A0A077Z7G8_TRITR Loading...

PRELI domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7G8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M91.7Very high97Very high149 Ų14980.6 Ų80.673%0.73440%0.401SS*.  01380174.9175.473.900107.8W127 F128 C129M1-W127 HydrophobicContact SD-CB 4.36Å; M1-W127 HydrophobicContact SD-CG 4.47Å; M1-F128 WeakPolarHBondContact CA-O 3.44Å; M1-C129 VanDerWaalsContact CG-SG 3.57Å
2K95.7Very high96.9Very high74 Ų7478.6 Ų78.632%0.32239%0.393SS..EExtended strand (participates in β ladder)trans-109.5135.3173.2-174.9172.5179.470.10109.4F128 Q140 C144K2-F128 HydrophobicContact CB-CB 4.28Å; K2-F128 HydrophobicContact CB-CD2 4.4Å; K2-F128 PolarHBondContact N-O 3.38Å; K2-F128 WeakPolarHBondContact O-CD2 3.46Å; K2-F128 PolarHBondContact O-N 3.39Å; K2-Q140 HydrophobicContact CB-CB 4.07Å; K2-Q140 HydrophobicContact CD-CB 4.47Å; K2-C144 HydrophobicContact CD-CB 3.68Å; K2-C144 VanDerWaalsContact CE-CB 3.5Å; K2-C144 WeakPolarHBondContact CE-SG 3.5Å; K2-C144 HydrophobicContact CG-CB 4.45Å
3Y97.5Very high96.9Very high111 Ų11174.3 Ų74.344%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-108.8146.1177.7173.3-112000110.4C5 E125 A126 W127Y3-C5 HydrophobicContact CE1-CB 3.77Å; Y3-C5 WeakPolarHBondContact OH-CB 3.38Å; Y3-E125 HydrophobicContact CE2-CB 4.15Å; Y3-E125 HydrophobicContact CE2-CG 4.33Å; Y3-E125 PolarHBondContact OH-OE1 2.93Å; Y3-A126 WeakPolarHBondContact CA-O 3.48Å; Y3-W127 AromaticContact CD2-CD1 3.9Å; Y3-W127 AromaticContact CD2-CE2 3.92Å; Y3-W127 HydrophobicContact CD2-CG 4.48Å; Y3-W127 HydrophobicContact CD2-CZ2 4.43Å; Y3-W127 AromaticContact CD2-NE1 3.5Å; Y3-W127 AromaticContact CE2-CE2 3.96Å; Y3-W127 AromaticContact CE2-CZ2 4Å; Y3-W127 HydrophobicContact CE2-CZ2 4Å; Y3-W127 AromaticContact CE2-NE1 3.9Å
4F97.8Very high97Very high32 Ų3269.7 Ų69.714%0.1435%0.351CS..EExtended strand (participates in β ladder)trans-136140171.9170.7-96.8000109.4S6 E125 A126 F128 F147 K148F4-S6 WeakPolarHBondContact CE1-OG 3.32Å; F4-E125 CarbonylContact O-C 3.52Å; F4-E125 WeakPolarHBondContact O-CA 3.28Å; F4-A126 HydrophobicContact CB-CB 4.48Å; F4-A126 HydrophobicContact CD1-CB 4.48Å; F4-A126 PolarHBondContact N-O 3.24Å; F4-A126 PolarHBondContact O-N 2.92Å; F4-F128 HydrophobicContact CB-CE2 4.01Å; F4-F147 AromaticContact CD1-CD1 3.83Å; F4-F147 HydrophobicContact CD1-CD1 3.83Å; F4-F147 AromaticContact CD1-CE1 3.46Å; F4-F147 HydrophobicContact CD1-CE1 3.46Å; F4-F147 VanDerWaalsContact CD1-CE1 3.46Å; F4-F147 HydrophobicContact CE1-CD1 4.08Å; F4-F147 AromaticContact CE1-CE1 3.65Å; F4-F147 HydrophobicContact CE1-CE1 3.65Å; F4-F147 HydrophobicContact CG-CD1 4.48Å; F4-F147 HydrophobicContact CG-CE1 4.46Å; F4-K148 HydrophobicContact CD2-CG 4.06Å; F4-K148 HydrophobicContact CE2-CD 4.12Å; F4-K148 HydrophobicContact CE2-CG 3.58Å; F4-K148 HydrophobicContact CZ-CG 3.94Å
5C98.1Very high96.9Very high54 Ų5470 Ų7037%0.36535%0.354SS..EExtended strand (participates in β ladder)trans-138.3140172.6-175.80000109.7Y3 R124 E125Y3-C5 HydrophobicContact CE1-CB 3.77Å; Y3-C5 WeakPolarHBondContact OH-CB 3.38Å; C5-R124 CarbonylContact C-O 3.53Å; C5-R124 VanDerWaalsContact CA-O 3.3Å; C5-R124 WeakPolarHBondContact CA-O 3.28Å; C5-E125 HydrophobicContact CB-CG 4.43Å
6S98Very high96.9Very high30 Ų3069.6 Ų69.621%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-144.6149.3172.256.50000110.6F4 R124F4-S6 WeakPolarHBondContact CE1-OG 3.32Å; S6-R124 PolarHBondContact N-O 2.89Å; S6-R124 PolarHBondContact O-N 3.3Å
7Q97.8Very high96.9Very high160 Ų16065.5 Ų65.575%0.74833%0.332SS*.EExtended strand (participates in β ladder)trans-111.4146.8169.1-70.4178.1-30.100109.5L122 K123Q7-L122 CarbonylContact C-O 3.4Å; Q7-L122 VanDerWaalsContact CA-O 3.31Å; Q7-L122 WeakPolarHBondContact CA-O 3.5Å; Q7-K123 HydrophobicContact CG-CG 4.46Å
8S97.7Very high97Very high37 Ų3762.2 Ų62.226%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-145.6158.3175-590000108.2L122 N155S8-L122 PolarHBondContact N-O 3.36Å; S8-L122 PolarHBondContact O-N 2.97Å; S8-N155 PolarHBondContact OG-ND2 2.86Å; S8-N155 VanDerWaalsContact OG-ND2 3.11Å
9S97.6Very high96.9Very high59 Ų5962.3 Ų62.341%0.41332%0.32SS..EExtended strand (participates in β ladder)trans-130152.3173580000111.2Q119 T120S9-Q119 VanDerWaalsContact CB-OE1 3.32Å; S9-Q119 PolarHBondContact OG-OE1 3.05Å; S9-T120 CarbonylContact C-O 3.48Å; S9-T120 VanDerWaalsContact CA-O 3.32Å; S9-T120 WeakPolarHBondContact CA-O 3.29Å
10F97.8Very high96.9Very high3 Ų359.2 Ų59.21%0.01330%0.304CS..EExtended strand (participates in β ladder)trans-120.5127175.2-59.6-86.4000107.5N12 V17 Y109 Q119 T120 L122 N155 L158 Q159 L162F10-N12 PolarHBondContact O-N 3.14Å; F10-V17 HydrophobicContact CB-CG2 3.88Å; F10-V17 HydrophobicContact CD2-CG1 4.41Å; F10-V17 HydrophobicContact CG-CG2 4.41Å; F10-Y109 HydrophobicContact CE2-CE1 4.28Å; F10-Q119 WeakPolarHBondContact O-CA 3.43Å; F10-Q119 WeakPolarHBondContact O-CG 3.45Å; F10-T120 PolarHBondContact N-O 2.88Å; F10-T120 PolarHBondContact O-N 2.99Å; F10-L122 HydrophobicContact CD2-CB 4.46Å; F10-L122 HydrophobicContact CE2-CB 3.82Å; F10-L122 HydrophobicContact CE2-CD2 3.8Å; F10-L122 HydrophobicContact CE2-CG 4.46Å; F10-L122 HydrophobicContact CZ-CD2 4.09Å; F10-N155 HydrophobicContact CE1-CB 4.34Å; F10-N155 HydrophobicContact CZ-CB 4.22Å; F10-L158 HydrophobicContact CE1-CB 4.3Å; F10-L158 HydrophobicContact CE1-CD2 3.98Å; F10-L158 HydrophobicContact CE1-CG 4.27Å; F10-L158 HydrophobicContact CE2-CD2 4.05Å; F10-L158 HydrophobicContact CZ-CD2 3.71Å; F10-L158 HydrophobicContact CZ-CG 4.47Å; F10-Q159 HydrophobicContact CD1-CG 4.06Å; F10-Q159 HydrophobicContact CE1-CG 4.1Å; F10-L162 HydrophobicContact CD1-CD1 4.36Å
11K96.9Very high96.9Very high178 Ų17856.6 Ų56.677%0.77429%0.29SS*.SBendtrans-78.453.9178.3-62.1-174.8178.6-174.60110.9E118K11-E118 CarbonylContact C-O 3.44Å
12N96.8Very high97.1Very high56 Ų5651.5 Ų51.530%0.29926%0.263SS..SBendtrans-144.1153.2-178.9-62.691.6000108.4F10 D16 V17 E118 Q119 T120 L162F10-N12 PolarHBondContact O-N 3.14Å; N12-D16 HydrophobicContact CB-CB 4.28Å; N12-V17 HydrophobicContact CB-CG2 3.8Å; N12-E118 CarbonylContact C-O 3.59Å; N12-E118 PolarHBondContact N-O 3.3Å; N12-Q119 CarbonylContact O-C 3.58Å; N12-T120 PolarHBondContact O-N 3.03Å; N12-T120 PolarHBondContact O-OG1 3.19Å; N12-L162 HydrophobicContact CB-CD1 4.41Å; N12-L162 HydrophobicContact CB-CD2 4.11Å
13S96.6Very high97.1Very high23 Ų2352.5 Ų52.516%0.16127%0.271CS..  trans-59.2154.1174.978.20000110.8D15 D16 V17 G117 T120S13-D15 PolarHBondContact O-N 3.23Å; S13-D16 PolarHBondContact O-N 3.29Å; S13-D16 PolarHBondContact OG-N 3.04Å; S13-D16 VanDerWaalsContact OG-N 3.11Å; S13-D16 PolarHBondContact OG-OD2 3.2Å; S13-V17 WeakPolarHBondContact O-CG2 3.42Å; S13-V17 PolarHBondContact O-N 2.99Å; S13-G117 WeakPolarHBondContact CA-O 3.48Å; S13-G117 WeakPolarHBondContact CB-O 3.49Å; S13-T120 VanDerWaalsContact C-OG1 3.31Å; S13-T120 PolarHBondContact O-OG1 3.42Å
14W97.8Very high97Very high10 Ų1048.2 Ų48.24%0.03825%0.254CS..Hα-helixtrans-59.7-37.8177.2178.990.8000111.8D16 V17 V18 L81 K86 M88 Y109 V111 T120W14-D16 PolarHBondContact O-N 3.08Å; W14-V17 PolarHBondContact O-N 2.88Å; W14-V18 HydrophobicContact CD2-CG2 3.81Å; W14-V18 VanDerWaalsContact CE2-CG2 3.45Å; W14-V18 HydrophobicContact CE3-CG2 4.28Å; W14-V18 HydrophobicContact CG-CG2 4.3Å; W14-V18 HydrophobicContact CH2-CG2 4.17Å; W14-V18 HydrophobicContact CZ2-CG2 3.67Å; W14-V18 HydrophobicContact CZ3-CG2 4.44Å; W14-V18 WeakPolarHBondContact O-CB 3.32Å; W14-V18 VanDerWaalsContact O-CG2 3.31Å; W14-V18 WeakPolarHBondContact O-CG2 3.46Å; W14-V18 PolarHBondContact O-N 3.19Å; W14-L81 HydrophobicContact CH2-CD2 3.8Å; W14-L81 HydrophobicContact CH2-CG 4.01Å; W14-L81 HydrophobicContact CZ2-CG 4.32Å; W14-K86 HydrophobicContact CD2-CB 3.83Å; W14-K86 HydrophobicContact CD2-CG 4.46Å; W14-K86 VanDerWaalsContact CE2-O 3.28Å; W14-K86 HydrophobicContact CE3-CB 3.89Å; W14-K86 HydrophobicContact CE3-CD 4.2Å; W14-K86 HydrophobicContact CE3-CG 4.03Å; W14-K86 HydrophobicContact CG-CB 4.26Å; W14-K86 HydrophobicContact CH2-CB 4.48Å; W14-K86 HydrophobicContact CZ2-CB 4.43Å; W14-K86 HydrophobicContact CZ3-CB 4.23Å; W14-K86 HydrophobicContact CZ3-CG 4.22Å; W14-K86 PolarHBondContact NE1-O 2.79Å; W14-M88 HydrophobicContact CZ2-CB 4.14Å; W14-Y109 PolarHBondContact NE1-O 3.49Å; W14-Y109 VanDerWaalsContact NE1-O 3.16Å; W14-V111 HydrophobicContact CB-CG2 3.64Å; W14-V111 HydrophobicContact CG-CG2 4.04Å; W14-T120 WeakPolarHBondContact CA-OG1 3.45Å; W14-T120 PolarHBondContact N-OG1 3.22Å; W14-T120 VanDerWaalsContact N-OG1 3.15Å
15D96.1Very high96.9Very high74 Ų7449 Ų4940%0.39626%0.257SS..Hα-helixtrans-63.4-40.8178.7-62.6-62.1000111.3S13 T19 K86S13-D15 PolarHBondContact O-N 3.23Å; D15-T19 VanDerWaalsContact O-CB 3.31Å; D15-T19 WeakPolarHBondContact O-CB 3.39Å; D15-T19 PolarHBondContact O-N 2.8Å; D15-T19 PolarHBondContact O-OG1 3.16Å; D15-K86 IonicContact OD2-NZ 2.8Å; D15-K86 PolarHBondContact OD2-NZ 3.11Å
16D96.3Very high96.8Very high63 Ų6351.9 Ų51.934%0.33728%0.275SS..Hα-helixtrans-66.3-45.8174.4-64.7-41.5000111.9N12 S13 W14 V18 T19 A20 L162N12-D16 HydrophobicContact CB-CB 4.28Å; S13-D16 PolarHBondContact O-N 3.29Å; S13-D16 PolarHBondContact OG-N 3.04Å; S13-D16 VanDerWaalsContact OG-N 3.11Å; S13-D16 PolarHBondContact OG-OD2 3.2Å; W14-D16 PolarHBondContact O-N 3.08Å; D16-V18 VanDerWaalsContact C-N 3.34Å; D16-V18 PolarHBondContact O-N 2.99Å; D16-T19 PolarHBondContact O-N 2.78Å; D16-A20 WeakPolarHBondContact O-CB 3.24Å; D16-A20 PolarHBondContact O-N 3.45Å; D16-L162 HydrophobicContact CB-CD2 3.86Å; D16-L162 WeakPolarHBondContact O-CD2 3.45Å
17V97.9Very high96.7Very high0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-63.1-42.8-178.2173.70000111.3F10 N12 S13 W14 F21 Y109 T120 L158 L162F10-V17 HydrophobicContact CB-CG2 3.88Å; F10-V17 HydrophobicContact CD2-CG1 4.41Å; F10-V17 HydrophobicContact CG-CG2 4.41Å; N12-V17 HydrophobicContact CB-CG2 3.8Å; S13-V17 WeakPolarHBondContact O-CG2 3.42Å; S13-V17 PolarHBondContact O-N 2.99Å; W14-V17 PolarHBondContact O-N 2.88Å; V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 PolarHBondContact O-N 2.94Å; V17-Y109 HydrophobicContact CG1-CD1 3.91Å; V17-Y109 HydrophobicContact CG1-CE1 4.29Å; V17-T120 HydrophobicContact CB-CG2 4.13Å; V17-T120 HydrophobicContact CG1-CG2 3.98Å; V17-T120 HydrophobicContact CG2-CG2 4.23Å; V17-L158 HydrophobicContact CG1-CD2 4.07Å; V17-L162 HydrophobicContact CG2-CD1 4.26Å; V17-L162 HydrophobicContact CG2-CD2 4.36Å
18V97.2Very high96.7Very high7 Ų746.6 Ų46.64%0.04225%0.253CS..Hα-helixtrans-70.7-35.5177.7170.10000111.5W14 D16 F21 W22 L81 M88W14-V18 HydrophobicContact CD2-CG2 3.81Å; W14-V18 VanDerWaalsContact CE2-CG2 3.45Å; W14-V18 HydrophobicContact CE3-CG2 4.28Å; W14-V18 HydrophobicContact CG-CG2 4.3Å; W14-V18 HydrophobicContact CH2-CG2 4.17Å; W14-V18 HydrophobicContact CZ2-CG2 3.67Å; W14-V18 HydrophobicContact CZ3-CG2 4.44Å; W14-V18 WeakPolarHBondContact O-CB 3.32Å; W14-V18 VanDerWaalsContact O-CG2 3.31Å; W14-V18 WeakPolarHBondContact O-CG2 3.46Å; W14-V18 PolarHBondContact O-N 3.19Å; D16-V18 VanDerWaalsContact C-N 3.34Å; D16-V18 PolarHBondContact O-N 2.99Å; V18-F21 WeakPolarHBondContact O-CB 3.17Å; V18-F21 PolarHBondContact O-N 2.95Å; V18-W22 PolarHBondContact O-NE1 2.99Å; V18-L81 HydrophobicContact CG1-CD1 3.25Å; V18-L81 HydrophobicContact CG1-CG 4.03Å; V18-M88 HydrophobicContact CG1-SD 4Å; V18-M88 HydrophobicContact CG2-CB 4.1Å; V18-M88 HydrophobicContact CG2-CE 4.03Å; V18-M88 HydrophobicContact CG2-SD 4.07Å
19T95.9Very high96.7Very high64 Ų6448.6 Ų48.639%0.39326%0.257SS..Hα-helixtrans-64.6-48.9173.6-58.60000111D15 D16 F21 W22D15-T19 VanDerWaalsContact O-CB 3.31Å; D15-T19 WeakPolarHBondContact O-CB 3.39Å; D15-T19 PolarHBondContact O-N 2.8Å; D15-T19 PolarHBondContact O-OG1 3.16Å; D16-T19 PolarHBondContact O-N 2.78Å; T19-F21 VanDerWaalsContact C-N 3.25Å; T19-F21 PolarHBondContact O-N 2.96Å; T19-W22 PolarHBondContact O-N 2.82Å
20A97.1Very high96.7Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-63.9-28.3177.500000113.1D16 W22 L23 R24 L158 A161 L162D16-A20 WeakPolarHBondContact O-CB 3.24Å; D16-A20 PolarHBondContact O-N 3.45Å; A20-W22 VanDerWaalsContact C-N 3.26Å; A20-W22 PolarHBondContact O-N 2.9Å; A20-L23 CarbonylContact O-C 3.52Å; A20-L23 PolarHBondContact O-N 3.27Å; A20-R24 PolarHBondContact O-N 2.96Å; A20-L158 HydrophobicContact CB-CD1 3.9Å; A20-A161 HydrophobicContact CB-CB 4.1Å; A20-L162 HydrophobicContact CB-CB 4.41Å; A20-L162 HydrophobicContact CB-CD2 3.67Å; A20-L162 HydrophobicContact CB-CG 3.62Å
21F97.6Very high96.5Very high4 Ų451.7 Ų51.72%0.01827%0.27CS..Hα-helixtrans-56.7-39.3177.4173.1-92.1000112.6V17 V18 T19 L23 R24 M88 T90 Y109 L158V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 PolarHBondContact O-N 2.94Å; V18-F21 WeakPolarHBondContact O-CB 3.17Å; V18-F21 PolarHBondContact O-N 2.95Å; T19-F21 VanDerWaalsContact C-N 3.25Å; T19-F21 PolarHBondContact O-N 2.96Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-R24 VanDerWaalsContact CE2-NH1 3.25Å; F21-R24 WeakPolarHBondContact O-CD 3.37Å; F21-R24 VanDerWaalsContact O-CG 3.3Å; F21-R24 WeakPolarHBondContact O-CG 3.42Å; F21-R24 PolarHBondContact O-NH1 3Å; F21-M88 HydrophobicContact CB-CE 3.93Å; F21-M88 HydrophobicContact CD1-CE 3.92Å; F21-M88 HydrophobicContact CD1-SD 3.99Å; F21-M88 HydrophobicContact CD2-CE 3.73Å; F21-M88 HydrophobicContact CE1-CE 4.38Å; F21-M88 HydrophobicContact CE1-SD 4.33Å; F21-M88 HydrophobicContact CE2-CE 4.21Å; F21-M88 HydrophobicContact CG-CE 3.57Å; F21-M88 HydrophobicContact CG-SD 4.25Å; F21-T90 HydrophobicContact CE1-CG2 4.25Å; F21-T90 HydrophobicContact CE2-CG2 3.96Å; F21-T90 HydrophobicContact CZ-CG2 3.57Å; F21-Y109 HydrophobicContact CD2-CE2 4.34Å; F21-Y109 HydrophobicContact CE2-CE2 4.33Å; F21-L158 HydrophobicContact CB-CD1 4.39Å
22W95.7Very high96.4Very high43 Ų4345.1 Ų45.116%0.16324%0.242CC..Hα-helixtrans-73.8-21.6178.3-56.8112.1000113V18 T19 A20 R41 L48 T50 S79 L81V18-W22 PolarHBondContact O-NE1 2.99Å; T19-W22 PolarHBondContact O-N 2.82Å; A20-W22 VanDerWaalsContact C-N 3.26Å; A20-W22 PolarHBondContact O-N 2.9Å; W22-R41 VanDerWaalsContact CE3-NH2 3.28Å; W22-L48 HydrophobicContact CZ2-CD2 4.15Å; W22-T50 HydrophobicContact CH2-CG2 4.01Å; W22-T50 HydrophobicContact CZ3-CG2 3.87Å; W22-S79 WeakPolarHBondContact CH2-OG 3.42Å; W22-L81 HydrophobicContact CZ2-CD1 4.13Å
23L94.1Very high96.4Very high95 Ų9543.7 Ų43.750%0.49724%0.235SC..THydrogen-bonded Turntrans-10612.7-178.3-56.7177.4000112.5A20 F21 Y25A20-L23 CarbonylContact O-C 3.52Å; A20-L23 PolarHBondContact O-N 3.27Å; F21-L23 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 2.92Å
24R95.7Very high96.3Very high20 Ų2047 Ų478%0.07525%0.251CS..  trans-66-19-172.474.8-177.1179.7-94.310.5113.6A20 F21 N27 E77A20-R24 PolarHBondContact O-N 2.96Å; F21-R24 VanDerWaalsContact CE2-NH1 3.25Å; F21-R24 WeakPolarHBondContact O-CD 3.37Å; F21-R24 VanDerWaalsContact O-CG 3.3Å; F21-R24 WeakPolarHBondContact O-CG 3.42Å; F21-R24 PolarHBondContact O-NH1 3Å; R24-N27 WeakPolarHBondContact O-CB 3.35Å; R24-N27 PolarHBondContact O-ND2 3.15Å; R24-E77 IonicContact CZ-OE2 3.9Å; R24-E77 IonicContact NH1-OE1 2.76Å; R24-E77 IonicContact NH2-OE1 2.68Å; R24-E77 PolarHBondContact NH2-OE1 3.47Å; R24-E77 IonicContact NH2-OE2 2.66Å; R24-E77 PolarHBondContact NH2-OE2 2.83Å
25Y96.3Very high96.2Very high48 Ų4849.3 Ų49.319%0.18827%0.268CS..  trans-120.2149.9177.1-59.1-55.8000111.1L23 N27 S30 V33 E36 F54L23-Y25 PolarHBondContact O-N 2.92Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.14Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.38Å; Y25-S30 VanDerWaalsContact CE1-CB 3.45Å; Y25-V33 HydrophobicContact CD1-CB 4.37Å; Y25-V33 HydrophobicContact CD1-CG1 4.41Å; Y25-V33 HydrophobicContact CD2-CG1 4.05Å; Y25-V33 HydrophobicContact CE1-CB 4.24Å; Y25-V33 HydrophobicContact CE1-CG1 4.46Å; Y25-V33 HydrophobicContact CE1-CG2 4.01Å; Y25-V33 HydrophobicContact CE2-CG1 4.06Å; Y25-V33 HydrophobicContact CE2-CG2 4.43Å; Y25-V33 HydrophobicContact CG-CG1 4.24Å; Y25-E36 VanDerWaalsContact CD2-OE2 3.31Å; Y25-E36 WeakPolarHBondContact CD2-OE2 3.34Å; Y25-F54 HydrophobicContact CD2-CD1 4.4Å; Y25-F54 HydrophobicContact CD2-CE1 4.02Å; Y25-F54 HydrophobicContact CE2-CD1 4.12Å; Y25-F54 AromaticContact CE2-CE1 3.78Å; Y25-F54 HydrophobicContact CE2-CE1 3.78Å
26P96.1Very high96.2Very high116 Ų11649 Ų4975%0.75327%0.265SS*.SBendcis-70.5151.9-9.431.2-35.2000112.1
27N96.8Very high96.2Very high9 Ų951.2 Ų51.25%0.04828%0.276CS..  trans-145.5152.6172.174.871.7000110.2R24 Y25 F29 S30 N31 G157 F160R24-N27 WeakPolarHBondContact O-CB 3.35Å; R24-N27 PolarHBondContact O-ND2 3.15Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.14Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.38Å; N27-F29 PolarHBondContact O-N 3.22Å; N27-F29 VanDerWaalsContact O-N 3.11Å; N27-F29 WeakPolarHBondContact OD1-CA 3.29Å; N27-F29 WeakPolarHBondContact OD1-CB 3.31Å; N27-F29 PolarHBondContact OD1-N 3.48Å; N27-S30 PolarHBondContact O-N 3.32Å; N27-S30 PolarHBondContact OD1-N 2.68Å; N27-S30 PolarHBondContact OD1-OG 3.48Å; N27-N31 PolarHBondContact O-OD1 2.82Å; N27-G157 VanDerWaalsContact CG-CA 3.43Å; N27-G157 WeakPolarHBondContact OD1-CA 3.33Å; N27-F160 HydrophobicContact CB-CD1 3.75Å; N27-F160 HydrophobicContact CB-CE1 4.25Å; N27-F160 HydrophobicContact CB-CG 4.45Å
28P97.2Very high96.2Very high69 Ų6954.1 Ų54.145%0.44829%0.294SS..THydrogen-bonded Turntrans-67.8-13.9-172.526-35.1000114.6N31 F160P28-N31 PolarHBondContact O-ND2 3.36Å; P28-N31 PolarHBondContact O-OD1 3.11Å; P28-F160 HydrophobicContact CG-CD2 4.29Å; P28-F160 HydrophobicContact CG-CE2 4.24Å
29F97.5Very high96.2Very high79 Ų7958.6 Ų58.635%0.34632%0.321SS..THydrogen-bonded Turntrans-91.3-14.8-177-53.1-76.4000112.9N27 N153 K156 F160N27-F29 PolarHBondContact O-N 3.22Å; N27-F29 VanDerWaalsContact O-N 3.11Å; N27-F29 WeakPolarHBondContact OD1-CA 3.29Å; N27-F29 WeakPolarHBondContact OD1-CB 3.31Å; N27-F29 PolarHBondContact OD1-N 3.48Å; F29-N153 HydrophobicContact CB-CB 4.06Å; F29-N153 WeakPolarHBondContact O-CB 3.45Å; F29-N153 PolarHBondContact O-ND2 3.02Å; F29-K156 HydrophobicContact CB-CB 4.21Å; F29-K156 HydrophobicContact CD1-CB 3.84Å; F29-K156 HydrophobicContact CD1-CD 3.72Å; F29-K156 HydrophobicContact CD1-CG 4.44Å; F29-K156 HydrophobicContact CD2-CB 3.62Å; F29-K156 HydrophobicContact CE1-CB 4.09Å; F29-K156 HydrophobicContact CE1-CD 3.86Å; F29-K156 HydrophobicContact CE2-CB 3.88Å; F29-K156 HydrophobicContact CG-CB 3.6Å; F29-K156 HydrophobicContact CG-CD 4.31Å; F29-K156 HydrophobicContact CZ-CB 4.1Å; F29-F160 HydrophobicContact CE2-CB 4.16Å
30S96.5Very high96.3Very high5 Ų558.4 Ų58.44%0.03532%0.318CS..  trans-126.938.7-172.8-57.90000113.2Y25 N27 H32 V33Y25-S30 VanDerWaalsContact CE1-CB 3.45Å; N27-S30 PolarHBondContact O-N 3.32Å; N27-S30 PolarHBondContact OD1-N 2.68Å; N27-S30 PolarHBondContact OD1-OG 3.48Å; S30-H32 PolarHBondContact O-N 3.03Å; S30-V33 WeakPolarHBondContact O-CB 3.31Å; S30-V33 PolarHBondContact O-N 2.83Å
31N95.3Very high96.4Very high122 Ų12263.6 Ų63.665%0.65234%0.337SS*.THydrogen-bonded Turntrans-58-12.3179.8-54.9-34.1000114.9N27 P28 V33N27-N31 PolarHBondContact O-OD1 2.82Å; P28-N31 PolarHBondContact O-ND2 3.36Å; P28-N31 PolarHBondContact O-OD1 3.11Å; N31-V33 VanDerWaalsContact C-N 3.31Å
32H93.9Very high96.4Very high40 Ų4069.3 Ų69.319%0.18536%0.359CS..THydrogen-bonded Turntrans-75.6-21.6173.963.6-76000112.2S30 K56 T57 H150S30-H32 PolarHBondContact O-N 3.03Å; H32-K56 CarbonylContact O-C 3.53Å; H32-K56 WeakPolarHBondContact O-CA 3.35Å; H32-K56 WeakPolarHBondContact O-CB 3.44Å; H32-T57 WeakPolarHBondContact CA-OG1 3.48Å; H32-T57 PolarHBondContact O-N 2.68Å; H32-T57 PolarHBondContact O-OG1 3.16Å; H32-H150 AromaticContact CE1-ND1 3.65Å; H32-H150 AromaticContact NE2-ND1 3.84Å
33V96.3Very high96.5Very high26 Ų2671.5 Ų71.516%0.15838%0.377CS..EExtended strand (participates in β ladder)trans-82.2116.7171.7-177.60000107.9Y25 S30 N31 F54Y25-V33 HydrophobicContact CD1-CB 4.37Å; Y25-V33 HydrophobicContact CD1-CG1 4.41Å; Y25-V33 HydrophobicContact CD2-CG1 4.05Å; Y25-V33 HydrophobicContact CE1-CB 4.24Å; Y25-V33 HydrophobicContact CE1-CG1 4.46Å; Y25-V33 HydrophobicContact CE1-CG2 4.01Å; Y25-V33 HydrophobicContact CE2-CG1 4.06Å; Y25-V33 HydrophobicContact CE2-CG2 4.43Å; Y25-V33 HydrophobicContact CG-CG1 4.24Å; S30-V33 WeakPolarHBondContact O-CB 3.31Å; S30-V33 PolarHBondContact O-N 2.83Å; N31-V33 VanDerWaalsContact C-N 3.31Å; V33-F54 HydrophobicContact CG1-CD1 4.16Å
34L95.3Very high96.7Very high94 Ų9470.5 Ų70.549%0.49238%0.378SS..EExtended strand (participates in β ladder)trans-95.8-42.4-173.3-59.3-177.9000112.4F55 T57 Y72L34-F55 PolarHBondContact N-O 2.86Å; L34-T57 HydrophobicContact CD1-CG2 3.65Å; L34-T57 HydrophobicContact CD2-CG2 4.05Å; L34-T57 HydrophobicContact CG-CG2 3.98Å; L34-Y72 HydrophobicContact CD1-CD1 3.62Å; L34-Y72 HydrophobicContact CD1-CE1 3.38Å
35S95.6Very high96.7Very high58 Ų5872.6 Ų72.641%0.40641%0.405SS..EExtended strand (participates in β ladder)trans-151.3157.3-179.560.20000110.5F54 F55S35-F54 WeakPolarHBondContact O-CA 3.34Å; S35-F55 PolarHBondContact O-N 2.86Å; S35-F55 WeakPolarHBondContact OG-CD2 3.32Å
36E95.7Very high96.8Very high68 Ų6874.3 Ų74.332%0.31842%0.418SS..EExtended strand (participates in β ladder)trans-136145.9173.254.9169.6-133.400108.6Y25 R52 I53 F54Y25-E36 VanDerWaalsContact CD2-OE2 3.31Å; Y25-E36 WeakPolarHBondContact CD2-OE2 3.34Å; E36-R52 IonicContact OE1-CZ 3.81Å; E36-R52 IonicContact OE1-NH2 2.62Å; E36-R52 PolarHBondContact OE1-NH2 2.98Å; E36-R52 IonicContact OE2-CZ 2.72Å; E36-R52 IonicContact OE2-NH2 3.57Å; E36-R52 PolarHBondContact OE2-NH2 2.88Å; E36-I53 CarbonylContact C-O 3.4Å; E36-I53 VanDerWaalsContact CA-O 3.31Å; E36-I53 WeakPolarHBondContact CA-O 3.21Å; E36-F54 HydrophobicContact CB-CD1 3.58Å; E36-F54 HydrophobicContact CB-CE1 3.58Å; E36-F54 HydrophobicContact CB-CG 4.42Å; E36-F54 HydrophobicContact CB-CZ 4.4Å; E36-F54 WeakPolarHBondContact OE2-CE1 3.47Å
37D96.6Very high96.9Very high109 Ų10970.2 Ų70.258%0.58339%0.391SS*.EExtended strand (participates in β ladder)trans-140.9147.8176.7-156-15.4000110R52 I53D37-R52 CarbonylContact O-C 3.51Å; D37-R52 WeakPolarHBondContact O-CA 3.31Å; D37-R52 WeakPolarHBondContact O-CB 3.4Å; D37-I53 HydrophobicContact CB-CG2 3.92Å; D37-I53 PolarHBondContact N-O 2.87Å; D37-I53 PolarHBondContact O-N 2.79Å
38T97.9Very high97Very high61 Ų6171.2 Ų71.237%0.37440%0.396SS..EExtended strand (participates in β ladder)trans-98.6109.9176.8-60.10000109.1R41 T50 R52T38-R41 HydrophobicContact CG2-CB 4Å; T38-T50 HydrophobicContact CG2-CG2 4.26Å; T38-R52 HydrophobicContact CG2-CG 4.41Å
39V97.4Very high97Very high101 Ų10169.3 Ų69.361%0.61238%0.382SS*.EExtended strand (participates in β ladder)trans-80.9-38.6-177.2-178.40000111.3K51 I53V39-K51 PolarHBondContact N-O 2.84Å; V39-I53 HydrophobicContact CG2-CB 4.2Å; V39-I53 HydrophobicContact CG2-CG2 3.92Å
40D98.4Very high97.1Very high59 Ų5965.8 Ų65.832%0.31637%0.367SS..EExtended strand (participates in β ladder)trans-150.8141.1-179.7176.254.4000109.7R42 T50 K51D40-R42 IonicContact OD2-CZ 3.48Å; D40-R42 IonicContact OD2-NH1 3.33Å; D40-R42 PolarHBondContact OD2-NH1 3.16Å; D40-T50 CarbonylContact O-C 3.49Å; D40-T50 WeakPolarHBondContact O-CA 3.37Å; D40-K51 HydrophobicContact CB-CB 4.19Å; D40-K51 HydrophobicContact CB-CG 4.27Å; D40-K51 PolarHBondContact N-O 2.7Å; D40-K51 PolarHBondContact O-N 3.06Å
41R98.2Very high97.2Very high110 Ų11069.1 Ų69.142%0.41538%0.38SS..EExtended strand (participates in β ladder)trans-150.8128.2174179.1172.4-69.3-143.30.4109.7W22 T38 L48 L49 T50W22-R41 VanDerWaalsContact CE3-NH2 3.28Å; T38-R41 HydrophobicContact CG2-CB 4Å; R41-L48 HydrophobicContact CG-CD1 3.76Å; R41-L49 WeakPolarHBondContact CA-O 3.48Å; R41-T50 PolarHBondContact NE-OG1 2.97Å; R41-T50 VanDerWaalsContact NE-OG1 3.14Å
42R98.2Very high97.3Very high124 Ų12463.5 Ų63.547%0.46835%0.35SS..EExtended strand (participates in β ladder)trans-150153.2178.165.2-174.7-171.8-83.50.8111.7D40 L49D40-R42 IonicContact OD2-CZ 3.48Å; D40-R42 IonicContact OD2-NH1 3.33Å; D40-R42 PolarHBondContact OD2-NH1 3.16Å; R42-L49 HydrophobicContact CG-CB 3.99Å; R42-L49 HydrophobicContact CG-CD1 4.11Å; R42-L49 HydrophobicContact CG-CG 4.49Å; R42-L49 PolarHBondContact N-O 2.82Å; R42-L49 PolarHBondContact O-N 2.83Å
43V98.3Very high97.5Very high89 Ų8963.2 Ų63.254%0.53935%0.35SS..EExtended strand (participates in β ladder)trans-98.2132.5172.1-1800000108.5G45 L48V43-G45 VanDerWaalsContact CG1-O 3.28Å; V43-G45 WeakPolarHBondContact CG1-O 3.3Å; V43-L48 HydrophobicContact CG2-CD1 3.89Å
44S96.9Very high97.5Very high74 Ų7462.6 Ų62.652%0.51735%0.345SS..EExtended strand (participates in β ladder)trans-130.1100.9174.5-173.80000108.2D46 T47S44-D46 PolarHBondContact O-N 2.71Å; S44-T47 PolarHBondContact N-O 2.97Å; S44-T47 PolarHBondContact O-N 2.8Å
45G96.9Very high97.5Very high64 Ų6461.8 Ų61.866%0.6634%0.338SS*.THydrogen-bonded Turntrans55.4-125.5-169.300000111.3V43 T47V43-G45 VanDerWaalsContact CG1-O 3.28Å; V43-G45 WeakPolarHBondContact CG1-O 3.3Å; G45-T47 PolarHBondContact O-N 2.9Å
46D97.1Very high97.5Very high83 Ų8362.2 Ų62.244%0.44433%0.332SS..THydrogen-bonded Turntrans-79.4-0.1177.5-73.1-46.7000114.8S44 R83 A84S44-D46 PolarHBondContact O-N 2.71Å; D46-R83 HydrophobicContact CB-CG 3.88Å; D46-R83 PolarHBondContact O-N 3.14Å; D46-R83 WeakPolarHBondContact OD1-CD 3.44Å; D46-A84 HydrophobicContact CB-CB 4.14Å
47T98.3Very high97.3Very high31 Ų3161.6 Ų61.619%0.1933%0.333CS..EExtended strand (participates in β ladder)trans-108.4124.4-173.4-53.10000112.2S44 G45 L49 L80 L81 N82S44-T47 PolarHBondContact N-O 2.97Å; S44-T47 PolarHBondContact O-N 2.8Å; G45-T47 PolarHBondContact O-N 2.9Å; T47-L49 HydrophobicContact CG2-CD2 3.72Å; T47-L49 HydrophobicContact CG2-CG 4.42Å; T47-L80 HydrophobicContact CG2-CB 4.34Å; T47-L81 CarbonylContact C-O 3.32Å; T47-L81 VanDerWaalsContact CA-O 3.24Å; T47-L81 WeakPolarHBondContact CA-O 3.34Å; T47-N82 PolarHBondContact OG1-ND2 2.81Å
48L98.5Very high96.9Very high30 Ų3058 Ų5816%0.15732%0.319CS..EExtended strand (participates in β ladder)trans-86118.5164.8179.270.1000109.2W22 R41 V43 L81W22-L48 HydrophobicContact CZ2-CD2 4.15Å; R41-L48 HydrophobicContact CG-CD1 3.76Å; V43-L48 HydrophobicContact CG2-CD1 3.89Å; L48-L81 HydrophobicContact CB-CB 4.23Å; L48-L81 HydrophobicContact CD2-CD1 4.31Å; L48-L81 PolarHBondContact N-O 2.84Å; L48-L81 PolarHBondContact O-N 2.8Å
49L98.6Very high96.3Very high29 Ų2965.9 Ų65.915%0.15234%0.342CS..EExtended strand (participates in β ladder)trans-98.8130.6174.3-53.7176000107.8R41 R42 T47 S79 L80R41-L49 WeakPolarHBondContact CA-O 3.48Å; R42-L49 HydrophobicContact CG-CB 3.99Å; R42-L49 HydrophobicContact CG-CD1 4.11Å; R42-L49 HydrophobicContact CG-CG 4.49Å; R42-L49 PolarHBondContact N-O 2.82Å; R42-L49 PolarHBondContact O-N 2.83Å; T47-L49 HydrophobicContact CG2-CD2 3.72Å; T47-L49 HydrophobicContact CG2-CG 4.42Å; L49-S79 WeakPolarHBondContact CA-O 3.35Å; L49-L80 HydrophobicContact CD2-CD2 3.09Å; L49-L80 HydrophobicContact CD2-CG 4.46Å
50T98.6Very high95.7Very high4 Ų462.9 Ų62.93%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-141.5137.8179.2-66.80000110.5W22 T38 D40 R41 R52 E78 S79W22-T50 HydrophobicContact CH2-CG2 4.01Å; W22-T50 HydrophobicContact CZ3-CG2 3.87Å; T38-T50 HydrophobicContact CG2-CG2 4.26Å; D40-T50 CarbonylContact O-C 3.49Å; D40-T50 WeakPolarHBondContact O-CA 3.37Å; R41-T50 PolarHBondContact NE-OG1 2.97Å; R41-T50 VanDerWaalsContact NE-OG1 3.14Å; T50-R52 HydrophobicContact CG2-CG 3.71Å; T50-E78 CarbonylContact O-C 3.52Å; T50-E78 WeakPolarHBondContact O-CA 3.24Å; T50-S79 WeakPolarHBondContact CB-OG 3.45Å; T50-S79 PolarHBondContact N-O 3.3Å; T50-S79 PolarHBondContact O-N 3.32Å
51K98.5Very high95Very high75 Ų7562.1 Ų62.133%0.32632%0.32SS..EExtended strand (participates in β ladder)trans-119.7128.5169.9-53.3-162.1-174.2-150.20109.6V39 D40 E77 E78V39-K51 PolarHBondContact N-O 2.84Å; D40-K51 HydrophobicContact CB-CB 4.19Å; D40-K51 HydrophobicContact CB-CG 4.27Å; D40-K51 PolarHBondContact N-O 2.7Å; D40-K51 PolarHBondContact O-N 3.06Å; K51-E77 CarbonylContact C-O 3.52Å; K51-E77 WeakPolarHBondContact CA-O 3.3Å; K51-E78 HydrophobicContact CD-CG 4.27Å; K51-E78 WeakPolarHBondContact CE-OE1 3.31Å; K51-E78 HydrophobicContact CG-CG 4.13Å; K51-E78 IonicContact NZ-OE1 3.57Å; K51-E78 PolarHBondContact NZ-OE1 2.76Å
52R98.2Very high94.4Very high5 Ų565.7 Ų65.72%0.01934%0.338CS..EExtended strand (participates in β ladder)trans-131.7148.2-178.3-69.216680.1-154.514.2110.6E36 D37 T38 T50 F54 L76 E77E36-R52 IonicContact OE1-CZ 3.81Å; E36-R52 IonicContact OE1-NH2 2.62Å; E36-R52 PolarHBondContact OE1-NH2 2.98Å; E36-R52 IonicContact OE2-CZ 2.72Å; E36-R52 IonicContact OE2-NH2 3.57Å; E36-R52 PolarHBondContact OE2-NH2 2.88Å; D37-R52 CarbonylContact O-C 3.51Å; D37-R52 WeakPolarHBondContact O-CA 3.31Å; D37-R52 WeakPolarHBondContact O-CB 3.4Å; T38-R52 HydrophobicContact CG2-CG 4.41Å; T50-R52 HydrophobicContact CG2-CG 3.71Å; R52-F54 HydrophobicContact CB-CE2 3.74Å; R52-F54 HydrophobicContact CB-CZ 4.12Å; R52-L76 WeakPolarHBondContact O-CA 3.27Å; R52-E77 HydrophobicContact CB-CB 4.45Å; R52-E77 PolarHBondContact N-O 3.27Å; R52-E77 IonicContact NH1-OE1 3.01Å; R52-E77 PolarHBondContact NH1-OE1 2.94Å; R52-E77 VanDerWaalsContact NH1-OE1 3.15Å; R52-E77 PolarHBondContact O-N 2.86Å
53I97.9Very high93.6Very high34 Ų3465.6 Ų65.617%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-114.2137.5171.2-168.6166.5000109.3E36 D37 V39 F55 P74 V75 I95E36-I53 CarbonylContact C-O 3.4Å; E36-I53 VanDerWaalsContact CA-O 3.31Å; E36-I53 WeakPolarHBondContact CA-O 3.21Å; D37-I53 HydrophobicContact CB-CG2 3.92Å; D37-I53 PolarHBondContact N-O 2.87Å; D37-I53 PolarHBondContact O-N 2.79Å; V39-I53 HydrophobicContact CG2-CB 4.2Å; V39-I53 HydrophobicContact CG2-CG2 3.92Å; I53-F55 HydrophobicContact CD1-CE2 4.38Å; I53-F55 HydrophobicContact CD1-CZ 4.13Å; I53-F55 HydrophobicContact CG1-CE2 4.36Å; I53-F55 HydrophobicContact CG2-CE2 4.37Å; I53-P74 HydrophobicContact CD1-CB 4.13Å; I53-P74 HydrophobicContact CG1-CB 4.38Å; I53-V75 CarbonylContact C-O 3.51Å; I53-V75 WeakPolarHBondContact CA-O 3.43Å; I53-I95 HydrophobicContact CD1-CD1 3.95Å
54F96.6Very high93Very high12 Ų1261.6 Ų61.65%0.05331%0.314CS..EExtended strand (participates in β ladder)trans-119.4138176.8-59.3-99.2000109Y25 V33 S35 E36 R52 P74 V75 E77Y25-F54 HydrophobicContact CD2-CD1 4.4Å; Y25-F54 HydrophobicContact CD2-CE1 4.02Å; Y25-F54 HydrophobicContact CE2-CD1 4.12Å; Y25-F54 AromaticContact CE2-CE1 3.78Å; Y25-F54 HydrophobicContact CE2-CE1 3.78Å; V33-F54 HydrophobicContact CG1-CD1 4.16Å; S35-F54 WeakPolarHBondContact O-CA 3.34Å; E36-F54 HydrophobicContact CB-CD1 3.58Å; E36-F54 HydrophobicContact CB-CE1 3.58Å; E36-F54 HydrophobicContact CB-CG 4.42Å; E36-F54 HydrophobicContact CB-CZ 4.4Å; E36-F54 WeakPolarHBondContact OE2-CE1 3.47Å; R52-F54 HydrophobicContact CB-CE2 3.74Å; R52-F54 HydrophobicContact CB-CZ 4.12Å; F54-P74 CarbonylContact O-C 3.53Å; F54-P74 VanDerWaalsContact O-CA 3.25Å; F54-P74 WeakPolarHBondContact O-CA 3.3Å; F54-V75 HydrophobicContact CB-CB 4.39Å; F54-V75 PolarHBondContact N-O 3.45Å; F54-V75 PolarHBondContact O-N 3.41Å; F54-E77 HydrophobicContact CD2-CB 4.17Å; F54-E77 HydrophobicContact CE2-CB 3.47Å; F54-E77 VanDerWaalsContact CE2-CB 3.47Å; F54-E77 HydrophobicContact CE2-CG 4.21Å; F54-E77 HydrophobicContact CZ-CB 4.4Å; F54-E77 WeakPolarHBondContact CZ-OE1 3.41Å
55F95.9Very high92.4Very high78 Ų7863.6 Ų63.634%0.34232%0.316SS..EExtended strand (participates in β ladder)trans-103.7120.2167.3-67.4-87.6000108.9L34 S35 I53 P74L34-F55 PolarHBondContact N-O 2.86Å; S35-F55 PolarHBondContact O-N 2.86Å; S35-F55 WeakPolarHBondContact OG-CD2 3.32Å; I53-F55 HydrophobicContact CD1-CE2 4.38Å; I53-F55 HydrophobicContact CD1-CZ 4.13Å; I53-F55 HydrophobicContact CG1-CE2 4.36Å; I53-F55 HydrophobicContact CG2-CE2 4.37Å; F55-P74 HydrophobicContact CD1-CB 4.18Å; F55-P74 HydrophobicContact CE1-CB 3.93Å
56K94.4Very high91.9Very high66 Ų6668.7 Ų68.729%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-121.3150.5175.571.1-176.5178.3-171.20112.5H32 Y72 I73 V75H32-K56 CarbonylContact O-C 3.53Å; H32-K56 WeakPolarHBondContact O-CA 3.35Å; H32-K56 WeakPolarHBondContact O-CB 3.44Å; K56-Y72 WeakPolarHBondContact O-CA 3.49Å; K56-I73 HydrophobicContact CG-CB 4.09Å; K56-I73 WeakPolarHBondContact CG-O 3.41Å; K56-I73 PolarHBondContact N-O 2.93Å; K56-I73 VanDerWaalsContact N-O 3.15Å; K56-I73 PolarHBondContact O-N 2.92Å; K56-V75 HydrophobicContact CD-CG2 3.99Å; K56-V75 HydrophobicContact CG-CG2 4.41Å
57T93Very high91.3Very high55 Ų5568.5 Ų68.534%0.33732%0.315SS..EExtended strand (participates in β ladder)trans-80.9139.2167.457.20000110.3H32 L34 K71 Y72H32-T57 WeakPolarHBondContact CA-OG1 3.48Å; H32-T57 PolarHBondContact O-N 2.68Å; H32-T57 PolarHBondContact O-OG1 3.16Å; L34-T57 HydrophobicContact CD1-CG2 3.65Å; L34-T57 HydrophobicContact CD2-CG2 4.05Å; L34-T57 HydrophobicContact CG-CG2 3.98Å; T57-K71 WeakPolarHBondContact CA-O 3.4Å; T57-Y72 HydrophobicContact CG2-CE1 4.47Å
58A86.6Confident90.7Very high35 Ų3568.3 Ų68.329%0.28931%0.314SS..  trans-122.1134.217300000110.9I60 K71 I73A58-I60 PolarHBondContact O-N 2.87Å; A58-K71 PolarHBondContact N-O 2.83Å; A58-K71 VanDerWaalsContact N-O 3.08Å; A58-I73 HydrophobicContact CB-CG1 3.61Å
59R85.9Confident90Very high226 Ų22672.6 Ų72.685%0.85335%0.346SS*.  trans-83.5104.7167.9-68.4-173.7-178.5176.70.6109R146R59-R146 PolarHBondContact O-NH1 2.94Å; R59-R146 PolarHBondContact O-NH2 3.26Å
60I84.9Confident89.3Confident38 Ų3873.5 Ų73.520%0.19535%0.353CS..  trans-86.2131-178.9-51.2167.3000107.3A58 E65 V68A58-I60 PolarHBondContact O-N 2.87Å; I60-E65 HydrophobicContact CB-CG 4.41Å; I60-E65 HydrophobicContact CG2-CG 4.29Å; I60-V68 HydrophobicContact CD1-CB 3.75Å; I60-V68 HydrophobicContact CD1-CG1 3.29Å; I60-V68 HydrophobicContact CG1-CG1 4.25Å; I60-V68 HydrophobicContact CG2-CB 4.33Å
61P83.1Confident88.6Confident42 Ų4280.6 Ų80.627%0.27338%0.384SS..  trans-58.3145.9171.2-22.433.7000110.7W63 G64 E65P61-W63 VanDerWaalsContact C-N 3.25Å; P61-W63 HydrophobicContact CB-CD2 4.39Å; P61-W63 HydrophobicContact CB-CG 4.3Å; P61-W63 HydrophobicContact CB-CZ2 4.28Å; P61-W63 VanDerWaalsContact CB-NE1 3.32Å; P61-W63 HydrophobicContact CG-CZ2 4.13Å; P61-W63 PolarHBondContact O-N 3.31Å; P61-W63 VanDerWaalsContact O-N 3.14Å; P61-G64 WeakPolarHBondContact O-CA 3.26Å; P61-G64 PolarHBondContact O-N 3.16Å; P61-E65 PolarHBondContact O-N 2.85Å
62K86Confident88.2Confident185 Ų18583.4 Ų83.480%0.80439%0.393SS*.G310 helixtrans-50.1-42.9-178.9-68-173.2176.4-175.50113.5G64 E65K62-G64 PolarHBondContact O-N 3.47Å; K62-E65 PolarHBondContact O-N 2.83Å
63W82.3Confident87.9Confident123 Ų12384 Ų8447%0.46640%0.397SS..G310 helixtrans-62.9-25177.665.6-103.7000113.2P61 I135 V139P61-W63 VanDerWaalsContact C-N 3.25Å; P61-W63 HydrophobicContact CB-CD2 4.39Å; P61-W63 HydrophobicContact CB-CG 4.3Å; P61-W63 HydrophobicContact CB-CZ2 4.28Å; P61-W63 VanDerWaalsContact CB-NE1 3.32Å; P61-W63 HydrophobicContact CG-CZ2 4.13Å; P61-W63 PolarHBondContact O-N 3.31Å; P61-W63 VanDerWaalsContact O-N 3.14Å; W63-I135 HydrophobicContact CE3-CD1 4.15Å; W63-I135 HydrophobicContact CH2-CD1 3.98Å; W63-I135 HydrophobicContact CZ3-CD1 3.5Å; W63-I135 VanDerWaalsContact CZ3-CD1 3.5Å; W63-V139 HydrophobicContact CH2-CG2 3.4Å; W63-V139 HydrophobicContact CZ2-CG2 3.85Å; W63-V139 HydrophobicContact CZ3-CG2 4.35Å
64G84Confident87.8Confident4 Ų483.3 Ų83.34%0.04139%0.394CS..G310 helixtrans-88-17-178.500000114.2P61 K62 K66 F67 V68P61-G64 WeakPolarHBondContact O-CA 3.26Å; P61-G64 PolarHBondContact O-N 3.16Å; K62-G64 PolarHBondContact O-N 3.47Å; G64-K66 PolarHBondContact O-N 3.37Å; G64-F67 PolarHBondContact O-N 3.34Å; G64-V68 PolarHBondContact O-N 3.18Å
65E86.2Confident87.8Confident116 Ų11683.4 Ų83.454%0.54240%0.396SS..THydrogen-bonded Turntrans-60.6-28179.9-67.1177.9-179.400112.1I60 P61 K62 F67 V68I60-E65 HydrophobicContact CB-CG 4.41Å; I60-E65 HydrophobicContact CG2-CG 4.29Å; P61-E65 PolarHBondContact O-N 2.85Å; K62-E65 PolarHBondContact O-N 2.83Å; E65-F67 PolarHBondContact O-N 3.39Å; E65-V68 PolarHBondContact O-N 3Å
66K86.3Confident87.9Confident172 Ų17281.3 Ų81.375%0.74839%0.388SS*.THydrogen-bonded Turntrans-54.1-33.4169.3160.6176.3173.4173.90113.6G64G64-K66 PolarHBondContact O-N 3.37Å
67F84.2Confident88.1Confident78 Ų7878.7 Ų78.734%0.34238%0.377SS..THydrogen-bonded Turntrans-103.2-15.4-172.3-58.4-77000113.1G64 E65 L100G64-F67 PolarHBondContact O-N 3.34Å; E65-F67 PolarHBondContact O-N 3.39Å; F67-L100 HydrophobicContact CB-CD1 3.78Å; F67-L100 WeakPolarHBondContact O-CD1 3.43Å
68V84.2Confident88.4Confident28 Ų2878.3 Ų78.317%0.1737%0.371CS..  trans-133.1104.8-169.8-175.20000109I60 G64 E65 Y97 L100I60-V68 HydrophobicContact CD1-CB 3.75Å; I60-V68 HydrophobicContact CD1-CG1 3.29Å; I60-V68 HydrophobicContact CG1-CG1 4.25Å; I60-V68 HydrophobicContact CG2-CB 4.33Å; G64-V68 PolarHBondContact O-N 3.18Å; E65-V68 PolarHBondContact O-N 3Å; V68-Y97 HydrophobicContact CB-CE1 4.28Å; V68-Y97 HydrophobicContact CG1-CD1 4.41Å; V68-Y97 HydrophobicContact CG1-CD2 4.04Å; V68-Y97 HydrophobicContact CG1-CE1 3.98Å; V68-Y97 HydrophobicContact CG1-CE2 3.56Å; V68-Y97 HydrophobicContact CG1-CG 4.44Å; V68-Y97 HydrophobicContact CG2-CD1 4.24Å; V68-Y97 HydrophobicContact CG2-CE1 4.35Å; V68-Y97 HydrophobicContact CG2-CG 4.46Å; V68-L100 HydrophobicContact CG2-CD1 4.03Å
69S83.7Confident89Confident119 Ų11976.9 Ų76.983%0.83236%0.359SS*.  trans-85.5-23.9-173.553.10000115.1Y97S69-Y97 PolarHBondContact N-OH 2.81Å; S69-Y97 PolarHBondContact OG-OH 2.82Å
70T84.9Confident89.6Confident49 Ų4970.6 Ų70.630%0.30134%0.342SS..  trans-110143.1179.1-175.90000112.2Y72 Y97T70-Y72 VanDerWaalsContact C-N 3.34Å; T70-Y72 WeakPolarHBondContact CG2-O 3.43Å; T70-Y72 PolarHBondContact OG1-N 3.43Å; T70-Y72 VanDerWaalsContact OG1-N 3.1Å; T70-Y97 HydrophobicContact CG2-CE2 3.85Å; T70-Y97 WeakPolarHBondContact CG2-OH 3.36Å; T70-Y97 PolarHBondContact N-OH 3.1Å; T70-Y97 VanDerWaalsContact N-OH 3.08Å
71K84.3Confident90.2Very high152 Ų15269.8 Ų69.866%0.66134%0.338SS*.SBendtrans-81.5-17.5171.7-64.7179.9-1791750112.2T57 A58T57-K71 WeakPolarHBondContact CA-O 3.4Å; A58-K71 PolarHBondContact N-O 2.83Å; A58-K71 VanDerWaalsContact N-O 3.08Å
72Y90.3Very high90.9Very high134 Ų13469.7 Ų69.753%0.52534%0.335SS..EExtended strand (participates in β ladder)trans-91.3113.6-179.3-56.1-74.3000110.3L34 K56 T57 T70 P74L34-Y72 HydrophobicContact CD1-CD1 3.62Å; L34-Y72 HydrophobicContact CD1-CE1 3.38Å; K56-Y72 WeakPolarHBondContact O-CA 3.49Å; T57-Y72 HydrophobicContact CG2-CE1 4.47Å; T70-Y72 VanDerWaalsContact C-N 3.34Å; T70-Y72 WeakPolarHBondContact CG2-O 3.43Å; T70-Y72 PolarHBondContact OG1-N 3.43Å; T70-Y72 VanDerWaalsContact OG1-N 3.1Å; Y72-P74 WeakPolarHBondContact O-CD 3.33Å
73I92Very high91.4Very high19 Ų1967.8 Ų67.810%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-106.8106.3-178.9-54.1-55.7000108.3K56 A58 N94 Y97K56-I73 HydrophobicContact CG-CB 4.09Å; K56-I73 WeakPolarHBondContact CG-O 3.41Å; K56-I73 PolarHBondContact N-O 2.93Å; K56-I73 VanDerWaalsContact N-O 3.15Å; K56-I73 PolarHBondContact O-N 2.92Å; A58-I73 HydrophobicContact CB-CG1 3.61Å; I73-N94 HydrophobicContact CG2-CB 4.41Å; I73-Y97 HydrophobicContact CD1-CD2 3.95Å; I73-Y97 HydrophobicContact CD1-CE2 3.79Å
74P95.3Very high92.1Very high19 Ų1965.1 Ų65.112%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-69.7137.1170.927.1-34.8000111.5I53 F54 F55 Y72 I95I53-P74 HydrophobicContact CD1-CB 4.13Å; I53-P74 HydrophobicContact CG1-CB 4.38Å; F54-P74 CarbonylContact O-C 3.53Å; F54-P74 VanDerWaalsContact O-CA 3.25Å; F54-P74 WeakPolarHBondContact O-CA 3.3Å; F55-P74 HydrophobicContact CD1-CB 4.18Å; F55-P74 HydrophobicContact CE1-CB 3.93Å; Y72-P74 WeakPolarHBondContact O-CD 3.33Å; P74-I95 HydrophobicContact CB-CD1 3.58Å; P74-I95 HydrophobicContact CB-CG1 3.63Å; P74-I95 HydrophobicContact CG-CD1 3.74Å; P74-I95 HydrophobicContact CG-CG1 3.45Å; P74-I95 VanDerWaalsContact CG-CG1 3.45Å; P74-I95 PolarHBondContact O-N 3.29Å
75V97.1Very high92.7Very high13 Ų1369.1 Ų69.18%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-125.5127.7176.1179.80000108.2I53 F54 K56 R93I53-V75 CarbonylContact C-O 3.51Å; I53-V75 WeakPolarHBondContact CA-O 3.43Å; F54-V75 HydrophobicContact CB-CB 4.39Å; F54-V75 PolarHBondContact N-O 3.45Å; F54-V75 PolarHBondContact O-N 3.41Å; K56-V75 HydrophobicContact CD-CG2 3.99Å; K56-V75 HydrophobicContact CG-CG2 4.41Å; V75-R93 CarbonylContact C-O 3.57Å; V75-R93 WeakPolarHBondContact CA-O 3.42Å; V75-R93 WeakPolarHBondContact CG1-O 3.06Å
76L98.2Very high93.2Very high34 Ų3467.5 Ų67.518%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-91.2131172.1178.469.2000108.6R52 E78 S92 R93 I95R52-L76 WeakPolarHBondContact O-CA 3.27Å; L76-E78 HydrophobicContact CD2-CG 4.48Å; L76-E78 HydrophobicContact CG-CG 4.36Å; L76-S92 CarbonylContact O-C 3.57Å; L76-S92 VanDerWaalsContact O-CA 3.23Å; L76-S92 WeakPolarHBondContact O-CA 3.41Å; L76-R93 HydrophobicContact CB-CG 4.43Å; L76-R93 VanDerWaalsContact CD2-NH2 3.32Å; L76-R93 PolarHBondContact N-O 3.3Å; L76-R93 PolarHBondContact O-N 2.92Å; L76-I95 HydrophobicContact CB-CG2 3.63Å
77E98.6Very high93.8Very high12 Ų1261.1 Ų61.16%0.05632%0.317CS..EExtended strand (participates in β ladder)trans-115.8130170.6-175.5175.885.100108.8R24 K51 R52 F54 Y91R24-E77 IonicContact CZ-OE2 3.9Å; R24-E77 IonicContact NH1-OE1 2.76Å; R24-E77 IonicContact NH2-OE1 2.68Å; R24-E77 PolarHBondContact NH2-OE1 3.47Å; R24-E77 IonicContact NH2-OE2 2.66Å; R24-E77 PolarHBondContact NH2-OE2 2.83Å; K51-E77 CarbonylContact C-O 3.52Å; K51-E77 WeakPolarHBondContact CA-O 3.3Å; R52-E77 HydrophobicContact CB-CB 4.45Å; R52-E77 PolarHBondContact N-O 3.27Å; R52-E77 IonicContact NH1-OE1 3.01Å; R52-E77 PolarHBondContact NH1-OE1 2.94Å; R52-E77 VanDerWaalsContact NH1-OE1 3.15Å; R52-E77 PolarHBondContact O-N 2.86Å; F54-E77 HydrophobicContact CD2-CB 4.17Å; F54-E77 HydrophobicContact CE2-CB 3.47Å; F54-E77 VanDerWaalsContact CE2-CB 3.47Å; F54-E77 HydrophobicContact CE2-CG 4.21Å; F54-E77 HydrophobicContact CZ-CB 4.4Å; F54-E77 WeakPolarHBondContact CZ-OE1 3.41Å; E77-Y91 CarbonylContact C-O 3.55Å; E77-Y91 VanDerWaalsContact CA-O 3.31Å; E77-Y91 WeakPolarHBondContact CA-O 3.38Å
78E98.5Very high94.5Very high47 Ų4757.4 Ų57.422%0.2230%0.301CS..EExtended strand (participates in β ladder)trans-116.7136.2169.9-59.6-178.6100.700107.7T50 K51 L76 T90 Y91 R93T50-E78 CarbonylContact O-C 3.52Å; T50-E78 WeakPolarHBondContact O-CA 3.24Å; K51-E78 HydrophobicContact CD-CG 4.27Å; K51-E78 WeakPolarHBondContact CE-OE1 3.31Å; K51-E78 HydrophobicContact CG-CG 4.13Å; K51-E78 IonicContact NZ-OE1 3.57Å; K51-E78 PolarHBondContact NZ-OE1 2.76Å; L76-E78 HydrophobicContact CD2-CG 4.48Å; L76-E78 HydrophobicContact CG-CG 4.36Å; E78-T90 CarbonylContact O-C 3.59Å; E78-T90 WeakPolarHBondContact O-CA 3.37Å; E78-Y91 PolarHBondContact N-O 3.4Å; E78-Y91 PolarHBondContact O-N 3.18Å; E78-R93 IonicContact OE2-CZ 2.68Å; E78-R93 IonicContact OE2-NH1 3.95Å; E78-R93 PolarHBondContact OE2-NH1 3.49Å; E78-R93 IonicContact OE2-NH2 3.16Å; E78-R93 PolarHBondContact OE2-NH2 2.99Å
79S98.5Very high95.2Very high4 Ų458 Ų583%0.02831%0.305CS..EExtended strand (participates in β ladder)trans-134145.3-18067.10000112.8W22 L49 T50 V89W22-S79 WeakPolarHBondContact CH2-OG 3.42Å; L49-S79 WeakPolarHBondContact CA-O 3.35Å; T50-S79 WeakPolarHBondContact CB-OG 3.45Å; T50-S79 PolarHBondContact N-O 3.3Å; T50-S79 PolarHBondContact O-N 3.32Å; S79-V89 CarbonylContact C-O 3.1Å; S79-V89 WeakPolarHBondContact CA-O 3.33Å
80L98.4Very high95.9Very high94 Ų9452.5 Ų52.549%0.49227%0.266SS..EExtended strand (participates in β ladder)trans-120.9110.9175-51.5174.8000107.3T47 L49 M88 V89T47-L80 HydrophobicContact CG2-CB 4.34Å; L49-L80 HydrophobicContact CD2-CD2 3.09Å; L49-L80 HydrophobicContact CD2-CG 4.46Å; L80-M88 CarbonylContact O-C 3.51Å; L80-M88 VanDerWaalsContact O-CA 3.3Å; L80-M88 WeakPolarHBondContact O-CA 3.34Å; L80-V89 PolarHBondContact N-O 3.36Å; L80-V89 PolarHBondContact O-N 2.97Å
81L98.5Very high96.5Very high22 Ų2253.1 Ų53.112%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-112.9111.1176.2176.8176.5000107.8W14 V18 W22 T47 L48 M88W14-L81 HydrophobicContact CH2-CD2 3.8Å; W14-L81 HydrophobicContact CH2-CG 4.01Å; W14-L81 HydrophobicContact CZ2-CG 4.32Å; V18-L81 HydrophobicContact CG1-CD1 3.25Å; V18-L81 HydrophobicContact CG1-CG 4.03Å; W22-L81 HydrophobicContact CZ2-CD1 4.13Å; T47-L81 CarbonylContact C-O 3.32Å; T47-L81 VanDerWaalsContact CA-O 3.24Å; T47-L81 WeakPolarHBondContact CA-O 3.34Å; L48-L81 HydrophobicContact CB-CB 4.23Å; L48-L81 HydrophobicContact CD2-CD1 4.31Å; L48-L81 PolarHBondContact N-O 2.84Å; L48-L81 PolarHBondContact O-N 2.8Å; L81-M88 HydrophobicContact CB-CB 4.35Å; L81-M88 HydrophobicContact CB-CG 4.13Å; L81-M88 HydrophobicContact CD1-SD 4.4Å; L81-M88 HydrophobicContact CG-CB 4.41Å
82N98.2Very high97.2Very high39 Ų3946.5 Ų46.521%0.20924%0.236CC..EExtended strand (participates in β ladder)trans-101.6118.3177.1-174.2-56.4000110.1T47 A84 T85 K86 V87T47-N82 PolarHBondContact OG1-ND2 2.81Å; N82-A84 WeakPolarHBondContact OD1-CA 3.17Å; N82-A84 WeakPolarHBondContact OD1-CB 3.42Å; N82-A84 PolarHBondContact OD1-N 2.72Å; N82-T85 WeakPolarHBondContact CB-OG1 3.37Å; N82-T85 PolarHBondContact OD1-N 3.46Å; N82-T85 PolarHBondContact OD1-OG1 3.29Å; N82-K86 WeakPolarHBondContact O-CA 3.3Å; N82-K86 PolarHBondContact O-N 2.87Å; N82-K86 VanDerWaalsContact O-N 3.08Å; N82-V87 PolarHBondContact N-O 3.49Å; N82-V87 PolarHBondContact O-N 2.92Å
83R95.8Very high97.5Very high145 Ų14543.5 Ų43.555%0.54722%0.224SC..THydrogen-bonded Turntrans-72.2-32.8-177.473.9-178.871.3-176.93.5113.2D46D46-R83 HydrophobicContact CB-CG 3.88Å; D46-R83 PolarHBondContact O-N 3.14Å; D46-R83 WeakPolarHBondContact OD1-CD 3.44Å
84A96.3Very high97.7Very high68 Ų6843.4 Ų43.456%0.56222%0.224SC*.THydrogen-bonded Turntrans-73.5-43.2-176.400000111D46 N82D46-A84 HydrophobicContact CB-CB 4.14Å; N82-A84 WeakPolarHBondContact OD1-CA 3.17Å; N82-A84 WeakPolarHBondContact OD1-CB 3.42Å; N82-A84 PolarHBondContact OD1-N 2.72Å
85T96.6Very high97.6Very high88 Ų8846 Ų4654%0.5424%0.236SC..THydrogen-bonded Turntrans-86.5-9.517867.90000113.3N82 V87N82-T85 WeakPolarHBondContact CB-OG1 3.37Å; N82-T85 PolarHBondContact OD1-N 3.46Å; N82-T85 PolarHBondContact OD1-OG1 3.29Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 PolarHBondContact O-N 2.72Å
86K97.5Very high97.3Very high82 Ų8246.6 Ų46.636%0.35724%0.24SC..THydrogen-bonded Turntrans48.252-171-62.2-164.1174.5-155.90112.4W14 D15 N82 V111W14-K86 HydrophobicContact CD2-CB 3.83Å; W14-K86 HydrophobicContact CD2-CG 4.46Å; W14-K86 VanDerWaalsContact CE2-O 3.28Å; W14-K86 HydrophobicContact CE3-CB 3.89Å; W14-K86 HydrophobicContact CE3-CD 4.2Å; W14-K86 HydrophobicContact CE3-CG 4.03Å; W14-K86 HydrophobicContact CG-CB 4.26Å; W14-K86 HydrophobicContact CH2-CB 4.48Å; W14-K86 HydrophobicContact CZ2-CB 4.43Å; W14-K86 HydrophobicContact CZ3-CB 4.23Å; W14-K86 HydrophobicContact CZ3-CG 4.22Å; W14-K86 PolarHBondContact NE1-O 2.79Å; D15-K86 IonicContact OD2-NZ 2.8Å; D15-K86 PolarHBondContact OD2-NZ 3.11Å; N82-K86 WeakPolarHBondContact O-CA 3.3Å; N82-K86 PolarHBondContact O-N 2.87Å; N82-K86 VanDerWaalsContact O-N 3.08Å; K86-V111 HydrophobicContact CB-CG2 3.65Å; K86-V111 HydrophobicContact CD-CG2 3.86Å; K86-V111 HydrophobicContact CG-CG2 4.4Å
87V98.4Very high96.9Very high37 Ų3747.8 Ų47.822%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-126.2129.9175.3178.60000109.1N82 T85 V89 T108 Y109 Q110N82-V87 PolarHBondContact N-O 3.49Å; N82-V87 PolarHBondContact O-N 2.92Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 PolarHBondContact O-N 2.72Å; V87-V89 HydrophobicContact CG1-CG2 3.98Å; V87-T108 HydrophobicContact CG1-CG2 4.06Å; V87-Y109 WeakPolarHBondContact CA-O 3.45Å; V87-Q110 HydrophobicContact CG2-CB 4.08Å
88M98.7Very high96.6Very high0 Ų051.1 Ų51.10%026%0.258CS..EExtended strand (participates in β ladder)trans-117.1121.4169.5179.4179.573.100109.2W14 V18 F21 L80 L81 T90 Y109W14-M88 HydrophobicContact CZ2-CB 4.14Å; V18-M88 HydrophobicContact CG1-SD 4Å; V18-M88 HydrophobicContact CG2-CB 4.1Å; V18-M88 HydrophobicContact CG2-CE 4.03Å; V18-M88 HydrophobicContact CG2-SD 4.07Å; F21-M88 HydrophobicContact CB-CE 3.93Å; F21-M88 HydrophobicContact CD1-CE 3.92Å; F21-M88 HydrophobicContact CD1-SD 3.99Å; F21-M88 HydrophobicContact CD2-CE 3.73Å; F21-M88 HydrophobicContact CE1-CE 4.38Å; F21-M88 HydrophobicContact CE1-SD 4.33Å; F21-M88 HydrophobicContact CE2-CE 4.21Å; F21-M88 HydrophobicContact CG-CE 3.57Å; F21-M88 HydrophobicContact CG-SD 4.25Å; L80-M88 CarbonylContact O-C 3.51Å; L80-M88 VanDerWaalsContact O-CA 3.3Å; L80-M88 WeakPolarHBondContact O-CA 3.34Å; L81-M88 HydrophobicContact CB-CB 4.35Å; L81-M88 HydrophobicContact CB-CG 4.13Å; L81-M88 HydrophobicContact CD1-SD 4.4Å; L81-M88 HydrophobicContact CG-CB 4.41Å; M88-T90 HydrophobicContact CE-CG2 4.4Å; M88-T90 HydrophobicContact CG-CG2 4.32Å; M88-Y109 HydrophobicContact CE-CD1 4.46Å; M88-Y109 HydrophobicContact CE-CD2 3.37Å; M88-Y109 HydrophobicContact CE-CE2 3.74Å; M88-Y109 HydrophobicContact CE-CG 3.79Å; M88-Y109 PolarHBondContact N-O 3.15Å; M88-Y109 PolarHBondContact O-N 3.29Å
89V98.8Very high96.2Very high41 Ų4160 Ų6025%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-109.4131.4173.1-174.80000108.6S79 L80 V87 R106 C107 T108S79-V89 CarbonylContact C-O 3.1Å; S79-V89 WeakPolarHBondContact CA-O 3.33Å; L80-V89 PolarHBondContact N-O 3.36Å; L80-V89 PolarHBondContact O-N 2.97Å; V87-V89 HydrophobicContact CG1-CG2 3.98Å; V89-R106 HydrophobicContact CG1-CG 4.02Å; V89-C107 CarbonylContact C-O 3.42Å; V89-C107 VanDerWaalsContact CA-O 3.29Å; V89-C107 WeakPolarHBondContact CA-O 3.37Å; V89-T108 HydrophobicContact CG2-CG2 4.24Å
90T98.6Very high95.9Very high4 Ų461.7 Ų61.73%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-118.4145.1171.274.80000109.4F21 E78 M88 R106 C107 Y109F21-T90 HydrophobicContact CE1-CG2 4.25Å; F21-T90 HydrophobicContact CE2-CG2 3.96Å; F21-T90 HydrophobicContact CZ-CG2 3.57Å; E78-T90 CarbonylContact O-C 3.59Å; E78-T90 WeakPolarHBondContact O-CA 3.37Å; M88-T90 HydrophobicContact CE-CG2 4.4Å; M88-T90 HydrophobicContact CG-CG2 4.32Å; T90-R106 CarbonylContact O-C 3.58Å; T90-R106 VanDerWaalsContact O-CA 3.27Å; T90-R106 WeakPolarHBondContact O-CA 3.3Å; T90-C107 PolarHBondContact N-O 3.24Å; T90-C107 PolarHBondContact O-N 3.03Å; T90-C107 WeakPolarHBondContact OG1-CB 3.44Å; T90-Y109 HydrophobicContact CG2-CE2 4.43Å
91Y98.6Very high95.6Very high61 Ų6158.4 Ų58.424%0.23928%0.281CS..EExtended strand (participates in β ladder)trans-131.4117.7177.1-177.2-97.2000108.7E77 E78 R93 E104 E105 R106E77-Y91 CarbonylContact C-O 3.55Å; E77-Y91 VanDerWaalsContact CA-O 3.31Å; E77-Y91 WeakPolarHBondContact CA-O 3.38Å; E78-Y91 PolarHBondContact N-O 3.4Å; E78-Y91 PolarHBondContact O-N 3.18Å; Y91-R93 HydrophobicContact CE1-CB 4.33Å; Y91-R93 HydrophobicContact CE1-CG 4.19Å; Y91-E104 HydrophobicContact CE2-CB 4.32Å; Y91-E104 VanDerWaalsContact OH-CG 3.24Å; Y91-E104 WeakPolarHBondContact OH-CG 3.44Å; Y91-E104 PolarHBondContact OH-OE2 3.44Å; Y91-E105 CarbonylContact C-O 3.54Å; Y91-E105 VanDerWaalsContact CA-O 3.3Å; Y91-E105 WeakPolarHBondContact CA-O 3.43Å; Y91-R106 HydrophobicContact CD2-CB 4.46Å
92S98.1Very high95.5Very high13 Ų1357.9 Ų57.99%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-120142.2-178.6820000111.5L76 E104 E105L76-S92 CarbonylContact O-C 3.57Å; L76-S92 VanDerWaalsContact O-CA 3.23Å; L76-S92 WeakPolarHBondContact O-CA 3.41Å; S92-E104 CarbonylContact O-C 3.48Å; S92-E104 WeakPolarHBondContact O-CA 3.39Å; S92-E105 PolarHBondContact N-O 3.38Å; S92-E105 PolarHBondContact O-N 3.05Å; S92-E105 WeakPolarHBondContact OG-CB 3.23Å; S92-E105 PolarHBondContact OG-OE2 3.01Å; S92-E105 VanDerWaalsContact OG-OE2 3.06Å
93R97.7Very high95.4Very high72 Ų7258.4 Ų58.427%0.27228%0.281SS..EExtended strand (participates in β ladder)trans-148143.7178.758.2177.7173.9-115.9-13.6112.4V75 L76 E78 Y91 I103 E104V75-R93 CarbonylContact C-O 3.57Å; V75-R93 WeakPolarHBondContact CA-O 3.42Å; V75-R93 WeakPolarHBondContact CG1-O 3.06Å; L76-R93 HydrophobicContact CB-CG 4.43Å; L76-R93 VanDerWaalsContact CD2-NH2 3.32Å; L76-R93 PolarHBondContact N-O 3.3Å; L76-R93 PolarHBondContact O-N 2.92Å; E78-R93 IonicContact OE2-CZ 2.68Å; E78-R93 IonicContact OE2-NH1 3.95Å; E78-R93 PolarHBondContact OE2-NH1 3.49Å; E78-R93 IonicContact OE2-NH2 3.16Å; E78-R93 PolarHBondContact OE2-NH2 2.99Å; Y91-R93 HydrophobicContact CE1-CB 4.33Å; Y91-R93 HydrophobicContact CE1-CG 4.19Å; R93-I103 WeakPolarHBondContact CA-O 3.38Å; R93-E104 HydrophobicContact CB-CG 4.16Å
94N95.3Very high95.5Very high17 Ų1754.4 Ų54.49%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-68.4135.9167.562.3-68.8000109.9I73 S96 Q98 M101 I103I73-N94 HydrophobicContact CG2-CB 4.41Å; N94-S96 PolarHBondContact ND2-O 3.4Å; N94-Q98 WeakPolarHBondContact O-CG 3.31Å; N94-Q98 PolarHBondContact O-NE2 3.45Å; N94-M101 PolarHBondContact ND2-O 3.1Å; N94-I103 PolarHBondContact N-O 3.37Å; N94-I103 PolarHBondContact OD1-N 3.42Å; N94-I103 PolarHBondContact OD1-O 3.08Å
95I93.7Very high95.6Very high73 Ų7352.5 Ų52.537%0.37425%0.248SC..  trans-95.9-29.7176.866.3176.7000111.9I53 P74 L76I53-I95 HydrophobicContact CD1-CD1 3.95Å; P74-I95 HydrophobicContact CB-CD1 3.58Å; P74-I95 HydrophobicContact CB-CG1 3.63Å; P74-I95 HydrophobicContact CG-CD1 3.74Å; P74-I95 HydrophobicContact CG-CG1 3.45Å; P74-I95 VanDerWaalsContact CG-CG1 3.45Å; P74-I95 PolarHBondContact O-N 3.29Å; L76-I95 HydrophobicContact CB-CG2 3.63Å
96S91Very high95.7Very high25 Ų2552.8 Ų52.818%0.17524%0.239CC..SBendtrans-84.9154.9174.462.40000111.1N94 Q98N94-S96 PolarHBondContact ND2-O 3.4Å; S96-Q98 PolarHBondContact O-N 3.3Å
97Y90Very high95.8Very high60 Ų6049 Ų4924%0.23522%0.223CC..SBendtrans58.218.2172.7-52.6-71.1000116.2V68 S69 T70 I73 R99 L100 M101V68-Y97 HydrophobicContact CB-CE1 4.28Å; V68-Y97 HydrophobicContact CG1-CD1 4.41Å; V68-Y97 HydrophobicContact CG1-CD2 4.04Å; V68-Y97 HydrophobicContact CG1-CE1 3.98Å; V68-Y97 HydrophobicContact CG1-CE2 3.56Å; V68-Y97 HydrophobicContact CG1-CG 4.44Å; V68-Y97 HydrophobicContact CG2-CD1 4.24Å; V68-Y97 HydrophobicContact CG2-CE1 4.35Å; V68-Y97 HydrophobicContact CG2-CG 4.46Å; S69-Y97 PolarHBondContact N-OH 2.81Å; S69-Y97 PolarHBondContact OG-OH 2.82Å; T70-Y97 HydrophobicContact CG2-CE2 3.85Å; T70-Y97 WeakPolarHBondContact CG2-OH 3.36Å; T70-Y97 PolarHBondContact N-OH 3.1Å; T70-Y97 VanDerWaalsContact N-OH 3.08Å; I73-Y97 HydrophobicContact CD1-CD2 3.95Å; I73-Y97 HydrophobicContact CD1-CE2 3.79Å; Y97-R99 PolarHBondContact O-N 3.46Å; Y97-R99 VanDerWaalsContact O-N 3.13Å; Y97-L100 HydrophobicContact CD1-CD1 3.9Å; Y97-L100 HydrophobicContact CG-CD1 4.45Å; Y97-L100 WeakPolarHBondContact O-CA 3.18Å; Y97-L100 WeakPolarHBondContact O-CB 3.44Å; Y97-L100 PolarHBondContact O-N 3.45Å; Y97-M101 PolarHBondContact O-N 3.02Å
98Q91.8Very high95.8Very high81 Ų8148.3 Ų48.338%0.37922%0.219SC..THydrogen-bonded Turntrans-55.3-32.9178.2-69.6-174.4-19.300113.1N94 S96 L100 M101 H131N94-Q98 WeakPolarHBondContact O-CG 3.31Å; N94-Q98 PolarHBondContact O-NE2 3.45Å; S96-Q98 PolarHBondContact O-N 3.3Å; Q98-L100 PolarHBondContact O-N 2.93Å; Q98-M101 WeakPolarHBondContact CA-O 3.49Å; Q98-M101 PolarHBondContact O-N 3.32Å; Q98-H131 PolarHBondContact O-CD2 3.49Å; Q98-H131 VanDerWaalsContact O-CD2 3.26Å
99R90.5Very high95.8Very high235 Ų23548.8 Ų48.889%0.88722%0.221SC*.THydrogen-bonded Turntrans-62.8-23.1174.5-65.1-175.8-178.9178.9-0.1113.7Y97 H131Y97-R99 PolarHBondContact O-N 3.46Å; Y97-R99 VanDerWaalsContact O-N 3.13Å; R99-H131 WeakPolarHBondContact O-CB 3.21Å
100L91.8Very high95.8Very high38 Ų3850.6 Ų50.620%0.19923%0.227CC..THydrogen-bonded Turntrans-95.3-48.8175.5-54177.6000110.2F67 V68 Y97 Q98 H131 L132F67-L100 HydrophobicContact CB-CD1 3.78Å; F67-L100 WeakPolarHBondContact O-CD1 3.43Å; V68-L100 HydrophobicContact CG2-CD1 4.03Å; Y97-L100 HydrophobicContact CD1-CD1 3.9Å; Y97-L100 HydrophobicContact CG-CD1 4.45Å; Y97-L100 WeakPolarHBondContact O-CA 3.18Å; Y97-L100 WeakPolarHBondContact O-CB 3.44Å; Y97-L100 PolarHBondContact O-N 3.45Å; Q98-L100 PolarHBondContact O-N 2.93Å; L100-H131 PolarHBondContact O-N 3.27Å; L100-L132 HydrophobicContact CD2-CD2 3.9Å; L100-L132 HydrophobicContact CD2-CG 4.47Å
101M92.8Very high95.7Very high25 Ų2552.2 Ų52.212%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-153.9129-176.9-172.5166.7-164.400111.9N94 Y97 Q98 I103 F128 C129 V139 S143N94-M101 PolarHBondContact ND2-O 3.1Å; Y97-M101 PolarHBondContact O-N 3.02Å; Q98-M101 WeakPolarHBondContact CA-O 3.49Å; Q98-M101 PolarHBondContact O-N 3.32Å; M101-I103 HydrophobicContact CE-CD1 4.08Å; M101-I103 HydrophobicContact CE-CG1 3.92Å; M101-I103 HydrophobicContact CG-CG1 4.11Å; M101-I103 HydrophobicContact SD-CD1 4.23Å; M101-I103 HydrophobicContact SD-CG1 4.29Å; M101-F128 HydrophobicContact CE-CB 4.02Å; M101-F128 HydrophobicContact CE-CD1 4.19Å; M101-C129 CarbonylContact C-O 3.53Å; M101-C129 WeakPolarHBondContact CA-O 3.41Å; M101-C129 WeakPolarHBondContact CG-O 3.41Å; M101-V139 HydrophobicContact CE-CG1 4.29Å; M101-V139 HydrophobicContact SD-CG1 3.68Å; M101-S143 WeakPolarHBondContact CE-OG 3.33Å; M101-S143 PolarHBondContact SD-OG 3.39Å; M101-S143 VanDerWaalsContact SD-OG 3.36Å
102S95.4Very high95.7Very high12 Ų1249.9 Ų49.98%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-102.7133.2164-177.60000109.9E104 C129S102-E104 PolarHBondContact OG-OE1 3.42Å; S102-C129 PolarHBondContact N-O 3.3Å; S102-C129 PolarHBondContact O-N 3.01Å
103I96.6Very high95.5Very high50 Ų5054.4 Ų54.426%0.25626%0.257SS..EExtended strand (participates in β ladder)trans-124.8117170.3-55.4-179.8000106.4R93 N94 M101 W127 F128R93-I103 WeakPolarHBondContact CA-O 3.38Å; N94-I103 PolarHBondContact N-O 3.37Å; N94-I103 PolarHBondContact OD1-N 3.42Å; N94-I103 PolarHBondContact OD1-O 3.08Å; M101-I103 HydrophobicContact CE-CD1 4.08Å; M101-I103 HydrophobicContact CE-CG1 3.92Å; M101-I103 HydrophobicContact CG-CG1 4.11Å; M101-I103 HydrophobicContact SD-CD1 4.23Å; M101-I103 HydrophobicContact SD-CG1 4.29Å; I103-W127 WeakPolarHBondContact CA-O 3.24Å; I103-F128 HydrophobicContact CD1-CD1 4.3Å; I103-F128 HydrophobicContact CG1-CD1 4.07Å; I103-F128 HydrophobicContact CG2-CD1 3.96Å; I103-F128 HydrophobicContact CG2-CE1 3.78Å
104E97.8Very high95.5Very high61 Ų6159.8 Ų59.829%0.28528%0.283SS..EExtended strand (participates in β ladder)trans-117.5141.4177.9-67.4165.7-159.700108.6Y91 S92 R93 S102 A126 W127Y91-E104 HydrophobicContact CE2-CB 4.32Å; Y91-E104 VanDerWaalsContact OH-CG 3.24Å; Y91-E104 WeakPolarHBondContact OH-CG 3.44Å; Y91-E104 PolarHBondContact OH-OE2 3.44Å; S92-E104 CarbonylContact O-C 3.48Å; S92-E104 WeakPolarHBondContact O-CA 3.39Å; R93-E104 HydrophobicContact CB-CG 4.16Å; S102-E104 PolarHBondContact OG-OE1 3.42Å; E104-A126 CarbonylContact O-C 3.56Å; E104-A126 WeakPolarHBondContact O-CA 3.38Å; E104-W127 HydrophobicContact CB-CB 4.49Å; E104-W127 HydrophobicContact CB-CE3 4.19Å; E104-W127 PolarHBondContact N-O 3.49Å; E104-W127 PolarHBondContact O-N 2.76Å
105E98.4Very high95.4Very high28 Ų2862.3 Ų62.313%0.13130%0.296CS..EExtended strand (participates in β ladder)trans-135.3138.3177.4164.7-177.2-120.200109.8Y91 S92 R124 E125 A126 F147Y91-E105 CarbonylContact C-O 3.54Å; Y91-E105 VanDerWaalsContact CA-O 3.3Å; Y91-E105 WeakPolarHBondContact CA-O 3.43Å; S92-E105 PolarHBondContact N-O 3.38Å; S92-E105 PolarHBondContact O-N 3.05Å; S92-E105 WeakPolarHBondContact OG-CB 3.23Å; S92-E105 PolarHBondContact OG-OE2 3.01Å; S92-E105 VanDerWaalsContact OG-OE2 3.06Å; E105-R124 HydrophobicContact CG-CG 4.43Å; E105-R124 VanDerWaalsContact OE1-CD 3.3Å; E105-R124 WeakPolarHBondContact OE1-CD 3.25Å; E105-R124 IonicContact OE1-CZ 3.39Å; E105-R124 IonicContact OE1-NE 2.7Å; E105-R124 IonicContact OE1-NH1 2.72Å; E105-R124 PolarHBondContact OE1-NH1 2.88Å; E105-R124 IonicContact OE2-NH1 3.46Å; E105-E125 CarbonylContact C-O 3.55Å; E105-E125 VanDerWaalsContact CA-O 3.26Å; E105-E125 WeakPolarHBondContact CA-O 3.38Å; E105-A126 HydrophobicContact CB-CB 4.5Å; E105-F147 HydrophobicContact CB-CE2 4.18Å; E105-F147 HydrophobicContact CB-CZ 4.37Å; E105-F147 HydrophobicContact CG-CE2 4.27Å; E105-F147 HydrophobicContact CG-CZ 4.12Å; E105-F147 VanDerWaalsContact OE1-CE2 3.31Å; E105-F147 WeakPolarHBondContact OE1-CE2 3.43Å; E105-F147 WeakPolarHBondContact OE1-CZ 3.34Å
106R98.7Very high95.2Very high93 Ų9363.4 Ų63.435%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-121.1127.4169.7-177.1174.570-175.90.1109.5V89 T90 Y91 R124 E125 W127V89-R106 HydrophobicContact CG1-CG 4.02Å; T90-R106 CarbonylContact O-C 3.58Å; T90-R106 VanDerWaalsContact O-CA 3.27Å; T90-R106 WeakPolarHBondContact O-CA 3.3Å; Y91-R106 HydrophobicContact CD2-CB 4.46Å; R106-R124 WeakPolarHBondContact O-CA 3.2Å; R106-E125 HydrophobicContact CB-CB 4.5Å; R106-E125 IonicContact CZ-OE2 3.19Å; R106-E125 PolarHBondContact N-O 2.66Å; R106-E125 IonicContact NE-OE2 3.86Å; R106-E125 PolarHBondContact NE-OE2 2.89Å; R106-E125 VanDerWaalsContact NE-OE2 3.16Å; R106-E125 IonicContact NH2-OE1 2.78Å; R106-E125 PolarHBondContact NH2-OE1 2.68Å; R106-E125 IonicContact NH2-OE2 3.15Å; R106-E125 PolarHBondContact NH2-OE2 3.01Å; R106-E125 PolarHBondContact O-N 2.82Å; R106-W127 HydrophobicContact CB-CH2 4.02Å; R106-W127 HydrophobicContact CB-CZ3 3.82Å
107C98.7Very high95.2Very high2 Ų264.6 Ų64.61%0.01432%0.324CS..EExtended strand (participates in β ladder)trans-114.9135.5169.2-63.40000110V89 T90 Y109 L122 K123 R124V89-C107 CarbonylContact C-O 3.42Å; V89-C107 VanDerWaalsContact CA-O 3.29Å; V89-C107 WeakPolarHBondContact CA-O 3.37Å; T90-C107 PolarHBondContact N-O 3.24Å; T90-C107 PolarHBondContact O-N 3.03Å; T90-C107 WeakPolarHBondContact OG1-CB 3.44Å; C107-Y109 HydrophobicContact CB-CD2 4.3Å; C107-Y109 HydrophobicContact CB-CE2 3.65Å; C107-L122 HydrophobicContact CB-CD1 3.73Å; C107-K123 CarbonylContact C-O 3.52Å; C107-K123 VanDerWaalsContact CA-O 3.32Å; C107-K123 WeakPolarHBondContact CA-O 3.42Å; C107-R124 VanDerWaalsContact SG-CZ 3.53Å; C107-R124 PolarHBondContact SG-NH1 3.36Å; C107-R124 VanDerWaalsContact SG-NH1 3.43Å
108T98.7Very high95.5Very high24 Ų2468.1 Ų68.115%0.14734%0.343CS..EExtended strand (participates in β ladder)trans-120.7115.3173.2-57.60000108.6V87 V89 L122 K123V87-T108 HydrophobicContact CG1-CG2 4.06Å; V89-T108 HydrophobicContact CG2-CG2 4.24Å; T108-L122 WeakPolarHBondContact O-CA 3.5Å; T108-K123 PolarHBondContact N-O 3.15Å; T108-K123 PolarHBondContact O-N 3.19Å
109Y98.6Very high95.7Very high9 Ų965.9 Ų65.94%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-103.1122174.8-60.4-98000108.9F10 W14 V17 F21 V87 M88 T90 C107 L121 L122 L158F10-Y109 HydrophobicContact CE2-CE1 4.28Å; W14-Y109 PolarHBondContact NE1-O 3.49Å; W14-Y109 VanDerWaalsContact NE1-O 3.16Å; V17-Y109 HydrophobicContact CG1-CD1 3.91Å; V17-Y109 HydrophobicContact CG1-CE1 4.29Å; F21-Y109 HydrophobicContact CD2-CE2 4.34Å; F21-Y109 HydrophobicContact CE2-CE2 4.33Å; V87-Y109 WeakPolarHBondContact CA-O 3.45Å; M88-Y109 HydrophobicContact CE-CD1 4.46Å; M88-Y109 HydrophobicContact CE-CD2 3.37Å; M88-Y109 HydrophobicContact CE-CE2 3.74Å; M88-Y109 HydrophobicContact CE-CG 3.79Å; M88-Y109 PolarHBondContact N-O 3.15Å; M88-Y109 PolarHBondContact O-N 3.29Å; T90-Y109 HydrophobicContact CG2-CE2 4.43Å; C107-Y109 HydrophobicContact CB-CD2 4.3Å; C107-Y109 HydrophobicContact CB-CE2 3.65Å; Y109-L121 WeakPolarHBondContact CA-O 3.48Å; Y109-L122 HydrophobicContact CD1-CB 4.24Å; Y109-L122 HydrophobicContact CD1-CD1 4.05Å; Y109-L122 HydrophobicContact CD2-CD1 4.22Å; Y109-L122 HydrophobicContact CE1-CB 4.25Å; Y109-L122 HydrophobicContact CE1-CD1 3.74Å; Y109-L122 HydrophobicContact CE1-CD2 4.01Å; Y109-L122 HydrophobicContact CE1-CG 4.21Å; Y109-L122 HydrophobicContact CE2-CD1 3.91Å; Y109-L122 HydrophobicContact CG-CD1 4.28Å; Y109-L158 HydrophobicContact CE1-CD2 3.88Å
110Q98.2Very high96.1Very high79 Ų7954.7 Ų54.737%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-145.1155.9-17865-17530.400110.6V87 L121V87-Q110 HydrophobicContact CG2-CB 4.08Å; Q110-L121 HydrophobicContact CG-CB 4.23Å; Q110-L121 PolarHBondContact N-O 2.78Å; Q110-L121 PolarHBondContact O-N 3.06Å
111V98.2Very high96.4Very high38 Ų3855.1 Ų55.123%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-57.6139.8172.7-179.60000109.9W14 K86 P113 P116W14-V111 HydrophobicContact CB-CG2 3.64Å; W14-V111 HydrophobicContact CG-CG2 4.04Å; K86-V111 HydrophobicContact CB-CG2 3.65Å; K86-V111 HydrophobicContact CD-CG2 3.86Å; K86-V111 HydrophobicContact CG-CG2 4.4Å; V111-P113 VanDerWaalsContact O-CD 3.32Å; V111-P113 WeakPolarHBondContact O-CD 3.11Å; V111-P116 HydrophobicContact CG1-CB 4.11Å
112D97.1Very high96.7Very high13 Ų1354 Ų547%0.0729%0.287CS..  trans-71.3118.5168-169.8-21.8000109.9K114 L115 Q119 L121D112-K114 PolarHBondContact O-N 2.85Å; D112-K114 VanDerWaalsContact O-N 3.14Å; D112-K114 WeakPolarHBondContact OD1-CB 3.48Å; D112-K114 PolarHBondContact OD1-N 2.94Å; D112-L115 HydrophobicContact CB-CB 4.47Å; D112-L115 CarbonylContact O-C 3.55Å; D112-L115 VanDerWaalsContact O-C 3.32Å; D112-L115 PolarHBondContact O-N 2.85Å; D112-Q119 HydrophobicContact CB-CB 3.85Å; D112-Q119 HydrophobicContact CB-CG 4.07Å; D112-Q119 WeakPolarHBondContact CB-O 3.34Å; D112-Q119 PolarHBondContact N-O 3.35Å; D112-Q119 PolarHBondContact OD2-OE1 2.87Å; D112-L121 HydrophobicContact CB-CD1 4.17Å; D112-L121 HydrophobicContact CB-CD2 4.19Å; D112-L121 HydrophobicContact CB-CG 3.86Å
113P95.3Very high96.9Very high107 Ų10757 Ų5770%0.69530%0.298SS*.THydrogen-bonded Turntrans-59.6-23.7177.2-22.634.2000113.9V111V111-P113 VanDerWaalsContact O-CD 3.32Å; V111-P113 WeakPolarHBondContact O-CD 3.11Å
114K95.9Very high97Very high185 Ų18555.2 Ų55.280%0.80429%0.288SS*.THydrogen-bonded Turntrans-83.7-28.4-179.8-61.6-179.1179.8-179.40113D112 P116D112-K114 PolarHBondContact O-N 2.85Å; D112-K114 VanDerWaalsContact O-N 3.14Å; D112-K114 WeakPolarHBondContact OD1-CB 3.48Å; D112-K114 PolarHBondContact OD1-N 2.94Å; K114-P116 VanDerWaalsContact C-CD 3.49Å
115L94.6Very high97Very high71 Ų7152.7 Ų52.737%0.37228%0.276SS..SBendtrans-135.362.6-175.6-66.2174.3000109.9D112 G117 E118 Q119D112-L115 HydrophobicContact CB-CB 4.47Å; D112-L115 CarbonylContact O-C 3.55Å; D112-L115 VanDerWaalsContact O-C 3.32Å; D112-L115 PolarHBondContact O-N 2.85Å; L115-G117 PolarHBondContact O-N 2.62Å; L115-E118 HydrophobicContact CB-CB 4.41Å; L115-E118 PolarHBondContact O-N 3.02Å; L115-Q119 HydrophobicContact CB-CB 4.01Å; L115-Q119 HydrophobicContact CD1-CB 4.4Å; L115-Q119 PolarHBondContact O-N 3.03Å
116P88.6Confident97Very high95 Ų9551.4 Ų51.462%0.61727%0.27SS*.THydrogen-bonded Turntrans-63.7123-177.627.1-33.9000110V111 K114V111-P116 HydrophobicContact CG1-CB 4.11Å; K114-P116 VanDerWaalsContact C-CD 3.49Å
117G91.5Very high97Very high50 Ų5049.5 Ų49.552%0.51526%0.263SS..THydrogen-bonded Turntrans97-20.6-179.500000114.8S13 L115S13-G117 WeakPolarHBondContact CA-O 3.48Å; S13-G117 WeakPolarHBondContact CB-O 3.49Å; L115-G117 PolarHBondContact O-N 2.62Å
118E95.2Very high96.9Very high135 Ų13549.4 Ų49.463%0.63126%0.263SS*.THydrogen-bonded Turntrans-107.6-24.8-178.4-66.9178.9-144.400113.4K11 N12 L115K11-E118 CarbonylContact C-O 3.44Å; N12-E118 CarbonylContact C-O 3.59Å; N12-E118 PolarHBondContact N-O 3.3Å; L115-E118 HydrophobicContact CB-CB 4.41Å; L115-E118 PolarHBondContact O-N 3.02Å
119Q97.6Very high96.8Very high33 Ų3349.8 Ų49.815%0.15427%0.266CS..  trans-136.2141-174.2-171.6160.4129.300113S9 F10 N12 D112 L115S9-Q119 VanDerWaalsContact CB-OE1 3.32Å; S9-Q119 PolarHBondContact OG-OE1 3.05Å; F10-Q119 WeakPolarHBondContact O-CA 3.43Å; F10-Q119 WeakPolarHBondContact O-CG 3.45Å; N12-Q119 CarbonylContact O-C 3.58Å; D112-Q119 HydrophobicContact CB-CB 3.85Å; D112-Q119 HydrophobicContact CB-CG 4.07Å; D112-Q119 WeakPolarHBondContact CB-O 3.34Å; D112-Q119 PolarHBondContact N-O 3.35Å; D112-Q119 PolarHBondContact OD2-OE1 2.87Å; L115-Q119 HydrophobicContact CB-CB 4.01Å; L115-Q119 HydrophobicContact CD1-CB 4.4Å; L115-Q119 PolarHBondContact O-N 3.03Å
120T98.4Very high96.6Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-117129.8172.9-56.60000109.8S9 F10 N12 S13 W14 V17S9-T120 CarbonylContact C-O 3.48Å; S9-T120 VanDerWaalsContact CA-O 3.32Å; S9-T120 WeakPolarHBondContact CA-O 3.29Å; F10-T120 PolarHBondContact N-O 2.88Å; F10-T120 PolarHBondContact O-N 2.99Å; N12-T120 PolarHBondContact O-N 3.03Å; N12-T120 PolarHBondContact O-OG1 3.19Å; S13-T120 VanDerWaalsContact C-OG1 3.31Å; S13-T120 PolarHBondContact O-OG1 3.42Å; W14-T120 WeakPolarHBondContact CA-OG1 3.45Å; W14-T120 PolarHBondContact N-OG1 3.22Å; W14-T120 VanDerWaalsContact N-OG1 3.15Å; V17-T120 HydrophobicContact CB-CG2 4.13Å; V17-T120 HydrophobicContact CG1-CG2 3.98Å; V17-T120 HydrophobicContact CG2-CG2 4.23Å
121L98.5Very high96.3Very high48 Ų4851.5 Ų51.525%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-93135.6175-58.2179.7000110Y109 Q110 D112Y109-L121 WeakPolarHBondContact CA-O 3.48Å; Q110-L121 HydrophobicContact CG-CB 4.23Å; Q110-L121 PolarHBondContact N-O 2.78Å; Q110-L121 PolarHBondContact O-N 3.06Å; D112-L121 HydrophobicContact CB-CD1 4.17Å; D112-L121 HydrophobicContact CB-CD2 4.19Å; D112-L121 HydrophobicContact CB-CG 3.86Å
122L98.7Very high95.9Very high2 Ų251.4 Ų51.41%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-114.9117.1171.9166.860.1000109.2Q7 S8 F10 C107 T108 Y109 N155Q7-L122 CarbonylContact C-O 3.4Å; Q7-L122 VanDerWaalsContact CA-O 3.31Å; Q7-L122 WeakPolarHBondContact CA-O 3.5Å; S8-L122 PolarHBondContact N-O 3.36Å; S8-L122 PolarHBondContact O-N 2.97Å; F10-L122 HydrophobicContact CD2-CB 4.46Å; F10-L122 HydrophobicContact CE2-CB 3.82Å; F10-L122 HydrophobicContact CE2-CD2 3.8Å; F10-L122 HydrophobicContact CE2-CG 4.46Å; F10-L122 HydrophobicContact CZ-CD2 4.09Å; C107-L122 HydrophobicContact CB-CD1 3.73Å; T108-L122 WeakPolarHBondContact O-CA 3.5Å; Y109-L122 HydrophobicContact CD1-CB 4.24Å; Y109-L122 HydrophobicContact CD1-CD1 4.05Å; Y109-L122 HydrophobicContact CD2-CD1 4.22Å; Y109-L122 HydrophobicContact CE1-CB 4.25Å; Y109-L122 HydrophobicContact CE1-CD1 3.74Å; Y109-L122 HydrophobicContact CE1-CD2 4.01Å; Y109-L122 HydrophobicContact CE1-CG 4.21Å; Y109-L122 HydrophobicContact CE2-CD1 3.91Å; Y109-L122 HydrophobicContact CG-CD1 4.28Å; L122-N155 WeakPolarHBondContact CD2-OD1 3.42Å
123K98.6Very high95.5Very high73 Ų7360.7 Ų60.732%0.31731%0.313SS..EExtended strand (participates in β ladder)trans-98.3122162.7-171-170.8-178.9-152.50108.8Q7 C107 T108 E125Q7-K123 HydrophobicContact CG-CG 4.46Å; C107-K123 CarbonylContact C-O 3.52Å; C107-K123 VanDerWaalsContact CA-O 3.32Å; C107-K123 WeakPolarHBondContact CA-O 3.42Å; T108-K123 PolarHBondContact N-O 3.15Å; T108-K123 PolarHBondContact O-N 3.19Å; K123-E125 HydrophobicContact CD-CG 4.49Å; K123-E125 VanDerWaalsContact CE-CD 3.44Å; K123-E125 WeakPolarHBondContact CE-OE2 3.43Å; K123-E125 HydrophobicContact CG-CG 4.41Å; K123-E125 IonicContact NZ-OE1 2.99Å; K123-E125 PolarHBondContact NZ-OE1 2.86Å; K123-E125 IonicContact NZ-OE2 2.96Å; K123-E125 PolarHBondContact NZ-OE2 3.17Å
124R98.7Very high95.2Very high13 Ų1359.6 Ų59.65%0.04932%0.321CS..EExtended strand (participates in β ladder)trans-115.9127.8177.2-176.6179.4-57.7-99.5-1.1109.7C5 S6 E105 R106 C107 F147 N155C5-R124 CarbonylContact C-O 3.53Å; C5-R124 VanDerWaalsContact CA-O 3.3Å; C5-R124 WeakPolarHBondContact CA-O 3.28Å; S6-R124 PolarHBondContact N-O 2.89Å; S6-R124 PolarHBondContact O-N 3.3Å; E105-R124 HydrophobicContact CG-CG 4.43Å; E105-R124 VanDerWaalsContact OE1-CD 3.3Å; E105-R124 WeakPolarHBondContact OE1-CD 3.25Å; E105-R124 IonicContact OE1-CZ 3.39Å; E105-R124 IonicContact OE1-NE 2.7Å; E105-R124 IonicContact OE1-NH1 2.72Å; E105-R124 PolarHBondContact OE1-NH1 2.88Å; E105-R124 IonicContact OE2-NH1 3.46Å; R106-R124 WeakPolarHBondContact O-CA 3.2Å; C107-R124 VanDerWaalsContact SG-CZ 3.53Å; C107-R124 PolarHBondContact SG-NH1 3.36Å; C107-R124 VanDerWaalsContact SG-NH1 3.43Å; R124-F147 HydrophobicContact CG-CZ 4.22Å; R124-N155 PolarHBondContact NH2-OD1 3.45Å
125E98.6Very high95Very high9 Ų953.6 Ų53.64%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-127.1142.2-179.8-65.4176.399.400109Y3 F4 C5 E105 R106 K123 W127Y3-E125 HydrophobicContact CE2-CB 4.15Å; Y3-E125 HydrophobicContact CE2-CG 4.33Å; Y3-E125 PolarHBondContact OH-OE1 2.93Å; F4-E125 CarbonylContact O-C 3.52Å; F4-E125 WeakPolarHBondContact O-CA 3.28Å; C5-E125 HydrophobicContact CB-CG 4.43Å; E105-E125 CarbonylContact C-O 3.55Å; E105-E125 VanDerWaalsContact CA-O 3.26Å; E105-E125 WeakPolarHBondContact CA-O 3.38Å; R106-E125 HydrophobicContact CB-CB 4.5Å; R106-E125 IonicContact CZ-OE2 3.19Å; R106-E125 PolarHBondContact N-O 2.66Å; R106-E125 IonicContact NE-OE2 3.86Å; R106-E125 PolarHBondContact NE-OE2 2.89Å; R106-E125 VanDerWaalsContact NE-OE2 3.16Å; R106-E125 IonicContact NH2-OE1 2.78Å; R106-E125 PolarHBondContact NH2-OE1 2.68Å; R106-E125 IonicContact NH2-OE2 3.15Å; R106-E125 PolarHBondContact NH2-OE2 3.01Å; R106-E125 PolarHBondContact O-N 2.82Å; K123-E125 HydrophobicContact CD-CG 4.49Å; K123-E125 VanDerWaalsContact CE-CD 3.44Å; K123-E125 WeakPolarHBondContact CE-OE2 3.43Å; K123-E125 HydrophobicContact CG-CG 4.41Å; K123-E125 IonicContact NZ-OE1 2.99Å; K123-E125 PolarHBondContact NZ-OE1 2.86Å; K123-E125 IonicContact NZ-OE2 2.96Å; K123-E125 PolarHBondContact NZ-OE2 3.17Å; E125-W127 HydrophobicContact CB-CH2 3.64Å; E125-W127 HydrophobicContact CB-CZ2 4.16Å; E125-W127 HydrophobicContact CB-CZ3 4.06Å
126A98.5Very high94.9Very high0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-144.8146.1177.600000112.7Y3 F4 E104 E105 F128 F147Y3-A126 WeakPolarHBondContact CA-O 3.48Å; F4-A126 HydrophobicContact CB-CB 4.48Å; F4-A126 HydrophobicContact CD1-CB 4.48Å; F4-A126 PolarHBondContact N-O 3.24Å; F4-A126 PolarHBondContact O-N 2.92Å; E104-A126 CarbonylContact O-C 3.56Å; E104-A126 WeakPolarHBondContact O-CA 3.38Å; E105-A126 HydrophobicContact CB-CB 4.5Å; A126-F128 HydrophobicContact CB-CE2 3.83Å; A126-F128 HydrophobicContact CB-CZ 3.81Å; A126-F147 HydrophobicContact CB-CD1 4.22Å; A126-F147 HydrophobicContact CB-CD2 4.45Å; A126-F147 HydrophobicContact CB-CE1 3.64Å; A126-F147 HydrophobicContact CB-CE2 3.9Å; A126-F147 HydrophobicContact CB-CZ 3.44Å; A126-F147 VanDerWaalsContact CB-CZ 3.44Å
127W98.3Very high95.2Very high54 Ų5452.1 Ų52.121%0.20529%0.292CS..EExtended strand (participates in β ladder)trans-124.3128-179.9-59.4-95.5000110M1 Y3 I103 E104 R106 E125M1-W127 HydrophobicContact SD-CB 4.36Å; M1-W127 HydrophobicContact SD-CG 4.47Å; Y3-W127 AromaticContact CD2-CD1 3.9Å; Y3-W127 AromaticContact CD2-CE2 3.92Å; Y3-W127 HydrophobicContact CD2-CG 4.48Å; Y3-W127 HydrophobicContact CD2-CZ2 4.43Å; Y3-W127 AromaticContact CD2-NE1 3.5Å; Y3-W127 AromaticContact CE2-CE2 3.96Å; Y3-W127 AromaticContact CE2-CZ2 4Å; Y3-W127 HydrophobicContact CE2-CZ2 4Å; Y3-W127 AromaticContact CE2-NE1 3.9Å; I103-W127 WeakPolarHBondContact CA-O 3.24Å; E104-W127 HydrophobicContact CB-CB 4.49Å; E104-W127 HydrophobicContact CB-CE3 4.19Å; E104-W127 PolarHBondContact N-O 3.49Å; E104-W127 PolarHBondContact O-N 2.76Å; R106-W127 HydrophobicContact CB-CH2 4.02Å; R106-W127 HydrophobicContact CB-CZ3 3.82Å; E125-W127 HydrophobicContact CB-CH2 3.64Å; E125-W127 HydrophobicContact CB-CZ2 4.16Å; E125-W127 HydrophobicContact CB-CZ3 4.06Å
128F97.4Very high95.2Very high0 Ų054.8 Ų54.80%029%0.293CS..EExtended strand (participates in β ladder)trans-116.2111.1-179.3-51.3-91.6000109.6M1 K2 F4 M101 I103 A126 Q140 C144 F147M1-F128 WeakPolarHBondContact CA-O 3.44Å; K2-F128 HydrophobicContact CB-CB 4.28Å; K2-F128 HydrophobicContact CB-CD2 4.4Å; K2-F128 PolarHBondContact N-O 3.38Å; K2-F128 WeakPolarHBondContact O-CD2 3.46Å; K2-F128 PolarHBondContact O-N 3.39Å; F4-F128 HydrophobicContact CB-CE2 4.01Å; M101-F128 HydrophobicContact CE-CB 4.02Å; M101-F128 HydrophobicContact CE-CD1 4.19Å; I103-F128 HydrophobicContact CD1-CD1 4.3Å; I103-F128 HydrophobicContact CG1-CD1 4.07Å; I103-F128 HydrophobicContact CG2-CD1 3.96Å; I103-F128 HydrophobicContact CG2-CE1 3.78Å; A126-F128 HydrophobicContact CB-CE2 3.83Å; A126-F128 HydrophobicContact CB-CZ 3.81Å; F128-Q140 HydrophobicContact CB-CG 4.36Å; F128-Q140 PolarHBondContact O-NE2 3.22Å; F128-C144 HydrophobicContact CD2-CB 4.03Å; F128-C144 HydrophobicContact CE2-CB 3.9Å; F128-C144 HydrophobicContact CG-CB 4.48Å; F128-C144 HydrophobicContact CZ-CB 4.21Å; F128-F147 HydrophobicContact CE1-CB 3.68Å; F128-F147 HydrophobicContact CE1-CD2 4.2Å; F128-F147 AromaticContact CE1-CG 3.98Å; F128-F147 HydrophobicContact CE1-CG 3.98Å; F128-F147 HydrophobicContact CZ-CB 3.49Å; F128-F147 VanDerWaalsContact CZ-CB 3.49Å; F128-F147 AromaticContact CZ-CD1 3.84Å; F128-F147 HydrophobicContact CZ-CD1 3.84Å; F128-F147 AromaticContact CZ-CD2 3.97Å; F128-F147 HydrophobicContact CZ-CD2 3.97Å; F128-F147 AromaticContact CZ-CG 3.49Å; F128-F147 HydrophobicContact CZ-CG 3.49Å; F128-F147 VanDerWaalsContact CZ-CG 3.49Å
129C96Very high95.1Very high31 Ų3149 Ų4921%0.20927%0.267CS..EExtended strand (participates in β ladder)trans-115115.2179.5-71.80000108.8M1 M101 S102M1-C129 VanDerWaalsContact CG-SG 3.57Å; M101-C129 CarbonylContact C-O 3.53Å; M101-C129 WeakPolarHBondContact CA-O 3.41Å; M101-C129 WeakPolarHBondContact CG-O 3.41Å; S102-C129 PolarHBondContact N-O 3.3Å; S102-C129 PolarHBondContact O-N 3.01Å
130C94.3Very high95Very high13 Ų1348.4 Ų48.49%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-113.7133174.1-177.60000108.6A136 V139 Q140C130-A136 HydrophobicContact CB-CB 4.13Å; C130-V139 HydrophobicContact CB-CB 4.39Å; C130-V139 HydrophobicContact CB-CG1 4.27Å; C130-Q140 HydrophobicContact CB-CG 3.86Å
131H92.9Very high94.8Very high111 Ų11154.9 Ų54.951%0.51429%0.292SS..  trans-103.1-2.2-174.9-55.9-75.6000112.7Q98 R99 L100 K133Q98-H131 PolarHBondContact O-CD2 3.49Å; Q98-H131 VanDerWaalsContact O-CD2 3.26Å; R99-H131 WeakPolarHBondContact O-CB 3.21Å; L100-H131 PolarHBondContact O-N 3.27Å; H131-K133 PolarHBondContact O-N 3.4Å
132L88.7Confident94.6Very high37 Ų3756.7 Ų56.719%0.19430%0.302CS..  trans-77.9107.7177.1-64.3177000110.7L100 I135 A136L100-L132 HydrophobicContact CD2-CD2 3.9Å; L100-L132 HydrophobicContact CD2-CG 4.47Å; L132-I135 HydrophobicContact CB-CD1 4.05Å; L132-I135 HydrophobicContact CB-CG1 3.74Å; L132-I135 HydrophobicContact CD1-CD1 3.91Å; L132-I135 HydrophobicContact CD1-CG1 4.5Å; L132-I135 PolarHBondContact O-N 3.07Å; L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 2.78Å
133K88.6Confident94.3Very high208 Ų20857.5 Ų57.590%0.90431%0.308SS*.THydrogen-bonded Turntrans-57.6144.3177.2-63.5-176.6-179.9-179.40111H131 I135H131-K133 PolarHBondContact O-N 3.4Å; K133-I135 PolarHBondContact O-N 3.31Å; K133-I135 VanDerWaalsContact O-N 3.16Å
134G90.2Very high94.2Very high84 Ų8454.1 Ų54.187%0.86629%0.293SS*.THydrogen-bonded Turntrans82.8-34.5179.900000115.3
135I90.4Very high94.1Very high58 Ų5857.7 Ų57.730%0.29731%0.31SS..THydrogen-bonded Turntrans-113.8-4.1-178.163.9172000114.4W63 L132 K133 T137 I138 V139W63-I135 HydrophobicContact CE3-CD1 4.15Å; W63-I135 HydrophobicContact CH2-CD1 3.98Å; W63-I135 HydrophobicContact CZ3-CD1 3.5Å; W63-I135 VanDerWaalsContact CZ3-CD1 3.5Å; L132-I135 HydrophobicContact CB-CD1 4.05Å; L132-I135 HydrophobicContact CB-CG1 3.74Å; L132-I135 HydrophobicContact CD1-CD1 3.91Å; L132-I135 HydrophobicContact CD1-CG1 4.5Å; L132-I135 PolarHBondContact O-N 3.07Å; K133-I135 PolarHBondContact O-N 3.31Å; K133-I135 VanDerWaalsContact O-N 3.16Å; I135-T137 VanDerWaalsContact C-N 3.34Å; I135-T137 PolarHBondContact O-N 3.09Å; I135-I138 PolarHBondContact O-N 3.49Å; I135-I138 VanDerWaalsContact O-N 3.08Å; I135-V139 HydrophobicContact CB-CG2 4.27Å; I135-V139 HydrophobicContact CD1-CG2 4.02Å; I135-V139 HydrophobicContact CG1-CG2 4.07Å; I135-V139 WeakPolarHBondContact O-CG2 3.41Å; I135-V139 PolarHBondContact O-N 3.3Å
136A93.4Very high93.9Very high23 Ų2362.4 Ų62.419%0.1933%0.328CS..Hα-helixtrans-49.8-48.2-174.200000113.9C130 L132 I138 V139 Q140C130-A136 HydrophobicContact CB-CB 4.13Å; L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 2.78Å; A136-I138 PolarHBondContact O-N 3.4Å; A136-V139 PolarHBondContact O-N 3.06Å; A136-Q140 VanDerWaalsContact O-CB 3.28Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 WeakPolarHBondContact O-CG 3.46Å; A136-Q140 PolarHBondContact O-N 3.39Å; A136-Q140 PolarHBondContact O-OE1 2.8Å
137T94.6Very high93.7Very high113 Ų11363.4 Ų63.469%0.69333%0.332SS*.Hα-helixtrans-62.1-42.6-179.2-52.60000112.3I135 K141I135-T137 VanDerWaalsContact C-N 3.34Å; I135-T137 PolarHBondContact O-N 3.09Å; T137-K141 WeakPolarHBondContact O-CB 3.33Å; T137-K141 PolarHBondContact O-N 3.3Å
138I92.5Very high93.7Very high105 Ų10564.7 Ų64.754%0.53834%0.339SS..Hα-helixtrans-66.5-48.3179.3-62.6173.5000109.5I135 A136 Q140 K141 L142I135-I138 PolarHBondContact O-N 3.49Å; I135-I138 VanDerWaalsContact O-N 3.08Å; A136-I138 PolarHBondContact O-N 3.4Å; I138-Q140 PolarHBondContact O-N 2.94Å; I138-K141 PolarHBondContact O-N 2.84Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.39Å; I138-L142 WeakPolarHBondContact O-CG 3.38Å; I138-L142 PolarHBondContact O-N 2.9Å
139V92.5Very high93.6Very high14 Ų1470.2 Ų70.29%0.08537%0.365CS..Hα-helixtrans-61.5-44.9179.3176.90000111.1W63 M101 C130 I135 A136 K141 L142 S143W63-V139 HydrophobicContact CH2-CG2 3.4Å; W63-V139 HydrophobicContact CZ2-CG2 3.85Å; W63-V139 HydrophobicContact CZ3-CG2 4.35Å; M101-V139 HydrophobicContact CE-CG1 4.29Å; M101-V139 HydrophobicContact SD-CG1 3.68Å; C130-V139 HydrophobicContact CB-CB 4.39Å; C130-V139 HydrophobicContact CB-CG1 4.27Å; I135-V139 HydrophobicContact CB-CG2 4.27Å; I135-V139 HydrophobicContact CD1-CG2 4.02Å; I135-V139 HydrophobicContact CG1-CG2 4.07Å; I135-V139 WeakPolarHBondContact O-CG2 3.41Å; I135-V139 PolarHBondContact O-N 3.3Å; A136-V139 PolarHBondContact O-N 3.06Å; V139-K141 PolarHBondContact O-N 3.04Å; V139-L142 PolarHBondContact O-N 3.06Å; V139-S143 WeakPolarHBondContact O-CB 3.43Å; V139-S143 PolarHBondContact O-N 3.14Å; V139-S143 PolarHBondContact O-OG 3.34Å; V139-S143 VanDerWaalsContact O-OG 3.1Å
140Q95.5Very high93.6Very high21 Ų2171.8 Ų71.810%0.09837%0.369CS..Hα-helixtrans-60.4-43.6176.1-77.1168.5-28.100112.1K2 F128 C130 A136 I138 C144K2-Q140 HydrophobicContact CB-CB 4.07Å; K2-Q140 HydrophobicContact CD-CB 4.47Å; F128-Q140 HydrophobicContact CB-CG 4.36Å; F128-Q140 PolarHBondContact O-NE2 3.22Å; C130-Q140 HydrophobicContact CB-CG 3.86Å; A136-Q140 VanDerWaalsContact O-CB 3.28Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 WeakPolarHBondContact O-CG 3.46Å; A136-Q140 PolarHBondContact O-N 3.39Å; A136-Q140 PolarHBondContact O-OE1 2.8Å; I138-Q140 PolarHBondContact O-N 2.94Å; Q140-C144 VanDerWaalsContact O-CB 3.29Å; Q140-C144 WeakPolarHBondContact O-CB 3.37Å; Q140-C144 PolarHBondContact O-N 3.31Å
141K94.6Very high93.7Very high135 Ų13571.5 Ų71.559%0.58737%0.368SS*.Hα-helixtrans-62.8-50.5177.4-173.9178178.9-179.50111.1T137 I138 V139 S143 C144 E145T137-K141 WeakPolarHBondContact O-CB 3.33Å; T137-K141 PolarHBondContact O-N 3.3Å; I138-K141 PolarHBondContact O-N 2.84Å; V139-K141 PolarHBondContact O-N 3.04Å; K141-S143 PolarHBondContact O-N 3.28Å; K141-C144 PolarHBondContact O-N 3.5Å; K141-E145 PolarHBondContact O-N 2.87Å
142L92.7Very high94Very high87 Ų8768.4 Ų68.446%0.45536%0.361SS..Hα-helixtrans-60.3-43.8179.4-71.3177.1000112.6I138 V139 C144 E145 R146I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.39Å; I138-L142 WeakPolarHBondContact O-CG 3.38Å; I138-L142 PolarHBondContact O-N 2.9Å; V139-L142 PolarHBondContact O-N 3.06Å; L142-C144 VanDerWaalsContact C-N 3.34Å; L142-E145 PolarHBondContact O-N 2.71Å; L142-R146 WeakPolarHBondContact O-CB 3.38Å; L142-R146 PolarHBondContact O-N 2.81Å
143S94Very high94.4Very high18 Ų1867.6 Ų67.613%0.12636%0.357CS..Hα-helixtrans-65.2-38.3177.2-67.70000112.2M101 V139 K141 F147M101-S143 WeakPolarHBondContact CE-OG 3.33Å; M101-S143 PolarHBondContact SD-OG 3.39Å; M101-S143 VanDerWaalsContact SD-OG 3.36Å; V139-S143 WeakPolarHBondContact O-CB 3.43Å; V139-S143 PolarHBondContact O-N 3.14Å; V139-S143 PolarHBondContact O-OG 3.34Å; V139-S143 VanDerWaalsContact O-OG 3.1Å; K141-S143 PolarHBondContact O-N 3.28Å; S143-F147 VanDerWaalsContact O-CB 3.25Å; S143-F147 WeakPolarHBondContact O-CB 3.25Å; S143-F147 PolarHBondContact O-N 3.08Å
144C96.3Very high94.8Very high2 Ų258.7 Ų58.71%0.01432%0.322CS..Hα-helixtrans-65.2-44.2175.4-178.80000112.2K2 F128 Q140 K141 L142 R146 F147 K148K2-C144 HydrophobicContact CD-CB 3.68Å; K2-C144 VanDerWaalsContact CE-CB 3.5Å; K2-C144 WeakPolarHBondContact CE-SG 3.5Å; K2-C144 HydrophobicContact CG-CB 4.45Å; F128-C144 HydrophobicContact CD2-CB 4.03Å; F128-C144 HydrophobicContact CE2-CB 3.9Å; F128-C144 HydrophobicContact CG-CB 4.48Å; F128-C144 HydrophobicContact CZ-CB 4.21Å; Q140-C144 VanDerWaalsContact O-CB 3.29Å; Q140-C144 WeakPolarHBondContact O-CB 3.37Å; Q140-C144 PolarHBondContact O-N 3.31Å; K141-C144 PolarHBondContact O-N 3.5Å; L142-C144 VanDerWaalsContact C-N 3.34Å; C144-R146 PolarHBondContact O-N 3.27Å; C144-F147 WeakPolarHBondContact O-CB 3.31Å; C144-F147 PolarHBondContact O-N 3.41Å; C144-K148 WeakPolarHBondContact O-CG 3.39Å; C144-K148 PolarHBondContact O-N 2.99Å
145E95.5Very high95.2Very high88 Ų8856 Ų5641%0.41129%0.288SS..Hα-helixtrans-63.9-42.2176.9-65.3-47.7134.300112.1K141 L142 F147 K148 H149K141-E145 PolarHBondContact O-N 2.87Å; L142-E145 PolarHBondContact O-N 2.71Å; E145-F147 VanDerWaalsContact C-N 3.3Å; E145-F147 PolarHBondContact O-N 3.17Å; E145-K148 VanDerWaalsContact CD-NZ 3.27Å; E145-K148 PolarHBondContact O-N 3.24Å; E145-K148 IonicContact OE1-NZ 3.85Å; E145-K148 PolarHBondContact OE1-NZ 2.85Å; E145-K148 WeakPolarHBondContact OE2-CD 3.35Å; E145-K148 IonicContact OE2-NZ 3.77Å; E145-K148 PolarHBondContact OE2-NZ 3.13Å; E145-H149 PolarHBondContact O-N 2.81Å
146R94.2Very high95.6Very high108 Ų10857.9 Ų57.941%0.40829%0.294SS..Hα-helixtrans-61.8-41173.9-175.5-179.8-64.1154.6-4111.7R59 L142 C144 K148 H149 H150R59-R146 PolarHBondContact O-NH1 2.94Å; R59-R146 PolarHBondContact O-NH2 3.26Å; L142-R146 WeakPolarHBondContact O-CB 3.38Å; L142-R146 PolarHBondContact O-N 2.81Å; C144-R146 PolarHBondContact O-N 3.27Å; R146-K148 PolarHBondContact O-N 2.88Å; R146-H149 WeakPolarHBondContact O-CB 3.49Å; R146-H149 PolarHBondContact O-N 2.79Å; R146-H150 WeakPolarHBondContact CG-NE2 3.44Å; R146-H150 PolarHBondContact O-CD2 3.3Å; R146-H150 VanDerWaalsContact O-CD2 3.24Å; R146-H150 PolarHBondContact O-N 2.75Å; R146-H150 VanDerWaalsContact O-N 3.07Å
147F95.9Very high95.8Very high22 Ų2256.8 Ų56.810%0.09629%0.285CS..Hα-helixtrans-61.3-42.3177.5176.1-88000112.1F4 E105 R124 A126 F128 S143 C144 E145 H149 H150 A151F4-F147 AromaticContact CD1-CD1 3.83Å; F4-F147 HydrophobicContact CD1-CD1 3.83Å; F4-F147 AromaticContact CD1-CE1 3.46Å; F4-F147 HydrophobicContact CD1-CE1 3.46Å; F4-F147 VanDerWaalsContact CD1-CE1 3.46Å; F4-F147 HydrophobicContact CE1-CD1 4.08Å; F4-F147 AromaticContact CE1-CE1 3.65Å; F4-F147 HydrophobicContact CE1-CE1 3.65Å; F4-F147 HydrophobicContact CG-CD1 4.48Å; F4-F147 HydrophobicContact CG-CE1 4.46Å; E105-F147 HydrophobicContact CB-CE2 4.18Å; E105-F147 HydrophobicContact CB-CZ 4.37Å; E105-F147 HydrophobicContact CG-CE2 4.27Å; E105-F147 HydrophobicContact CG-CZ 4.12Å; E105-F147 VanDerWaalsContact OE1-CE2 3.31Å; E105-F147 WeakPolarHBondContact OE1-CE2 3.43Å; E105-F147 WeakPolarHBondContact OE1-CZ 3.34Å; R124-F147 HydrophobicContact CG-CZ 4.22Å; A126-F147 HydrophobicContact CB-CD1 4.22Å; A126-F147 HydrophobicContact CB-CD2 4.45Å; A126-F147 HydrophobicContact CB-CE1 3.64Å; A126-F147 HydrophobicContact CB-CE2 3.9Å; A126-F147 HydrophobicContact CB-CZ 3.44Å; A126-F147 VanDerWaalsContact CB-CZ 3.44Å; F128-F147 HydrophobicContact CE1-CB 3.68Å; F128-F147 HydrophobicContact CE1-CD2 4.2Å; F128-F147 AromaticContact CE1-CG 3.98Å; F128-F147 HydrophobicContact CE1-CG 3.98Å; F128-F147 HydrophobicContact CZ-CB 3.49Å; F128-F147 VanDerWaalsContact CZ-CB 3.49Å; F128-F147 AromaticContact CZ-CD1 3.84Å; F128-F147 HydrophobicContact CZ-CD1 3.84Å; F128-F147 AromaticContact CZ-CD2 3.97Å; F128-F147 HydrophobicContact CZ-CD2 3.97Å; F128-F147 AromaticContact CZ-CG 3.49Å; F128-F147 HydrophobicContact CZ-CG 3.49Å; F128-F147 VanDerWaalsContact CZ-CG 3.49Å; S143-F147 VanDerWaalsContact O-CB 3.25Å; S143-F147 WeakPolarHBondContact O-CB 3.25Å; S143-F147 PolarHBondContact O-N 3.08Å; C144-F147 WeakPolarHBondContact O-CB 3.31Å; C144-F147 PolarHBondContact O-N 3.41Å; E145-F147 VanDerWaalsContact C-N 3.3Å; E145-F147 PolarHBondContact O-N 3.17Å; F147-H149 VanDerWaalsContact C-N 3.26Å; F147-H149 PolarHBondContact O-N 2.84Å; F147-H150 CarbonylContact O-C 3.52Å; F147-H150 PolarHBondContact O-N 3.45Å; F147-A151 HydrophobicContact CE1-CB 4.2Å; F147-A151 WeakPolarHBondContact O-CB 3.4Å; F147-A151 PolarHBondContact O-N 2.92Å
148K97.1Very high95.9Very high80 Ų8051.5 Ų51.535%0.34825%0.252SS..Hα-helixtrans-55.9-42.8176.1-69.4173.1-172.6168.90111.9F4 C144 E145 R146 A151 A152F4-K148 HydrophobicContact CD2-CG 4.06Å; F4-K148 HydrophobicContact CE2-CD 4.12Å; F4-K148 HydrophobicContact CE2-CG 3.58Å; F4-K148 HydrophobicContact CZ-CG 3.94Å; C144-K148 WeakPolarHBondContact O-CG 3.39Å; C144-K148 PolarHBondContact O-N 2.99Å; E145-K148 VanDerWaalsContact CD-NZ 3.27Å; E145-K148 PolarHBondContact O-N 3.24Å; E145-K148 IonicContact OE1-NZ 3.85Å; E145-K148 PolarHBondContact OE1-NZ 2.85Å; E145-K148 WeakPolarHBondContact OE2-CD 3.35Å; E145-K148 IonicContact OE2-NZ 3.77Å; E145-K148 PolarHBondContact OE2-NZ 3.13Å; R146-K148 PolarHBondContact O-N 2.88Å; K148-A151 PolarHBondContact O-N 2.96Å; K148-A152 PolarHBondContact O-N 3.42Å
149H96Very high96.2Very high117 Ų11751.4 Ų51.454%0.54225%0.25SC..Hα-helixtrans-63.6-44.3175.6-176.377.5000111.9E145 R146 F147 A152 N153E145-H149 PolarHBondContact O-N 2.81Å; R146-H149 WeakPolarHBondContact O-CB 3.49Å; R146-H149 PolarHBondContact O-N 2.79Å; F147-H149 VanDerWaalsContact C-N 3.26Å; F147-H149 PolarHBondContact O-N 2.84Å; H149-A152 PolarHBondContact O-N 3.45Å; H149-N153 PolarHBondContact CD2-ND2 2.85Å; H149-N153 PolarHBondContact NE2-ND2 3.22Å; H149-N153 PolarHBondContact O-N 3.23Å
150H95.7Very high96.4Very high64 Ų6454.3 Ų54.330%0.29626%0.261SS..Hα-helixtrans-64.8-37.8176-68.8-47.9000113H32 R146 F147 N153 A154H32-H150 AromaticContact CE1-ND1 3.65Å; H32-H150 AromaticContact NE2-ND1 3.84Å; R146-H150 WeakPolarHBondContact CG-NE2 3.44Å; R146-H150 PolarHBondContact O-CD2 3.3Å; R146-H150 VanDerWaalsContact O-CD2 3.24Å; R146-H150 PolarHBondContact O-N 2.75Å; R146-H150 VanDerWaalsContact O-N 3.07Å; F147-H150 CarbonylContact O-C 3.52Å; F147-H150 PolarHBondContact O-N 3.45Å; H150-N153 PolarHBondContact O-N 3.24Å; H150-A154 WeakPolarHBondContact O-CB 3.12Å; H150-A154 PolarHBondContact O-N 3.43Å
151A97.4Very high96.5Very high7 Ų753.5 Ų53.56%0.05826%0.258CS..Hα-helixtrans-62.9-43.7175.800000111.5F147 K148 N153 A154 N155F147-A151 HydrophobicContact CE1-CB 4.2Å; F147-A151 WeakPolarHBondContact O-CB 3.4Å; F147-A151 PolarHBondContact O-N 2.92Å; K148-A151 PolarHBondContact O-N 2.96Å; A151-N153 PolarHBondContact O-N 3.03Å; A151-A154 PolarHBondContact O-N 2.87Å; A151-N155 PolarHBondContact O-N 3Å; A151-N155 VanDerWaalsContact O-N 3.09Å
152A97.7Very high96.6Very high45 Ų4547.6 Ų47.637%0.37223%0.233SC..Hα-helixtrans-62-42.6174.400000111.9K148 H149 N155 K156K148-A152 PolarHBondContact O-N 3.42Å; H149-A152 PolarHBondContact O-N 3.45Å; A152-N155 PolarHBondContact O-N 3.45Å; A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 3.08Å; A152-K156 VanDerWaalsContact O-N 3.14Å
153N97.7Very high96.8Very high21 Ų2146 Ų4611%0.11223%0.232CC..Hα-helixtrans-68.6-33.6176.7-72.5-8.6000112.8F29 H149 H150 A151 N155 K156 G157F29-N153 HydrophobicContact CB-CB 4.06Å; F29-N153 WeakPolarHBondContact O-CB 3.45Å; F29-N153 PolarHBondContact O-ND2 3.02Å; H149-N153 PolarHBondContact CD2-ND2 2.85Å; H149-N153 PolarHBondContact NE2-ND2 3.22Å; H149-N153 PolarHBondContact O-N 3.23Å; H150-N153 PolarHBondContact O-N 3.24Å; A151-N153 PolarHBondContact O-N 3.03Å; N153-N155 VanDerWaalsContact C-N 3.33Å; N153-K156 PolarHBondContact O-N 3Å; N153-G157 PolarHBondContact O-N 3.07Å
154A97.3Very high96.8Very high21 Ų2150.2 Ų50.217%0.17425%0.245CC..Hα-helixtrans-63.3-40.717400000111.1H150 A151 G157 L158H150-A154 WeakPolarHBondContact O-CB 3.12Å; H150-A154 PolarHBondContact O-N 3.43Å; A151-A154 PolarHBondContact O-N 2.87Å; A154-G157 PolarHBondContact O-N 3.07Å; A154-L158 PolarHBondContact O-N 3.48Å
155N98.1Very high96.5Very high27 Ų2752.3 Ų52.314%0.14426%0.255CS..Hα-helixtrans-62.9-43.5174.3-69.2-3.4000111.6S8 F10 L122 R124 A151 A152 N153 G157 L158 Q159S8-N155 PolarHBondContact OG-ND2 2.86Å; S8-N155 VanDerWaalsContact OG-ND2 3.11Å; F10-N155 HydrophobicContact CE1-CB 4.34Å; F10-N155 HydrophobicContact CZ-CB 4.22Å; L122-N155 WeakPolarHBondContact CD2-OD1 3.42Å; R124-N155 PolarHBondContact NH2-OD1 3.45Å; A151-N155 PolarHBondContact O-N 3Å; A151-N155 VanDerWaalsContact O-N 3.09Å; A152-N155 PolarHBondContact O-N 3.45Å; N153-N155 VanDerWaalsContact C-N 3.33Å; N155-G157 VanDerWaalsContact C-N 3.35Å; N155-G157 PolarHBondContact O-N 2.97Å; N155-L158 PolarHBondContact O-N 3.11Å; N155-Q159 WeakPolarHBondContact O-CG 3.09Å; N155-Q159 PolarHBondContact O-N 3.46Å
156K98.2Very high96.3Very high97 Ų9754.8 Ų54.842%0.42226%0.264SS..Hα-helixtrans-62.4-40.8174.5-66.9176.4-177.6177.80112.3F29 A152 N153 L158 Q159 F160F29-K156 HydrophobicContact CB-CB 4.21Å; F29-K156 HydrophobicContact CD1-CB 3.84Å; F29-K156 HydrophobicContact CD1-CD 3.72Å; F29-K156 HydrophobicContact CD1-CG 4.44Å; F29-K156 HydrophobicContact CD2-CB 3.62Å; F29-K156 HydrophobicContact CE1-CB 4.09Å; F29-K156 HydrophobicContact CE1-CD 3.86Å; F29-K156 HydrophobicContact CE2-CB 3.88Å; F29-K156 HydrophobicContact CG-CB 3.6Å; F29-K156 HydrophobicContact CG-CD 4.31Å; F29-K156 HydrophobicContact CZ-CB 4.1Å; A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 3.08Å; A152-K156 VanDerWaalsContact O-N 3.14Å; N153-K156 PolarHBondContact O-N 3Å; K156-L158 VanDerWaalsContact C-N 3.34Å; K156-L158 PolarHBondContact O-N 2.84Å; K156-Q159 PolarHBondContact O-N 3.25Å; K156-F160 WeakPolarHBondContact O-CB 3.42Å; K156-F160 PolarHBondContact O-N 3.21Å
157G97.9Very high96.1Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-62.6-39.2175.500000112.9N27 N153 A154 N155 F160 A161N27-G157 VanDerWaalsContact CG-CA 3.43Å; N27-G157 WeakPolarHBondContact OD1-CA 3.33Å; N153-G157 PolarHBondContact O-N 3.07Å; A154-G157 PolarHBondContact O-N 3.07Å; N155-G157 VanDerWaalsContact C-N 3.35Å; N155-G157 PolarHBondContact O-N 2.97Å; G157-F160 WeakPolarHBondContact O-CB 3.44Å; G157-F160 PolarHBondContact O-N 3.47Å; G157-A161 PolarHBondContact O-N 2.9Å
158L98Very high95.9Very high3 Ų357.6 Ų57.62%0.01629%0.287CS..Hα-helixtrans-68.5-42.5175.1-174.255000112F10 V17 A20 F21 Y109 A154 N155 K156 F160 A161 L162F10-L158 HydrophobicContact CE1-CB 4.3Å; F10-L158 HydrophobicContact CE1-CD2 3.98Å; F10-L158 HydrophobicContact CE1-CG 4.27Å; F10-L158 HydrophobicContact CE2-CD2 4.05Å; F10-L158 HydrophobicContact CZ-CD2 3.71Å; F10-L158 HydrophobicContact CZ-CG 4.47Å; V17-L158 HydrophobicContact CG1-CD2 4.07Å; A20-L158 HydrophobicContact CB-CD1 3.9Å; F21-L158 HydrophobicContact CB-CD1 4.39Å; Y109-L158 HydrophobicContact CE1-CD2 3.88Å; A154-L158 PolarHBondContact O-N 3.48Å; N155-L158 PolarHBondContact O-N 3.11Å; K156-L158 VanDerWaalsContact C-N 3.34Å; K156-L158 PolarHBondContact O-N 2.84Å; L158-F160 VanDerWaalsContact C-N 3.28Å; L158-F160 PolarHBondContact O-N 3.39Å; L158-A161 PolarHBondContact O-N 3.4Å; L158-L162 HydrophobicContact CG-CD1 4.42Å; L158-L162 WeakPolarHBondContact O-CG 3.5Å; L158-L162 PolarHBondContact O-N 2.93Å
159Q97.4Very high95.5Very high103 Ų10355.9 Ų55.948%0.48129%0.288SS..Hα-helixtrans-59.8-38.9172.8-74174.7-23.100112.2F10 N155 K156 L162 A163F10-Q159 HydrophobicContact CD1-CG 4.06Å; F10-Q159 HydrophobicContact CE1-CG 4.1Å; N155-Q159 WeakPolarHBondContact O-CG 3.09Å; N155-Q159 PolarHBondContact O-N 3.46Å; K156-Q159 PolarHBondContact O-N 3.25Å; Q159-L162 PolarHBondContact O-N 2.97Å; Q159-A163 PolarHBondContact O-N 3.42Å
160F97.6Very high95.1Very high75 Ų7557.6 Ų57.633%0.32929%0.29SS..Hα-helixtrans-62.1-43.3174.4177.1-96.3000112.1N27 P28 F29 K156 G157 L158 A163 R164N27-F160 HydrophobicContact CB-CD1 3.75Å; N27-F160 HydrophobicContact CB-CE1 4.25Å; N27-F160 HydrophobicContact CB-CG 4.45Å; P28-F160 HydrophobicContact CG-CD2 4.29Å; P28-F160 HydrophobicContact CG-CE2 4.24Å; F29-F160 HydrophobicContact CE2-CB 4.16Å; K156-F160 WeakPolarHBondContact O-CB 3.42Å; K156-F160 PolarHBondContact O-N 3.21Å; G157-F160 WeakPolarHBondContact O-CB 3.44Å; G157-F160 PolarHBondContact O-N 3.47Å; L158-F160 VanDerWaalsContact C-N 3.28Å; L158-F160 PolarHBondContact O-N 3.39Å; F160-A163 PolarHBondContact O-N 3.05Å; F160-R164 HydrophobicContact CE1-CG 4.26Å; F160-R164 HydrophobicContact CZ-CG 4.34Å; F160-R164 WeakPolarHBondContact O-CG 3.49Å; F160-R164 PolarHBondContact O-N 3.1Å; F160-R164 VanDerWaalsContact O-N 3.08Å
161A97.3Very high94.8Very high3 Ų359.9 Ų59.93%0.02530%0.301CS..Hα-helixtrans-66.1-40.4176.300000112.7A20 G157 L158 R164 Q165A20-A161 HydrophobicContact CB-CB 4.1Å; G157-A161 PolarHBondContact O-N 2.9Å; L158-A161 PolarHBondContact O-N 3.4Å; A161-R164 PolarHBondContact O-N 3.37Å; A161-Q165 PolarHBondContact O-N 3.49Å
162L96.9Very high94.4Very high12 Ų1265.7 Ų65.76%0.06333%0.327CS..Hα-helixtrans-57.5-48.5173.5-78.9162.4000111.8F10 N12 D16 V17 A20 L158 Q159 R164 Q165 F166F10-L162 HydrophobicContact CD1-CD1 4.36Å; N12-L162 HydrophobicContact CB-CD1 4.41Å; N12-L162 HydrophobicContact CB-CD2 4.11Å; D16-L162 HydrophobicContact CB-CD2 3.86Å; D16-L162 WeakPolarHBondContact O-CD2 3.45Å; V17-L162 HydrophobicContact CG2-CD1 4.26Å; V17-L162 HydrophobicContact CG2-CD2 4.36Å; A20-L162 HydrophobicContact CB-CB 4.41Å; A20-L162 HydrophobicContact CB-CD2 3.67Å; A20-L162 HydrophobicContact CB-CG 3.62Å; L158-L162 HydrophobicContact CG-CD1 4.42Å; L158-L162 WeakPolarHBondContact O-CG 3.5Å; L158-L162 PolarHBondContact O-N 2.93Å; Q159-L162 PolarHBondContact O-N 2.97Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 3.36Å; L162-Q165 PolarHBondContact O-N 2.87Å; L162-F166 PolarHBondContact O-N 3.38Å; L162-F166 VanDerWaalsContact O-N 3.1Å
163A95.8Very high94Very high53 Ų5369.3 Ų69.344%0.43834%0.336SS..Hα-helixtrans-61.3-41.417800000111.9Q159 F160 F166 L167Q159-A163 PolarHBondContact O-N 3.42Å; F160-A163 PolarHBondContact O-N 3.05Å; A163-F166 PolarHBondContact O-N 2.76Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 3.27Å; A163-L167 VanDerWaalsContact O-N 3.1Å
164R94.7Very high93.3Very high107 Ų10773.8 Ų73.840%0.40436%0.358SS..Hα-helixtrans-63.6-43.6176.3-75.6-179.164-128.5-0.8112.6F160 A161 L162 F166 L167 L168F160-R164 HydrophobicContact CE1-CG 4.26Å; F160-R164 HydrophobicContact CZ-CG 4.34Å; F160-R164 WeakPolarHBondContact O-CG 3.49Å; F160-R164 PolarHBondContact O-N 3.1Å; F160-R164 VanDerWaalsContact O-N 3.08Å; A161-R164 PolarHBondContact O-N 3.37Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 3.36Å; R164-F166 VanDerWaalsContact C-N 3.32Å; R164-F166 PolarHBondContact O-N 2.89Å; R164-L167 PolarHBondContact O-N 3.16Å; R164-L168 WeakPolarHBondContact O-CG 3.32Å; R164-L168 PolarHBondContact O-N 3.05Å
165Q91.1Very high92.6Very high45 Ų4580.6 Ų80.621%0.2139%0.386CS..Hα-helixtrans-59.5-45.3178.3-178.2-179.7-22.400111.1A161 L162 L168 A169A161-Q165 PolarHBondContact O-N 3.49Å; L162-Q165 PolarHBondContact O-N 2.87Å; Q165-L168 PolarHBondContact O-N 2.79Å; Q165-A169 PolarHBondContact O-N 2.86Å
166F90.3Very high91.6Very high140 Ų14087.4 Ų87.461%0.61442%0.416SS*.Hα-helixtrans-62.2-43.3177.6-177.3-99.8000112.7L162 A163 R164 A169 R170L162-F166 PolarHBondContact O-N 3.38Å; L162-F166 VanDerWaalsContact O-N 3.1Å; A163-F166 PolarHBondContact O-N 2.76Å; R164-F166 VanDerWaalsContact C-N 3.32Å; R164-F166 PolarHBondContact O-N 2.89Å; F166-A169 PolarHBondContact O-N 3.42Å; F166-R170 PolarHBondContact O-N 3.44Å; F166-R170 VanDerWaalsContact O-N 3.08Å
167L90.6Very high90.5Very high102 Ų10292.8 Ų92.853%0.53444%0.443SS..Hα-helixtrans-63.3-42.5177.7-70.7171.3000112.3A163 R164 R170 Q171A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 3.27Å; A163-L167 VanDerWaalsContact O-N 3.1Å; R164-L167 PolarHBondContact O-N 3.16Å; L167-R170 PolarHBondContact O-N 3.42Å; L167-Q171 WeakPolarHBondContact O-CG 3.49Å; L167-Q171 PolarHBondContact O-N 3.15Å
168L90.2Very high90.1Very high87 Ų8797.5 Ų97.546%0.45547%0.465SS..Hα-helixtrans-64.5-43.5178.1-71.4170.4000111.8R164 Q165 R170 Q171 Q172R164-L168 WeakPolarHBondContact O-CG 3.32Å; R164-L168 PolarHBondContact O-N 3.05Å; Q165-L168 PolarHBondContact O-N 2.79Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 3.38Å; L168-Q171 PolarHBondContact O-N 2.91Å; L168-Q172 WeakPolarHBondContact O-CG 3.35Å; L168-Q172 PolarHBondContact O-N 3.22Å
169A88.8Confident89.7Confident44 Ų44102.4 Ų102.436%0.36449%0.489SS..Hα-helixtrans-60.5-42.1176.700000111.6Q165 F166 Q172 Q173Q165-A169 PolarHBondContact O-N 2.86Å; F166-A169 PolarHBondContact O-N 3.42Å; A169-Q172 PolarHBondContact O-N 3.05Å; A169-Q173 WeakPolarHBondContact O-CG 3.14Å; A169-Q173 PolarHBondContact O-N 3.08Å; A169-Q173 VanDerWaalsContact O-N 3.16Å
170R88.6Confident89.3Confident154 Ų154102.4 Ų102.458%0.58149%0.489SS*.Hα-helixtrans-66-40177.5-170.5175.9-177.8177.11.5112.7F166 L167 L168 Q172 Q173 M174F166-R170 PolarHBondContact O-N 3.44Å; F166-R170 VanDerWaalsContact O-N 3.08Å; L167-R170 PolarHBondContact O-N 3.42Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 3.38Å; R170-Q172 VanDerWaalsContact C-N 3.32Å; R170-Q172 PolarHBondContact O-N 3.08Å; R170-Q173 PolarHBondContact O-N 3.21Å; R170-M174 WeakPolarHBondContact O-CG 3.45Å; R170-M174 PolarHBondContact O-N 3.28Å; R170-M174 VanDerWaalsContact O-N 3.15Å
171Q90Very high88.8Confident112 Ų112104 Ų10452%0.52350%0.499SS..Hα-helixtrans-62.9-40.2175.7-75174-1800111.6L167 L168 Q173 M174 H175L167-Q171 WeakPolarHBondContact O-CG 3.49Å; L167-Q171 PolarHBondContact O-N 3.15Å; L168-Q171 PolarHBondContact O-N 2.91Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q173 PolarHBondContact O-N 2.77Å; Q171-M174 PolarHBondContact O-N 3.2Å; Q171-H175 PolarHBondContact O-CD2 3.31Å; Q171-H175 PolarHBondContact O-N 3.1Å
172Q89.1Confident88.2Confident129 Ų129110.3 Ų110.360%0.60353%0.529SS*.Hα-helixtrans-64-38.7177.5-72.1172.3-21.800112.5L168 A169 R170 H175 Q176L168-Q172 WeakPolarHBondContact O-CG 3.35Å; L168-Q172 PolarHBondContact O-N 3.22Å; A169-Q172 PolarHBondContact O-N 3.05Å; R170-Q172 VanDerWaalsContact C-N 3.32Å; R170-Q172 PolarHBondContact O-N 3.08Å; Q172-H175 PolarHBondContact O-N 3.21Å; Q172-Q176 WeakPolarHBondContact O-CG 3.34Å; Q172-Q176 PolarHBondContact O-N 3.43Å
173Q87.5Confident87.7Confident120 Ų120116.9 Ų116.956%0.56156%0.56SS**Hα-helixtrans-64.3-45.1175.4-72174.2-22.800111.9A169 R170 Q171 H175 Q176 E177A169-Q173 WeakPolarHBondContact O-CG 3.14Å; A169-Q173 PolarHBondContact O-N 3.08Å; A169-Q173 VanDerWaalsContact O-N 3.16Å; R170-Q173 PolarHBondContact O-N 3.21Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q173 PolarHBondContact O-N 2.77Å; Q173-H175 PolarHBondContact O-N 3.14Å; Q173-Q176 PolarHBondContact O-N 3.28Å; Q173-E177 PolarHBondContact O-N 3.31Å
174M84.2Confident87.1Confident116 Ų116121.4 Ų121.457%0.57157%0.568SS**Hα-helixtrans-62.2-22.8177.3-69-66.4-45.600114R170 Q171R170-M174 WeakPolarHBondContact O-CG 3.45Å; R170-M174 PolarHBondContact O-N 3.28Å; R170-M174 VanDerWaalsContact O-N 3.15Å; Q171-M174 PolarHBondContact O-N 3.2Å
175H82.1Confident86.5Confident164 Ų164122.5 Ų122.576%0.75958%0.581SS**THydrogen-bonded Turntrans-87.3-9.1176.1-74.2-59.1000113.4Q171 Q172 Q173Q171-H175 PolarHBondContact O-CD2 3.31Å; Q171-H175 PolarHBondContact O-N 3.1Å; Q172-H175 PolarHBondContact O-N 3.21Å; Q173-H175 PolarHBondContact O-N 3.14Å
176Q78.2Confident86.1Confident169 Ų169129 Ų12979%0.7961%0.612SS**THydrogen-bonded Turntrans-98.1-17.3178.3-70.6178.1-7.900113Q172 Q173Q172-Q176 WeakPolarHBondContact O-CG 3.34Å; Q172-Q176 PolarHBondContact O-N 3.43Å; Q173-Q176 PolarHBondContact O-N 3.28Å
177E73.5Confident85.7Confident211 Ų211128 Ų12899%0.98661%0.612SS**  trans-86.40171.1-65178.3175.600111.3Q173Q173-E177 PolarHBondContact O-N 3.31Å

Retrieved 177 of 177 residues in 87 ms (Link to these results)

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