A0A5K4FDI5_SCHMA Loading...

Ephrin RBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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
1M53.8Low64.2Low217 Ų217118.4 Ų118.4100%1.06961%0.605SS**  0-47.60-101.9171125.500113.3K3 T4M1-K3 PolarHBondContact O-N 3.35Å; M1-T4 PolarHBondContact O-N 3.48Å
2Q52.9Low64.8Low175 Ų175116.7 Ų116.782%0.81860%0.596SS**Hα-helixtrans-57.9-37.4-179.7-90174.2-2400115.7T4 C5 L6Q2-T4 PolarHBondContact O-N 2.93Å; Q2-C5 PolarHBondContact O-N 2.82Å; Q2-L6 PolarHBondContact O-N 3.41Å
3K56.2Low65Low184 Ų184114.3 Ų114.380%0.858%0.584SS**Hα-helixtrans-66.6-33.5-177.2-68.7-173.2176.4-175.90113.9M1 M7M1-K3 PolarHBondContact O-N 3.35Å; K3-M7 PolarHBondContact O-N 2.75Å
4T61.8Low64.7Low91 Ų91112.7 Ų112.756%0.55858%0.577SS**Hα-helixtrans-72.5-42.4-179.7-26.30000110.7M1 Q2 L6 M7 E8M1-T4 PolarHBondContact O-N 3.48Å; Q2-T4 PolarHBondContact O-N 2.93Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 3.21Å; T4-M7 PolarHBondContact O-N 2.74Å; T4-E8 PolarHBondContact O-N 2.89Å; T4-E8 VanDerWaalsContact O-N 3.08Å
5C63.3Low64.5Low67 Ų67111.6 Ų111.645%0.45357%0.571SS.*Hα-helixtrans-63.3-39.4179-159.30000112.1Q2 E8 I9Q2-C5 PolarHBondContact O-N 2.82Å; C5-E8 PolarHBondContact O-N 3.31Å; C5-I9 VanDerWaalsContact O-CG1 3.28Å; C5-I9 WeakPolarHBondContact O-CG1 3.46Å; C5-I9 PolarHBondContact O-N 3.39Å
6L68.3Low64.1Low119 Ų119113.8 Ų113.862%0.62358%0.575SS**Hα-helixtrans-68.5-36.3-180-135144.5000112.4Q2 T4 T10Q2-L6 PolarHBondContact O-N 3.41Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 3.21Å; L6-T10 WeakPolarHBondContact O-CB 3.35Å; L6-T10 PolarHBondContact O-N 3.36Å; L6-T10 PolarHBondContact O-OG1 2.74Å
7M65Low63.6Low131 Ų131112.1 Ų112.165%0.64556%0.563SS**Hα-helixtrans-66.9-44.4173.2-74.5-74.3-71.700111.4K3 T4 T10 V11K3-M7 PolarHBondContact O-N 2.75Å; T4-M7 PolarHBondContact O-N 2.74Å; M7-T10 PolarHBondContact O-N 3.06Å; M7-V11 VanDerWaalsContact O-CG2 3.3Å; M7-V11 WeakPolarHBondContact O-CG2 3.28Å; M7-V11 PolarHBondContact O-N 3.06Å
8E66.6Low63.1Low117 Ų117112.2 Ų112.255%0.54757%0.571SS.*Hα-helixtrans-61.9-44.2177.6-74.7178176.900112T4 C5 T10 V11 I12T4-E8 PolarHBondContact O-N 2.89Å; T4-E8 VanDerWaalsContact O-N 3.08Å; C5-E8 PolarHBondContact O-N 3.31Å; E8-T10 VanDerWaalsContact C-N 3.34Å; E8-T10 PolarHBondContact O-N 3.16Å; E8-V11 PolarHBondContact O-N 3.18Å; E8-I12 WeakPolarHBondContact O-CB 3.43Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 3.25Å
9I73.8Confident62.5Low90 Ų90110.4 Ų110.446%0.46257%0.57SS.*Hα-helixtrans-61.8-43.5175.9-67.7166000110.6C5 V11 I12 I13C5-I9 VanDerWaalsContact O-CG1 3.28Å; C5-I9 WeakPolarHBondContact O-CG1 3.46Å; C5-I9 PolarHBondContact O-N 3.39Å; I9-V11 PolarHBondContact O-N 3.33Å; I9-I12 PolarHBondContact O-N 2.7Å; I9-I13 HydrophobicContact CG2-CD1 3.69Å; I9-I13 HydrophobicContact CG2-CG1 4.36Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.32Å
10T71.4Confident62.3Low41 Ų41108.1 Ų108.125%0.25257%0.567SS.*Hα-helixtrans-63.2-42.8178.8-51.90000111.1L6 M7 E8 I13 L14 F225L6-T10 WeakPolarHBondContact O-CB 3.35Å; L6-T10 PolarHBondContact O-N 3.36Å; L6-T10 PolarHBondContact O-OG1 2.74Å; M7-T10 PolarHBondContact O-N 3.06Å; E8-T10 VanDerWaalsContact C-N 3.34Å; E8-T10 PolarHBondContact O-N 3.16Å; T10-I13 PolarHBondContact O-N 3.22Å; T10-L14 HydrophobicContact CG2-CD1 4.1Å; T10-L14 WeakPolarHBondContact O-CB 3.44Å; T10-L14 VanDerWaalsContact O-CG 3.26Å; T10-L14 WeakPolarHBondContact O-CG 3.29Å; T10-L14 PolarHBondContact O-N 3.45Å; T10-F225 HydrophobicContact CG2-CZ 4.44Å
11V73.4Confident62.5Low70 Ų70111.9 Ų111.942%0.42458%0.582SS.*Hα-helixtrans-66.4-42177.2171.50000111.2M7 E8 I9 I13 L14 I15M7-V11 VanDerWaalsContact O-CG2 3.3Å; M7-V11 WeakPolarHBondContact O-CG2 3.28Å; M7-V11 PolarHBondContact O-N 3.06Å; E8-V11 PolarHBondContact O-N 3.18Å; I9-V11 PolarHBondContact O-N 3.33Å; V11-I13 VanDerWaalsContact C-N 3.34Å; V11-I13 PolarHBondContact O-N 3.36Å; V11-L14 PolarHBondContact O-N 3.14Å; V11-I15 HydrophobicContact CG1-CD1 3.61Å; V11-I15 HydrophobicContact CG1-CG1 4.24Å; V11-I15 WeakPolarHBondContact O-CB 3.23Å; V11-I15 WeakPolarHBondContact O-CG1 3.4Å; V11-I15 PolarHBondContact O-N 3.46Å
12I70.8Confident63.7Low98 Ų98105.7 Ų105.750%0.50355%0.553SS.*Hα-helixtrans-63.8-41.2176.3-69.1165.1000111E8 I9 I15 K16E8-I12 WeakPolarHBondContact O-CB 3.43Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 3.25Å; I9-I12 PolarHBondContact O-N 2.7Å; I12-I15 PolarHBondContact O-N 2.9Å; I12-K16 WeakPolarHBondContact O-CB 3.25Å; I12-K16 WeakPolarHBondContact O-CG 3.35Å; I12-K16 PolarHBondContact O-N 2.84Å
13I67.4Low65.3Low86 Ų86103 Ų10344%0.44154%0.54SS..Hα-helixtrans-62.7-49.1174.6-69.1168.5000109.5I9 T10 V11 I15 K16 F17I9-I13 HydrophobicContact CG2-CD1 3.69Å; I9-I13 HydrophobicContact CG2-CG1 4.36Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.32Å; T10-I13 PolarHBondContact O-N 3.22Å; V11-I13 VanDerWaalsContact C-N 3.34Å; V11-I13 PolarHBondContact O-N 3.36Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 3.25Å; I13-K16 PolarHBondContact O-N 2.85Å; I13-F17 HydrophobicContact CG2-CD2 3.75Å; I13-F17 HydrophobicContact CG2-CE2 3.65Å; I13-F17 WeakPolarHBondContact O-CB 3.27Å; I13-F17 WeakPolarHBondContact O-CD2 3.5Å; I13-F17 PolarHBondContact O-N 3.11Å
14L61.5Low67Low92 Ų9298.6 Ų98.648%0.48253%0.526SS..Hα-helixtrans-59-44.8177.7-73.5167.8000111.9T10 V11 K16 F17 T18T10-L14 HydrophobicContact CG2-CD1 4.1Å; T10-L14 WeakPolarHBondContact O-CB 3.44Å; T10-L14 VanDerWaalsContact O-CG 3.26Å; T10-L14 WeakPolarHBondContact O-CG 3.29Å; T10-L14 PolarHBondContact O-N 3.45Å; V11-L14 PolarHBondContact O-N 3.14Å; L14-K16 PolarHBondContact O-N 3.36Å; L14-F17 PolarHBondContact O-N 3.23Å; L14-F17 VanDerWaalsContact O-N 3.14Å; L14-T18 WeakPolarHBondContact O-CG2 3.28Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-T18 PolarHBondContact O-OG1 2.96Å; L14-T18 VanDerWaalsContact O-OG1 3.1Å
15I61.7Low68.4Low96 Ų9695.1 Ų95.149%0.49250%0.503SS..Hα-helixtrans-60.8-47.7177.1-69.6167.7000110.5V11 I12 I13 F17 T18 S19V11-I15 HydrophobicContact CG1-CD1 3.61Å; V11-I15 HydrophobicContact CG1-CG1 4.24Å; V11-I15 WeakPolarHBondContact O-CB 3.23Å; V11-I15 WeakPolarHBondContact O-CG1 3.4Å; V11-I15 PolarHBondContact O-N 3.46Å; I12-I15 PolarHBondContact O-N 2.9Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 3.25Å; I15-F17 PolarHBondContact O-N 3.18Å; I15-T18 WeakPolarHBondContact CA-OG1 3.35Å; I15-T18 CarbonylContact O-C 3.48Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.11Å; I15-T18 PolarHBondContact O-OG1 3.24Å; I15-S19 VanDerWaalsContact O-CB 3.23Å; I15-S19 WeakPolarHBondContact O-CB 3.17Å; I15-S19 PolarHBondContact O-N 2.93Å; I15-S19 PolarHBondContact O-OG 3.02Å
16K58.2Low69.7Low147 Ų14797.1 Ų97.164%0.63951%0.508SS*.Hα-helixtrans-63.7-27.5176.4-79.5-165.6174-1680113.4I12 I13 L14I12-K16 WeakPolarHBondContact O-CB 3.25Å; I12-K16 WeakPolarHBondContact O-CG 3.35Å; I12-K16 PolarHBondContact O-N 2.84Å; I13-K16 PolarHBondContact O-N 2.85Å; L14-K16 PolarHBondContact O-N 3.36Å
17F55.4Low70.8Confident84 Ų8491.4 Ų91.437%0.36848%0.478SS..Hα-helixtrans-78.6-30.6174.1-88.6-112.7000112.2I13 L14 I15 R214I13-F17 HydrophobicContact CG2-CD2 3.75Å; I13-F17 HydrophobicContact CG2-CE2 3.65Å; I13-F17 WeakPolarHBondContact O-CB 3.27Å; I13-F17 WeakPolarHBondContact O-CD2 3.5Å; I13-F17 PolarHBondContact O-N 3.11Å; L14-F17 PolarHBondContact O-N 3.23Å; L14-F17 VanDerWaalsContact O-N 3.14Å; I15-F17 PolarHBondContact O-N 3.18Å; F17-R214 HydrophobicContact CD1-CG 4.32Å; F17-R214 VanDerWaalsContact CD2-NH2 3.32Å; F17-R214 HydrophobicContact CE1-CG 3.39Å; F17-R214 VanDerWaalsContact CG-NH2 3.26Å; F17-R214 HydrophobicContact CZ-CG 3.91Å
18T54.2Low71.9Confident115 Ų11588.2 Ų88.271%0.70646%0.463SS*.Hα-helixtrans-86.6-16.717654.50000114L14 I15 A20L14-T18 WeakPolarHBondContact O-CG2 3.28Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-T18 PolarHBondContact O-OG1 2.96Å; L14-T18 VanDerWaalsContact O-OG1 3.1Å; I15-T18 WeakPolarHBondContact CA-OG1 3.35Å; I15-T18 CarbonylContact O-C 3.48Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.11Å; I15-T18 PolarHBondContact O-OG1 3.24Å; T18-A20 VanDerWaalsContact C-N 3.33Å; T18-A20 PolarHBondContact O-N 3.2Å
19S51.6Low73Confident78 Ų7882.6 Ų82.655%0.54544%0.437SS..  trans-9118.7-174.378.80000114.4I15 E21I15-S19 VanDerWaalsContact O-CB 3.23Å; I15-S19 WeakPolarHBondContact O-CB 3.17Å; I15-S19 PolarHBondContact O-N 2.93Å; I15-S19 PolarHBondContact O-OG 3.02Å; S19-E21 PolarHBondContact O-N 3.42Å
20A59.6Low73.6Confident63 Ų6379.8 Ų79.852%0.52142%0.423SS..  trans-67.4115166.800000107.5T18 L22T18-A20 VanDerWaalsContact C-N 3.33Å; T18-A20 PolarHBondContact O-N 3.2Å; A20-L22 VanDerWaalsContact C-N 3.3Å; A20-L22 HydrophobicContact CB-CD2 4.26Å; A20-L22 PolarHBondContact O-N 3.06Å
21E65.2Low74.1Confident189 Ų18979.2 Ų79.288%0.88342%0.422SS*.  trans-7289.3176.1-170.5172.6-174.200107.9S19S19-E21 PolarHBondContact O-N 3.42Å
22L80.1Confident74.5Confident86 Ų8678.5 Ų78.545%0.4542%0.421SS..  trans-75.2132.4177.8-58.7179.8000109.2A20A20-L22 VanDerWaalsContact C-N 3.3Å; A20-L22 HydrophobicContact CB-CD2 4.26Å; A20-L22 PolarHBondContact O-N 3.06Å
23Q85.9Confident75.2Confident119 Ų11974.4 Ų74.456%0.55640%0.4SS*.  trans-104.2139.1-179.4-163.617514.100111.9D49 N50Q23-D49 PolarHBondContact N-OD1 3.45Å; Q23-D49 WeakPolarHBondContact O-CA 3.06Å; Q23-D49 VanDerWaalsContact O-CB 3.31Å; Q23-D49 WeakPolarHBondContact O-CB 3.33Å; Q23-N50 PolarHBondContact O-N 3.15Å
24D90.8Very high76.1Confident92 Ų9276.1 Ų76.149%0.49240%0.401SS..EExtended strand (participates in β ladder)trans-94.2114.7171.6-68.8-16.7000110.4N50 I52D24-N50 WeakPolarHBondContact OD1-CB 3.2Å; D24-N50 PolarHBondContact OD1-ND2 3.44Å; D24-I52 HydrophobicContact CB-CD1 4.07Å
25H91.6Very high77.3Confident18 Ų1874.1 Ų74.18%0.08339%0.387CS..EExtended strand (participates in β ladder)trans-95.495.2176.1-59.5-90.2000109.7I27 D49 N50 L51 I52H25-I27 WeakPolarHBondContact O-CD1 3.15Å; H25-D49 IonicContact CD2-OD2 3.66Å; H25-D49 IonicContact CE1-OD2 3.94Å; H25-D49 IonicContact NE2-OD2 2.85Å; H25-D49 PolarHBondContact NE2-OD2 3.26Å; H25-N50 PolarHBondContact N-O 2.58Å; H25-L51 HydrophobicContact CB-CD2 3.81Å; H25-I52 PolarHBondContact O-N 3.46Å
26I90.5Very high78.5Confident108 Ų10869.7 Ų69.755%0.55436%0.364SS*.EExtended strand (participates in β ladder)trans-82.1120179.5-55.1173.5000110I52 I54I26-I52 HydrophobicContact CG1-CB 4.41Å; I26-I52 HydrophobicContact CG1-CD1 4.34Å; I26-I54 HydrophobicContact CG2-CD1 3.67Å; I26-I54 HydrophobicContact CG2-CG1 4.41Å
27I91.3Very high79.7Confident0 Ų069.7 Ų69.70%036%0.364CS..EExtended strand (participates in β ladder)trans-115.2106.3176.7-56.4113.9000108.8H25 W29 F36 I43 L51 I52 F53 I54 L138H25-I27 WeakPolarHBondContact O-CD1 3.15Å; I27-W29 HydrophobicContact CG2-CE3 4.03Å; I27-W29 PolarHBondContact O-N 3.45Å; I27-F36 HydrophobicContact CG2-CZ 4.21Å; I27-I43 HydrophobicContact CD1-CD1 4.03Å; I27-I43 HydrophobicContact CG1-CD1 3.87Å; I27-L51 HydrophobicContact CD1-CB 4.41Å; I27-I52 PolarHBondContact N-O 3.13Å; I27-F53 HydrophobicContact CB-CD1 4.04Å; I27-F53 HydrophobicContact CB-CE1 4.29Å; I27-F53 HydrophobicContact CD1-CD1 4.27Å; I27-F53 HydrophobicContact CD1-CE1 3.94Å; I27-F53 HydrophobicContact CD1-CE2 4.47Å; I27-F53 HydrophobicContact CD1-CZ 4.05Å; I27-F53 HydrophobicContact CG1-CE1 4.5Å; I27-F53 HydrophobicContact CG2-CD1 4.15Å; I27-F53 HydrophobicContact CG2-CE1 4.31Å; I27-F53 WeakPolarHBondContact O-CA 3.41Å; I27-I54 PolarHBondContact O-N 3.01Å; I27-L138 HydrophobicContact CD1-CD2 4.11Å; I27-L138 HydrophobicContact CG1-CD2 4.17Å
28L89.3Confident80.9Confident63 Ų6371 Ų7133%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-65.5108.4164.1-175.669.3000107.9D30 N33 I54 P56L28-D30 HydrophobicContact CD2-CB 4.33Å; L28-D30 HydrophobicContact CG-CB 4.13Å; L28-D30 PolarHBondContact O-N 2.84Å; L28-N33 HydrophobicContact CB-CB 4.38Å; L28-N33 PolarHBondContact N-ND2 3.17Å; L28-N33 WeakPolarHBondContact O-CB 3.26Å; L28-N33 PolarHBondContact O-ND2 3.1Å; L28-I54 HydrophobicContact CD1-CB 4.5Å; L28-I54 HydrophobicContact CD1-CG2 4.43Å; L28-P56 HydrophobicContact CD1-CB 4.41Å; L28-P56 HydrophobicContact CD1-CG 4.4Å
29W89.2Confident82.3Confident0 Ų071.1 Ų71.10%037%0.367CS..  trans-8069.1-177.5-164-112.7000108.9I27 F36 F53 I54 R59 Q63 L65 F124 A126 F136 L138I27-W29 HydrophobicContact CG2-CE3 4.03Å; I27-W29 PolarHBondContact O-N 3.45Å; W29-F36 AromaticContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CZ3-CE1 4.37Å; W29-F36 AromaticContact CZ3-CZ 3.85Å; W29-F36 HydrophobicContact CZ3-CZ 3.85Å; W29-F53 HydrophobicContact CD2-CD1 4.34Å; W29-F53 AromaticContact CE3-CD1 3.72Å; W29-F53 HydrophobicContact CE3-CD1 3.72Å; W29-F53 AromaticContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CZ3-CD1 4.19Å; W29-F53 AromaticContact CZ3-CE1 3.97Å; W29-F53 HydrophobicContact CZ3-CE1 3.97Å; W29-I54 PolarHBondContact N-O 3.27Å; W29-R59 PolarHBondContact O-NH1 3.21Å; W29-R59 PolarHBondContact O-NH2 2.83Å; W29-Q63 VanDerWaalsContact CD1-O 3.28Å; W29-Q63 PolarHBondContact NE1-O 2.91Å; W29-Q63 PolarHBondContact O-OE1 3.43Å; W29-L65 HydrophobicContact CD2-CD1 3.84Å; W29-L65 HydrophobicContact CE3-CD1 3.95Å; W29-L65 HydrophobicContact CH2-CD1 3.45Å; W29-L65 VanDerWaalsContact CH2-CD1 3.45Å; W29-L65 HydrophobicContact CZ2-CD1 3.32Å; W29-L65 HydrophobicContact CZ3-CD1 3.76Å; W29-F124 HydrophobicContact CH2-CB 4.06Å; W29-F124 HydrophobicContact CZ3-CB 4.39Å; W29-A126 HydrophobicContact CZ2-CB 4.09Å; W29-F136 HydrophobicContact CB-CE2 4.5Å; W29-F136 HydrophobicContact CB-CZ 4.16Å; W29-F136 AromaticContact CD1-CZ 3.42Å; W29-F136 VanDerWaalsContact CD1-CZ 3.42Å; W29-F136 HydrophobicContact CD2-CD2 4.37Å; W29-F136 HydrophobicContact CD2-CE1 4.47Å; W29-F136 AromaticContact CD2-CE2 3.34Å; W29-F136 HydrophobicContact CD2-CE2 3.34Å; W29-F136 AromaticContact CD2-CZ 3.41Å; W29-F136 HydrophobicContact CD2-CZ 3.41Å; W29-F136 VanDerWaalsContact CD2-CZ 3.41Å; W29-F136 AromaticContact CE2-CE2 3.51Å; W29-F136 AromaticContact CE2-CZ 3.41Å; W29-F136 VanDerWaalsContact CE2-CZ 3.41Å; W29-F136 HydrophobicContact CE3-CD2 4.4Å; W29-F136 AromaticContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CZ 4.13Å; W29-F136 HydrophobicContact CG-CE1 4.46Å; W29-F136 AromaticContact CG-CE2 3.81Å; W29-F136 HydrophobicContact CG-CE2 3.81Å; W29-F136 AromaticContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CG-CZ 3.41Å; W29-F136 VanDerWaalsContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CH2-CD2 4.23Å; W29-F136 HydrophobicContact CH2-CE2 4.07Å; W29-F136 HydrophobicContact CZ2-CD2 4.18Å; W29-F136 AromaticContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CZ 4.11Å; W29-F136 HydrophobicContact CZ3-CD2 4.34Å; W29-F136 AromaticContact CZ3-CE2 3.93Å; W29-F136 HydrophobicContact CZ3-CE2 3.93Å; W29-F136 AromaticContact NE1-CE1 3.84Å; W29-F136 AromaticContact NE1-CZ 3.41Å; W29-F136 WeakPolarHBondContact O-CZ 3.49Å; W29-L138 HydrophobicContact CZ3-CB 4.43Å
30D85.5Confident83.9Confident31 Ų3171.8 Ų71.817%0.16636%0.362CS..SBendtrans-143.6154178-163.528000113.4L28 S32 N33 F36 P56 R59 Q63L28-D30 HydrophobicContact CD2-CB 4.33Å; L28-D30 HydrophobicContact CG-CB 4.13Å; L28-D30 PolarHBondContact O-N 2.84Å; D30-S32 PolarHBondContact O-N 2.97Å; D30-S32 VanDerWaalsContact O-N 3.15Å; D30-S32 VanDerWaalsContact OD2-CB 3.25Å; D30-S32 WeakPolarHBondContact OD2-CB 3.33Å; D30-S32 PolarHBondContact OD2-N 3.47Å; D30-S32 PolarHBondContact OD2-OG 3.5Å; D30-N33 VanDerWaalsContact O-CB 3.28Å; D30-N33 WeakPolarHBondContact O-CB 3.31Å; D30-N33 PolarHBondContact O-N 2.94Å; D30-F36 VanDerWaalsContact O-CD2 3.23Å; D30-F36 WeakPolarHBondContact O-CD2 3.38Å; D30-P56 HydrophobicContact CB-CG 4.02Å; D30-R59 IonicContact OD1-CZ 3.97Å; D30-R59 IonicContact OD1-NE 2.71Å; D30-R59 IonicContact OD1-NH2 3.63Å; D30-R59 PolarHBondContact OD1-NH2 2.82Å; D30-R59 IonicContact OD2-NH2 2.66Å; D30-Q63 PolarHBondContact OD1-NE2 3.29Å
31A81.9Confident85.2Confident28 Ų2869.4 Ų69.423%0.23134%0.34CS..THydrogen-bonded Turntrans-62.5-18.717200000113.5N33 N134A31-N33 VanDerWaalsContact C-N 3.3Å; A31-N134 HydrophobicContact CB-CB 3.91Å; A31-N134 WeakPolarHBondContact CB-ND2 3.37Å
32S82.1Confident86.5Confident56 Ų5663.3 Ų63.339%0.39231%0.314SS..THydrogen-bonded Turntrans-73.9-19.2174.864.70000113.8D30 W34 K37D30-S32 PolarHBondContact O-N 2.97Å; D30-S32 VanDerWaalsContact O-N 3.15Å; D30-S32 VanDerWaalsContact OD2-CB 3.25Å; D30-S32 WeakPolarHBondContact OD2-CB 3.33Å; D30-S32 PolarHBondContact OD2-N 3.47Å; D30-S32 PolarHBondContact OD2-OG 3.5Å; S32-W34 PolarHBondContact O-N 2.81Å; S32-K37 WeakPolarHBondContact O-CE 3.35Å; S32-K37 PolarHBondContact O-NZ 3.41Å
33N85.9Confident87.1Confident11 Ų1159.5 Ų59.56%0.05929%0.294CS..SBendtrans-63.9128.8-177.3-174.2-23.1000110.9L28 D30 A31 R35 F36 K37L28-N33 HydrophobicContact CB-CB 4.38Å; L28-N33 PolarHBondContact N-ND2 3.17Å; L28-N33 WeakPolarHBondContact O-CB 3.26Å; L28-N33 PolarHBondContact O-ND2 3.1Å; D30-N33 VanDerWaalsContact O-CB 3.28Å; D30-N33 WeakPolarHBondContact O-CB 3.31Å; D30-N33 PolarHBondContact O-N 2.94Å; A31-N33 VanDerWaalsContact C-N 3.3Å; N33-R35 PolarHBondContact O-N 3.49Å; N33-R35 PolarHBondContact OD1-N 2.74Å; N33-F36 HydrophobicContact CB-CD2 3.75Å; N33-F36 HydrophobicContact CB-CE2 3.84Å; N33-F36 PolarHBondContact O-N 2.8Å; N33-K37 PolarHBondContact O-N 3.11Å
34W85.6Confident87.3Confident122 Ų12259.7 Ų59.746%0.46229%0.29SS..Hα-helixtrans-56.7-32.3-178.165.2-91.6000112.6S32 F36 K37 E38 Q40S32-W34 PolarHBondContact O-N 2.81Å; W34-F36 VanDerWaalsContact C-N 3.3Å; W34-F36 PolarHBondContact O-N 2.04Å; W34-K37 PolarHBondContact O-N 3.41Å; W34-E38 WeakPolarHBondContact O-CB 3.24Å; W34-E38 PolarHBondContact O-N 3.05Å; W34-Q40 HydrophobicContact CZ3-CB 4.16Å; W34-Q40 HydrophobicContact CZ3-CG 4.37Å
35R87.4Confident87.4Confident50 Ų5055.3 Ų55.319%0.18927%0.267CS..Hα-helixtrans-56.7-43.5178.3-71.6-174.4177.6-86.34112.2N33 N39 Q40 N41N33-R35 PolarHBondContact O-N 3.49Å; N33-R35 PolarHBondContact OD1-N 2.74Å; R35-N39 PolarHBondContact O-N 2.99Å; R35-Q40 CarbonylContact O-C 3.58Å; R35-Q40 PolarHBondContact O-N 2.87Å; R35-N41 PolarHBondContact O-OD1 2.8Å
36F86.7Confident87.3Confident4 Ų456.3 Ų56.32%0.01828%0.275CS..Hα-helixtrans-77.4-35.9180-51.1-55000112.2I27 W29 D30 N33 W34 N39 F136I27-F36 HydrophobicContact CG2-CZ 4.21Å; W29-F36 AromaticContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CZ3-CE1 4.37Å; W29-F36 AromaticContact CZ3-CZ 3.85Å; W29-F36 HydrophobicContact CZ3-CZ 3.85Å; D30-F36 VanDerWaalsContact O-CD2 3.23Å; D30-F36 WeakPolarHBondContact O-CD2 3.38Å; N33-F36 HydrophobicContact CB-CD2 3.75Å; N33-F36 HydrophobicContact CB-CE2 3.84Å; N33-F36 PolarHBondContact O-N 2.8Å; W34-F36 VanDerWaalsContact C-N 3.3Å; W34-F36 PolarHBondContact O-N 2.04Å; F36-N39 PolarHBondContact O-N 3.38Å; F36-F136 HydrophobicContact CD1-CD2 4.08Å; F36-F136 AromaticContact CD2-CD2 3.62Å; F36-F136 HydrophobicContact CD2-CD2 3.62Å; F36-F136 AromaticContact CD2-CE2 3.85Å; F36-F136 HydrophobicContact CD2-CE2 3.85Å; F36-F136 AromaticContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CE2 4.28Å; F36-F136 AromaticContact CE2-CD2 3.37Å; F36-F136 HydrophobicContact CE2-CD2 3.37Å; F36-F136 AromaticContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CZ 4.41Å; F36-F136 AromaticContact CG-CD2 3.99Å; F36-F136 HydrophobicContact CG-CD2 3.99Å; F36-F136 AromaticContact CZ-CD2 3.48Å; F36-F136 HydrophobicContact CZ-CD2 3.48Å; F36-F136 VanDerWaalsContact CZ-CD2 3.48Å; F36-F136 AromaticContact CZ-CE2 3.47Å; F36-F136 HydrophobicContact CZ-CE2 3.47Å; F36-F136 VanDerWaalsContact CZ-CE2 3.47Å
37K83Confident87.2Confident146 Ų14654.6 Ų54.664%0.63526%0.264SS*.Hα-helixtrans-64.6-39.3176.8-71.4179.2176.21670112.8S32 N33 W34S32-K37 WeakPolarHBondContact O-CE 3.35Å; S32-K37 PolarHBondContact O-NZ 3.41Å; N33-K37 PolarHBondContact O-N 3.11Å; W34-K37 PolarHBondContact O-N 3.41Å
38E82.5Confident87.1Confident113 Ų11355 Ų5553%0.52827%0.268SS..THydrogen-bonded Turntrans-91.73.9-178.2-64.9-173.9-170.400113.4W34 Q40W34-E38 WeakPolarHBondContact O-CB 3.24Å; W34-E38 PolarHBondContact O-N 3.05Å; E38-Q40 HydrophobicContact CB-CG 3.95Å; E38-Q40 PolarHBondContact O-N 2.92Å; E38-Q40 PolarHBondContact OE2-NE2 3.03Å
39N82Confident87.2Confident116 Ų11652 Ų5262%0.6225%0.253SS*.THydrogen-bonded Turntrans56.625.2-172.6-55.3-42.6000113.6R35 F36 N41 N135R35-N39 PolarHBondContact O-N 2.99Å; F36-N39 PolarHBondContact O-N 3.38Å; N39-N41 PolarHBondContact O-N 2.67Å; N39-N135 PolarHBondContact OD1-ND2 2.79Å
40Q85.2Confident87.4Confident93 Ų9354 Ų5444%0.43526%0.264SS..  trans-85.161.9173.7-62.9-161.63000110.3W34 R35 E38 D42W34-Q40 HydrophobicContact CZ3-CB 4.16Å; W34-Q40 HydrophobicContact CZ3-CG 4.37Å; R35-Q40 CarbonylContact O-C 3.58Å; R35-Q40 PolarHBondContact O-N 2.87Å; E38-Q40 HydrophobicContact CB-CG 3.95Å; E38-Q40 PolarHBondContact O-N 2.92Å; E38-Q40 PolarHBondContact OE2-NE2 3.03Å; Q40-D42 VanDerWaalsContact C-N 3.32Å; Q40-D42 PolarHBondContact O-N 3.04Å
41N88.2Confident87.9Confident12 Ų1252.6 Ų52.66%0.06426%0.256CS..  trans-85.7-2.8-171.4-66.1-1.9000113.5R35 N39 N135 R137 L138 S139R35-N41 PolarHBondContact O-OD1 2.8Å; N39-N41 PolarHBondContact O-N 2.67Å; N41-N135 PolarHBondContact ND2-ND2 2.79Å; N41-N135 PolarHBondContact ND2-OD1 3.43Å; N41-R137 WeakPolarHBondContact CB-O 3.01Å; N41-R137 WeakPolarHBondContact ND2-CG 3.13Å; N41-R137 PolarHBondContact ND2-O 3.21Å; N41-L138 CarbonylContact O-C 3.55Å; N41-L138 VanDerWaalsContact O-CA 3.31Å; N41-L138 WeakPolarHBondContact O-CA 3.1Å; N41-L138 VanDerWaalsContact O-CD1 3.26Å; N41-L138 WeakPolarHBondContact O-CD1 3.05Å; N41-S139 PolarHBondContact O-N 2.78Å
42D91.1Very high88.4Confident62 Ų6252.5 Ų52.533%0.33225%0.251SS..EExtended strand (participates in β ladder)trans-99.6129.6-177.2-61.5-26.8000110Q40 S139Q40-D42 VanDerWaalsContact C-N 3.32Å; Q40-D42 PolarHBondContact O-N 3.04Å; D42-S139 CarbonylContact C-O 3.58Å; D42-S139 WeakPolarHBondContact CA-O 3.37Å; D42-S139 WeakPolarHBondContact OD1-CB 3.24Å
43I92.6Very high88.9Confident5 Ų549.9 Ų49.93%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-118.7133.8170.7-68.9175.2000108I27 L138 S139 V140 K141I27-I43 HydrophobicContact CD1-CD1 4.03Å; I27-I43 HydrophobicContact CG1-CD1 3.87Å; I43-L138 HydrophobicContact CD1-CD1 3.7Å; I43-L138 HydrophobicContact CD1-CD2 3.94Å; I43-L138 HydrophobicContact CD1-CG 4.26Å; I43-L138 HydrophobicContact CG1-CD1 3.97Å; I43-S139 PolarHBondContact N-O 2.71Å; I43-V140 HydrophobicContact CB-CG2 4.27Å; I43-V140 CarbonylContact O-C 3.58Å; I43-V140 WeakPolarHBondContact O-CA 3.38Å; I43-K141 PolarHBondContact O-N 3.15Å
44Y91.9Very high89Confident123 Ų12351.9 Ų51.948%0.48224%0.243SC..EExtended strand (participates in β ladder)trans-103.7121.3170.5-63.2-87.2000107.3K141 M143Y44-K141 WeakPolarHBondContact CA-O 3.4Å; Y44-K141 HydrophobicContact CD1-CB 3.88Å; Y44-K141 HydrophobicContact CD1-CD 4.36Å; Y44-K141 HydrophobicContact CE1-CB 4.04Å; Y44-K141 HydrophobicContact CE1-CD 3.66Å; Y44-K141 HydrophobicContact CE1-CG 4.47Å; Y44-M143 HydrophobicContact CG-CE 4.35Å
45A91.7Very high89.1Confident0 Ų046.2 Ų46.20%022%0.222CC..EExtended strand (participates in β ladder)trans-123.2149.6-177.900000110.2D49 V104 V140 K141 L142 M143A45-D49 WeakPolarHBondContact CA-OD2 3.31Å; A45-D49 HydrophobicContact CB-CB 4.24Å; A45-V104 HydrophobicContact CB-CG1 4.36Å; A45-V104 HydrophobicContact CB-CG2 3.89Å; A45-V140 HydrophobicContact CB-CG1 4.1Å; A45-K141 PolarHBondContact N-O 3.49Å; A45-L142 WeakPolarHBondContact O-CA 3.39Å; A45-M143 PolarHBondContact O-N 3.21Å
46T90.3Very high88.8Confident40 Ų4045.8 Ų45.825%0.24523%0.226CC..  trans-92.616017339.30000111.7G48 D49 M143T46-G48 PolarHBondContact O-N 3.44Å; T46-D49 PolarHBondContact N-OD2 3.02Å; T46-D49 WeakPolarHBondContact O-CB 3.23Å; T46-D49 PolarHBondContact O-N 3.16Å; T46-D49 VanDerWaalsContact O-N 3.15Å; T46-D49 PolarHBondContact OG1-OD1 2.77Å; T46-D49 PolarHBondContact OG1-OD2 2.77Å; T46-D49 VanDerWaalsContact OG1-OD2 3.07Å; T46-M143 HydrophobicContact CG2-CB 4.15Å; T46-M143 HydrophobicContact CG2-SD 4.22Å
47E88.7Confident88.3Confident71 Ų7154 Ų5433%0.33226%0.261SS..THydrogen-bonded Turntrans-60.2124176.2-172.574.4179.300109.7S105 R106 L142E47-S105 VanDerWaalsContact OE1-CA 3.31Å; E47-S105 WeakPolarHBondContact OE1-CA 3.13Å; E47-R106 PolarHBondContact OE1-N 2.97Å; E47-R106 PolarHBondContact OE2-N 3.04Å; E47-L142 HydrophobicContact CB-CD1 4.33Å
48G88.5Confident87.5Confident9 Ų953.5 Ų53.59%0.09327%0.266CS..THydrogen-bonded Turntrans96.8-9.9-178.400000115.5T46 V104T46-G48 PolarHBondContact O-N 3.44Å; G48-V104 WeakPolarHBondContact CA-O 3.47Å; G48-V104 PolarHBondContact N-O 3.28Å
49D92.3Very high86.7Confident1 Ų150.1 Ų50.11%0.00525%0.248CC..  trans-59.8155.6173.8-774000111.5Q23 H25 A45 T46 V104Q23-D49 PolarHBondContact N-OD1 3.45Å; Q23-D49 WeakPolarHBondContact O-CA 3.06Å; Q23-D49 VanDerWaalsContact O-CB 3.31Å; Q23-D49 WeakPolarHBondContact O-CB 3.33Å; H25-D49 IonicContact CD2-OD2 3.66Å; H25-D49 IonicContact CE1-OD2 3.94Å; H25-D49 IonicContact NE2-OD2 2.85Å; H25-D49 PolarHBondContact NE2-OD2 3.26Å; A45-D49 WeakPolarHBondContact CA-OD2 3.31Å; A45-D49 HydrophobicContact CB-CB 4.24Å; T46-D49 PolarHBondContact N-OD2 3.02Å; T46-D49 WeakPolarHBondContact O-CB 3.23Å; T46-D49 PolarHBondContact O-N 3.16Å; T46-D49 VanDerWaalsContact O-N 3.15Å; T46-D49 PolarHBondContact OG1-OD1 2.77Å; T46-D49 PolarHBondContact OG1-OD2 2.77Å; T46-D49 VanDerWaalsContact OG1-OD2 3.07Å; D49-V104 HydrophobicContact CB-CB 4.38Å; D49-V104 HydrophobicContact CB-CG2 4.22Å; D49-V104 PolarHBondContact O-N 3.02Å
50N93.3Very high85.7Confident42 Ų4250.1 Ų50.123%0.22525%0.252CS..EExtended strand (participates in β ladder)trans-105.6130.1174.4-57.2-56.8000110.7Q23 D24 H25 I52 V101Q23-N50 PolarHBondContact O-N 3.15Å; D24-N50 WeakPolarHBondContact OD1-CB 3.2Å; D24-N50 PolarHBondContact OD1-ND2 3.44Å; H25-N50 PolarHBondContact N-O 2.58Å; N50-I52 HydrophobicContact CB-CG1 4.31Å; N50-V101 HydrophobicContact CB-CG1 4.21Å
51L94.2Very high84.7Confident0 Ų052.5 Ų52.50%026%0.261CS..EExtended strand (participates in β ladder)trans-95.9117.1165.9-54.3175.6000108.2H25 I27 F53 V101 L102 V104 F116 F124 V140H25-L51 HydrophobicContact CB-CD2 3.81Å; I27-L51 HydrophobicContact CD1-CB 4.41Å; L51-F53 HydrophobicContact CB-CE2 3.83Å; L51-F53 HydrophobicContact CB-CZ 4.45Å; L51-V101 WeakPolarHBondContact O-CA 3.42Å; L51-L102 HydrophobicContact CB-CB 4.32Å; L51-L102 HydrophobicContact CD1-CD2 4.19Å; L51-L102 PolarHBondContact N-O 2.92Å; L51-L102 PolarHBondContact O-N 3.44Å; L51-V104 HydrophobicContact CD1-CG2 4.03Å; L51-V104 HydrophobicContact CD2-CG2 4.15Å; L51-V104 HydrophobicContact CG-CG2 3.76Å; L51-F116 HydrophobicContact CD1-CE1 4.25Å; L51-F116 HydrophobicContact CD1-CZ 3.82Å; L51-F124 HydrophobicContact CD1-CE2 4.12Å; L51-F124 HydrophobicContact CD1-CZ 4Å; L51-V140 HydrophobicContact CD1-CB 4.48Å; L51-V140 HydrophobicContact CD1-CG1 4.14Å; L51-V140 HydrophobicContact CD1-CG2 3.98Å; L51-V140 HydrophobicContact CD2-CG1 4.35Å; L51-V140 HydrophobicContact CD2-CG2 4.45Å
52I93Very high83.8Confident27 Ų2753.3 Ų53.314%0.13827%0.268CS..EExtended strand (participates in β ladder)trans-113105.8-176.2-54.1176.7000108.7D24 H25 I26 I27 N50 I54 V101D24-I52 HydrophobicContact CB-CD1 4.07Å; H25-I52 PolarHBondContact O-N 3.46Å; I26-I52 HydrophobicContact CG1-CB 4.41Å; I26-I52 HydrophobicContact CG1-CD1 4.34Å; I27-I52 PolarHBondContact N-O 3.13Å; N50-I52 HydrophobicContact CB-CG1 4.31Å; I52-I54 HydrophobicContact CG2-CD1 4.38Å; I52-I54 HydrophobicContact CG2-CG1 4.09Å; I52-V101 HydrophobicContact CG1-CG1 4.29Å; I52-V101 HydrophobicContact CG1-CG2 4.27Å; I52-V101 HydrophobicContact CG2-CG2 4.31Å
53F91.9Very high83.1Confident0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-93123.4178.2-64-91.3000110.4I27 W29 L51 L65 L89 E99 F100 F124 L138I27-F53 HydrophobicContact CB-CD1 4.04Å; I27-F53 HydrophobicContact CB-CE1 4.29Å; I27-F53 HydrophobicContact CD1-CD1 4.27Å; I27-F53 HydrophobicContact CD1-CE1 3.94Å; I27-F53 HydrophobicContact CD1-CE2 4.47Å; I27-F53 HydrophobicContact CD1-CZ 4.05Å; I27-F53 HydrophobicContact CG1-CE1 4.5Å; I27-F53 HydrophobicContact CG2-CD1 4.15Å; I27-F53 HydrophobicContact CG2-CE1 4.31Å; I27-F53 WeakPolarHBondContact O-CA 3.41Å; W29-F53 HydrophobicContact CD2-CD1 4.34Å; W29-F53 AromaticContact CE3-CD1 3.72Å; W29-F53 HydrophobicContact CE3-CD1 3.72Å; W29-F53 AromaticContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CZ3-CD1 4.19Å; W29-F53 AromaticContact CZ3-CE1 3.97Å; W29-F53 HydrophobicContact CZ3-CE1 3.97Å; L51-F53 HydrophobicContact CB-CE2 3.83Å; L51-F53 HydrophobicContact CB-CZ 4.45Å; F53-L65 HydrophobicContact CB-CD2 3.88Å; F53-L65 HydrophobicContact CD1-CD1 3.95Å; F53-L65 HydrophobicContact CD1-CD2 3.72Å; F53-L65 HydrophobicContact CD2-CD2 3.73Å; F53-L65 HydrophobicContact CE1-CD1 3.91Å; F53-L65 HydrophobicContact CE1-CD2 4.14Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; F53-L65 HydrophobicContact CG-CD2 3.49Å; F53-L65 VanDerWaalsContact CG-CD2 3.49Å; F53-L65 HydrophobicContact CZ-CD1 4.49Å; F53-L65 HydrophobicContact CZ-CD2 4.33Å; F53-L89 HydrophobicContact CB-CD2 4.47Å; F53-E99 CarbonylContact O-C 3.56Å; F53-E99 VanDerWaalsContact O-CA 3.22Å; F53-E99 WeakPolarHBondContact O-CA 3.37Å; F53-F100 HydrophobicContact CB-CB 4.42Å; F53-F100 HydrophobicContact CD2-CD1 4.12Å; F53-F100 PolarHBondContact N-O 2.98Å; F53-F100 PolarHBondContact O-N 3.2Å; F53-F124 HydrophobicContact CE1-CB 4.45Å; F53-F124 HydrophobicContact CE1-CD1 4.28Å; F53-F124 HydrophobicContact CE1-CG 4.22Å; F53-F124 HydrophobicContact CE2-CD1 4.23Å; F53-F124 AromaticContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CZ 4.35Å; F53-F124 HydrophobicContact CZ-CB 4.49Å; F53-F124 AromaticContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD2 4.06Å; F53-F124 AromaticContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE2 4.19Å; F53-F124 AromaticContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CZ 4.05Å; F53-L138 HydrophobicContact CE1-CD2 3.96Å; F53-L138 HydrophobicContact CZ-CD2 4.2Å
54I89.1Confident82.7Confident54 Ų5451.4 Ų51.428%0.27726%0.258SS..EExtended strand (participates in β ladder)trans-116.5123.4-177.7-56.3177.4000110.7I26 I27 L28 W29 I52 T98I26-I54 HydrophobicContact CG2-CD1 3.67Å; I26-I54 HydrophobicContact CG2-CG1 4.41Å; I27-I54 PolarHBondContact O-N 3.01Å; L28-I54 HydrophobicContact CD1-CB 4.5Å; L28-I54 HydrophobicContact CD1-CG2 4.43Å; W29-I54 PolarHBondContact N-O 3.27Å; I52-I54 HydrophobicContact CG2-CD1 4.38Å; I52-I54 HydrophobicContact CG2-CG1 4.09Å; I54-T98 CarbonylContact C-O 3.54Å; I54-T98 VanDerWaalsContact CA-O 3.32Å; I54-T98 WeakPolarHBondContact CA-O 3.32Å
55C87.4Confident82.6Confident3 Ų345.5 Ų45.52%0.0224%0.235CC..PPolyproline II helixtrans-84.3120.7167.6-48.90000109.6L89 C91 T98C55-L89 WeakPolarHBondContact SG-CD2 3.49Å; C55-C91 HydrophobicContact CB-CB 3.67Å; C55-C91 WeakPolarHBondContact CB-SG 3.39Å; C55-C91 VanDerWaalsContact SG-CA 3.57Å; C55-C91 WeakPolarHBondContact SG-CB 3.24Å; C55-C91 CovalentContact SG-SG 2.03Å; C55-C91 PolarHBondContact SG-SG 3.24Å; C55-T98 PolarHBondContact N-O 2.87Å
56P81.5Confident82.5Confident41 Ų4146.6 Ų46.627%0.26624%0.239SC..PPolyproline II helixtrans-63.2151.4167.926.8-36.7000111.6L28 D30 R59L28-P56 HydrophobicContact CD1-CB 4.41Å; L28-P56 HydrophobicContact CD1-CG 4.4Å; D30-P56 HydrophobicContact CB-CG 4.02Å; P56-R59 VanDerWaalsContact CG-NE 3.33Å
57K75.8Confident82.6Confident175 Ų17545.6 Ų45.676%0.76123%0.231SC*.SBendtrans-71.7156.1179.2-60.2179.5-179.6179.20110.5
58N66.3Low82.6Confident136 Ų13642.2 Ų42.273%0.72722%0.215SC*.SBendtrans6355.9173.5-59.1-19.4000115.5
59R66.3Low82.5Confident43 Ų4346.1 Ų46.116%0.16223%0.234CC..  trans-91.8141.4177.4-70.4-170.1153.9161.8-3.6113.7W29 D30 P56 Q63W29-R59 PolarHBondContact O-NH1 3.21Å; W29-R59 PolarHBondContact O-NH2 2.83Å; D30-R59 IonicContact OD1-CZ 3.97Å; D30-R59 IonicContact OD1-NE 2.71Å; D30-R59 IonicContact OD1-NH2 3.63Å; D30-R59 PolarHBondContact OD1-NH2 2.82Å; D30-R59 IonicContact OD2-NH2 2.66Å; P56-R59 VanDerWaalsContact CG-NE 3.33Å; R59-Q63 VanDerWaalsContact NH1-CD 3.32Å
60T60Low82.2Confident116 Ų11647 Ų4771%0.71224%0.238SC*.SBendtrans-83.6-21.517249.10000113
61F65.8Low81.9Confident142 Ų14247.7 Ų47.762%0.62325%0.245SC*.SBendtrans-129.5143.6-175.3-56-70.9000112.3Q63 I130F61-Q63 PolarHBondContact O-N 2.99Å; F61-I130 HydrophobicContact CB-CD1 4.36Å
62S68.5Low81.4Confident30 Ų3053.9 Ų53.921%0.2127%0.268CS..  trans-67.2119.2174.3177.90000109.9N64 I130S62-N64 VanDerWaalsContact OG-CG 3.26Å; S62-N64 PolarHBondContact OG-ND2 2.82Å; S62-N64 PolarHBondContact OG-OD1 2.88Å; S62-I130 VanDerWaalsContact O-CD1 3.24Å; S62-I130 WeakPolarHBondContact O-CD1 3.44Å
63Q76.9Confident80.8Confident15 Ų1552.7 Ų52.77%0.0726%0.262CS..  trans-114.658.8178.3-66.7-168.820.200110.3W29 D30 R59 F61 L65 C91 I130 F136W29-Q63 VanDerWaalsContact CD1-O 3.28Å; W29-Q63 PolarHBondContact NE1-O 2.91Å; W29-Q63 PolarHBondContact O-OE1 3.43Å; D30-Q63 PolarHBondContact OD1-NE2 3.29Å; R59-Q63 VanDerWaalsContact NH1-CD 3.32Å; F61-Q63 PolarHBondContact O-N 2.99Å; Q63-L65 PolarHBondContact O-N 2.76Å; Q63-C91 HydrophobicContact CB-CB 4.12Å; Q63-C91 WeakPolarHBondContact O-CB 3.38Å; Q63-C91 PolarHBondContact O-SG 2.77Å; Q63-I130 HydrophobicContact CG-CD1 3.81Å; Q63-F136 HydrophobicContact CB-CE1 4.16Å; Q63-F136 HydrophobicContact CG-CE1 4.19Å
64N84.4Confident80.3Confident11 Ų1153.8 Ų53.86%0.05927%0.267CS..  trans-60.3135179.6-64.5-22.5000111.1S62 Y66 L89 D90S62-N64 VanDerWaalsContact OG-CG 3.26Å; S62-N64 PolarHBondContact OG-ND2 2.82Å; S62-N64 PolarHBondContact OG-OD1 2.88Å; N64-Y66 HydrophobicContact CB-CD2 4.28Å; N64-Y66 HydrophobicContact CB-CE2 3.4Å; N64-Y66 WeakPolarHBondContact CB-OH 3.33Å; N64-Y66 PolarHBondContact ND2-OH 3.2Å; N64-Y66 WeakPolarHBondContact O-CD2 3.48Å; N64-L89 CarbonylContact C-O 3.53Å; N64-L89 VanDerWaalsContact CA-O 3.28Å; N64-L89 WeakPolarHBondContact CA-O 3.23Å; N64-D90 WeakPolarHBondContact OD1-CA 3.35Å; N64-D90 PolarHBondContact OD1-OD1 3.23Å
65L88.2Confident80Confident0 Ų056.9 Ų56.90%028%0.284CS..EExtended strand (participates in β ladder)trans-88.8125172.9177.966.1000108.7W29 F53 Q63 L88 L89 F100 F124W29-L65 HydrophobicContact CD2-CD1 3.84Å; W29-L65 HydrophobicContact CE3-CD1 3.95Å; W29-L65 HydrophobicContact CH2-CD1 3.45Å; W29-L65 VanDerWaalsContact CH2-CD1 3.45Å; W29-L65 HydrophobicContact CZ2-CD1 3.32Å; W29-L65 HydrophobicContact CZ3-CD1 3.76Å; F53-L65 HydrophobicContact CB-CD2 3.88Å; F53-L65 HydrophobicContact CD1-CD1 3.95Å; F53-L65 HydrophobicContact CD1-CD2 3.72Å; F53-L65 HydrophobicContact CD2-CD2 3.73Å; F53-L65 HydrophobicContact CE1-CD1 3.91Å; F53-L65 HydrophobicContact CE1-CD2 4.14Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; F53-L65 HydrophobicContact CG-CD2 3.49Å; F53-L65 VanDerWaalsContact CG-CD2 3.49Å; F53-L65 HydrophobicContact CZ-CD1 4.49Å; F53-L65 HydrophobicContact CZ-CD2 4.33Å; Q63-L65 PolarHBondContact O-N 2.76Å; L65-L88 HydrophobicContact CB-CB 4.5Å; L65-L88 HydrophobicContact CD2-CB 3.99Å; L65-L88 HydrophobicContact CD2-CD1 4.14Å; L65-L88 HydrophobicContact CG-CB 4.14Å; L65-L88 HydrophobicContact CG-CD1 4.3Å; L65-L88 PolarHBondContact O-N 3.31Å; L65-L89 HydrophobicContact CB-CB 3.76Å; L65-L89 HydrophobicContact CD2-CB 4.2Å; L65-L89 PolarHBondContact N-O 2.85Å; L65-L89 PolarHBondContact O-N 3.03Å; L65-F100 HydrophobicContact CD2-CD1 4.26Å; L65-F124 HydrophobicContact CD1-CB 3.87Å; L65-F124 HydrophobicContact CD1-CD1 4Å; L65-F124 HydrophobicContact CD1-CG 4.36Å; L65-F124 HydrophobicContact CG-CD1 4.44Å
66Y90Very high79.6Confident23 Ų2363 Ų639%0.0931%0.31CS..EExtended strand (participates in β ladder)trans-120.3151.4172.3-56.5-88.6000110.3N64 K79 V85 I86 K87 F124 V125 Q127N64-Y66 HydrophobicContact CB-CD2 4.28Å; N64-Y66 HydrophobicContact CB-CE2 3.4Å; N64-Y66 WeakPolarHBondContact CB-OH 3.33Å; N64-Y66 PolarHBondContact ND2-OH 3.2Å; N64-Y66 WeakPolarHBondContact O-CD2 3.48Å; Y66-K79 VanDerWaalsContact CE2-NZ 3.29Å; Y66-K79 PolarHBondContact OH-NZ 2.86Å; Y66-V85 VanDerWaalsContact CB-CG1 3.46Å; Y66-V85 HydrophobicContact CD1-CG1 3.87Å; Y66-V85 HydrophobicContact CG-CG1 3.87Å; Y66-I86 CarbonylContact C-O 3.51Å; Y66-I86 VanDerWaalsContact CA-O 3.24Å; Y66-I86 WeakPolarHBondContact CA-O 3.48Å; Y66-K87 HydrophobicContact CD1-CB 3.77Å; Y66-K87 HydrophobicContact CD1-CG 4.19Å; Y66-K87 HydrophobicContact CE1-CB 3.62Å; Y66-K87 HydrophobicContact CE1-CD 4.15Å; Y66-K87 HydrophobicContact CE1-CG 3.79Å; Y66-F124 CarbonylContact O-C 3.5Å; Y66-F124 VanDerWaalsContact O-CA 3.23Å; Y66-F124 WeakPolarHBondContact O-CA 3.19Å; Y66-V125 WeakPolarHBondContact CD2-O 3.45Å; Y66-V125 PolarHBondContact N-O 3.15Å; Y66-V125 PolarHBondContact O-N 2.9Å; Y66-Q127 HydrophobicContact CE2-CB 4.46Å
67W91.9Very high79.7Confident19 Ų1961.3 Ų61.37%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-119.8155169.881.2-88.3000112.3V85 I86 L88 S112 P114 V122 Y123 F124W67-V85 WeakPolarHBondContact O-CA 3.5Å; W67-I86 HydrophobicContact CZ2-CD1 3.66Å; W67-I86 HydrophobicContact CZ2-CG1 4.48Å; W67-I86 PolarHBondContact N-O 2.77Å; W67-I86 PolarHBondContact O-N 2.9Å; W67-L88 HydrophobicContact CB-CD1 3.83Å; W67-L88 HydrophobicContact CB-CG 4.43Å; W67-L88 VanDerWaalsContact CD1-CD2 3.42Å; W67-L88 HydrophobicContact CG-CD1 4.06Å; W67-L88 HydrophobicContact CG-CD2 4.48Å; W67-L88 HydrophobicContact CG-CG 4.33Å; W67-S112 VanDerWaalsContact CE2-O 3.29Å; W67-S112 VanDerWaalsContact CZ2-O 3.25Å; W67-S112 WeakPolarHBondContact CZ2-O 3.4Å; W67-S112 PolarHBondContact NE1-O 2.03Å; W67-P114 HydrophobicContact CD2-CB 3.95Å; W67-P114 HydrophobicContact CD2-CG 4.23Å; W67-P114 HydrophobicContact CE3-CB 3.69Å; W67-P114 HydrophobicContact CE3-CG 4.42Å; W67-P114 HydrophobicContact CG-CG 4.47Å; W67-P114 HydrophobicContact CH2-CB 4.18Å; W67-P114 HydrophobicContact CZ2-CB 4.39Å; W67-P114 HydrophobicContact CZ3-CB 3.83Å; W67-V122 HydrophobicContact CE3-CG1 4.36Å; W67-Y123 CarbonylContact C-O 3.47Å; W67-Y123 VanDerWaalsContact CA-O 3.24Å; W67-Y123 WeakPolarHBondContact CA-O 3.46Å; W67-F124 HydrophobicContact CB-CD1 3.95Å; W67-F124 HydrophobicContact CB-CE1 3.98Å
68T89.5Confident79.4Confident0 Ų055.2 Ų55.20%028%0.275CS..EExtended strand (participates in β ladder)trans-159.3154.8175.1-171.90000110.4D70 V73 K84 Y123T68-D70 PolarHBondContact OG1-N 3.24Å; T68-D70 VanDerWaalsContact OG1-N 3.16Å; T68-V73 HydrophobicContact CG2-CB 3.78Å; T68-V73 HydrophobicContact CG2-CG1 4.06Å; T68-V73 HydrophobicContact CG2-CG2 4.1Å; T68-K84 PolarHBondContact OG1-O 3.33Å; T68-Y123 PolarHBondContact N-O 3.17Å; T68-Y123 WeakPolarHBondContact O-CB 3.49Å; T68-Y123 PolarHBondContact O-N 2.96Å
69D87Confident79.2Confident91 Ų9152.3 Ų52.349%0.48726%0.256SS..SBendtrans-90.8-7.4168.654.6-6.3000112.2P71D69-P71 WeakPolarHBondContact O-CD 3.28Å
70D86.3Confident78.5Confident18 Ų1855.5 Ų55.510%0.09628%0.281CS..  trans-88.6115.6-176.1-168.1-33.6000112.5T68 R72 V73 L83T68-D70 PolarHBondContact OG1-N 3.24Å; T68-D70 VanDerWaalsContact OG1-N 3.16Å; D70-R72 PolarHBondContact O-N 3.17Å; D70-R72 VanDerWaalsContact O-N 3.16Å; D70-R72 WeakPolarHBondContact OD1-CA 3.32Å; D70-R72 WeakPolarHBondContact OD1-CB 3.13Å; D70-R72 VanDerWaalsContact OD1-CG 3.23Å; D70-R72 WeakPolarHBondContact OD1-CG 3.07Å; D70-R72 IonicContact OD1-CZ 3.21Å; D70-R72 PolarHBondContact OD1-N 3.25Å; D70-R72 IonicContact OD1-NE 2.97Å; D70-R72 PolarHBondContact OD1-NE 3.11Å; D70-R72 IonicContact OD2-CZ 3.04Å; D70-R72 IonicContact OD2-NE 3.83Å; D70-R72 PolarHBondContact OD2-NE 2.96Å; D70-R72 IonicContact OD2-NH2 3.99Å; D70-R72 PolarHBondContact OD2-NH2 3.41Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 PolarHBondContact O-N 3.33Å; D70-L83 WeakPolarHBondContact OD2-CD1 3.24Å; D70-L83 WeakPolarHBondContact OD2-CD2 3.49Å
71P85.4Confident78.3Confident57 Ų5752.9 Ų52.937%0.3726%0.262SS..Hα-helixtrans-62-25179.124.4-33.6000113.6D69 V73 Q74 L75 Y123D69-P71 WeakPolarHBondContact O-CD 3.28Å; P71-V73 VanDerWaalsContact C-N 3.32Å; P71-V73 PolarHBondContact O-N 3.28Å; P71-Q74 PolarHBondContact O-N 2.66Å; P71-L75 WeakPolarHBondContact O-CB 3.1Å; P71-L75 WeakPolarHBondContact O-CG 3.12Å; P71-L75 PolarHBondContact O-N 3.4Å; P71-Y123 VanDerWaalsContact CA-CE2 3.44Å; P71-Y123 HydrophobicContact CB-CE2 3.8Å
72R83.5Confident77.8Confident131 Ų13152.6 Ų52.649%0.49427%0.274SS..Hα-helixtrans-67.9-34.2-177.7-58.4174.2-69.4-174.2-2.5111.5D70 L75 K76D70-R72 PolarHBondContact O-N 3.17Å; D70-R72 VanDerWaalsContact O-N 3.16Å; D70-R72 WeakPolarHBondContact OD1-CA 3.32Å; D70-R72 WeakPolarHBondContact OD1-CB 3.13Å; D70-R72 VanDerWaalsContact OD1-CG 3.23Å; D70-R72 WeakPolarHBondContact OD1-CG 3.07Å; D70-R72 IonicContact OD1-CZ 3.21Å; D70-R72 PolarHBondContact OD1-N 3.25Å; D70-R72 IonicContact OD1-NE 2.97Å; D70-R72 PolarHBondContact OD1-NE 3.11Å; D70-R72 IonicContact OD2-CZ 3.04Å; D70-R72 IonicContact OD2-NE 3.83Å; D70-R72 PolarHBondContact OD2-NE 2.96Å; D70-R72 IonicContact OD2-NH2 3.99Å; D70-R72 PolarHBondContact OD2-NH2 3.41Å; R72-L75 PolarHBondContact O-N 3.19Å; R72-K76 WeakPolarHBondContact O-CB 3.48Å; R72-K76 PolarHBondContact O-N 2.86Å
73V82.2Confident77.5Confident2 Ų252.9 Ų52.91%0.01227%0.273CS..Hα-helixtrans-65.8-45.3175.1-175.20000109.4T68 D70 P71 L75 C77 L83 V85 V125T68-V73 HydrophobicContact CG2-CB 3.78Å; T68-V73 HydrophobicContact CG2-CG1 4.06Å; T68-V73 HydrophobicContact CG2-CG2 4.1Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 PolarHBondContact O-N 3.33Å; P71-V73 VanDerWaalsContact C-N 3.32Å; P71-V73 PolarHBondContact O-N 3.28Å; V73-L75 PolarHBondContact O-N 3.16Å; V73-C77 WeakPolarHBondContact O-CA 3.35Å; V73-C77 PolarHBondContact O-N 2.66Å; V73-L83 HydrophobicContact CG2-CB 3.91Å; V73-L83 HydrophobicContact CG2-CD1 3.38Å; V73-L83 HydrophobicContact CG2-CG 4.25Å; V73-V85 HydrophobicContact CG1-CG2 3.99Å; V73-V85 HydrophobicContact CG2-CG2 4.05Å; V73-V125 HydrophobicContact CG1-CG2 3.99Å
74Q81.5Confident77.2Confident22 Ų2258.8 Ų58.810%0.10330%0.299CS..Hα-helixtrans-61.8-43.6178-159.7-150.613.400111.4P71 Y123 V125 R137P71-Q74 PolarHBondContact O-N 2.66Å; Q74-Y123 HydrophobicContact CB-CD1 3.92Å; Q74-Y123 HydrophobicContact CB-CE1 4.47Å; Q74-Y123 HydrophobicContact CB-CG 3.89Å; Q74-Y123 VanDerWaalsContact CD-CE1 3.5Å; Q74-Y123 HydrophobicContact CG-CD1 3.71Å; Q74-Y123 HydrophobicContact CG-CE1 4.4Å; Q74-Y123 HydrophobicContact CG-CG 4.07Å; Q74-V125 HydrophobicContact CB-CG1 4.34Å; Q74-V125 HydrophobicContact CG-CG1 4.24Å; Q74-R137 HydrophobicContact CG-CB 4.08Å; Q74-R137 HydrophobicContact CG-CG 4.31Å; Q74-R137 WeakPolarHBondContact O-CD 3.31Å; Q74-R137 PolarHBondContact O-NH1 2.83Å
75L81.1Confident76.9Confident119 Ų11960.2 Ų60.262%0.62331%0.307SS*.Hα-helixtrans-70.6-45.8-177.5-73.2170.5000113.2P71 R72 V73 R137P71-L75 WeakPolarHBondContact O-CB 3.1Å; P71-L75 WeakPolarHBondContact O-CG 3.12Å; P71-L75 PolarHBondContact O-N 3.4Å; R72-L75 PolarHBondContact O-N 3.19Å; V73-L75 PolarHBondContact O-N 3.16Å; L75-R137 PolarHBondContact O-NH1 2.8Å
76K80.6Confident76.7Confident131 Ų13162 Ų6257%0.5732%0.317SS*.Hα-helixtrans-89.9-11.3-175.9-63.6-176.4177.7-177.40113.4R72 N78 Q132R72-K76 WeakPolarHBondContact O-CB 3.48Å; R72-K76 PolarHBondContact O-N 2.86Å; K76-N78 HydrophobicContact CB-CB 4.07Å; K76-N78 PolarHBondContact O-N 3.17Å; K76-N78 VanDerWaalsContact O-N 3.1Å; K76-Q132 PolarHBondContact O-NE2 3.37Å; K76-Q132 VanDerWaalsContact O-NE2 3.17Å
77C82Confident76.5Confident7 Ų765.4 Ų65.45%0.04733%0.332CS..  trans51.329.4-171.4-76.10000112.4V73 S128 C131 Q132V73-C77 WeakPolarHBondContact O-CA 3.35Å; V73-C77 PolarHBondContact O-N 2.66Å; C77-S128 WeakPolarHBondContact O-CA 3.2Å; C77-S128 WeakPolarHBondContact O-CB 3.31Å; C77-C131 HydrophobicContact CB-CB 3.5Å; C77-C131 VanDerWaalsContact CB-CB 3.5Å; C77-C131 WeakPolarHBondContact CB-SG 3.14Å; C77-C131 WeakPolarHBondContact SG-CB 3.46Å; C77-C131 PolarHBondContact SG-O 3.41Å; C77-C131 VanDerWaalsContact SG-O 3.36Å; C77-C131 CovalentContact SG-SG 2.04Å; C77-C131 PolarHBondContact SG-SG 2.82Å; C77-Q132 HydrophobicContact CB-CB 4.46Å; C77-Q132 HydrophobicContact CB-CG 3.43Å; C77-Q132 VanDerWaalsContact CB-CG 3.43Å
78N69.6Low76.2Confident47 Ų4765.8 Ų65.825%0.25134%0.335SS..  trans-112128.5-170.5-163.7-2.7000110.8K76 T80K76-N78 HydrophobicContact CB-CB 4.07Å; K76-N78 PolarHBondContact O-N 3.17Å; K76-N78 VanDerWaalsContact O-N 3.1Å; N78-T80 PolarHBondContact ND2-OG1 2.9Å; N78-T80 WeakPolarHBondContact OD1-CB 3.48Å; N78-T80 WeakPolarHBondContact OD1-CG2 3.42Å; N78-T80 PolarHBondContact OD1-N 2.9Å; N78-T80 PolarHBondContact OD1-OG1 3.05Å
79K61.8Low76Confident74 Ų7466.2 Ų66.232%0.32234%0.337SS..  trans-82.1-14.4172.9-65.9-176.6176.2179.90112.8Y66 L81Y66-K79 VanDerWaalsContact CE2-NZ 3.29Å; Y66-K79 PolarHBondContact OH-NZ 2.86Å; K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.17Å; K79-L81 VanDerWaalsContact O-O 3.08Å
80T53Low75.7Confident111 Ų11164.9 Ų64.968%0.68133%0.331SS*.  trans-81.79.9-163.969.50000115.1N78N78-T80 PolarHBondContact ND2-OG1 2.9Å; N78-T80 WeakPolarHBondContact OD1-CB 3.48Å; N78-T80 WeakPolarHBondContact OD1-CG2 3.42Å; N78-T80 PolarHBondContact OD1-N 2.9Å; N78-T80 PolarHBondContact OD1-OG1 3.05Å
81L54.8Low75.4Confident60 Ų6064.2 Ų64.231%0.31433%0.327SS..SBendtrans-94.7153.8163.8-79.790.5000108K79 L83K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.17Å; K79-L81 VanDerWaalsContact O-O 3.08Å; L81-L83 HydrophobicContact CB-CD1 3.51Å; L81-L83 HydrophobicContact CB-CD2 4.32Å; L81-L83 HydrophobicContact CB-CG 3.49Å; L81-L83 VanDerWaalsContact CB-CG 3.49Å; L81-L83 HydrophobicContact CD2-CD1 4.24Å; L81-L83 HydrophobicContact CG-CD1 4.35Å; L81-L83 PolarHBondContact O-N 3.07Å
82P55.7Low74.9Confident137 Ų13767.9 Ų67.989%0.8934%0.337SS*.SBendtrans-69.257.3175.731.7-37.5000111
83L63Low74Confident35 Ų3563.3 Ų63.318%0.18333%0.331CS..  trans-104136.2-174-60.4178000108D70 V73 L81 V85D70-L83 WeakPolarHBondContact OD2-CD1 3.24Å; D70-L83 WeakPolarHBondContact OD2-CD2 3.49Å; V73-L83 HydrophobicContact CG2-CB 3.91Å; V73-L83 HydrophobicContact CG2-CD1 3.38Å; V73-L83 HydrophobicContact CG2-CG 4.25Å; L81-L83 HydrophobicContact CB-CD1 3.51Å; L81-L83 HydrophobicContact CB-CD2 4.32Å; L81-L83 HydrophobicContact CB-CG 3.49Å; L81-L83 VanDerWaalsContact CB-CG 3.49Å; L81-L83 HydrophobicContact CD2-CD1 4.24Å; L81-L83 HydrophobicContact CG-CD1 4.35Å; L81-L83 PolarHBondContact O-N 3.07Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.39Å; L83-V85 PolarHBondContact O-N 2.85Å
84K69.8Low72.9Confident140 Ų14069.8 Ų69.861%0.60937%0.366SS*.  trans-67.394.7177.8-170.9177.7175.9-174.30108.4T68 I86T68-K84 PolarHBondContact OG1-O 3.33Å; K84-I86 HydrophobicContact CG-CD1 4.39Å; K84-I86 HydrophobicContact CG-CG1 4.36Å
85V77.9Confident71.9Confident40 Ų4078.9 Ų78.924%0.24241%0.405CS..  trans-115114.3175.3179.70000107.2Y66 W67 V73 L83Y66-V85 VanDerWaalsContact CB-CG1 3.46Å; Y66-V85 HydrophobicContact CD1-CG1 3.87Å; Y66-V85 HydrophobicContact CG-CG1 3.87Å; W67-V85 WeakPolarHBondContact O-CA 3.5Å; V73-V85 HydrophobicContact CG1-CG2 3.99Å; V73-V85 HydrophobicContact CG2-CG2 4.05Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.39Å; L83-V85 PolarHBondContact O-N 2.85Å
86I84.3Confident71Confident39 Ų3974.6 Ų74.620%0.239%0.385CS..EExtended strand (participates in β ladder)trans-105.4131.1-175.7-64178.1000109.2Y66 W67 K84Y66-I86 CarbonylContact C-O 3.51Å; Y66-I86 VanDerWaalsContact CA-O 3.24Å; Y66-I86 WeakPolarHBondContact CA-O 3.48Å; W67-I86 HydrophobicContact CZ2-CD1 3.66Å; W67-I86 HydrophobicContact CZ2-CG1 4.48Å; W67-I86 PolarHBondContact N-O 2.77Å; W67-I86 PolarHBondContact O-N 2.9Å; K84-I86 HydrophobicContact CG-CD1 4.39Å; K84-I86 HydrophobicContact CG-CG1 4.36Å
87K86.2Confident70.2Confident94 Ų9473 Ų7341%0.40939%0.386SS..EExtended strand (participates in β ladder)trans-77.1126.5176.1-172.1176.5171.7179.20109.8Y66 D90Y66-K87 HydrophobicContact CD1-CB 3.77Å; Y66-K87 HydrophobicContact CD1-CG 4.19Å; Y66-K87 HydrophobicContact CE1-CB 3.62Å; Y66-K87 HydrophobicContact CE1-CD 4.15Å; Y66-K87 HydrophobicContact CE1-CG 3.79Å; K87-D90 VanDerWaalsContact NZ-CG 3.25Å; K87-D90 IonicContact NZ-OD2 2.67Å; K87-D90 PolarHBondContact NZ-OD2 2.78Å
88L85.9Confident70Confident27 Ų2775.3 Ų75.314%0.14140%0.4CS..EExtended strand (participates in β ladder)trans-101.3-45.9177.1-65.4175.8000112.3L65 W67 F100 L113 F124L65-L88 HydrophobicContact CB-CB 4.5Å; L65-L88 HydrophobicContact CD2-CB 3.99Å; L65-L88 HydrophobicContact CD2-CD1 4.14Å; L65-L88 HydrophobicContact CG-CB 4.14Å; L65-L88 HydrophobicContact CG-CD1 4.3Å; L65-L88 PolarHBondContact O-N 3.31Å; W67-L88 HydrophobicContact CB-CD1 3.83Å; W67-L88 HydrophobicContact CB-CG 4.43Å; W67-L88 VanDerWaalsContact CD1-CD2 3.42Å; W67-L88 HydrophobicContact CG-CD1 4.06Å; W67-L88 HydrophobicContact CG-CD2 4.48Å; W67-L88 HydrophobicContact CG-CG 4.33Å; L88-F100 HydrophobicContact CB-CD1 4.19Å; L88-F100 HydrophobicContact CB-CE1 3.92Å; L88-F100 HydrophobicContact CB-CZ 4.18Å; L88-F100 HydrophobicContact CD1-CD1 4.45Å; L88-F100 HydrophobicContact CD1-CE1 3.83Å; L88-F100 HydrophobicContact CD1-CZ 4.49Å; L88-F100 HydrophobicContact CD2-CE1 4.06Å; L88-F100 HydrophobicContact CD2-CZ 3.87Å; L88-F100 HydrophobicContact CG-CE1 4.14Å; L88-F100 HydrophobicContact CG-CZ 4.4Å; L88-L113 HydrophobicContact CD2-CD2 3.71Å; L88-F124 HydrophobicContact CD1-CD1 3.94Å; L88-F124 HydrophobicContact CD1-CE1 3.64Å
89L83.6Confident70.8Confident8 Ų878.5 Ų78.54%0.04241%0.413CS..EExtended strand (participates in β ladder)trans-134.5137.8-173.7-16857.3000110.6F53 C55 N64 L65 V97 F100F53-L89 HydrophobicContact CB-CD2 4.47Å; C55-L89 WeakPolarHBondContact SG-CD2 3.49Å; N64-L89 CarbonylContact C-O 3.53Å; N64-L89 VanDerWaalsContact CA-O 3.28Å; N64-L89 WeakPolarHBondContact CA-O 3.23Å; L65-L89 HydrophobicContact CB-CB 3.76Å; L65-L89 HydrophobicContact CD2-CB 4.2Å; L65-L89 PolarHBondContact N-O 2.85Å; L65-L89 PolarHBondContact O-N 3.03Å; L89-V97 HydrophobicContact CD1-CB 4.14Å; L89-V97 HydrophobicContact CD1-CG1 4.1Å; L89-V97 WeakPolarHBondContact CD1-O 3.46Å; L89-F100 HydrophobicContact CB-CB 4.27Å; L89-F100 HydrophobicContact CD1-CB 4.07Å; L89-F100 HydrophobicContact CD2-CB 3.84Å; L89-F100 HydrophobicContact CG-CB 4.28Å
90D82.1Confident72.1Confident64 Ų6477 Ų7734%0.34241%0.407SS..  trans-105.7105.6169.4-165-24.8000109.5N64 K87 F92 S96N64-D90 WeakPolarHBondContact OD1-CA 3.35Å; N64-D90 PolarHBondContact OD1-OD1 3.23Å; K87-D90 VanDerWaalsContact NZ-CG 3.25Å; K87-D90 IonicContact NZ-OD2 2.67Å; K87-D90 PolarHBondContact NZ-OD2 2.78Å; D90-F92 PolarHBondContact O-N 3.15Å; D90-F92 WeakPolarHBondContact OD1-CB 3.31Å; D90-F92 PolarHBondContact OD1-N 2.84Å; D90-S96 WeakPolarHBondContact O-CB 3.41Å
91C79.3Confident73.9Confident4 Ų475.5 Ų75.53%0.02740%0.398CS..  trans-86.623.6178-62.80000112.9C55 Q63C55-C91 HydrophobicContact CB-CB 3.67Å; C55-C91 WeakPolarHBondContact CB-SG 3.39Å; C55-C91 VanDerWaalsContact SG-CA 3.57Å; C55-C91 WeakPolarHBondContact SG-CB 3.24Å; C55-C91 CovalentContact SG-SG 2.03Å; C55-C91 PolarHBondContact SG-SG 3.24Å; Q63-C91 HydrophobicContact CB-CB 4.12Å; Q63-C91 WeakPolarHBondContact O-CB 3.38Å; Q63-C91 PolarHBondContact O-SG 2.77Å
92F75Confident75.7Confident133 Ų13372.9 Ų72.958%0.58338%0.384SS*.  trans-95.5126-178.4-172.3-104.7000113.1D90 S96D90-F92 PolarHBondContact O-N 3.15Å; D90-F92 WeakPolarHBondContact OD1-CB 3.31Å; D90-F92 PolarHBondContact OD1-N 2.84Å; F92-S96 WeakPolarHBondContact O-CB 3.38Å
93G63.9Low77.5Confident35 Ų3572.3 Ų72.336%0.36137%0.367SS..SBendtrans85.2162.4171.300000115.1K95 S96G93-K95 PolarHBondContact O-N 3.41Å; G93-S96 PolarHBondContact O-N 2.85Å; G93-S96 PolarHBondContact O-OG 3.19Å
94N60.5Low78.9Confident139 Ų13970.7 Ų70.774%0.74336%0.359SS*.THydrogen-bonded Turntrans-71.7-8-174.4-67.5-7.8000114.5
95K60Low79.9Confident212 Ų21265.2 Ų65.292%0.92234%0.338SS*.THydrogen-bonded Turntrans-107.87.3178.5-64-174.1178.9-178.20112.9G93G93-K95 PolarHBondContact O-N 3.41Å
96S61.2Low80.4Confident29 Ų2965.7 Ų65.720%0.20334%0.336CS..SBendtrans-71.9147.717848.90000110.9D90 F92 G93 T98D90-S96 WeakPolarHBondContact O-CB 3.41Å; F92-S96 WeakPolarHBondContact O-CB 3.38Å; G93-S96 PolarHBondContact O-N 2.85Å; G93-S96 PolarHBondContact O-OG 3.19Å; S96-T98 PolarHBondContact O-N 2.94Å; S96-T98 VanDerWaalsContact O-N 3.16Å
97V64.8Low80.6Confident97 Ų9769.9 Ų69.959%0.58835%0.353SS*.  trans-58117.7165.8175.60000107.2L89 E99L89-V97 HydrophobicContact CD1-CB 4.14Å; L89-V97 HydrophobicContact CD1-CG1 4.1Å; L89-V97 WeakPolarHBondContact CD1-O 3.46Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 WeakPolarHBondContact CG1-O 3.01Å
98T78.4Confident80.6Confident57 Ų5767.2 Ų67.235%0.3535%0.345SS..  trans-82.3-9.9-175.951.30000112.9I54 C55 S96I54-T98 CarbonylContact C-O 3.54Å; I54-T98 VanDerWaalsContact CA-O 3.32Å; I54-T98 WeakPolarHBondContact CA-O 3.32Å; C55-T98 PolarHBondContact N-O 2.87Å; S96-T98 PolarHBondContact O-N 2.94Å; S96-T98 VanDerWaalsContact O-N 3.16Å
99E85.7Confident80.4Confident113 Ų11374.7 Ų74.753%0.52838%0.379SS..EExtended strand (participates in β ladder)trans-141.1141.4-175.463.9-175.4-161.100113.3F53 V97F53-E99 CarbonylContact O-C 3.56Å; F53-E99 VanDerWaalsContact O-CA 3.22Å; F53-E99 WeakPolarHBondContact O-CA 3.37Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 WeakPolarHBondContact CG1-O 3.01Å
100F88.6Confident80.5Confident43 Ų4378.5 Ų78.519%0.18940%0.399CS..EExtended strand (participates in β ladder)trans-130.9119.7172.4-179.9-104.8000109.2F53 L65 L88 L89 L102 L113F53-F100 HydrophobicContact CB-CB 4.42Å; F53-F100 HydrophobicContact CD2-CD1 4.12Å; F53-F100 PolarHBondContact N-O 2.98Å; F53-F100 PolarHBondContact O-N 3.2Å; L65-F100 HydrophobicContact CD2-CD1 4.26Å; L88-F100 HydrophobicContact CB-CD1 4.19Å; L88-F100 HydrophobicContact CB-CE1 3.92Å; L88-F100 HydrophobicContact CB-CZ 4.18Å; L88-F100 HydrophobicContact CD1-CD1 4.45Å; L88-F100 HydrophobicContact CD1-CE1 3.83Å; L88-F100 HydrophobicContact CD1-CZ 4.49Å; L88-F100 HydrophobicContact CD2-CE1 4.06Å; L88-F100 HydrophobicContact CD2-CZ 3.87Å; L88-F100 HydrophobicContact CG-CE1 4.14Å; L88-F100 HydrophobicContact CG-CZ 4.4Å; L89-F100 HydrophobicContact CB-CB 4.27Å; L89-F100 HydrophobicContact CD1-CB 4.07Å; L89-F100 HydrophobicContact CD2-CB 3.84Å; L89-F100 HydrophobicContact CG-CB 4.28Å; F100-L102 HydrophobicContact CD1-CB 4.36Å; F100-L102 HydrophobicContact CE1-CB 3.78Å; F100-L102 HydrophobicContact CZ-CB 4.49Å; F100-L113 HydrophobicContact CZ-CD2 3.89Å
101V91.5Very high80.4Confident80 Ų8080.3 Ų80.349%0.48542%0.422SS..EExtended strand (participates in β ladder)trans-101.5123.2178.3-175.40000108.6N50 L51 I52N50-V101 HydrophobicContact CB-CG1 4.21Å; L51-V101 WeakPolarHBondContact O-CA 3.42Å; I52-V101 HydrophobicContact CG1-CG1 4.29Å; I52-V101 HydrophobicContact CG1-CG2 4.27Å; I52-V101 HydrophobicContact CG2-CG2 4.31Å
102L93.1Very high80.7Confident4 Ų482.9 Ų82.92%0.02144%0.44CS..EExtended strand (participates in β ladder)trans-121.5117.7176.8174.863.2000109.4L51 F100 L113 P114 F116 F124L51-L102 HydrophobicContact CB-CB 4.32Å; L51-L102 HydrophobicContact CD1-CD2 4.19Å; L51-L102 PolarHBondContact N-O 2.92Å; L51-L102 PolarHBondContact O-N 3.44Å; F100-L102 HydrophobicContact CD1-CB 4.36Å; F100-L102 HydrophobicContact CE1-CB 3.78Å; F100-L102 HydrophobicContact CZ-CB 4.49Å; L102-L113 HydrophobicContact CD1-CB 4.3Å; L102-L113 HydrophobicContact CD1-CD1 3.98Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.4Å; L102-P114 HydrophobicContact CD1-CG 4.47Å; L102-P114 HydrophobicContact CD2-CG 3.71Å; L102-F116 HydrophobicContact CD2-CE2 4.14Å; L102-F116 HydrophobicContact CD2-CZ 4Å; L102-F116 HydrophobicContact CG-CE2 4.4Å; L102-F124 HydrophobicContact CD2-CE1 3.85Å; L102-F124 HydrophobicContact CD2-CZ 3.66Å
103K93.2Very high81.4Confident126 Ų12678.1 Ų78.155%0.54842%0.421SS..EExtended strand (participates in β ladder)trans-76.3128.8172.7-168.2172.4-176.5176.70110.1S105K103-S105 PolarHBondContact O-N 2.78Å
104V92.1Very high82.7Confident0 Ų076.5 Ų76.50%040%0.404CS..  trans-71.1111.8173.3179.30000107.7A45 G48 D49 L51 F116 L142A45-V104 HydrophobicContact CB-CG1 4.36Å; A45-V104 HydrophobicContact CB-CG2 3.89Å; G48-V104 WeakPolarHBondContact CA-O 3.47Å; G48-V104 PolarHBondContact N-O 3.28Å; D49-V104 HydrophobicContact CB-CB 4.38Å; D49-V104 HydrophobicContact CB-CG2 4.22Å; D49-V104 PolarHBondContact O-N 3.02Å; L51-V104 HydrophobicContact CD1-CG2 4.03Å; L51-V104 HydrophobicContact CD2-CG2 4.15Å; L51-V104 HydrophobicContact CG-CG2 3.76Å; V104-F116 HydrophobicContact CB-CD2 4.49Å; V104-F116 HydrophobicContact CG1-CB 4.04Å; V104-F116 HydrophobicContact CG1-CD1 4.07Å; V104-F116 HydrophobicContact CG1-CD2 4.09Å; V104-F116 HydrophobicContact CG1-CG 3.8Å; V104-F116 HydrophobicContact CG2-CE2 4.49Å; V104-F116 HydrophobicContact CG2-CZ 4.34Å; V104-L142 HydrophobicContact CG1-CD1 3.71Å
105S90.5Very high84.2Confident26 Ų2672.4 Ų72.418%0.18239%0.386CS..  trans-145.9141.8-178.8-179.60000110.4E47 K103 F107 F116E47-S105 VanDerWaalsContact OE1-CA 3.31Å; E47-S105 WeakPolarHBondContact OE1-CA 3.13Å; K103-S105 PolarHBondContact O-N 2.78Å; S105-F107 PolarHBondContact O-N 2.85Å; S105-F107 VanDerWaalsContact OG-C 3.23Å; S105-F107 PolarHBondContact OG-N 2.83Å; S105-F107 PolarHBondContact OG-O 2.93Å; S105-F116 PolarHBondContact O-N 2.88Å
106R88.9Confident85.7Confident50 Ų5062.3 Ų62.319%0.18934%0.342CS..SBendtrans-65.2-29.4165.6-72.6172.4-172.6-165.310.2112.1E47 P108 S115 F116 L142E47-R106 PolarHBondContact OE1-N 2.97Å; E47-R106 PolarHBondContact OE2-N 3.04Å; R106-P108 WeakPolarHBondContact O-CD 3.22Å; R106-S115 WeakPolarHBondContact O-CB 3.43Å; R106-F116 WeakPolarHBondContact CA-O 3.13Å; R106-F116 WeakPolarHBondContact CG-O 3.4Å; R106-L142 HydrophobicContact CG-CD2 4.05Å
107F87.4Confident87Confident126 Ų12664.9 Ų64.955%0.55335%0.351SS*.SBendtrans-123.582.7-176.1-54.1-72.3000109.5S105 E212S105-F107 PolarHBondContact O-N 2.85Å; S105-F107 VanDerWaalsContact OG-C 3.23Å; S105-F107 PolarHBondContact OG-N 2.83Å; S105-F107 PolarHBondContact OG-O 2.93Å; F107-E212 HydrophobicContact CE2-CG 4.45Å; F107-E212 HydrophobicContact CZ-CB 4.47Å; F107-E212 HydrophobicContact CZ-CG 4.29Å
108P86.4Confident88Confident39 Ų3962.9 Ų62.925%0.25334%0.341SS..  trans-67.5138.4175.628.2-33.6000110.1R106 I110 L113R106-P108 WeakPolarHBondContact O-CD 3.22Å; P108-I110 PolarHBondContact O-N 2.67Å; P108-L113 HydrophobicContact CB-CB 4Å
109E82.2Confident88.2Confident183 Ų18367.8 Ų67.886%0.85536%0.36SS*.SBendtrans-65.9-26.1177.2-64.7176.6-169.400112.3
110I85.1Confident88.3Confident89 Ų8966.7 Ų66.746%0.45636%0.357SS..SBendtrans-110.5119.9-177.9-58.4169.7000108.7P108 S112 L113P108-I110 PolarHBondContact O-N 2.67Å; I110-S112 VanDerWaalsContact CG2-OG 3.32Å; I110-S112 WeakPolarHBondContact CG2-OG 3.15Å; I110-S112 PolarHBondContact O-N 2.87Å; I110-L113 HydrophobicContact CB-CD1 3.93Å; I110-L113 HydrophobicContact CB-CG 3.97Å; I110-L113 HydrophobicContact CD1-CD1 4.11Å; I110-L113 HydrophobicContact CG1-CD1 4.42Å; I110-L113 HydrophobicContact CG2-CG 4.26Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 2.81Å
111A81.5Confident88.5Confident101 Ų10165.6 Ų65.684%0.83535%0.354SS*.THydrogen-bonded Turntrans-62.6-15.8-175.100000115.4
112S84.6Confident88.6Confident58 Ų5862 Ų6241%0.40633%0.332SS..THydrogen-bonded Turntrans-88.3-5.2175.962.60000113.8W67 I110W67-S112 VanDerWaalsContact CE2-O 3.29Å; W67-S112 VanDerWaalsContact CZ2-O 3.25Å; W67-S112 WeakPolarHBondContact CZ2-O 3.4Å; W67-S112 PolarHBondContact NE1-O 2.03Å; I110-S112 VanDerWaalsContact CG2-OG 3.32Å; I110-S112 WeakPolarHBondContact CG2-OG 3.15Å; I110-S112 PolarHBondContact O-N 2.87Å
113L89.7Confident88.6Confident34 Ų3463.1 Ų63.118%0.17834%0.336CS..SBendtrans-90.7154.1175.6-63.9-177000110.9L88 F100 L102 P108 I110L88-L113 HydrophobicContact CD2-CD2 3.71Å; F100-L113 HydrophobicContact CZ-CD2 3.89Å; L102-L113 HydrophobicContact CD1-CB 4.3Å; L102-L113 HydrophobicContact CD1-CD1 3.98Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.4Å; P108-L113 HydrophobicContact CB-CB 4Å; I110-L113 HydrophobicContact CB-CD1 3.93Å; I110-L113 HydrophobicContact CB-CG 3.97Å; I110-L113 HydrophobicContact CD1-CD1 4.11Å; I110-L113 HydrophobicContact CG1-CD1 4.42Å; I110-L113 HydrophobicContact CG2-CG 4.26Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 2.81Å
114P91.2Very high88.5Confident1 Ų157.1 Ų57.11%0.00631%0.31CS..PPolyproline II helixtrans-66.8136.9179.226-33.8000111.8W67 L102 F116 V122W67-P114 HydrophobicContact CD2-CB 3.95Å; W67-P114 HydrophobicContact CD2-CG 4.23Å; W67-P114 HydrophobicContact CE3-CB 3.69Å; W67-P114 HydrophobicContact CE3-CG 4.42Å; W67-P114 HydrophobicContact CG-CG 4.47Å; W67-P114 HydrophobicContact CH2-CB 4.18Å; W67-P114 HydrophobicContact CZ2-CB 4.39Å; W67-P114 HydrophobicContact CZ3-CB 3.83Å; L102-P114 HydrophobicContact CD1-CG 4.47Å; L102-P114 HydrophobicContact CD2-CG 3.71Å; P114-F116 HydrophobicContact CB-CE2 4.24Å; P114-F116 HydrophobicContact CB-CZ 4.5Å; P114-F116 HydrophobicContact CG-CE2 3.78Å; P114-F116 HydrophobicContact CG-CZ 4Å; P114-V122 HydrophobicContact CB-CB 4.41Å; P114-V122 HydrophobicContact CB-CG1 3.56Å; P114-V122 HydrophobicContact CB-CG2 3.94Å; P114-V122 HydrophobicContact CG-CG1 3.96Å
115S91.2Very high88.5Confident52 Ų5257.4 Ų57.436%0.36431%0.312SS..PPolyproline II helixtrans-87.5123.2162.756.30000109.1R106 H117R106-S115 WeakPolarHBondContact O-CB 3.43Å; S115-H117 PolarHBondContact OG-NE2 3.16Å
116F91.9Very high88.3Confident1 Ų156.3 Ų56.30%0.00431%0.305CS..PPolyproline II helixtrans-88.2124.2-178.4-70.5-95.5000110.3L51 L102 V104 S105 R106 P114 V122 F124 V140 L142L51-F116 HydrophobicContact CD1-CE1 4.25Å; L51-F116 HydrophobicContact CD1-CZ 3.82Å; L102-F116 HydrophobicContact CD2-CE2 4.14Å; L102-F116 HydrophobicContact CD2-CZ 4Å; L102-F116 HydrophobicContact CG-CE2 4.4Å; V104-F116 HydrophobicContact CB-CD2 4.49Å; V104-F116 HydrophobicContact CG1-CB 4.04Å; V104-F116 HydrophobicContact CG1-CD1 4.07Å; V104-F116 HydrophobicContact CG1-CD2 4.09Å; V104-F116 HydrophobicContact CG1-CG 3.8Å; V104-F116 HydrophobicContact CG2-CE2 4.49Å; V104-F116 HydrophobicContact CG2-CZ 4.34Å; S105-F116 PolarHBondContact O-N 2.88Å; R106-F116 WeakPolarHBondContact CA-O 3.13Å; R106-F116 WeakPolarHBondContact CG-O 3.4Å; P114-F116 HydrophobicContact CB-CE2 4.24Å; P114-F116 HydrophobicContact CB-CZ 4.5Å; P114-F116 HydrophobicContact CG-CE2 3.78Å; P114-F116 HydrophobicContact CG-CZ 4Å; F116-V122 HydrophobicContact CD1-CB 4.14Å; F116-V122 HydrophobicContact CD1-CG2 3.6Å; F116-V122 HydrophobicContact CE1-CB 3.74Å; F116-V122 HydrophobicContact CE1-CG1 4.27Å; F116-V122 HydrophobicContact CE1-CG2 3.68Å; F116-V122 HydrophobicContact CG-CG2 4.14Å; F116-V122 HydrophobicContact CZ-CB 4.35Å; F116-V122 HydrophobicContact CZ-CG1 4.4Å; F116-V122 HydrophobicContact CZ-CG2 4.28Å; F116-F124 HydrophobicContact CZ-CZ 4.27Å; F116-V140 HydrophobicContact CD1-CG1 4.25Å; F116-V140 HydrophobicContact CE1-CB 3.96Å; F116-V140 HydrophobicContact CE1-CG1 3.68Å; F116-L142 HydrophobicContact CB-CB 4.36Å; F116-L142 HydrophobicContact CB-CD2 4.45Å
117H89.5Confident88Confident83 Ų8357.3 Ų57.338%0.38431%0.311SS..  trans-118.6149.5174.6-61-73.1000109.9S115 E119 I120S115-H117 PolarHBondContact OG-NE2 3.16Å; H117-E119 PolarHBondContact O-N 2.7Å; H117-I120 HydrophobicContact CB-CB 4.45Å; H117-I120 PolarHBondContact O-N 3.25Å
118S85.1Confident87.6Confident54 Ų5452.7 Ų52.738%0.37830%0.295SS..SBendtrans-64.3-22.4-177.848.60000114
119E83.2Confident87.3Confident160 Ų16054.7 Ų54.775%0.74831%0.306SS*.SBendtrans-99.2-22.5-176.5-63.6177.7-17200113H117H117-E119 PolarHBondContact O-N 2.7Å
120I87.7Confident87.3Confident91 Ų9147 Ų4747%0.46727%0.271SS..SBendtrans-117.2108.5-171.5-56.1175.1000108.9H117H117-I120 HydrophobicContact CB-CB 4.45Å; H117-I120 PolarHBondContact O-N 3.25Å
121P92Very high87.3Confident20 Ų2042.8 Ų42.813%0.1325%0.249CC..  trans-63143.8171.124.6-34.3000111.8Y123 S139 V140 K141P121-Y123 HydrophobicContact CB-CE1 3.94Å; P121-Y123 HydrophobicContact CG-CE1 3.9Å; P121-Y123 HydrophobicContact CG-CE2 4.06Å; P121-Y123 VanDerWaalsContact CG-CZ 3.42Å; P121-Y123 WeakPolarHBondContact CG-OH 3.16Å; P121-S139 VanDerWaalsContact CB-OG 3.31Å; P121-S139 WeakPolarHBondContact CB-OG 3.25Å; P121-V140 WeakPolarHBondContact CA-O 3.47Å; P121-K141 HydrophobicContact CB-CG 3.8Å
122V93.4Very high87.4Confident4 Ų443.9 Ų43.92%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-94.6132.5168.9177.60000108.6W67 P114 F116 F124 S139 V140W67-V122 HydrophobicContact CE3-CG1 4.36Å; P114-V122 HydrophobicContact CB-CB 4.41Å; P114-V122 HydrophobicContact CB-CG1 3.56Å; P114-V122 HydrophobicContact CB-CG2 3.94Å; P114-V122 HydrophobicContact CG-CG1 3.96Å; F116-V122 HydrophobicContact CD1-CB 4.14Å; F116-V122 HydrophobicContact CD1-CG2 3.6Å; F116-V122 HydrophobicContact CE1-CB 3.74Å; F116-V122 HydrophobicContact CE1-CG1 4.27Å; F116-V122 HydrophobicContact CE1-CG2 3.68Å; F116-V122 HydrophobicContact CG-CG2 4.14Å; F116-V122 HydrophobicContact CZ-CB 4.35Å; F116-V122 HydrophobicContact CZ-CG1 4.4Å; F116-V122 HydrophobicContact CZ-CG2 4.28Å; V122-F124 HydrophobicContact CB-CE2 4.43Å; V122-F124 HydrophobicContact CG1-CE2 3.83Å; V122-F124 HydrophobicContact CG1-CZ 3.89Å; V122-S139 WeakPolarHBondContact O-CA 3.4Å; V122-V140 PolarHBondContact N-O 3.17Å; V122-V140 PolarHBondContact O-N 2.9Å
123Y93.4Very high87.3Confident27 Ų2747.9 Ų47.911%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-108132.3-177.3-55.1-68.6000111.4W67 T68 P71 Q74 P121 L138 S139W67-Y123 CarbonylContact C-O 3.47Å; W67-Y123 VanDerWaalsContact CA-O 3.24Å; W67-Y123 WeakPolarHBondContact CA-O 3.46Å; T68-Y123 PolarHBondContact N-O 3.17Å; T68-Y123 WeakPolarHBondContact O-CB 3.49Å; T68-Y123 PolarHBondContact O-N 2.96Å; P71-Y123 VanDerWaalsContact CA-CE2 3.44Å; P71-Y123 HydrophobicContact CB-CE2 3.8Å; Q74-Y123 HydrophobicContact CB-CD1 3.92Å; Q74-Y123 HydrophobicContact CB-CE1 4.47Å; Q74-Y123 HydrophobicContact CB-CG 3.89Å; Q74-Y123 VanDerWaalsContact CD-CE1 3.5Å; Q74-Y123 HydrophobicContact CG-CD1 3.71Å; Q74-Y123 HydrophobicContact CG-CE1 4.4Å; Q74-Y123 HydrophobicContact CG-CG 4.07Å; P121-Y123 HydrophobicContact CB-CE1 3.94Å; P121-Y123 HydrophobicContact CG-CE1 3.9Å; P121-Y123 HydrophobicContact CG-CE2 4.06Å; P121-Y123 VanDerWaalsContact CG-CZ 3.42Å; P121-Y123 WeakPolarHBondContact CG-OH 3.16Å; Y123-L138 CarbonylContact C-O 3.54Å; Y123-L138 WeakPolarHBondContact CA-O 3.2Å; Y123-S139 WeakPolarHBondContact CE1-OG 3.23Å
124F92.6Very high87Confident0 Ų049.5 Ų49.50%026%0.258CS..EExtended strand (participates in β ladder)trans-111130.7171.4-57.1-93.6000109.3W29 L51 F53 L65 Y66 W67 L88 L102 F116 V122 R137 L138 V140W29-F124 HydrophobicContact CH2-CB 4.06Å; W29-F124 HydrophobicContact CZ3-CB 4.39Å; L51-F124 HydrophobicContact CD1-CE2 4.12Å; L51-F124 HydrophobicContact CD1-CZ 4Å; F53-F124 HydrophobicContact CE1-CB 4.45Å; F53-F124 HydrophobicContact CE1-CD1 4.28Å; F53-F124 HydrophobicContact CE1-CG 4.22Å; F53-F124 HydrophobicContact CE2-CD1 4.23Å; F53-F124 AromaticContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CZ 4.35Å; F53-F124 HydrophobicContact CZ-CB 4.49Å; F53-F124 AromaticContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD2 4.06Å; F53-F124 AromaticContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE2 4.19Å; F53-F124 AromaticContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CZ 4.05Å; L65-F124 HydrophobicContact CD1-CB 3.87Å; L65-F124 HydrophobicContact CD1-CD1 4Å; L65-F124 HydrophobicContact CD1-CG 4.36Å; L65-F124 HydrophobicContact CG-CD1 4.44Å; Y66-F124 CarbonylContact O-C 3.5Å; Y66-F124 VanDerWaalsContact O-CA 3.23Å; Y66-F124 WeakPolarHBondContact O-CA 3.19Å; W67-F124 HydrophobicContact CB-CD1 3.95Å; W67-F124 HydrophobicContact CB-CE1 3.98Å; L88-F124 HydrophobicContact CD1-CD1 3.94Å; L88-F124 HydrophobicContact CD1-CE1 3.64Å; L102-F124 HydrophobicContact CD2-CE1 3.85Å; L102-F124 HydrophobicContact CD2-CZ 3.66Å; F116-F124 HydrophobicContact CZ-CZ 4.27Å; V122-F124 HydrophobicContact CB-CE2 4.43Å; V122-F124 HydrophobicContact CG1-CE2 3.83Å; V122-F124 HydrophobicContact CG1-CZ 3.89Å; F124-R137 CarbonylContact O-C 3.52Å; F124-R137 VanDerWaalsContact O-CA 3.24Å; F124-R137 WeakPolarHBondContact O-CA 3.45Å; F124-L138 HydrophobicContact CB-CB 4.2Å; F124-L138 HydrophobicContact CD2-CD2 4.19Å; F124-L138 PolarHBondContact N-O 3.3Å; F124-L138 PolarHBondContact O-N 3.48Å; F124-V140 HydrophobicContact CD2-CG2 3.92Å; F124-V140 HydrophobicContact CE2-CB 4.12Å; F124-V140 HydrophobicContact CE2-CG2 3.55Å
125V90.6Very high86.6Confident6 Ų650.7 Ų50.74%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-136.5144.4-175.1-63.60000110.7Y66 V73 Q74 R137Y66-V125 WeakPolarHBondContact CD2-O 3.45Å; Y66-V125 PolarHBondContact N-O 3.15Å; Y66-V125 PolarHBondContact O-N 2.9Å; V73-V125 HydrophobicContact CG1-CG2 3.99Å; Q74-V125 HydrophobicContact CB-CG1 4.34Å; Q74-V125 HydrophobicContact CG-CG1 4.24Å; V125-R137 HydrophobicContact CG1-CB 4.09Å
126A87.4Confident86.4Confident3 Ų348.2 Ų48.23%0.02525%0.247CC..  trans-80.2176.7169.500000111.4W29 C131 F136W29-A126 HydrophobicContact CZ2-CB 4.09Å; A126-C131 HydrophobicContact CB-CB 4.35Å; A126-F136 HydrophobicContact CB-CB 3.93Å; A126-F136 HydrophobicContact CB-CD1 3.29Å; A126-F136 HydrophobicContact CB-CE1 3.85Å; A126-F136 HydrophobicContact CB-CG 3.7Å; A126-F136 PolarHBondContact N-O 2.83Å
127Q82Confident86.3Confident71 Ų7151 Ų5133%0.33226%0.258SS..  trans-56.4145.4170.4-173.8164.411.500111.3Y66 V129 I130 C131Y66-Q127 HydrophobicContact CE2-CB 4.46Å; Q127-V129 VanDerWaalsContact C-N 3.32Å; Q127-V129 PolarHBondContact O-N 3.23Å; Q127-V129 VanDerWaalsContact O-N 3.11Å; Q127-I130 PolarHBondContact O-N 3.36Å; Q127-C131 PolarHBondContact O-N 3.16Å
128S78.7Confident86.5Confident30 Ų3047.1 Ų47.121%0.2124%0.24CC..Hα-helixtrans-47.7-47.9-166.652.40000114.6C77 I130 C131 Q132C77-S128 WeakPolarHBondContact O-CA 3.2Å; C77-S128 WeakPolarHBondContact O-CB 3.31Å; S128-I130 PolarHBondContact O-N 3.27Å; S128-C131 PolarHBondContact O-N 3.47Å; S128-Q132 WeakPolarHBondContact O-CB 3.43Å; S128-Q132 VanDerWaalsContact O-CG 3.28Å; S128-Q132 WeakPolarHBondContact O-CG 3.32Å; S128-Q132 PolarHBondContact O-N 3.24Å
129V80.6Confident86.9Confident80 Ų8044.6 Ų44.649%0.48522%0.222SC..Hα-helixtrans-58.1-47.3-179.3-175.70000111.7Q127 Q133Q127-V129 VanDerWaalsContact C-N 3.32Å; Q127-V129 PolarHBondContact O-N 3.23Å; Q127-V129 VanDerWaalsContact O-N 3.11Å; V129-Q133 WeakPolarHBondContact O-CB 3.23Å; V129-Q133 VanDerWaalsContact O-CG 3.27Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3Å; V129-Q133 VanDerWaalsContact O-N 3.14Å
130I81.5Confident87.4Confident22 Ų2237 Ų3711%0.11319%0.187CC..Hα-helixtrans-77.7-37.3-176.2-47-178.6000110.7F61 S62 Q63 Q127 S128 Q132 Q133 N134 F136F61-I130 HydrophobicContact CB-CD1 4.36Å; S62-I130 VanDerWaalsContact O-CD1 3.24Å; S62-I130 WeakPolarHBondContact O-CD1 3.44Å; Q63-I130 HydrophobicContact CG-CD1 3.81Å; Q127-I130 PolarHBondContact O-N 3.36Å; S128-I130 PolarHBondContact O-N 3.27Å; I130-Q132 VanDerWaalsContact C-N 3.33Å; I130-Q132 PolarHBondContact O-N 2.87Å; I130-Q133 PolarHBondContact O-N 3.49Å; I130-N134 HydrophobicContact CG2-CB 4.48Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 2.81Å; I130-F136 HydrophobicContact CB-CD1 4.43Å; I130-F136 HydrophobicContact CG2-CB 4.47Å; I130-F136 HydrophobicContact CG2-CD1 3.62Å; I130-F136 HydrophobicContact CG2-CE1 4.35Å
131C85.8Confident87.7Confident1 Ų136 Ų361%0.00718%0.179CC..Hα-helixtrans-59.1-44.7175.1-177.10000111.2C77 A126 Q127 S128 N135 F136C77-C131 HydrophobicContact CB-CB 3.5Å; C77-C131 VanDerWaalsContact CB-CB 3.5Å; C77-C131 WeakPolarHBondContact CB-SG 3.14Å; C77-C131 WeakPolarHBondContact SG-CB 3.46Å; C77-C131 PolarHBondContact SG-O 3.41Å; C77-C131 VanDerWaalsContact SG-O 3.36Å; C77-C131 CovalentContact SG-SG 2.04Å; C77-C131 PolarHBondContact SG-SG 2.82Å; A126-C131 HydrophobicContact CB-CB 4.35Å; Q127-C131 PolarHBondContact O-N 3.16Å; S128-C131 PolarHBondContact O-N 3.47Å; C131-N135 VanDerWaalsContact O-CA 3.29Å; C131-N135 WeakPolarHBondContact O-CA 3.41Å; C131-N135 PolarHBondContact O-N 3.37Å; C131-N135 VanDerWaalsContact O-N 3.11Å; C131-F136 PolarHBondContact O-N 3.25Å
132Q84.2Confident87.7Confident124 Ų12435.3 Ų35.358%0.57917%0.174SC*.Hα-helixtrans-69-43.5178.9-71.6177.5-14.800112.6K76 C77 S128 I130K76-Q132 PolarHBondContact O-NE2 3.37Å; K76-Q132 VanDerWaalsContact O-NE2 3.17Å; C77-Q132 HydrophobicContact CB-CB 4.46Å; C77-Q132 HydrophobicContact CB-CG 3.43Å; C77-Q132 VanDerWaalsContact CB-CG 3.43Å; S128-Q132 WeakPolarHBondContact O-CB 3.43Å; S128-Q132 VanDerWaalsContact O-CG 3.28Å; S128-Q132 WeakPolarHBondContact O-CG 3.32Å; S128-Q132 PolarHBondContact O-N 3.24Å; I130-Q132 VanDerWaalsContact C-N 3.33Å; I130-Q132 PolarHBondContact O-N 2.87Å
133Q82.7Confident87.4Confident142 Ų14239.4 Ų39.466%0.66419%0.194SC*.Hα-helixtrans-73.8-41-176-72.5175.6-10.500113.1V129 I130V129-Q133 WeakPolarHBondContact O-CB 3.23Å; V129-Q133 VanDerWaalsContact O-CG 3.27Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3Å; V129-Q133 VanDerWaalsContact O-N 3.14Å; I130-Q133 PolarHBondContact O-N 3.49Å
134N81.5Confident86.7Confident68 Ų6840.3 Ų40.336%0.36420%0.204SC..Hα-helixtrans-113.913.1-169-62.2-28.5000113.4A31 I130 F136A31-N134 HydrophobicContact CB-CB 3.91Å; A31-N134 WeakPolarHBondContact CB-ND2 3.37Å; I130-N134 HydrophobicContact CG2-CB 4.48Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 2.81Å; N134-F136 HydrophobicContact CB-CB 4.43Å; N134-F136 PolarHBondContact O-N 2.83Å
135N84.8Confident85.3Confident25 Ų2544.2 Ų44.213%0.13423%0.225CC..THydrogen-bonded Turntrans51.638.4-175.6-17341.9000112.4N39 N41 C131 R137N39-N135 PolarHBondContact OD1-ND2 2.79Å; N41-N135 PolarHBondContact ND2-ND2 2.79Å; N41-N135 PolarHBondContact ND2-OD1 3.43Å; C131-N135 VanDerWaalsContact O-CA 3.29Å; C131-N135 WeakPolarHBondContact O-CA 3.41Å; C131-N135 PolarHBondContact O-N 3.37Å; C131-N135 VanDerWaalsContact O-N 3.11Å; N135-R137 PolarHBondContact O-N 3.23Å; N135-R137 VanDerWaalsContact OD1-CZ 3.29Å; N135-R137 PolarHBondContact OD1-NE 3.39Å; N135-R137 PolarHBondContact OD1-NH2 3.37Å; N135-R137 VanDerWaalsContact OD1-NH2 3.16Å
136F86.2Confident83.8Confident0 Ų050.2 Ų50.20%026%0.257CS..  trans-84.772-166.6-162.2-169000111W29 F36 Q63 A126 I130 C131 N134W29-F136 HydrophobicContact CB-CE2 4.5Å; W29-F136 HydrophobicContact CB-CZ 4.16Å; W29-F136 AromaticContact CD1-CZ 3.42Å; W29-F136 VanDerWaalsContact CD1-CZ 3.42Å; W29-F136 HydrophobicContact CD2-CD2 4.37Å; W29-F136 HydrophobicContact CD2-CE1 4.47Å; W29-F136 AromaticContact CD2-CE2 3.34Å; W29-F136 HydrophobicContact CD2-CE2 3.34Å; W29-F136 AromaticContact CD2-CZ 3.41Å; W29-F136 HydrophobicContact CD2-CZ 3.41Å; W29-F136 VanDerWaalsContact CD2-CZ 3.41Å; W29-F136 AromaticContact CE2-CE2 3.51Å; W29-F136 AromaticContact CE2-CZ 3.41Å; W29-F136 VanDerWaalsContact CE2-CZ 3.41Å; W29-F136 HydrophobicContact CE3-CD2 4.4Å; W29-F136 AromaticContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CZ 4.13Å; W29-F136 HydrophobicContact CG-CE1 4.46Å; W29-F136 AromaticContact CG-CE2 3.81Å; W29-F136 HydrophobicContact CG-CE2 3.81Å; W29-F136 AromaticContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CG-CZ 3.41Å; W29-F136 VanDerWaalsContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CH2-CD2 4.23Å; W29-F136 HydrophobicContact CH2-CE2 4.07Å; W29-F136 HydrophobicContact CZ2-CD2 4.18Å; W29-F136 AromaticContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CZ 4.11Å; W29-F136 HydrophobicContact CZ3-CD2 4.34Å; W29-F136 AromaticContact CZ3-CE2 3.93Å; W29-F136 HydrophobicContact CZ3-CE2 3.93Å; W29-F136 AromaticContact NE1-CE1 3.84Å; W29-F136 AromaticContact NE1-CZ 3.41Å; W29-F136 WeakPolarHBondContact O-CZ 3.49Å; F36-F136 HydrophobicContact CD1-CD2 4.08Å; F36-F136 AromaticContact CD2-CD2 3.62Å; F36-F136 HydrophobicContact CD2-CD2 3.62Å; F36-F136 AromaticContact CD2-CE2 3.85Å; F36-F136 HydrophobicContact CD2-CE2 3.85Å; F36-F136 AromaticContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CE2 4.28Å; F36-F136 AromaticContact CE2-CD2 3.37Å; F36-F136 HydrophobicContact CE2-CD2 3.37Å; F36-F136 AromaticContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CZ 4.41Å; F36-F136 AromaticContact CG-CD2 3.99Å; F36-F136 HydrophobicContact CG-CD2 3.99Å; F36-F136 AromaticContact CZ-CD2 3.48Å; F36-F136 HydrophobicContact CZ-CD2 3.48Å; F36-F136 VanDerWaalsContact CZ-CD2 3.48Å; F36-F136 AromaticContact CZ-CE2 3.47Å; F36-F136 HydrophobicContact CZ-CE2 3.47Å; F36-F136 VanDerWaalsContact CZ-CE2 3.47Å; Q63-F136 HydrophobicContact CB-CE1 4.16Å; Q63-F136 HydrophobicContact CG-CE1 4.19Å; A126-F136 HydrophobicContact CB-CB 3.93Å; A126-F136 HydrophobicContact CB-CD1 3.29Å; A126-F136 HydrophobicContact CB-CE1 3.85Å; A126-F136 HydrophobicContact CB-CG 3.7Å; A126-F136 PolarHBondContact N-O 2.83Å; I130-F136 HydrophobicContact CB-CD1 4.43Å; I130-F136 HydrophobicContact CG2-CB 4.47Å; I130-F136 HydrophobicContact CG2-CD1 3.62Å; I130-F136 HydrophobicContact CG2-CE1 4.35Å; C131-F136 PolarHBondContact O-N 3.25Å; N134-F136 HydrophobicContact CB-CB 4.43Å; N134-F136 PolarHBondContact O-N 2.83Å
137R90.1Very high81.9Confident61 Ų6159.3 Ų59.323%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-147.6148.5-174.963.8-167.3178.1175.5-6.7110.1N41 Q74 L75 F124 V125 N135N41-R137 WeakPolarHBondContact CB-O 3.01Å; N41-R137 WeakPolarHBondContact ND2-CG 3.13Å; N41-R137 PolarHBondContact ND2-O 3.21Å; Q74-R137 HydrophobicContact CG-CB 4.08Å; Q74-R137 HydrophobicContact CG-CG 4.31Å; Q74-R137 WeakPolarHBondContact O-CD 3.31Å; Q74-R137 PolarHBondContact O-NH1 2.83Å; L75-R137 PolarHBondContact O-NH1 2.8Å; F124-R137 CarbonylContact O-C 3.52Å; F124-R137 VanDerWaalsContact O-CA 3.24Å; F124-R137 WeakPolarHBondContact O-CA 3.45Å; V125-R137 HydrophobicContact CG1-CB 4.09Å; N135-R137 PolarHBondContact O-N 3.23Å; N135-R137 VanDerWaalsContact OD1-CZ 3.29Å; N135-R137 PolarHBondContact OD1-NE 3.39Å; N135-R137 PolarHBondContact OD1-NH2 3.37Å; N135-R137 VanDerWaalsContact OD1-NH2 3.16Å
138L92.8Very high80Confident0 Ų061.3 Ų61.30%031%0.308CS..EExtended strand (participates in β ladder)trans-138.1142.1-177-174.379.5000108.7I27 W29 N41 I43 F53 Y123 F124 V140I27-L138 HydrophobicContact CD1-CD2 4.11Å; I27-L138 HydrophobicContact CG1-CD2 4.17Å; W29-L138 HydrophobicContact CZ3-CB 4.43Å; N41-L138 CarbonylContact O-C 3.55Å; N41-L138 VanDerWaalsContact O-CA 3.31Å; N41-L138 WeakPolarHBondContact O-CA 3.1Å; N41-L138 VanDerWaalsContact O-CD1 3.26Å; N41-L138 WeakPolarHBondContact O-CD1 3.05Å; I43-L138 HydrophobicContact CD1-CD1 3.7Å; I43-L138 HydrophobicContact CD1-CD2 3.94Å; I43-L138 HydrophobicContact CD1-CG 4.26Å; I43-L138 HydrophobicContact CG1-CD1 3.97Å; F53-L138 HydrophobicContact CE1-CD2 3.96Å; F53-L138 HydrophobicContact CZ-CD2 4.2Å; Y123-L138 CarbonylContact C-O 3.54Å; Y123-L138 WeakPolarHBondContact CA-O 3.2Å; F124-L138 HydrophobicContact CB-CB 4.2Å; F124-L138 HydrophobicContact CD2-CD2 4.19Å; F124-L138 PolarHBondContact N-O 3.3Å; F124-L138 PolarHBondContact O-N 3.48Å; L138-V140 HydrophobicContact CD2-CG2 4.03Å; L138-V140 HydrophobicContact CG-CG2 4.34Å
139S93.4Very high77.8Confident2 Ų267.3 Ų67.31%0.01434%0.337CS..EExtended strand (participates in β ladder)trans-115.7130.2170.6-172.80000108.2N41 D42 I43 P121 V122 Y123N41-S139 PolarHBondContact O-N 2.78Å; D42-S139 CarbonylContact C-O 3.58Å; D42-S139 WeakPolarHBondContact CA-O 3.37Å; D42-S139 WeakPolarHBondContact OD1-CB 3.24Å; I43-S139 PolarHBondContact N-O 2.71Å; P121-S139 VanDerWaalsContact CB-OG 3.31Å; P121-S139 WeakPolarHBondContact CB-OG 3.25Å; V122-S139 WeakPolarHBondContact O-CA 3.4Å; Y123-S139 WeakPolarHBondContact CE1-OG 3.23Å
140V94.4Very high75.5Confident0 Ų069.6 Ų69.60%035%0.352CS..EExtended strand (participates in β ladder)trans-115.7124.3175.1-1780000108.7I43 A45 L51 F116 P121 V122 F124 L138I43-V140 HydrophobicContact CB-CG2 4.27Å; I43-V140 CarbonylContact O-C 3.58Å; I43-V140 WeakPolarHBondContact O-CA 3.38Å; A45-V140 HydrophobicContact CB-CG1 4.1Å; L51-V140 HydrophobicContact CD1-CB 4.48Å; L51-V140 HydrophobicContact CD1-CG1 4.14Å; L51-V140 HydrophobicContact CD1-CG2 3.98Å; L51-V140 HydrophobicContact CD2-CG1 4.35Å; L51-V140 HydrophobicContact CD2-CG2 4.45Å; F116-V140 HydrophobicContact CD1-CG1 4.25Å; F116-V140 HydrophobicContact CE1-CB 3.96Å; F116-V140 HydrophobicContact CE1-CG1 3.68Å; P121-V140 WeakPolarHBondContact CA-O 3.47Å; V122-V140 PolarHBondContact N-O 3.17Å; V122-V140 PolarHBondContact O-N 2.9Å; F124-V140 HydrophobicContact CD2-CG2 3.92Å; F124-V140 HydrophobicContact CE2-CB 4.12Å; F124-V140 HydrophobicContact CE2-CG2 3.55Å; L138-V140 HydrophobicContact CD2-CG2 4.03Å; L138-V140 HydrophobicContact CG-CG2 4.34Å
141K93.5Very high73Confident70 Ų7074.5 Ų74.530%0.30438%0.378SS..EExtended strand (participates in β ladder)trans-112.9129.6178.8-70.5173.4-176.1174.20109.4I43 Y44 A45 P121 M143I43-K141 PolarHBondContact O-N 3.15Å; Y44-K141 WeakPolarHBondContact CA-O 3.4Å; Y44-K141 HydrophobicContact CD1-CB 3.88Å; Y44-K141 HydrophobicContact CD1-CD 4.36Å; Y44-K141 HydrophobicContact CE1-CB 4.04Å; Y44-K141 HydrophobicContact CE1-CD 3.66Å; Y44-K141 HydrophobicContact CE1-CG 4.47Å; A45-K141 PolarHBondContact N-O 3.49Å; P121-K141 HydrophobicContact CB-CG 3.8Å; K141-M143 PolarHBondContact O-N 3.39Å
142L92.4Very high70.4Confident6 Ų683 Ų833%0.03142%0.423CS..EExtended strand (participates in β ladder)trans-73.2122.9172.5-176.167.8000109.1A45 E47 V104 R106 F116 S144A45-L142 WeakPolarHBondContact O-CA 3.39Å; E47-L142 HydrophobicContact CB-CD1 4.33Å; V104-L142 HydrophobicContact CG1-CD1 3.71Å; R106-L142 HydrophobicContact CG-CD2 4.05Å; F116-L142 HydrophobicContact CB-CB 4.36Å; F116-L142 HydrophobicContact CB-CD2 4.45Å; L142-S144 PolarHBondContact O-N 3.31Å
143M87.2Confident67.9Low89 Ų8983.6 Ų83.644%0.43843%0.426SS..PPolyproline II helixtrans-64130.9172.9-74.4-172.3146.800109.7Y44 A45 T46 K141Y44-M143 HydrophobicContact CG-CE 4.35Å; A45-M143 PolarHBondContact O-N 3.21Å; T46-M143 HydrophobicContact CG2-CB 4.15Å; T46-M143 HydrophobicContact CG2-SD 4.22Å; K141-M143 PolarHBondContact O-N 3.39Å
144S77.6Confident65.4Low46 Ų4683.2 Ų83.232%0.32243%0.427SS..PPolyproline II helixtrans-77.3129171.2-177.70000109.1L142 N146 K147L142-S144 PolarHBondContact O-N 3.31Å; S144-N146 PolarHBondContact O-N 3.07Å; S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 VanDerWaalsContact O-N 3.11Å
145D64.2Low63Low83 Ų8386.8 Ų86.844%0.44445%0.451SS..G310 helixtrans-55.1-19.4177-60.3-42.4000113K147D145-K147 PolarHBondContact O-N 3.39Å
146N57.9Low60.5Low131 Ų13189.1 Ų89.170%0.70147%0.467SS*.G310 helixtrans-75.90.6179.2-71.9-8.4000114.7S144S144-N146 PolarHBondContact O-N 3.07Å
147K49.5Very low58Low194 Ų19493.6 Ų93.684%0.84349%0.494SS*.G310 helixtrans-104.32.9177.2-77.8-166.7175.3-173.90114.6S144 D145S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 VanDerWaalsContact O-N 3.11Å; D145-K147 PolarHBondContact O-N 3.39Å
148I41.8Very low55.3Low113 Ų11397.5 Ų97.558%0.57952%0.515SS*.SBendtrans-103.4129.1176.4-53.7172.2000106.6
149D31Very low52.7Low156 Ų156105.7 Ų105.783%0.83455%0.553SS**SBendtrans80.359-174.7-69.7-22.4000118.6
150V32.5Very low49.9Very low129 Ų129113.4 Ų113.478%0.78259%0.593SS**SBendtrans-136.7101.3133.2-174.50000108.7
151N28.7Very low46.9Very low124 Ų124119.9 Ų119.966%0.66362%0.624SS**  trans66.8130.2166.1-70.7-8.8000119Q153N151-Q153 HydrophobicContact CB-CB 4.25Å; N151-Q153 PolarHBondContact O-N 2.87Å
152N32.1Very low44Very low179 Ų179121.9 Ų121.996%0.95764%0.642SS**SBendtrans-56.950.2149-81.1-28.4000112.8
153Q32.1Very low41.1Very low138 Ų138130.6 Ų130.665%0.64568%0.679SS**SBendtrans-145.9106172.1-74.1-175.4-12.600109N151N151-Q153 HydrophobicContact CB-CB 4.25Å; N151-Q153 PolarHBondContact O-N 2.87Å
154I28.7Very low38.4Very low134 Ų134135.5 Ų135.569%0.68770%0.698SS**  trans57.674.2140.2-47168.1000113T156I154-T156 HydrophobicContact CG2-CG2 3.8Å; I154-T156 PolarHBondContact O-N 3Å
155V33Very low36Very low142 Ų142141.1 Ų141.186%0.86172%0.719SS**  trans-7395.1141.51790000105
156T31.6Very low34.4Very low75 Ų75142.6 Ų142.646%0.4674%0.736SS.*  trans-31.7127.9-176.631.90000114I154 E158I154-T156 HydrophobicContact CG2-CG2 3.8Å; I154-T156 PolarHBondContact O-N 3Å; T156-E158 PolarHBondContact O-N 3.04Å
157T33.2Very low33.1Very low93 Ų93146.9 Ų146.957%0.57174%0.742SS**THydrogen-bonded Turntrans-51.515.5162.3-43.30000114.4Q161T157-Q161 HydrophobicContact CG2-CG 4.33Å
158E34.5Very low32Very low143 Ų143146 Ų14667%0.66874%0.738SS**THydrogen-bonded Turntrans-99.5-23.5-177-64.9-170.5159.800113.8T156 T162T156-E158 PolarHBondContact O-N 3.04Å; E158-T162 WeakPolarHBondContact O-CG2 3.41Å; E158-T162 PolarHBondContact O-OG1 2.95Å
159E37.5Very low31.4Very low172 Ų172150.8 Ų150.880%0.80476%0.755SS**THydrogen-bonded Turntrans-89.4-18172.1-86.4-170.7144.100113.7
160L35.4Very low31.3Very low165 Ų165148.3 Ų148.386%0.86474%0.742SS**THydrogen-bonded Turntrans-89.2-10176.2-137.583.2000113.5
161Q31.3Very low31.1Very low136 Ų136149.4 Ų149.464%0.63674%0.743SS**THydrogen-bonded Turntrans-112.9-10.6-178.4-67.7-166.6-0.300114.9T157T157-Q161 HydrophobicContact CG2-CG 4.33Å
162T30.8Very low31.2Very low112 Ų112153.4 Ų153.469%0.68776%0.755SS**THydrogen-bonded Turntrans-87.1-3.4-178.644.80000115.2E158E158-T162 WeakPolarHBondContact O-CG2 3.41Å; E158-T162 PolarHBondContact O-OG1 2.95Å
163K33.3Very low30.9Very low188 Ų188148.3 Ų148.382%0.81773%0.733SS**THydrogen-bonded Turntrans-932.8171.8-118177.6-176.2176.50115.3
164K30.1Very low30.7Very low193 Ų193148.5 Ų148.584%0.83974%0.739SS**SBendtrans-88.93.4178.3-106.7179.6178.2176.60115.2
165H27.3Very low30.9Very low163 Ų163147.6 Ų147.676%0.75574%0.74SS**  trans-142.682.9176.6-99.1-54.3000113.1
166S30.9Very low30.6Very low115 Ų115145.4 Ų145.480%0.80473%0.731SS**  trans-154.382.3145.9-84.20000106.5
167R30.1Very low30.5Very low221 Ų221149.1 Ų149.183%0.83475%0.746SS**  58.7105.698.4-74.1-172.4178.3170.51.5111.8
168K26.8Very low30.1Very low175 Ų175149.6 Ų149.676%0.76175%0.753SS**  trans19.3109.6144.8-82.1179.9163.9-172.30115.2
169F28.9Very low29.9Very low213 Ų213147.5 Ų147.593%0.93475%0.754SS**  trans-108.1108.6140.6-105.4-89.1000107.3L171F169-L171 PolarHBondContact O-N 2.99Å
170D29.3Very low29.4Very low105 Ų105147.7 Ų147.756%0.56176%0.755SS**  trans-63.1127.4178.1-71.2-47.2000110.2F172D170-F172 PolarHBondContact O-N 3.24Å
171L27.5Very low29.1Very low151 Ų151147 Ų14779%0.79175%0.752SS**  trans-4.8107138.8-135.785000114.8F169F169-L171 PolarHBondContact O-N 2.99Å
172F29.9Very low28.9Very low209 Ų209148.9 Ų148.992%0.91776%0.757SS**  trans-10783.4152.2-81.5-77.7000108.7D170D170-F172 PolarHBondContact O-N 3.24Å
173S27.1Very low28.6Very low72 Ų72150.2 Ų150.250%0.50377%0.766SS.*  trans-74.3140.4151.641.90000109.4
174N28Very low28.4Very low142 Ų142147.4 Ų147.476%0.75976%0.764SS**  trans92.7104.9153.7-59.4-10.2000118.4
175T31.4Very low28.3Very low115 Ų115146.7 Ų146.771%0.70676%0.764SS**  82.2103.4118.7-45.10000117.9
176S27.2Very low28.4Very low96 Ų96145.4 Ų145.467%0.67176%0.761SS**  trans72.3147.8140.572.80000119.6
177I31Very low28.2Very low152 Ų152148.4 Ų148.478%0.77976%0.763SS**  trans94.382.4163.3-45.2160.2000115.2
178S24.6Very low28.2Very low103 Ų103146.2 Ų146.272%0.7276%0.761SS**  16.9116.2122.2166.80000118.1
179S28.8Very low28.4Very low99 Ų99146.4 Ų146.469%0.69277%0.765SS**  143128.2112.359.50000111.9
180Q28.6Very low28.4Very low177 Ų177142.7 Ų142.783%0.82775%0.754SS**  trans36.5110.6150-59.7-179.2-1.800117.4
181L28.1Very low28.4Very low151 Ų151145.2 Ų145.279%0.79177%0.767SS**  -170.9128.4123.6-120.386.4000112.2
182K27.1Very low28.5Very low174 Ų174144.1 Ų144.176%0.75776%0.762SS**  trans61.1104.5146.9-71.2179.4-177.4176.70119.7T184K182-T184 PolarHBondContact O-N 2.91Å
183T25.1Very low28.7Very low141 Ų141138.9 Ų138.987%0.86575%0.752SS**  trans-36.8118.114111.80000112.5
184T29.3Very low29.3Very low128 Ų128139 Ų13979%0.78575%0.752SS**  trans-114.4106.6155.812.80000107.5K182 I186K182-T184 PolarHBondContact O-N 2.91Å; T184-I186 PolarHBondContact O-N 3.5Å
185Q27.5Very low29.7Very low178 Ų178137.9 Ų137.983%0.83275%0.746SS**  trans-64.1115.8164.5-73.1176.8-31.500107.8Q187Q185-Q187 PolarHBondContact O-N 3.4Å
186I29.4Very low30.1Very low136 Ų136139.3 Ų139.370%0.69775%0.748SS**  trans-88.193.9166-60.8177000106.2T184 H188T184-I186 PolarHBondContact O-N 3.5Å; I186-H188 PolarHBondContact O-N 3.47Å
187Q27Very low30.7Very low179 Ų179140.6 Ų140.684%0.83675%0.747SS**  trans-70.7100.8168.3-132.5172.2-18.500107.2Q185 H189Q185-Q187 PolarHBondContact O-N 3.4Å; Q187-H189 PolarHBondContact O-N 2.9Å
188H30.3Very low30.9Very low174 Ų174142.1 Ų142.181%0.80674%0.743SS**  trans-82.3109.4166-87-67.3000108.8I186I186-H188 PolarHBondContact O-N 3.47Å
189H30.4Very low31.5Very low179 Ų179143.1 Ų143.183%0.82974%0.74SS**  trans-55.9130.6176.5-158.6-83.9000111Q187 N191Q187-H189 PolarHBondContact O-N 2.9Å; H189-N191 PolarHBondContact O-N 3.11Å
190L28.6Very low32.2Very low136 Ų136144.7 Ų144.771%0.71274%0.737SS**  trans-49.5129165.3-79140.3000110
191N29.6Very low32.7Very low157 Ų157139.8 Ų139.884%0.8471%0.714SS**  trans-113.4108.5151-116.88.6000106.3H189 S193H189-N191 PolarHBondContact O-N 3.11Å; N191-S193 PolarHBondContact O-N 2.9Å; N191-S193 VanDerWaalsContact O-N 3.13Å
192D29.2Very low33.3Very low128 Ų128141.4 Ų141.468%0.68471%0.711SS**  trans-64.3101.7174.7-76.3-44.8000110.2
193S34.1Very low34Very low100 Ų100139 Ų13970%0.69971%0.706SS**  trans-132.813.4159.370.40000112.4N191 N195N191-S193 PolarHBondContact O-N 2.9Å; N191-S193 VanDerWaalsContact O-N 3.13Å; S193-N195 PolarHBondContact O-N 3.31Å
194S39.2Very low35.1Very low73 Ų73135.5 Ų135.551%0.5169%0.685SS.*Hα-helixtrans-81.7-6-171.5520000115.1
195N37.3Very low36Very low119 Ų119135.4 Ų135.464%0.63667%0.674SS**Hα-helixtrans-94.3-10.5-176.5-69.7-26.3000115S193S193-N195 PolarHBondContact O-N 3.31Å
196I40.4Very low36.9Very low145 Ų145134 Ų13474%0.74467%0.667SS**Hα-helixtrans-91.5-26.7175.6-59.5177.4000111.4
197L38.8Very low37.6Very low124 Ų124137.8 Ų137.865%0.64967%0.672SS**Hα-helixtrans-75.1-32.1178.9-154.276.1000112.9N199 Q200 E201L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 3.14Å; L197-Q200 PolarHBondContact O-N 3.1Å; L197-E201 PolarHBondContact O-N 2.93Å
198R36.3Very low38.8Very low183 Ų183131.5 Ų131.569%0.69165%0.648SS**Hα-helixtrans-67.1-26.4-176.6-116.4179.7179.9179.7-0.4114.3
199N36.9Very low39.9Very low124 Ų124125.4 Ų125.466%0.66363%0.625SS**Hα-helixtrans-84.3-20.7177.6-75.7-13.1000113.2L197L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 3.14Å
200Q42.1Very low41.2Very low133 Ų133125.6 Ų125.662%0.62162%0.619SS**Hα-helixtrans-76.6-30.8168.5-93.9179-36.700111.9L197 Y202 N203 T204L197-Q200 PolarHBondContact O-N 3.1Å; Q200-Y202 VanDerWaalsContact C-N 3.32Å; Q200-Y202 PolarHBondContact O-N 2.81Å; Q200-N203 PolarHBondContact O-N 3.37Å; Q200-T204 PolarHBondContact O-N 3.41Å; Q200-T204 PolarHBondContact O-OG1 3.05Å
201E40.8Very low42.7Very low73 Ų73123.7 Ų123.734%0.34161%0.608SS.*Hα-helixtrans-68.3-26.5-179.9-147.7-170.6137.700113.7L197 T204 K205L197-E201 PolarHBondContact O-N 2.93Å; E201-T204 PolarHBondContact O-OG1 3.42Å; E201-K205 WeakPolarHBondContact O-CB 3.36Å; E201-K205 PolarHBondContact O-N 3.13Å; E201-K205 IonicContact OE1-NZ 2.82Å; E201-K205 PolarHBondContact OE1-NZ 3.42Å
202Y40.8Very low44.2Very low185 Ų185120.7 Ų120.773%0.72559%0.589SS**Hα-helixtrans-75.5-33.8177.1-142.2-92.2000112.4Q200Q200-Y202 VanDerWaalsContact C-N 3.32Å; Q200-Y202 PolarHBondContact O-N 2.81Å
203N41.6Very low45.7Very low123 Ų123120.5 Ų120.566%0.65858%0.58SS**Hα-helixtrans-82.5-23.4179.5-74.6-25.9000113.1Q200Q200-N203 PolarHBondContact O-N 3.37Å
204T48Very low47.1Very low68 Ų68121.6 Ų121.642%0.41757%0.568SS.*Hα-helixtrans-84.8-33.1175.552.20000112.8Q200 E201 Q206 R207 S208Q200-T204 PolarHBondContact O-N 3.41Å; Q200-T204 PolarHBondContact O-OG1 3.05Å; E201-T204 PolarHBondContact O-OG1 3.42Å; T204-Q206 VanDerWaalsContact C-N 3.27Å; T204-Q206 PolarHBondContact O-N 3.27Å; T204-R207 PolarHBondContact O-N 3.09Å; T204-R207 VanDerWaalsContact O-N 3.15Å; T204-S208 PolarHBondContact O-N 3.39Å
205K47.1Very low48.3Very low127 Ų127125.2 Ų125.255%0.55258%0.581SS**Hα-helixtrans-60.8-31.3175.6-96.4172.3172.6148.20113.8E201 R207 S208E201-K205 WeakPolarHBondContact O-CB 3.36Å; E201-K205 PolarHBondContact O-N 3.13Å; E201-K205 IonicContact OE1-NZ 2.82Å; E201-K205 PolarHBondContact OE1-NZ 3.42Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 3.06Å; K205-S208 PolarHBondContact O-OG 3.4Å
206Q46.2Very low49.7Very low149 Ų149124.6 Ų124.670%0.69658%0.577SS**Hα-helixtrans-77.4-19.4179.6-150.5168.913.800113.1T204T204-Q206 VanDerWaalsContact C-N 3.27Å; T204-Q206 PolarHBondContact O-N 3.27Å
207R45.6Very low51.2Low215 Ų215122.6 Ų122.681%0.81156%0.564SS**Hα-helixtrans-94-19176.1-153.2173.4-171.5178.31.4112.9T204 K205T204-R207 PolarHBondContact O-N 3.09Å; T204-R207 VanDerWaalsContact O-N 3.15Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 3.06Å
208S52.4Low52.8Low46 Ų46121.5 Ų121.532%0.32256%0.558SS.*Hα-helixtrans-86.2-19.2-178.376.90000114.7T204 K205 W210 I211T204-S208 PolarHBondContact O-N 3.39Å; K205-S208 PolarHBondContact O-OG 3.4Å; S208-W210 VanDerWaalsContact C-N 3.3Å; S208-W210 PolarHBondContact O-N 3.47Å; S208-I211 PolarHBondContact O-N 3.15Å
209S53.6Low54.9Low46 Ų46116.2 Ų116.232%0.32255%0.547SS..Hα-helixtrans-61.1-37.6-176.958.90000112.5I211 E212 Y213S209-I211 VanDerWaalsContact C-N 3.31Å; S209-I211 PolarHBondContact O-N 3.36Å; S209-E212 PolarHBondContact O-N 3.19Å; S209-Y213 WeakPolarHBondContact O-CD2 3.22Å; S209-Y213 VanDerWaalsContact O-CE2 3.24Å; S209-Y213 WeakPolarHBondContact O-CE2 3.02Å
210W56.3Low56.8Low184 Ų184113 Ų11370%0.69754%0.537SS*.Hα-helixtrans-71-22.2-179.2-67.894.3000114.6S208 E212 Y213S208-W210 VanDerWaalsContact C-N 3.3Å; S208-W210 PolarHBondContact O-N 3.47Å; W210-E212 VanDerWaalsContact C-N 3.34Å; W210-Y213 PolarHBondContact O-N 3.48Å
211I60.9Low58.7Low95 Ų95109.6 Ų109.649%0.48753%0.526SS..Hα-helixtrans-71.7-32.4178.9-79.6162000110.9S208 S209 Y213 R214S208-I211 PolarHBondContact O-N 3.15Å; S209-I211 VanDerWaalsContact C-N 3.31Å; S209-I211 PolarHBondContact O-N 3.36Å; I211-Y213 VanDerWaalsContact C-N 3.28Å; I211-Y213 PolarHBondContact O-N 3.42Å; I211-R214 WeakPolarHBondContact O-CB 3.24Å; I211-R214 PolarHBondContact O-N 3Å
212E59.8Low60.6Low95 Ų95111.1 Ų111.144%0.44454%0.536SS..Hα-helixtrans-68.5-27.3178.4-66.6178.5178.700112.3F107 S209 W210 R214F107-E212 HydrophobicContact CE2-CG 4.45Å; F107-E212 HydrophobicContact CZ-CB 4.47Å; F107-E212 HydrophobicContact CZ-CG 4.29Å; S209-E212 PolarHBondContact O-N 3.19Å; W210-E212 VanDerWaalsContact C-N 3.34Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.32Å
213Y62.4Low62.7Low124 Ų124104.6 Ų104.649%0.48652%0.52SS..THydrogen-bonded Turntrans-83.81.5175.9-58.9-80.2000113.7S209 W210 I211 L215 L216 F217S209-Y213 WeakPolarHBondContact O-CD2 3.22Å; S209-Y213 VanDerWaalsContact O-CE2 3.24Å; S209-Y213 WeakPolarHBondContact O-CE2 3.02Å; W210-Y213 PolarHBondContact O-N 3.48Å; I211-Y213 VanDerWaalsContact C-N 3.28Å; I211-Y213 PolarHBondContact O-N 3.42Å; Y213-L215 PolarHBondContact O-N 3.4Å; Y213-L216 HydrophobicContact CD1-CD1 3.67Å; Y213-L216 HydrophobicContact CE1-CD1 4.46Å; Y213-L216 WeakPolarHBondContact O-CB 3.47Å; Y213-L216 PolarHBondContact O-N 3.43Å; Y213-F217 VanDerWaalsContact O-CD2 3.28Å; Y213-F217 WeakPolarHBondContact O-CD2 3.28Å
214R63.3Low64.7Low122 Ų122104.8 Ų104.846%0.4652%0.516SS..Hα-helixtrans-58-34.5-178.3-165.5173.4-177.7-168.4-3.2112.5F17 I211 E212 L216 F217F17-R214 HydrophobicContact CD1-CG 4.32Å; F17-R214 VanDerWaalsContact CD2-NH2 3.32Å; F17-R214 HydrophobicContact CE1-CG 3.39Å; F17-R214 VanDerWaalsContact CG-NH2 3.26Å; F17-R214 HydrophobicContact CZ-CG 3.91Å; I211-R214 WeakPolarHBondContact O-CB 3.24Å; I211-R214 PolarHBondContact O-N 3Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.32Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 3.34Å; R214-F217 PolarHBondContact O-N 2.86Å
215L64.6Low66.4Low149 Ų149107.1 Ų107.178%0.7852%0.52SS*.Hα-helixtrans-66.6-30.1177.8-157.287.7000112.7Y213 P219Y213-L215 PolarHBondContact O-N 3.4Å; L215-P219 WeakPolarHBondContact O-CD 3.33Å
216L65.9Low68.1Low106 Ų106104.9 Ų104.956%0.55552%0.517SS*.Hα-helixtrans-78.2-19-178.8-73.8156.6000113.1Y213 R214 L218 P219 A220Y213-L216 HydrophobicContact CD1-CD1 3.67Å; Y213-L216 HydrophobicContact CE1-CD1 4.46Å; Y213-L216 WeakPolarHBondContact O-CB 3.47Å; Y213-L216 PolarHBondContact O-N 3.43Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 3.34Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 3.47Å; L216-P219 WeakPolarHBondContact O-CD 3.34Å; L216-P219 WeakPolarHBondContact O-CG 3.22Å; L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 3.45Å; L216-A220 VanDerWaalsContact O-N 3.15Å
217F71.3Confident69.9Low104 Ų104102.6 Ų102.646%0.45651%0.509SS..Hα-helixtrans-68.4-31.5178.1-80-81.4000113.1Y213 R214 T221Y213-F217 VanDerWaalsContact O-CD2 3.28Å; Y213-F217 WeakPolarHBondContact O-CD2 3.28Å; R214-F217 PolarHBondContact O-N 2.86Å; F217-T221 WeakPolarHBondContact O-CB 3.44Å; F217-T221 VanDerWaalsContact O-CG2 3.22Å; F217-T221 WeakPolarHBondContact O-CG2 3.39Å; F217-T221 PolarHBondContact O-N 3.06Å; F217-T221 PolarHBondContact O-OG1 3.26Å
218L73.3Confident71.7Confident100 Ų10095.2 Ų95.252%0.52449%0.485SS..Hα-helixtrans-65.5-53.4179.2-134.2101.5000112.7L216 A220 T221 L222L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 3.47Å; L218-A220 VanDerWaalsContact C-N 3.33Å; L218-A220 PolarHBondContact O-N 2.98Å; L218-T221 PolarHBondContact O-N 3.29Å; L218-T221 PolarHBondContact O-OG1 3.22Å; L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 2.89Å
219P79.7Confident73Confident72 Ų7294.5 Ų94.547%0.46849%0.485SS..Hα-helixtrans-65.9-35.3175.424.6-32.2000112L215 L216 L222 A223L215-P219 WeakPolarHBondContact O-CD 3.33Å; L216-P219 WeakPolarHBondContact O-CD 3.34Å; L216-P219 WeakPolarHBondContact O-CG 3.22Å; P219-L222 PolarHBondContact O-N 2.9Å; P219-A223 VanDerWaalsContact O-CB 3.27Å; P219-A223 WeakPolarHBondContact O-CB 3.3Å; P219-A223 PolarHBondContact O-N 2.85Å
220A76.9Confident74.3Confident56 Ų5696.9 Ų96.946%0.46349%0.493SS..Hα-helixtrans-65-43.9177.800000112.5L216 L218 A223 F224L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 3.45Å; L216-A220 VanDerWaalsContact O-N 3.15Å; L218-A220 VanDerWaalsContact C-N 3.33Å; L218-A220 PolarHBondContact O-N 2.98Å; A220-A223 PolarHBondContact O-N 3.32Å; A220-F224 WeakPolarHBondContact O-CB 3.16Å; A220-F224 PolarHBondContact O-N 2.86Å
221T81.8Confident75.4Confident63 Ų6393.8 Ų93.839%0.38749%0.486SS..Hα-helixtrans-68.2-41.3176.352.10000111.6F217 L218 A223 F224 F225F217-T221 WeakPolarHBondContact O-CB 3.44Å; F217-T221 VanDerWaalsContact O-CG2 3.22Å; F217-T221 WeakPolarHBondContact O-CG2 3.39Å; F217-T221 PolarHBondContact O-N 3.06Å; F217-T221 PolarHBondContact O-OG1 3.26Å; L218-T221 PolarHBondContact O-N 3.29Å; L218-T221 PolarHBondContact O-OG1 3.22Å; T221-A223 VanDerWaalsContact C-N 3.35Å; T221-A223 PolarHBondContact O-N 3.4Å; T221-F224 PolarHBondContact O-N 3.48Å; T221-F225 WeakPolarHBondContact O-CD2 3.41Å; T221-F225 PolarHBondContact O-N 2.86Å
222L82.1Confident76.2Confident104 Ų10494.7 Ų94.755%0.54549%0.491SS..Hα-helixtrans-58.5-45.8172.4-81165.6000111.5L218 P219 F224 F225 T226L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 2.89Å; P219-L222 PolarHBondContact O-N 2.9Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.08Å; L222-F225 PolarHBondContact O-N 2.75Å; L222-T226 VanDerWaalsContact O-CG2 3.3Å; L222-T226 WeakPolarHBondContact O-CG2 3.2Å; L222-T226 PolarHBondContact O-N 3.43Å; L222-T226 PolarHBondContact O-OG1 3.33Å
223A84.5Confident76.9Confident48 Ų4894.3 Ų94.340%0.39750%0.495SS..Hα-helixtrans-62.3-38.2175.900000112.4P219 A220 T221 T226 L227P219-A223 VanDerWaalsContact O-CB 3.27Å; P219-A223 WeakPolarHBondContact O-CB 3.3Å; P219-A223 PolarHBondContact O-N 2.85Å; A220-A223 PolarHBondContact O-N 3.32Å; T221-A223 VanDerWaalsContact C-N 3.35Å; T221-A223 PolarHBondContact O-N 3.4Å; A223-T226 WeakPolarHBondContact CA-OG1 3.3Å; A223-T226 PolarHBondContact O-N 3.1Å; A223-T226 PolarHBondContact O-OG1 3.41Å; A223-L227 WeakPolarHBondContact O-CG 3.45Å; A223-L227 PolarHBondContact O-N 3.15Å
224F82.8Confident77.3Confident128 Ų12893.6 Ų93.656%0.56150%0.499SS*.Hα-helixtrans-66.9-42.9176-171.1-104.4000112.1A220 T221 L222 L227 I228A220-F224 WeakPolarHBondContact O-CB 3.16Å; A220-F224 PolarHBondContact O-N 2.86Å; T221-F224 PolarHBondContact O-N 3.48Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.08Å; F224-L227 PolarHBondContact O-N 3.3Å; F224-I228 HydrophobicContact CD1-CD1 3.64Å; F224-I228 HydrophobicContact CE1-CD1 3.26Å; F224-I228 HydrophobicContact CE1-CG1 4.32Å; F224-I228 HydrophobicContact CG-CD1 4.48Å; F224-I228 HydrophobicContact CZ-CD1 3.8Å; F224-I228 WeakPolarHBondContact O-CG1 3.27Å; F224-I228 PolarHBondContact O-N 3.42Å
225F83.4Confident77.6Confident116 Ų11691.1 Ų91.151%0.50950%0.499SS..Hα-helixtrans-67.4-35.3175.6-76-62.7000112.8T10 T221 L222 I228 G229T10-F225 HydrophobicContact CG2-CZ 4.44Å; T221-F225 WeakPolarHBondContact O-CD2 3.41Å; T221-F225 PolarHBondContact O-N 2.86Å; L222-F225 PolarHBondContact O-N 2.75Å; F225-I228 PolarHBondContact O-N 3.36Å; F225-G229 PolarHBondContact O-N 3.43Å
226T83.3Confident77.5Confident80 Ų8085.9 Ų85.949%0.49148%0.482SS..Hα-helixtrans-67.7-40.3174.656.50000111.2L222 A223 G229 I230L222-T226 VanDerWaalsContact O-CG2 3.3Å; L222-T226 WeakPolarHBondContact O-CG2 3.2Å; L222-T226 PolarHBondContact O-N 3.43Å; L222-T226 PolarHBondContact O-OG1 3.33Å; A223-T226 WeakPolarHBondContact CA-OG1 3.3Å; A223-T226 PolarHBondContact O-N 3.1Å; A223-T226 PolarHBondContact O-OG1 3.41Å; T226-G229 PolarHBondContact O-N 2.69Å; T226-I230 WeakPolarHBondContact O-CB 3.45Å; T226-I230 WeakPolarHBondContact O-CD1 3.07Å; T226-I230 WeakPolarHBondContact O-CG1 3.43Å; T226-I230 PolarHBondContact O-N 3.46Å
227L84.6Confident77.4Confident102 Ų10289.4 Ų89.453%0.53449%0.493SS..Hα-helixtrans-61.2-45.3173.6-75.2171.7000112.3A223 F224 I230 Q231A223-L227 WeakPolarHBondContact O-CG 3.45Å; A223-L227 PolarHBondContact O-N 3.15Å; F224-L227 PolarHBondContact O-N 3.3Å; L227-I230 PolarHBondContact O-N 3.39Å; L227-Q231 WeakPolarHBondContact O-CG 3.22Å; L227-Q231 PolarHBondContact O-N 3.24Å
228I82.8Confident77Confident60 Ų6090 Ų9031%0.30851%0.508SS..Hα-helixtrans-62.9-43.3174.7-69.4170.9000110.8F224 F225 I230 Q231 I232F224-I228 HydrophobicContact CD1-CD1 3.64Å; F224-I228 HydrophobicContact CE1-CD1 3.26Å; F224-I228 HydrophobicContact CE1-CG1 4.32Å; F224-I228 HydrophobicContact CG-CD1 4.48Å; F224-I228 HydrophobicContact CZ-CD1 3.8Å; F224-I228 WeakPolarHBondContact O-CG1 3.27Å; F224-I228 PolarHBondContact O-N 3.42Å; F225-I228 PolarHBondContact O-N 3.36Å; I228-I230 PolarHBondContact O-N 3.48Å; I228-Q231 PolarHBondContact O-N 3.33Å; I228-I232 HydrophobicContact CG2-CD1 3.74Å; I228-I232 HydrophobicContact CG2-CG1 4.35Å; I228-I232 VanDerWaalsContact O-CG1 3.28Å; I228-I232 WeakPolarHBondContact O-CG1 3.44Å; I228-I232 PolarHBondContact O-N 2.93Å
229G79.2Confident76.1Confident30 Ų3090 Ų9031%0.30950%0.504SS..Hα-helixtrans-59.6-45.8177.800000112.1F225 T226 I232 V233F225-G229 PolarHBondContact O-N 3.43Å; T226-G229 PolarHBondContact O-N 2.69Å; G229-I232 PolarHBondContact O-N 3.02Å; G229-V233 WeakPolarHBondContact O-CG2 3.42Å; G229-V233 PolarHBondContact O-N 3.03Å
230I82.2Confident74.8Confident96 Ų9690.6 Ų90.649%0.49251%0.511SS..Hα-helixtrans-62.4-44.6176.2-69.4163.6000110.6T226 L227 I228 I232 V233 L234T226-I230 WeakPolarHBondContact O-CB 3.45Å; T226-I230 WeakPolarHBondContact O-CD1 3.07Å; T226-I230 WeakPolarHBondContact O-CG1 3.43Å; T226-I230 PolarHBondContact O-N 3.46Å; L227-I230 PolarHBondContact O-N 3.39Å; I228-I230 PolarHBondContact O-N 3.48Å; I230-I232 VanDerWaalsContact C-N 3.35Å; I230-I232 PolarHBondContact O-N 2.94Å; I230-V233 PolarHBondContact O-N 3.01Å; I230-L234 HydrophobicContact CG2-CD1 3.72Å; I230-L234 HydrophobicContact CG2-CG 4.26Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.35Å; I230-L234 PolarHBondContact O-N 3.17Å
231Q78.5Confident73.9Confident120 Ų12094.1 Ų94.156%0.56152%0.522SS*.Hα-helixtrans-61-41.1176.2-75169.8-9.300112.3L227 I228 L234 C235L227-Q231 WeakPolarHBondContact O-CG 3.22Å; L227-Q231 PolarHBondContact O-N 3.24Å; I228-Q231 PolarHBondContact O-N 3.33Å; Q231-L234 PolarHBondContact O-N 3.4Å; Q231-C235 VanDerWaalsContact O-CB 3.24Å; Q231-C235 WeakPolarHBondContact O-CB 3.47Å; Q231-C235 PolarHBondContact O-N 2.92Å; Q231-C235 PolarHBondContact O-SG 2.9Å
232I77.3Confident72.9Confident114 Ų11494.7 Ų94.759%0.58553%0.528SS*.Hα-helixtrans-64.3-41.9176.6-68.5166000111.1I228 G229 I230 G236I228-I232 HydrophobicContact CG2-CD1 3.74Å; I228-I232 HydrophobicContact CG2-CG1 4.35Å; I228-I232 VanDerWaalsContact O-CG1 3.28Å; I228-I232 WeakPolarHBondContact O-CG1 3.44Å; I228-I232 PolarHBondContact O-N 2.93Å; G229-I232 PolarHBondContact O-N 3.02Å; I230-I232 VanDerWaalsContact C-N 3.35Å; I230-I232 PolarHBondContact O-N 2.94Å; I232-G236 PolarHBondContact O-N 3.12Å
233V75.5Confident71.8Confident87 Ų8793.2 Ų93.253%0.52752%0.52SS..Hα-helixtrans-66.4-45.6178.3173.40000110.9G229 I230 G236 F237G229-V233 WeakPolarHBondContact O-CG2 3.42Å; G229-V233 PolarHBondContact O-N 3.03Å; I230-V233 PolarHBondContact O-N 3.01Å; V233-G236 PolarHBondContact O-N 3.44Å; V233-F237 HydrophobicContact CG1-CD2 4.12Å; V233-F237 HydrophobicContact CG1-CE2 4.36Å; V233-F237 PolarHBondContact O-N 3.24Å
234L71Confident70.5Confident109 Ų10993.3 Ų93.357%0.57152%0.515SS*.Hα-helixtrans-63.4-45.8177.4-71.7171.9000111.8I230 Q231 G236 F237 C238I230-L234 HydrophobicContact CG2-CD1 3.72Å; I230-L234 HydrophobicContact CG2-CG 4.26Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.35Å; I230-L234 PolarHBondContact O-N 3.17Å; Q231-L234 PolarHBondContact O-N 3.4Å; L234-G236 VanDerWaalsContact C-N 3.32Å; L234-G236 PolarHBondContact O-N 2.9Å; L234-F237 PolarHBondContact O-N 3.46Å; L234-C238 PolarHBondContact O-N 3.49Å; L234-C238 VanDerWaalsContact O-N 3.15Å
235C68.8Low69.4Low69 Ų6993.8 Ų93.847%0.46652%0.519SS..Hα-helixtrans-61.9-41.4173.9-73.50000111.2Q231 F237 C238 F239Q231-C235 VanDerWaalsContact O-CB 3.24Å; Q231-C235 WeakPolarHBondContact O-CB 3.47Å; Q231-C235 PolarHBondContact O-N 2.92Å; Q231-C235 PolarHBondContact O-SG 2.9Å; C235-F237 VanDerWaalsContact C-N 3.31Å; C235-F237 PolarHBondContact O-N 3.41Å; C235-C238 PolarHBondContact O-N 3.47Å; C235-F239 HydrophobicContact CB-CD2 4.48Å; C235-F239 HydrophobicContact CB-CE2 4.03Å; C235-F239 WeakPolarHBondContact O-CD2 3.14Å; C235-F239 PolarHBondContact O-N 3.31Å
236G63.8Low68.3Low40 Ų4095.6 Ų95.641%0.41253%0.527SS..Hα-helixtrans-61-35.217700000114I232 V233 L234I232-G236 PolarHBondContact O-N 3.12Å; V233-G236 PolarHBondContact O-N 3.44Å; L234-G236 VanDerWaalsContact C-N 3.32Å; L234-G236 PolarHBondContact O-N 2.9Å
237F63.2Low67.1Low180 Ų18095.9 Ų95.979%0.78953%0.525SS*.Hα-helixtrans-75-29.4175.2-97.9-84.6000113.5V233 L234 C235V233-F237 HydrophobicContact CG1-CD2 4.12Å; V233-F237 HydrophobicContact CG1-CE2 4.36Å; V233-F237 PolarHBondContact O-N 3.24Å; L234-F237 PolarHBondContact O-N 3.46Å; C235-F237 VanDerWaalsContact C-N 3.31Å; C235-F237 PolarHBondContact O-N 3.41Å
238C62.7Low66.1Low115 Ų11595.5 Ų95.578%0.77752%0.523SS*.Hα-helixtrans-82.5-11.6176.5-75.60000114.2L234 C235 S240L234-C238 PolarHBondContact O-N 3.49Å; L234-C238 VanDerWaalsContact O-N 3.15Å; C235-C238 PolarHBondContact O-N 3.47Å; C238-S240 PolarHBondContact O-N 3.21Å
239F53.3Low65Low101 Ų101100.1 Ų100.144%0.44354%0.541SS..SBendtrans-83.7108.3177-77.5-62.7000111.2C235 N241 I243C235-F239 HydrophobicContact CB-CD2 4.48Å; C235-F239 HydrophobicContact CB-CE2 4.03Å; C235-F239 WeakPolarHBondContact O-CD2 3.14Å; C235-F239 PolarHBondContact O-N 3.31Å; F239-N241 PolarHBondContact O-N 3.47Å; F239-I243 HydrophobicContact CB-CB 4.46Å; F239-I243 HydrophobicContact CD1-CB 4.28Å; F239-I243 HydrophobicContact CD1-CD1 3.62Å; F239-I243 HydrophobicContact CD1-CG2 4.02Å; F239-I243 HydrophobicContact CE1-CD1 4.15Å; F239-I243 HydrophobicContact CG-CG2 4.37Å
240S54.2Low63.8Low85 Ų85102.4 Ų102.459%0.59455%0.551SS**  trans-41.6137.1167.7174.50000111.4C238 S242 I243C238-S240 PolarHBondContact O-N 3.21Å; S240-S242 PolarHBondContact O-N 2.85Å; S240-I243 PolarHBondContact O-N 3.47Å
241N57.6Low62.7Low130 Ų130104.7 Ų104.770%0.69556%0.558SS**Hα-helixtrans-44.7-22-176.1-81-24.2000115.1F239 T244 Q245F239-N241 PolarHBondContact O-N 3.47Å; N241-T244 WeakPolarHBondContact CA-OG1 3.28Å; N241-T244 PolarHBondContact O-OG1 3.21Å; N241-Q245 WeakPolarHBondContact O-CG 3.35Å; N241-Q245 PolarHBondContact O-N 3.01Å
242S61.1Low61.6Low75 Ų75106.2 Ų106.252%0.52456%0.563SS.*Hα-helixtrans-66.6-37175.8-174.30000114.1S240 K246S240-S242 PolarHBondContact O-N 2.85Å; S242-K246 PolarHBondContact O-N 3.18Å
243I58.6Low60.5Low73 Ų73109 Ų10937%0.37457%0.57SS.*Hα-helixtrans-80.9-38.5-177.7-65.6166.1000110.7F239 S240 Q245 K246 L247F239-I243 HydrophobicContact CB-CB 4.46Å; F239-I243 HydrophobicContact CD1-CB 4.28Å; F239-I243 HydrophobicContact CD1-CD1 3.62Å; F239-I243 HydrophobicContact CD1-CG2 4.02Å; F239-I243 HydrophobicContact CE1-CD1 4.15Å; F239-I243 HydrophobicContact CG-CG2 4.37Å; S240-I243 PolarHBondContact O-N 3.47Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.22Å; I243-K246 PolarHBondContact O-N 3.13Å; I243-L247 HydrophobicContact CG2-CD1 4.14Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 3.01Å
244T57Low59.3Low49 Ų49109.6 Ų109.630%0.30158%0.577SS.*Hα-helixtrans-60.4-39.7172.618.30000111.4N241 L247 I248N241-T244 WeakPolarHBondContact CA-OG1 3.28Å; N241-T244 PolarHBondContact O-OG1 3.21Å; T244-L247 PolarHBondContact O-N 3.38Å; T244-I248 WeakPolarHBondContact O-CB 3.46Å; T244-I248 WeakPolarHBondContact O-CD1 3.33Å; T244-I248 WeakPolarHBondContact O-CG1 3.4Å; T244-I248 PolarHBondContact O-N 3.48Å
245Q59.1Low58.1Low138 Ų138113 Ų11365%0.64559%0.587SS**Hα-helixtrans-67.8-36.6173.4-73.8-163.414.900113.7N241 I243 K249N241-Q245 WeakPolarHBondContact O-CG 3.35Å; N241-Q245 PolarHBondContact O-N 3.01Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.22Å; Q245-K249 PolarHBondContact O-N 2.86Å
246K59.9Low56.8Low154 Ų154118.2 Ų118.267%0.6761%0.605SS**Hα-helixtrans-64.5-41.1172.6-87.7-177.9176.1177.40111.9S242 I243 K249 C250S242-K246 PolarHBondContact O-N 3.18Å; I243-K246 PolarHBondContact O-N 3.13Å; K246-K249 PolarHBondContact O-N 3.49Å; K246-C250 PolarHBondContact O-N 3.27Å
247L59.7Low55.6Low86 Ų86125.6 Ų125.645%0.4563%0.626SS.*Hα-helixtrans-66.3-44.1176.2-74.6169.6000111.6I243 T244 K249 C250 F251I243-L247 HydrophobicContact CG2-CD1 4.14Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 3.01Å; T244-L247 PolarHBondContact O-N 3.38Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.01Å; L247-C250 WeakPolarHBondContact O-CB 3.44Å; L247-C250 PolarHBondContact O-N 2.83Å; L247-C250 VanDerWaalsContact O-N 3.07Å; L247-F251 HydrophobicContact CB-CE2 4.47Å; L247-F251 WeakPolarHBondContact O-CD2 3.48Å; L247-F251 PolarHBondContact O-N 3.06Å
248I62.5Low54.4Low94 Ų94124.6 Ų124.648%0.48262%0.623SS.*Hα-helixtrans-60.8-37.9175.5-68.1163.4000111.1T244 F251 K252T244-I248 WeakPolarHBondContact O-CB 3.46Å; T244-I248 WeakPolarHBondContact O-CD1 3.33Å; T244-I248 WeakPolarHBondContact O-CG1 3.4Å; T244-I248 PolarHBondContact O-N 3.48Å; I248-F251 PolarHBondContact O-N 3.37Å; I248-K252 HydrophobicContact CG2-CD 4.4Å; I248-K252 WeakPolarHBondContact O-CB 3.49Å; I248-K252 WeakPolarHBondContact O-CG 3.24Å; I248-K252 PolarHBondContact O-N 2.87Å
249K59.6Low52.9Low157 Ų157126.2 Ų126.268%0.68362%0.624SS**Hα-helixtrans-65.3-37.7172.7-93.5-179.3175.9175.10112.8Q245 K246 L247 K253Q245-K249 PolarHBondContact O-N 2.86Å; K246-K249 PolarHBondContact O-N 3.49Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.01Å; K249-K253 PolarHBondContact O-N 3.45Å; K249-K253 VanDerWaalsContact O-N 3.1Å
250C55.1Low52Low79 Ų79129.1 Ų129.153%0.53464%0.644SS.*Hα-helixtrans-67-43.4173.2-91.50000112.4K246 L247 K252 K253 C254K246-C250 PolarHBondContact O-N 3.27Å; L247-C250 WeakPolarHBondContact O-CB 3.44Å; L247-C250 PolarHBondContact O-N 2.83Å; L247-C250 VanDerWaalsContact O-N 3.07Å; C250-K252 PolarHBondContact O-N 2.85Å; C250-K253 PolarHBondContact O-N 3.46Å; C250-C254 PolarHBondContact O-N 3.21Å; C250-C254 PolarHBondContact O-SG 3.1Å
251F57.7Low51Low144 Ų144132.3 Ų132.363%0.63265%0.654SS**Hα-helixtrans-68.8-32.7177.5-75.6-69.5000112.9L247 I248 C254 K255L247-F251 HydrophobicContact CB-CE2 4.47Å; L247-F251 WeakPolarHBondContact O-CD2 3.48Å; L247-F251 PolarHBondContact O-N 3.06Å; I248-F251 PolarHBondContact O-N 3.37Å; F251-C254 PolarHBondContact O-N 3.49Å; F251-K255 PolarHBondContact O-N 2.9Å
252K56Low49.7Very low152 Ų152134.1 Ų134.166%0.66166%0.658SS**Hα-helixtrans-68-33.6171.1-79.8-174.3174.6-175.10112.5I248 C250 K255I248-K252 HydrophobicContact CG2-CD 4.4Å; I248-K252 WeakPolarHBondContact O-CB 3.49Å; I248-K252 WeakPolarHBondContact O-CG 3.24Å; I248-K252 PolarHBondContact O-N 2.87Å; C250-K252 PolarHBondContact O-N 2.85Å; K252-K255 PolarHBondContact O-N 3.41Å
253K53.5Low48.3Very low172 Ų172137.4 Ų137.475%0.74867%0.669SS**Hα-helixtrans-70.5-30.2172.7-79.1-174.8175-173.10113.2K249 C250K249-K253 PolarHBondContact O-N 3.45Å; K249-K253 VanDerWaalsContact O-N 3.1Å; C250-K253 PolarHBondContact O-N 3.46Å
254C50Low46.8Very low100 Ų100141.8 Ų141.868%0.67669%0.688SS**Hα-helixtrans-79.4-17.5175.9-66.80000114C250 F251 H256C250-C254 PolarHBondContact O-N 3.21Å; C250-C254 PolarHBondContact O-SG 3.1Å; F251-C254 PolarHBondContact O-N 3.49Å; C254-H256 VanDerWaalsContact C-N 3.34Å
255K46.6Very low45.7Very low179 Ų179144.2 Ų144.278%0.77870%0.703SS**THydrogen-bonded Turntrans-83.6-1.6175.7-79-171.4174.3-172.50114.8F251 K252F251-K255 PolarHBondContact O-N 2.9Å; K252-K255 PolarHBondContact O-N 3.41Å
256H40.7Very low44.4Very low180 Ų180144.9 Ų144.983%0.83371%0.711SS**THydrogen-bonded Turntrans-109.120.8177.1-93.1-8.4000114.8C254C254-H256 VanDerWaalsContact C-N 3.34Å
257K38.8Very low43Very low195 Ų195146.6 Ų146.685%0.84872%0.721SS**SBendtrans-115.124.5174.6-107-173.5177.5-172.40114.5
258H38.7Very low41.7Very low159 Ų159150.6 Ų150.674%0.73674%0.739SS**  trans-116.123.8-176.4-131.8-65000115.6
259N31.9Very low40.2Very low149 Ų149155.7 Ų155.780%0.79775%0.754SS**SBendtrans-116.3129.5163.8-70.5-4.4000107.8
260N33.7Very low39Very low162 Ų162156.3 Ų156.387%0.86676%0.756SS**  trans96.333.2-176.4-53-3.6000116.8
261L32.9Very low37.9Very low152 Ų152160.3 Ų160.380%0.79677%0.772SS**  trans-9382.8147.3-140.880.5000107.1L263L261-L263 PolarHBondContact O-N 2.96Å
262E31.4Very low36.8Very low168 Ų168162 Ų16279%0.78578%0.782SS**  trans-51.9111.5157.2-100.1179.6154.600106.5Q264E262-Q264 PolarHBondContact O-N 3.3Å
263L30.3Very low35.7Very low144 Ų144159.7 Ų159.775%0.75478%0.782SS**  trans-66.886.3162.5-144.985.7000105.3L261 T265L261-L263 PolarHBondContact O-N 2.96Å; L263-T265 HydrophobicContact CD2-CG2 4.06Å; L263-T265 PolarHBondContact O-N 2.91Å
264Q28.7Very low34.8Very low164 Ų164158.5 Ų158.577%0.76678%0.783SS**  trans-61.483.6160.9-92.5-174.1-9.200107E262 N266E262-Q264 PolarHBondContact O-N 3.3Å; Q264-N266 PolarHBondContact O-N 3.44Å; Q264-N266 VanDerWaalsContact O-N 3.15Å
265T32.7Very low34Very low101 Ų101161.8 Ų161.862%0.6279%0.788SS**  trans-68.4105.6157.946.70000106.6L263 H267L263-T265 HydrophobicContact CD2-CG2 4.06Å; L263-T265 PolarHBondContact O-N 2.91Å; T265-H267 PolarHBondContact O-N 3.28Å
266N31.9Very low33.2Very low152 Ų152163.8 Ų163.881%0.81379%0.791SS**  trans-29.894.5172.5-65.3-42.1000113.8Q264Q264-N266 PolarHBondContact O-N 3.44Å; Q264-N266 VanDerWaalsContact O-N 3.15Å
267H31.4Very low32.9Very low190 Ų190164.8 Ų164.888%0.8879%0.789SS**  trans-107.266.3155.6-88.9-62.4000108.8T265T265-H267 PolarHBondContact O-N 3.28Å
268M30.7Very low32.7Very low169 Ų169162.6 Ų162.683%0.83379%0.785SS**  trans-132.8103.9152.4-91-140.699.500105.4
269Y31.9Very low32.4Very low202 Ų202161.7 Ų161.779%0.79279%0.786SS**SBendtrans-168.5106135.6-116.8-93.8000109.7
270K34.7Very low32.4Very low170 Ų170162.5 Ų162.574%0.73978%0.782SS**  trans66.192.9148.6-66.8-177.7177.8174.40118.9H272K270-H272 PolarHBondContact O-N 3.02Å
271N32Very low32.2Very low162 Ų162161.6 Ų161.687%0.86678%0.778SS**  trans-61.5116.3132.2-77.4-24.1000109
272H34.6Very low32.3Very low180 Ų180159.7 Ų159.783%0.83378%0.777SS**  trans-148.1136.6134.2-100.2-44.1000109.2K270K270-H272 PolarHBondContact O-N 3.02Å
273P32.7Very low32.2Very low103 Ų103156.7 Ų156.767%0.66978%0.775SS**  trans-89.6-172.3-16438.5-34.3000111.5
274I34.3Very low32.3Very low147 Ų147157.9 Ų157.975%0.75478%0.78SS**  trans98.5115.9177-51.8156.4000109
275E34Very low32.2Very low169 Ų169158.3 Ų158.379%0.7978%0.782SS**  cis-161161.320.1-129.3157-17800110.2
276R30Very low32.1Very low221 Ų221158.3 Ų158.383%0.83479%0.786SS**  trans-50.1146.2167-64.1156.4-173.6165.92.1109.8
277Y32.8Very low31.9Very low202 Ų202156.4 Ų156.479%0.79278%0.78SS**  178.4124.3120.5-94.1-70.1000110.2
278L35.7Very low31.9Very low148 Ų148157.6 Ų157.678%0.77578%0.778SS**  trans64.991.5147.1-65.8153.4000116.4
279N32.5Very low31.8Very low140 Ų140159.1 Ų159.175%0.74978%0.78SS**  60.2115.166.2-141.811.6000114.6
280K31.3Very low31.8Very low166 Ų166157.2 Ų157.272%0.72278%0.783SS**  trans86.3125.2144.2-98.8-178.9172.1175.10121.6
281N30.2Very low31.6Very low144 Ų144154.7 Ų154.777%0.7778%0.784SS**  trans80.9125.9151.6-53.8-15.9000113.8
282S34Very low31.5Very low112 Ų112153.1 Ų153.178%0.78378%0.78SS**  cis-160.3148.840.546.10000112.2
283S29.1Very low31.3Very low105 Ų105149.4 Ų149.473%0.73477%0.772SS**  trans-40147.6160.648.50000115.5
284I32.5Very low31Very low169 Ų169154 Ų15487%0.86778%0.781SS**  -162.9130.6121.9-89.1146.1000109
285Q28Very low30.7Very low173 Ų173157.5 Ų157.581%0.80879%0.787SS**  trans-70.8147175.5-71.6156.8-53.200112
286S30.4Very low30.4Very low101 Ų101157.8 Ų157.871%0.70679%0.788SS**  trans-155.3107.613562.80000109.9
287T26.3Very low30.2Very low111 Ų111153.2 Ų153.268%0.68179%0.787SS**  trans-93.6111.8-178-31.40000108.7
288Y31.7Very low30Very low216 Ų216151.3 Ų151.385%0.84779%0.788SS**  trans-135.490.2160.2-57.3-77000108.4
289K30.3Very low29.4Very low201 Ų201149 Ų14987%0.87478%0.784SS**  trans-95106.2164.5-87.1-176.8174.6178.40107.6
290L30Very low29.2Very low161 Ų161147.2 Ų147.284%0.84378%0.783SS**PPolyproline II helixtrans-75.8136.5163.1-125.383.1000108.6
291P31.9Very low29.1Very low118 Ų118145.2 Ų145.277%0.76679%0.785SS**PPolyproline II helixtrans-78.8124.7-177.630.9-31000110.8
292V29.6Very low28.9Very low128 Ų128145.2 Ų145.278%0.77679%0.785SS**PPolyproline II helixtrans-74.7123.7166.3177.90000108.1K294V292-K294 PolarHBondContact O-N 2.89Å
293P30.2Very low28.5Very low103 Ų103145 Ų14567%0.66978%0.783SS**PPolyproline II helixtrans-70.3118.2171.80.513.2000109.1Y295P293-Y295 PolarHBondContact O-N 3.48Å
294K26.3Very low28.3Very low200 Ų200145.1 Ų145.187%0.8778%0.783SS**PPolyproline II helixtrans-71.3119.3165.7-75.9178.1174.9179.20108.5V292V292-K294 PolarHBondContact O-N 2.89Å
295Y28Very low28Very low220 Ų220149.4 Ų149.486%0.86379%0.788SS**PPolyproline II helixtrans-86.7118.8161.3-85.3-88.4000109P293P293-Y295 PolarHBondContact O-N 3.48Å
296E27.3Very low28Very low175 Ų175150.1 Ų150.182%0.81879%0.789SS**PPolyproline II helixtrans-79135.6165.5-78.3-17815300109.9I298E296-I298 PolarHBondContact O-N 3.25Å
297P25.4Very low27.7Very low124 Ų124150.2 Ų150.281%0.80579%0.789SS**  trans-82.3108.6172.431.4-28000109.2S299P297-S299 PolarHBondContact O-N 2.83Å; P297-S299 VanDerWaalsContact O-N 3.1Å
298I29Very low27.7Very low162 Ų162154.4 Ų154.483%0.83180%0.798SS**  trans-72.1104.4168.2-62.1174.2000107.9E296E296-I298 PolarHBondContact O-N 3.25Å
299S23.9Very low27.5Very low99 Ų99149.8 Ų149.869%0.69280%0.795SS**  trans-82160.6164.978.70000111P297P297-S299 PolarHBondContact O-N 2.83Å; P297-S299 VanDerWaalsContact O-N 3.1Å
300S26.9Very low27.3Very low104 Ų104145.2 Ų145.273%0.72779%0.788SS**  trans84.6128.8-176.986.80000112
301V30.5Very low26.9Very low123 Ų123145.2 Ų145.275%0.74579%0.788SS**  cis-152.4144.134.4173.90000109.2
302N25.2Very low26.7Very low145 Ų145145.1 Ų145.178%0.77579%0.79SS**  trans-21.5134.7160.2-58.8-37.7000115.7
303S26.1Very low26.5Very low106 Ų106145 Ų14574%0.74178%0.783SS**  154.5126.8106.354.60000112.7
304C23.9Very low26.4Very low108 Ų108146.2 Ų146.273%0.7378%0.784SS**  trans47.797146.6-67.60000119.4
305W26.7Very low26.4Very low259 Ų259144.9 Ų144.998%0.98178%0.779SS**  trans-135.294131.1-78.884.6000110.1
306K27.7Very low26.3Very low189 Ų189143.6 Ų143.682%0.82277%0.774SS**  trans-65.9138.9159.7-83.9174.6172175.30108.9
307S24.4Very low26.2Very low103 Ų103142.3 Ų142.372%0.7277%0.773SS**  trans0.5133.4146.660.60000119.6
308K25.9Very low26.2Very low198 Ų198142 Ų14286%0.86177%0.773SS**  trans113.4140.8137.6-87.4-170.7177.1-174.80118.1
309P27.7Very low26.1Very low120 Ų120143.4 Ų143.478%0.77977%0.773SS**  trans-86.8139.8-164.536.6-32000110
310S26Very low26.2Very low104 Ų104145.4 Ų145.473%0.72778%0.776SS**  trans-159.6109.6161.553.30000108.4S312S310-S312 PolarHBondContact O-N 3.07Å
311L23.2Very low26.2Very low162 Ų162145.8 Ų145.885%0.84877%0.774SS**  trans-50.8112162.6-164.382000108.7
312S27.8Very low26Very low115 Ų115150.7 Ų150.780%0.80478%0.779SS**  trans-124.587.8166.363.40000108.4S310S310-S312 PolarHBondContact O-N 3.07Å
313I25Very low26Very low125 Ų125153.6 Ų153.664%0.64179%0.785SS**  trans-90.7136.4166.4-77.5174.7000108.4
314N26.4Very low26Very low129 Ų129155.9 Ų155.969%0.6978%0.784SS**  trans85.6120.2161.1-66.4-19000119.7
315K27Very low26.1Very low172 Ų172160.2 Ų160.275%0.74879%0.793SS**  -164.2141.1101-116.4174.4179.9-179.90114.3
316Y26.9Very low26Very low193 Ų193153.5 Ų153.576%0.75778%0.777SS**SBendtrans78.7120.9171.5-59.3-81000115.5
317D25.4Very low25.7Very low149 Ų149149.9 Ų149.980%0.79777%0.774SS**  cis-150.1131.424.4-105.7-35.5000111.1
318S25.3Very low25.7Very low116 Ų116150.8 Ų150.881%0.81178%0.775SS**  trans-169.1113.9144.3-178.50000109.7N320S318-N320 PolarHBondContact O-N 3.03Å
319K25.7Very low25.6Very low193 Ų193149 Ų14984%0.83978%0.775SS**  trans-61.4109.4165.4-71.6171.8176173.70108.6
320N27.3Very low25.4Very low140 Ų140148.1 Ų148.175%0.74977%0.772SS**  173.8101.4119.3-90.3-15.6000112.2S318S318-N320 PolarHBondContact O-N 3.03Å
321T26.2Very low25.4Very low112 Ų112149.7 Ų149.769%0.68777%0.772SS**  trans59.5105.5130.5470000121.1
322R25.5Very low25.3Very low227 Ų227153.7 Ų153.786%0.85778%0.776SS**  84.187.1124.1-72.3-179.5177.1178.8-0.2118.8
323K27.1Very low25Very low206 Ų206155.1 Ų155.190%0.89677%0.774SS**  162.697.994.8-90.7-178.8178.8-178.30108.8
324Q24.6Very low24.9Very low154 Ų154156 Ų15672%0.7278%0.778SS**  trans-86.7138.6167.7-109.6175-21.300109
325Q27.2Very low24.8Very low199 Ų199158.7 Ų158.793%0.9379%0.787SS**  trans-131.1118.3152.5-146.3155-0.500107
326N23.6Very low24.6Very low118 Ų118158.1 Ų158.163%0.63179%0.791SS**  trans-83.9176.8-172.5-80.9-21.4000112.3
327C21.6Very low24.4Very low113 Ų113155.6 Ų155.676%0.76479%0.791SS**  trans89.2130.9156-61.70000113.3
328T24.5Very low24.3Very low121 Ų121159.5 Ų159.574%0.74279%0.794SS**  cis-169.2152.425.33.20000108.5
329D23.7Very low24.3Very low162 Ų162162.2 Ų162.287%0.86680%0.799SS**  trans-42135160.6-76.5-51.7000111.9
330S24.4Very low24.2Very low100 Ų100159.6 Ų159.670%0.69979%0.794SS**  trans-168.1115.2150.518.90000110.3
331D24.6Very low24.1Very low137 Ų137159 Ų15973%0.73379%0.791SS**  49.397.6122.8-59.8-26.4000118.6L333D331-L333 PolarHBondContact O-N 3.36Å
332W22.6Very low24Very low247 Ų247164.1 Ų164.194%0.93680%0.799SS**SBend-10.791120.4-36.470.3000113.5
333L21.4Very low24Very low144 Ų144158.1 Ų158.175%0.75480%0.798SS**  trans176.2123.1151.6-95.1139.4000109.8D331D331-L333 PolarHBondContact O-N 3.36Å
334I22.5Very low23.9Very low144 Ų144153.3 Ų153.374%0.73879%0.79SS**  trans57.5102.3143.7-50.4170.4000116.5
335Q24Very low23.8Very low185 Ų185154 Ų15486%0.86480%0.798SS**  trans-158.679.9134.7-110.4176.732.200110.4N337Q335-N337 PolarHBondContact O-N 3.36Å
336L23.2Very low23.7Very low160 Ų160151 Ų15184%0.83880%0.797SS**  trans-63.5118.7140.4-99.793.9000106.4
337N22.5Very low23.6Very low141 Ų141154.6 Ų154.675%0.75481%0.807SS**  trans143.3136.6146.5-76.5-23000111.3Q335Q335-N337 PolarHBondContact O-N 3.36Å
338R22.6Very low23.8Very low230 Ų230158.7 Ų158.787%0.86881%0.813SS**  trans76.996.3176-67.1178.4164.9176.8-3.8115.5
339L25.5Very low23.8Very low173 Ų173158.7 Ų158.791%0.90681%0.808SS**  -153.890.4111.2-121106.1000108.1
340D24.2Very low23.9Very low138 Ų138157 Ų15774%0.73880%0.799SS**  trans-55.3156.1147.6-73.7-52.2000109
341N24.9Very low24.1Very low129 Ų129160.9 Ų160.969%0.6981%0.806SS**  trans91.7103.4158.4-73.3-16.4000119.4
342Y24.6Very low24.2Very low219 Ų219163.2 Ų163.286%0.85981%0.812SS**  trans63.1117.4138.3-66-86.4000119.4
343A25.5Very low24.3Very low100 Ų100157.2 Ų157.283%0.82681%0.805SS**  -166.4114.4115.400000111.4
344S23.5Very low24.5Very low105 Ų105159.8 Ų159.873%0.73481%0.81SS**  trans-52143.8163.750.90000113.5
345L22.8Very low24.7Very low169 Ų169158 Ų15889%0.88581%0.808SS**  trans-171.5104136.7-118.6123.4000110.8
346C24.9Very low24.8Very low135 Ų135155.1 Ų155.191%0.91280%0.799SS**  -177.4120.1127.5-970000109.5
347K22.2Very low24.9Very low194 Ų194155 Ų15584%0.84380%0.798SS**  trans-105125.8-173.4-161-175-167.8-175.50106.7
348F26.2Very low25.1Very low200 Ų200156.2 Ų156.288%0.87780%0.797SS**  trans-146.4101.3158-104.8-79000110.2
349N24.7Very low25.2Very low120 Ų120152 Ų15264%0.64279%0.79SS**  trans43.6117.2146.3-60.5-0.4000122.5
350D25.8Very low25.2Very low128 Ų128147.8 Ų147.868%0.68478%0.775SS**  61.489126.6-55.7-26.6000120.2
351H28.1Very low25.4Very low181 Ų181148.5 Ų148.584%0.83878%0.779SS**  169.5122.195.2-92-62.2000111.6
352Q26.4Very low25.5Very low185 Ų185146.4 Ų146.486%0.86477%0.767SS**  trans66.4111.5164.3-68.8-161.4-8.700120.4
353P24.7Very low26Very low121 Ų121141 Ų14179%0.78676%0.759SS**  trans-89.9138.3167.235.5-27.2000110.3
354K26Very low26.5Very low198 Ų198143.8 Ų143.886%0.86176%0.755SS**  trans-125.6109.8150.1-107.7179.9-179.2176.50108.8
355P25.8Very low27Very low107 Ų107144.1 Ų144.170%0.69575%0.749SS**  trans-76.5125.3170.332.5-27.1000106.2
356N27.7Very low27.5Very low125 Ų125142.1 Ų142.167%0.66874%0.738SS**  trans-15088.8159.1-91.6-22.6000108.3F358N356-F358 HydrophobicContact CB-CD2 3.92Å; N356-F358 HydrophobicContact CB-CE2 3.91Å; N356-F358 PolarHBondContact O-N 2.9Å
357L24.4Very low27.9Very low158 Ų158141.6 Ų141.683%0.82773%0.726SS**  trans-45.7106.3150.9-151.491.8000108.1
358F26Very low28.2Very low165 Ų165136 Ų13672%0.72471%0.711SS**  trans-12793.6161.9-84.1-75.3000108.2N356 S360N356-F358 HydrophobicContact CB-CD2 3.92Å; N356-F358 HydrophobicContact CB-CE2 3.91Å; N356-F358 PolarHBondContact O-N 2.9Å; F358-S360 PolarHBondContact O-N 3.01Å
359I25.4Very low28.4Very low141 Ų141134.1 Ų134.172%0.72370%0.699SS**  trans-58.2109.2149-62.7166.8000104.6
360S26.1Very low28.8Very low85 Ų85135.2 Ų135.259%0.59470%0.698SS**  trans-131.1101.2173.3-1790000107.6F358 N362F358-S360 PolarHBondContact O-N 3.01Å; S360-N362 VanDerWaalsContact C-N 3.3Å; S360-N362 PolarHBondContact O-N 3.48Å
361D27.2Very low29Very low153 Ų153134.2 Ų134.282%0.81869%0.693SS**  trans-68.684.9169.6-63.5-43.6000108.7
362N28.6Very low29.1Very low85 Ų85128 Ų12846%0.45567%0.67SS.*  trans-154.5111.5163.3-143.2-12.3000112.3S360 E364S360-N362 VanDerWaalsContact C-N 3.3Å; S360-N362 PolarHBondContact O-N 3.48Å; N362-E364 PolarHBondContact O-N 3.29Å; N362-E364 VanDerWaalsContact O-N 3.12Å
363P34Very low29.3Very low106 Ų106124.3 Ų124.369%0.68866%0.656SS**THydrogen-bonded Turntrans-69.5-6.7-174.126.2-32.9000114.6
364E36.6Very low29.6Very low159 Ų159124.4 Ų124.474%0.74365%0.648SS**THydrogen-bonded Turntrans-90.2-20.1-176-63.5-172.6163.200114.1N362 L366N362-E364 PolarHBondContact O-N 3.29Å; N362-E364 VanDerWaalsContact O-N 3.12Å; E364-L366 VanDerWaalsContact C-N 3.32Å
365N34.5Very low29.7Very low111 Ų111121.6 Ų121.659%0.59464%0.643SS**THydrogen-bonded Turntrans-82.3-8.7175.3-81.7-26000113.7L367 S368N365-L367 VanDerWaalsContact C-N 3.34Å; N365-S368 PolarHBondContact O-OG 3.18Å
366L32.1Very low29.7Very low127 Ų127123.2 Ų123.267%0.66564%0.641SS**Hα-helixtrans-75-23.1176.6-118.6122.2000112.5E364 K370E364-L366 VanDerWaalsContact C-N 3.32Å; L366-K370 WeakPolarHBondContact O-CB 3.43Å; L366-K370 PolarHBondContact O-N 3.2Å; L366-K370 VanDerWaalsContact O-N 3.15Å
367L32.9Very low29.7Very low124 Ų124125.1 Ų125.165%0.64965%0.651SS**Hα-helixtrans-77.6-31.9-178.3-123.683.9000113.1N365 N371N365-L367 VanDerWaalsContact C-N 3.34Å; L367-N371 PolarHBondContact O-N 2.85Å
368S30Very low29.8Very low76 Ų76124 Ų12453%0.53165%0.645SS.*Hα-helixtrans-76.6-31177.373.50000112.1N365 S372N365-S368 PolarHBondContact O-OG 3.18Å; S368-S372 PolarHBondContact O-N 3.47Å; S368-S372 PolarHBondContact O-OG 2.98Å
369Y29.8Very low29.9Very low162 Ų162121.2 Ų121.264%0.63564%0.643SS**Hα-helixtrans-75.2-31.2174-123.3-90.9000112.9N371 S372 L373Y369-N371 VanDerWaalsContact C-N 3.3Å; Y369-N371 PolarHBondContact O-N 3.38Å; Y369-S372 WeakPolarHBondContact CA-OG 3.19Å; Y369-S372 PolarHBondContact O-N 3.3Å; Y369-S372 PolarHBondContact O-OG 2.98Å; Y369-S372 VanDerWaalsContact O-OG 3.06Å; Y369-L373 HydrophobicContact CD1-CD1 3.58Å; Y369-L373 HydrophobicContact CE1-CD1 4.04Å; Y369-L373 WeakPolarHBondContact O-CD1 2.89Å; Y369-L373 PolarHBondContact O-N 3.45Å; Y369-L373 VanDerWaalsContact O-N 3.09Å
370K32.5Very low30.1Very low143 Ų143121.8 Ų121.862%0.62265%0.648SS**Hα-helixtrans-67.6-31.8174.9-149.9171.5-173.8177.80111.9L366 I374L366-K370 WeakPolarHBondContact O-CB 3.43Å; L366-K370 PolarHBondContact O-N 3.2Å; L366-K370 VanDerWaalsContact O-N 3.15Å; K370-I374 WeakPolarHBondContact O-CD1 3.34Å; K370-I374 WeakPolarHBondContact O-CG1 3.46Å
371N30.4Very low30.2Very low107 Ų107123.7 Ų123.757%0.57266%0.655SS**Hα-helixtrans-83.2-21.1176.8-72.3-17.2000113.7L367 Y369L367-N371 PolarHBondContact O-N 2.85Å; Y369-N371 VanDerWaalsContact C-N 3.3Å; Y369-N371 PolarHBondContact O-N 3.38Å
372S29.2Very low30.2Very low51 Ų51121.6 Ų121.636%0.35765%0.653SS.*Hα-helixtrans-85.6-25.9173.661.50000113.4S368 Y369S368-S372 PolarHBondContact O-N 3.47Å; S368-S372 PolarHBondContact O-OG 2.98Å; Y369-S372 WeakPolarHBondContact CA-OG 3.19Å; Y369-S372 PolarHBondContact O-N 3.3Å; Y369-S372 PolarHBondContact O-OG 2.98Å; Y369-S372 VanDerWaalsContact O-OG 3.06Å
373L31.2Very low30.1Very low107 Ų107122.3 Ų122.356%0.5666%0.66SS**Hα-helixtrans-75.1-21.5171.1-99.2101000114.1Y369 N375Y369-L373 HydrophobicContact CD1-CD1 3.58Å; Y369-L373 HydrophobicContact CE1-CD1 4.04Å; Y369-L373 WeakPolarHBondContact O-CD1 2.89Å; Y369-L373 PolarHBondContact O-N 3.45Å; Y369-L373 VanDerWaalsContact O-N 3.09Å; L373-N375 VanDerWaalsContact C-N 3.28Å; L373-N375 PolarHBondContact O-N 3.24Å
374I31.1Very low29.6Very low122 Ų122124.2 Ų124.263%0.62666%0.663SS**THydrogen-bonded Turntrans-77.7-15.1179.6-69.8167.1000112.1K370K370-I374 WeakPolarHBondContact O-CD1 3.34Å; K370-I374 WeakPolarHBondContact O-CG1 3.46Å
375N28.5Very low29Very low140 Ų140124.6 Ų124.675%0.74967%0.67SS**THydrogen-bonded Turntrans-117.713.4-176-77.4-21.1000114.9L373L373-N375 VanDerWaalsContact C-N 3.28Å; L373-N375 PolarHBondContact O-N 3.24Å
376Q26.1Very low28.4Very low140 Ų140124.1 Ų124.165%0.65467%0.674SS**SBendtrans-99.3117.5171.1-74.2-173.8-5.900109.9I378Q376-I378 PolarHBondContact O-N 3.15Å
377N26.3Very low28.1Very low166 Ų166124.8 Ų124.889%0.88868%0.678SS**  trans-60.796.3168.7-73.9-24.3000108.7P379N377-P379 WeakPolarHBondContact O-CD 3.4Å
378I28.4Very low27.6Very low135 Ų135124.7 Ų124.769%0.69269%0.687SS**  trans-70.3120.3173.2-59174.1000107.2Q376Q376-I378 PolarHBondContact O-N 3.15Å
379P28Very low27.4Very low106 Ų106127.4 Ų127.469%0.68869%0.694SS**  trans-69.1138.3173.628.1-30.5000110N377 T381N377-P379 WeakPolarHBondContact O-CD 3.4Å; P379-T381 PolarHBondContact O-N 3.38Å
380D28.2Very low27.1Very low153 Ų153127.3 Ų127.382%0.81870%0.704SS**  trans-41.5106.5179.9-76.9-42.2000113.5
381T28.9Very low26.9Very low124 Ų124127.7 Ų127.776%0.76171%0.708SS**  trans-108.954.516647.50000110.5P379 T383P379-T381 PolarHBondContact O-N 3.38Å; T381-T383 VanDerWaalsContact C-N 3.26Å
382S27.3Very low26.6Very low110 Ų110128.1 Ų128.177%0.76972%0.719SS**  trans-91.218.7165.866.90000113
383T25.6Very low26.4Very low99 Ų99129.9 Ų129.961%0.60773%0.728SS**SBendtrans-133.1132175.746.20000109.3T381T381-T383 VanDerWaalsContact C-N 3.26Å
384I24.4Very low26.1Very low146 Ų146133.5 Ų133.575%0.74975%0.748SS**  trans99.884.9166.5-46.3151000114.8
385L23Very low25.9Very low167 Ų167134.8 Ų134.887%0.87475%0.753SS**  -119.877.9129.6-138.695.1000107.2N387L385-N387 PolarHBondContact O-N 2.88Å
386C23.4Very low25.6Very low101 Ų101140 Ų14068%0.68276%0.763SS**  trans-69.8105.6163.5-870000107.4C388C386-C388 PolarHBondContact O-N 3.23Å; C386-C388 VanDerWaalsContact O-N 3.17Å
387N24.1Very low25.8Very low142 Ų142140.9 Ų140.976%0.75977%0.771SS**  trans-69.7106.9158.4-105.9-7.1000107.4L385 I389L385-N387 PolarHBondContact O-N 2.88Å; N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.18Å
388C24.2Very low25.8Very low122 Ų122140.2 Ų140.282%0.82477%0.766SS**  trans-64.791169.2-64.10000109.3C386C386-C388 PolarHBondContact O-N 3.23Å; C386-C388 VanDerWaalsContact O-N 3.17Å
389I25.3Very low25.8Very low133 Ų133142 Ų14268%0.68277%0.771SS**  trans-9395.1154.5-62.4178.1000106.4N387 Q391N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.18Å; I389-Q391 HydrophobicContact CG2-CB 3.99Å; I389-Q391 HydrophobicContact CG2-CG 3.99Å; I389-Q391 PolarHBondContact O-N 3.43Å
390N23.9Very low25.9Very low160 Ų160144.4 Ų144.486%0.85678%0.778SS**  trans-74.881.6166.5-15313.1000107.4
391Q27Very low25.9Very low150 Ų150146 Ų14670%0.70178%0.781SS**  trans-119.192.3165.6-87.2-173-8.500109.3I389 T393I389-Q391 HydrophobicContact CG2-CB 3.99Å; I389-Q391 HydrophobicContact CG2-CG 3.99Å; I389-Q391 PolarHBondContact O-N 3.43Å; Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 3.22Å
392S23.6Very low25.9Very low116 Ų116149.2 Ų149.281%0.81179%0.787SS**  trans-58.890.5155.955.80000109.4
393T26.5Very low25.9Very low88 Ų88150.8 Ų150.854%0.5479%0.786SS.*  trans-136.4115.4160.151.10000109Q391 M395Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 3.22Å; T393-M395 VanDerWaalsContact C-N 3.28Å; T393-M395 PolarHBondContact O-N 3.28Å
394N24.6Very low25.9Very low183 Ų183154.3 Ų154.398%0.97980%0.8SS**  trans-57.190.7165.5-98.1-34.6000108.6
395M25.9Very low26.1Very low149 Ų149153.4 Ų153.473%0.73480%0.796SS**  trans-112.4106.7170.9-74.6-121.4-123.600109T393 L397T393-M395 VanDerWaalsContact C-N 3.28Å; T393-M395 PolarHBondContact O-N 3.28Å; M395-L397 PolarHBondContact O-N 3.21Å; M395-L397 VanDerWaalsContact O-N 3.13Å
396R23.8Very low26.3Very low250 Ų250151.1 Ų151.194%0.94379%0.791SS**  trans-67.3101.9164.4-84.4-179.2172.6175-2.4107.9I398R396-I398 PolarHBondContact O-N 3.19Å
397L28.6Very low26.5Very low158 Ų158152.4 Ų152.483%0.82780%0.796SS**  trans-76.9115.3172.1-89.6135.8000110.1M395M395-L397 PolarHBondContact O-N 3.21Å; M395-L397 VanDerWaalsContact O-N 3.13Å
398I27Very low26.5Very low153 Ų153151 Ų15179%0.78580%0.796SS**  trans-72.4130.3170.4-64.7169.7000107.5R396 N400R396-I398 PolarHBondContact O-N 3.19Å; I398-N400 PolarHBondContact O-N 3.33Å
399Q29.2Very low26.6Very low172 Ų172150.9 Ų150.980%0.80479%0.786SS**SBendtrans-55.4128.9175.1-73.7170.2-41.200109.5
400N29Very low26.6Very low157 Ų157150.5 Ų150.584%0.8479%0.794SS**  trans115.837.5167.7-54.2-17.1000118.1I398I398-N400 PolarHBondContact O-N 3.33Å
401Q28.9Very low26.8Very low185 Ų185150.4 Ų150.486%0.86479%0.793SS**  trans-133.1123.1163.4-71.8-175.2-22.600111.7
402E28Very low26.8Very low192 Ų192148.9 Ų148.990%0.89779%0.79SS**  trans-70.8121.7170.2-71.2178.616600109.4
403L27.1Very low27.3Very low144 Ų144152.8 Ų152.875%0.75479%0.792SS**  trans-92.8104.7-179.9-162.884.1000109.3I405L403-I405 HydrophobicContact CD2-CD1 3.92Å; L403-I405 HydrophobicContact CD2-CG1 3.71Å; L403-I405 HydrophobicContact CG-CG1 4.17Å; L403-I405 PolarHBondContact O-N 2.89Å
404L27Very low27.7Very low172 Ų172155.4 Ų155.490%0.90180%0.803SS**  trans-76.7104.1166.2-84.5146000109
405I28.6Very low28.3Very low127 Ų127153.5 Ų153.565%0.65179%0.791SS**  trans-91.6122.4171-56.6175.3000108.2L403 V407L403-I405 HydrophobicContact CD2-CD1 3.92Å; L403-I405 HydrophobicContact CD2-CG1 3.71Å; L403-I405 HydrophobicContact CG-CG1 4.17Å; L403-I405 PolarHBondContact O-N 2.89Å; I405-V407 PolarHBondContact O-N 2.75Å
406P26.2Very low28.5Very low119 Ų119153 Ų15377%0.77380%0.796SS**  trans-74.1123172.229.3-30.1000109.7
407V27.3Very low28.7Very low129 Ų129150 Ų15078%0.78279%0.793SS**  trans-87.7115.3169.3179.60000108.1I405I405-V407 PolarHBondContact O-N 2.75Å
408S24.9Very low28.9Very low111 Ų111154.2 Ų154.278%0.77682%0.816SS**  trans-79.8122.5169.736.40000110.1
409I27.3Very low29Very low120 Ų120154.3 Ų154.362%0.61582%0.818SS**  trans-93116.2173.2-59.4170.5000108.1
410C25.2Very low29Very low126 Ų126153.3 Ų153.385%0.85182%0.818SS**  trans-82.8111.7165.5-76.90000109.2
411L26.8Very low28.9Very low157 Ų157153.1 Ų153.182%0.82282%0.817SS**  trans-76.2129168.9-91.9147.8000110.1
412N26.8Very low29Very low119 Ų119151.2 Ų151.264%0.63681%0.814SS**  trans-63.3132.2174.1-168.81.4000109.9N414N412-N414 PolarHBondContact O-N 3.48Å; N412-N414 VanDerWaalsContact O-N 3.13Å
413K34.3Very low29Very low197 Ų197148.7 Ų148.786%0.85781%0.809SS**THydrogen-bonded Turntrans-79.48.6-166.8-135177-177.1-177.60114.7
414N36.1Very low29.1Very low143 Ų143149 Ų14977%0.76581%0.813SS**THydrogen-bonded Turntrans-110.723.6-172-65.1-3.8000113.8N412N412-N414 PolarHBondContact O-N 3.48Å; N412-N414 VanDerWaalsContact O-N 3.13Å
415I36Very low29.3Very low143 Ų143147.4 Ų147.473%0.73381%0.807SS**  trans-12733.8-178.2-45.3178.3000111
416V30.3Very low29.3Very low139 Ų139148.9 Ų148.984%0.84282%0.819SS**  trans-135.974.6172.5-171.90000108.4
417E28.1Very low29.6Very low187 Ų187151.4 Ų151.487%0.87482%0.822SS**  trans-159.287.4161-106.4175.7-168.100106.4
418D32.4Very low29.8Very low246 Ų246153.5 Ų153.5100%1.31683%0.826SS**  trans-176.30147-94.1-18.4000110

Retrieved 418 of 418 residues in 89 ms (Link to these results)