72.9-31.1169-660000112.4N368N368-S372 WeakPolarHBondContact O-CB 3.44Å; N368-S372 PolarHBondContact O-N 3.41Å; N368-S372 PolarHBondContact O-OG 3.01Å; N368-S372 VanDerWaalsContact O-OG 3.08Å
373Y35.8Very low43.8Very low213 Ų213118.9 Ų118.984%0.83565%0.65SS**Hα-helixtrans-80.9-24.1177.1-151.1-95.6000113.1V369 S370V369-Y373 PolarHBondContact O-N 3.39Å; V369-Y373 VanDerWaalsContact O-N 3.16Å; S370-Y373 PolarHBondContact O-N 2.83Å
374S37.9Very low42.2Very low91 Ų91122.6 Ų122.664%0.63667%0.667SS**Hα-helixtrans-97.8-2.9178.1-59.30000115.4S370S370-S374 PolarHBondContact O-N 2.83Å; S370-S374 PolarHBondContact O-OG 3.34Å
375R34.2Very low40.3Very low203 Ų203123.1 Ų123.177%0.76668%0.682SS**SBendtrans-97.25.3174.6-85-171.4-163.5129.75115S371 H377S371-R375 WeakPolarHBondContact O-CB 3.35Å; S371-R375 PolarHBondContact O-N 3.04Å; R375-H377 PolarHBondContact O-N 2.74Å
376G32.9Very low38.9Very low70 Ų70123.5 Ų123.572%0.72270%0.696SS**SBendtrans-794.6174.600000115.3
377H31.2Very low37.6Very low180 Ų180125 Ų12583%0.83370%0.704SS**SBendtrans-14779.9-174.7-121.6-30.8000111.6R375R375-H377 PolarHBondContact O-N 2.74Å
378S32.7Very low36.4Very low115 Ų115128.9 Ų128.980%0.80472%0.722SS**  trans178.6120.7150.1570000111
379S31.1Very low35.6Very low119 Ų119129.7 Ų129.783%0.83273%0.73SS**  trans-60.6153178.7-44.30000115.5
380S34.6Very low35.1Very low106 Ų106133.2 Ų133.274%0.74175%0.746SS**  trans132.9106.7133.178.30000115.7
381E32.4Very low34.4Very low181 Ų181135.3 Ų135.385%0.84676%0.756SS**  trans48.5113134.4-58.1-179.1138.600120.9
382H33.6Very low34Very low175 Ų175138.5 Ų138.581%0.8178%0.784SS**  -172.2139.9109-116.2-66.8000112.9
383E31.5Very low33.6Very low150 Ų150139.5 Ų139.570%0.70179%0.786SS**  trans-49.3147176.6-61.5161.385.200116
384Q34.8Very low33.2Very low181 Ų181137.2 Ų137.285%0.84678%0.783SS**  174.2125.1100.7-108.3155.314.700112.6
385G29.1Very low33Very low68 Ų68140.5 Ų140.570%0.70179%0.792SS**  trans47.5115.3143.400000120.2
386T35.7Very low32.8Very low147 Ų147138.7 Ų138.790%0.90279%0.793SS**  -176.3137.7105.628.70000110.9
387N34.5Very low32.8Very low147 Ų147141 Ų14179%0.78680%0.795SS**  trans-56.5143.6-177.8-52.8-54.3000112.4
388N36.5Very low32.9Very low165 Ų165141.4 Ų141.488%0.88280%0.797SS**  trans-161.3118.9134-89.7-24.4000110.8
389V35.4Very low32.7Very low118 Ų118141.1 Ų141.172%0.71579%0.794SS**  trans-66.9129.6172175.20000108.4
390N34.4Very low32.8Very low165 Ų165140.3 Ų140.388%0.88279%0.789SS**  trans-147104152.7-91.9-25.8000110.2
391T32.7Very low32.7Very low119 Ų119144 Ų14473%0.7379%0.794SS**  trans-60.5120.8167.3-48.20000109.8V393T391-V393 HydrophobicContact CG2-CG2 4.13Å
392A31.6Very low32.7Very low102 Ų102143 Ų14384%0.84379%0.793SS**  trans-109.1102.9162.600000108
393V32.3Very low32.6Very low114 Ų114141 Ų14169%0.69179%0.793SS**  trans-76.6123.3164.5166.30000107.3T391 L395T391-V393 HydrophobicContact CG2-CG2 4.13Å; V393-L395 HydrophobicContact CG1-CD1 4.48Å; V393-L395 HydrophobicContact CG1-CG 4.28Å
394E27.7Very low32.5Very low166 Ų166137.9 Ų137.978%0.77679%0.793SS**  trans-84.9121.8171.8-171.6159-177.600108.8
395L33Very low32.4Very low159 Ų159138 Ų13883%0.83279%0.793SS**  trans-127.1122.6165.9-82.4167.9000107.9V393V393-L395 HydrophobicContact CG1-CD1 4.48Å; V393-L395 HydrophobicContact CG1-CG 4.28Å
396Q30.4Very low32.6Very low166 Ų166140 Ų14078%0.77680%0.797SS**  trans-71.5158.9178-73.8-163-49.400112.5
397P33.3Very low32.4Very low118 Ų118142 Ų14277%0.76680%0.801SS**  trans-97.7141.5-168.336.2-28.6000112.8
398E34Very low32.4Very low188 Ų188139.3 Ų139.388%0.87980%0.799SS**  trans-147142.9156-79.3-151.5152.400112.5
399C28.4Very low32.4Very low110 Ų110141.7 Ų141.774%0.74380%0.801SS**  trans82.5120.4149.7-83.20000123.4
400S33.9Very low32.3Very low102 Ų102139.5 Ų139.571%0.71380%0.802SS**  trans72.2106.5139.360.90000119
401Q31.2Very low32.2Very low183 Ų183141.9 Ų141.986%0.85581%0.805SS**  63.1120.492.7-108173.6-3.600113.8
402I33.7Very low32Very low161 Ų161145.2 Ų145.283%0.82681%0.812SS**  trans157.3131.9132.5-74.8153.5000110.3
403V29.9Very low31.9Very low133 Ų133147 Ų14781%0.80682%0.817SS**  trans87.492.8168.7-151.70000119.3
404A29.5Very low31.7Very low84 Ų84146.6 Ų146.669%0.69482%0.819SS**  trans-81169.5148.800000111
405E34.2Very low32.1Very low182 Ų182147.3 Ų147.385%0.8582%0.822SS**  trans82.9103.7165.5-61.4-178.7146.400118
406S32.1Very low32.2Very low112 Ų112144 Ų14478%0.78381%0.813SS**  154.9100.3120.4-72.60000109.9
407L31.7Very low32.4Very low188 Ų188142.7 Ų142.798%0.98481%0.811SS**  trans-171.572.8148.8-99.6145.4000109.2
408A35.1Very low32.4Very low90 Ų90142.9 Ų142.974%0.74481%0.81SS**  trans-119.3128.4158.700000108
409K36.9Very low32.5Very low216 Ų216142.5 Ų142.594%0.93981%0.808SS**  trans82.4121.2171.7-57173177.7174.90117
410G31.8Very low32.8Very low71 Ų71142.6 Ų142.673%0.73281%0.81SS**  trans150.492.3143.800000117.5
411K33.6Very low32.7Very low215 Ų215141 Ų14194%0.93581%0.809SS**  trans62.4133.7136.2-75.8178.2170.4-177.40121.9
412Q28.5Very low33Very low189 Ų189140.8 Ų140.888%0.88381%0.814SS**  trans-62.1150.6165.1-73.9158.9-62.400113.2
413C28.6Very low33Very low140 Ų140139.9 Ų139.995%0.94681%0.81SS**  trans-161.1143.7134.6-97.20000109.6
414S29Very low33.3Very low105 Ų105140 Ų14073%0.73481%0.806SS**  trans-109.5154.3179.647.70000110.7
415E35Very low33.6Very low182 Ų182143.8 Ų143.885%0.8581%0.81SS**  trans153109.1152.7-90165.916900107.1
416S34.5Very low33.6Very low90 Ų90142.2 Ų142.263%0.62981%0.806SS**  61.5118.978.768.40000115.6
417D35.4Very low33.7Very low137 Ų137143.6 Ų143.673%0.73380%0.804SS**  trans91.9110.9144.3-54.9-23.2000121.6
418T33.8Very low33.8Very low123 Ų123141.1 Ų141.176%0.75579%0.792SS**  64.8120.6129.158.40000120.7
419E36.3Very low33.8Very low179 Ų179142 Ų14284%0.83679%0.793SS**  174139.496.7-91.8-170131.700112.1
420S35.2Very low33.8Very low113 Ų113140.7 Ų140.779%0.7979%0.79SS**  trans32.4130.3148.761.60000120.3
421G30.8Very low33.7Very low67 Ų67142.6 Ų142.669%0.69179%0.792SS**  cis120.6116.233.200000108.7
422L37.6Very low33.7Very low180 Ų180139.1 Ų139.194%0.94279%0.789SS**  trans-160.1132.1158-111.6142.7000110.8
423N32.9Very low33.8Very low142 Ų142135.2 Ų135.276%0.75978%0.783SS**  trans-90.4177.2-161.3-60.7-43.8000114.5
424N37.4Very low34.1Very low134 Ų134134.4 Ų134.472%0.71777%0.773SS**  trans82.2144.9152.3-66.710.1000116.9
425E36.1Very low34.1Very low164 Ų164137.8 Ų137.877%0.76678%0.78SS**  cis-165.1154.1-3.9-12016711500106.5
426I33.2Very low34.1Very low150 Ų150135.8 Ų135.877%0.76977%0.773SS**  trans-89.8143.3174.6-68.9165.1000108.6
427N34Very low34.2Very low140 Ų140137.3 Ų137.375%0.74978%0.779SS**  trans-172.4125.5137.7-89.7-18.9000113.9
428D33.2Very low34Very low136 Ų136139.9 Ų139.973%0.72779%0.786SS**  trans51.9125.9137.4-62.4-25.3000123.4
429S36.8Very low34.1Very low109 Ų109140.5 Ų140.576%0.76279%0.789SS**  144.9118.5109.8-58.60000115.6
430Q36.7Very low33.8Very low188 Ų188140.5 Ų140.588%0.87979%0.786SS**  trans44.4117.1135.9-73.1175.50.100123.8
431S29.3Very low33.9Very low112 Ų112141.5 Ų141.578%0.78379%0.787SS**  45.4114.2120.3-158.40000121.2
432T33.4Very low34Very low141 Ų141144.6 Ų144.687%0.86578%0.784SS**  trans-155130.7140.939.90000112.1
433S29.8Very low33.7Very low108 Ų108142.5 Ų142.576%0.75578%0.778SS**  trans-66.6141.7169.3161.40000112.6
434V35.1Very low33.8Very low123 Ų123142.2 Ų142.275%0.74578%0.777SS**  trans-141.9120.2162.4-179.30000110.2I436V434-I436 HydrophobicContact CG1-CD1 4.15Å; V434-I436 HydrophobicContact CG1-CG1 3.98Å
435M29.4Very low33.6Very low176 Ų176144.2 Ų144.287%0.86778%0.78SS**  trans-89.3134.7166.2-80.4-121.1-110.400110.5
436I34.7Very low33.7Very low140 Ų140144.1 Ų144.172%0.71879%0.785SS**  trans-150.194.4164.8-59.2-176.9000106.9V434V434-I436 HydrophobicContact CG1-CD1 4.15Å; V434-I436 HydrophobicContact CG1-CG1 3.98Å
437T36.5Very low33.7Very low122 Ų122142.9 Ų142.975%0.74878%0.779SS**  63.9127.896.356.80000118.1
438H31.7Very low33.8Very low191 Ų191144.6 Ų144.688%0.88479%0.787SS**  trans-27.5140.9175.4-77.4-99.5000118.9
439V36.3Very low33.8Very low135 Ų135144.4 Ų144.482%0.81879%0.786SS**  trans-117.6121.4155.7179.40000109.2
440K30.3Very low34Very low179 Ų179145.9 Ų145.978%0.77879%0.79SS**PPolyproline II helixtrans-96.5125.1175179.8177.9-177.4179.40107.3
441V37.5Very low34.1Very low134 Ų134145.2 Ų145.281%0.81279%0.787SS**PPolyproline II helixtrans-97.3118.7173.1-177.10000108.5
442H32.6Very low34.7Very low133 Ų133147.9 Ų147.962%0.61679%0.787SS**PPolyproline II helixtrans-69.2137175.9-113.8-110.8000110.5D444H442-D444 IonicContact ND1-OD2 2.84Å; H442-D444 PolarHBondContact ND1-OD2 3.39Å; H442-D444 VanDerWaalsContact ND1-OD2 3.1Å
443T31.6Very low35Very low135 Ų135145.1 Ų145.183%0.82877%0.774SS**PPolyproline II helixtrans-97.9117.7158.449.50000107.2
444D35Very low35.5Very low137 Ų137148.7 Ų148.773%0.73378%0.778SS**  trans-120.7131.2164.7-79.7-50000109.1H442H442-D444 IonicContact ND1-OD2 2.84Å; H442-D444 PolarHBondContact ND1-OD2 3.39Å; H442-D444 VanDerWaalsContact ND1-OD2 3.1Å
445F32.7Very low36.4Very low175 Ų175152.7 Ų152.777%0.76880%0.802SS**  trans-117.1108.1-173.6-170.3-88.4000104.8L447F445-L447 HydrophobicContact CD1-CD1 4.29Å; F445-L447 HydrophobicContact CE1-CD1 3.49Å; F445-L447 VanDerWaalsContact CE1-CD1 3.49Å; F445-L447 HydrophobicContact CZ-CD1 4.24Å
446D37.9Very low36.7Very low163 Ų163151.6 Ų151.687%0.87280%0.799SS**  trans-115.8108.6171.9-83.5-34.9000109.7
447L32.6Very low36.8Very low124 Ų124152.2 Ų152.265%0.64980%0.803SS**  trans-72.6135.2159.6-124.9101.7000108.1F445F445-L447 HydrophobicContact CD1-CD1 4.29Å; F445-L447 HydrophobicContact CE1-CD1 3.49Å; F445-L447 VanDerWaalsContact CE1-CD1 3.49Å; F445-L447 HydrophobicContact CZ-CD1 4.24Å
448L37.5Very low36.8Very low175 Ų175153.8 Ų153.892%0.91681%0.807SS**  trans-159119147.1-106.7154.7000110.4
449D32.8Very low37.1Very low132 Ų132151.6 Ų151.671%0.70680%0.802SS**  trans-55.1148.4169.5-73.1-55.3000113.1
450T41.2Very low37.2Very low140 Ų140152.7 Ų152.786%0.85980%0.801SS**  -174107.8123.440.30000111.5
451H38.2Very low37.6Very low175 Ų175150.9 Ų150.981%0.8180%0.802SS**  43.6146.2123.6-115-96.7000124.1
452E41.4Very low37.7Very low167 Ų167152.1 Ų152.178%0.7880%0.802SS**  trans80.2122.7161.2-70.1-178.7106.200117.5
453S39.5Very low38Very low83 Ų83153.6 Ų153.658%0.5882%0.816SS**  cis121140.521680000109.4
454H41.9Very low38.6Very low183 Ų183155.2 Ų155.285%0.84782%0.815SS**  trans70.9120.8176.6-65.6-80.2000116
455V52.2Low38.9Very low208 Ų208156.8 Ų156.8100%1.26182%0.823SS**  cis-141.7038.9166.50000111

Retrieved 455 of 455 residues in 123.6 ms (Link to these results)

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