A0A087WT55_HUMAN Loading...

5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase

AlphaFold DB , UniProt , Accession A0A087WT55, Species HUMAN (Homo sapiens, Human), Gene DCP1A, Length 260 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
1M48.1Very low69.9Low219 Ų219113.1 Ų113.1100%1.07960%0.599SS**  0-28.50-91.8-174.9-104.900113
2E52.9Low71.4Confident167 Ų167106.8 Ų106.878%0.7857%0.571SS**Hα-helixtrans-69.3-32.8-177.5-66.2171.5141.800115.3L4 S5 R6E2-L4 PolarHBondContact O-N 3.27Å; E2-S5 PolarHBondContact O-N 3.33Å; E2-R6 PolarHBondContact O-N 3.42Å; E2-R6 VanDerWaalsContact O-N 3.09Å
3A49.1Very low72.8Confident81 Ų81101.5 Ų101.567%0.66954%0.542SS*.Hα-helixtrans-66.6-35.2-179.100000113.4A7A3-A7 PolarHBondContact O-N 3.19Å; A3-A7 VanDerWaalsContact O-N 3.16Å
4L53.2Low74.1Confident144 Ų14497.9 Ų97.975%0.75453%0.534SS*.Hα-helixtrans-70.1-35.4175.5-76.7160.8000111.8E2 G8E2-L4 PolarHBondContact O-N 3.27Å; L4-G8 PolarHBondContact O-N 3.13Å; L4-G8 VanDerWaalsContact O-N 3.07Å
5S68.5Low75.2Confident76 Ų7694.6 Ų94.653%0.53153%0.525SS..Hα-helixtrans-65.1-43.1175.1-175.40000111.5E2 G8 Q9E2-S5 PolarHBondContact O-N 3.33Å; S5-G8 PolarHBondContact O-N 3.39Å; S5-Q9 PolarHBondContact O-N 3.33Å
6R76.3Confident76.2Confident165 Ų16589.8 Ų89.862%0.62350%0.498SS*.Hα-helixtrans-64.6-46.9178.4-168.3-177.4-59.5-106.7-2.5112.5E2 G8 Q9 E10E2-R6 PolarHBondContact O-N 3.42Å; E2-R6 VanDerWaalsContact O-N 3.09Å; R6-G8 VanDerWaalsContact C-N 3.31Å; R6-G8 PolarHBondContact O-N 3.3Å; R6-Q9 PolarHBondContact O-N 3.14Å; R6-E10 WeakPolarHBondContact O-CG 3Å; R6-E10 PolarHBondContact O-N 2.97Å
7A80.3Confident77.1Confident42 Ų4289.8 Ų89.835%0.34749%0.491SS..Hα-helixtrans-61.8-40.117700000111.8A3 E10 M11A3-A7 PolarHBondContact O-N 3.19Å; A3-A7 VanDerWaalsContact O-N 3.16Å; A7-E10 PolarHBondContact O-N 3.39Å; A7-M11 WeakPolarHBondContact O-CG 3.22Å; A7-M11 PolarHBondContact O-N 3Å
8G81.8Confident77.9Confident24 Ų2494 Ų9425%0.24751%0.507CS..Hα-helixtrans-58.1-48.5173.800000112.2L4 S5 R6 E10 M11 S12L4-G8 PolarHBondContact O-N 3.13Å; L4-G8 VanDerWaalsContact O-N 3.07Å; S5-G8 PolarHBondContact O-N 3.39Å; R6-G8 VanDerWaalsContact C-N 3.31Å; R6-G8 PolarHBondContact O-N 3.3Å; G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 2.98Å; G8-M11 PolarHBondContact O-N 2.83Å; G8-S12 PolarHBondContact O-N 3.2Å; G8-S12 PolarHBondContact O-OG 3.03Å; G8-S12 VanDerWaalsContact O-OG 3.08Å
9Q82.4Confident78.5Confident76 Ų7697.4 Ų97.436%0.35552%0.519SS..Hα-helixtrans-63.5-37.9178.4-168.9176.64.300112.7S5 R6 L13 I26S5-Q9 PolarHBondContact O-N 3.33Å; R6-Q9 PolarHBondContact O-N 3.14Å; Q9-L13 VanDerWaalsContact O-CB 3.32Å; Q9-L13 WeakPolarHBondContact O-CB 3.5Å; Q9-L13 PolarHBondContact O-N 2.95Å; Q9-I26 HydrophobicContact CG-CB 4.46Å; Q9-I26 HydrophobicContact CG-CD1 3.88Å
10E88.1Confident79Confident118 Ų11894 Ų9455%0.55150%0.501SS*.Hα-helixtrans-65.5-44176-73.8172.3-166.500112.1R6 A7 G8 L13 A14R6-E10 WeakPolarHBondContact O-CG 3Å; R6-E10 PolarHBondContact O-N 2.97Å; A7-E10 PolarHBondContact O-N 3.39Å; G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 2.98Å; E10-L13 PolarHBondContact O-N 3.25Å; E10-A14 WeakPolarHBondContact O-CB 3.44Å; E10-A14 PolarHBondContact O-N 3.05Å
11M88.6Confident79.7Confident132 Ų13294.5 Ų94.565%0.6551%0.509SS*.Hα-helixtrans-63.2-45.3175.6-70-175.4-64.200111.3A7 G8 L13 A14 A15A7-M11 WeakPolarHBondContact O-CG 3.22Å; A7-M11 PolarHBondContact O-N 3Å; G8-M11 PolarHBondContact O-N 2.83Å; M11-L13 PolarHBondContact O-N 3.26Å; M11-A14 PolarHBondContact O-N 3.46Å; M11-A15 PolarHBondContact O-N 2.9Å
12S87.8Confident81.7Confident37 Ų3789.9 Ų89.926%0.25948%0.481SS..Hα-helixtrans-61.1-44.3175.8-61.40000111.7G8 A14 A15 L16 F42G8-S12 PolarHBondContact O-N 3.2Å; G8-S12 PolarHBondContact O-OG 3.03Å; G8-S12 VanDerWaalsContact O-OG 3.08Å; S12-A14 VanDerWaalsContact C-N 3.32Å; S12-A14 PolarHBondContact O-N 2.74Å; S12-A15 PolarHBondContact O-N 3.44Å; S12-L16 VanDerWaalsContact O-CG 3.3Å; S12-L16 WeakPolarHBondContact O-CG 3.44Å; S12-L16 PolarHBondContact O-N 3.33Å; S12-F42 WeakPolarHBondContact OG-CZ 3.18Å
13L89.9Confident83.5Confident38 Ų3882.2 Ų82.220%0.19945%0.445CS..Hα-helixtrans-61.1-42177.2-179.863000111.7Q9 E10 M11 L16 K17 I23 I26Q9-L13 VanDerWaalsContact O-CB 3.32Å; Q9-L13 WeakPolarHBondContact O-CB 3.5Å; Q9-L13 PolarHBondContact O-N 2.95Å; E10-L13 PolarHBondContact O-N 3.25Å; M11-L13 PolarHBondContact O-N 3.26Å; L13-L16 PolarHBondContact O-N 3.02Å; L13-K17 HydrophobicContact CG-CD 4.39Å; L13-K17 WeakPolarHBondContact O-CB 3.49Å; L13-K17 WeakPolarHBondContact O-CG 3.42Å; L13-K17 PolarHBondContact O-N 2.95Å; L13-I23 HydrophobicContact CD1-CG2 3.84Å; L13-I26 HydrophobicContact CB-CD1 3.9Å; L13-I26 HydrophobicContact CB-CG1 4.46Å; L13-I26 HydrophobicContact CD1-CG1 4.23Å
14A90.6Very high85.5Confident52 Ų5281.5 Ų81.543%0.4343%0.433SS..Hα-helixtrans-63.9-42.7176.900000111.8E10 M11 S12 K17 Q18E10-A14 WeakPolarHBondContact O-CB 3.44Å; E10-A14 PolarHBondContact O-N 3.05Å; M11-A14 PolarHBondContact O-N 3.46Å; S12-A14 VanDerWaalsContact C-N 3.32Å; S12-A14 PolarHBondContact O-N 2.74Å; A14-K17 PolarHBondContact O-N 3.44Å; A14-Q18 PolarHBondContact O-N 3.29Å
15A90.6Very high87.2Confident48 Ų4876.5 Ų76.540%0.39741%0.41SS..Hα-helixtrans-63-44.8176.600000111.9M11 S12 K17 Q18M11-A15 PolarHBondContact O-N 2.9Å; S12-A15 PolarHBondContact O-N 3.44Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 3.43Å; A15-Q18 WeakPolarHBondContact O-CB 3.35Å; A15-Q18 PolarHBondContact O-N 3.27Å
16L90.6Very high88Confident17 Ų1773.6 Ų73.69%0.08939%0.388CS..Hα-helixtrans-61.7-40.3176.7-68.6179.5000112S12 L13 Q18 H19 D20 I23 I26 F42 T55 V57S12-L16 VanDerWaalsContact O-CG 3.3Å; S12-L16 WeakPolarHBondContact O-CG 3.44Å; S12-L16 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 3.02Å; L16-Q18 VanDerWaalsContact C-N 3.27Å; L16-Q18 PolarHBondContact O-N 3.39Å; L16-H19 PolarHBondContact O-N 2.67Å; L16-H19 VanDerWaalsContact O-N 3.12Å; L16-D20 PolarHBondContact O-N 3.38Å; L16-I23 HydrophobicContact CB-CD1 3.84Å; L16-I26 HydrophobicContact CD1-CD1 4.5Å; L16-I26 HydrophobicContact CD1-CG1 4.31Å; L16-F42 HydrophobicContact CD1-CB 4.11Å; L16-F42 HydrophobicContact CD1-CD1 4.11Å; L16-F42 HydrophobicContact CD1-CG 4.06Å; L16-T55 HydrophobicContact CD1-CG2 4.22Å; L16-T55 HydrophobicContact CD2-CG2 3.6Å; L16-V57 HydrophobicContact CD2-CG2 4.27Å
17K92.8Very high87.7Confident90 Ų9068 Ų6839%0.39138%0.377SS..Hα-helixtrans-64-26.3176.7-80.6177.6170.2178.40114.4L13 A14 A15 H19 D20 I23L13-K17 HydrophobicContact CG-CD 4.39Å; L13-K17 WeakPolarHBondContact O-CB 3.49Å; L13-K17 WeakPolarHBondContact O-CG 3.42Å; L13-K17 PolarHBondContact O-N 2.95Å; A14-K17 PolarHBondContact O-N 3.44Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 3.43Å; K17-H19 PolarHBondContact O-N 3.31Å; K17-D20 WeakPolarHBondContact CA-O 3.26Å; K17-D20 CarbonylContact O-C 3.18Å; K17-I23 WeakPolarHBondContact CE-O 3.26Å; K17-I23 HydrophobicContact CG-CB 4.26Å
18Q91.4Very high87.4Confident166 Ų16667.1 Ų67.178%0.77637%0.367SS*.Hα-helixtrans-66.4-30.2174.9-70.6-179.4100112A14 A15 L16A14-Q18 PolarHBondContact O-N 3.29Å; A15-Q18 WeakPolarHBondContact O-CB 3.35Å; A15-Q18 PolarHBondContact O-N 3.27Å; L16-Q18 VanDerWaalsContact C-N 3.27Å; L16-Q18 PolarHBondContact O-N 3.39Å
19H87.8Confident87.1Confident159 Ų15968.8 Ų68.874%0.73637%0.37SS*.Hα-helixtrans-90.8-35.1177.5-68.7-74.9000112.9L16 K17L16-H19 PolarHBondContact O-N 2.67Å; L16-H19 VanDerWaalsContact O-N 3.12Å; K17-H19 PolarHBondContact O-N 3.31Å
20D90.2Very high86.4Confident28 Ų2865.5 Ų65.515%0.1535%0.354CS..  trans-135.1103.4175.5-178.3-2.3000111.4L16 K17 Y22 I23 R46L16-D20 PolarHBondContact O-N 3.38Å; K17-D20 WeakPolarHBondContact CA-O 3.26Å; K17-D20 CarbonylContact O-C 3.18Å; D20-Y22 PolarHBondContact O-N 3.4Å; D20-Y22 VanDerWaalsContact O-N 3.09Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.31Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.49Å; D20-Y22 PolarHBondContact OD1-N 2.83Å; D20-I23 HydrophobicContact CB-CD1 3.79Å; D20-I23 HydrophobicContact CB-CG1 3.85Å; D20-I23 PolarHBondContact O-N 3.5Å; D20-R46 IonicContact OD1-NH2 2.97Å; D20-R46 IonicContact OD2-CZ 3.77Å; D20-R46 IonicContact OD2-NE 4Å; D20-R46 PolarHBondContact OD2-NE 2.85Å; D20-R46 IonicContact OD2-NH2 3.06Å; D20-R46 PolarHBondContact OD2-NH2 2.97Å
21P92.1Very high84.5Confident105 Ų10561 Ų6168%0.68234%0.339SS*.THydrogen-bonded Turntrans-61.1-19-179.3-24.434.1000114.8I23P21-I23 VanDerWaalsContact C-N 3.32Å
22Y91.8Very high82.6Confident122 Ų12254.9 Ų54.948%0.47831%0.309SS..THydrogen-bonded Turntrans-81.8-10.7-177.6-63.4-75.7000113D20 T24 R46 S47 A48D20-Y22 PolarHBondContact O-N 3.4Å; D20-Y22 VanDerWaalsContact O-N 3.09Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.31Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.49Å; D20-Y22 PolarHBondContact OD1-N 2.83Å; Y22-T24 PolarHBondContact O-N 3.27Å; Y22-R46 CarbonylContact O-C 3.49Å; Y22-R46 WeakPolarHBondContact O-CA 3.19Å; Y22-S47 WeakPolarHBondContact CD1-OG 3.38Å; Y22-S47 PolarHBondContact O-N 2.64Å; Y22-A48 HydrophobicContact CD1-CB 3.88Å; Y22-A48 HydrophobicContact CE1-CB 4.16Å; Y22-A48 HydrophobicContact CG-CB 4.25Å
23I90.3Very high80.3Confident6 Ų657.4 Ų57.43%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-63.8128.5178.4-63.6-179.2000110.3L13 L16 K17 D20 P21 Y44 R45 R46L13-I23 HydrophobicContact CD1-CG2 3.84Å; L16-I23 HydrophobicContact CB-CD1 3.84Å; K17-I23 WeakPolarHBondContact CE-O 3.26Å; K17-I23 HydrophobicContact CG-CB 4.26Å; D20-I23 HydrophobicContact CB-CD1 3.79Å; D20-I23 HydrophobicContact CB-CG1 3.85Å; D20-I23 PolarHBondContact O-N 3.5Å; P21-I23 VanDerWaalsContact C-N 3.32Å; I23-Y44 HydrophobicContact CB-CD2 4.41Å; I23-Y44 HydrophobicContact CD1-CD1 4.47Å; I23-Y44 HydrophobicContact CD1-CD2 3.69Å; I23-Y44 HydrophobicContact CD1-CE1 4.41Å; I23-Y44 HydrophobicContact CD1-CE2 3.58Å; I23-Y44 HydrophobicContact CD1-CG 4.13Å; I23-Y44 HydrophobicContact CG1-CD2 3.57Å; I23-Y44 HydrophobicContact CG1-CE2 3.66Å; I23-Y44 HydrophobicContact CG1-CG 4.35Å; I23-Y44 HydrophobicContact CG2-CD2 4.16Å; I23-Y44 HydrophobicContact CG2-CG 4.32Å; I23-R45 CarbonylContact C-O 3.55Å; I23-R45 WeakPolarHBondContact CA-O 3.37Å; I23-R46 HydrophobicContact CG1-CG 4.42Å
24T90.3Very high78.2Confident67 Ų6764.7 Ų64.741%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-107.1-44.8-175.154.60000112.6Y22 R45Y22-T24 PolarHBondContact O-N 3.27Å; T24-R45 PolarHBondContact N-O 2.97Å; T24-R45 VanDerWaalsContact OG1-CB 3.29Å; T24-R45 WeakPolarHBondContact OG1-CB 3.17Å; T24-R45 PolarHBondContact OG1-O 3.19Å
25S88.6Confident76.9Confident39 Ų3966.5 Ų66.527%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-154.5150.6-177.562.50000112.1Y44 R45S25-Y44 VanDerWaalsContact O-CA 3.3Å; S25-Y44 WeakPolarHBondContact O-CA 3.35Å; S25-Y44 WeakPolarHBondContact O-CB 3.42Å; S25-R45 PolarHBondContact O-N 3.1Å
26I85.6Confident76.2Confident15 Ų1569.4 Ų69.48%0.07736%0.362CS..EExtended strand (participates in β ladder)trans-84.4125.6167.3-63.8161.2000108.4Q9 L13 L16 L29 F42 V43Q9-I26 HydrophobicContact CG-CB 4.46Å; Q9-I26 HydrophobicContact CG-CD1 3.88Å; L13-I26 HydrophobicContact CB-CD1 3.9Å; L13-I26 HydrophobicContact CB-CG1 4.46Å; L13-I26 HydrophobicContact CD1-CG1 4.23Å; L16-I26 HydrophobicContact CD1-CD1 4.5Å; L16-I26 HydrophobicContact CD1-CG1 4.31Å; I26-L29 HydrophobicContact CG2-CD2 3.7Å; I26-L29 HydrophobicContact CG2-CG 4.18Å; I26-F42 HydrophobicContact CD1-CD1 3.68Å; I26-F42 HydrophobicContact CD1-CE1 3.85Å; I26-F42 HydrophobicContact CG1-CD1 3.96Å; I26-F42 HydrophobicContact CG2-CD1 3.86Å; I26-V43 CarbonylContact C-O 3.42Å
27A70.7Confident76Confident47 Ų4770.2 Ų70.239%0.38837%0.366SS..EExtended strand (participates in β ladder)trans-86.8-36.9177.600000112.8V43 L108A27-V43 HydrophobicContact CB-CB 4.28Å; A27-V43 HydrophobicContact CB-CG1 4.38Å; A27-V43 PolarHBondContact N-O 3.34Å; A27-L108 HydrophobicContact CB-CD2 4.14Å
28D73.9Confident75.8Confident24 Ų2467.3 Ų67.313%0.12835%0.354CS..EExtended strand (participates in β ladder)trans-160.3161.8-178.2-151.1-24.4000112.8F42 V43 R104 I105 L108D28-F42 WeakPolarHBondContact O-CA 3.47Å; D28-V43 PolarHBondContact O-N 3.04Å; D28-R104 VanDerWaalsContact CG-NE 3.35Å; D28-R104 IonicContact OD1-CZ 2.75Å; D28-R104 IonicContact OD1-NE 3.98Å; D28-R104 PolarHBondContact OD1-NE 2.8Å; D28-R104 IonicContact OD1-NH2 3.05Å; D28-R104 PolarHBondContact OD1-NH2 3.22Å; D28-R104 WeakPolarHBondContact OD2-CD 3.4Å; D28-R104 WeakPolarHBondContact OD2-CG 3.45Å; D28-R104 IonicContact OD2-CZ 3.41Å; D28-R104 IonicContact OD2-NE 2.64Å; D28-R104 PolarHBondContact OD2-NE 3.14Å; D28-R104 IonicContact OD2-NH2 3.75Å; D28-I105 HydrophobicContact CB-CD1 3.44Å; D28-I105 VanDerWaalsContact CB-CD1 3.44Å; D28-I105 VanDerWaalsContact OD2-CD1 3.29Å; D28-I105 WeakPolarHBondContact OD2-CD1 3.3Å; D28-L108 HydrophobicContact CB-CD2 3.8Å
29L74.3Confident75.9Confident59 Ų5959.5 Ų59.531%0.30932%0.318SS..EExtended strand (participates in β ladder)trans-138.5125.4-172.6-61.6-180000112.8I26 T40 L41 F42I26-L29 HydrophobicContact CG2-CD2 3.7Å; I26-L29 HydrophobicContact CG2-CG 4.18Å; L29-T40 HydrophobicContact CD2-CG2 4.35Å; L29-L41 VanDerWaalsContact CA-O 3.32Å; L29-L41 WeakPolarHBondContact CA-O 3.46Å; L29-F42 HydrophobicContact CD2-CD1 3.02Å; L29-F42 HydrophobicContact CD2-CE1 2.99Å; L29-F42 HydrophobicContact CD2-CG 3.87Å; L29-F42 HydrophobicContact CD2-CZ 3.81Å; L29-F42 HydrophobicContact CG-CE1 4.43Å
30T68.4Low76.1Confident6 Ų654.8 Ų54.84%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-154.2151.6176.967.70000113T40 L41 F96 D101 I105T30-T40 CarbonylContact O-C 3.59Å; T30-T40 WeakPolarHBondContact O-CA 3.38Å; T30-L41 PolarHBondContact N-O 3.17Å; T30-L41 WeakPolarHBondContact O-CB 3.26Å; T30-L41 PolarHBondContact O-N 3.29Å; T30-F96 HydrophobicContact CG2-CD1 4.25Å; T30-F96 HydrophobicContact CG2-CE1 4.04Å; T30-F96 WeakPolarHBondContact OG1-CE1 3.34Å; T30-D101 HydrophobicContact CG2-CB 3.49Å; T30-D101 VanDerWaalsContact CG2-CB 3.49Å; T30-I105 HydrophobicContact CG2-CD1 4Å; T30-I105 HydrophobicContact CG2-CG1 3.61Å
31G49.2Very low76.4Confident23 Ų2353.4 Ų53.424%0.23729%0.293CS..EExtended strand (participates in β ladder)trans-99.7150.3179.400000115.7G39 Y97G31-G39 CarbonylContact C-O 3.59Å; G31-G39 VanDerWaalsContact CA-O 3.25Å; G31-G39 WeakPolarHBondContact CA-O 2.86Å; G31-Y97 VanDerWaalsContact O-CD2 3.31Å; G31-Y97 WeakPolarHBondContact O-CD2 3.35Å
32Q48.2Very low76.6Confident4 Ų448.9 Ų48.92%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-145.6154.8-173.1-56.8-178.7-4800115.5E38 G39 I94 W95Q32-E38 VanDerWaalsContact O-CA 3.27Å; Q32-E38 WeakPolarHBondContact O-CA 3.48Å; Q32-E38 WeakPolarHBondContact O-CG 3.46Å; Q32-G39 PolarHBondContact N-O 3.2Å; Q32-G39 PolarHBondContact O-N 3.19Å; Q32-G39 VanDerWaalsContact O-N 3.13Å; Q32-I94 HydrophobicContact CB-CG2 4.41Å; Q32-I94 HydrophobicContact CG-CG2 4.25Å; Q32-W95 WeakPolarHBondContact CA-O 3.43Å; Q32-W95 WeakPolarHBondContact CB-O 3.41Å; Q32-W95 WeakPolarHBondContact CG-O 3.09Å
33E39.8Very low76.8Confident90 Ų9043.1 Ų43.142%0.42124%0.24SC..  trans-141.6150.8-177.5-169.7175.4167.200114E38 W95 Y97E33-E38 HydrophobicContact CB-CG 4.2Å; E33-E38 HydrophobicContact CG-CG 4.3Å; E33-W95 HydrophobicContact CB-CE3 3.72Å; E33-W95 HydrophobicContact CB-CZ3 3.73Å; E33-Y97 WeakPolarHBondContact CB-OH 3.47Å; E33-Y97 PolarHBondContact OE2-OH 3.25Å
34K45.9Very low77.2Confident192 Ų19243.3 Ų43.384%0.83524%0.24SC*.SBendtrans96.849.5171.2-142.7170.2-176.8172.90118
35T61.7Low77.5Confident89 Ų8946.5 Ų46.555%0.54625%0.245SC..SBendtrans-142.7-173.8143.451.50000106.4I37T35-I37 PolarHBondContact O-N 3.48Å; T35-I37 PolarHBondContact OG1-N 2.85Å; T35-I37 PolarHBondContact OG1-O 2.98Å; T35-I37 VanDerWaalsContact OG1-O 3.11Å
36D76.6Confident77.9Confident110 Ų11046.8 Ų46.859%0.58824%0.24SC*.SBendtrans-63.72165.259.3-41.4000113.3N58 N61D36-N58 PolarHBondContact O-ND2 2.88Å; D36-N61 PolarHBondContact O-ND2 2.97Å
37I85.4Confident78.3Confident33 Ų3349.7 Ų49.717%0.16926%0.262CS..  trans-113.9117.5174.1-51.1178.9000109T35 I56 N58 L65T35-I37 PolarHBondContact O-N 3.48Å; T35-I37 PolarHBondContact OG1-N 2.85Å; T35-I37 PolarHBondContact OG1-O 2.98Å; T35-I37 VanDerWaalsContact OG1-O 3.11Å; I37-I56 HydrophobicContact CG2-CB 4.08Å; I37-I56 HydrophobicContact CG2-CG2 3.9Å; I37-N58 HydrophobicContact CG2-CB 4.23Å; I37-L65 HydrophobicContact CD1-CB 4.11Å; I37-L65 HydrophobicContact CG2-CB 4.29Å
38E89.8Confident79.4Confident29 Ų2948.9 Ų48.914%0.13626%0.255CS..  trans-144131.5179177.4-172.1126.500107.3Q32 E33 N58 R59 L60Q32-E38 VanDerWaalsContact O-CA 3.27Å; Q32-E38 WeakPolarHBondContact O-CA 3.48Å; Q32-E38 WeakPolarHBondContact O-CG 3.46Å; E33-E38 HydrophobicContact CB-CG 4.2Å; E33-E38 HydrophobicContact CG-CG 4.3Å; E38-N58 PolarHBondContact N-OD1 3.03Å; E38-N58 CarbonylContact O-C 3.11Å; E38-N58 WeakPolarHBondContact O-CA 3.33Å; E38-N58 PolarHBondContact O-OD1 3.05Å; E38-R59 VanDerWaalsContact CD-NH2 3.35Å; E38-R59 HydrophobicContact CG-CG 4.4Å; E38-R59 WeakPolarHBondContact O-CG 3.45Å; E38-R59 PolarHBondContact O-N 3.29Å; E38-R59 IonicContact OE1-CZ 2.79Å; E38-R59 IonicContact OE1-NE 2.73Å; E38-R59 PolarHBondContact OE1-NE 3.29Å; E38-R59 IonicContact OE1-NH2 2.67Å; E38-R59 PolarHBondContact OE1-NH2 2.95Å; E38-L60 HydrophobicContact CB-CD1 3.73Å; E38-L60 HydrophobicContact CB-CG 3.97Å
39G92.4Very high80.3Confident2 Ų251.6 Ų51.62%0.02128%0.276CS..EExtended strand (participates in β ladder)trans158.8-158.9-176.200000114G31 Q32 V57G31-G39 CarbonylContact C-O 3.59Å; G31-G39 VanDerWaalsContact CA-O 3.25Å; G31-G39 WeakPolarHBondContact CA-O 2.86Å; Q32-G39 PolarHBondContact N-O 3.2Å; Q32-G39 PolarHBondContact O-N 3.19Å; Q32-G39 VanDerWaalsContact O-N 3.13Å; G39-V57 VanDerWaalsContact CA-O 3.29Å; G39-V57 WeakPolarHBondContact CA-O 3.46Å
40T93.5Very high81.3Confident60 Ų6050.4 Ų50.437%0.36827%0.271SS..EExtended strand (participates in β ladder)trans-91.5119.7-173.9-55.20000110.3L29 T30 F42 I56 V57L29-T40 HydrophobicContact CD2-CG2 4.35Å; T30-T40 CarbonylContact O-C 3.59Å; T30-T40 WeakPolarHBondContact O-CA 3.38Å; T40-F42 HydrophobicContact CG2-CD2 4.07Å; T40-F42 HydrophobicContact CG2-CE1 4.47Å; T40-F42 HydrophobicContact CG2-CE2 3.5Å; T40-F42 VanDerWaalsContact CG2-CE2 3.5Å; T40-F42 HydrophobicContact CG2-CZ 3.71Å; T40-F42 VanDerWaalsContact O-CD2 3.22Å; T40-F42 WeakPolarHBondContact O-CD2 3.4Å; T40-F42 WeakPolarHBondContact O-CE2 3.32Å; T40-I56 WeakPolarHBondContact O-CA 3.47Å; T40-V57 PolarHBondContact N-O 3.44Å; T40-V57 PolarHBondContact O-N 3.16Å
41L96.1Very high82.6Confident0 Ų053.9 Ų53.90%028%0.284CS..EExtended strand (participates in β ladder)trans-75.4126.7167.7-176.7152.1000109.7L29 T30 V43 F54 T55 I56 I94 F96 I105L29-L41 VanDerWaalsContact CA-O 3.32Å; L29-L41 WeakPolarHBondContact CA-O 3.46Å; T30-L41 PolarHBondContact N-O 3.17Å; T30-L41 WeakPolarHBondContact O-CB 3.26Å; T30-L41 PolarHBondContact O-N 3.29Å; L41-V43 HydrophobicContact CD2-CG2 3.66Å; L41-F54 HydrophobicContact CD1-CD2 4.44Å; L41-T55 CarbonylContact C-O 3.48Å; L41-T55 VanDerWaalsContact CA-O 3.25Å; L41-T55 WeakPolarHBondContact CA-O 3.47Å; L41-I56 HydrophobicContact CB-CG1 4.24Å; L41-I56 HydrophobicContact CD1-CG1 4.42Å; L41-I56 HydrophobicContact CG-CG1 4.45Å; L41-I94 HydrophobicContact CD1-CD1 4.02Å; L41-F96 HydrophobicContact CD1-CZ 4.28Å; L41-I105 HydrophobicContact CD2-CD1 4.08Å; L41-I105 HydrophobicContact CD2-CG1 4.45Å; L41-I105 HydrophobicContact CD2-CG2 4.27Å
42F96.2Very high84.9Confident10 Ų1053.1 Ų53.14%0.04428%0.275CS..EExtended strand (participates in β ladder)trans-117.4125.9171.7-64.1-101.7000108.5S12 L16 I26 D28 L29 T40 F54 T55 V57S12-F42 WeakPolarHBondContact OG-CZ 3.18Å; L16-F42 HydrophobicContact CD1-CB 4.11Å; L16-F42 HydrophobicContact CD1-CD1 4.11Å; L16-F42 HydrophobicContact CD1-CG 4.06Å; I26-F42 HydrophobicContact CD1-CD1 3.68Å; I26-F42 HydrophobicContact CD1-CE1 3.85Å; I26-F42 HydrophobicContact CG1-CD1 3.96Å; I26-F42 HydrophobicContact CG2-CD1 3.86Å; D28-F42 WeakPolarHBondContact O-CA 3.47Å; L29-F42 HydrophobicContact CD2-CD1 3.02Å; L29-F42 HydrophobicContact CD2-CE1 2.99Å; L29-F42 HydrophobicContact CD2-CG 3.87Å; L29-F42 HydrophobicContact CD2-CZ 3.81Å; L29-F42 HydrophobicContact CG-CE1 4.43Å; T40-F42 HydrophobicContact CG2-CD2 4.07Å; T40-F42 HydrophobicContact CG2-CE1 4.47Å; T40-F42 HydrophobicContact CG2-CE2 3.5Å; T40-F42 VanDerWaalsContact CG2-CE2 3.5Å; T40-F42 HydrophobicContact CG2-CZ 3.71Å; T40-F42 VanDerWaalsContact O-CD2 3.22Å; T40-F42 WeakPolarHBondContact O-CD2 3.4Å; T40-F42 WeakPolarHBondContact O-CE2 3.32Å; F42-F54 CarbonylContact O-C 3.52Å; F42-F54 WeakPolarHBondContact O-CA 3.44Å; F42-F54 WeakPolarHBondContact O-CB 3.39Å; F42-T55 HydrophobicContact CB-CG2 3.85Å; F42-T55 HydrophobicContact CD2-CG2 4.35Å; F42-T55 HydrophobicContact CG-CG2 4.46Å; F42-T55 PolarHBondContact N-O 3.44Å; F42-T55 PolarHBondContact O-N 2.74Å; F42-V57 HydrophobicContact CD2-CB 4.49Å; F42-V57 HydrophobicContact CD2-CG2 3.73Å; F42-V57 HydrophobicContact CE2-CB 4.06Å; F42-V57 HydrophobicContact CE2-CG2 3.57Å
43V96.8Very high87.2Confident1 Ų152.9 Ų52.91%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-95.2134.5163.6-171.20000107.5I26 A27 D28 L41 F54 I105 L108 M109I26-V43 CarbonylContact C-O 3.42Å; A27-V43 HydrophobicContact CB-CB 4.28Å; A27-V43 HydrophobicContact CB-CG1 4.38Å; A27-V43 PolarHBondContact N-O 3.34Å; D28-V43 PolarHBondContact O-N 3.04Å; L41-V43 HydrophobicContact CD2-CG2 3.66Å; V43-F54 HydrophobicContact CG2-CB 4.29Å; V43-I105 HydrophobicContact CG2-CD1 4.01Å; V43-L108 HydrophobicContact CB-CD2 3.96Å; V43-L108 HydrophobicContact CG1-CD2 3.97Å; V43-L108 HydrophobicContact CG1-CG 4.48Å; V43-L108 HydrophobicContact CG2-CD2 4.07Å; V43-M109 HydrophobicContact CB-CE 4.49Å; V43-M109 HydrophobicContact CG1-CE 4.29Å; V43-M109 HydrophobicContact CG1-SD 4.37Å; V43-M109 HydrophobicContact CG2-CE 3.45Å; V43-M109 VanDerWaalsContact CG2-CE 3.45Å; V43-M109 HydrophobicContact CG2-SD 4.39Å
44Y96.7Very high89.9Confident9 Ų948.6 Ų48.64%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-140155.3-173.858.9-95.1000113.3I23 S25 R46 H52 G53 T55 V66I23-Y44 HydrophobicContact CB-CD2 4.41Å; I23-Y44 HydrophobicContact CD1-CD1 4.47Å; I23-Y44 HydrophobicContact CD1-CD2 3.69Å; I23-Y44 HydrophobicContact CD1-CE1 4.41Å; I23-Y44 HydrophobicContact CD1-CE2 3.58Å; I23-Y44 HydrophobicContact CD1-CG 4.13Å; I23-Y44 HydrophobicContact CG1-CD2 3.57Å; I23-Y44 HydrophobicContact CG1-CE2 3.66Å; I23-Y44 HydrophobicContact CG1-CG 4.35Å; I23-Y44 HydrophobicContact CG2-CD2 4.16Å; I23-Y44 HydrophobicContact CG2-CG 4.32Å; S25-Y44 VanDerWaalsContact O-CA 3.3Å; S25-Y44 WeakPolarHBondContact O-CA 3.35Å; S25-Y44 WeakPolarHBondContact O-CB 3.42Å; Y44-R46 HydrophobicContact CD2-CG 3.84Å; Y44-R46 HydrophobicContact CE2-CG 3.75Å; Y44-H52 WeakPolarHBondContact O-CA 3.29Å; Y44-G53 WeakPolarHBondContact CD1-O 3.43Å; Y44-G53 VanDerWaalsContact CE1-C 3.5Å; Y44-G53 PolarHBondContact N-O 3.36Å; Y44-G53 PolarHBondContact O-N 3.05Å; Y44-T55 HydrophobicContact CD1-CG2 4.11Å; Y44-T55 HydrophobicContact CE1-CG2 3.78Å; Y44-V66 WeakPolarHBondContact OH-CG1 3.31Å
45R96.8Very high92.3Very high135 Ų13539.6 Ų39.651%0.50922%0.215SC..EExtended strand (participates in β ladder)trans-97.4145174.6-69.5-178.1176.9172.81.6110.7I23 T24 S25 Y51I23-R45 CarbonylContact C-O 3.55Å; I23-R45 WeakPolarHBondContact CA-O 3.37Å; T24-R45 PolarHBondContact N-O 2.97Å; T24-R45 VanDerWaalsContact OG1-CB 3.29Å; T24-R45 WeakPolarHBondContact OG1-CB 3.17Å; T24-R45 PolarHBondContact OG1-O 3.19Å; S25-R45 PolarHBondContact O-N 3.1Å; R45-Y51 CarbonylContact C-O 3.5Å; R45-Y51 WeakPolarHBondContact CA-O 3.3Å
46R97.3Very high93.9Very high45 Ų4535.8 Ų35.817%0.1719%0.191CC..EExtended strand (participates in β ladder)trans-120.7149.5178.4-58.3175.673-128.25110D20 Y22 I23 Y44 A48 S49 P50 Y51D20-R46 IonicContact OD1-NH2 2.97Å; D20-R46 IonicContact OD2-CZ 3.77Å; D20-R46 IonicContact OD2-NE 4Å; D20-R46 PolarHBondContact OD2-NE 2.85Å; D20-R46 IonicContact OD2-NH2 3.06Å; D20-R46 PolarHBondContact OD2-NH2 2.97Å; Y22-R46 CarbonylContact O-C 3.49Å; Y22-R46 WeakPolarHBondContact O-CA 3.19Å; I23-R46 HydrophobicContact CG1-CG 4.42Å; Y44-R46 HydrophobicContact CD2-CG 3.84Å; Y44-R46 HydrophobicContact CE2-CG 3.75Å; R46-A48 VanDerWaalsContact C-N 3.27Å; R46-A48 PolarHBondContact NH1-O 3.17Å; R46-S49 PolarHBondContact NH1-O 3.4Å; R46-P50 VanDerWaalsContact CD-O 3.3Å; R46-P50 WeakPolarHBondContact CD-O 3.5Å; R46-P50 VanDerWaalsContact NH1-CD 3.29Å; R46-P50 PolarHBondContact NH1-O 3.14Å; R46-Y51 PolarHBondContact N-O 3.14Å; R46-Y51 WeakPolarHBondContact O-CD1 3.3Å
47S95.4Very high94.8Very high76 Ų7633 Ų3353%0.53118%0.178SC..SBendtrans-84.70.5177.365.10000113.8Y22Y22-S47 WeakPolarHBondContact CD1-OG 3.38Å; Y22-S47 PolarHBondContact O-N 2.64Å
48A92.8Very high95.2Very high29 Ų2932.1 Ų32.124%0.2417%0.173CC..SBendtrans-138.8155.2176.700000110Y22 R46 P50Y22-A48 HydrophobicContact CD1-CB 3.88Å; Y22-A48 HydrophobicContact CE1-CB 4.16Å; Y22-A48 HydrophobicContact CG-CB 4.25Å; R46-A48 VanDerWaalsContact C-N 3.27Å; R46-A48 PolarHBondContact NH1-O 3.17Å; A48-P50 CarbonylContact O-C 3.45Å
49S92.7Very high95.3Very high82 Ų8237.8 Ų37.857%0.57319%0.193SC*.SBendtrans-60.8143.4178.2-177.50000112.5R46R46-S49 PolarHBondContact NH1-O 3.4Å
50P94.6Very high95.2Very high33 Ų3342.2 Ų42.221%0.21422%0.216CC..SBendcis-60.6134-1722.9-31.9000110.4R46 A48 H52 P68 V69R46-P50 VanDerWaalsContact CD-O 3.3Å; R46-P50 WeakPolarHBondContact CD-O 3.5Å; R46-P50 VanDerWaalsContact NH1-CD 3.29Å; R46-P50 PolarHBondContact NH1-O 3.14Å; A48-P50 CarbonylContact O-C 3.45Å; P50-H52 PolarHBondContact O-N 3.35Å; P50-P68 HydrophobicContact CG-CB 3.64Å; P50-V69 VanDerWaalsContact CB-O 3.27Å; P50-V69 WeakPolarHBondContact CB-O 3.47Å
51Y96.1Very high95.1Very high79 Ų7942.1 Ų42.131%0.3121%0.213SC..  trans-76.7-1.8-172-62.8-89.9000113R45 R46 E116R45-Y51 CarbonylContact C-O 3.5Å; R45-Y51 WeakPolarHBondContact CA-O 3.3Å; R46-Y51 PolarHBondContact N-O 3.14Å; R46-Y51 WeakPolarHBondContact O-CD1 3.3Å; Y51-E116 VanDerWaalsContact CA-OE1 3.3Å; Y51-E116 WeakPolarHBondContact CA-OE1 3.33Å; Y51-E116 WeakPolarHBondContact CB-OE1 3.46Å; Y51-E116 PolarHBondContact N-OE1 3.33Å
52H97.4Very high94.9Very high7 Ų750.5 Ų50.53%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-137.1153.5176.8-61.787000111Y44 P50 V69 V112 E115 E116Y44-H52 WeakPolarHBondContact O-CA 3.29Å; P50-H52 PolarHBondContact O-N 3.35Å; H52-V69 HydrophobicContact CB-CB 3.97Å; H52-V69 HydrophobicContact CB-CG2 4.44Å; H52-V69 PolarHBondContact O-N 3.12Å; H52-V112 HydrophobicContact CB-CG1 3.24Å; H52-E115 IonicContact CE1-OE2 3.89Å; H52-E115 PolarHBondContact CE1-OE2 3.12Å; H52-E115 IonicContact NE2-OE2 2.74Å; H52-E116 IonicContact CG-OE1 2.97Å; H52-E116 PolarHBondContact N-OE1 3.49Å; H52-E116 IonicContact ND1-OE1 2.82Å; H52-E116 PolarHBondContact ND1-OE1 3.06Å
53G96.8Very high94.6Very high0 Ų056.4 Ų56.40%028%0.282CS..EExtended strand (participates in β ladder)trans-155.6165.5176.200000109.6Y44 E67Y44-G53 WeakPolarHBondContact CD1-O 3.43Å; Y44-G53 VanDerWaalsContact CE1-C 3.5Å; Y44-G53 PolarHBondContact N-O 3.36Å; Y44-G53 PolarHBondContact O-N 3.05Å; G53-E67 WeakPolarHBondContact CA-O 3.37Å
54F97.1Very high94.5Very high0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-134.2156.5165.773.5-93000111.4L41 F42 V43 L65 E67 V69 L73 F75 Y84 I94 M109L41-F54 HydrophobicContact CD1-CD2 4.44Å; F42-F54 CarbonylContact O-C 3.52Å; F42-F54 WeakPolarHBondContact O-CA 3.44Å; F42-F54 WeakPolarHBondContact O-CB 3.39Å; V43-F54 HydrophobicContact CG2-CB 4.29Å; F54-L65 HydrophobicContact CE2-CD2 3.94Å; F54-E67 HydrophobicContact CD1-CB 3.97Å; F54-E67 HydrophobicContact CD2-CB 4.34Å; F54-E67 HydrophobicContact CE1-CB 3.43Å; F54-E67 VanDerWaalsContact CE1-CB 3.43Å; F54-E67 HydrophobicContact CE1-CG 3.71Å; F54-E67 HydrophobicContact CE2-CB 3.83Å; F54-E67 HydrophobicContact CG-CB 4.4Å; F54-E67 HydrophobicContact CZ-CB 3.35Å; F54-E67 HydrophobicContact CZ-CG 3.74Å; F54-E67 PolarHBondContact N-O 2.77Å; F54-E67 PolarHBondContact O-N 3.22Å; F54-V69 HydrophobicContact CD1-CG2 3.98Å; F54-L73 HydrophobicContact CE1-CD2 4.09Å; F54-F75 HydrophobicContact CE1-CZ 4.28Å; F54-Y84 HydrophobicContact CE2-CE1 4.44Å; F54-Y84 HydrophobicContact CZ-CD1 4.35Å; F54-Y84 AromaticContact CZ-CE1 3.9Å; F54-Y84 HydrophobicContact CZ-CE1 3.9Å; F54-Y84 HydrophobicContact CZ-CE2 4.19Å; F54-Y84 AromaticContact CZ-CZ 3.82Å; F54-I94 HydrophobicContact CE2-CD1 4.2Å; F54-I94 HydrophobicContact CZ-CD1 4.45Å; F54-M109 HydrophobicContact CB-CE 3.74Å; F54-M109 HydrophobicContact CD1-CE 3.61Å; F54-M109 HydrophobicContact CD1-SD 4.35Å; F54-M109 HydrophobicContact CE1-CE 4.34Å; F54-M109 HydrophobicContact CG-CE 3.73Å
55T96.3Very high94.4Very high3 Ų360.5 Ų60.52%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-142.4142.9178.9179.20000110.3L16 L41 F42 Y44 V57 L65L16-T55 HydrophobicContact CD1-CG2 4.22Å; L16-T55 HydrophobicContact CD2-CG2 3.6Å; L41-T55 CarbonylContact C-O 3.48Å; L41-T55 VanDerWaalsContact CA-O 3.25Å; L41-T55 WeakPolarHBondContact CA-O 3.47Å; F42-T55 HydrophobicContact CB-CG2 3.85Å; F42-T55 HydrophobicContact CD2-CG2 4.35Å; F42-T55 HydrophobicContact CG-CG2 4.46Å; F42-T55 PolarHBondContact N-O 3.44Å; F42-T55 PolarHBondContact O-N 2.74Å; Y44-T55 HydrophobicContact CD1-CG2 4.11Å; Y44-T55 HydrophobicContact CE1-CG2 3.78Å; T55-V57 HydrophobicContact CG2-CG2 4.47Å; T55-L65 CarbonylContact C-O 3.57Å; T55-L65 WeakPolarHBondContact CA-O 3.38Å; T55-L65 VanDerWaalsContact CB-O 3.23Å; T55-L65 WeakPolarHBondContact CB-O 3.47Å; T55-L65 PolarHBondContact OG1-O 3.46Å
56I95.8Very high94.3Very high8 Ų858.2 Ų58.24%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-105.3108.7167.2-53.2169000106.3I37 T40 L41 N58 N64 L65 I94I37-I56 HydrophobicContact CG2-CB 4.08Å; I37-I56 HydrophobicContact CG2-CG2 3.9Å; T40-I56 WeakPolarHBondContact O-CA 3.47Å; L41-I56 HydrophobicContact CB-CG1 4.24Å; L41-I56 HydrophobicContact CD1-CG1 4.42Å; L41-I56 HydrophobicContact CG-CG1 4.45Å; I56-N58 PolarHBondContact O-N 3.44Å; I56-N64 WeakPolarHBondContact O-CA 3.27Å; I56-N64 WeakPolarHBondContact O-CB 3.24Å; I56-L65 HydrophobicContact CB-CB 4.02Å; I56-L65 HydrophobicContact CD1-CB 4.26Å; I56-L65 HydrophobicContact CD1-CD2 3.48Å; I56-L65 VanDerWaalsContact CD1-CD2 3.48Å; I56-L65 HydrophobicContact CG1-CB 4.25Å; I56-L65 HydrophobicContact CG1-CD2 4.01Å; I56-L65 PolarHBondContact N-O 2.81Å; I56-L65 PolarHBondContact O-N 2.99Å; I56-L65 VanDerWaalsContact O-N 3.08Å; I56-I94 HydrophobicContact CD1-CG2 3.7Å
57V94.5Very high94.2Very high53 Ų5357 Ų5732%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-75.7108.9174.6179.90000107.6L16 G39 T40 F42 T55 N64L16-V57 HydrophobicContact CD2-CG2 4.27Å; G39-V57 VanDerWaalsContact CA-O 3.29Å; G39-V57 WeakPolarHBondContact CA-O 3.46Å; T40-V57 PolarHBondContact N-O 3.44Å; T40-V57 PolarHBondContact O-N 3.16Å; F42-V57 HydrophobicContact CD2-CB 4.49Å; F42-V57 HydrophobicContact CD2-CG2 3.73Å; F42-V57 HydrophobicContact CE2-CB 4.06Å; F42-V57 HydrophobicContact CE2-CG2 3.57Å; T55-V57 HydrophobicContact CG2-CG2 4.47Å; V57-N64 WeakPolarHBondContact CA-OD1 3.44Å
58N93.7Very high94.3Very high13 Ų1356.1 Ų56.17%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-72.5135.7-172.9-167.4-3.4000110.8D36 I37 E38 I56 L60 N61 H63 N64D36-N58 PolarHBondContact O-ND2 2.88Å; I37-N58 HydrophobicContact CG2-CB 4.23Å; E38-N58 PolarHBondContact N-OD1 3.03Å; E38-N58 CarbonylContact O-C 3.11Å; E38-N58 WeakPolarHBondContact O-CA 3.33Å; E38-N58 PolarHBondContact O-OD1 3.05Å; I56-N58 PolarHBondContact O-N 3.44Å; N58-L60 WeakPolarHBondContact OD1-CB 3.3Å; N58-L60 PolarHBondContact OD1-N 3.21Å; N58-N61 WeakPolarHBondContact CB-O 3.46Å; N58-N61 VanDerWaalsContact ND2-CG 3.29Å; N58-N61 PolarHBondContact ND2-ND2 3.02Å; N58-N61 PolarHBondContact ND2-OD1 3.16Å; N58-H63 VanDerWaalsContact CB-O 3.23Å; N58-H63 WeakPolarHBondContact CB-O 3.34Å; N58-H63 PolarHBondContact ND2-O 3.24Å; N58-N64 PolarHBondContact N-OD1 2.72Å
59R93.1Very high94.4Very high148 Ų14854.8 Ų54.856%0.55828%0.283SS*.SBendtrans-97.6-14.2176.379.1-169.1-179.3-168.6-6.3113E38 Y97E38-R59 VanDerWaalsContact CD-NH2 3.35Å; E38-R59 HydrophobicContact CG-CG 4.4Å; E38-R59 WeakPolarHBondContact O-CG 3.45Å; E38-R59 PolarHBondContact O-N 3.29Å; E38-R59 IonicContact OE1-CZ 2.79Å; E38-R59 IonicContact OE1-NE 2.73Å; E38-R59 PolarHBondContact OE1-NE 3.29Å; E38-R59 IonicContact OE1-NH2 2.67Å; E38-R59 PolarHBondContact OE1-NH2 2.95Å; R59-Y97 PolarHBondContact NH2-OH 3.37Å
60L90.8Very high94.5Very high96 Ų9652.7 Ų52.750%0.50327%0.265SS..SBendtrans-86.2-35-180-59.2177.7000112.4E38 N58E38-L60 HydrophobicContact CB-CD1 3.73Å; E38-L60 HydrophobicContact CB-CG 3.97Å; N58-L60 WeakPolarHBondContact OD1-CB 3.3Å; N58-L60 PolarHBondContact OD1-N 3.21Å
61N90.7Very high94.4Very high57 Ų5756.5 Ų56.531%0.30528%0.279SS..SBendtrans-156.8-176.5179.864.158.5000110.4D36 N58 H63D36-N61 PolarHBondContact O-ND2 2.97Å; N58-N61 WeakPolarHBondContact CB-O 3.46Å; N58-N61 VanDerWaalsContact ND2-CG 3.29Å; N58-N61 PolarHBondContact ND2-ND2 3.02Å; N58-N61 PolarHBondContact ND2-OD1 3.16Å; N61-H63 VanDerWaalsContact C-N 3.32Å; N61-H63 PolarHBondContact O-N 3.09Å; N61-H63 WeakPolarHBondContact OD1-CA 3.3Å; N61-H63 WeakPolarHBondContact OD1-CB 3.36Å; N61-H63 PolarHBondContact OD1-CD2 3.43Å; N61-H63 PolarHBondContact OD1-N 3.44Å
62M90.9Very high94.2Very high177 Ų17756.6 Ų56.687%0.87228%0.284SS*.SBendtrans-85.83.2-177.1-63-177.967.100114.5N64M62-N64 PolarHBondContact O-N 2.96Å
63H91.5Very high94.1Very high134 Ų13456.5 Ų56.562%0.6228%0.284SS*.  trans-88.696.6177.9-57-69.1000109.7N58 N61N58-H63 VanDerWaalsContact CB-O 3.23Å; N58-H63 WeakPolarHBondContact CB-O 3.34Å; N58-H63 PolarHBondContact ND2-O 3.24Å; N61-H63 VanDerWaalsContact C-N 3.32Å; N61-H63 PolarHBondContact O-N 3.09Å; N61-H63 WeakPolarHBondContact OD1-CA 3.3Å; N61-H63 WeakPolarHBondContact OD1-CB 3.36Å; N61-H63 PolarHBondContact OD1-CD2 3.43Å; N61-H63 PolarHBondContact OD1-N 3.44Å
64N93.7Very high94Very high64 Ų6461.9 Ų61.934%0.34231%0.309SS..  trans-82.4148.9175.4-59.7-36.1000110.8I56 V57 N58 M62I56-N64 WeakPolarHBondContact O-CA 3.27Å; I56-N64 WeakPolarHBondContact O-CB 3.24Å; V57-N64 WeakPolarHBondContact CA-OD1 3.44Å; N58-N64 PolarHBondContact N-OD1 2.72Å; M62-N64 PolarHBondContact O-N 2.96Å
65L93.9Very high94Very high31 Ų3164.4 Ų64.416%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-81.1133.9163.9-177.269.4000108.4I37 F54 T55 I56I37-L65 HydrophobicContact CD1-CB 4.11Å; I37-L65 HydrophobicContact CG2-CB 4.29Å; F54-L65 HydrophobicContact CE2-CD2 3.94Å; T55-L65 CarbonylContact C-O 3.57Å; T55-L65 WeakPolarHBondContact CA-O 3.38Å; T55-L65 VanDerWaalsContact CB-O 3.23Å; T55-L65 WeakPolarHBondContact CB-O 3.47Å; T55-L65 PolarHBondContact OG1-O 3.46Å; I56-L65 HydrophobicContact CB-CB 4.02Å; I56-L65 HydrophobicContact CD1-CB 4.26Å; I56-L65 HydrophobicContact CD1-CD2 3.48Å; I56-L65 VanDerWaalsContact CD1-CD2 3.48Å; I56-L65 HydrophobicContact CG1-CB 4.25Å; I56-L65 HydrophobicContact CG1-CD2 4.01Å; I56-L65 PolarHBondContact N-O 2.81Å; I56-L65 PolarHBondContact O-N 2.99Å; I56-L65 VanDerWaalsContact O-N 3.08Å
66V95.1Very high94Very high88 Ų8870.4 Ų70.453%0.53335%0.348SS..EExtended strand (participates in β ladder)trans-135.1118.4171.9-178.50000107.5Y44Y44-V66 WeakPolarHBondContact OH-CG1 3.31Å
67E96.1Very high94Very high20 Ų2073.3 Ų73.39%0.09336%0.363CS..EExtended strand (participates in β ladder)trans-125.9120.8-177.8-162.379.9-140.400109.6G53 F54 L73 Y84 N86G53-E67 WeakPolarHBondContact CA-O 3.37Å; F54-E67 HydrophobicContact CD1-CB 3.97Å; F54-E67 HydrophobicContact CD2-CB 4.34Å; F54-E67 HydrophobicContact CE1-CB 3.43Å; F54-E67 VanDerWaalsContact CE1-CB 3.43Å; F54-E67 HydrophobicContact CE1-CG 3.71Å; F54-E67 HydrophobicContact CE2-CB 3.83Å; F54-E67 HydrophobicContact CG-CB 4.4Å; F54-E67 HydrophobicContact CZ-CB 3.35Å; F54-E67 HydrophobicContact CZ-CG 3.74Å; F54-E67 PolarHBondContact N-O 2.77Å; F54-E67 PolarHBondContact O-N 3.22Å; E67-L73 HydrophobicContact CG-CD1 4.17Å; E67-Y84 HydrophobicContact CG-CE2 3.98Å; E67-Y84 PolarHBondContact OE2-OH 2.86Å; E67-N86 WeakPolarHBondContact OE1-CB 3.36Å; E67-N86 PolarHBondContact OE1-ND2 3.38Å
68P96.1Very high94Very high57 Ų5776.8 Ų76.837%0.3738%0.376SS..EExtended strand (participates in β ladder)trans-68.3136.9171.726.8-30.5000110.3P50P50-P68 HydrophobicContact CG-CB 3.64Å
69V96.5Very high93.9Very high0 Ų080.1 Ų80.10%039%0.391CS..EExtended strand (participates in β ladder)trans-89.4113172.7-177.10000108.6P50 H52 F54 L73 M109 V112 V113P50-V69 VanDerWaalsContact CB-O 3.27Å; P50-V69 WeakPolarHBondContact CB-O 3.47Å; H52-V69 HydrophobicContact CB-CB 3.97Å; H52-V69 HydrophobicContact CB-CG2 4.44Å; H52-V69 PolarHBondContact O-N 3.12Å; F54-V69 HydrophobicContact CD1-CG2 3.98Å; V69-L73 HydrophobicContact CB-CD2 4.29Å; V69-L73 HydrophobicContact CG1-CD2 4.15Å; V69-L73 HydrophobicContact CG2-CD2 4.06Å; V69-M109 HydrophobicContact CG2-SD 4.31Å; V69-V112 HydrophobicContact CB-CG1 4.15Å; V69-V112 HydrophobicContact CG1-CG1 3.6Å; V69-V113 HydrophobicContact CG1-CG2 3.66Å
70N93.3Very high93.9Very high38 Ų3875.3 Ų75.320%0.20338%0.379CS..  trans-128.3175.4177.561.325.1000110D72 L73N70-D72 PolarHBondContact O-N 2.97Å; N70-D72 PolarHBondContact OD1-N 3Å; N70-D72 VanDerWaalsContact OD1-N 3.15Å; N70-L73 WeakPolarHBondContact O-CB 3.49Å; N70-L73 PolarHBondContact O-N 3.48Å; N70-L73 PolarHBondContact OD1-N 2.9Å; N70-L73 VanDerWaalsContact OD1-N 3.09Å
71K93.1Very high94.1Very high114 Ų11474.5 Ų74.550%0.49637%0.371SS..THydrogen-bonded Turntrans-65-17.2178.866177.6-176.3174.70114.3L73 T117K71-L73 VanDerWaalsContact C-N 3.31Å; K71-T117 WeakPolarHBondContact CB-OG1 3.48Å
72D92.6Very high94.4Very high81 Ų8171.8 Ų71.843%0.43336%0.357SS..THydrogen-bonded Turntrans-91.2-2.5-177.9-48.9-62.2000111.3N70 A87N70-D72 PolarHBondContact O-N 2.97Å; N70-D72 PolarHBondContact OD1-N 3Å; N70-D72 VanDerWaalsContact OD1-N 3.15Å; D72-A87 HydrophobicContact CB-CB 4.17Å
73L94.9Very high94.7Very high4 Ų465.6 Ų65.62%0.02133%0.327CS..  trans-84.8116.8177.4-157.269.7000109.3F54 E67 V69 N70 K71 F75 Y84 N86 V113F54-L73 HydrophobicContact CE1-CD2 4.09Å; E67-L73 HydrophobicContact CG-CD1 4.17Å; V69-L73 HydrophobicContact CB-CD2 4.29Å; V69-L73 HydrophobicContact CG1-CD2 4.15Å; V69-L73 HydrophobicContact CG2-CD2 4.06Å; N70-L73 WeakPolarHBondContact O-CB 3.49Å; N70-L73 PolarHBondContact O-N 3.48Å; N70-L73 PolarHBondContact OD1-N 2.9Å; N70-L73 VanDerWaalsContact OD1-N 3.09Å; K71-L73 VanDerWaalsContact C-N 3.31Å; L73-F75 HydrophobicContact CB-CE2 4.35Å; L73-F75 HydrophobicContact CD2-CE1 4.5Å; L73-F75 HydrophobicContact CD2-CE2 3.49Å; L73-F75 VanDerWaalsContact CD2-CE2 3.49Å; L73-F75 HydrophobicContact CD2-CZ 3.39Å; L73-F75 HydrophobicContact CG-CE2 3.73Å; L73-F75 HydrophobicContact CG-CZ 3.88Å; L73-Y84 HydrophobicContact CD1-CD2 3.87Å; L73-Y84 HydrophobicContact CD1-CE2 4.35Å; L73-N86 HydrophobicContact CD1-CB 3.87Å; L73-V113 HydrophobicContact CB-CG2 4.43Å
74E94.8Very high94.9Very high114 Ų11459.5 Ų59.553%0.53330%0.299SS..EExtended strand (participates in β ladder)trans-108.4137.5-179.3-63.3171.6-178.900109.4Y84 R85E74-Y84 CarbonylContact O-C 3.48Å; E74-Y84 WeakPolarHBondContact O-CA 3.43Å; E74-Y84 WeakPolarHBondContact O-CB 3.44Å; E74-R85 HydrophobicContact CB-CB 4.4Å; E74-R85 PolarHBondContact N-O 3.34Å; E74-R85 PolarHBondContact O-N 3.41Å; E74-R85 IonicContact OE2-NH1 3.18Å
75F96Very high95Very high53 Ų5360.7 Ų60.723%0.23230%0.298CS..EExtended strand (participates in β ladder)trans-121.3142.6179.1-69.2-84.7000111.6F54 L73 L82 L83 Y84 M109 V113F54-F75 HydrophobicContact CE1-CZ 4.28Å; L73-F75 HydrophobicContact CB-CE2 4.35Å; L73-F75 HydrophobicContact CD2-CE1 4.5Å; L73-F75 HydrophobicContact CD2-CE2 3.49Å; L73-F75 VanDerWaalsContact CD2-CE2 3.49Å; L73-F75 HydrophobicContact CD2-CZ 3.39Å; L73-F75 HydrophobicContact CG-CE2 3.73Å; L73-F75 HydrophobicContact CG-CZ 3.88Å; F75-L82 HydrophobicContact CB-CD1 4.22Å; F75-L82 HydrophobicContact CD1-CD1 4Å; F75-L82 HydrophobicContact CD1-CD2 4Å; F75-L82 HydrophobicContact CD1-CG 3.93Å; F75-L82 HydrophobicContact CE1-CD2 4.23Å; F75-L83 CarbonylContact C-O 3.48Å; F75-L83 WeakPolarHBondContact CA-O 3.32Å; F75-Y84 VanDerWaalsContact CD1-CB 3.49Å; F75-Y84 HydrophobicContact CE1-CG 4.2Å; F75-M109 HydrophobicContact CD1-CB 4.37Å; F75-M109 HydrophobicContact CD2-CB 3.91Å; F75-M109 HydrophobicContact CE1-CB 4.19Å; F75-M109 HydrophobicContact CE1-CG 3.97Å; F75-M109 HydrophobicContact CE1-SD 4.47Å; F75-M109 HydrophobicContact CE2-CB 3.71Å; F75-M109 HydrophobicContact CE2-CG 4.16Å; F75-M109 HydrophobicContact CE2-SD 4.37Å; F75-M109 HydrophobicContact CG-CB 4.22Å; F75-M109 HydrophobicContact CZ-CB 3.84Å; F75-M109 HydrophobicContact CZ-CG 3.76Å; F75-M109 HydrophobicContact CZ-SD 3.84Å; F75-V113 HydrophobicContact CD2-CG2 4.08Å; F75-V113 HydrophobicContact CE2-CG2 3.75Å
76Q96.4Very high95Very high128 Ų12859.8 Ų59.860%0.59829%0.294SS*.EExtended strand (participates in β ladder)trans-131.7118.5170.3-174.6175.432.200109.6L83Q76-L83 HydrophobicContact CB-CB 4.28Å; Q76-L83 PolarHBondContact N-O 3.46Å; Q76-L83 PolarHBondContact O-N 3.5Å
77L96.6Very high94.8Very high69 Ų6958.3 Ų58.336%0.36129%0.29SS..EExtended strand (participates in β ladder)trans-80.5120.9174.7178.861.1000109.6E79 C102 A106L77-E79 HydrophobicContact CD1-CG 4.07Å; L77-E79 HydrophobicContact CG-CG 4.35Å; L77-C102 WeakPolarHBondContact CD1-SG 3.29Å; L77-A106 HydrophobicContact CB-CB 4.21Å; L77-A106 HydrophobicContact CD1-CB 3.95Å; L77-A106 HydrophobicContact CD2-CB 4.07Å; L77-A106 HydrophobicContact CG-CB 4.31Å
78H94.5Very high94.6Very high126 Ų12661.9 Ų61.958%0.58332%0.318SS*.EExtended strand (participates in β ladder)trans-136.679.8170.2-168.1-60.6000108.7F81 L83H78-F81 CarbonylContact C-O 3.46Å; H78-F81 WeakPolarHBondContact CA-O 3.05Å; H78-F81 PolarHBondContact N-O 3.48Å; H78-F81 CarbonylContact O-C 3.57Å; H78-F81 WeakPolarHBondContact O-CA 3.22Å; H78-F81 VanDerWaalsContact O-CB 3.27Å; H78-F81 WeakPolarHBondContact O-CB 3.23Å; H78-F81 PolarHBondContact O-N 2.91Å; H78-L83 HydrophobicContact CB-CD1 4.04Å
79E92.3Very high94.2Very high84 Ų8464.2 Ų64.239%0.39333%0.327SS..THydrogen-bonded Turntrans-46.8139.6-173.2-68.3-177.49600113.4L77 F81 H103L77-E79 HydrophobicContact CD1-CG 4.07Å; L77-E79 HydrophobicContact CG-CG 4.35Å; E79-F81 VanDerWaalsContact C-N 3.27Å; E79-H103 VanDerWaalsContact CD-ND1 3.3Å; E79-H103 IonicContact OE1-CE1 3.71Å; E79-H103 PolarHBondContact OE1-CE1 2.93Å; E79-H103 IonicContact OE1-ND1 3.97Å; E79-H103 PolarHBondContact OE1-ND1 2.88Å; E79-H103 IonicContact OE1-NE2 3.38Å; E79-H103 IonicContact OE2-CE1 2.84Å; E79-H103 PolarHBondContact OE2-CE1 2.93Å; E79-H103 IonicContact OE2-ND1 3.12Å; E79-H103 IonicContact OE2-NE2 3.64Å
80P93.3Very high93.9Very high46 Ų4666.5 Ų66.530%0.29934%0.342SS..THydrogen-bonded Turncis-83.324.1-2.134.5-37.5000114.6W95 F96P80-W95 VanDerWaalsContact CG-NE1 3.32Å; P80-F96 PolarHBondContact O-N 3.2Å
81F95Very high93.9Very high79 Ų7970.7 Ų70.735%0.34636%0.364SS..EExtended strand (participates in β ladder)trans-109.7140.4-177.5-53.2-89.4000111.9H78 E79 L83 S93 I94 W95H78-F81 CarbonylContact C-O 3.46Å; H78-F81 WeakPolarHBondContact CA-O 3.05Å; H78-F81 PolarHBondContact N-O 3.48Å; H78-F81 CarbonylContact O-C 3.57Å; H78-F81 WeakPolarHBondContact O-CA 3.22Å; H78-F81 VanDerWaalsContact O-CB 3.27Å; H78-F81 WeakPolarHBondContact O-CB 3.23Å; H78-F81 PolarHBondContact O-N 2.91Å; E79-F81 VanDerWaalsContact C-N 3.27Å; F81-L83 HydrophobicContact CB-CD1 3.86Å; F81-S93 WeakPolarHBondContact CD1-OG 3.4Å; F81-I94 CarbonylContact C-O 3.49Å; F81-I94 WeakPolarHBondContact CA-O 3.46Å; F81-W95 HydrophobicContact CD1-CB 3.66Å; F81-W95 AromaticContact CD1-CD1 3.63Å; F81-W95 HydrophobicContact CD1-CG 4.04Å; F81-W95 HydrophobicContact CE1-CB 3.64Å; F81-W95 AromaticContact CE1-CD1 3.24Å; F81-W95 AromaticContact CE1-CG 3.69Å; F81-W95 HydrophobicContact CE1-CG 3.69Å; F81-W95 AromaticContact CZ-CD1 3.51Å; F81-W95 HydrophobicContact CZ-CG 4.34Å
82L96.7Very high94Very high0 Ų069.8 Ų69.80%036%0.358CS..EExtended strand (participates in β ladder)trans-106.7113.1163-177.357.9000107.5F75 I94 F96 I105 A106 M109F75-L82 HydrophobicContact CB-CD1 4.22Å; F75-L82 HydrophobicContact CD1-CD1 4Å; F75-L82 HydrophobicContact CD1-CD2 4Å; F75-L82 HydrophobicContact CD1-CG 3.93Å; F75-L82 HydrophobicContact CE1-CD2 4.23Å; L82-I94 PolarHBondContact N-O 2.9Å; L82-I94 WeakPolarHBondContact O-CG1 3.29Å; L82-I94 PolarHBondContact O-N 3.33Å; L82-F96 HydrophobicContact CB-CE2 3.68Å; L82-F96 HydrophobicContact CB-CZ 4.45Å; L82-F96 HydrophobicContact CD2-CE2 4.39Å; L82-F96 HydrophobicContact CD2-CZ 4.37Å; L82-I105 HydrophobicContact CD2-CG2 4Å; L82-A106 HydrophobicContact CD1-CB 3.81Å; L82-M109 HydrophobicContact CD2-CG 4.5Å
83L96.3Very high94.1Very high48 Ų4869 Ų6925%0.25136%0.358SS..EExtended strand (participates in β ladder)trans-87.9143.3173.9-73.371.8000108.3F75 Q76 H78 F81 Y92F75-L83 CarbonylContact C-O 3.48Å; F75-L83 WeakPolarHBondContact CA-O 3.32Å; Q76-L83 HydrophobicContact CB-CB 4.28Å; Q76-L83 PolarHBondContact N-O 3.46Å; Q76-L83 PolarHBondContact O-N 3.5Å; H78-L83 HydrophobicContact CB-CD1 4.04Å; F81-L83 HydrophobicContact CB-CD1 3.86Å; L83-Y92 WeakPolarHBondContact CA-O 3.45Å
84Y96.6Very high94.1Very high5 Ų569.2 Ų69.22%0.0236%0.36CS..EExtended strand (participates in β ladder)trans-140.2151.417179.2-90.9000112F54 E67 L73 E74 F75 N86 I91 Y92 I94F54-Y84 HydrophobicContact CE2-CE1 4.44Å; F54-Y84 HydrophobicContact CZ-CD1 4.35Å; F54-Y84 AromaticContact CZ-CE1 3.9Å; F54-Y84 HydrophobicContact CZ-CE1 3.9Å; F54-Y84 HydrophobicContact CZ-CE2 4.19Å; F54-Y84 AromaticContact CZ-CZ 3.82Å; E67-Y84 HydrophobicContact CG-CE2 3.98Å; E67-Y84 PolarHBondContact OE2-OH 2.86Å; L73-Y84 HydrophobicContact CD1-CD2 3.87Å; L73-Y84 HydrophobicContact CD1-CE2 4.35Å; E74-Y84 CarbonylContact O-C 3.48Å; E74-Y84 WeakPolarHBondContact O-CA 3.43Å; E74-Y84 WeakPolarHBondContact O-CB 3.44Å; F75-Y84 VanDerWaalsContact CD1-CB 3.49Å; F75-Y84 HydrophobicContact CE1-CG 4.2Å; Y84-N86 HydrophobicContact CE2-CB 4.29Å; Y84-I91 WeakPolarHBondContact O-CA 3.33Å; Y84-Y92 HydrophobicContact CD2-CD2 4.12Å; Y84-Y92 HydrophobicContact CE1-CD2 4.16Å; Y84-Y92 AromaticContact CE1-CG 3.89Å; Y84-Y92 HydrophobicContact CE1-CG 3.89Å; Y84-Y92 AromaticContact CE2-CD2 3.43Å; Y84-Y92 HydrophobicContact CE2-CD2 3.43Å; Y84-Y92 VanDerWaalsContact CE2-CD2 3.43Å; Y84-Y92 HydrophobicContact CE2-CE2 4.12Å; Y84-Y92 HydrophobicContact CE2-CG 4.02Å; Y84-Y92 VanDerWaalsContact CZ-CB 3.48Å; Y84-Y92 AromaticContact CZ-CD2 3.44Å; Y84-Y92 VanDerWaalsContact CZ-CD2 3.44Å; Y84-Y92 AromaticContact CZ-CG 3.54Å; Y84-Y92 PolarHBondContact N-O 3.04Å; Y84-Y92 PolarHBondContact O-N 2.91Å; Y84-I94 HydrophobicContact CD1-CD1 3.85Å; Y84-I94 HydrophobicContact CD1-CG1 3.83Å; Y84-I94 HydrophobicContact CE1-CD1 3.88Å; Y84-I94 HydrophobicContact CE1-CG1 3.93Å
85R95.6Very high94.1Very high90 Ų9067.1 Ų67.134%0.3435%0.347SS..EExtended strand (participates in β ladder)trans-120.5128.9172-174.4-172-171.7-165.64108.7E74 S90 I91E74-R85 HydrophobicContact CB-CB 4.4Å; E74-R85 PolarHBondContact N-O 3.34Å; E74-R85 PolarHBondContact O-N 3.41Å; E74-R85 IonicContact OE2-NH1 3.18Å; R85-S90 WeakPolarHBondContact CA-O 3.29Å; R85-I91 HydrophobicContact CB-CG1 4.42Å; R85-I91 HydrophobicContact CG-CG1 4.19Å
86N93.6Very high94.1Very high12 Ų1264.7 Ų64.76%0.06434%0.336CS..  trans-94.8178.2179.773.72.4000113.7E67 L73 Y84 S88 L89 S90E67-N86 WeakPolarHBondContact OE1-CB 3.36Å; E67-N86 PolarHBondContact OE1-ND2 3.38Å; L73-N86 HydrophobicContact CD1-CB 3.87Å; Y84-N86 HydrophobicContact CE2-CB 4.29Å; N86-S88 PolarHBondContact O-N 3.36Å; N86-S88 WeakPolarHBondContact OD1-CA 3.34Å; N86-S88 WeakPolarHBondContact OD1-CB 3.11Å; N86-S88 PolarHBondContact OD1-N 2.99Å; N86-S88 VanDerWaalsContact OD1-N 3.13Å; N86-L89 VanDerWaalsContact O-CA 3.3Å; N86-L89 WeakPolarHBondContact O-CA 3.43Å; N86-L89 PolarHBondContact O-N 2.98Å; N86-L89 PolarHBondContact OD1-N 3.32Å; N86-S90 PolarHBondContact N-O 3.48Å; N86-S90 VanDerWaalsContact N-O 3.13Å; N86-S90 WeakPolarHBondContact OD1-CB 3.49Å; N86-S90 PolarHBondContact OD1-N 3.11Å
87A90.7Very high93.9Very high56 Ų5663.6 Ų63.646%0.46333%0.327SS..THydrogen-bonded Turntrans-61-24.8179.200000113.3D72 L89D72-A87 HydrophobicContact CB-CB 4.17Å; A87-L89 PolarHBondContact O-N 2.99Å
88S91.2Very high93.7Very high95 Ų9563.3 Ų63.366%0.66433%0.326SS*.THydrogen-bonded Turntrans-80.69.2171.5-55.80000113N86 S90N86-S88 PolarHBondContact O-N 3.36Å; N86-S88 WeakPolarHBondContact OD1-CA 3.34Å; N86-S88 WeakPolarHBondContact OD1-CB 3.11Å; N86-S88 PolarHBondContact OD1-N 2.99Å; N86-S88 VanDerWaalsContact OD1-N 3.13Å; S88-S90 PolarHBondContact O-N 3.28Å; S88-S90 VanDerWaalsContact O-N 3.09Å
89L89.5Confident93.6Very high107 Ų10763.3 Ų63.356%0.5633%0.325SS*.  trans60.913.6-178.8-47.5-178.1000114N86 A87N86-L89 VanDerWaalsContact O-CA 3.3Å; N86-L89 WeakPolarHBondContact O-CA 3.43Å; N86-L89 PolarHBondContact O-N 2.98Å; N86-L89 PolarHBondContact OD1-N 3.32Å; A87-L89 PolarHBondContact O-N 2.99Å
90S90.3Very high93.8Very high47 Ų4764 Ų6433%0.32933%0.331SS..  trans-79.4136.4178.5-63.60000109.1R85 N86 S88 Y92R85-S90 WeakPolarHBondContact CA-O 3.29Å; N86-S90 PolarHBondContact N-O 3.48Å; N86-S90 VanDerWaalsContact N-O 3.13Å; N86-S90 WeakPolarHBondContact OD1-CB 3.49Å; N86-S90 PolarHBondContact OD1-N 3.11Å; S88-S90 PolarHBondContact O-N 3.28Å; S88-S90 VanDerWaalsContact O-N 3.09Å; S90-Y92 WeakPolarHBondContact CB-OH 3.27Å
91I92.4Very high93.9Very high127 Ų12763.3 Ų63.365%0.65133%0.325SS*.EExtended strand (participates in β ladder)trans-103.7130.5-177.4-59.1172.4000108.8Y84 R85Y84-I91 WeakPolarHBondContact O-CA 3.33Å; R85-I91 HydrophobicContact CB-CG1 4.42Å; R85-I91 HydrophobicContact CG-CG1 4.19Å
92Y94.9Very high93.9Very high94 Ų9459.5 Ų59.537%0.36931%0.308SS..EExtended strand (participates in β ladder)trans-127.2158.2180-59.7-88.9000109.5L83 Y84 S90L83-Y92 WeakPolarHBondContact CA-O 3.45Å; Y84-Y92 HydrophobicContact CD2-CD2 4.12Å; Y84-Y92 HydrophobicContact CE1-CD2 4.16Å; Y84-Y92 AromaticContact CE1-CG 3.89Å; Y84-Y92 HydrophobicContact CE1-CG 3.89Å; Y84-Y92 AromaticContact CE2-CD2 3.43Å; Y84-Y92 HydrophobicContact CE2-CD2 3.43Å; Y84-Y92 VanDerWaalsContact CE2-CD2 3.43Å; Y84-Y92 HydrophobicContact CE2-CE2 4.12Å; Y84-Y92 HydrophobicContact CE2-CG 4.02Å; Y84-Y92 VanDerWaalsContact CZ-CB 3.48Å; Y84-Y92 AromaticContact CZ-CD2 3.44Å; Y84-Y92 VanDerWaalsContact CZ-CD2 3.44Å; Y84-Y92 AromaticContact CZ-CG 3.54Å; Y84-Y92 PolarHBondContact N-O 3.04Å; Y84-Y92 PolarHBondContact O-N 2.91Å; S90-Y92 WeakPolarHBondContact CB-OH 3.27Å
93S94.6Very high93.8Very high64 Ų6463.6 Ų63.645%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-131.2132173.7-178.50000108.2F81F81-S93 WeakPolarHBondContact CD1-OG 3.4Å
94I95.4Very high93.9Very high10 Ų1066.4 Ų66.45%0.05133%0.334CS..EExtended strand (participates in β ladder)trans-117114.9176.9-6.8177.1000110.5Q32 L41 F54 I56 F81 L82 Y84 F96Q32-I94 HydrophobicContact CB-CG2 4.41Å; Q32-I94 HydrophobicContact CG-CG2 4.25Å; L41-I94 HydrophobicContact CD1-CD1 4.02Å; F54-I94 HydrophobicContact CE2-CD1 4.2Å; F54-I94 HydrophobicContact CZ-CD1 4.45Å; I56-I94 HydrophobicContact CD1-CG2 3.7Å; F81-I94 CarbonylContact C-O 3.49Å; F81-I94 WeakPolarHBondContact CA-O 3.46Å; L82-I94 PolarHBondContact N-O 2.9Å; L82-I94 WeakPolarHBondContact O-CG1 3.29Å; L82-I94 PolarHBondContact O-N 3.33Å; Y84-I94 HydrophobicContact CD1-CD1 3.85Å; Y84-I94 HydrophobicContact CD1-CG1 3.83Å; Y84-I94 HydrophobicContact CE1-CD1 3.88Å; Y84-I94 HydrophobicContact CE1-CG1 3.93Å; I94-F96 HydrophobicContact CB-CE2 4.34Å; I94-F96 WeakPolarHBondContact O-CD2 3.32Å; I94-F96 WeakPolarHBondContact O-CE2 3.35Å
95W94.7Very high93.9Very high70 Ų7066.1 Ų66.127%0.26533%0.333SS..EExtended strand (participates in β ladder)trans-91.6132-178.4179.471.5000110.8Q32 E33 P80 F81 Y97Q32-W95 WeakPolarHBondContact CA-O 3.43Å; Q32-W95 WeakPolarHBondContact CB-O 3.41Å; Q32-W95 WeakPolarHBondContact CG-O 3.09Å; E33-W95 HydrophobicContact CB-CE3 3.72Å; E33-W95 HydrophobicContact CB-CZ3 3.73Å; P80-W95 VanDerWaalsContact CG-NE1 3.32Å; F81-W95 HydrophobicContact CD1-CB 3.66Å; F81-W95 AromaticContact CD1-CD1 3.63Å; F81-W95 HydrophobicContact CD1-CG 4.04Å; F81-W95 HydrophobicContact CE1-CB 3.64Å; F81-W95 AromaticContact CE1-CD1 3.24Å; F81-W95 AromaticContact CE1-CG 3.69Å; F81-W95 HydrophobicContact CE1-CG 3.69Å; F81-W95 AromaticContact CZ-CD1 3.51Å; F81-W95 HydrophobicContact CZ-CG 4.34Å; W95-Y97 AromaticContact CH2-CD1 3.35Å; W95-Y97 HydrophobicContact CH2-CD1 3.35Å; W95-Y97 AromaticContact CH2-CE1 3.55Å; W95-Y97 HydrophobicContact CH2-CE1 3.55Å; W95-Y97 HydrophobicContact CH2-CG 4.07Å; W95-Y97 AromaticContact CZ3-CD1 3.41Å; W95-Y97 HydrophobicContact CZ3-CD1 3.41Å; W95-Y97 VanDerWaalsContact CZ3-CD1 3.41Å; W95-Y97 HydrophobicContact CZ3-CD2 4.27Å; W95-Y97 AromaticContact CZ3-CE1 3.3Å; W95-Y97 HydrophobicContact CZ3-CE1 3.3Å; W95-Y97 HydrophobicContact CZ3-CE2 4.19Å; W95-Y97 AromaticContact CZ3-CG 3.9Å; W95-Y97 HydrophobicContact CZ3-CG 3.9Å; W95-Y97 AromaticContact CZ3-CZ 3.71Å
96F95Very high94Very high1 Ų162.4 Ų62.40%0.00432%0.322CS..BIsolated β-bridgetrans-106.3138.5-179.7-68.1-106.2000111T30 L41 P80 L82 I94 D98 D101 C102 I105T30-F96 HydrophobicContact CG2-CD1 4.25Å; T30-F96 HydrophobicContact CG2-CE1 4.04Å; T30-F96 WeakPolarHBondContact OG1-CE1 3.34Å; L41-F96 HydrophobicContact CD1-CZ 4.28Å; P80-F96 PolarHBondContact O-N 3.2Å; L82-F96 HydrophobicContact CB-CE2 3.68Å; L82-F96 HydrophobicContact CB-CZ 4.45Å; L82-F96 HydrophobicContact CD2-CE2 4.39Å; L82-F96 HydrophobicContact CD2-CZ 4.37Å; I94-F96 HydrophobicContact CB-CE2 4.34Å; I94-F96 WeakPolarHBondContact O-CD2 3.32Å; I94-F96 WeakPolarHBondContact O-CE2 3.35Å; F96-D98 WeakPolarHBondContact CB-O 3.47Å; F96-D101 HydrophobicContact CD1-CB 4.03Å; F96-C102 HydrophobicContact CB-CB 3.83Å; F96-C102 HydrophobicContact CD1-CB 4.35Å; F96-C102 HydrophobicContact CD2-CB 3.78Å; F96-C102 VanDerWaalsContact CD2-SG 3.59Å; F96-C102 HydrophobicContact CE2-CB 4.44Å; F96-C102 HydrophobicContact CG-CB 3.73Å; F96-I105 HydrophobicContact CE1-CB 4.04Å; F96-I105 HydrophobicContact CE1-CG1 3.85Å; F96-I105 HydrophobicContact CE1-CG2 4.36Å; F96-I105 HydrophobicContact CZ-CB 4.02Å; F96-I105 HydrophobicContact CZ-CG1 4.31Å; F96-I105 HydrophobicContact CZ-CG2 3.97Å
97Y92.1Very high94.2Very high106 Ų10668.7 Ų68.742%0.41635%0.348SS..SBendtrans-64.4-40.6171-72.1-75.8000112.1G31 E33 R59 W95G31-Y97 VanDerWaalsContact O-CD2 3.31Å; G31-Y97 WeakPolarHBondContact O-CD2 3.35Å; E33-Y97 WeakPolarHBondContact CB-OH 3.47Å; E33-Y97 PolarHBondContact OE2-OH 3.25Å; R59-Y97 PolarHBondContact NH2-OH 3.37Å; W95-Y97 AromaticContact CH2-CD1 3.35Å; W95-Y97 HydrophobicContact CH2-CD1 3.35Å; W95-Y97 AromaticContact CH2-CE1 3.55Å; W95-Y97 HydrophobicContact CH2-CE1 3.55Å; W95-Y97 HydrophobicContact CH2-CG 4.07Å; W95-Y97 AromaticContact CZ3-CD1 3.41Å; W95-Y97 HydrophobicContact CZ3-CD1 3.41Å; W95-Y97 VanDerWaalsContact CZ3-CD1 3.41Å; W95-Y97 HydrophobicContact CZ3-CD2 4.27Å; W95-Y97 AromaticContact CZ3-CE1 3.3Å; W95-Y97 HydrophobicContact CZ3-CE1 3.3Å; W95-Y97 HydrophobicContact CZ3-CE2 4.19Å; W95-Y97 AromaticContact CZ3-CG 3.9Å; W95-Y97 HydrophobicContact CZ3-CG 3.9Å; W95-Y97 AromaticContact CZ3-CZ 3.71Å
98D92.8Very high94.5Very high63 Ų6368 Ų6834%0.33734%0.336SS..SBendtrans-104.6124.2175.1-172.4-9.3000110.3F96 N100 D101 C102F96-D98 WeakPolarHBondContact CB-O 3.47Å; D98-N100 PolarHBondContact O-N 3.12Å; D98-N100 WeakPolarHBondContact OD1-CB 3.4Å; D98-N100 PolarHBondContact OD1-N 3.32Å; D98-N100 PolarHBondContact OD1-ND2 3.41Å; D98-D101 HydrophobicContact CB-CB 4.03Å; D98-D101 WeakPolarHBondContact O-CB 3.46Å; D98-D101 PolarHBondContact O-N 3.34Å; D98-C102 PolarHBondContact O-N 2.96Å; D98-C102 VanDerWaalsContact O-N 3.1Å
99K92.8Very high94.8Very high126 Ų12663.4 Ų63.455%0.54831%0.305SS..Hα-helixtrans-65.6-26.417665.7177-177.8175.90113.2C102 H103K99-C102 WeakPolarHBondContact O-CB 3.49Å; K99-C102 PolarHBondContact O-N 3.42Å; K99-H103 PolarHBondContact O-N 3.36Å; K99-H103 VanDerWaalsContact O-N 3.09Å; K99-H103 PolarHBondContact O-ND1 3.46Å
100N95.4Very high95Very high99 Ų9961 Ų6153%0.52930%0.301SS..Hα-helixtrans-70.3-38.3175.9-57.5-62.9000110.8D98 H103 R104D98-N100 PolarHBondContact O-N 3.12Å; D98-N100 WeakPolarHBondContact OD1-CB 3.4Å; D98-N100 PolarHBondContact OD1-N 3.32Å; D98-N100 PolarHBondContact OD1-ND2 3.41Å; N100-H103 PolarHBondContact O-N 3Å; N100-R104 WeakPolarHBondContact O-CB 3.36Å; N100-R104 PolarHBondContact O-N 3.02Å
101D95.4Very high95.3Very high30 Ų3062.9 Ų62.916%0.1631%0.307CS..Hα-helixtrans-62.5-45.4172.1-81.4-6.2000110.7T30 F96 D98 H103 R104 I105T30-D101 HydrophobicContact CG2-CB 3.49Å; T30-D101 VanDerWaalsContact CG2-CB 3.49Å; F96-D101 HydrophobicContact CD1-CB 4.03Å; D98-D101 HydrophobicContact CB-CB 4.03Å; D98-D101 WeakPolarHBondContact O-CB 3.46Å; D98-D101 PolarHBondContact O-N 3.34Å; D101-H103 VanDerWaalsContact C-N 3.33Å; D101-H103 PolarHBondContact O-N 3.35Å; D101-R104 PolarHBondContact O-N 2.99Å; D101-R104 IonicContact OD1-CZ 3.41Å; D101-R104 IonicContact OD1-NH1 2.58Å; D101-R104 PolarHBondContact OD1-NH1 3.26Å; D101-R104 IonicContact OD1-NH2 3.22Å; D101-R104 PolarHBondContact OD1-NH2 3.09Å; D101-I105 WeakPolarHBondContact O-CB 3.25Å; D101-I105 WeakPolarHBondContact O-CG1 3.25Å; D101-I105 PolarHBondContact O-N 3.3Å
102C95.4Very high95.5Very high0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-51.9-51.7174.6-1670000111.6L77 F96 D98 K99 A106L77-C102 WeakPolarHBondContact CD1-SG 3.29Å; F96-C102 HydrophobicContact CB-CB 3.83Å; F96-C102 HydrophobicContact CD1-CB 4.35Å; F96-C102 HydrophobicContact CD2-CB 3.78Å; F96-C102 VanDerWaalsContact CD2-SG 3.59Å; F96-C102 HydrophobicContact CE2-CB 4.44Å; F96-C102 HydrophobicContact CG-CB 3.73Å; D98-C102 PolarHBondContact O-N 2.96Å; D98-C102 VanDerWaalsContact O-N 3.1Å; K99-C102 WeakPolarHBondContact O-CB 3.49Å; K99-C102 PolarHBondContact O-N 3.42Å; C102-A106 VanDerWaalsContact O-CB 3.26Å; C102-A106 WeakPolarHBondContact O-CB 3.4Å; C102-A106 PolarHBondContact O-N 3.36Å
103H96Very high95.5Very high85 Ų8553.7 Ų53.739%0.39427%0.266SS..Hα-helixtrans-62.3-46.2177.3-92.5115.8000113.5E79 K99 N100 D101 I105 A106 K107E79-H103 VanDerWaalsContact CD-ND1 3.3Å; E79-H103 IonicContact OE1-CE1 3.71Å; E79-H103 PolarHBondContact OE1-CE1 2.93Å; E79-H103 IonicContact OE1-ND1 3.97Å; E79-H103 PolarHBondContact OE1-ND1 2.88Å; E79-H103 IonicContact OE1-NE2 3.38Å; E79-H103 IonicContact OE2-CE1 2.84Å; E79-H103 PolarHBondContact OE2-CE1 2.93Å; E79-H103 IonicContact OE2-ND1 3.12Å; E79-H103 IonicContact OE2-NE2 3.64Å; K99-H103 PolarHBondContact O-N 3.36Å; K99-H103 VanDerWaalsContact O-N 3.09Å; K99-H103 PolarHBondContact O-ND1 3.46Å; N100-H103 PolarHBondContact O-N 3Å; D101-H103 VanDerWaalsContact C-N 3.33Å; D101-H103 PolarHBondContact O-N 3.35Å; H103-I105 PolarHBondContact O-N 3.07Å; H103-A106 PolarHBondContact O-N 3.29Å; H103-K107 WeakPolarHBondContact O-CB 3.44Å; H103-K107 PolarHBondContact O-N 3.49Å
104R97.6Very high95.6Very high107 Ų10757.3 Ų57.340%0.40428%0.276SS..Hα-helixtrans-61.2-46.3-178.6-173.4176.170.3-117.2-1110.7D28 N100 D101 K107 L108D28-R104 VanDerWaalsContact CG-NE 3.35Å; D28-R104 IonicContact OD1-CZ 2.75Å; D28-R104 IonicContact OD1-NE 3.98Å; D28-R104 PolarHBondContact OD1-NE 2.8Å; D28-R104 IonicContact OD1-NH2 3.05Å; D28-R104 PolarHBondContact OD1-NH2 3.22Å; D28-R104 WeakPolarHBondContact OD2-CD 3.4Å; D28-R104 WeakPolarHBondContact OD2-CG 3.45Å; D28-R104 IonicContact OD2-CZ 3.41Å; D28-R104 IonicContact OD2-NE 2.64Å; D28-R104 PolarHBondContact OD2-NE 3.14Å; D28-R104 IonicContact OD2-NH2 3.75Å; N100-R104 WeakPolarHBondContact O-CB 3.36Å; N100-R104 PolarHBondContact O-N 3.02Å; D101-R104 PolarHBondContact O-N 2.99Å; D101-R104 IonicContact OD1-CZ 3.41Å; D101-R104 IonicContact OD1-NH1 2.58Å; D101-R104 PolarHBondContact OD1-NH1 3.26Å; D101-R104 IonicContact OD1-NH2 3.22Å; D101-R104 PolarHBondContact OD1-NH2 3.09Å; R104-K107 PolarHBondContact O-N 3.47Å; R104-L108 WeakPolarHBondContact O-CB 3.12Å; R104-L108 PolarHBondContact O-N 2.75Å
105I97.2Very high95.5Very high0 Ų059.3 Ų59.30%029%0.285CS..Hα-helixtrans-68-43.4178.3-64.4-64.4000111.3D28 T30 L41 V43 L82 F96 D101 H103 K107 L108 M109D28-I105 HydrophobicContact CB-CD1 3.44Å; D28-I105 VanDerWaalsContact CB-CD1 3.44Å; D28-I105 VanDerWaalsContact OD2-CD1 3.29Å; D28-I105 WeakPolarHBondContact OD2-CD1 3.3Å; T30-I105 HydrophobicContact CG2-CD1 4Å; T30-I105 HydrophobicContact CG2-CG1 3.61Å; L41-I105 HydrophobicContact CD2-CD1 4.08Å; L41-I105 HydrophobicContact CD2-CG1 4.45Å; L41-I105 HydrophobicContact CD2-CG2 4.27Å; V43-I105 HydrophobicContact CG2-CD1 4.01Å; L82-I105 HydrophobicContact CD2-CG2 4Å; F96-I105 HydrophobicContact CE1-CB 4.04Å; F96-I105 HydrophobicContact CE1-CG1 3.85Å; F96-I105 HydrophobicContact CE1-CG2 4.36Å; F96-I105 HydrophobicContact CZ-CB 4.02Å; F96-I105 HydrophobicContact CZ-CG1 4.31Å; F96-I105 HydrophobicContact CZ-CG2 3.97Å; D101-I105 WeakPolarHBondContact O-CB 3.25Å; D101-I105 WeakPolarHBondContact O-CG1 3.25Å; D101-I105 PolarHBondContact O-N 3.3Å; H103-I105 PolarHBondContact O-N 3.07Å; I105-K107 VanDerWaalsContact C-N 3.27Å; I105-K107 PolarHBondContact O-N 3.46Å; I105-L108 HydrophobicContact CD1-CD2 4.46Å; I105-L108 PolarHBondContact O-N 3Å; I105-L108 VanDerWaalsContact O-N 3.17Å; I105-M109 HydrophobicContact CG2-CE 4.03Å; I105-M109 HydrophobicContact CG2-CG 4.03Å; I105-M109 WeakPolarHBondContact O-CB 3.46Å; I105-M109 VanDerWaalsContact O-CG 3.27Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.08Å
106A97Very high95.5Very high12 Ų1256.2 Ų56.210%0.09927%0.274CS..Hα-helixtrans-57.4-43.1177.300000111.8L77 L82 C102 H103 M109 A110L77-A106 HydrophobicContact CB-CB 4.21Å; L77-A106 HydrophobicContact CD1-CB 3.95Å; L77-A106 HydrophobicContact CD2-CB 4.07Å; L77-A106 HydrophobicContact CG-CB 4.31Å; L82-A106 HydrophobicContact CD1-CB 3.81Å; C102-A106 VanDerWaalsContact O-CB 3.26Å; C102-A106 WeakPolarHBondContact O-CB 3.4Å; C102-A106 PolarHBondContact O-N 3.36Å; H103-A106 PolarHBondContact O-N 3.29Å; A106-M109 PolarHBondContact O-N 3.18Å; A106-A110 PolarHBondContact O-N 2.84Å; A106-A110 VanDerWaalsContact O-N 3.1Å
107K97.1Very high95.4Very high143 Ų14358.1 Ų58.162%0.62229%0.285SS*.Hα-helixtrans-63.6-48.2174.7-174.6179.6177.8-176.70111.9H103 R104 I105 M109 A110 D111H103-K107 WeakPolarHBondContact O-CB 3.44Å; H103-K107 PolarHBondContact O-N 3.49Å; R104-K107 PolarHBondContact O-N 3.47Å; I105-K107 VanDerWaalsContact C-N 3.27Å; I105-K107 PolarHBondContact O-N 3.46Å; K107-M109 VanDerWaalsContact C-N 3.31Å; K107-M109 PolarHBondContact O-N 3.36Å; K107-A110 PolarHBondContact O-N 2.73Å; K107-D111 PolarHBondContact O-N 3.05Å; K107-D111 VanDerWaalsContact O-N 3.12Å
108L97.3Very high95.5Very high41 Ų4159.7 Ų59.722%0.21529%0.291CS..Hα-helixtrans-57.8-43.9177.7175.462.5000111.8A27 D28 V43 R104 I105 D111 V112A27-L108 HydrophobicContact CB-CD2 4.14Å; D28-L108 HydrophobicContact CB-CD2 3.8Å; V43-L108 HydrophobicContact CB-CD2 3.96Å; V43-L108 HydrophobicContact CG1-CD2 3.97Å; V43-L108 HydrophobicContact CG1-CG 4.48Å; V43-L108 HydrophobicContact CG2-CD2 4.07Å; R104-L108 WeakPolarHBondContact O-CB 3.12Å; R104-L108 PolarHBondContact O-N 2.75Å; I105-L108 HydrophobicContact CD1-CD2 4.46Å; I105-L108 PolarHBondContact O-N 3Å; I105-L108 VanDerWaalsContact O-N 3.17Å; L108-D111 PolarHBondContact O-N 3.05Å; L108-V112 HydrophobicContact CD1-CG2 4.04Å; L108-V112 HydrophobicContact CG-CG2 4.42Å; L108-V112 WeakPolarHBondContact O-CB 3.14Å; L108-V112 VanDerWaalsContact O-CG2 3.24Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 2.87Å
109M96.9Very high95.5Very high0 Ų060.8 Ų60.80%029%0.29CS..Hα-helixtrans-63.6-41.1179-70.6-58.3-172.600111.9V43 F54 V69 F75 L82 I105 A106 K107 V112 V113V43-M109 HydrophobicContact CB-CE 4.49Å; V43-M109 HydrophobicContact CG1-CE 4.29Å; V43-M109 HydrophobicContact CG1-SD 4.37Å; V43-M109 HydrophobicContact CG2-CE 3.45Å; V43-M109 VanDerWaalsContact CG2-CE 3.45Å; V43-M109 HydrophobicContact CG2-SD 4.39Å; F54-M109 HydrophobicContact CB-CE 3.74Å; F54-M109 HydrophobicContact CD1-CE 3.61Å; F54-M109 HydrophobicContact CD1-SD 4.35Å; F54-M109 HydrophobicContact CE1-CE 4.34Å; F54-M109 HydrophobicContact CG-CE 3.73Å; V69-M109 HydrophobicContact CG2-SD 4.31Å; F75-M109 HydrophobicContact CD1-CB 4.37Å; F75-M109 HydrophobicContact CD2-CB 3.91Å; F75-M109 HydrophobicContact CE1-CB 4.19Å; F75-M109 HydrophobicContact CE1-CG 3.97Å; F75-M109 HydrophobicContact CE1-SD 4.47Å; F75-M109 HydrophobicContact CE2-CB 3.71Å; F75-M109 HydrophobicContact CE2-CG 4.16Å; F75-M109 HydrophobicContact CE2-SD 4.37Å; F75-M109 HydrophobicContact CG-CB 4.22Å; F75-M109 HydrophobicContact CZ-CB 3.84Å; F75-M109 HydrophobicContact CZ-CG 3.76Å; F75-M109 HydrophobicContact CZ-SD 3.84Å; L82-M109 HydrophobicContact CD2-CG 4.5Å; I105-M109 HydrophobicContact CG2-CE 4.03Å; I105-M109 HydrophobicContact CG2-CG 4.03Å; I105-M109 WeakPolarHBondContact O-CB 3.46Å; I105-M109 VanDerWaalsContact O-CG 3.27Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.08Å; A106-M109 PolarHBondContact O-N 3.18Å; K107-M109 VanDerWaalsContact C-N 3.31Å; K107-M109 PolarHBondContact O-N 3.36Å; M109-V112 PolarHBondContact O-N 3.4Å; M109-V113 WeakPolarHBondContact O-CB 3.45Å; M109-V113 VanDerWaalsContact O-CG2 3.29Å; M109-V113 WeakPolarHBondContact O-CG2 3.37Å; M109-V113 PolarHBondContact O-N 3.49Å
110A95.6Very high95.3Very high57 Ų5757 Ų5747%0.47128%0.279SS..Hα-helixtrans-59.6-47.9175.900000111.7A106 K107 V112 V113 E114A106-A110 PolarHBondContact O-N 2.84Å; A106-A110 VanDerWaalsContact O-N 3.1Å; K107-A110 PolarHBondContact O-N 2.73Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 2.97Å; A110-V113 PolarHBondContact O-N 2.98Å; A110-E114 PolarHBondContact O-N 3.27Å
111D96Very high95Very high85 Ų8557.6 Ų57.646%0.45528%0.279SS..Hα-helixtrans-61.3-41.8178.6-64.6-17.2000111.4K107 L108 E114 E115K107-D111 PolarHBondContact O-N 3.05Å; K107-D111 VanDerWaalsContact O-N 3.12Å; L108-D111 PolarHBondContact O-N 3.05Å; D111-E114 PolarHBondContact O-N 2.78Å; D111-E115 PolarHBondContact O-N 3.43Å
112V95.8Very high94.7Very high7 Ų760.4 Ų60.44%0.04229%0.291CS..Hα-helixtrans-69.7-42-179170.20000112.1H52 V69 L108 M109 A110 E114 E115 E116H52-V112 HydrophobicContact CB-CG1 3.24Å; V69-V112 HydrophobicContact CB-CG1 4.15Å; V69-V112 HydrophobicContact CG1-CG1 3.6Å; L108-V112 HydrophobicContact CD1-CG2 4.04Å; L108-V112 HydrophobicContact CG-CG2 4.42Å; L108-V112 WeakPolarHBondContact O-CB 3.14Å; L108-V112 VanDerWaalsContact O-CG2 3.24Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 2.87Å; M109-V112 PolarHBondContact O-N 3.4Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 2.97Å; V112-E114 VanDerWaalsContact C-N 3.32Å; V112-E114 PolarHBondContact O-N 2.91Å; V112-E115 PolarHBondContact O-N 3.42Å; V112-E116 PolarHBondContact O-N 3.22Å
113V95.9Very high94.2Very high22 Ų2263 Ų6313%0.13331%0.312CS..Hα-helixtrans-63.6-40.1176.2169.80000110.8V69 L73 F75 M109 A110 E115 E116 T117V69-V113 HydrophobicContact CG1-CG2 3.66Å; L73-V113 HydrophobicContact CB-CG2 4.43Å; F75-V113 HydrophobicContact CD2-CG2 4.08Å; F75-V113 HydrophobicContact CE2-CG2 3.75Å; M109-V113 WeakPolarHBondContact O-CB 3.45Å; M109-V113 VanDerWaalsContact O-CG2 3.29Å; M109-V113 WeakPolarHBondContact O-CG2 3.37Å; M109-V113 PolarHBondContact O-N 3.49Å; A110-V113 PolarHBondContact O-N 2.98Å; V113-E115 VanDerWaalsContact C-N 3.34Å; V113-E116 PolarHBondContact O-N 3Å; V113-T117 WeakPolarHBondContact O-CB 3.13Å; V113-T117 PolarHBondContact O-N 3.42Å; V113-T117 PolarHBondContact O-OG1 2.94Å
114E95.5Very high93.5Very high139 Ų13961.5 Ų61.565%0.6531%0.314SS*.Hα-helixtrans-61-43.7173.5-174.4-179.8-167.200111.2A110 D111 V112 T117 R118A110-E114 PolarHBondContact O-N 3.27Å; D111-E114 PolarHBondContact O-N 2.78Å; V112-E114 VanDerWaalsContact C-N 3.32Å; V112-E114 PolarHBondContact O-N 2.91Å; E114-T117 WeakPolarHBondContact O-CB 3.26Å; E114-T117 PolarHBondContact O-N 3.34Å; E114-R118 WeakPolarHBondContact O-CB 3.38Å; E114-R118 PolarHBondContact O-N 2.65Å
115E94.9Very high92.6Very high53 Ų5364 Ų6425%0.24832%0.324CS..Hα-helixtrans-62-45.7177.9-165.8-174.4170.100112.3H52 D111 V112 V113 T117 R118 R119H52-E115 IonicContact CE1-OE2 3.89Å; H52-E115 PolarHBondContact CE1-OE2 3.12Å; H52-E115 IonicContact NE2-OE2 2.74Å; D111-E115 PolarHBondContact O-N 3.43Å; V112-E115 PolarHBondContact O-N 3.42Å; V113-E115 VanDerWaalsContact C-N 3.34Å; E115-T117 VanDerWaalsContact C-N 3.3Å; E115-T117 PolarHBondContact O-N 2.79Å; E115-R118 PolarHBondContact O-N 3.37Å; E115-R119 WeakPolarHBondContact O-CB 3.17Å; E115-R119 WeakPolarHBondContact O-CG 3.43Å; E115-R119 PolarHBondContact O-N 2.87Å; E115-R119 IonicContact OE1-CZ 3.95Å; E115-R119 VanDerWaalsContact OE1-CZ 3.28Å; E115-R119 IonicContact OE1-NE 3.28Å; E115-R119 PolarHBondContact OE1-NE 3.06Å; E115-R119 IonicContact OE1-NH2 2.67Å; E115-R119 PolarHBondContact OE1-NH2 3.25Å
116E93.9Very high91.4Very high5 Ų568.5 Ų68.52%0.02335%0.348CS..Hα-helixtrans-62.7-38176.2-71.7-62.2149.900111.9Y51 H52 V112 V113 R119 S120Y51-E116 VanDerWaalsContact CA-OE1 3.3Å; Y51-E116 WeakPolarHBondContact CA-OE1 3.33Å; Y51-E116 WeakPolarHBondContact CB-OE1 3.46Å; Y51-E116 PolarHBondContact N-OE1 3.33Å; H52-E116 IonicContact CG-OE1 2.97Å; H52-E116 PolarHBondContact N-OE1 3.49Å; H52-E116 IonicContact ND1-OE1 2.82Å; H52-E116 PolarHBondContact ND1-OE1 3.06Å; V112-E116 PolarHBondContact O-N 3.22Å; V113-E116 PolarHBondContact O-N 3Å; E116-R119 PolarHBondContact O-N 2.85Å; E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.34Å; E116-S120 PolarHBondContact O-N 3.09Å; E116-S120 PolarHBondContact O-OG 3.02Å
117T93.4Very high89.8Confident40 Ų4077 Ų7725%0.24538%0.383CS..Hα-helixtrans-63.3-48.3175.5-60.20000110.9K71 V113 E114 E115 R119 S120 Q121K71-T117 WeakPolarHBondContact CB-OG1 3.48Å; V113-T117 WeakPolarHBondContact O-CB 3.13Å; V113-T117 PolarHBondContact O-N 3.42Å; V113-T117 PolarHBondContact O-OG1 2.94Å; E114-T117 WeakPolarHBondContact O-CB 3.26Å; E114-T117 PolarHBondContact O-N 3.34Å; E115-T117 VanDerWaalsContact C-N 3.3Å; E115-T117 PolarHBondContact O-N 2.79Å; T117-R119 PolarHBondContact O-N 2.9Å; T117-S120 PolarHBondContact O-N 3.15Å; T117-Q121 WeakPolarHBondContact O-CG 3.42Å; T117-Q121 PolarHBondContact O-N 2.67Å
118R94.3Very high87.9Confident140 Ų14077.6 Ų77.653%0.52839%0.388SS..Hα-helixtrans-61.2-44.9177-174.2-169.862.474.62.3111.7E114 E115 S120 Q121 Q122E114-R118 WeakPolarHBondContact O-CB 3.38Å; E114-R118 PolarHBondContact O-N 2.65Å; E115-R118 PolarHBondContact O-N 3.37Å; R118-S120 VanDerWaalsContact C-N 3.33Å; R118-S120 PolarHBondContact O-N 2.84Å; R118-Q121 PolarHBondContact O-N 2.73Å; R118-Q122 PolarHBondContact O-N 3.18Å
119R92.3Very high85.6Confident86 Ų8679 Ų7933%0.32540%0.401SS..Hα-helixtrans-60.5-42.8176.3-75.3174.8179.4-116.30.8111.5E115 E116 T117 Q122 A123E115-R119 WeakPolarHBondContact O-CB 3.17Å; E115-R119 WeakPolarHBondContact O-CG 3.43Å; E115-R119 PolarHBondContact O-N 2.87Å; E115-R119 IonicContact OE1-CZ 3.95Å; E115-R119 VanDerWaalsContact OE1-CZ 3.28Å; E115-R119 IonicContact OE1-NE 3.28Å; E115-R119 PolarHBondContact OE1-NE 3.06Å; E115-R119 IonicContact OE1-NH2 2.67Å; E115-R119 PolarHBondContact OE1-NH2 3.25Å; E116-R119 PolarHBondContact O-N 2.85Å; T117-R119 PolarHBondContact O-N 2.9Å; R119-Q122 PolarHBondContact O-N 3.22Å; R119-A123 WeakPolarHBondContact O-CB 3.23Å; R119-A123 PolarHBondContact O-N 3.17Å
120S89.1Confident83.7Confident45 Ų4584.6 Ų84.632%0.31544%0.437SS..Hα-helixtrans-63.7-40.6177.7-62.20000112.3E116 T117 R118 A124E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.34Å; E116-S120 PolarHBondContact O-N 3.09Å; E116-S120 PolarHBondContact O-OG 3.02Å; T117-S120 PolarHBondContact O-N 3.15Å; R118-S120 VanDerWaalsContact C-N 3.33Å; R118-S120 PolarHBondContact O-N 2.84Å; S120-A124 PolarHBondContact O-N 2.79Å; S120-A124 VanDerWaalsContact O-N 3.11Å
121Q89.4Confident81.9Confident113 Ų11386.2 Ų86.253%0.52845%0.445SS..Hα-helixtrans-67.5-40.1176.3-70.5176.415.600112.3T117 R118 A124 R125T117-Q121 WeakPolarHBondContact O-CG 3.42Å; T117-Q121 PolarHBondContact O-N 2.67Å; R118-Q121 PolarHBondContact O-N 2.73Å; Q121-A124 PolarHBondContact O-N 3.5Å; Q121-R125 WeakPolarHBondContact O-CG 3.38Å; Q121-R125 PolarHBondContact O-N 2.91Å
122Q88.2Confident79.8Confident89 Ų8990.9 Ų90.942%0.41646%0.464SS..Hα-helixtrans-63.6-46175.9-173.361.743.700111.2R118 R119 A124 R125 D126R118-Q122 PolarHBondContact O-N 3.18Å; R119-Q122 PolarHBondContact O-N 3.22Å; Q122-A124 PolarHBondContact O-N 3.21Å; Q122-R125 PolarHBondContact O-N 2.82Å; Q122-D126 PolarHBondContact NE2-OD1 3.02Å; Q122-D126 PolarHBondContact O-N 3.22Å
123A84.8Confident77.2Confident54 Ų5495.2 Ų95.245%0.44650%0.501SS..Hα-helixtrans-60-36.1177.100000112.3R119 K127R119-A123 WeakPolarHBondContact O-CB 3.23Å; R119-A123 PolarHBondContact O-N 3.17Å; A123-K127 WeakPolarHBondContact O-CG 3.27Å; A123-K127 PolarHBondContact O-N 3.33Å
124A82.1Confident75.3Confident53 Ų53102.1 Ų102.144%0.43854%0.537SS..Hα-helixtrans-67.8-38.3174.300000112.5S120 Q121 Q122 K127 Q128S120-A124 PolarHBondContact O-N 2.79Å; S120-A124 VanDerWaalsContact O-N 3.11Å; Q121-A124 PolarHBondContact O-N 3.5Å; Q122-A124 PolarHBondContact O-N 3.21Å; A124-K127 PolarHBondContact O-N 3.24Å; A124-Q128 WeakPolarHBondContact O-CG 3.34Å; A124-Q128 PolarHBondContact O-N 3.39Å
125R78.2Confident73.1Confident160 Ų16099.6 Ų99.660%0.60455%0.548SS*.Hα-helixtrans-70.6-37.8176.5-74.4-176.9173.9-173.4-0.5113.2Q121 Q122 K127 Q128 S129Q121-R125 WeakPolarHBondContact O-CG 3.38Å; Q121-R125 PolarHBondContact O-N 2.91Å; Q122-R125 PolarHBondContact O-N 2.82Å; R125-K127 VanDerWaalsContact C-N 3.27Å; R125-K127 PolarHBondContact O-N 3.1Å; R125-Q128 CarbonylContact O-C 3.49Å; R125-Q128 WeakPolarHBondContact O-CA 3.07Å; R125-Q128 PolarHBondContact O-N 2.98Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 3.49Å; R125-S129 VanDerWaalsContact O-OG 3.05Å
126D72.9Confident70.7Confident95 Ų95102.5 Ų102.551%0.50857%0.573SS.*Hα-helixtrans-65.8-33.1176.1-66.4-18.4000111Q122 Q128 S129Q122-D126 PolarHBondContact NE2-OD1 3.02Å; Q122-D126 PolarHBondContact O-N 3.22Å; D126-Q128 VanDerWaalsContact C-N 3.26Å; D126-Q128 PolarHBondContact O-N 2.91Å; D126-S129 PolarHBondContact O-N 3.41Å
127K62.6Low68.7Low191 Ų191108 Ų10883%0.8361%0.613SS**Hα-helixtrans-70.1-21.5171.3-63.7-108.1-179.4178.70113.4A123 A124 R125A123-K127 WeakPolarHBondContact O-CG 3.27Å; A123-K127 PolarHBondContact O-N 3.33Å; A124-K127 PolarHBondContact O-N 3.24Å; R125-K127 VanDerWaalsContact C-N 3.27Å; R125-K127 PolarHBondContact O-N 3.1Å
128Q56.8Low66.6Low155 Ų155111.6 Ų111.672%0.72463%0.63SS**Hα-helixtrans-96.6-6.4178.6-71.2179.2-41.100113.2A124 R125 D126 P130A124-Q128 WeakPolarHBondContact O-CG 3.34Å; A124-Q128 PolarHBondContact O-N 3.39Å; R125-Q128 CarbonylContact O-C 3.49Å; R125-Q128 WeakPolarHBondContact O-CA 3.07Å; R125-Q128 PolarHBondContact O-N 2.98Å; D126-Q128 VanDerWaalsContact C-N 3.26Å; D126-Q128 PolarHBondContact O-N 2.91Å; Q128-P130 WeakPolarHBondContact O-CD 3.48Å
129S48.7Very low64.8Low71 Ų71114.8 Ų114.850%0.49765%0.651SS.*  trans-103.1105.8177.3-60.40000110.1R125 D126 S131R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 3.49Å; R125-S129 VanDerWaalsContact O-OG 3.05Å; D126-S129 PolarHBondContact O-N 3.41Å; S129-S131 PolarHBondContact O-N 3.35Å; S129-S131 VanDerWaalsContact O-N 3.12Å
130P56.8Low63.4Low116 Ų116119.7 Ų119.775%0.75367%0.669SS**  trans-85.274.9175.533.9-30.6000109.4Q128Q128-P130 WeakPolarHBondContact O-CD 3.48Å
131S57.7Low62.2Low91 Ų91123.4 Ų123.464%0.63669%0.692SS**  trans-168.7140.4179.7-26.70000110.2S129S129-S131 PolarHBondContact O-N 3.35Å; S129-S131 VanDerWaalsContact O-N 3.12Å
132Q52.5Low61.4Low183 Ų183124.6 Ų124.686%0.85570%0.701SS**  cis-155.6125.918.3-61.8178.334.400107.6
133A42.4Very low61.1Low99 Ų99123.6 Ų123.682%0.81870%0.698SS**SBendtrans-102110.6155.600000106.7
134N54.2Low61.3Low166 Ų166126.3 Ų126.389%0.88870%0.704SS**SBendtrans26.599.7163.8-63.2-29000117.9
135G50Low61.3Low86 Ų86126.1 Ų126.189%0.88770%0.695SS**SBendtrans91.229.9141.400000119.6
136C45Very low61.7Low114 Ų114122.1 Ų122.177%0.7768%0.683SS**  trans-136.2105164.9-163.70000110.8D138C136-D138 VanDerWaalsContact C-N 3.31Å; C136-D138 PolarHBondContact O-N 2.85Å; C136-D138 VanDerWaalsContact O-N 3.14Å
137S51.1Low62.3Low122 Ų122122.8 Ų122.885%0.85369%0.685SS**  trans-82.969.9177.157.70000110.7
138D50.6Low63.5Low115 Ų115116.7 Ų116.762%0.61566%0.661SS**  trans-138.1120.9166.7-102.9-27.1000110.2C136 R140C136-D138 VanDerWaalsContact C-N 3.31Å; C136-D138 PolarHBondContact O-N 2.85Å; C136-D138 VanDerWaalsContact O-N 3.14Å; D138-R140 PolarHBondContact O-N 3.24Å
139H54.8Low64.8Low207 Ų207109.6 Ų109.696%0.95863%0.629SS**  trans-68.266171.8-82.7-77.2000110.6
140R63.9Low66.6Low189 Ų189113.6 Ų113.671%0.71363%0.633SS**  trans-112.5137.3166.4-65.8-163.2-156.4-161.67.1110.2D138 I142D138-R140 PolarHBondContact O-N 3.24Å; R140-I142 PolarHBondContact O-N 3.08Å
141P64.7Low68Low123 Ų123110.7 Ų110.780%0.79962%0.619SS**  trans-57.1135.4168.426.1-32.6000108.7D143P141-D143 PolarHBondContact O-N 3.2Å; P141-D143 VanDerWaalsContact O-N 3.14Å
142I71Confident69.2Low138 Ų138109.7 Ų109.771%0.70860%0.603SS**  trans-67.4111.7-179.1-61164000108R140R140-I142 PolarHBondContact O-N 3.08Å
143D83.4Confident70.7Confident68 Ų68102.4 Ų102.436%0.36457%0.57SS.*  trans-86.6113.1173-172.3-8.8000109.6P141 L145 E146 M147P141-D143 PolarHBondContact O-N 3.2Å; P141-D143 VanDerWaalsContact O-N 3.14Å; D143-L145 PolarHBondContact O-N 2.93Å; D143-L145 WeakPolarHBondContact OD1-CB 3.44Å; D143-L145 PolarHBondContact OD1-N 2.76Å; D143-E146 HydrophobicContact CB-CB 3.85Å; D143-E146 WeakPolarHBondContact O-CB 3.31Å; D143-E146 PolarHBondContact O-N 2.89Å; D143-M147 PolarHBondContact O-N 3.04Å
144I87.4Confident72.8Confident111 Ų111103 Ų10357%0.56956%0.555SS**Hα-helixtrans-61.9-35.8-179.3-59.4170.3000110.2E146 M147 L148I144-E146 VanDerWaalsContact C-N 3.34Å; I144-M147 PolarHBondContact O-N 2.94Å; I144-L148 HydrophobicContact CG2-CD1 3.91Å; I144-L148 HydrophobicContact CG2-CG 4.28Å; I144-L148 WeakPolarHBondContact O-CB 3.17Å; I144-L148 VanDerWaalsContact O-CG 3.26Å; I144-L148 WeakPolarHBondContact O-CG 3.12Å; I144-L148 PolarHBondContact O-N 2.69Å
145L83.5Confident74.3Confident48 Ų48102.4 Ų102.425%0.25154%0.542SS..Hα-helixtrans-65.7-41177.8-73.1129.4000110.9D143 M147 L148 S149 L204 V206D143-L145 PolarHBondContact O-N 2.93Å; D143-L145 WeakPolarHBondContact OD1-CB 3.44Å; D143-L145 PolarHBondContact OD1-N 2.76Å; L145-M147 PolarHBondContact O-N 3.04Å; L145-L148 PolarHBondContact O-N 3.13Å; L145-S149 WeakPolarHBondContact O-CB 3.21Å; L145-S149 PolarHBondContact O-N 3.19Å; L145-S149 PolarHBondContact O-OG 2.89Å; L145-L204 WeakPolarHBondContact CD2-O 3.33Å; L145-V206 HydrophobicContact CD2-CG2 3.98Å
146E85.4Confident75.9Confident76 Ų76102.5 Ų102.536%0.35552%0.519SS..Hα-helixtrans-62.6-43.8175.8-170.7-176.517900111.3D143 I144 S149 R150D143-E146 HydrophobicContact CB-CB 3.85Å; D143-E146 WeakPolarHBondContact O-CB 3.31Å; D143-E146 PolarHBondContact O-N 2.89Å; I144-E146 VanDerWaalsContact C-N 3.34Å; E146-S149 WeakPolarHBondContact O-CB 3.4Å; E146-S149 PolarHBondContact O-N 3.33Å; E146-R150 WeakPolarHBondContact O-CG 3.34Å; E146-R150 PolarHBondContact O-N 3.03Å; E146-R150 IonicContact OE1-CZ 3.39Å; E146-R150 IonicContact OE1-NE 3.65Å; E146-R150 PolarHBondContact OE1-NE 2.83Å; E146-R150 IonicContact OE1-NH2 3.39Å; E146-R150 PolarHBondContact OE1-NH2 3.43Å
147M86.6Confident77.7Confident110 Ų110103.7 Ų103.754%0.54251%0.508SS..Hα-helixtrans-61.9-45.6177.9-173.7179.164.700111.8D143 I144 L145 S149 R150 A151D143-M147 PolarHBondContact O-N 3.04Å; I144-M147 PolarHBondContact O-N 2.94Å; L145-M147 PolarHBondContact O-N 3.04Å; M147-S149 VanDerWaalsContact C-N 3.34Å; M147-R150 PolarHBondContact O-N 2.9Å; M147-A151 PolarHBondContact O-N 3.1Å
148L87.3Confident78.6Confident62 Ų62102.9 Ų102.933%0.32549%0.494SS..Hα-helixtrans-67.7-34.9177.9-67.1172.5000112I144 L145 A151 K152 L204 L209I144-L148 HydrophobicContact CG2-CD1 3.91Å; I144-L148 HydrophobicContact CG2-CG 4.28Å; I144-L148 WeakPolarHBondContact O-CB 3.17Å; I144-L148 VanDerWaalsContact O-CG 3.26Å; I144-L148 WeakPolarHBondContact O-CG 3.12Å; I144-L148 PolarHBondContact O-N 2.69Å; L145-L148 PolarHBondContact O-N 3.13Å; L148-A151 PolarHBondContact O-N 3.37Å; L148-K152 WeakPolarHBondContact O-CB 3.5Å; L148-K152 PolarHBondContact O-N 3.36Å; L148-L204 HydrophobicContact CB-CD2 3.48Å; L148-L204 VanDerWaalsContact CB-CD2 3.48Å; L148-L204 HydrophobicContact CD1-CD2 4.34Å; L148-L209 HydrophobicContact CD1-CD1 4.48Å; L148-L209 HydrophobicContact CD1-CD2 4.38Å
149S84.9Confident79.4Confident7 Ų7104 Ų1045%0.04950%0.496CS..Hα-helixtrans-62.1-47.8173.5-55.40000111.1L145 E146 M147 A151 K152 D153 L204L145-S149 WeakPolarHBondContact O-CB 3.21Å; L145-S149 PolarHBondContact O-N 3.19Å; L145-S149 PolarHBondContact O-OG 2.89Å; E146-S149 WeakPolarHBondContact O-CB 3.4Å; E146-S149 PolarHBondContact O-N 3.33Å; M147-S149 VanDerWaalsContact C-N 3.34Å; S149-A151 VanDerWaalsContact C-N 3.33Å; S149-A151 PolarHBondContact O-N 3.25Å; S149-K152 PolarHBondContact O-N 3.39Å; S149-D153 PolarHBondContact O-N 2.83Å; S149-L204 WeakPolarHBondContact OG-CB 3.47Å; S149-L204 PolarHBondContact OG-N 3.38Å
150R86Confident79.6Confident154 Ų154100.8 Ų100.858%0.58148%0.483SS*.Hα-helixtrans-61.9-41.3177.7-71176.8-175.9-154.44.4112E146 M147 D153 E154E146-R150 WeakPolarHBondContact O-CG 3.34Å; E146-R150 PolarHBondContact O-N 3.03Å; E146-R150 IonicContact OE1-CZ 3.39Å; E146-R150 IonicContact OE1-NE 3.65Å; E146-R150 PolarHBondContact OE1-NE 2.83Å; E146-R150 IonicContact OE1-NH2 3.39Å; E146-R150 PolarHBondContact OE1-NH2 3.43Å; M147-R150 PolarHBondContact O-N 2.9Å; R150-D153 PolarHBondContact O-N 3.06Å; R150-E154 WeakPolarHBondContact O-CB 3.3Å; R150-E154 PolarHBondContact O-N 2.82Å
151A85.4Confident79.2Confident55 Ų5594.5 Ų94.546%0.45548%0.476SS..Hα-helixtrans-64.6-41176.900000112.1M147 L148 S149 E154 Y155M147-A151 PolarHBondContact O-N 3.1Å; L148-A151 PolarHBondContact O-N 3.37Å; S149-A151 VanDerWaalsContact C-N 3.33Å; S149-A151 PolarHBondContact O-N 3.25Å; A151-E154 PolarHBondContact O-N 3.44Å; A151-Y155 WeakPolarHBondContact O-CB 3.47Å; A151-Y155 PolarHBondContact O-N 3.49Å
152K83.1Confident78.5Confident70 Ų7095.2 Ų95.230%0.30447%0.473SS..Hα-helixtrans-62.3-49174-178.7-176.4174.6-162.50111.4L148 S149 E154 Y155 E156 L204 E208L148-K152 WeakPolarHBondContact O-CB 3.5Å; L148-K152 PolarHBondContact O-N 3.36Å; S149-K152 PolarHBondContact O-N 3.39Å; K152-E154 VanDerWaalsContact C-N 3.28Å; K152-E154 PolarHBondContact O-N 3.09Å; K152-Y155 PolarHBondContact O-N 3.36Å; K152-E156 VanDerWaalsContact CE-OE1 3.26Å; K152-E156 WeakPolarHBondContact CE-OE1 3.37Å; K152-E156 WeakPolarHBondContact O-CG 3.42Å; K152-E156 PolarHBondContact O-N 2.78Å; K152-L204 HydrophobicContact CD-CD1 3.97Å; K152-E208 IonicContact NZ-OE2 2.74Å; K152-E208 PolarHBondContact NZ-OE2 2.92Å
153D84.4Confident77.7Confident31 Ų3193.1 Ų93.117%0.16647%0.471CS..Hα-helixtrans-58.4-39.8178.5-76.2-12.3000111.9S149 R150 R157 H201S149-D153 PolarHBondContact O-N 2.83Å; R150-D153 PolarHBondContact O-N 3.06Å; D153-R157 VanDerWaalsContact O-CB 3.26Å; D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 PolarHBondContact O-N 2.93Å; D153-H201 IonicContact OD2-ND1 2.83Å
154E87Confident76.2Confident110 Ų11097.5 Ų97.551%0.51449%0.494SS..Hα-helixtrans-69.7-42.2178.4-172.2175179.300112.4R150 A151 K152 R157 N158R150-E154 WeakPolarHBondContact O-CB 3.3Å; R150-E154 PolarHBondContact O-N 2.82Å; A151-E154 PolarHBondContact O-N 3.44Å; K152-E154 VanDerWaalsContact C-N 3.28Å; K152-E154 PolarHBondContact O-N 3.09Å; E154-R157 PolarHBondContact O-N 2.92Å; E154-N158 PolarHBondContact O-N 2.74Å
155Y84.9Confident74.2Confident155 Ų15599.3 Ų99.361%0.60850%0.503SS*.Hα-helixtrans-60.5-46.4175179.1-96.6000111.7A151 K152 N158 Q159A151-Y155 WeakPolarHBondContact O-CB 3.47Å; A151-Y155 PolarHBondContact O-N 3.49Å; K152-Y155 PolarHBondContact O-N 3.36Å; Y155-N158 PolarHBondContact O-N 3.03Å; Y155-Q159 HydrophobicContact CD1-CG 4.4Å; Y155-Q159 HydrophobicContact CE1-CG 4.1Å; Y155-Q159 VanDerWaalsContact O-CG 3.22Å; Y155-Q159 WeakPolarHBondContact O-CG 3.35Å; Y155-Q159 PolarHBondContact O-N 3.07Å
156E83.5Confident72.3Confident87 Ų87102.6 Ų102.641%0.40753%0.53SS..Hα-helixtrans-65-40.7177.2-70.7-179-174.300111.6K152 N158 Q159 M160K152-E156 VanDerWaalsContact CE-OE1 3.26Å; K152-E156 WeakPolarHBondContact CE-OE1 3.37Å; K152-E156 WeakPolarHBondContact O-CG 3.42Å; K152-E156 PolarHBondContact O-N 2.78Å; E156-N158 VanDerWaalsContact C-N 3.32Å; E156-N158 PolarHBondContact O-N 3.23Å; E156-Q159 WeakPolarHBondContact O-CB 3.33Å; E156-Q159 PolarHBondContact O-N 3.37Å; E156-Q159 VanDerWaalsContact O-N 3.14Å; E156-M160 HydrophobicContact CB-CE 4.31Å; E156-M160 WeakPolarHBondContact O-CG 3.49Å; E156-M160 PolarHBondContact O-N 2.87Å
157R82.1Confident70.2Confident140 Ų140104 Ų10453%0.52855%0.549SS..Hα-helixtrans-61.6-38.4177.5-167.2-171.4-54.7123.46.7112.5D153 E154 Q159 M160 G161D153-R157 VanDerWaalsContact O-CB 3.26Å; D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 PolarHBondContact O-N 2.93Å; E154-R157 PolarHBondContact O-N 2.92Å; R157-Q159 VanDerWaalsContact C-N 3.31Å; R157-M160 PolarHBondContact O-N 2.58Å; R157-G161 PolarHBondContact O-N 2.92Å
158N71.6Confident68.4Low105 Ų105104.9 Ų104.956%0.56156%0.563SS**Hα-helixtrans-74-24177.9-72.410.7000112.4E154 Y155 E156E154-N158 PolarHBondContact O-N 2.74Å; Y155-N158 PolarHBondContact O-N 3.03Å; E156-N158 VanDerWaalsContact C-N 3.32Å; E156-N158 PolarHBondContact O-N 3.23Å
159Q67.1Low66.1Low139 Ų139105.1 Ų105.165%0.6558%0.58SS**Hα-helixtrans-73.9-23.6174.4-69.9-99.797.800113.4Y155 E156 R157Y155-Q159 HydrophobicContact CD1-CG 4.4Å; Y155-Q159 HydrophobicContact CE1-CG 4.1Å; Y155-Q159 VanDerWaalsContact O-CG 3.22Å; Y155-Q159 WeakPolarHBondContact O-CG 3.35Å; Y155-Q159 PolarHBondContact O-N 3.07Å; E156-Q159 WeakPolarHBondContact O-CB 3.33Å; E156-Q159 PolarHBondContact O-N 3.37Å; E156-Q159 VanDerWaalsContact O-N 3.14Å; R157-Q159 VanDerWaalsContact C-N 3.31Å
160M57.3Low64Low139 Ų139113.2 Ų113.269%0.68562%0.622SS**Hα-helixtrans-95.8-9.9175.819.6167131.200113.7E156 R157E156-M160 HydrophobicContact CB-CE 4.31Å; E156-M160 WeakPolarHBondContact O-CG 3.49Å; E156-M160 PolarHBondContact O-N 2.87Å; R157-M160 PolarHBondContact O-N 2.58Å
161G57.2Low61.9Low56 Ų56114.4 Ų114.458%0.57763%0.634SS**Hα-helixtrans-85.9-15.8-176.900000115.8R157 S163R157-G161 PolarHBondContact O-N 2.92Å; G161-S163 PolarHBondContact O-N 2.64Å; G161-S163 VanDerWaalsContact O-N 3.13Å
162D50.1Low59.6Low139 Ų139118 Ų11874%0.74365%0.653SS**  trans-90.470.5179.6-89.9-30.5000112.1
163S54.2Low57.2Low94 Ų94119.1 Ų119.166%0.65767%0.669SS**SBendtrans-135.36615650.50000109.9G161G161-S163 PolarHBondContact O-N 2.64Å; G161-S163 VanDerWaalsContact O-N 3.13Å
164N52.1Low54.9Low160 Ų160123.1 Ų123.186%0.85670%0.695SS**SBendtrans159.770.5145.4-87.7-57.5000111.6
165I45.3Very low52.5Low148 Ų148125.2 Ų125.276%0.75971%0.705SS**  trans-141.9120.4147-48177.6000107.9S167I165-S167 PolarHBondContact O-N 3.13Å
166S42.4Very low50Low117 Ų117125 Ų12582%0.81871%0.713SS**  trans-58.8118.9174.3-170.50000110.2
167S40.9Very low47.6Very low107 Ų107125.8 Ų125.875%0.74873%0.729SS**  trans-84.8135.5164.5-43.60000109.9I165I165-S167 PolarHBondContact O-N 3.13Å
168P49.1Very low45.1Very low128 Ų128126 Ų12683%0.83174%0.74SS**  trans-92.411215531.5-22.2000109.5
169G38.6Very low43.2Very low66 Ų66128.7 Ų128.768%0.6875%0.754SS**  trans83.1105.6147.800000117.7
170L41.2Very low41.3Very low177 Ų177125.2 Ų125.293%0.92776%0.755SS**  -172.8129.596.9-88.8166.5000108.5
171Q42.8Very low40Very low180 Ų180124 Ų12484%0.84176%0.76SS**PPolyproline II helixtrans-76.9147.9-171.4-61.6-119.5-52.200112.8
172P36Very low38.6Very low131 Ų131126.6 Ų126.685%0.85177%0.765SS**PPolyproline II helixtrans-97.9121.9148.213.74.8000109.5
173S34.1Very low37.7Very low92 Ų92128.3 Ų128.364%0.64377%0.768SS**PPolyproline II helixtrans-102142.4173.3-164.20000111
174T35.6Very low36.3Very low115 Ų115130.5 Ų130.571%0.70678%0.778SS**  trans70.5136.5159.4590000119
175Q36.3Very low35.4Very low154 Ų154130.2 Ų130.272%0.7278%0.776SS**  cis-177.8156.9-7.7-116-167.526.300108
176L32.8Very low34.6Very low150 Ų150131.3 Ų131.379%0.78578%0.778SS**  trans72.1135.6152.9-66.5154.6000117.1
177S32.1Very low34Very low105 Ų105133.6 Ų133.673%0.73478%0.775SS**  cis-168.3134.615.448.80000111.8
178N29.8Very low33.5Very low145 Ų145135.8 Ų135.878%0.77578%0.776SS**  trans60.6123.4131.4-11114.6000125.2
179L32.6Very low32.8Very low161 Ų161135 Ų13584%0.84377%0.77SS**  92117.3121.5-123.483000121
180G26.4Very low32.3Very low65 Ų65137.2 Ų137.267%0.6778%0.776SS**  trans148.890.5143.300000116.3
181S30.4Very low31.6Very low115 Ų115132.6 Ų132.680%0.80477%0.771SS**  trans49140.4134.6-49.60000119.9
182T28.5Very low30.9Very low110 Ų110129.6 Ų129.668%0.67577%0.77SS**  cis-177.7140.79.4130000105.4
183E31.2Very low30.6Very low174 Ų174133 Ų13381%0.81378%0.775SS**  trans41.1124.4136.5-50.3177.8134.400118.2
184T25Very low30.3Very low141 Ų141135.5 Ų135.587%0.86578%0.781SS**  -165.8140.773.833.80000113
185L32.5Very low29.9Very low153 Ų153138.4 Ų138.480%0.80178%0.784SS**  trans-79.9143.8163.7-167.1154.2000108.5
186E28.9Very low29.5Very low171 Ų171136.3 Ų136.380%0.79979%0.786SS**  trans-178.3105.4146-77.4-121.6140.100106.8
187E29.3Very low29.5Very low165 Ų165133.9 Ų133.977%0.77179%0.787SS**  83.711987.1-157.7168.6144.500112.9
188M29.3Very low29.5Very low153 Ų153134.5 Ų134.575%0.75479%0.789SS**  trans-69.8159.5173.6-103-82.198.700110.6
189P34.4Very low30.2Very low111 Ų111132.4 Ų132.472%0.72179%0.786SS**  -142.4154.3100.828.2-8.8000116.1
190S28.6Very low30.3Very low113 Ų113127.7 Ų127.779%0.7978%0.776SS**  trans-26140.9165.952.40000118.9
191G26.3Very low31.3Very low80 Ų80130.9 Ų130.983%0.82577%0.773SS**  trans-161.6103.815800000111
192S29Very low32.7Very low118 Ų118133.7 Ų133.783%0.82577%0.771SS**  trans-58.3138.3177.250.30000113.6
193Q30.5Very low34.4Very low203 Ų203133.3 Ų133.395%0.94976%0.761SS**  trans-156.2152.6141-113.7176.2300113.3
194D25.8Very low36.4Very low144 Ų144125.9 Ų125.977%0.7773%0.727SS**  trans-79.8168.3-156.8-148.6-14.8000114.5
195K28.5Very low38.9Very low176 Ų176121.8 Ų121.877%0.76570%0.702SS**  trans78.498.4158.2-71.7172.7172.4175.20121.7
196S28.3Very low40.8Very low109 Ų109118.4 Ų118.476%0.76269%0.687SS**  26.8118.6127.962.30000122.2
197A32.3Very low43Very low99 Ų99116.8 Ų116.882%0.81868%0.68SS**  trans82.4146.9151.400000119
198P32.5Very low45.2Very low119 Ų119114.1 Ų114.177%0.77367%0.667SS**  cis-120.3165.97.537.7-21.6000114.5G200P198-G200 VanDerWaalsContact C-N 3.27Å; P198-G200 PolarHBondContact O-N 2.86Å
199S43.9Very low47.4Very low101 Ų101111.2 Ų111.271%0.70666%0.655SS**  trans-63.284.5167.4175.40000110.1H201S199-H201 PolarHBondContact O-N 3.11Å
200G33.8Very low49.5Very low62 Ų62112.8 Ų112.864%0.63965%0.65SS**  trans-78.993.4174.800000109.8P198 K202P198-G200 VanDerWaalsContact C-N 3.27Å; P198-G200 PolarHBondContact O-N 2.86Å; G200-K202 PolarHBondContact O-N 3.13Å
201H48.6Very low51.4Low131 Ų131110.4 Ų110.461%0.60664%0.644SS**  trans-54.9124.4164.2-67.1-92.6000108.1D153 S199 H203D153-H201 IonicContact OD2-ND1 2.83Å; S199-H201 PolarHBondContact O-N 3.11Å; H201-H203 PolarHBondContact O-N 3.09Å; H201-H203 VanDerWaalsContact O-N 3.1Å
202K59.6Low52.6Low174 Ų174110.5 Ų110.576%0.75763%0.629SS**  trans-72.3107.3-178.8-66-178-176.6177.80107.8G200 L204G200-K202 PolarHBondContact O-N 3.13Å; K202-L204 PolarHBondContact O-N 3.06Å
203H63.2Low53.4Low102 Ų102110.4 Ų110.447%0.47263%0.628SS.*PPolyproline II helixtrans-68.5120178.9-168.7-102000109.7H201 T205H201-H203 PolarHBondContact O-N 3.09Å; H201-H203 VanDerWaalsContact O-N 3.1Å; H203-T205 PolarHBondContact O-N 2.81Å
204L74.3Confident53.8Low18 Ų18108 Ų1089%0.09462%0.62CS.*PPolyproline II helixtrans-55.2123173.7-178.868.5000108.7L145 L148 S149 K152 K202 E208L145-L204 WeakPolarHBondContact CD2-O 3.33Å; L148-L204 HydrophobicContact CB-CD2 3.48Å; L148-L204 VanDerWaalsContact CB-CD2 3.48Å; L148-L204 HydrophobicContact CD1-CD2 4.34Å; S149-L204 WeakPolarHBondContact OG-CB 3.47Å; S149-L204 PolarHBondContact OG-N 3.38Å; K152-L204 HydrophobicContact CD-CD1 3.97Å; K202-L204 PolarHBondContact O-N 3.06Å; L204-E208 HydrophobicContact CD1-CB 3.76Å; L204-E208 VanDerWaalsContact CD1-OE2 3.31Å; L204-E208 WeakPolarHBondContact CD1-OE2 3.49Å
205T77.3Confident54.4Low55 Ų55106.9 Ų106.934%0.33762%0.621SS.*PPolyproline II helixtrans-86.1155.2178.867.80000110.6H203 E207 E208 L209H203-T205 PolarHBondContact O-N 2.81Å; T205-E207 PolarHBondContact O-N 3.04Å; T205-E208 PolarHBondContact O-N 2.85Å; T205-E208 VanDerWaalsContact O-N 3.16Å; T205-E208 WeakPolarHBondContact OG1-CG 3.49Å; T205-E208 PolarHBondContact OG1-N 2.82Å; T205-E208 VanDerWaalsContact OG1-N 3.17Å; T205-L209 PolarHBondContact O-N 2.95Å
206V72.5Confident54.7Low83 Ų83107.7 Ų107.750%0.50363%0.625SS.*Hα-helixtrans-58.8-34.7173.4-179.20000110.4L145 L209 F210L145-V206 HydrophobicContact CD2-CG2 3.98Å; V206-L209 PolarHBondContact O-N 2.82Å; V206-F210 HydrophobicContact CG1-CD2 3.57Å; V206-F210 HydrophobicContact CG1-CE2 3.84Å; V206-F210 VanDerWaalsContact O-CD2 3.3Å; V206-F210 WeakPolarHBondContact O-CD2 3.47Å; V206-F210 PolarHBondContact O-N 2.84Å
207E75Confident54.7Low136 Ų136111.6 Ų111.664%0.63663%0.631SS**Hα-helixtrans-65.1-38.7177.7-62.3169.8172.400112.1T205 L209 G211T205-E207 PolarHBondContact O-N 3.04Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-G211 WeakPolarHBondContact O-CA 3.27Å; E207-G211 PolarHBondContact O-N 2.8Å
208E74.6Confident54.6Low110 Ų110114.7 Ų114.751%0.51463%0.629SS.*Hα-helixtrans-67-32173.6-76.8-178.3-168.100112.3K152 L204 T205K152-E208 IonicContact NZ-OE2 2.74Å; K152-E208 PolarHBondContact NZ-OE2 2.92Å; L204-E208 HydrophobicContact CD1-CB 3.76Å; L204-E208 VanDerWaalsContact CD1-OE2 3.31Å; L204-E208 WeakPolarHBondContact CD1-OE2 3.49Å; T205-E208 PolarHBondContact O-N 2.85Å; T205-E208 VanDerWaalsContact O-N 3.16Å; T205-E208 WeakPolarHBondContact OG1-CG 3.49Å; T205-E208 PolarHBondContact OG1-N 2.82Å; T205-E208 VanDerWaalsContact OG1-N 3.17Å
209L76.7Confident55Low92 Ų92114.6 Ų114.648%0.48263%0.628SS.*Hα-helixtrans-75.3-41.1178.5-176.563.5000112.7L148 T205 V206 E207L148-L209 HydrophobicContact CD1-CD1 4.48Å; L148-L209 HydrophobicContact CD1-CD2 4.38Å; T205-L209 PolarHBondContact O-N 2.95Å; V206-L209 PolarHBondContact O-N 2.82Å; E207-L209 VanDerWaalsContact C-N 3.31Å
210F79.2Confident54.2Low143 Ų143114.2 Ų114.263%0.62763%0.63SS**Hα-helixtrans-97.6-5.7-175.8-70-80.5000113.7V206 T212V206-F210 HydrophobicContact CG1-CD2 3.57Å; V206-F210 HydrophobicContact CG1-CE2 3.84Å; V206-F210 VanDerWaalsContact O-CD2 3.3Å; V206-F210 WeakPolarHBondContact O-CD2 3.47Å; V206-F210 PolarHBondContact O-N 2.84Å; F210-T212 PolarHBondContact O-N 2.83Å
211G67.6Low54.3Low64 Ų64117.9 Ų117.966%0.6664%0.64SS**  trans65.616.4173.200000115E207 S213E207-G211 WeakPolarHBondContact O-CA 3.27Å; E207-G211 PolarHBondContact O-N 2.8Å; G211-S213 PolarHBondContact O-N 3.28Å
212T52.2Low53.4Low82 Ų82118.3 Ų118.350%0.50365%0.652SS.*  trans-97.889.9-178.360.30000110.6F210 L214F210-T212 PolarHBondContact O-N 2.83Å; T212-L214 PolarHBondContact O-N 3.31Å; T212-L214 VanDerWaalsContact O-N 3.14Å
213S45Very low52Low116 Ų116112.7 Ų112.781%0.81164%0.644SS**  trans-74.995.4162.352.70000109G211G211-S213 PolarHBondContact O-N 3.28Å
214L40.1Very low50.5Low151 Ų151116.5 Ų116.579%0.79167%0.666SS**  trans-99.2116.9169.6-103159.5000109T212 K216T212-L214 PolarHBondContact O-N 3.31Å; T212-L214 VanDerWaalsContact O-N 3.14Å; L214-K216 PolarHBondContact O-N 2.73Å
215P37.7Very low48.4Very low121 Ų121121.6 Ų121.679%0.78669%0.694SS**  trans-63.3129173.5-17.630.2000110.3E217P215-E217 PolarHBondContact O-N 3.01Å
216K34.1Very low46.3Very low194 Ų194124.8 Ų124.884%0.84372%0.719SS**  trans-72.7111.2173-178.3152.3-177.3164.60110L214L214-K216 PolarHBondContact O-N 2.73Å
217E29Very low44.4Very low190 Ų190129.2 Ų129.289%0.88873%0.734SS**  trans-120.8124.4156.4-116-169.4129.400109.6P215P215-E217 PolarHBondContact O-N 3.01Å
218Q30Very low42.2Very low165 Ų165131.5 Ų131.577%0.77174%0.744SS**  trans-118.7148.3157.2-106.4-171.8-3.500104.7
219P40.3Very low40Very low117 Ų117133 Ų13376%0.7675%0.753SS**  -155.5177.268.537.8-15.8000117.9
220A28.1Very low37.8Very low92 Ų92133.5 Ų133.576%0.7675%0.753SS**  trans100.3100.9146.700000120.3
221V35.8Very low35.5Very low139 Ų139136.3 Ų136.384%0.84276%0.759SS**  trans-8.6126.4136.5179.50000116.5
222V29.7Very low33.9Very low140 Ų140141 Ų14185%0.84877%0.769SS**  trans-154.3123.1132.2179.90000107.7
223G29.2Very low33.3Very low57 Ų57143.4 Ų143.459%0.58879%0.785SS**  trans-85.1168.8169.800000112.1
224L32.2Very low32.5Very low181 Ų181141.6 Ų141.695%0.94879%0.785SS**  -176.5141129.7-96.3166.6000110.2
225D30.8Very low31.9Very low125 Ų125142 Ų14267%0.66879%0.788SS**  trans-69.1155.2173.9-164.9-93.9000111.7
226S32.6Very low31.6Very low123 Ų123140.2 Ų140.286%0.8678%0.783SS**  trans-163.5103.5151.9-102.60000111.3
227E33.3Very low31.6Very low175 Ų175135.6 Ų135.682%0.81878%0.776SS**  trans-61142.3149.4-59.5-177.587.600112
228E27.8Very low31.7Very low184 Ų184135.3 Ų135.386%0.8677%0.774SS**  trans-173.6110.4143.3-146.9174.5112.200107.5
229M28.9Very low31.9Very low141 Ų141137.1 Ų137.170%0.69578%0.78SS**  68104.667.3-172.147.1177.800112.3
230E30.4Very low32Very low103 Ų103140.2 Ų140.248%0.48178%0.784SS.*  153.8121.7125.6-78.5-102.5108.800117.5
231R31.6Very low32.6Very low202 Ų202140.3 Ų140.376%0.76278%0.777SS**  trans65.5117.5130.9-67.5-172.8178.31279.1122.9
232L32.8Very low32.5Very low164 Ų164141.8 Ų141.886%0.85978%0.78SS**  trans-66.5165.8148.4-63163.2000111.1
233P39Very low32.7Very low131 Ų131140 Ų14085%0.85177%0.774SS**  -152.5162.187.236.6-16.8000117.6
234G28.3Very low33.1Very low79 Ų79147.1 Ų147.181%0.81479%0.789SS**  trans98139.9152.400000116
235D27.8Very low33.6Very low159 Ų159145.9 Ų145.985%0.8578%0.782SS**  cis-168.5157.1-4.6-169.4-6.8000107
236A31.2Very low33.9Very low83 Ų83145.6 Ų145.669%0.68679%0.787SS**  trans71.4106.9150.100000121.8
237S33.8Very low34.2Very low97 Ų97149.3 Ų149.368%0.67879%0.788SS**  120.2104.3110.2-146.80000118.3
238Q32.4Very low34.7Very low184 Ų184146.8 Ų146.886%0.8679%0.787SS**  trans54.7114.8132.5-58.6-170.5-45.800119.7
239K34Very low35.1Very low204 Ų204147.5 Ų147.589%0.88779%0.788SS**  161.9121.785.2-165.5167.8-179.6-179.90110.8
240E41.6Very low35.7Very low181 Ų181149.8 Ų149.885%0.84680%0.797SS**  trans-35.3168.1171.8-77.6-90.8106.400119.5
241P41.3Very low36Very low95 Ų95153.3 Ų153.362%0.61781%0.813SS**  trans-96.6153.5-151.138-33.5000114.3S243P241-S243 PolarHBondContact O-N 3.25Å
242N32.9Very low36.4Very low169 Ų169152.3 Ų152.390%0.90482%0.822SS**  trans-80.1101.2170.6-88-13.3000110.7
243S35.6Very low36.4Very low102 Ų102147.8 Ų147.871%0.71382%0.815SS**PPolyproline II helixtrans-80.1134.3161.745.60000110.6P241P241-S243 PolarHBondContact O-N 3.25Å
244F36.6Very low36.3Very low207 Ų207145.3 Ų145.391%0.90881%0.813SS**PPolyproline II helixtrans-63.4130.2172.1-77.9-102000110.6
245L43.6Very low37.3Very low155 Ų155146.2 Ų146.281%0.81281%0.813SS**PPolyproline II helixtrans-103141.8164.4-69.6177000109.9
246P37Very low38.6Very low119 Ų119144.6 Ų144.677%0.77381%0.811SS**PPolyproline II helixtrans-86.4142.1172.534.3-30.9000111.3
247F37.9Very low39.3Very low201 Ų201150 Ų15088%0.88282%0.822SS**PPolyproline II helixtrans-68.3145175.8-70.8-88000112.2
248P43.3Very low39.8Very low122 Ų122151 Ų15179%0.79283%0.829SS**PPolyproline II helixtrans-85.213417126.2-17.2000111.6
249F36.8Very low40.4Very low200 Ų200151.1 Ų151.188%0.87783%0.83SS**PPolyproline II helixtrans-84.2118.2175.2-176.8-96.4000109.6
250E41.6Very low41.2Very low188 Ų188151.8 Ų151.888%0.87985%0.851SS**PPolyproline II helixtrans-83.8140.7169.5-85.1-156.7116.500111.7
251Q37.4Very low41.2Very low178 Ų178150.4 Ų150.483%0.83285%0.852SS**PPolyproline II helixtrans-92.7126.3-172.7177.9164.6-25.100110.8
252L38.9Very low41.2Very low180 Ų180153.3 Ų153.394%0.94286%0.864SS**  trans-112.8110.8162.7-161.177.3000109.2
253G33.6Very low41.7Very low69 Ų69152.4 Ų152.471%0.71186%0.862SS**  trans-81.4146.6174.900000112.7
254G35.9Very low42Very low79 Ų79155.4 Ų155.481%0.81487%0.871SS**  trans-157.5106.616500000108.9
255A50.8Low42.4Very low98 Ų98152.1 Ų152.181%0.8187%0.868SS**PPolyproline II helixtrans-72152178.800000111.9
256P54.7Low42.3Very low125 Ų125151.9 Ų151.981%0.81287%0.872SS**PPolyproline II helixtrans-89.3128.4163.232.3-26.6000110.5
257Q45.6Very low42.7Very low196 Ų196154.3 Ų154.392%0.91688%0.879SS**PPolyproline II helixtrans-78.5135160.4-73.5-157.7-2300109.6
258S45.3Very low43Very low118 Ų118150.7 Ų150.783%0.82588%0.879SS**PPolyproline II helixtrans-82.8130.1170.838.10000110.8
259E45.1Very low43Very low187 Ų187153.1 Ų153.187%0.87489%0.886SS**  trans-120.4127.4162.2-92.8-173.699.500109.9
260T50.3Low43.6Very low219 Ų219148.8 Ų148.8100%1.34489%0.887SS**  trans65.60166.525.90000120.4

Retrieved 260 of 260 residues in 100.3 ms (Link to these results)

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