A0A3Q0KTQ6_SCHMA Loading...

TRAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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
1M70.6Confident91Very high104 Ų10492.5 Ų92.551%0.51246%0.458SS..  09.70-66.5179.8-176.400116.2R3 I31M1-R3 HydrophobicContact CB-CG 4Å; M1-R3 PolarHBondContact O-N 3.09Å; M1-I31 HydrophobicContact CE-CB 3.65Å; M1-I31 HydrophobicContact CE-CD1 3.25Å; M1-I31 HydrophobicContact CE-CG1 3.82Å; M1-I31 HydrophobicContact CE-CG2 4.18Å
2R80.8Confident91.6Very high202 Ų20293 Ų9376%0.76246%0.459SS*.  trans45.641.3174-64.8-175171.5-174.3-6.8114.9G4 F69R2-G4 PolarHBondContact O-N 3.42Å; R2-G4 VanDerWaalsContact O-N 3.16Å; R2-F69 VanDerWaalsContact CZ-CZ 3.46Å
3R86.3Confident92.1Very high137 Ų13793.5 Ų93.552%0.51746%0.463SS..  trans-68.1-14.9-172.7-63.7-167.5176.7-1174114.2M1 Y5M1-R3 HydrophobicContact CB-CG 4Å; M1-R3 PolarHBondContact O-N 3.09Å; R3-Y5 VanDerWaalsContact C-N 3.28Å; R3-Y5 HydrophobicContact CB-CD1 4Å; R3-Y5 HydrophobicContact CB-CE1 3.59Å; R3-Y5 HydrophobicContact CB-CE2 4.43Å; R3-Y5 VanDerWaalsContact CD-OH 3.31Å; R3-Y5 WeakPolarHBondContact CD-OH 3.32Å; R3-Y5 HydrophobicContact CG-CE1 4.48Å; R3-Y5 WeakPolarHBondContact O-CD1 3.48Å; R3-Y5 PolarHBondContact O-N 3.21Å
4G91.5Very high92.5Very high83 Ų8387.1 Ų87.186%0.85643%0.432SS*.SBendtrans78.85.8174.600000114.9R2R2-G4 PolarHBondContact O-N 3.42Å; R2-G4 VanDerWaalsContact O-N 3.16Å
5Y94.7Very high92.8Very high117 Ų11786.7 Ų86.746%0.45943%0.432SS..SBendtrans-137.1158.4176.557.5-98.2000111.1R3 Y10R3-Y5 VanDerWaalsContact C-N 3.28Å; R3-Y5 HydrophobicContact CB-CD1 4Å; R3-Y5 HydrophobicContact CB-CE1 3.59Å; R3-Y5 HydrophobicContact CB-CE2 4.43Å; R3-Y5 VanDerWaalsContact CD-OH 3.31Å; R3-Y5 WeakPolarHBondContact CD-OH 3.32Å; R3-Y5 HydrophobicContact CG-CE1 4.48Å; R3-Y5 WeakPolarHBondContact O-CD1 3.48Å; R3-Y5 PolarHBondContact O-N 3.21Å; Y5-Y10 AromaticContact CE2-CD2 3.94Å; Y5-Y10 HydrophobicContact CE2-CD2 3.94Å; Y5-Y10 HydrophobicContact CE2-CG 4.29Å
6T94.9Very high93.2Very high88 Ų8885.4 Ų85.454%0.5443%0.43SS..  trans-89.9159.8177.565.30000110.9Q8 A9 Y10T6-Q8 PolarHBondContact O-N 2.76Å; T6-A9 PolarHBondContact O-N 3.47Å; T6-A9 PolarHBondContact OG1-N 3.5Å; T6-A9 VanDerWaalsContact OG1-N 3.14Å; T6-Y10 PolarHBondContact O-N 3.37Å
7R93.8Very high93.5Very high70 Ų7083.4 Ų83.426%0.26442%0.421SS..Hα-helixtrans-55-39.9170.6-178.6177.9-179.5-97.2-3.6111.6Y10 M11 E47R7-Y10 WeakPolarHBondContact O-CB 3.5Å; R7-Y10 PolarHBondContact O-N 3.16Å; R7-M11 WeakPolarHBondContact O-CG 3.32Å; R7-M11 PolarHBondContact O-N 2.99Å; R7-E47 IonicContact CZ-OE1 2.71Å; R7-E47 IonicContact CZ-OE2 3.09Å; R7-E47 IonicContact NH1-OE1 3.24Å; R7-E47 PolarHBondContact NH1-OE1 3.5Å; R7-E47 IonicContact NH1-OE2 3.58Å; R7-E47 IonicContact NH2-OE1 3.65Å; R7-E47 PolarHBondContact NH2-OE1 3.02Å; R7-E47 IonicContact NH2-OE2 3.41Å; R7-E47 PolarHBondContact NH2-OE2 3.24Å
8Q95.8Very high93.7Very high118 Ų11882.3 Ų82.355%0.55141%0.414SS*.Hα-helixtrans-61.1-50.3178.8-178.458.72900111.9T6 Y10 M11 E12T6-Q8 PolarHBondContact O-N 2.76Å; Q8-Y10 VanDerWaalsContact C-N 3.26Å; Q8-Y10 PolarHBondContact O-N 2.88Å; Q8-M11 PolarHBondContact O-N 2.88Å; Q8-M11 VanDerWaalsContact O-N 3.12Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.33Å; Q8-E12 PolarHBondContact NE2-OE1 2.84Å; Q8-E12 WeakPolarHBondContact O-CG 3.4Å; Q8-E12 PolarHBondContact O-N 2.91Å
9A97.7Very high93.9Very high43 Ų4386.1 Ų86.136%0.35543%0.43SS..Hα-helixtrans-61.8-36.2177.600000112T6 L13T6-A9 PolarHBondContact O-N 3.47Å; T6-A9 PolarHBondContact OG1-N 3.5Å; T6-A9 VanDerWaalsContact OG1-N 3.14Å; A9-L13 PolarHBondContact O-N 2.89Å; A9-L13 VanDerWaalsContact O-N 3.09Å
10Y97.2Very high94.1Very high45 Ų4588.3 Ų88.318%0.17644%0.442CS..Hα-helixtrans-63.5-44.7173.9-179.7-94.6000112.1Y5 T6 R7 Q8 L13 V14 L48 V52 Y54Y5-Y10 AromaticContact CE2-CD2 3.94Å; Y5-Y10 HydrophobicContact CE2-CD2 3.94Å; Y5-Y10 HydrophobicContact CE2-CG 4.29Å; T6-Y10 PolarHBondContact O-N 3.37Å; R7-Y10 WeakPolarHBondContact O-CB 3.5Å; R7-Y10 PolarHBondContact O-N 3.16Å; Q8-Y10 VanDerWaalsContact C-N 3.26Å; Q8-Y10 PolarHBondContact O-N 2.88Å; Y10-L13 WeakPolarHBondContact O-CB 3.43Å; Y10-L13 PolarHBondContact O-N 2.83Å; Y10-V14 HydrophobicContact CD1-CG2 4.13Å; Y10-V14 HydrophobicContact CE1-CG2 3.6Å; Y10-V14 WeakPolarHBondContact O-CG2 3.21Å; Y10-V14 PolarHBondContact O-N 3.49Å; Y10-L48 HydrophobicContact CD1-CD1 3.86Å; Y10-L48 HydrophobicContact CD1-CD2 4.43Å; Y10-L48 HydrophobicContact CE1-CD1 3.9Å; Y10-L48 HydrophobicContact CE1-CD2 4.34Å; Y10-L48 HydrophobicContact CE1-CG 4.49Å; Y10-V52 HydrophobicContact CE1-CG2 4.16Å; Y10-Y54 WeakPolarHBondContact CE1-OH 3.45Å; Y10-Y54 WeakPolarHBondContact OH-CE1 3.37Å; Y10-Y54 PolarHBondContact OH-OH 2.99Å
11M97.4Very high94.2Very high10 Ų1087.5 Ų87.55%0.04944%0.441CS..Hα-helixtrans-65.9-38.3178.5-72.1-56.7-55.100112.7R7 Q8 L13 V14 N15 L48 R51 V52R7-M11 WeakPolarHBondContact O-CG 3.32Å; R7-M11 PolarHBondContact O-N 2.99Å; Q8-M11 PolarHBondContact O-N 2.88Å; Q8-M11 VanDerWaalsContact O-N 3.12Å; M11-L13 VanDerWaalsContact C-N 3.33Å; M11-V14 PolarHBondContact O-N 3.45Å; M11-N15 VanDerWaalsContact O-CG 3.24Å; M11-N15 PolarHBondContact O-N 2.94Å; M11-N15 PolarHBondContact O-ND2 2.95Å; M11-L48 HydrophobicContact CG-CD1 4.33Å; M11-L48 HydrophobicContact SD-CD1 3.34Å; M11-L48 WeakPolarHBondContact SD-CD1 3.38Å; M11-R51 HydrophobicContact CE-CB 4.28Å; M11-R51 HydrophobicContact CE-CG 3.73Å; M11-V52 HydrophobicContact CE-CG2 4.31Å; M11-V52 HydrophobicContact SD-CG2 3.88Å
12E98.2Very high95.3Very high99 Ų9987.2 Ų87.246%0.46345%0.447SS..Hα-helixtrans-60-44.7173-74166-168.100111.1Q8 V14 N15 T16Q8-E12 WeakPolarHBondContact CG-OE1 3.33Å; Q8-E12 PolarHBondContact NE2-OE1 2.84Å; Q8-E12 WeakPolarHBondContact O-CG 3.4Å; Q8-E12 PolarHBondContact O-N 2.91Å; E12-V14 PolarHBondContact O-N 2.88Å; E12-N15 PolarHBondContact O-N 2.81Å; E12-T16 PolarHBondContact O-N 2.89Å; E12-T16 PolarHBondContact O-OG1 3.12Å
13L97.9Very high95.8Very high99 Ų9983.3 Ų83.352%0.51844%0.442SS..Hα-helixtrans-61.5-43.9175.6177.662.3000112A9 Y10 M11 N15 T16 I17A9-L13 PolarHBondContact O-N 2.89Å; A9-L13 VanDerWaalsContact O-N 3.09Å; Y10-L13 WeakPolarHBondContact O-CB 3.43Å; Y10-L13 PolarHBondContact O-N 2.83Å; M11-L13 VanDerWaalsContact C-N 3.33Å; L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.33Å; L13-T16 PolarHBondContact O-N 2.92Å; L13-I17 HydrophobicContact CD1-CD1 4.19Å; L13-I17 HydrophobicContact CD1-CG1 4.33Å; L13-I17 HydrophobicContact CG-CD1 3.98Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.43Å; L13-I17 PolarHBondContact O-N 3.19Å
14V98.1Very high96.3Very high4 Ų478.6 Ų78.62%0.02443%0.428CS..Hα-helixtrans-58.6-44.3175.7169.30000111Y10 M11 E12 I17 H18 L26 V52Y10-V14 HydrophobicContact CD1-CG2 4.13Å; Y10-V14 HydrophobicContact CE1-CG2 3.6Å; Y10-V14 WeakPolarHBondContact O-CG2 3.21Å; Y10-V14 PolarHBondContact O-N 3.49Å; M11-V14 PolarHBondContact O-N 3.45Å; E12-V14 PolarHBondContact O-N 2.88Å; V14-I17 PolarHBondContact O-N 3.2Å; V14-H18 PolarHBondContact O-N 3.35Å; V14-H18 PolarHBondContact O-ND1 2.97Å; V14-L26 HydrophobicContact CG1-CD1 4.05Å; V14-L26 HydrophobicContact CG2-CD1 4.4Å; V14-V52 HydrophobicContact CG1-CG1 4.03Å; V14-V52 HydrophobicContact CG1-CG2 4.24Å; V14-V52 HydrophobicContact CG2-CG1 4.35Å; V14-V52 HydrophobicContact CG2-CG2 4.2Å
15N97.8Very high96.6Very high81 Ų8175.9 Ų75.943%0.43340%0.396SS..Hα-helixtrans-62.8-46.2178.4-67.3-20.7000111.5M11 E12 L13 I17 H18 E19M11-N15 VanDerWaalsContact O-CG 3.24Å; M11-N15 PolarHBondContact O-N 2.94Å; M11-N15 PolarHBondContact O-ND2 2.95Å; E12-N15 PolarHBondContact O-N 2.81Å; L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.33Å; N15-I17 VanDerWaalsContact C-N 3.29Å; N15-I17 PolarHBondContact O-N 3.04Å; N15-H18 PolarHBondContact O-N 2.74Å; N15-H18 VanDerWaalsContact O-N 3.16Å; N15-E19 WeakPolarHBondContact O-CG 3.25Å; N15-E19 PolarHBondContact O-N 2.97Å
16T98.6Very high96.7Very high66 Ų6671.8 Ų71.841%0.40538%0.382SS..Hα-helixtrans-59.3-39.7175.9-59.40000112E12 L13 E19 I20E12-T16 PolarHBondContact O-N 2.89Å; E12-T16 PolarHBondContact O-OG1 3.12Å; L13-T16 PolarHBondContact O-N 2.92Å; T16-E19 PolarHBondContact O-N 2.98Å; T16-I20 HydrophobicContact CG2-CD1 3.94Å; T16-I20 WeakPolarHBondContact O-CG1 3.41Å; T16-I20 PolarHBondContact O-N 2.64Å; T16-I20 VanDerWaalsContact O-N 3.17Å
17I98.3Very high96.9Very high52 Ų5271.7 Ų71.727%0.26738%0.381SS..Hα-helixtrans-62.7-46.2176.2-68.3164.6000110.6L13 V14 N15 E19 I20 V21 V24 L26L13-I17 HydrophobicContact CD1-CD1 4.19Å; L13-I17 HydrophobicContact CD1-CG1 4.33Å; L13-I17 HydrophobicContact CG-CD1 3.98Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.43Å; L13-I17 PolarHBondContact O-N 3.19Å; V14-I17 PolarHBondContact O-N 3.2Å; N15-I17 VanDerWaalsContact C-N 3.29Å; N15-I17 PolarHBondContact O-N 3.04Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 3.47Å; I17-I20 PolarHBondContact O-N 2.84Å; I17-V21 PolarHBondContact O-N 3.05Å; I17-V24 HydrophobicContact CG2-CB 4.27Å; I17-V24 HydrophobicContact CG2-CG1 3.54Å; I17-V24 HydrophobicContact CG2-CG2 4.21Å; I17-L26 HydrophobicContact CG2-CD2 4.39Å
18H96.8Very high97Very high63 Ų6369.6 Ų69.629%0.29238%0.377SS..Hα-helixtrans-65.7-31.9178.1-70.6147.7000113.2V14 N15 V21 P22 V24V14-H18 PolarHBondContact O-N 3.35Å; V14-H18 PolarHBondContact O-ND1 2.97Å; N15-H18 PolarHBondContact O-N 2.74Å; N15-H18 VanDerWaalsContact O-N 3.16Å; H18-V21 CarbonylContact O-C 3.57Å; H18-P22 WeakPolarHBondContact O-CA 3.34Å; H18-V24 VanDerWaalsContact CD2-CG1 3.49Å; H18-V24 WeakPolarHBondContact CD2-CG1 3.43Å
19E97.9Very high97.1Very high154 Ų15468.4 Ų68.472%0.7238%0.375SS*.Hα-helixtrans-65.6-38.5174-74.2173.5-176.800112.2N15 T16 I17N15-E19 WeakPolarHBondContact O-CG 3.25Å; N15-E19 PolarHBondContact O-N 2.97Å; T16-E19 PolarHBondContact O-N 2.98Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 3.47Å
20I98.3Very high97.1Very high130 Ų13067.2 Ų67.267%0.66736%0.362SS*.Hα-helixtrans-82.1-39.5-178.7-62.2168.8000111.4T16 I17T16-I20 HydrophobicContact CG2-CD1 3.94Å; T16-I20 WeakPolarHBondContact O-CG1 3.41Å; T16-I20 PolarHBondContact O-N 2.64Å; T16-I20 VanDerWaalsContact O-N 3.17Å; I17-I20 PolarHBondContact O-N 2.84Å
21V96.7Very high97.2Very high72 Ų7268.2 Ų68.244%0.43637%0.369SS..  trans-132.584.4-178-169.30000109.5I17 H18 N23 V24I17-V21 PolarHBondContact O-N 3.05Å; H18-V21 CarbonylContact O-C 3.57Å; V21-N23 PolarHBondContact O-N 3.26Å; V21-V24 HydrophobicContact CB-CB 4.06Å; V21-V24 HydrophobicContact CG1-CB 3.9Å; V21-V24 WeakPolarHBondContact O-CB 3.43Å; V21-V24 WeakPolarHBondContact O-CG1 3.36Å; V21-V24 PolarHBondContact O-N 3.44Å
22P93.7Very high97.2Very high98 Ų9867.8 Ų67.864%0.63637%0.367SS*.THydrogen-bonded Turntrans-57.6-27.1-173.1-29.536.3000115.8H18H18-P22 WeakPolarHBondContact O-CA 3.34Å
23N90.9Very high97.2Very high121 Ų12163 Ų6365%0.64735%0.345SS*.THydrogen-bonded Turntrans-103.519.2-179-61.8-35.9000112.9V21 Y131V21-N23 PolarHBondContact O-N 3.26Å; N23-Y131 WeakPolarHBondContact O-CE1 3.39Å
24V96.4Very high97.2Very high38 Ų3860.4 Ų60.423%0.2333%0.329CS..  trans-61.5141.1-179.465.70000111.8I17 H18 V21 L26I17-V24 HydrophobicContact CG2-CB 4.27Å; I17-V24 HydrophobicContact CG2-CG1 3.54Å; I17-V24 HydrophobicContact CG2-CG2 4.21Å; H18-V24 VanDerWaalsContact CD2-CG1 3.49Å; H18-V24 WeakPolarHBondContact CD2-CG1 3.43Å; V21-V24 HydrophobicContact CB-CB 4.06Å; V21-V24 HydrophobicContact CG1-CB 3.9Å; V21-V24 WeakPolarHBondContact O-CB 3.43Å; V21-V24 WeakPolarHBondContact O-CG1 3.36Å; V21-V24 PolarHBondContact O-N 3.44Å; V24-L26 HydrophobicContact CG1-CD2 4.36Å; V24-L26 HydrophobicContact CG1-CG 4.2Å; V24-L26 HydrophobicContact CG2-CD2 4.15Å
25S97Very high97.1Very high26 Ų2660.9 Ų60.918%0.18233%0.333CS..  trans-91.8117.3169.9177.70000108.8S55 Y131S25-S55 VanDerWaalsContact OG-CB 3.29Å; S25-S55 WeakPolarHBondContact OG-CB 3.36Å; S25-S55 PolarHBondContact OG-OG 3.03Å; S25-Y131 PolarHBondContact OG-O 2.71Å; S25-Y131 VanDerWaalsContact OG-O 3.06Å
26L98Very high97.1Very high31 Ų3159 Ų5916%0.16233%0.333CS..  trans-105.7133.3174.7-63.3179.5000110.2V14 I17 V24 V52 Y54 S55V14-L26 HydrophobicContact CG1-CD1 4.05Å; V14-L26 HydrophobicContact CG2-CD1 4.4Å; I17-L26 HydrophobicContact CG2-CD2 4.39Å; V24-L26 HydrophobicContact CG1-CD2 4.36Å; V24-L26 HydrophobicContact CG1-CG 4.2Å; V24-L26 HydrophobicContact CG2-CD2 4.15Å; L26-V52 HydrophobicContact CB-CG1 4.49Å; L26-V52 HydrophobicContact CD1-CG1 3.92Å; L26-Y54 HydrophobicContact CB-CD1 3.94Å; L26-Y54 HydrophobicContact CB-CE1 4.42Å; L26-Y54 CarbonylContact O-C 3.57Å; L26-Y54 WeakPolarHBondContact O-CA 3.44Å; L26-Y54 WeakPolarHBondContact O-CB 3.24Å; L26-S55 PolarHBondContact O-N 3.05Å; L26-S55 PolarHBondContact O-OG 3.16Å
27T97.8Very high97Very high85 Ų8557.1 Ų57.152%0.52132%0.319SS..EExtended strand (participates in β ladder)trans-123.4156.3174.262.70000110.8S55 F56T27-S55 WeakPolarHBondContact CG2-OG 3.04Å; T27-F56 WeakPolarHBondContact CA-O 3.29Å; T27-F56 VanDerWaalsContact CB-O 3.32Å; T27-F56 WeakPolarHBondContact CB-O 3.22Å; T27-F56 HydrophobicContact CG2-CB 3.94Å
28S97.3Very high97Very high27 Ų2757.4 Ų57.419%0.18932%0.323CS..EExtended strand (participates in β ladder)trans-154.6166.2178.8-169.40000113.2Y54 F56 C57 F58S28-Y54 VanDerWaalsContact CB-CE1 3.5Å; S28-F56 PolarHBondContact N-O 3.17Å; S28-C57 CarbonylContact O-C 3.51Å; S28-C57 WeakPolarHBondContact O-CA 3.39Å; S28-F58 PolarHBondContact O-N 2.86Å
29D98Very high97.1Very high93 Ų9358.4 Ų58.450%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-118.3127177.5-63.4-4.6000109.7F58D29-F58 CarbonylContact C-O 3.52Å; D29-F58 WeakPolarHBondContact CA-O 2.9Å; D29-F58 WeakPolarHBondContact OD1-CB 3.49Å; D29-F58 VanDerWaalsContact OD1-CD2 3.27Å; D29-F58 WeakPolarHBondContact OD1-CD2 3.19Å
30F97.9Very high97.1Very high18 Ų1857.2 Ų57.28%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-116.1139.8179.1-69.4-93.3000110.8L48 I49 Y54 C57 F58 C59 F60 L90F30-L48 HydrophobicContact CE1-CD2 4.13Å; F30-L48 HydrophobicContact CZ-CD2 4.27Å; F30-I49 HydrophobicContact CD1-CD1 4.18Å; F30-I49 HydrophobicContact CD1-CG1 4.43Å; F30-I49 HydrophobicContact CD2-CD1 3.92Å; F30-I49 HydrophobicContact CD2-CG1 4.1Å; F30-I49 HydrophobicContact CE1-CD1 4.13Å; F30-I49 HydrophobicContact CE1-CG1 3.88Å; F30-I49 HydrophobicContact CE2-CD1 3.86Å; F30-I49 HydrophobicContact CE2-CG1 3.5Å; F30-I49 VanDerWaalsContact CE2-CG1 3.5Å; F30-I49 HydrophobicContact CG-CD1 4.09Å; F30-I49 HydrophobicContact CZ-CD1 3.98Å; F30-I49 HydrophobicContact CZ-CG1 3.38Å; F30-Y54 HydrophobicContact CE2-CD2 4.3Å; F30-Y54 AromaticContact CE2-CE2 3.91Å; F30-Y54 HydrophobicContact CE2-CE2 3.91Å; F30-Y54 AromaticContact CZ-CE2 3.75Å; F30-Y54 HydrophobicContact CZ-CE2 3.75Å; F30-C57 HydrophobicContact CD2-CB 4.14Å; F30-C57 HydrophobicContact CE2-CB 4.41Å; F30-F58 PolarHBondContact N-O 3.17Å; F30-C59 WeakPolarHBondContact O-CA 3.41Å; F30-F60 PolarHBondContact O-N 3.38Å; F30-L90 HydrophobicContact CB-CD1 4.23Å
31I97.7Very high97.1Very high66 Ų6654.4 Ų54.434%0.33831%0.309SS..EExtended strand (participates in β ladder)trans-117.8125174.8-70.4175.5000107.9M1 F60 Y62M1-I31 HydrophobicContact CE-CB 3.65Å; M1-I31 HydrophobicContact CE-CD1 3.25Å; M1-I31 HydrophobicContact CE-CG1 3.82Å; M1-I31 HydrophobicContact CE-CG2 4.18Å; I31-F60 CarbonylContact C-O 3.57Å; I31-F60 VanDerWaalsContact CA-O 3.25Å; I31-F60 WeakPolarHBondContact CA-O 3.48Å; I31-Y62 HydrophobicContact CG2-CD2 3.92Å; I31-Y62 HydrophobicContact CG2-CG 4.22Å
32A98.4Very high97.2Very high0 Ų051.1 Ų51.10%029%0.289CS..EExtended strand (participates in β ladder)trans-95129.7-179.500000111.4F60 Y62 R86 H87 L90A32-F60 PolarHBondContact N-O 2.98Å; A32-Y62 WeakPolarHBondContact O-CB 3.48Å; A32-Y62 PolarHBondContact O-N 3.41Å; A32-R86 HydrophobicContact CB-CB 3.89Å; A32-H87 HydrophobicContact CB-CB 3.96Å; A32-L90 HydrophobicContact CB-CD1 3.79Å
33G98Very high97.4Very high0 Ų049.8 Ų49.80%028%0.282CS..SBendtrans71.742.5175.500000113.5E37 Y62 K83G33-E37 WeakPolarHBondContact CA-OE2 3.12Å; G33-E37 VanDerWaalsContact N-CD 3.34Å; G33-E37 PolarHBondContact N-OE1 2.95Å; G33-E37 PolarHBondContact N-OE2 3.33Å; G33-Y62 VanDerWaalsContact O-CB 3.23Å; G33-Y62 WeakPolarHBondContact O-CB 3.39Å; G33-K83 VanDerWaalsContact O-CE 3.27Å; G33-K83 WeakPolarHBondContact O-CE 3.41Å
34F97.6Very high97.7Very high43 Ų4348.1 Ų48.119%0.18927%0.27CS..  trans-58.4154.9165.8-175.7-101.5000110.6G36 E37 Y62 A70 L74 V78F34-G36 PolarHBondContact O-N 3.37Å; F34-E37 WeakPolarHBondContact O-CB 3.34Å; F34-E37 PolarHBondContact O-N 2.93Å; F34-Y62 AromaticContact CD2-CD2 3.69Å; F34-Y62 HydrophobicContact CD2-CD2 3.69Å; F34-Y62 HydrophobicContact CD2-CE1 4.45Å; F34-Y62 AromaticContact CD2-CE2 3.53Å; F34-Y62 HydrophobicContact CD2-CE2 3.53Å; F34-Y62 HydrophobicContact CD2-CG 4.2Å; F34-Y62 AromaticContact CD2-CZ 3.94Å; F34-Y62 HydrophobicContact CE2-CD2 4.36Å; F34-Y62 AromaticContact CE2-CE2 3.74Å; F34-Y62 HydrophobicContact CE2-CE2 3.74Å; F34-Y62 AromaticContact CE2-CZ 3.96Å; F34-A70 HydrophobicContact CE2-CB 4.14Å; F34-A70 HydrophobicContact CZ-CB 4.15Å; F34-L74 HydrophobicContact CE1-CD1 3.73Å; F34-L74 HydrophobicContact CZ-CD1 3.5Å; F34-L74 VanDerWaalsContact CZ-CD1 3.5Å; F34-V78 WeakPolarHBondContact O-CG2 3.43Å
35C97.1Very high97.8Very high15 Ų1547.7 Ų47.710%0.10127%0.269CS..THydrogen-bonded Turntrans-45.9122.5177-59.90000112.1E37 Y62 L74 T75C35-E37 VanDerWaalsContact C-N 3.33Å; C35-Y62 WeakPolarHBondContact SG-CE1 3.49Å; C35-L74 HydrophobicContact CB-CB 3.79Å; C35-L74 HydrophobicContact CB-CD1 4.05Å; C35-T75 VanDerWaalsContact CB-O 3.22Å; C35-T75 WeakPolarHBondContact CB-O 3.49Å; C35-T75 PolarHBondContact SG-O 3.16Å; C35-T75 VanDerWaalsContact SG-O 3.33Å
36G96.8Very high97.9Very high42 Ų4248.3 Ų48.343%0.43327%0.27SS..THydrogen-bonded Turntrans776-179.900000115.9F34 T38 D77F34-G36 PolarHBondContact O-N 3.37Å; G36-T38 PolarHBondContact O-N 3.03Å; G36-D77 WeakPolarHBondContact CA-OD1 3.35Å; G36-D77 PolarHBondContact N-OD1 2.97Å
37E97.5Very high97.9Very high26 Ų2650.7 Ų50.712%0.12128%0.28CS..  trans-65.7121.7-178.3-174.4-169.5-107.400111.8G33 F34 C35 D41 V78 R86G33-E37 WeakPolarHBondContact CA-OE2 3.12Å; G33-E37 VanDerWaalsContact N-CD 3.34Å; G33-E37 PolarHBondContact N-OE1 2.95Å; G33-E37 PolarHBondContact N-OE2 3.33Å; F34-E37 WeakPolarHBondContact O-CB 3.34Å; F34-E37 PolarHBondContact O-N 2.93Å; C35-E37 VanDerWaalsContact C-N 3.33Å; E37-D41 HydrophobicContact CG-CB 3.84Å; E37-V78 HydrophobicContact CB-CG2 4.38Å; E37-R86 PolarHBondContact O-NH1 3.35Å; E37-R86 PolarHBondContact O-NH2 3.27Å; E37-R86 VanDerWaalsContact OE2-CD 3.24Å; E37-R86 WeakPolarHBondContact OE2-CD 3.43Å; E37-R86 IonicContact OE2-CZ 2.73Å; E37-R86 IonicContact OE2-NE 3.48Å; E37-R86 IonicContact OE2-NH1 2.71Å; E37-R86 PolarHBondContact OE2-NH1 3.37Å
38T98.2Very high97.9Very high57 Ų5747.8 Ų47.835%0.3526%0.262SS..  trans-86.6171.5178.567.80000112.4G36 E40 D41 H42G36-T38 PolarHBondContact O-N 3.03Å; T38-E40 VanDerWaalsContact C-N 3.25Å; T38-E40 WeakPolarHBondContact CB-OE2 3.36Å; T38-E40 PolarHBondContact O-N 3.35Å; T38-E40 PolarHBondContact OG1-N 2.83Å; T38-E40 PolarHBondContact OG1-OE2 3.19Å; T38-D41 PolarHBondContact N-OD2 2.93Å; T38-D41 PolarHBondContact O-N 3.39Å; T38-D41 VanDerWaalsContact OG1-CG 3.3Å; T38-D41 PolarHBondContact OG1-N 2.97Å; T38-D41 VanDerWaalsContact OG1-N 3.13Å; T38-D41 PolarHBondContact OG1-OD2 3.18Å; T38-H42 PolarHBondContact O-N 3.46Å
39E98.3Very high98Very high85 Ų8546.5 Ų46.540%0.39725%0.253SS..Hα-helixtrans-65.1-33.1171.4-70-56.9137.300111.6H42 S43 R85 R86E39-H42 PolarHBondContact O-N 2.71Å; E39-S43 VanDerWaalsContact O-CB 3.31Å; E39-S43 WeakPolarHBondContact O-CB 3.26Å; E39-S43 PolarHBondContact O-N 3.3Å; E39-R85 IonicContact OE1-NH2 2.73Å; E39-R85 PolarHBondContact OE1-NH2 2.89Å; E39-R85 IonicContact OE2-CZ 3.73Å; E39-R85 IonicContact OE2-NH1 3.69Å; E39-R85 IonicContact OE2-NH2 2.85Å; E39-R85 PolarHBondContact OE2-NH2 2.84Å; E39-R86 IonicContact OE1-CZ 3.6Å; E39-R86 IonicContact OE1-NE 3.8Å; E39-R86 PolarHBondContact OE1-NE 3Å; E39-R86 IonicContact OE1-NH2 2.7Å; E39-R86 PolarHBondContact OE1-NH2 3.44Å
40E98.4Very high97.9Very high129 Ų12946.7 Ų46.760%0.60325%0.251SS*.Hα-helixtrans-65.3-41.5176.2-66.171.5-158.400111.8T38 S43 Q44T38-E40 VanDerWaalsContact C-N 3.25Å; T38-E40 WeakPolarHBondContact CB-OE2 3.36Å; T38-E40 PolarHBondContact O-N 3.35Å; T38-E40 PolarHBondContact OG1-N 2.83Å; T38-E40 PolarHBondContact OG1-OE2 3.19Å; E40-S43 PolarHBondContact O-N 2.97Å; E40-Q44 WeakPolarHBondContact O-CG 3.34Å; E40-Q44 PolarHBondContact O-N 2.81Å
41D97.6Very high97.9Very high70 Ų7053.6 Ų53.637%0.37428%0.276SS..Hα-helixtrans-64.4-42.5176.4-69-30000111.7E37 T38 Q44 S45E37-D41 HydrophobicContact CG-CB 3.84Å; T38-D41 PolarHBondContact N-OD2 2.93Å; T38-D41 PolarHBondContact O-N 3.39Å; T38-D41 VanDerWaalsContact OG1-CG 3.3Å; T38-D41 PolarHBondContact OG1-N 2.97Å; T38-D41 VanDerWaalsContact OG1-N 3.13Å; T38-D41 PolarHBondContact OG1-OD2 3.18Å; D41-Q44 PolarHBondContact O-N 2.91Å; D41-S45 PolarHBondContact O-N 3.09Å; D41-S45 VanDerWaalsContact O-N 3.08Å; D41-S45 PolarHBondContact O-OG 3.09Å; D41-S45 VanDerWaalsContact O-OG 3.12Å
42H98.5Very high97.9Very high4 Ų450.9 Ų50.92%0.01926%0.262CS..Hα-helixtrans-64.6-44.2176177.462.7000111.6T38 E39 Q44 S45 L46 R86 E89T38-H42 PolarHBondContact O-N 3.46Å; E39-H42 PolarHBondContact O-N 2.71Å; H42-Q44 VanDerWaalsContact C-N 3.32Å; H42-Q44 PolarHBondContact O-N 3.41Å; H42-S45 WeakPolarHBondContact O-CA 3.49Å; H42-S45 WeakPolarHBondContact O-CB 3.44Å; H42-S45 PolarHBondContact O-N 3.19Å; H42-L46 PolarHBondContact O-N 3.47Å; H42-R86 HydrophobicContact CB-CG 4.37Å; H42-R86 VanDerWaalsContact CE1-CA 3.46Å; H42-R86 WeakPolarHBondContact CE1-CA 3.27Å; H42-R86 WeakPolarHBondContact CE1-CB 3.43Å; H42-R86 PolarHBondContact CE1-O 3.01Å; H42-E89 IonicContact CD2-OE2 3.21Å; H42-E89 PolarHBondContact CD2-OE2 3.42Å; H42-E89 IonicContact CE1-OE2 3.49Å; H42-E89 IonicContact NE2-OE2 3.65Å; H42-E89 PolarHBondContact NE2-OE2 3.06Å
43S98.5Very high97.8Very high70 Ų7052.3 Ų52.349%0.4928%0.277SS..Hα-helixtrans-58.6-41.7174.4-175.90000112.2E39 E40 S45 L46 E47E39-S43 VanDerWaalsContact O-CB 3.31Å; E39-S43 WeakPolarHBondContact O-CB 3.26Å; E39-S43 PolarHBondContact O-N 3.3Å; E40-S43 PolarHBondContact O-N 2.97Å; S43-S45 VanDerWaalsContact C-N 3.27Å; S43-S45 PolarHBondContact O-N 3.37Å; S43-L46 PolarHBondContact O-N 3.31Å; S43-E47 PolarHBondContact O-N 3.32Å
44Q97.8Very high97.8Very high86 Ų8652.4 Ų52.440%0.40228%0.278SS..Hα-helixtrans-63.2-32.6174-75.4179.254.700113E40 D41 H42 L48E40-Q44 WeakPolarHBondContact O-CG 3.34Å; E40-Q44 PolarHBondContact O-N 2.81Å; D41-Q44 PolarHBondContact O-N 2.91Å; H42-Q44 VanDerWaalsContact C-N 3.32Å; H42-Q44 PolarHBondContact O-N 3.41Å; Q44-L48 VanDerWaalsContact O-CB 3.24Å; Q44-L48 WeakPolarHBondContact O-CB 3.22Å; Q44-L48 PolarHBondContact O-N 2.66Å
45S97.9Very high97.8Very high29 Ų2950.8 Ų50.820%0.20327%0.272CS..Hα-helixtrans-70-41.1175.6-61.30000111.5D41 H42 S43 L48 I49D41-S45 PolarHBondContact O-N 3.09Å; D41-S45 VanDerWaalsContact O-N 3.08Å; D41-S45 PolarHBondContact O-OG 3.09Å; D41-S45 VanDerWaalsContact O-OG 3.12Å; H42-S45 WeakPolarHBondContact O-CA 3.49Å; H42-S45 WeakPolarHBondContact O-CB 3.44Å; H42-S45 PolarHBondContact O-N 3.19Å; S43-S45 VanDerWaalsContact C-N 3.27Å; S43-S45 PolarHBondContact O-N 3.37Å; S45-L48 PolarHBondContact O-N 3.21Å; S45-I49 WeakPolarHBondContact O-CG1 3.49Å; S45-I49 PolarHBondContact O-N 3.23Å
46L98.6Very high97.8Very high39 Ų3954.5 Ų54.520%0.20429%0.286CS..Hα-helixtrans-61.1-49.5171.8-64.5172.8000111.2H42 S43 L48 I49 E50 E89 L90 I93H42-L46 PolarHBondContact O-N 3.47Å; S43-L46 PolarHBondContact O-N 3.31Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.97Å; L46-I49 PolarHBondContact O-N 2.97Å; L46-E50 PolarHBondContact O-N 3.36Å; L46-E89 HydrophobicContact CD2-CB 4.12Å; L46-L90 HydrophobicContact CD2-CD2 3.93Å; L46-L90 HydrophobicContact CD2-CG 4.35Å; L46-L90 HydrophobicContact CG-CD2 4.49Å; L46-I93 HydrophobicContact CD2-CG2 3.83Å; L46-I93 WeakPolarHBondContact O-CD1 3.42Å
47E98.2Very high97.8Very high80 Ų8053 Ų5337%0.37427%0.269SS..Hα-helixtrans-59.6-38.2177.1-165.6-151136.100111.3R7 S43 E50 R51R7-E47 IonicContact CZ-OE1 2.71Å; R7-E47 IonicContact CZ-OE2 3.09Å; R7-E47 IonicContact NH1-OE1 3.24Å; R7-E47 PolarHBondContact NH1-OE1 3.5Å; R7-E47 IonicContact NH1-OE2 3.58Å; R7-E47 IonicContact NH2-OE1 3.65Å; R7-E47 PolarHBondContact NH2-OE1 3.02Å; R7-E47 IonicContact NH2-OE2 3.41Å; R7-E47 PolarHBondContact NH2-OE2 3.24Å; S43-E47 PolarHBondContact O-N 3.32Å; E47-E50 PolarHBondContact O-N 3.13Å; E47-R51 WeakPolarHBondContact O-CB 3.37Å; E47-R51 PolarHBondContact O-N 3.43Å; E47-R51 IonicContact OE1-NH1 2.77Å; E47-R51 PolarHBondContact OE1-NH1 3.35Å
48L97.9Very high97.9Very high25 Ų2556.7 Ų56.713%0.13129%0.285CS..Hα-helixtrans-63.8-44.3177.6-177.164.5000111.9Y10 M11 F30 Q44 S45 L46 R51 V52Y10-L48 HydrophobicContact CD1-CD1 3.86Å; Y10-L48 HydrophobicContact CD1-CD2 4.43Å; Y10-L48 HydrophobicContact CE1-CD1 3.9Å; Y10-L48 HydrophobicContact CE1-CD2 4.34Å; Y10-L48 HydrophobicContact CE1-CG 4.49Å; M11-L48 HydrophobicContact CG-CD1 4.33Å; M11-L48 HydrophobicContact SD-CD1 3.34Å; M11-L48 WeakPolarHBondContact SD-CD1 3.38Å; F30-L48 HydrophobicContact CE1-CD2 4.13Å; F30-L48 HydrophobicContact CZ-CD2 4.27Å; Q44-L48 VanDerWaalsContact O-CB 3.24Å; Q44-L48 WeakPolarHBondContact O-CB 3.22Å; Q44-L48 PolarHBondContact O-N 2.66Å; S45-L48 PolarHBondContact O-N 3.21Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.97Å; L48-R51 PolarHBondContact O-N 3.27Å; L48-V52 HydrophobicContact CD1-CG2 3.79Å; L48-V52 HydrophobicContact CG-CG2 4.35Å; L48-V52 WeakPolarHBondContact O-CB 3.32Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.21Å; L48-V52 PolarHBondContact O-N 2.97Å
49I98.2Very high97.9Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-63.3-45.1176.7-66.4164.4000110.7F30 S45 L46 R51 G53 Y54 L90 I93 K97F30-I49 HydrophobicContact CD1-CD1 4.18Å; F30-I49 HydrophobicContact CD1-CG1 4.43Å; F30-I49 HydrophobicContact CD2-CD1 3.92Å; F30-I49 HydrophobicContact CD2-CG1 4.1Å; F30-I49 HydrophobicContact CE1-CD1 4.13Å; F30-I49 HydrophobicContact CE1-CG1 3.88Å; F30-I49 HydrophobicContact CE2-CD1 3.86Å; F30-I49 HydrophobicContact CE2-CG1 3.5Å; F30-I49 VanDerWaalsContact CE2-CG1 3.5Å; F30-I49 HydrophobicContact CG-CD1 4.09Å; F30-I49 HydrophobicContact CZ-CD1 3.98Å; F30-I49 HydrophobicContact CZ-CG1 3.38Å; S45-I49 WeakPolarHBondContact O-CG1 3.49Å; S45-I49 PolarHBondContact O-N 3.23Å; L46-I49 PolarHBondContact O-N 2.97Å; I49-R51 VanDerWaalsContact C-N 3.32Å; I49-R51 PolarHBondContact O-N 3.48Å; I49-G53 PolarHBondContact O-N 3.24Å; I49-Y54 HydrophobicContact CB-CD2 4.45Å; I49-Y54 HydrophobicContact CG1-CD2 4.33Å; I49-Y54 HydrophobicContact CG1-CE2 4.28Å; I49-Y54 HydrophobicContact CG2-CD2 4.36Å; I49-L90 HydrophobicContact CD1-CB 4.48Å; I49-L90 HydrophobicContact CD1-CD2 3.48Å; I49-L90 VanDerWaalsContact CD1-CD2 3.48Å; I49-I93 HydrophobicContact CB-CG2 4.21Å; I49-I93 HydrophobicContact CD1-CG2 4Å; I49-I93 HydrophobicContact CG2-CG1 4.21Å; I49-I93 HydrophobicContact CG2-CG2 3.92Å; I49-K97 HydrophobicContact CG2-CG 4.41Å
50E97.8Very high97.8Very high97 Ų9755.9 Ų55.945%0.45328%0.277SS..Hα-helixtrans-56.4-48.4177.5-173.260.9-15100111.3L46 E47 I93 K97L46-E50 PolarHBondContact O-N 3.36Å; E47-E50 PolarHBondContact O-N 3.13Å; E50-I93 HydrophobicContact CB-CD1 3.95Å; E50-I93 WeakPolarHBondContact OE2-CD1 3.36Å; E50-K97 VanDerWaalsContact CD-NZ 3.32Å; E50-K97 WeakPolarHBondContact OE1-CE 3.24Å; E50-K97 IonicContact OE1-NZ 3.8Å; E50-K97 PolarHBondContact OE1-NZ 3.47Å; E50-K97 WeakPolarHBondContact OE2-CE 3.32Å; E50-K97 IonicContact OE2-NZ 2.99Å; E50-K97 PolarHBondContact OE2-NZ 3.02Å
51R96.9Very high97.8Very high163 Ų16352.8 Ų52.862%0.61527%0.268SS*.Hα-helixtrans-78.7-34.3-169.6-163.4170.3179.3169.4-2.4113.6M11 E47 L48 I49M11-R51 HydrophobicContact CE-CB 4.28Å; M11-R51 HydrophobicContact CE-CG 3.73Å; E47-R51 WeakPolarHBondContact O-CB 3.37Å; E47-R51 PolarHBondContact O-N 3.43Å; E47-R51 IonicContact OE1-NH1 2.77Å; E47-R51 PolarHBondContact OE1-NH1 3.35Å; L48-R51 PolarHBondContact O-N 3.27Å; I49-R51 VanDerWaalsContact C-N 3.32Å; I49-R51 PolarHBondContact O-N 3.48Å
52V97.6Very high97.8Very high8 Ų850.6 Ų50.65%0.04826%0.255CS..Hα-helixtrans-78.4-33.8176.1178.10000111Y10 M11 V14 L26 L48 Y54Y10-V52 HydrophobicContact CE1-CG2 4.16Å; M11-V52 HydrophobicContact CE-CG2 4.31Å; M11-V52 HydrophobicContact SD-CG2 3.88Å; V14-V52 HydrophobicContact CG1-CG1 4.03Å; V14-V52 HydrophobicContact CG1-CG2 4.24Å; V14-V52 HydrophobicContact CG2-CG1 4.35Å; V14-V52 HydrophobicContact CG2-CG2 4.2Å; L26-V52 HydrophobicContact CB-CG1 4.49Å; L26-V52 HydrophobicContact CD1-CG1 3.92Å; L48-V52 HydrophobicContact CD1-CG2 3.79Å; L48-V52 HydrophobicContact CG-CG2 4.35Å; L48-V52 WeakPolarHBondContact O-CB 3.32Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.21Å; L48-V52 PolarHBondContact O-N 2.97Å; V52-Y54 HydrophobicContact CB-CD2 4Å; V52-Y54 HydrophobicContact CB-CE1 4.17Å; V52-Y54 HydrophobicContact CB-CE2 3.61Å; V52-Y54 HydrophobicContact CB-CG 4.43Å; V52-Y54 HydrophobicContact CG1-CD1 3.71Å; V52-Y54 HydrophobicContact CG1-CD2 4.08Å; V52-Y54 HydrophobicContact CG1-CE1 3.45Å; V52-Y54 VanDerWaalsContact CG1-CE1 3.45Å; V52-Y54 HydrophobicContact CG1-CE2 3.84Å; V52-Y54 HydrophobicContact CG1-CG 4.02Å; V52-Y54 HydrophobicContact CG2-CE2 4.08Å
53G95.8Very high97.7Very high31 Ų3153.8 Ų53.832%0.3228%0.278SS..THydrogen-bonded Turntrans67.442.5179.600000113I49I49-G53 PolarHBondContact O-N 3.24Å
54Y98.1Very high97.6Very high2 Ų252.9 Ų52.91%0.00827%0.266CS..  trans-50.7139.5-179.9-59.5-81.2000112.1Y10 L26 S28 F30 I49 V52 F56 C57Y10-Y54 WeakPolarHBondContact CE1-OH 3.45Å; Y10-Y54 WeakPolarHBondContact OH-CE1 3.37Å; Y10-Y54 PolarHBondContact OH-OH 2.99Å; L26-Y54 HydrophobicContact CB-CD1 3.94Å; L26-Y54 HydrophobicContact CB-CE1 4.42Å; L26-Y54 CarbonylContact O-C 3.57Å; L26-Y54 WeakPolarHBondContact O-CA 3.44Å; L26-Y54 WeakPolarHBondContact O-CB 3.24Å; S28-Y54 VanDerWaalsContact CB-CE1 3.5Å; F30-Y54 HydrophobicContact CE2-CD2 4.3Å; F30-Y54 AromaticContact CE2-CE2 3.91Å; F30-Y54 HydrophobicContact CE2-CE2 3.91Å; F30-Y54 AromaticContact CZ-CE2 3.75Å; F30-Y54 HydrophobicContact CZ-CE2 3.75Å; I49-Y54 HydrophobicContact CB-CD2 4.45Å; I49-Y54 HydrophobicContact CG1-CD2 4.33Å; I49-Y54 HydrophobicContact CG1-CE2 4.28Å; I49-Y54 HydrophobicContact CG2-CD2 4.36Å; V52-Y54 HydrophobicContact CB-CD2 4Å; V52-Y54 HydrophobicContact CB-CE1 4.17Å; V52-Y54 HydrophobicContact CB-CE2 3.61Å; V52-Y54 HydrophobicContact CB-CG 4.43Å; V52-Y54 HydrophobicContact CG1-CD1 3.71Å; V52-Y54 HydrophobicContact CG1-CD2 4.08Å; V52-Y54 HydrophobicContact CG1-CE1 3.45Å; V52-Y54 VanDerWaalsContact CG1-CE1 3.45Å; V52-Y54 HydrophobicContact CG1-CE2 3.84Å; V52-Y54 HydrophobicContact CG1-CG 4.02Å; V52-Y54 HydrophobicContact CG2-CE2 4.08Å; Y54-F56 VanDerWaalsContact C-N 3.28Å; Y54-F56 PolarHBondContact O-N 3.03Å; Y54-C57 WeakPolarHBondContact CB-SG 3.32Å
55S97.2Very high97.5Very high8 Ų857 Ų576%0.05628%0.278CS..SBendtrans-71.3-26.1176.259.80000112.6S25 L26 T27 S98 F101S25-S55 VanDerWaalsContact OG-CB 3.29Å; S25-S55 WeakPolarHBondContact OG-CB 3.36Å; S25-S55 PolarHBondContact OG-OG 3.03Å; L26-S55 PolarHBondContact O-N 3.05Å; L26-S55 PolarHBondContact O-OG 3.16Å; T27-S55 WeakPolarHBondContact CG2-OG 3.04Å; S55-S98 WeakPolarHBondContact O-CA 3.5Å; S55-S98 VanDerWaalsContact O-CB 3.27Å; S55-S98 WeakPolarHBondContact O-CB 3.36Å; S55-S98 PolarHBondContact O-OG 3.09Å; S55-S98 VanDerWaalsContact O-OG 3.09Å; S55-F101 VanDerWaalsContact CB-CE1 3.44Å
56F97.2Very high97.5Very high94 Ų9462.6 Ų62.641%0.41230%0.301SS..EExtended strand (participates in β ladder)trans-158.7140.6174.9-171.1-97000110.8T27 S28 Y54 F58T27-F56 WeakPolarHBondContact CA-O 3.29Å; T27-F56 VanDerWaalsContact CB-O 3.32Å; T27-F56 WeakPolarHBondContact CB-O 3.22Å; T27-F56 HydrophobicContact CG2-CB 3.94Å; S28-F56 PolarHBondContact N-O 3.17Å; Y54-F56 VanDerWaalsContact C-N 3.28Å; Y54-F56 PolarHBondContact O-N 3.03Å; F56-F58 HydrophobicContact CD1-CD2 4.19Å; F56-F58 HydrophobicContact CD1-CE2 4.08Å; F56-F58 HydrophobicContact CD1-CZ 4.41Å; F56-F58 AromaticContact CE1-CD1 3.8Å; F56-F58 HydrophobicContact CE1-CD1 3.8Å; F56-F58 AromaticContact CE1-CD2 3.72Å; F56-F58 HydrophobicContact CE1-CD2 3.72Å; F56-F58 AromaticContact CE1-CE1 3.65Å; F56-F58 HydrophobicContact CE1-CE1 3.65Å; F56-F58 AromaticContact CE1-CE2 3.58Å; F56-F58 HydrophobicContact CE1-CE2 3.58Å; F56-F58 AromaticContact CE1-CG 3.84Å; F56-F58 HydrophobicContact CE1-CG 3.84Å; F56-F58 AromaticContact CE1-CZ 3.54Å; F56-F58 HydrophobicContact CE1-CZ 3.54Å; F56-F58 HydrophobicContact CZ-CD1 4.31Å; F56-F58 HydrophobicContact CZ-CE1 4.08Å; F56-F58 HydrophobicContact CZ-CZ 4.28Å
57C98.2Very high97.3Very high11 Ų1169.3 Ų69.37%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-128.6137.7169.1-57.90000111.6S28 F30 Y54 S94S28-C57 CarbonylContact O-C 3.51Å; S28-C57 WeakPolarHBondContact O-CA 3.39Å; F30-C57 HydrophobicContact CD2-CB 4.14Å; F30-C57 HydrophobicContact CE2-CB 4.41Å; Y54-C57 WeakPolarHBondContact CB-SG 3.32Å; C57-S94 WeakPolarHBondContact CB-OG 3.45Å
58F98.1Very high97.2Very high103 Ų10367.9 Ų67.945%0.45233%0.326SS..EExtended strand (participates in β ladder)trans-85.1128.4159.9-68.3-80.3000109.4S28 D29 F30 F56 F60S28-F58 PolarHBondContact O-N 2.86Å; D29-F58 CarbonylContact C-O 3.52Å; D29-F58 WeakPolarHBondContact CA-O 2.9Å; D29-F58 WeakPolarHBondContact OD1-CB 3.49Å; D29-F58 VanDerWaalsContact OD1-CD2 3.27Å; D29-F58 WeakPolarHBondContact OD1-CD2 3.19Å; F30-F58 PolarHBondContact N-O 3.17Å; F56-F58 HydrophobicContact CD1-CD2 4.19Å; F56-F58 HydrophobicContact CD1-CE2 4.08Å; F56-F58 HydrophobicContact CD1-CZ 4.41Å; F56-F58 AromaticContact CE1-CD1 3.8Å; F56-F58 HydrophobicContact CE1-CD1 3.8Å; F56-F58 AromaticContact CE1-CD2 3.72Å; F56-F58 HydrophobicContact CE1-CD2 3.72Å; F56-F58 AromaticContact CE1-CE1 3.65Å; F56-F58 HydrophobicContact CE1-CE1 3.65Å; F56-F58 AromaticContact CE1-CE2 3.58Å; F56-F58 HydrophobicContact CE1-CE2 3.58Å; F56-F58 AromaticContact CE1-CG 3.84Å; F56-F58 HydrophobicContact CE1-CG 3.84Å; F56-F58 AromaticContact CE1-CZ 3.54Å; F56-F58 HydrophobicContact CE1-CZ 3.54Å; F56-F58 HydrophobicContact CZ-CD1 4.31Å; F56-F58 HydrophobicContact CZ-CE1 4.08Å; F56-F58 HydrophobicContact CZ-CZ 4.28Å; F58-F60 HydrophobicContact CB-CD2 4.37Å; F58-F60 HydrophobicContact CB-CE2 3.57Å; F58-F60 HydrophobicContact CB-CZ 4.03Å; F58-F60 HydrophobicContact CD1-CE2 4.44Å; F58-F60 HydrophobicContact CD1-CZ 4.09Å; F58-F60 HydrophobicContact CG-CE2 4.31Å; F58-F60 HydrophobicContact CG-CZ 4.41Å
59C98.2Very high97Very high15 Ų1570.9 Ų70.910%0.10134%0.338CS..EExtended strand (participates in β ladder)trans-120.3132.2177.1-60.80000108.6F30 H87 L90 A91F30-C59 WeakPolarHBondContact O-CA 3.41Å; C59-H87 PolarHBondContact O-CD2 3.48Å; C59-H87 PolarHBondContact O-NE2 2.89Å; C59-L90 HydrophobicContact CB-CB 4.23Å; C59-A91 HydrophobicContact CB-CB 4.48Å
60F98.1Very high96.9Very high110 Ų11071.3 Ų71.348%0.48234%0.341SS..EExtended strand (participates in β ladder)trans-137.5140.8178.8-59.7-74.3000111.2F30 I31 A32 F58F30-F60 PolarHBondContact O-N 3.38Å; I31-F60 CarbonylContact C-O 3.57Å; I31-F60 VanDerWaalsContact CA-O 3.25Å; I31-F60 WeakPolarHBondContact CA-O 3.48Å; A32-F60 PolarHBondContact N-O 2.98Å; F58-F60 HydrophobicContact CB-CD2 4.37Å; F58-F60 HydrophobicContact CB-CE2 3.57Å; F58-F60 HydrophobicContact CB-CZ 4.03Å; F58-F60 HydrophobicContact CD1-CE2 4.44Å; F58-F60 HydrophobicContact CD1-CZ 4.09Å; F58-F60 HydrophobicContact CG-CE2 4.31Å; F58-F60 HydrophobicContact CG-CZ 4.41Å
61P97.9Very high96.8Very high64 Ų6472.1 Ų72.142%0.41634%0.341SS..EExtended strand (participates in β ladder)trans-67.2142164.830.4-33.1000109.7S63 K83 H87P61-S63 PolarHBondContact O-N 3.3Å; P61-K83 HydrophobicContact CB-CB 4.18Å; P61-H87 HydrophobicContact CB-CB 4.37Å
62Y97.9Very high96.8Very high23 Ų2369.7 Ų69.79%0.0934%0.337CS..  trans-63.7131.4177.6179.4-115.1000111.1I31 A32 G33 F34 C35 M64 A70 K83I31-Y62 HydrophobicContact CG2-CD2 3.92Å; I31-Y62 HydrophobicContact CG2-CG 4.22Å; A32-Y62 WeakPolarHBondContact O-CB 3.48Å; A32-Y62 PolarHBondContact O-N 3.41Å; G33-Y62 VanDerWaalsContact O-CB 3.23Å; G33-Y62 WeakPolarHBondContact O-CB 3.39Å; F34-Y62 AromaticContact CD2-CD2 3.69Å; F34-Y62 HydrophobicContact CD2-CD2 3.69Å; F34-Y62 HydrophobicContact CD2-CE1 4.45Å; F34-Y62 AromaticContact CD2-CE2 3.53Å; F34-Y62 HydrophobicContact CD2-CE2 3.53Å; F34-Y62 HydrophobicContact CD2-CG 4.2Å; F34-Y62 AromaticContact CD2-CZ 3.94Å; F34-Y62 HydrophobicContact CE2-CD2 4.36Å; F34-Y62 AromaticContact CE2-CE2 3.74Å; F34-Y62 HydrophobicContact CE2-CE2 3.74Å; F34-Y62 AromaticContact CE2-CZ 3.96Å; C35-Y62 WeakPolarHBondContact SG-CE1 3.49Å; Y62-M64 HydrophobicContact CE1-SD 4.45Å; Y62-M64 PolarHBondContact OH-SD 3.49Å; Y62-A70 VanDerWaalsContact OH-CB 3.31Å; Y62-A70 WeakPolarHBondContact OH-CB 3.32Å; Y62-K83 WeakPolarHBondContact O-CD 3.47Å; Y62-K83 PolarHBondContact O-NZ 3.36Å; Y62-K83 VanDerWaalsContact O-NZ 3.11Å
63S95.8Very high96.7Very high71 Ų7175.3 Ų75.350%0.49736%0.362SS..  trans-127.6124.7171.8175.50000108.3P61 R65P61-S63 PolarHBondContact O-N 3.3Å; S63-R65 PolarHBondContact O-N 2.85Å
64M96Very high96.7Very high52 Ų5276.9 Ų76.926%0.25636%0.363SS..  trans-57.8131.7178.5-173.364.59200110.4Y62 A70 Y71 D76Y62-M64 HydrophobicContact CE1-SD 4.45Å; Y62-M64 PolarHBondContact OH-SD 3.49Å; M64-A70 HydrophobicContact SD-CB 4.22Å; M64-Y71 HydrophobicContact CG-CD2 3.95Å; M64-Y71 WeakPolarHBondContact SD-CA 3.27Å; M64-Y71 PolarHBondContact SD-N 3.47Å; M64-D76 HydrophobicContact CE-CB 3.98Å
65R96.5Very high96.7Very high173 Ų17381.9 Ų81.965%0.65339%0.394SS*.  trans-114.1124.4178.3-58.7-55.6-167.7137.13.4109.5S63 T68 Y71S63-R65 PolarHBondContact O-N 2.85Å; R65-T68 HydrophobicContact CB-CG2 3.74Å; R65-T68 WeakPolarHBondContact O-CB 3.4Å; R65-T68 WeakPolarHBondContact O-CG2 3.35Å; R65-T68 PolarHBondContact O-OG1 3.33Å; R65-Y71 WeakPolarHBondContact O-CB 3.42Å
66E96.7Very high96.6Very high145 Ų14584.5 Ų84.568%0.67841%0.407SS*.THydrogen-bonded Turntrans-54.1154.4175.5-64.4-176.4177.600111.9T68 Y71E66-T68 PolarHBondContact O-N 3.22Å; E66-T68 VanDerWaalsContact O-N 3.12Å; E66-Y71 HydrophobicContact CG-CE2 4.24Å
67K95.9Very high96.6Very high180 Ų18084.5 Ų84.578%0.78341%0.411SS*.THydrogen-bonded Turntrans6019.6177.1-50.8179.2-176.9176.10114.5
68T95Very high96.6Very high51 Ų5184.6 Ų84.631%0.31341%0.411SS..SBendtrans-101.4160171.666.20000111.2R65 E66 A70 Y71 H72R65-T68 HydrophobicContact CB-CG2 3.74Å; R65-T68 WeakPolarHBondContact O-CB 3.4Å; R65-T68 WeakPolarHBondContact O-CG2 3.35Å; R65-T68 PolarHBondContact O-OG1 3.33Å; E66-T68 PolarHBondContact O-N 3.22Å; E66-T68 VanDerWaalsContact O-N 3.12Å; T68-A70 PolarHBondContact O-N 3.39Å; T68-Y71 WeakPolarHBondContact O-CB 3.29Å; T68-Y71 PolarHBondContact O-N 2.84Å; T68-Y71 VanDerWaalsContact O-N 3.12Å; T68-Y71 PolarHBondContact OG1-N 3.3Å; T68-H72 PolarHBondContact O-CD2 3.06Å; T68-H72 PolarHBondContact O-N 3.04Å; T68-H72 VanDerWaalsContact O-N 3.12Å
69F94.6Very high96.6Very high87 Ų8782.6 Ų82.638%0.38241%0.409SS..Hα-helixtrans-54.1-41.4172.3180-87000111.7R2 Y71 H72 H73 L74R2-F69 VanDerWaalsContact CZ-CZ 3.46Å; F69-Y71 VanDerWaalsContact C-N 3.34Å; F69-Y71 PolarHBondContact O-N 3.14Å; F69-H72 PolarHBondContact O-N 3.3Å; F69-H73 HydrophobicContact CD1-CB 4.45Å; F69-H73 AromaticContact CD2-CD2 3.36Å; F69-H73 WeakPolarHBondContact CD2-CD2 3.49Å; F69-H73 HydrophobicContact CE1-CB 3.87Å; F69-H73 HydrophobicContact CE2-CB 4.07Å; F69-H73 AromaticContact CE2-CD2 3.22Å; F69-H73 WeakPolarHBondContact CE2-CD2 3.41Å; F69-H73 AromaticContact CE2-CG 3.77Å; F69-H73 AromaticContact CE2-NE2 3.97Å; F69-H73 AromaticContact CG-CD2 3.98Å; F69-H73 HydrophobicContact CZ-CB 3.63Å; F69-H73 AromaticContact CZ-CD2 3.74Å; F69-H73 AromaticContact CZ-CG 3.84Å; F69-H73 WeakPolarHBondContact O-CB 3.48Å; F69-H73 PolarHBondContact O-CD2 3.38Å; F69-H73 PolarHBondContact O-N 2.96Å; F69-L74 HydrophobicContact CE1-CD2 4.37Å; F69-L74 HydrophobicContact CE1-CG 4.32Å
70A94.8Very high96.6Very high10 Ų1088.4 Ų88.48%0.08344%0.438CS..Hα-helixtrans-61.6-43.3178.500000111.5F34 Y62 M64 T68 H72 L74F34-A70 HydrophobicContact CE2-CB 4.14Å; F34-A70 HydrophobicContact CZ-CB 4.15Å; Y62-A70 VanDerWaalsContact OH-CB 3.31Å; Y62-A70 WeakPolarHBondContact OH-CB 3.32Å; M64-A70 HydrophobicContact SD-CB 4.22Å; T68-A70 PolarHBondContact O-N 3.39Å; A70-H72 VanDerWaalsContact C-N 3.34Å; A70-H72 PolarHBondContact O-N 3.32Å; A70-L74 HydrophobicContact CB-CD1 3.89Å; A70-L74 HydrophobicContact CB-CG 4.45Å; A70-L74 WeakPolarHBondContact O-CA 3.17Å; A70-L74 WeakPolarHBondContact O-CB 3.46Å; A70-L74 PolarHBondContact O-N 2.94Å; A70-L74 VanDerWaalsContact O-O 3.08Å
71Y96.2Very high96.6Very high114 Ų11489.2 Ų89.245%0.44744%0.443SS..Hα-helixtrans-62-38.3176.4173.5-96.9000113.7M64 R65 E66 T68 F69M64-Y71 HydrophobicContact CG-CD2 3.95Å; M64-Y71 WeakPolarHBondContact SD-CA 3.27Å; M64-Y71 PolarHBondContact SD-N 3.47Å; R65-Y71 WeakPolarHBondContact O-CB 3.42Å; E66-Y71 HydrophobicContact CG-CE2 4.24Å; T68-Y71 WeakPolarHBondContact O-CB 3.29Å; T68-Y71 PolarHBondContact O-N 2.84Å; T68-Y71 VanDerWaalsContact O-N 3.12Å; T68-Y71 PolarHBondContact OG1-N 3.3Å; F69-Y71 VanDerWaalsContact C-N 3.34Å; F69-Y71 PolarHBondContact O-N 3.14Å
72H96.7Very high96.7Very high112 Ų11287.6 Ų87.652%0.51943%0.432SS..Hα-helixtrans-82.8-24.5-176.9-68-57.3000114.4T68 F69 A70T68-H72 PolarHBondContact O-CD2 3.06Å; T68-H72 PolarHBondContact O-N 3.04Å; T68-H72 VanDerWaalsContact O-N 3.12Å; F69-H72 PolarHBondContact O-N 3.3Å; A70-H72 VanDerWaalsContact C-N 3.34Å; A70-H72 PolarHBondContact O-N 3.32Å
73H96.1Very high96.7Very high126 Ų12687.2 Ų87.258%0.58343%0.43SS*.Hα-helixtrans-135.7-7.5-164.6-58-64000115.2F69F69-H73 HydrophobicContact CD1-CB 4.45Å; F69-H73 AromaticContact CD2-CD2 3.36Å; F69-H73 WeakPolarHBondContact CD2-CD2 3.49Å; F69-H73 HydrophobicContact CE1-CB 3.87Å; F69-H73 HydrophobicContact CE2-CB 4.07Å; F69-H73 AromaticContact CE2-CD2 3.22Å; F69-H73 WeakPolarHBondContact CE2-CD2 3.41Å; F69-H73 AromaticContact CE2-CG 3.77Å; F69-H73 AromaticContact CE2-NE2 3.97Å; F69-H73 AromaticContact CG-CD2 3.98Å; F69-H73 HydrophobicContact CZ-CB 3.63Å; F69-H73 AromaticContact CZ-CD2 3.74Å; F69-H73 AromaticContact CZ-CG 3.84Å; F69-H73 WeakPolarHBondContact O-CB 3.48Å; F69-H73 PolarHBondContact O-CD2 3.38Å; F69-H73 PolarHBondContact O-N 2.96Å
74L96.2Very high96.8Very high63 Ų6390.2 Ų90.233%0.3344%0.435SS..  trans-120.6148.5179.7-54.2178.7000109.8F34 C35 F69 A70F34-L74 HydrophobicContact CE1-CD1 3.73Å; F34-L74 HydrophobicContact CZ-CD1 3.5Å; F34-L74 VanDerWaalsContact CZ-CD1 3.5Å; C35-L74 HydrophobicContact CB-CB 3.79Å; C35-L74 HydrophobicContact CB-CD1 4.05Å; F69-L74 HydrophobicContact CE1-CD2 4.37Å; F69-L74 HydrophobicContact CE1-CG 4.32Å; A70-L74 HydrophobicContact CB-CD1 3.89Å; A70-L74 HydrophobicContact CB-CG 4.45Å; A70-L74 WeakPolarHBondContact O-CA 3.17Å; A70-L74 WeakPolarHBondContact O-CB 3.46Å; A70-L74 PolarHBondContact O-N 2.94Å; A70-L74 VanDerWaalsContact O-O 3.08Å
75T96.7Very high97Very high108 Ų10892 Ų9266%0.66344%0.439SS*.  trans-92.9131.9171.7-56.10000108.5C35 D77C35-T75 VanDerWaalsContact CB-O 3.22Å; C35-T75 WeakPolarHBondContact CB-O 3.49Å; C35-T75 PolarHBondContact SG-O 3.16Å; C35-T75 VanDerWaalsContact SG-O 3.33Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 HydrophobicContact CG2-CB 4.29Å; T75-D77 PolarHBondContact O-N 2.79Å
76D96.6Very high97.1Very high63 Ų6384.3 Ų84.334%0.33741%0.409SS..  trans-78.883.3168.9-168.515.9000109.5M64 K83M64-D76 HydrophobicContact CE-CB 3.98Å; D76-K83 VanDerWaalsContact OD1-CE 3.29Å; D76-K83 WeakPolarHBondContact OD1-CE 3.47Å; D76-K83 IonicContact OD1-NZ 3.4Å; D76-K83 PolarHBondContact OD1-NZ 3.12Å; D76-K83 IonicContact OD2-NZ 2.74Å; D76-K83 PolarHBondContact OD2-NZ 2.82Å
77D97.4Very high97.2Very high93 Ų9379.6 Ų79.650%0.49739%0.387SS..  trans-97.8-6.1-171.458.9-8.8000113.9G36 T75 P79G36-D77 WeakPolarHBondContact CA-OD1 3.35Å; G36-D77 PolarHBondContact N-OD1 2.97Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 HydrophobicContact CG2-CB 4.29Å; T75-D77 PolarHBondContact O-N 2.79Å; D77-P79 WeakPolarHBondContact O-CD 3.49Å
78V98.1Very high97.3Very high13 Ų1374.8 Ų74.88%0.07937%0.37CS..SBendtrans-83119.9176.2-175.40000109.7F34 E37 V82 K83F34-V78 WeakPolarHBondContact O-CG2 3.43Å; E37-V78 HydrophobicContact CB-CG2 4.38Å; V78-V82 HydrophobicContact CG1-CB 3.95Å; V78-V82 HydrophobicContact CG1-CG1 3.76Å; V78-K83 HydrophobicContact CB-CG 4.35Å; V78-K83 HydrophobicContact CG1-CG 3.88Å; V78-K83 VanDerWaalsContact O-CE 3.24Å; V78-K83 WeakPolarHBondContact O-CE 3.3Å
79P98.2Very high97.5Very high61 Ų6174.9 Ų74.940%0.39637%0.367SS..  trans-61.4150.3180-23.133.6000113.4D77 E81 V82 K83D77-P79 WeakPolarHBondContact O-CD 3.49Å; P79-E81 VanDerWaalsContact C-N 3.3Å; P79-E81 VanDerWaalsContact CB-CD 3.49Å; P79-E81 HydrophobicContact CB-CG 4.37Å; P79-E81 WeakPolarHBondContact CB-OE1 3.44Å; P79-E81 PolarHBondContact O-N 3.04Å; P79-V82 HydrophobicContact CB-CG2 4.16Å; P79-V82 HydrophobicContact CG-CG2 4.21Å; P79-V82 WeakPolarHBondContact O-CB 3.2Å; P79-V82 PolarHBondContact O-N 2.72Å; P79-K83 PolarHBondContact O-N 3.45Å
80I97.9Very high97.7Very high138 Ų13870.8 Ų70.871%0.70835%0.349SS*.Hα-helixtrans-62.2-36.3-174.8-169.2167.3000112.7V82 K83 K84I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.16Å; I80-K83 PolarHBondContact O-N 3.37Å; I80-K84 WeakPolarHBondContact O-CB 3.12Å; I80-K84 PolarHBondContact O-N 2.92Å
81E98.3Very high97.9Very high127 Ų12772 Ų7259%0.59336%0.359SS*.Hα-helixtrans-65-35.5174.760.5-79.818000112.4P79 K84 R85P79-E81 VanDerWaalsContact C-N 3.3Å; P79-E81 VanDerWaalsContact CB-CD 3.49Å; P79-E81 HydrophobicContact CB-CG 4.37Å; P79-E81 WeakPolarHBondContact CB-OE1 3.44Å; P79-E81 PolarHBondContact O-N 3.04Å; E81-K84 PolarHBondContact O-N 3.42Å; E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 PolarHBondContact O-N 3.21Å
82V98.6Very high98Very high30 Ų3072.2 Ų72.218%0.18237%0.365CS..Hα-helixtrans-69.7-45.9175.3177.50000110V78 P79 I80 K84 R85 R86V78-V82 HydrophobicContact CG1-CB 3.95Å; V78-V82 HydrophobicContact CG1-CG1 3.76Å; P79-V82 HydrophobicContact CB-CG2 4.16Å; P79-V82 HydrophobicContact CG-CG2 4.21Å; P79-V82 WeakPolarHBondContact O-CB 3.2Å; P79-V82 PolarHBondContact O-N 2.72Å; I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.16Å; V82-K84 VanDerWaalsContact C-N 3.27Å; V82-K84 PolarHBondContact O-N 3.32Å; V82-R85 PolarHBondContact O-N 3.06Å; V82-R86 HydrophobicContact CG1-CG 4.26Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 VanDerWaalsContact O-CG 3.32Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 2.89Å
83K98.6Very high98.1Very high14 Ų1468 Ų686%0.06135%0.347CS..Hα-helixtrans-54.1-45.5173.9-66.9179.9175.5-176.50111.8G33 P61 Y62 D76 V78 P79 I80 H87G33-K83 VanDerWaalsContact O-CE 3.27Å; G33-K83 WeakPolarHBondContact O-CE 3.41Å; P61-K83 HydrophobicContact CB-CB 4.18Å; Y62-K83 WeakPolarHBondContact O-CD 3.47Å; Y62-K83 PolarHBondContact O-NZ 3.36Å; Y62-K83 VanDerWaalsContact O-NZ 3.11Å; D76-K83 VanDerWaalsContact OD1-CE 3.29Å; D76-K83 WeakPolarHBondContact OD1-CE 3.47Å; D76-K83 IonicContact OD1-NZ 3.4Å; D76-K83 PolarHBondContact OD1-NZ 3.12Å; D76-K83 IonicContact OD2-NZ 2.74Å; D76-K83 PolarHBondContact OD2-NZ 2.82Å; V78-K83 HydrophobicContact CB-CG 4.35Å; V78-K83 HydrophobicContact CG1-CG 3.88Å; V78-K83 VanDerWaalsContact O-CE 3.24Å; V78-K83 WeakPolarHBondContact O-CE 3.3Å; P79-K83 PolarHBondContact O-N 3.45Å; I80-K83 PolarHBondContact O-N 3.37Å; K83-H87 VanDerWaalsContact O-CB 3.25Å; K83-H87 WeakPolarHBondContact O-CB 3.4Å; K83-H87 PolarHBondContact O-N 3.17Å
84K98.6Very high98.2Very high135 Ų13562.2 Ų62.259%0.58732%0.32SS*.Hα-helixtrans-64.5-50.8179.9-174.9-179.5177.2-175.40111.6I80 E81 V82 R86 H87 D88I80-K84 WeakPolarHBondContact O-CB 3.12Å; I80-K84 PolarHBondContact O-N 2.92Å; E81-K84 PolarHBondContact O-N 3.42Å; V82-K84 VanDerWaalsContact C-N 3.27Å; V82-K84 PolarHBondContact O-N 3.32Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-R86 PolarHBondContact O-N 2.98Å; K84-H87 WeakPolarHBondContact O-CB 3.44Å; K84-H87 PolarHBondContact O-N 2.91Å; K84-D88 PolarHBondContact O-N 3.41Å
85R98.7Very high98.3Very high90 Ų9068.4 Ų68.434%0.3434%0.339SS..Hα-helixtrans-55.3-50.3177.4178.2-174.562.981.8-4.9111.2E39 E81 V82 H87 D88 E89E39-R85 IonicContact OE1-NH2 2.73Å; E39-R85 PolarHBondContact OE1-NH2 2.89Å; E39-R85 IonicContact OE2-CZ 3.73Å; E39-R85 IonicContact OE2-NH1 3.69Å; E39-R85 IonicContact OE2-NH2 2.85Å; E39-R85 PolarHBondContact OE2-NH2 2.84Å; E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 PolarHBondContact O-N 3.21Å; V82-R85 PolarHBondContact O-N 3.06Å; R85-H87 PolarHBondContact O-N 3.43Å; R85-D88 PolarHBondContact O-N 2.94Å; R85-E89 VanDerWaalsContact CG-OE1 3.23Å; R85-E89 WeakPolarHBondContact CG-OE1 3.32Å; R85-E89 IonicContact CZ-OE1 3.81Å; R85-E89 IonicContact NH1-OE1 2.81Å; R85-E89 PolarHBondContact NH1-OE1 3.49Å; R85-E89 IonicContact NH1-OE2 3.23Å; R85-E89 PolarHBondContact NH1-OE2 3.21Å; R85-E89 WeakPolarHBondContact O-CG 3.43Å; R85-E89 PolarHBondContact O-N 2.77Å
86R98.7Very high98.3Very high10 Ų1067.1 Ų67.14%0.03833%0.328CS..Hα-helixtrans-62.8-42.3-179.8-69.8-175.1-177.7166.43112.2A32 E37 E39 H42 V82 K84 D88 E89 L90A32-R86 HydrophobicContact CB-CB 3.89Å; E37-R86 PolarHBondContact O-NH1 3.35Å; E37-R86 PolarHBondContact O-NH2 3.27Å; E37-R86 VanDerWaalsContact OE2-CD 3.24Å; E37-R86 WeakPolarHBondContact OE2-CD 3.43Å; E37-R86 IonicContact OE2-CZ 2.73Å; E37-R86 IonicContact OE2-NE 3.48Å; E37-R86 IonicContact OE2-NH1 2.71Å; E37-R86 PolarHBondContact OE2-NH1 3.37Å; E39-R86 IonicContact OE1-CZ 3.6Å; E39-R86 IonicContact OE1-NE 3.8Å; E39-R86 PolarHBondContact OE1-NE 3Å; E39-R86 IonicContact OE1-NH2 2.7Å; E39-R86 PolarHBondContact OE1-NH2 3.44Å; H42-R86 HydrophobicContact CB-CG 4.37Å; H42-R86 VanDerWaalsContact CE1-CA 3.46Å; H42-R86 WeakPolarHBondContact CE1-CA 3.27Å; H42-R86 WeakPolarHBondContact CE1-CB 3.43Å; H42-R86 PolarHBondContact CE1-O 3.01Å; V82-R86 HydrophobicContact CG1-CG 4.26Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 VanDerWaalsContact O-CG 3.32Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 2.89Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-R86 PolarHBondContact O-N 2.98Å; R86-D88 VanDerWaalsContact C-N 3.34Å; R86-D88 PolarHBondContact O-N 3.24Å; R86-E89 PolarHBondContact O-N 3.43Å; R86-L90 WeakPolarHBondContact O-CG 3.36Å; R86-L90 PolarHBondContact O-N 3.12Å
87H98.7Very high98.4Very high47 Ų4765 Ų6522%0.21832%0.316CS..Hα-helixtrans-57.1-46.9172.7161-90.1000111.8A32 C59 P61 K83 K84 R85 E89 L90 A91A32-H87 HydrophobicContact CB-CB 3.96Å; C59-H87 PolarHBondContact O-CD2 3.48Å; C59-H87 PolarHBondContact O-NE2 2.89Å; P61-H87 HydrophobicContact CB-CB 4.37Å; K83-H87 VanDerWaalsContact O-CB 3.25Å; K83-H87 WeakPolarHBondContact O-CB 3.4Å; K83-H87 PolarHBondContact O-N 3.17Å; K84-H87 WeakPolarHBondContact O-CB 3.44Å; K84-H87 PolarHBondContact O-N 2.91Å; R85-H87 PolarHBondContact O-N 3.43Å; H87-E89 VanDerWaalsContact C-N 3.32Å; H87-E89 PolarHBondContact O-N 2.99Å; H87-L90 PolarHBondContact O-N 3.09Å; H87-A91 VanDerWaalsContact O-CB 3.31Å; H87-A91 WeakPolarHBondContact O-CB 3.27Å; H87-A91 PolarHBondContact O-N 2.71Å
88D98.7Very high98.4Very high79 Ų7961.3 Ų61.342%0.42230%0.297SS..Hα-helixtrans-65-38.6-178-66-14000111K84 R85 R86 A91 M92K84-D88 PolarHBondContact O-N 3.41Å; R85-D88 PolarHBondContact O-N 2.94Å; R86-D88 VanDerWaalsContact C-N 3.34Å; R86-D88 PolarHBondContact O-N 3.24Å; D88-A91 PolarHBondContact O-N 2.69Å; D88-M92 VanDerWaalsContact O-CB 3.3Å; D88-M92 WeakPolarHBondContact O-CB 3.46Å; D88-M92 PolarHBondContact O-N 3.12Å
89E98.8Very high98.3Very high53 Ų5365.2 Ų65.225%0.24832%0.317CS..Hα-helixtrans-63.5-47173.9-70.4168.2-166.700112.1H42 L46 R85 R86 H87 M92 I93H42-E89 IonicContact CD2-OE2 3.21Å; H42-E89 PolarHBondContact CD2-OE2 3.42Å; H42-E89 IonicContact CE1-OE2 3.49Å; H42-E89 IonicContact NE2-OE2 3.65Å; H42-E89 PolarHBondContact NE2-OE2 3.06Å; L46-E89 HydrophobicContact CD2-CB 4.12Å; R85-E89 VanDerWaalsContact CG-OE1 3.23Å; R85-E89 WeakPolarHBondContact CG-OE1 3.32Å; R85-E89 IonicContact CZ-OE1 3.81Å; R85-E89 IonicContact NH1-OE1 2.81Å; R85-E89 PolarHBondContact NH1-OE1 3.49Å; R85-E89 IonicContact NH1-OE2 3.23Å; R85-E89 PolarHBondContact NH1-OE2 3.21Å; R85-E89 WeakPolarHBondContact O-CG 3.43Å; R85-E89 PolarHBondContact O-N 2.77Å; R86-E89 PolarHBondContact O-N 3.43Å; H87-E89 VanDerWaalsContact C-N 3.32Å; H87-E89 PolarHBondContact O-N 2.99Å; E89-M92 PolarHBondContact O-N 3.27Å; E89-I93 WeakPolarHBondContact O-CG2 3.32Å; E89-I93 PolarHBondContact O-N 3.13Å; E89-I93 VanDerWaalsContact O-N 3.1Å
90L98.8Very high98.2Very high1 Ų166.1 Ų66.11%0.00532%0.316CS..Hα-helixtrans-62.5-42.3175.8-69.8166.1000111.9F30 A32 L46 I49 C59 R86 H87 I93 S94F30-L90 HydrophobicContact CB-CD1 4.23Å; A32-L90 HydrophobicContact CB-CD1 3.79Å; L46-L90 HydrophobicContact CD2-CD2 3.93Å; L46-L90 HydrophobicContact CD2-CG 4.35Å; L46-L90 HydrophobicContact CG-CD2 4.49Å; I49-L90 HydrophobicContact CD1-CB 4.48Å; I49-L90 HydrophobicContact CD1-CD2 3.48Å; I49-L90 VanDerWaalsContact CD1-CD2 3.48Å; C59-L90 HydrophobicContact CB-CB 4.23Å; R86-L90 WeakPolarHBondContact O-CG 3.36Å; R86-L90 PolarHBondContact O-N 3.12Å; H87-L90 PolarHBondContact O-N 3.09Å; L90-I93 VanDerWaalsContact O-CG2 3.29Å; L90-I93 WeakPolarHBondContact O-CG2 3.11Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 2.97Å; L90-S94 PolarHBondContact O-OG 3.39Å
91A98.5Very high98.1Very high35 Ų3561.1 Ų61.129%0.28929%0.29SS..Hα-helixtrans-65.3-40.3178.600000111.5C59 H87 D88 R95C59-A91 HydrophobicContact CB-CB 4.48Å; H87-A91 VanDerWaalsContact O-CB 3.31Å; H87-A91 WeakPolarHBondContact O-CB 3.27Å; H87-A91 PolarHBondContact O-N 2.71Å; D88-A91 PolarHBondContact O-N 2.69Å; A91-R95 VanDerWaalsContact O-CB 3.25Å; A91-R95 WeakPolarHBondContact O-CB 3.31Å; A91-R95 PolarHBondContact O-N 3.21Å
92M98.5Very high98Very high118 Ų11858 Ų5858%0.58128%0.277SS*.Hα-helixtrans-63.5-52.4178.2-179.1176.863.200111.7D88 E89 S94 R95 N96D88-M92 VanDerWaalsContact O-CB 3.3Å; D88-M92 WeakPolarHBondContact O-CB 3.46Å; D88-M92 PolarHBondContact O-N 3.12Å; E89-M92 PolarHBondContact O-N 3.27Å; M92-S94 PolarHBondContact O-N 3.4Å; M92-R95 PolarHBondContact O-N 3.29Å; M92-N96 VanDerWaalsContact O-CG 3.3Å; M92-N96 PolarHBondContact O-N 2.99Å
93I98.5Very high97.8Very high25 Ų2561.8 Ų61.813%0.12829%0.293CS..Hα-helixtrans-64.6-41.2179.7-167.7174.1000111.6L46 I49 E50 E89 L90 R95 N96 K97L46-I93 HydrophobicContact CD2-CG2 3.83Å; L46-I93 WeakPolarHBondContact O-CD1 3.42Å; I49-I93 HydrophobicContact CB-CG2 4.21Å; I49-I93 HydrophobicContact CD1-CG2 4Å; I49-I93 HydrophobicContact CG2-CG1 4.21Å; I49-I93 HydrophobicContact CG2-CG2 3.92Å; E50-I93 HydrophobicContact CB-CD1 3.95Å; E50-I93 WeakPolarHBondContact OE2-CD1 3.36Å; E89-I93 WeakPolarHBondContact O-CG2 3.32Å; E89-I93 PolarHBondContact O-N 3.13Å; E89-I93 VanDerWaalsContact O-N 3.1Å; L90-I93 VanDerWaalsContact O-CG2 3.29Å; L90-I93 WeakPolarHBondContact O-CG2 3.11Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 2.69Å; I93-N96 PolarHBondContact O-N 3.12Å; I93-K97 PolarHBondContact O-N 3.17Å
94S98.3Very high97.6Very high4 Ų468.9 Ų68.93%0.02832%0.324CS..Hα-helixtrans-60.3-42176.1-61.90000111.8C57 L90 M92 K97 S98C57-S94 WeakPolarHBondContact CB-OG 3.45Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 2.97Å; L90-S94 PolarHBondContact O-OG 3.39Å; M92-S94 PolarHBondContact O-N 3.4Å; S94-K97 PolarHBondContact O-N 3.49Å; S94-S98 WeakPolarHBondContact O-CB 3.14Å; S94-S98 PolarHBondContact O-N 2.93Å; S94-S98 PolarHBondContact O-OG 3.08Å
95R98.1Very high97.4Very high193 Ų19363 Ų6373%0.72830%0.298SS*.Hα-helixtrans-63.8-42176.3-177.1-177.1-178.6951.6111.6A91 M92 I93 S98 L99A91-R95 VanDerWaalsContact O-CB 3.25Å; A91-R95 WeakPolarHBondContact O-CB 3.31Å; A91-R95 PolarHBondContact O-N 3.21Å; M92-R95 PolarHBondContact O-N 3.29Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 2.69Å; R95-S98 PolarHBondContact O-N 3.12Å; R95-L99 WeakPolarHBondContact O-CB 3.45Å; R95-L99 PolarHBondContact O-N 3.36Å
96N98.3Very high97.3Very high81 Ų8162.5 Ų62.543%0.43330%0.302SS..Hα-helixtrans-62.4-46.7177.8-68.1-14.4000110.9M92 I93 L99 E100M92-N96 VanDerWaalsContact O-CG 3.3Å; M92-N96 PolarHBondContact O-N 2.99Å; I93-N96 PolarHBondContact O-N 3.12Å; N96-L99 WeakPolarHBondContact O-CB 3.43Å; N96-L99 PolarHBondContact O-N 3.32Å; N96-E100 WeakPolarHBondContact O-CG 3.44Å; N96-E100 PolarHBondContact O-N 3.48Å
97K97.7Very high97.1Very high18 Ų1864.5 Ų64.58%0.07833%0.325CS..Hα-helixtrans-64.7-40.1176-65.2-47.1-175.9-165.90113.7I49 E50 I93 S94 L99 E100 F101I49-K97 HydrophobicContact CG2-CG 4.41Å; E50-K97 VanDerWaalsContact CD-NZ 3.32Å; E50-K97 WeakPolarHBondContact OE1-CE 3.24Å; E50-K97 IonicContact OE1-NZ 3.8Å; E50-K97 PolarHBondContact OE1-NZ 3.47Å; E50-K97 WeakPolarHBondContact OE2-CE 3.32Å; E50-K97 IonicContact OE2-NZ 2.99Å; E50-K97 PolarHBondContact OE2-NZ 3.02Å; I93-K97 PolarHBondContact O-N 3.17Å; S94-K97 PolarHBondContact O-N 3.49Å; K97-L99 VanDerWaalsContact C-N 3.27Å; K97-L99 PolarHBondContact O-N 3.25Å; K97-E100 WeakPolarHBondContact CD-OE2 3.37Å; K97-E100 IonicContact NZ-OE1 3.48Å; K97-E100 PolarHBondContact NZ-OE1 3Å; K97-E100 VanDerWaalsContact NZ-OE1 3.09Å; K97-E100 IonicContact NZ-OE2 3.71Å; K97-E100 PolarHBondContact NZ-OE2 3.34Å; K97-E100 PolarHBondContact O-N 3.1Å; K97-F101 WeakPolarHBondContact O-CB 3.49Å; K97-F101 PolarHBondContact O-N 2.91Å
98S97.1Very high97Very high15 Ų1564.7 Ų64.711%0.10533%0.329CS..Hα-helixtrans-60.3-39.6173.1-550000111.4S55 S94 R95 N102S55-S98 WeakPolarHBondContact O-CA 3.5Å; S55-S98 VanDerWaalsContact O-CB 3.27Å; S55-S98 WeakPolarHBondContact O-CB 3.36Å; S55-S98 PolarHBondContact O-OG 3.09Å; S55-S98 VanDerWaalsContact O-OG 3.09Å; S94-S98 WeakPolarHBondContact O-CB 3.14Å; S94-S98 PolarHBondContact O-N 2.93Å; S94-S98 PolarHBondContact O-OG 3.08Å; R95-S98 PolarHBondContact O-N 3.12Å; S98-N102 WeakPolarHBondContact O-CB 3.47Å; S98-N102 PolarHBondContact O-N 3.02Å; S98-N102 PolarHBondContact O-ND2 3.1Å
99L96.6Very high96.9Very high95 Ų9567 Ų6750%0.49734%0.34SS..Hα-helixtrans-67.4-47.5176.717961.8000111.7R95 N96 K97 F101 N102 Q103R95-L99 WeakPolarHBondContact O-CB 3.45Å; R95-L99 PolarHBondContact O-N 3.36Å; N96-L99 WeakPolarHBondContact O-CB 3.43Å; N96-L99 PolarHBondContact O-N 3.32Å; K97-L99 VanDerWaalsContact C-N 3.27Å; K97-L99 PolarHBondContact O-N 3.25Å; L99-F101 VanDerWaalsContact C-N 3.28Å; L99-F101 PolarHBondContact O-N 2.91Å; L99-N102 PolarHBondContact O-N 3.4Å; L99-Q103 HydrophobicContact CD1-CG 4.13Å; L99-Q103 HydrophobicContact CG-CG 4.37Å; L99-Q103 WeakPolarHBondContact O-CB 3.36Å; L99-Q103 VanDerWaalsContact O-CG 3.3Å; L99-Q103 WeakPolarHBondContact O-CG 2.97Å; L99-Q103 PolarHBondContact O-N 3.46Å
100E96.6Very high96.8Very high80 Ų8065.1 Ų65.137%0.37433%0.332SS..Hα-helixtrans-55.6-44.2175-71.5171.7-154.700111.2N96 K97 Q103 K104N96-E100 WeakPolarHBondContact O-CG 3.44Å; N96-E100 PolarHBondContact O-N 3.48Å; K97-E100 WeakPolarHBondContact CD-OE2 3.37Å; K97-E100 IonicContact NZ-OE1 3.48Å; K97-E100 PolarHBondContact NZ-OE1 3Å; K97-E100 VanDerWaalsContact NZ-OE1 3.09Å; K97-E100 IonicContact NZ-OE2 3.71Å; K97-E100 PolarHBondContact NZ-OE2 3.34Å; K97-E100 PolarHBondContact O-N 3.1Å; E100-Q103 PolarHBondContact O-N 3.38Å; E100-K104 WeakPolarHBondContact O-CG 3.17Å; E100-K104 PolarHBondContact O-N 3.01Å
101F95.8Very high96.7Very high34 Ų3469.1 Ų69.115%0.14935%0.352CS..Hα-helixtrans-62.7-46.9176.8-177.1-96.5000112.1S55 K97 L99 Q103 K104 Q105 Y131S55-F101 VanDerWaalsContact CB-CE1 3.44Å; K97-F101 WeakPolarHBondContact O-CB 3.49Å; K97-F101 PolarHBondContact O-N 2.91Å; L99-F101 VanDerWaalsContact C-N 3.28Å; L99-F101 PolarHBondContact O-N 2.91Å; F101-Q103 PolarHBondContact O-N 3.41Å; F101-K104 PolarHBondContact O-N 3.41Å; F101-Q105 VanDerWaalsContact CD1-NE2 3.29Å; F101-Y131 HydrophobicContact CE1-CD2 4.26Å; F101-Y131 HydrophobicContact CE1-CG 4.07Å; F101-Y131 AromaticContact CZ-CD1 4Å; F101-Y131 HydrophobicContact CZ-CD1 4Å; F101-Y131 HydrophobicContact CZ-CD2 4.14Å; F101-Y131 AromaticContact CZ-CG 3.77Å; F101-Y131 HydrophobicContact CZ-CG 3.77Å
102N95Very high96.7Very high60 Ų6067.5 Ų67.532%0.32134%0.339SS..Hα-helixtrans-67.8-34.8179.3-69.4-30.5000112.3S98 L99 K104 Q105S98-N102 WeakPolarHBondContact O-CB 3.47Å; S98-N102 PolarHBondContact O-N 3.02Å; S98-N102 PolarHBondContact O-ND2 3.1Å; L99-N102 PolarHBondContact O-N 3.4Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.29Å; N102-Q105 WeakPolarHBondContact O-CB 3.25Å; N102-Q105 PolarHBondContact O-N 2.9Å; N102-Q105 VanDerWaalsContact O-N 3.09Å
103Q95.5Very high96.7Very high111 Ų11164.5 Ų64.552%0.51933%0.325SS..Hα-helixtrans-63.2-35.8176.8-77.9175.4-27.400112.4L99 E100 F101 Q105 I106L99-Q103 HydrophobicContact CD1-CG 4.13Å; L99-Q103 HydrophobicContact CG-CG 4.37Å; L99-Q103 WeakPolarHBondContact O-CB 3.36Å; L99-Q103 VanDerWaalsContact O-CG 3.3Å; L99-Q103 WeakPolarHBondContact O-CG 2.97Å; L99-Q103 PolarHBondContact O-N 3.46Å; E100-Q103 PolarHBondContact O-N 3.38Å; F101-Q103 PolarHBondContact O-N 3.41Å; Q103-Q105 PolarHBondContact O-N 3.48Å; Q103-I106 PolarHBondContact O-N 3.33Å
104K94.6Very high96.6Very high163 Ų16363.3 Ų63.371%0.70932%0.319SS*.THydrogen-bonded Turntrans-64.4-16.4175-68.9170.9-176.7176.70113.4E100 F101 N102E100-K104 WeakPolarHBondContact O-CG 3.17Å; E100-K104 PolarHBondContact O-N 3.01Å; F101-K104 PolarHBondContact O-N 3.41Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.29Å
105Q94.3Very high96.6Very high12 Ų1267.3 Ų67.36%0.05634%0.337CS..THydrogen-bonded Turntrans-87.2-14.8178.9-62.9-178.744.100113.1F101 N102 Q103 G107 T108 N129 Y131 V167F101-Q105 VanDerWaalsContact CD1-NE2 3.29Å; N102-Q105 WeakPolarHBondContact O-CB 3.25Å; N102-Q105 PolarHBondContact O-N 2.9Å; N102-Q105 VanDerWaalsContact O-N 3.09Å; Q103-Q105 PolarHBondContact O-N 3.48Å; Q105-G107 PolarHBondContact O-N 3.11Å; Q105-T108 WeakPolarHBondContact O-CB 3.4Å; Q105-T108 WeakPolarHBondContact O-CG2 3.25Å; Q105-T108 PolarHBondContact O-N 2.78Å; Q105-T108 PolarHBondContact O-OG1 2.83Å; Q105-N129 PolarHBondContact OE1-ND2 2.67Å; Q105-Y131 HydrophobicContact CG-CD2 4.38Å; Q105-Y131 HydrophobicContact CG-CE2 4.21Å; Q105-V167 WeakPolarHBondContact O-CB 3.4Å
106I95.5Very high96.5Very high79 Ų7958.4 Ų58.441%0.40531%0.305SS..THydrogen-bonded Turntrans-62.7131.5179.1-62.3173.3000109.4Q103 T108 V167 K169Q103-I106 PolarHBondContact O-N 3.33Å; I106-T108 VanDerWaalsContact C-N 3.3Å; I106-V167 WeakPolarHBondContact CA-O 3.03Å; I106-K169 HydrophobicContact CG2-CB 4.4Å
107G95.8Very high96.3Very high51 Ų5158.7 Ų58.753%0.52631%0.311SS..THydrogen-bonded Turntrans80.93.7-17600000114.5Q105 V167Q105-G107 PolarHBondContact O-N 3.11Å; G107-V167 PolarHBondContact N-O 3.02Å
108T96Very high96.1Very high51 Ų5158.2 Ų58.231%0.31331%0.31SS..  trans-88.9148.8174.168.10000111.4Q105 I106 Q110 V167Q105-T108 WeakPolarHBondContact O-CB 3.4Å; Q105-T108 WeakPolarHBondContact O-CG2 3.25Å; Q105-T108 PolarHBondContact O-N 2.78Å; Q105-T108 PolarHBondContact O-OG1 2.83Å; I106-T108 VanDerWaalsContact C-N 3.3Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.18Å; T108-Q110 PolarHBondContact OG1-NE2 3.2Å; T108-V167 PolarHBondContact O-N 3.5Å
109I96.6Very high95.9Very high128 Ų12869 Ų6966%0.65635%0.349SS*.EExtended strand (participates in β ladder)trans-92.3127.4170.1-62.2176000107.9V164 V165I109-V164 HydrophobicContact CG2-CG1 3.2Å; I109-V165 CarbonylContact C-O 3.54Å; I109-V165 WeakPolarHBondContact CA-O 3.47Å
110Q96Very high95.6Very high13 Ų1375.6 Ų75.66%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-132.2144.2-173.5-59.1-173.6-9.200111.6T108 N129 V164 V165 V167T108-Q110 WeakPolarHBondContact OG1-CG 3.18Å; T108-Q110 PolarHBondContact OG1-NE2 3.2Å; Q110-N129 HydrophobicContact CB-CB 4.46Å; Q110-N129 PolarHBondContact OE1-ND2 3.47Å; Q110-V164 WeakPolarHBondContact O-CA 3.43Å; Q110-V165 HydrophobicContact CB-CG2 4.43Å; Q110-V165 PolarHBondContact N-O 2.94Å; Q110-V165 PolarHBondContact O-N 3.43Å; Q110-V167 VanDerWaalsContact CD-CG2 3.46Å; Q110-V167 HydrophobicContact CG-CG2 3.97Å
111I97.3Very high95.5Very high86 Ų8672.9 Ų72.944%0.44136%0.357SS..EExtended strand (participates in β ladder)trans-82.3132.7167.5-61.8174000107.7N129 Y162 V163 V164I111-N129 WeakPolarHBondContact O-CA 3.33Å; I111-Y162 HydrophobicContact CG2-CD1 3.67Å; I111-Y162 HydrophobicContact CG2-CE1 4.47Å; I111-V163 CarbonylContact C-O 3.51Å; I111-V163 WeakPolarHBondContact CA-O 3.29Å; I111-V164 HydrophobicContact CG1-CG2 4.39Å
112V97.6Very high95.1Very high0 Ų076.8 Ų76.80%039%0.385CS..EExtended strand (participates in β ladder)trans-127.9126.5-179.5175.70000110.1R128 N129 V135 F137 Y162 V163 V165V112-R128 WeakPolarHBondContact CA-O 3.47Å; V112-N129 HydrophobicContact CG2-CB 4.26Å; V112-V135 HydrophobicContact CG1-CB 4.32Å; V112-V135 HydrophobicContact CG2-CB 4.1Å; V112-V135 HydrophobicContact CG2-CG1 4.31Å; V112-V135 HydrophobicContact CG2-CG2 3.94Å; V112-F137 HydrophobicContact CG1-CE1 3.77Å; V112-F137 HydrophobicContact CG1-CZ 4.35Å; V112-Y162 WeakPolarHBondContact O-CA 3.43Å; V112-V163 HydrophobicContact CB-CG2 4.03Å; V112-V163 PolarHBondContact N-O 3.32Å; V112-V163 PolarHBondContact O-N 3.46Å; V112-V165 HydrophobicContact CG2-CG2 3.56Å
113L98.3Very high95.1Very high55 Ų5578.3 Ų78.329%0.28840%0.397SS..EExtended strand (participates in β ladder)trans-82.1118168.4174.160.9000109.4E115 G127 R128 Y162L113-E115 PolarHBondContact O-N 2.92Å; L113-G127 CarbonylContact O-C 3.58Å; L113-G127 WeakPolarHBondContact O-CA 3.49Å; L113-R128 PolarHBondContact N-O 2.86Å; L113-R128 PolarHBondContact O-N 3.39Å; L113-Y162 HydrophobicContact CB-CD1 4.27Å; L113-Y162 HydrophobicContact CB-CE1 3.88Å; L113-Y162 HydrophobicContact CD1-CD2 4.29Å; L113-Y162 HydrophobicContact CD1-CE1 4.2Å; L113-Y162 HydrophobicContact CD1-CE2 3.88Å
114V97.8Very high95.1Very high1 Ų175.6 Ų75.61%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-72.8125.9177.9-173.30000109.9V125 F137 F157 K158 P159 G160 D161 V163V114-V125 HydrophobicContact CG1-CB 4.14Å; V114-V125 HydrophobicContact CG1-CG2 4.27Å; V114-F137 HydrophobicContact CG2-CE2 4.49Å; V114-F137 HydrophobicContact CG2-CZ 3.76Å; V114-F157 HydrophobicContact CG1-CB 4.49Å; V114-F157 HydrophobicContact CG2-CB 4.25Å; V114-K158 WeakPolarHBondContact CB-O 3.49Å; V114-P159 CarbonylContact O-C 3.43Å; V114-P159 WeakPolarHBondContact O-CA 3.46Å; V114-G160 PolarHBondContact O-N 3.49Å; V114-D161 HydrophobicContact CB-CB 4.45Å; V114-D161 HydrophobicContact CG2-CB 4.09Å; V114-D161 WeakPolarHBondContact CG2-O 3.39Å; V114-D161 PolarHBondContact N-O 2.81Å; V114-V163 HydrophobicContact CG2-CG1 4.23Å; V114-V163 HydrophobicContact CG2-CG2 4.14Å
115E97.4Very high95.1Very high88 Ų8868 Ų6841%0.41135%0.352SS..EExtended strand (participates in β ladder)trans-104.8-32.6179.6-72.1-170.3-173.400112.8L113 F126 R128L113-E115 PolarHBondContact O-N 2.92Å; E115-F126 HydrophobicContact CB-CD2 4.24Å; E115-F126 HydrophobicContact CB-CE2 3.67Å; E115-F126 HydrophobicContact CB-CZ 3.84Å; E115-F126 HydrophobicContact CG-CE2 4.39Å; E115-F126 PolarHBondContact N-O 3.18Å; E115-F126 VanDerWaalsContact OE2-CE2 3.22Å; E115-F126 WeakPolarHBondContact OE2-CE2 3.49Å; E115-R128 WeakPolarHBondContact OE1-CG 3.41Å; E115-R128 IonicContact OE1-NE 2.67Å
116G95.6Very high95.2Very high5 Ų569.1 Ų69.15%0.05236%0.356CS..EExtended strand (participates in β ladder)trans167.6-174.4-178.300000115.7V125 F126G116-V125 CarbonylContact O-C 3.59Å; G116-V125 VanDerWaalsContact O-CA 3.32Å; G116-V125 WeakPolarHBondContact O-CA 3.35Å; G116-V125 WeakPolarHBondContact O-CB 3.22Å; G116-F126 PolarHBondContact N-O 2.67Å; G116-F126 WeakPolarHBondContact O-CD1 3.31Å; G116-F126 PolarHBondContact O-N 2.7Å
117P94.8Very high95.3Very high87 Ų8765.3 Ų65.357%0.56534%0.337SS*.EExtended strand (participates in β ladder)trans-67.2142.5178.228.6-34.4000111.2R119 F126P117-R119 PolarHBondContact O-N 3.44Å; P117-F126 VanDerWaalsContact O-CD1 3.32Å; P117-F126 WeakPolarHBondContact O-CD1 3.43Å; P117-F126 WeakPolarHBondContact O-CE1 3.48Å
118S94.1Very high95.4Very high9 Ų967 Ų676%0.06333%0.327CS..  trans-66.2127.9174.31780000110.2R120 S121 Q124S118-R120 PolarHBondContact O-N 2.97Å; S118-R120 VanDerWaalsContact O-N 3.13Å; S118-R120 PolarHBondContact OG-N 3.34Å; S118-S121 WeakPolarHBondContact CB-O 3.21Å; S118-S121 PolarHBondContact O-N 3.49Å; S118-S121 VanDerWaalsContact O-O 3.05Å; S118-Q124 WeakPolarHBondContact CB-O 3.45Å; S118-Q124 PolarHBondContact N-O 3.28Å
119R91.8Very high95.4Very high242 Ų24265 Ų6591%0.91332%0.315SS*.THydrogen-bonded Turntrans-61.8-20.1174.6-68-173.6-179.2176.50.1113.2P117P117-R119 PolarHBondContact O-N 3.44Å
120R91.7Very high95.3Very high233 Ų23365.3 Ų65.388%0.87932%0.318SS*.THydrogen-bonded Turntrans-98.3-18-175.8-67.3-175178.7173.9-0.4113.5S118S118-R120 PolarHBondContact O-N 2.97Å; S118-R120 VanDerWaalsContact O-N 3.13Å; S118-R120 PolarHBondContact OG-N 3.34Å
121S93Very high95.3Very high23 Ų2367.9 Ų67.916%0.16133%0.328CS..  trans-150.6127.3-179.9178.30000111.1S118 T123 Q124S118-S121 WeakPolarHBondContact CB-O 3.21Å; S118-S121 PolarHBondContact O-N 3.49Å; S118-S121 VanDerWaalsContact O-O 3.05Å; S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-N 2.92Å; S121-T123 PolarHBondContact OG-OG1 3Å; S121-Q124 PolarHBondContact O-N 3.35Å
122P89.3Confident95.2Very high115 Ų11568.6 Ų68.675%0.74733%0.332SS*.THydrogen-bonded Turntrans-69.7-19.6176.729.8-34.9000113.3Q124P122-Q124 VanDerWaalsContact C-N 3.31Å
123T93.1Very high95.1Very high92 Ų9270 Ų7056%0.56434%0.341SS*.THydrogen-bonded Turntrans-86.4-3.5178.5620000113.1S121 R139S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-N 2.92Å; S121-T123 PolarHBondContact OG-OG1 3Å; T123-R139 VanDerWaalsContact O-CB 3.24Å; T123-R139 WeakPolarHBondContact O-CB 3.3Å; T123-R139 PolarHBondContact O-N 3.31Å
124Q95.5Very high94.9Very high55 Ų5571.9 Ų71.926%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-119150.6-176.5-63.8-172.4-45.800111.3S118 S121 P122 I136 F137 D138S118-Q124 WeakPolarHBondContact CB-O 3.45Å; S118-Q124 PolarHBondContact N-O 3.28Å; S121-Q124 PolarHBondContact O-N 3.35Å; P122-Q124 VanDerWaalsContact C-N 3.31Å; Q124-I136 HydrophobicContact CB-CG2 3.99Å; Q124-I136 HydrophobicContact CG-CG2 4.5Å; Q124-F137 CarbonylContact C-O 3.47Å; Q124-F137 VanDerWaalsContact CA-O 3.29Å; Q124-F137 WeakPolarHBondContact CA-O 3Å; Q124-F137 WeakPolarHBondContact CB-O 3.36Å; Q124-D138 WeakPolarHBondContact CG-OD1 3.42Å; Q124-D138 PolarHBondContact NE2-OD1 2.99Å
125V96.1Very high94.8Very high4 Ų472.8 Ų72.82%0.02435%0.352CS..EExtended strand (participates in β ladder)trans-107.4168.2166.9-67.20000109.4V114 G116 I136 F137 R139 F157V114-V125 HydrophobicContact CG1-CB 4.14Å; V114-V125 HydrophobicContact CG1-CG2 4.27Å; G116-V125 CarbonylContact O-C 3.59Å; G116-V125 VanDerWaalsContact O-CA 3.32Å; G116-V125 WeakPolarHBondContact O-CA 3.35Å; G116-V125 WeakPolarHBondContact O-CB 3.22Å; V125-I136 WeakPolarHBondContact O-CA 3.24Å; V125-F137 HydrophobicContact CG2-CD1 4.38Å; V125-F137 HydrophobicContact CG2-CD2 3.77Å; V125-F137 HydrophobicContact CG2-CE1 4Å; V125-F137 HydrophobicContact CG2-CE2 3.34Å; V125-F137 HydrophobicContact CG2-CG 4.27Å; V125-F137 HydrophobicContact CG2-CZ 3.46Å; V125-F137 VanDerWaalsContact CG2-CZ 3.46Å; V125-F137 PolarHBondContact N-O 3.26Å; V125-F137 PolarHBondContact O-N 2.98Å; V125-R139 HydrophobicContact CG1-CB 3.94Å; V125-R139 HydrophobicContact CG1-CG 3.83Å; V125-F157 HydrophobicContact CG2-CB 4.47Å
126F96.3Very high94.7Very high34 Ų3472 Ų7215%0.14935%0.35CS..EExtended strand (participates in β ladder)trans-129.2155.8166.978.7-81.7000110.8E115 G116 P117 K134 V135 I136E115-F126 HydrophobicContact CB-CD2 4.24Å; E115-F126 HydrophobicContact CB-CE2 3.67Å; E115-F126 HydrophobicContact CB-CZ 3.84Å; E115-F126 HydrophobicContact CG-CE2 4.39Å; E115-F126 PolarHBondContact N-O 3.18Å; E115-F126 VanDerWaalsContact OE2-CE2 3.22Å; E115-F126 WeakPolarHBondContact OE2-CE2 3.49Å; G116-F126 PolarHBondContact N-O 2.67Å; G116-F126 WeakPolarHBondContact O-CD1 3.31Å; G116-F126 PolarHBondContact O-N 2.7Å; P117-F126 VanDerWaalsContact O-CD1 3.32Å; P117-F126 WeakPolarHBondContact O-CD1 3.43Å; P117-F126 WeakPolarHBondContact O-CE1 3.48Å; F126-K134 VanDerWaalsContact CB-CE 3.49Å; F126-K134 HydrophobicContact CB-CG 4.4Å; F126-K134 HydrophobicContact CD2-CD 4.1Å; F126-K134 VanDerWaalsContact CD2-CE 3.41Å; F126-K134 HydrophobicContact CD2-CG 4.17Å; F126-K134 VanDerWaalsContact CG-CE 3.46Å; F126-V135 CarbonylContact C-O 3.53Å; F126-V135 WeakPolarHBondContact CA-O 3.42Å; F126-V135 WeakPolarHBondContact CB-O 3.34Å; F126-I136 HydrophobicContact CB-CG1 4.17Å
127G97Very high94.6Very high0 Ų073 Ų730%035%0.353CS..EExtended strand (participates in β ladder)trans-150.8-172.1175.900000112.4L113 K134 V135L113-G127 CarbonylContact O-C 3.58Å; L113-G127 WeakPolarHBondContact O-CA 3.49Å; G127-K134 WeakPolarHBondContact O-CA 3.23Å; G127-V135 PolarHBondContact N-O 2.87Å; G127-V135 PolarHBondContact O-N 3.41Å
128R97.3Very high94.6Very high86 Ų8673.2 Ų73.233%0.32535%0.349SS..EExtended strand (participates in β ladder)trans-121.8136175.9-63-69.4-174.9150.66.1110.7V112 L113 E115 N132 T133V112-R128 WeakPolarHBondContact CA-O 3.47Å; L113-R128 PolarHBondContact N-O 2.86Å; L113-R128 PolarHBondContact O-N 3.39Å; E115-R128 WeakPolarHBondContact OE1-CG 3.41Å; E115-R128 IonicContact OE1-NE 2.67Å; R128-N132 WeakPolarHBondContact CD-OD1 3.32Å; R128-N132 PolarHBondContact NH1-O 3.32Å; R128-N132 PolarHBondContact NH1-OD1 3.48Å; R128-T133 WeakPolarHBondContact CA-O 3.45Å
129N96.5Very high94.5Very high8 Ų877.9 Ų77.94%0.04337%0.365CS..  trans-85.6-178.8166.869.16.7000111.3Q105 Q110 I111 V112 Y131 N132 T133 V135Q105-N129 PolarHBondContact OE1-ND2 2.67Å; Q110-N129 HydrophobicContact CB-CB 4.46Å; Q110-N129 PolarHBondContact OE1-ND2 3.47Å; I111-N129 WeakPolarHBondContact O-CA 3.33Å; V112-N129 HydrophobicContact CG2-CB 4.26Å; N129-Y131 PolarHBondContact O-N 3.44Å; N129-Y131 VanDerWaalsContact O-N 3.12Å; N129-Y131 WeakPolarHBondContact OD1-CA 3.22Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.49Å; N129-Y131 PolarHBondContact OD1-N 2.73Å; N129-N132 WeakPolarHBondContact O-CA 3.31Å; N129-N132 PolarHBondContact O-N 3.37Å; N129-N132 PolarHBondContact OD1-N 3.48Å; N129-T133 PolarHBondContact N-O 3.19Å; N129-T133 WeakPolarHBondContact OD1-CA 3.14Å; N129-T133 WeakPolarHBondContact OD1-CB 3.25Å; N129-T133 PolarHBondContact OD1-N 2.96Å; N129-T133 PolarHBondContact OD1-O 2.92Å; N129-V135 HydrophobicContact CB-CG2 4.2Å
130D95.3Very high94.4Very high136 Ų13671.9 Ų71.973%0.72735%0.348SS*.THydrogen-bonded Turntrans-60.6-21179.4-67-20.8000114.2N132D130-N132 PolarHBondContact O-N 3.13Å
131Y96Very high94.2Very high67 Ų6763.5 Ų63.526%0.26332%0.322SS..THydrogen-bonded Turntrans-85.72.6176.3-52.6-50000113.3N23 S25 F101 Q105 N129 T133N23-Y131 WeakPolarHBondContact O-CE1 3.39Å; S25-Y131 PolarHBondContact OG-O 2.71Å; S25-Y131 VanDerWaalsContact OG-O 3.06Å; F101-Y131 HydrophobicContact CE1-CD2 4.26Å; F101-Y131 HydrophobicContact CE1-CG 4.07Å; F101-Y131 AromaticContact CZ-CD1 4Å; F101-Y131 HydrophobicContact CZ-CD1 4Å; F101-Y131 HydrophobicContact CZ-CD2 4.14Å; F101-Y131 AromaticContact CZ-CG 3.77Å; F101-Y131 HydrophobicContact CZ-CG 3.77Å; Q105-Y131 HydrophobicContact CG-CD2 4.38Å; Q105-Y131 HydrophobicContact CG-CE2 4.21Å; N129-Y131 PolarHBondContact O-N 3.44Å; N129-Y131 VanDerWaalsContact O-N 3.12Å; N129-Y131 WeakPolarHBondContact OD1-CA 3.22Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.49Å; N129-Y131 PolarHBondContact OD1-N 2.73Å; Y131-T133 PolarHBondContact O-N 2.97Å
132N95.7Very high93.6Very high101 Ų10167.2 Ų67.254%0.5434%0.344SS..  trans59.422.1-167.6-166.729.6000112.8R128 N129 D130R128-N132 WeakPolarHBondContact CD-OD1 3.32Å; R128-N132 PolarHBondContact NH1-O 3.32Å; R128-N132 PolarHBondContact NH1-OD1 3.48Å; N129-N132 WeakPolarHBondContact O-CA 3.31Å; N129-N132 PolarHBondContact O-N 3.37Å; N129-N132 PolarHBondContact OD1-N 3.48Å; D130-N132 PolarHBondContact O-N 3.13Å
133T94.7Very high92.7Very high29 Ų2964.9 Ų64.918%0.17833%0.325CS..  trans-78.3136.2173.3-60.60000109.3R128 N129 Y131 V135R128-T133 WeakPolarHBondContact CA-O 3.45Å; N129-T133 PolarHBondContact N-O 3.19Å; N129-T133 WeakPolarHBondContact OD1-CA 3.14Å; N129-T133 WeakPolarHBondContact OD1-CB 3.25Å; N129-T133 PolarHBondContact OD1-N 2.96Å; N129-T133 PolarHBondContact OD1-O 2.92Å; Y131-T133 PolarHBondContact O-N 2.97Å; T133-V135 PolarHBondContact O-N 3.4Å
134K94.3Very high91.3Very high94 Ų9465.6 Ų65.641%0.40933%0.329SS..EExtended strand (participates in β ladder)trans-72.8122.2175.4-179.6171.8-178.6160.50110.2F126 G127F126-K134 VanDerWaalsContact CB-CE 3.49Å; F126-K134 HydrophobicContact CB-CG 4.4Å; F126-K134 HydrophobicContact CD2-CD 4.1Å; F126-K134 VanDerWaalsContact CD2-CE 3.41Å; F126-K134 HydrophobicContact CD2-CG 4.17Å; F126-K134 VanDerWaalsContact CG-CE 3.46Å; G127-K134 WeakPolarHBondContact O-CA 3.23Å
135V95Very high89.5Confident21 Ų2168.2 Ų68.213%0.12736%0.361CS..EExtended strand (participates in β ladder)trans-109.2137.9174.8-172.20000108.9V112 F126 G127 N129 T133 F137 V165V112-V135 HydrophobicContact CG1-CB 4.32Å; V112-V135 HydrophobicContact CG2-CB 4.1Å; V112-V135 HydrophobicContact CG2-CG1 4.31Å; V112-V135 HydrophobicContact CG2-CG2 3.94Å; F126-V135 CarbonylContact C-O 3.53Å; F126-V135 WeakPolarHBondContact CA-O 3.42Å; F126-V135 WeakPolarHBondContact CB-O 3.34Å; G127-V135 PolarHBondContact N-O 2.87Å; G127-V135 PolarHBondContact O-N 3.41Å; N129-V135 HydrophobicContact CB-CG2 4.2Å; T133-V135 PolarHBondContact O-N 3.4Å; V135-F137 HydrophobicContact CG1-CD1 4.17Å; V135-V165 HydrophobicContact CG1-CG2 4.28Å
136I95Very high87.6Confident71 Ų7174.3 Ų74.336%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-120.8128.8178-58.3175.4000107.4Q124 V125 F126Q124-I136 HydrophobicContact CB-CG2 3.99Å; Q124-I136 HydrophobicContact CG-CG2 4.5Å; V125-I136 WeakPolarHBondContact O-CA 3.24Å; F126-I136 HydrophobicContact CB-CG1 4.17Å
137F94.4Very high85.7Confident27 Ų2777 Ų7712%0.11842%0.418CS..EExtended strand (participates in β ladder)trans-151.8166.1-176.757.7-81.3000110.4V112 V114 Q124 V125 V135 F157 V163 V165V112-F137 HydrophobicContact CG1-CE1 3.77Å; V112-F137 HydrophobicContact CG1-CZ 4.35Å; V114-F137 HydrophobicContact CG2-CE2 4.49Å; V114-F137 HydrophobicContact CG2-CZ 3.76Å; Q124-F137 CarbonylContact C-O 3.47Å; Q124-F137 VanDerWaalsContact CA-O 3.29Å; Q124-F137 WeakPolarHBondContact CA-O 3Å; Q124-F137 WeakPolarHBondContact CB-O 3.36Å; V125-F137 HydrophobicContact CG2-CD1 4.38Å; V125-F137 HydrophobicContact CG2-CD2 3.77Å; V125-F137 HydrophobicContact CG2-CE1 4Å; V125-F137 HydrophobicContact CG2-CE2 3.34Å; V125-F137 HydrophobicContact CG2-CG 4.27Å; V125-F137 HydrophobicContact CG2-CZ 3.46Å; V125-F137 VanDerWaalsContact CG2-CZ 3.46Å; V125-F137 PolarHBondContact N-O 3.26Å; V125-F137 PolarHBondContact O-N 2.98Å; V135-F137 HydrophobicContact CG1-CD1 4.17Å; F137-F157 HydrophobicContact CD2-CD2 4.19Å; F137-F157 HydrophobicContact CD2-CE2 4.24Å; F137-F157 AromaticContact CE2-CD2 3.65Å; F137-F157 HydrophobicContact CE2-CD2 3.65Å; F137-F157 AromaticContact CE2-CE2 3.98Å; F137-F157 HydrophobicContact CE2-CE2 3.98Å; F137-F157 HydrophobicContact CE2-CG 4.27Å; F137-V163 HydrophobicContact CE1-CG2 4.34Å; F137-V163 HydrophobicContact CE2-CG2 3.78Å; F137-V163 HydrophobicContact CZ-CG2 3.55Å; F137-V165 HydrophobicContact CD1-CG1 4.49Å; F137-V165 HydrophobicContact CD2-CG1 4.45Å; F137-V165 HydrophobicContact CG-CG1 4.35Å
138D94.2Very high83.4Confident91 Ų9183.1 Ų83.149%0.48745%0.454SS..EExtended strand (participates in β ladder)trans-66.6138.9-175.6-65.7-21000111.4Q124 E140Q124-D138 WeakPolarHBondContact CG-OD1 3.42Å; Q124-D138 PolarHBondContact NE2-OD1 2.99Å; D138-E140 VanDerWaalsContact C-N 3.28Å; D138-E140 PolarHBondContact O-N 3.42Å
139R92.4Very high81.3Confident106 Ų10685.9 Ų85.940%0.448%0.476SS..SBendtrans-66.9-33.2-176.8179.7174.9-177.5162.81.6112.4T123 V125 S156 F157T123-R139 VanDerWaalsContact O-CB 3.24Å; T123-R139 WeakPolarHBondContact O-CB 3.3Å; T123-R139 PolarHBondContact O-N 3.31Å; V125-R139 HydrophobicContact CG1-CB 3.94Å; V125-R139 HydrophobicContact CG1-CG 3.83Å; R139-S156 PolarHBondContact NE-OG 2.85Å; R139-S156 WeakPolarHBondContact O-CA 3.27Å; R139-F157 WeakPolarHBondContact O-CD2 3.46Å; R139-F157 PolarHBondContact O-N 2.73Å
140E89.9Confident79.3Confident117 Ų11795 Ų9555%0.54752%0.518SS..EExtended strand (participates in β ladder)trans-123.1134.2-173.9-63.7-177.2172.700110.2D138 M155D138-E140 VanDerWaalsContact C-N 3.28Å; D138-E140 PolarHBondContact O-N 3.42Å; E140-M155 VanDerWaalsContact CA-O 3.25Å; E140-M155 WeakPolarHBondContact CA-O 3.24Å
141V86.7Confident77.5Confident56 Ų5696.1 Ų96.134%0.33952%0.524SS..EExtended strand (participates in β ladder)trans-121.5139.2174.8-65.50000109.9H154 M155 F157V141-H154 WeakPolarHBondContact O-CA 3.29Å; V141-M155 HydrophobicContact CG2-CB 4.02Å; V141-M155 PolarHBondContact N-O 3.4Å; V141-M155 PolarHBondContact O-N 2.74Å; V141-F157 HydrophobicContact CG1-CE2 3.9Å; V141-F157 HydrophobicContact CG1-CZ 4.08Å; V141-F157 HydrophobicContact CG2-CE2 4.2Å; V141-F157 HydrophobicContact CG2-CZ 3.69Å
142T81.2Confident75.6Confident102 Ų10297.2 Ų97.263%0.62654%0.54SS*.EExtended strand (participates in β ladder)trans-79.9119.7171.3-55.30000108.5S153 H154T142-S153 WeakPolarHBondContact CA-O 3.31Å; T142-H154 PolarHBondContact OG1-CE1 2.83Å
143L71.2Confident74.5Confident66 Ų6696.1 Ų96.135%0.34654%0.541SS..PPolyproline II helixtrans-75.3127.7175.7-62.1176.7000108.9S153 M155L143-S153 PolarHBondContact N-O 3.31Å; L143-M155 HydrophobicContact CD1-CB 4.33Å; L143-M155 HydrophobicContact CD2-CB 4.3Å; L143-M155 HydrophobicContact CG-CB 4.31Å
144T63.6Low73.7Confident106 Ų10699.7 Ų99.765%0.6556%0.555SS**PPolyproline II helixtrans-79.8144.3168.547.20000109.5T146 T147T144-T146 PolarHBondContact O-N 3.29Å; T144-T147 PolarHBondContact O-N 2.75Å; T144-T147 PolarHBondContact O-OG1 3.06Å
145A56.7Low73.2Confident110 Ų11099.4 Ų99.491%0.90956%0.556SS**THydrogen-bonded Turntrans-58.4-1.7-166.100000116.8T147A145-T147 VanDerWaalsContact C-N 3.3Å
146T56.7Low73Confident132 Ų132100.9 Ų100.981%0.8157%0.568SS**THydrogen-bonded Turntrans-78.5-13.1176.3-27.90000112.7T144T144-T146 PolarHBondContact O-N 3.29Å
147T55.3Low72.9Confident92 Ų9298.3 Ų98.356%0.56455%0.554SS**SBendtrans-97.195.8174.7-14.60000110.4T144 A145T144-T147 PolarHBondContact O-N 2.75Å; T144-T147 PolarHBondContact O-OG1 3.06Å; A145-T147 VanDerWaalsContact C-N 3.3Å
148V49.1Very low72.8Confident127 Ų127103.5 Ų103.577%0.7758%0.576SS**SBendtrans1122.6165.4-171.80000117.8
149N53.3Low72.9Confident144 Ų144103.3 Ų103.377%0.7758%0.58SS**  trans82114.3170.1-65.1-20.5000118D151N149-D151 VanDerWaalsContact C-N 3.32Å; N149-D151 PolarHBondContact O-N 2.95Å; N149-D151 VanDerWaalsContact O-N 3.09Å
150Q53.9Low73.1Confident200 Ų200100.6 Ų100.694%0.93559%0.585SS**THydrogen-bonded Turntrans-72.912.7-163.8-82-179.4-30.500117.9
151D58.7Low73.4Confident160 Ų16096.8 Ų96.886%0.85657%0.569SS**THydrogen-bonded Turntrans-102.7-10.1-172.5-72.7-24.9000115.5N149N149-D151 VanDerWaalsContact C-N 3.32Å; N149-D151 PolarHBondContact O-N 2.95Å; N149-D151 VanDerWaalsContact O-N 3.09Å
152C56.5Low73.9Confident89 Ų89101.9 Ų101.960%0.60158%0.583SS**  trans-120.2101.8175.7-750000111.6H154C152-H154 VanDerWaalsContact C-N 3.26Å; C152-H154 PolarHBondContact O-N 3.36Å
153S71.3Confident74.5Confident79 Ų7997.7 Ų97.755%0.55256%0.557SS**SBendtrans-70.9-22.4170.6560000113T142 L143T142-S153 WeakPolarHBondContact CA-O 3.31Å; L143-S153 PolarHBondContact N-O 3.31Å
154H78.2Confident75.7Confident104 Ų10499.6 Ų99.648%0.48157%0.571SS.*EExtended strand (participates in β ladder)trans-132138.4-177.4-61.7-70.5000111.7V141 T142 C152V141-H154 WeakPolarHBondContact O-CA 3.29Å; T142-H154 PolarHBondContact OG1-CE1 2.83Å; C152-H154 VanDerWaalsContact C-N 3.26Å; C152-H154 PolarHBondContact O-N 3.36Å
155M84.5Confident77.1Confident87 Ų8795.6 Ų95.643%0.42955%0.547SS..EExtended strand (participates in β ladder)trans-111130.2169-177.6176.6-179.200108.7E140 V141 L143 F157E140-M155 VanDerWaalsContact CA-O 3.25Å; E140-M155 WeakPolarHBondContact CA-O 3.24Å; V141-M155 HydrophobicContact CG2-CB 4.02Å; V141-M155 PolarHBondContact N-O 3.4Å; V141-M155 PolarHBondContact O-N 2.74Å; L143-M155 HydrophobicContact CD1-CB 4.33Å; L143-M155 HydrophobicContact CD2-CB 4.3Å; L143-M155 HydrophobicContact CG-CB 4.31Å; M155-F157 HydrophobicContact CE-CD1 4.19Å; M155-F157 HydrophobicContact CE-CE1 3.89Å; M155-F157 HydrophobicContact CG-CE1 4.2Å; M155-F157 HydrophobicContact SD-CE1 4Å
156S90.3Very high78.9Confident52 Ų5296.5 Ų96.536%0.36453%0.532SS..EExtended strand (participates in β ladder)trans-113.3133.8176.8-165.80000109.9R139R139-S156 PolarHBondContact NE-OG 2.85Å; R139-S156 WeakPolarHBondContact O-CA 3.27Å
157F92.8Very high80.6Confident18 Ų1891.5 Ų91.58%0.07950%0.502CS..  trans-89.9141.1-177.8-52.3-61.3000112.5V114 V125 F137 R139 V141 M155 V163V114-F157 HydrophobicContact CG1-CB 4.49Å; V114-F157 HydrophobicContact CG2-CB 4.25Å; V125-F157 HydrophobicContact CG2-CB 4.47Å; F137-F157 HydrophobicContact CD2-CD2 4.19Å; F137-F157 HydrophobicContact CD2-CE2 4.24Å; F137-F157 AromaticContact CE2-CD2 3.65Å; F137-F157 HydrophobicContact CE2-CD2 3.65Å; F137-F157 AromaticContact CE2-CE2 3.98Å; F137-F157 HydrophobicContact CE2-CE2 3.98Å; F137-F157 HydrophobicContact CE2-CG 4.27Å; R139-F157 WeakPolarHBondContact O-CD2 3.46Å; R139-F157 PolarHBondContact O-N 2.73Å; V141-F157 HydrophobicContact CG1-CE2 3.9Å; V141-F157 HydrophobicContact CG1-CZ 4.08Å; V141-F157 HydrophobicContact CG2-CE2 4.2Å; V141-F157 HydrophobicContact CG2-CZ 3.69Å; M155-F157 HydrophobicContact CE-CD1 4.19Å; M155-F157 HydrophobicContact CE-CE1 3.89Å; M155-F157 HydrophobicContact CG-CE1 4.2Å; M155-F157 HydrophobicContact SD-CE1 4Å; F157-V163 HydrophobicContact CD1-CG1 3.39Å; F157-V163 HydrophobicContact CE1-CB 4.44Å; F157-V163 HydrophobicContact CE1-CG1 3.39Å; F157-V163 HydrophobicContact CG-CG1 4.07Å; F157-V163 HydrophobicContact CZ-CG1 4.05Å
158K93Very high82.3Confident136 Ų13691.7 Ų91.759%0.59151%0.505SS*.  trans-123.8160.8177.165.4-176.8177.4-165.40111.5V114 G160 D161V114-K158 WeakPolarHBondContact CB-O 3.49Å; K158-G160 PolarHBondContact O-N 3.44Å; K158-D161 VanDerWaalsContact CE-OD1 3.32Å; K158-D161 WeakPolarHBondContact CE-OD1 3.39Å; K158-D161 WeakPolarHBondContact CG-OD1 3.32Å; K158-D161 VanDerWaalsContact CG-OD2 3.32Å; K158-D161 WeakPolarHBondContact CG-OD2 3.41Å; K158-D161 PolarHBondContact N-OD2 3.38Å; K158-D161 WeakPolarHBondContact O-CB 3.23Å; K158-D161 PolarHBondContact O-N 3.23Å; K158-D161 VanDerWaalsContact O-N 3.16Å
159P95.5Very high83.7Confident86 Ų8697.4 Ų97.456%0.55852%0.52SS*.THydrogen-bonded Turntrans-53.3133.4174.7-26.435.2000112.4V114V114-P159 CarbonylContact O-C 3.43Å; V114-P159 WeakPolarHBondContact O-CA 3.46Å
160G96.8Very high85.2Confident50 Ų5095.1 Ų95.152%0.51551%0.507SS..THydrogen-bonded Turntrans95-11.4-177.300000114.9V114 K158V114-G160 PolarHBondContact O-N 3.49Å; K158-G160 PolarHBondContact O-N 3.44Å
161D96.2Very high86.9Confident37 Ų3789.5 Ų89.520%0.19849%0.485CS..  trans-70.9145.6172.8-65.9-15.6000110.7V114 K158V114-D161 HydrophobicContact CB-CB 4.45Å; V114-D161 HydrophobicContact CG2-CB 4.09Å; V114-D161 WeakPolarHBondContact CG2-O 3.39Å; V114-D161 PolarHBondContact N-O 2.81Å; K158-D161 VanDerWaalsContact CE-OD1 3.32Å; K158-D161 WeakPolarHBondContact CE-OD1 3.39Å; K158-D161 WeakPolarHBondContact CG-OD1 3.32Å; K158-D161 VanDerWaalsContact CG-OD2 3.32Å; K158-D161 WeakPolarHBondContact CG-OD2 3.41Å; K158-D161 PolarHBondContact N-OD2 3.38Å; K158-D161 WeakPolarHBondContact O-CB 3.23Å; K158-D161 PolarHBondContact O-N 3.23Å; K158-D161 VanDerWaalsContact O-N 3.16Å
162Y96.5Very high88.4Confident163 Ų16385.6 Ų85.664%0.63946%0.464SS*.EExtended strand (participates in β ladder)trans-104.4127.7166.4-75.8-90000109.3I111 V112 L113I111-Y162 HydrophobicContact CG2-CD1 3.67Å; I111-Y162 HydrophobicContact CG2-CE1 4.47Å; V112-Y162 WeakPolarHBondContact O-CA 3.43Å; L113-Y162 HydrophobicContact CB-CD1 4.27Å; L113-Y162 HydrophobicContact CB-CE1 3.88Å; L113-Y162 HydrophobicContact CD1-CD2 4.29Å; L113-Y162 HydrophobicContact CD1-CE1 4.2Å; L113-Y162 HydrophobicContact CD1-CE2 3.88Å
163V95Very high90.3Very high13 Ų1385.4 Ų85.48%0.07946%0.456CS..EExtended strand (participates in β ladder)trans-126.1147.9-179.8-620000110.5I111 V112 V114 F137 F157 V165I111-V163 CarbonylContact C-O 3.51Å; I111-V163 WeakPolarHBondContact CA-O 3.29Å; V112-V163 HydrophobicContact CB-CG2 4.03Å; V112-V163 PolarHBondContact N-O 3.32Å; V112-V163 PolarHBondContact O-N 3.46Å; V114-V163 HydrophobicContact CG2-CG1 4.23Å; V114-V163 HydrophobicContact CG2-CG2 4.14Å; F137-V163 HydrophobicContact CE1-CG2 4.34Å; F137-V163 HydrophobicContact CE2-CG2 3.78Å; F137-V163 HydrophobicContact CZ-CG2 3.55Å; F157-V163 HydrophobicContact CD1-CG1 3.39Å; F157-V163 HydrophobicContact CE1-CB 4.44Å; F157-V163 HydrophobicContact CE1-CG1 3.39Å; F157-V163 HydrophobicContact CG-CG1 4.07Å; F157-V163 HydrophobicContact CZ-CG1 4.05Å; V163-V165 HydrophobicContact CG2-CG1 3.86Å
164V95.2Very high91.5Very high106 Ų10685.8 Ų85.864%0.64245%0.45SS*.EExtended strand (participates in β ladder)trans-96122.8171.3179.40000107.6I109 Q110 I111I109-V164 HydrophobicContact CG2-CG1 3.2Å; Q110-V164 WeakPolarHBondContact O-CA 3.43Å; I111-V164 HydrophobicContact CG1-CG2 4.39Å
165V93.7Very high92.4Very high23 Ų2384.6 Ų84.614%0.13945%0.448CS..EExtended strand (participates in β ladder)trans-123.7149.9-179.8-55.80000110.5I109 Q110 V112 V135 F137 V163I109-V165 CarbonylContact C-O 3.54Å; I109-V165 WeakPolarHBondContact CA-O 3.47Å; Q110-V165 HydrophobicContact CB-CG2 4.43Å; Q110-V165 PolarHBondContact N-O 2.94Å; Q110-V165 PolarHBondContact O-N 3.43Å; V112-V165 HydrophobicContact CG2-CG2 3.56Å; V135-V165 HydrophobicContact CG1-CG2 4.28Å; F137-V165 HydrophobicContact CD1-CG1 4.49Å; F137-V165 HydrophobicContact CD2-CG1 4.45Å; F137-V165 HydrophobicContact CG-CG1 4.35Å; V163-V165 HydrophobicContact CG2-CG1 3.86Å
166E95Very high92.9Very high128 Ų12884.4 Ų84.460%0.59845%0.449SS*.EExtended strand (participates in β ladder)trans-94.2128.3164.5-174.1179.1179.400108.8C168E166-C168 PolarHBondContact O-N 3.3Å
167V92.9Very high93.1Very high28 Ų2886.9 Ų86.917%0.1746%0.456CS..  trans-81.1100.3178.6-1790000109.6Q105 I106 G107 T108 Q110Q105-V167 WeakPolarHBondContact O-CB 3.4Å; I106-V167 WeakPolarHBondContact CA-O 3.03Å; G107-V167 PolarHBondContact N-O 3.02Å; T108-V167 PolarHBondContact O-N 3.5Å; Q110-V167 VanDerWaalsContact CD-CG2 3.46Å; Q110-V167 HydrophobicContact CG-CG2 3.97Å
168C89.5Confident93.2Very high95 Ų9592.7 Ų92.764%0.64249%0.487SS*.  trans-88.9161.4176.1-61.10000112.3E166E166-C168 PolarHBondContact O-N 3.3Å
169K78.9Confident93.2Very high247 Ų24788.7 Ų88.7100%1.07448%0.478SS*.  trans-77.70177.6-174.8-179.4177.7-177.50112.7I106I106-K169 HydrophobicContact CG2-CB 4.4Å

Retrieved 169 of 169 residues in 116.8 ms (Link to these results)

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