A0A077ZGZ4_TRITR Loading...

Protein FAM206A

AlphaFold DB , UniProt , Accession A0A077ZGZ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M39Very low45.4Very low212 Ų212104.9 Ų104.9100%1.04456%0.562SS**  0107.10-116.6178-172.100107.4
2K42.4Very low45.4Very low200 Ų200106.5 Ų106.587%0.8756%0.564SS**PPolyproline II helixtrans-72.4135.9171.5-89.8179.2177.21750108.7L4K2-L4 PolarHBondContact O-N 2.78Å
3P39.6Very low45.5Very low123 Ų123101.9 Ų101.980%0.79954%0.542SS*.PPolyproline II helixtrans-62.6136.5177.926.7-31.8000108.9
4L43.4Very low45.6Very low59 Ų59102.6 Ų102.631%0.30955%0.551SS.*PPolyproline II helixtrans-63.3144169.1-81151.4000108.4K2 S6 K91 K92K2-L4 PolarHBondContact O-N 2.78Å; L4-S6 PolarHBondContact O-N 3.44Å; L4-K91 WeakPolarHBondContact CB-O 3.32Å; L4-K91 WeakPolarHBondContact CD1-O 3.41Å; L4-K92 VanDerWaalsContact CD1-CA 3.43Å; L4-K92 HydrophobicContact CD1-CB 4.42Å; L4-K92 HydrophobicContact CD1-CG 4.49Å
5P43.1Very low45.8Very low23 Ų23104.1 Ų104.115%0.14956%0.56CS.*PPolyproline II helixtrans-55.6134-177.720.8-29.9000109.9I9 V50P5-I9 HydrophobicContact CB-CB 4.24Å; P5-I9 HydrophobicContact CB-CD1 3.66Å; P5-I9 HydrophobicContact CB-CG2 4.23Å; P5-V50 HydrophobicContact CG-CG2 3.94Å
6S49.6Very low46.3Very low56 Ų56103.3 Ų103.339%0.39255%0.55SS..PPolyproline II helixtrans-54.4150.4179.6-19.70000110.7L4 E8 I9L4-S6 PolarHBondContact O-N 3.44Å; S6-E8 PolarHBondContact O-N 3.3Å; S6-E8 VanDerWaalsContact O-N 3.14Å; S6-I9 WeakPolarHBondContact O-CB 3.5Å; S6-I9 PolarHBondContact O-N 3.18Å
7P49.2Very low46.9Very low110 Ų11098.6 Ų98.671%0.71453%0.526SS*.Hα-helixtrans-54.7-29.8176.520.1-30.2000113.4I9 A10 E11P7-I9 PolarHBondContact O-N 2.82Å; P7-A10 WeakPolarHBondContact O-CB 3.44Å; P7-A10 PolarHBondContact O-N 3.21Å; P7-E11 PolarHBondContact O-N 3.42Å
8E50.4Low47.7Very low137 Ų137103.2 Ų103.264%0.6454%0.535SS*.Hα-helixtrans-56.8-31.4173.7-69.5161.6147.100113.4S6 A10 E11 E12S6-E8 PolarHBondContact O-N 3.3Å; S6-E8 VanDerWaalsContact O-N 3.14Å; E8-A10 VanDerWaalsContact C-N 3.31Å; E8-A10 PolarHBondContact O-N 2.84Å; E8-E11 PolarHBondContact O-N 3.35Å; E8-E12 PolarHBondContact O-N 2.86Å
9I49.7Very low48.8Very low48 Ų48105.6 Ų105.625%0.24654%0.543CS..Hα-helixtrans-75.2-24.6-179.2-60.3172.3000111.2P5 S6 P7 V13 N48P5-I9 HydrophobicContact CB-CB 4.24Å; P5-I9 HydrophobicContact CB-CD1 3.66Å; P5-I9 HydrophobicContact CB-CG2 4.23Å; S6-I9 WeakPolarHBondContact O-CB 3.5Å; S6-I9 PolarHBondContact O-N 3.18Å; P7-I9 PolarHBondContact O-N 2.82Å; I9-V13 WeakPolarHBondContact O-CG2 3.32Å; I9-N48 VanDerWaalsContact CG2-ND2 3.26Å; I9-N48 WeakPolarHBondContact CG2-ND2 3.49Å
10A46Very low49.8Very low42 Ų42104.4 Ų104.435%0.34754%0.544SS..Hα-helixtrans-75.6-35.5171.500000110.8P7 E8 V13P7-A10 WeakPolarHBondContact O-CB 3.44Å; P7-A10 PolarHBondContact O-N 3.21Å; E8-A10 VanDerWaalsContact C-N 3.31Å; E8-A10 PolarHBondContact O-N 2.84Å; A10-V13 PolarHBondContact O-N 3.27Å
11E46.5Very low51.1Low144 Ų144102 Ų10267%0.67353%0.531SS*.Hα-helixtrans-68.5-34174.6-72-172.3134.100112.5P7 E8 V13 V14P7-E11 PolarHBondContact O-N 3.42Å; E8-E11 PolarHBondContact O-N 3.35Å; E11-V13 PolarHBondContact O-N 3.13Å; E11-V14 WeakPolarHBondContact O-CB 3.5Å; E11-V14 PolarHBondContact O-N 3.19Å; E11-V14 VanDerWaalsContact O-N 3.09Å
12E45.7Very low53Low124 Ų12495.7 Ų95.758%0.57950%0.498SS*.THydrogen-bonded Turntrans-63.2-20.2173.3-100.2-172.3158.700113.9E8 V14E8-E12 PolarHBondContact O-N 2.86Å; E12-V14 VanDerWaalsContact C-N 3.32Å
13V46.9Very low55Low47 Ų4790.3 Ų90.329%0.28549%0.491SS..THydrogen-bonded Turntrans-81.7-15.2177.1-174.40000111.9I9 A10 E11 D15 I152I9-V13 WeakPolarHBondContact O-CG2 3.32Å; A10-V13 PolarHBondContact O-N 3.27Å; E11-V13 PolarHBondContact O-N 3.13Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 2.94Å; V13-I152 HydrophobicContact CB-CD1 4.26Å; V13-I152 HydrophobicContact CG1-CD1 3.54Å
14V47.3Very low57.4Low111 Ų11189.3 Ų89.367%0.67348%0.475SS*.THydrogen-bonded Turntrans-74.4-24.5-179.2-171.60000111.4E11 E12E11-V14 WeakPolarHBondContact O-CB 3.5Å; E11-V14 PolarHBondContact O-N 3.19Å; E11-V14 VanDerWaalsContact O-N 3.09Å; E12-V14 VanDerWaalsContact C-N 3.32Å
15D47.7Very low59.7Low126 Ų12688.5 Ų88.567%0.67447%0.467SS*.SBendtrans-105.7105.2170.9-152.721.6000109.3V13V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 2.94Å
16F54.5Low62.2Low91 Ų9190.9 Ų90.940%0.39948%0.482SS..  trans-13.7125.8174.9-115.1-108.3000116.8R18 D143 W146 R147F16-R18 PolarHBondContact O-N 3.05Å; F16-D143 WeakPolarHBondContact CE1-OD2 3.33Å; F16-D143 WeakPolarHBondContact CZ-OD2 3.14Å; F16-W146 HydrophobicContact CD1-CB 4.3Å; F16-W146 HydrophobicContact CE1-CB 3.3Å; F16-W146 AromaticContact CE1-CG 3.94Å; F16-W146 HydrophobicContact CE1-CG 3.94Å; F16-W146 HydrophobicContact CE2-CB 4.01Å; F16-W146 HydrophobicContact CZ-CB 3.08Å; F16-W146 HydrophobicContact CZ-CG 4.19Å; F16-R147 HydrophobicContact CD2-CG 4.2Å; F16-R147 HydrophobicContact CE1-CG 4.12Å; F16-R147 HydrophobicContact CE2-CB 3.96Å; F16-R147 HydrophobicContact CE2-CG 3.1Å; F16-R147 HydrophobicContact CZ-CB 3.88Å; F16-R147 HydrophobicContact CZ-CG 3.06Å
17P56.6Low64.3Low23 Ų2391.5 Ų91.515%0.14948%0.478CS..  trans-63.2118.4-177.324-29.5000109.4M21 W146P17-M21 HydrophobicContact CB-CB 3.63Å; P17-M21 HydrophobicContact CB-SD 4.17Å; P17-W146 HydrophobicContact CG-CD2 3.99Å; P17-W146 HydrophobicContact CG-CE3 3.42Å; P17-W146 VanDerWaalsContact CG-CE3 3.42Å; P17-W146 HydrophobicContact CG-CH2 4.33Å; P17-W146 HydrophobicContact CG-CZ3 3.61Å
18R61.8Low66.6Low181 Ų18188.5 Ų88.568%0.68345%0.452SS*.  trans-52.3155.9170.3-63-179.4-174.5177.52.5108.9F16 S20 M21 K22F16-R18 PolarHBondContact O-N 3.05Å; R18-S20 PolarHBondContact O-N 3.41Å; R18-M21 WeakPolarHBondContact O-CA 3.49Å; R18-M21 WeakPolarHBondContact O-CB 3.35Å; R18-M21 PolarHBondContact O-N 2.84Å; R18-K22 PolarHBondContact O-N 2.89Å
19E68Low68.8Low149 Ų14982.5 Ų82.570%0.69642%0.424SS*.Hα-helixtrans-47.6-38.2178.4-148.297.2-118.200112.5M21 K22E19-M21 VanDerWaalsContact C-N 3.3Å; E19-M21 PolarHBondContact O-N 3.18Å; E19-K22 WeakPolarHBondContact O-CB 3.41Å; E19-K22 PolarHBondContact O-N 2.81Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 3.22Å
20S69.3Low70.9Confident81 Ų8181.3 Ų81.357%0.56642%0.419SS*.Hα-helixtrans-63.8-29.3176.553.70000114.2R18R18-S20 PolarHBondContact O-N 3.41Å
21M75.9Confident73.1Confident55 Ų5580.9 Ų80.927%0.27141%0.412SS..Hα-helixtrans-76.7-26.2178.4-71.3-179.516300112.5P17 R18 E19 A23 F24 Y25P17-M21 HydrophobicContact CB-CB 3.63Å; P17-M21 HydrophobicContact CB-SD 4.17Å; R18-M21 WeakPolarHBondContact O-CA 3.49Å; R18-M21 WeakPolarHBondContact O-CB 3.35Å; R18-M21 PolarHBondContact O-N 2.84Å; E19-M21 VanDerWaalsContact C-N 3.3Å; E19-M21 PolarHBondContact O-N 3.18Å; M21-A23 PolarHBondContact O-N 3.21Å; M21-A23 VanDerWaalsContact O-N 3.15Å; M21-F24 PolarHBondContact O-N 3.23Å; M21-Y25 WeakPolarHBondContact O-CD2 3.46Å
22K79.2Confident75Confident79 Ų7977.1 Ų77.134%0.34340%0.397SS..Hα-helixtrans-58.2-30.5177.9-61.7-179.3-178.1167.20112.2R18 E19 F24 Y25 W146R18-K22 PolarHBondContact O-N 2.89Å; E19-K22 WeakPolarHBondContact O-CB 3.41Å; E19-K22 PolarHBondContact O-N 2.81Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 3.22Å; K22-F24 PolarHBondContact O-N 3.21Å; K22-Y25 PolarHBondContact O-N 3.14Å; K22-W146 HydrophobicContact CD-CZ2 3.95Å; K22-W146 HydrophobicContact CG-CH2 4.01Å; K22-W146 HydrophobicContact CG-CZ2 3.77Å
23A83.8Confident76.5Confident88 Ų8871.9 Ų71.973%0.72737%0.374SS*.THydrogen-bonded Turntrans-65-18.3178.800000114M21 Y25M21-A23 PolarHBondContact O-N 3.21Å; M21-A23 VanDerWaalsContact O-N 3.15Å; A23-Y25 VanDerWaalsContact C-N 3.33Å
24F90.2Very high78Confident102 Ų10273.3 Ų73.345%0.44739%0.386SS..THydrogen-bonded Turntrans-86.9-3.6177.8-59.9-64.6000113.8M21 K22 H46 N47M21-F24 PolarHBondContact O-N 3.23Å; K22-F24 PolarHBondContact O-N 3.21Å; F24-H46 VanDerWaalsContact CB-CD2 3.45Å; F24-H46 WeakPolarHBondContact CB-CD2 3.35Å; F24-H46 WeakPolarHBondContact CB-NE2 3.23Å; F24-H46 AromaticContact CG-NE2 3.95Å; F24-H46 CarbonylContact O-C 3.34Å; F24-H46 WeakPolarHBondContact O-CA 3.14Å; F24-N47 VanDerWaalsContact CD1-ND2 3.25Å; F24-N47 WeakPolarHBondContact CD1-ND2 3.46Å; F24-N47 PolarHBondContact O-N 2.87Å
25Y92.5Very high79.5Confident41 Ų4171.4 Ų71.416%0.16139%0.388CS..EExtended strand (participates in β ladder)trans-104.5128.3-179.8-68.6-90.6000111.7M21 K22 A23 L44 L45 H46 V52M21-Y25 WeakPolarHBondContact O-CD2 3.46Å; K22-Y25 PolarHBondContact O-N 3.14Å; A23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-L44 HydrophobicContact CD1-CB 3.71Å; Y25-L44 HydrophobicContact CE1-CB 4.44Å; Y25-L44 HydrophobicContact CG-CB 4.32Å; Y25-L45 WeakPolarHBondContact CA-O 3.24Å; Y25-H46 HydrophobicContact CD1-CB 3.83Å; Y25-H46 AromaticContact CD2-CD2 3.87Å; Y25-H46 HydrophobicContact CE1-CB 3.54Å; Y25-H46 AromaticContact CE1-CD2 3.83Å; Y25-H46 AromaticContact CE1-CG 3.98Å; Y25-H46 AromaticContact CE2-CD2 3.51Å; Y25-H46 AromaticContact CZ-CD2 3.5Å; Y25-H46 VanDerWaalsContact CZ-CD2 3.5Å; Y25-H46 AromaticContact CZ-CG 3.98Å; Y25-V52 HydrophobicContact CE1-CG2 4.18Å
26T94.6Very high81.2Confident74 Ų7472 Ų7245%0.45438%0.381SS..EExtended strand (participates in β ladder)trans-96.8127.2168.1-55.10000109.4Y28 L45T26-Y28 HydrophobicContact CG2-CD2 4.4Å; T26-Y28 HydrophobicContact CG2-CE1 4.29Å; T26-Y28 HydrophobicContact CG2-CE2 3.64Å; T26-L45 PolarHBondContact N-O 3.09Å; T26-L45 PolarHBondContact O-N 2.98Å
27K95.6Very high82.6Confident69 Ų6975.9 Ų75.930%0.340%0.398SS..EExtended strand (participates in β ladder)trans-88.1129.8179.7-53.9-161.8172.9-177.80111.7F29 Y43 L44 E145 A171K27-F29 HydrophobicContact CB-CE2 3.88Å; K27-F29 HydrophobicContact CB-CZ 4.28Å; K27-F29 HydrophobicContact CD-CZ 4.46Å; K27-Y43 WeakPolarHBondContact CA-O 3.29Å; K27-L44 HydrophobicContact CB-CD2 4.32Å; K27-L44 HydrophobicContact CD-CD2 3.82Å; K27-L44 HydrophobicContact CG-CD2 3.58Å; K27-E145 IonicContact NZ-OE1 2.68Å; K27-E145 PolarHBondContact NZ-OE1 2.83Å; K27-E145 IonicContact NZ-OE2 3.64Å; K27-E145 PolarHBondContact NZ-OE2 2.92Å; K27-A171 HydrophobicContact CB-CB 4.3Å
28Y97.3Very high84.1Confident47 Ų4777.2 Ų77.218%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-125.1158.8168.8-60.8-76.1000110.4T26 C42 Y43 L45 F162 A163 L169T26-Y28 HydrophobicContact CG2-CD2 4.4Å; T26-Y28 HydrophobicContact CG2-CE1 4.29Å; T26-Y28 HydrophobicContact CG2-CE2 3.64Å; Y28-C42 CarbonylContact O-C 3.44Å; Y28-C42 WeakPolarHBondContact O-CA 3.31Å; Y28-Y43 PolarHBondContact N-O 2.73Å; Y28-Y43 PolarHBondContact O-N 3.26Å; Y28-L45 HydrophobicContact CD2-CB 4.18Å; Y28-L45 HydrophobicContact CE2-CB 4.03Å; Y28-L45 HydrophobicContact CE2-CD2 3.84Å; Y28-F162 HydrophobicContact CD2-CD1 4.17Å; Y28-F162 HydrophobicContact CD2-CE1 4.37Å; Y28-F162 HydrophobicContact CE2-CD1 4.44Å; Y28-A163 HydrophobicContact CD1-CB 3.49Å; Y28-A163 VanDerWaalsContact CD1-CB 3.49Å; Y28-A163 HydrophobicContact CE1-CB 3.37Å; Y28-A163 HydrophobicContact CE2-CB 4.47Å; Y28-A163 HydrophobicContact CG-CB 4.1Å; Y28-L169 CarbonylContact C-O 3.56Å; Y28-L169 VanDerWaalsContact CA-O 3.27Å; Y28-L169 WeakPolarHBondContact CA-O 3.3Å
29F96.6Very high85.6Confident10 Ų1069.5 Ų69.54%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-135144.2-176.1-63.7-93.9000111.2K27 L41 C42 A56 L168 L169 A171 Y174K27-F29 HydrophobicContact CB-CE2 3.88Å; K27-F29 HydrophobicContact CB-CZ 4.28Å; K27-F29 HydrophobicContact CD-CZ 4.46Å; F29-L41 WeakPolarHBondContact CA-O 3.39Å; F29-C42 HydrophobicContact CD1-CB 3.81Å; F29-C42 HydrophobicContact CE1-CB 3.55Å; F29-C42 WeakPolarHBondContact CE1-SG 3.43Å; F29-C42 HydrophobicContact CZ-CB 4.28Å; F29-C42 VanDerWaalsContact CZ-SG 3.52Å; F29-A56 HydrophobicContact CD1-CB 3.94Å; F29-A56 HydrophobicContact CE1-CB 4.19Å; F29-L168 CarbonylContact O-C 3.17Å; F29-L168 WeakPolarHBondContact O-CA 3.29Å; F29-L169 PolarHBondContact N-O 3.02Å; F29-L169 PolarHBondContact O-N 2.87Å; F29-A171 HydrophobicContact CE2-CB 3.86Å; F29-Y174 HydrophobicContact CB-CD1 4.48Å; F29-Y174 HydrophobicContact CB-CD2 3.44Å; F29-Y174 VanDerWaalsContact CB-CD2 3.44Å; F29-Y174 HydrophobicContact CB-CE2 4.08Å; F29-Y174 HydrophobicContact CB-CG 3.66Å; F29-Y174 AromaticContact CD1-CD1 3.8Å; F29-Y174 HydrophobicContact CD1-CD1 3.8Å; F29-Y174 AromaticContact CD1-CD2 3.94Å; F29-Y174 HydrophobicContact CD1-CD2 3.94Å; F29-Y174 AromaticContact CD1-CE1 3.86Å; F29-Y174 HydrophobicContact CD1-CE1 3.86Å; F29-Y174 AromaticContact CD1-CE2 3.98Å; F29-Y174 HydrophobicContact CD1-CE2 3.98Å; F29-Y174 AromaticContact CD1-CG 3.83Å; F29-Y174 HydrophobicContact CD1-CG 3.83Å; F29-Y174 AromaticContact CD1-CZ 3.94Å; F29-Y174 HydrophobicContact CD2-CD1 4.05Å; F29-Y174 HydrophobicContact CD2-CD2 4.45Å; F29-Y174 AromaticContact CD2-CG 3.81Å; F29-Y174 HydrophobicContact CD2-CG 3.81Å; F29-Y174 AromaticContact CE1-CD1 3.98Å; F29-Y174 HydrophobicContact CE1-CD1 3.98Å; F29-Y174 AromaticContact CE1-CE1 3.95Å; F29-Y174 HydrophobicContact CE1-CE1 3.95Å; F29-Y174 HydrophobicContact CE1-CG 4.45Å; F29-Y174 HydrophobicContact CE2-CD1 4.25Å; F29-Y174 HydrophobicContact CE2-CG 4.46Å; F29-Y174 AromaticContact CG-CD1 3.83Å; F29-Y174 HydrophobicContact CG-CD1 3.83Å; F29-Y174 AromaticContact CG-CD2 3.69Å; F29-Y174 HydrophobicContact CG-CD2 3.69Å; F29-Y174 HydrophobicContact CG-CE1 4.35Å; F29-Y174 HydrophobicContact CG-CE2 4.2Å; F29-Y174 AromaticContact CG-CG 3.47Å; F29-Y174 HydrophobicContact CG-CG 3.47Å; F29-Y174 VanDerWaalsContact CG-CG 3.47Å; F29-Y174 HydrophobicContact CZ-CD1 4.21Å
30V94Very high86.9Confident23 Ų2362.4 Ų62.414%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-110.5134.5162.2690000107.9A33 D40 L41 Y43 L168V30-A33 HydrophobicContact CG1-CB 4.22Å; V30-D40 WeakPolarHBondContact O-CA 3.42Å; V30-D40 WeakPolarHBondContact O-CB 3.49Å; V30-L41 HydrophobicContact CG1-CB 3.77Å; V30-L41 HydrophobicContact CG1-CG 4.31Å; V30-L41 PolarHBondContact N-O 3.48Å; V30-L41 PolarHBondContact O-N 2.98Å; V30-L41 VanDerWaalsContact O-N 3.14Å; V30-Y43 HydrophobicContact CB-CE2 4.02Å; V30-Y43 HydrophobicContact CG1-CE2 3.73Å; V30-L168 HydrophobicContact CB-CD2 3.93Å
31V91.2Very high88.2Confident34 Ų3458.7 Ų58.721%0.20632%0.316CS..SBendtrans-101.7143.8178.2-176.70000108.9A33 D40 L169 Y174 L177V31-A33 PolarHBondContact O-N 2.93Å; V31-D40 VanDerWaalsContact CA-OD1 3.32Å; V31-D40 WeakPolarHBondContact CA-OD1 3.24Å; V31-L169 HydrophobicContact CG2-CD1 3.66Å; V31-Y174 HydrophobicContact CG2-CD2 3.78Å; V31-Y174 HydrophobicContact CG2-CE2 4.02Å; V31-L177 HydrophobicContact CG1-CD2 4.15Å; V31-L177 HydrophobicContact CG2-CD2 4.34Å
32D87.2Confident89.2Confident65 Ų6556 Ų5635%0.34830%0.303SS..SBendtrans48.159.2179.2-60-33.6000111.7C34 G35 R36 K37 N38 D40D32-C34 PolarHBondContact O-N 3.17Å; D32-G35 WeakPolarHBondContact O-CA 3.43Å; D32-G35 PolarHBondContact O-N 3.38Å; D32-R36 CarbonylContact C-O 3.58Å; D32-R36 VanDerWaalsContact CA-O 3.23Å; D32-R36 WeakPolarHBondContact CA-O 3.16Å; D32-K37 VanDerWaalsContact OD1-CA 3.26Å; D32-K37 WeakPolarHBondContact OD1-CA 3.46Å; D32-N38 PolarHBondContact OD1-N 3.34Å; D32-D40 PolarHBondContact N-OD1 2.72Å
33A77.3Confident90Very high13 Ų1352.3 Ų52.311%0.10729%0.286CS..G310 helixtrans-54.6120.1-172.200000110.6V30 V31 G35 R36 E39V30-A33 HydrophobicContact CG1-CB 4.22Å; V31-A33 PolarHBondContact O-N 2.93Å; A33-G35 VanDerWaalsContact C-N 3.28Å; A33-G35 PolarHBondContact O-N 3.29Å; A33-R36 PolarHBondContact O-N 3.12Å; A33-E39 WeakPolarHBondContact CB-O 3.49Å; A33-E39 PolarHBondContact N-O 2.88Å
34C76.4Confident90.6Very high78 Ų7848.1 Ų48.153%0.52725%0.252SS..G310 helixtrans55.636.2-174-64.70000114.8D32 R36 R119D32-C34 PolarHBondContact O-N 3.17Å; C34-R36 VanDerWaalsContact C-N 3.33Å; C34-R36 PolarHBondContact O-N 2.87Å; C34-R119 WeakPolarHBondContact SG-CD 3.47Å
35G78.9Confident90.9Very high70 Ų7043.4 Ų43.472%0.72223%0.231SC*.G310 helixtrans78.214.117400000114.3D32 A33D32-G35 WeakPolarHBondContact O-CA 3.43Å; D32-G35 PolarHBondContact O-N 3.38Å; A33-G35 VanDerWaalsContact C-N 3.28Å; A33-G35 PolarHBondContact O-N 3.29Å
36R83.5Confident90.9Very high140 Ų14042.9 Ų42.953%0.52823%0.23SC..  trans-97.4115.3179.1-64.5-72.5-78.3-164.1-11.1109.7D32 A33 C34 N38 E39D32-R36 CarbonylContact C-O 3.58Å; D32-R36 VanDerWaalsContact CA-O 3.23Å; D32-R36 WeakPolarHBondContact CA-O 3.16Å; A33-R36 PolarHBondContact O-N 3.12Å; C34-R36 VanDerWaalsContact C-N 3.33Å; C34-R36 PolarHBondContact O-N 2.87Å; R36-N38 PolarHBondContact O-N 3.01Å; R36-E39 HydrophobicContact CB-CB 3.85Å; R36-E39 HydrophobicContact CB-CG 3.71Å; R36-E39 WeakPolarHBondContact CB-OE1 3.43Å; R36-E39 IonicContact CZ-OE1 3.53Å; R36-E39 IonicContact NE-OE1 2.65Å; R36-E39 PolarHBondContact NE-OE1 3.46Å; R36-E39 IonicContact NH2-OE1 2.89Å; R36-E39 PolarHBondContact O-N 2.9Å
37K85.5Confident90.7Very high171 Ų17142.8 Ų42.874%0.74323%0.227SC*.THydrogen-bonded Turntrans-52.8124.5-173.4-171177.6-178.5178.80111.6D32 E39D32-K37 VanDerWaalsContact OD1-CA 3.26Å; D32-K37 WeakPolarHBondContact OD1-CA 3.46Å; K37-E39 PolarHBondContact O-N 2.83Å; K37-E39 VanDerWaalsContact O-N 3.13Å
38N87.1Confident90.4Very high51 Ų5142 Ų4227%0.27323%0.226SC..THydrogen-bonded Turntrans59.67.4-179.6-65.2-40000115.6D32 R36 D40 H59 P60 K178D32-N38 PolarHBondContact OD1-N 3.34Å; R36-N38 PolarHBondContact O-N 3.01Å; N38-D40 PolarHBondContact O-N 2.8Å; N38-H59 VanDerWaalsContact O-CA 3.28Å; N38-H59 WeakPolarHBondContact O-CA 3.43Å; N38-P60 WeakPolarHBondContact O-CD 3.39Å; N38-K178 PolarHBondContact OD1-NZ 3.27Å
39E93.2Very high90.1Very high20 Ų2040.5 Ų40.59%0.09323%0.225CC..  trans-74.857.2171.6-65.2-172.1-144.800110A33 R36 K37 F116A33-E39 WeakPolarHBondContact CB-O 3.49Å; A33-E39 PolarHBondContact N-O 2.88Å; R36-E39 HydrophobicContact CB-CB 3.85Å; R36-E39 HydrophobicContact CB-CG 3.71Å; R36-E39 WeakPolarHBondContact CB-OE1 3.43Å; R36-E39 IonicContact CZ-OE1 3.53Å; R36-E39 IonicContact NE-OE1 2.65Å; R36-E39 PolarHBondContact NE-OE1 3.46Å; R36-E39 IonicContact NH2-OE1 2.89Å; R36-E39 PolarHBondContact O-N 2.9Å; K37-E39 PolarHBondContact O-N 2.83Å; K37-E39 VanDerWaalsContact O-N 3.13Å; E39-F116 HydrophobicContact CG-CD1 4.19Å
40D95.2Very high89.9Confident0 Ų040.8 Ų40.80%023%0.227CC..  trans-83144.3-171.3-59.3-13.4000111.2V30 V31 D32 N38 A56 S58 H59 Y174 K178V30-D40 WeakPolarHBondContact O-CA 3.42Å; V30-D40 WeakPolarHBondContact O-CB 3.49Å; V31-D40 VanDerWaalsContact CA-OD1 3.32Å; V31-D40 WeakPolarHBondContact CA-OD1 3.24Å; D32-D40 PolarHBondContact N-OD1 2.72Å; N38-D40 PolarHBondContact O-N 2.8Å; D40-A56 HydrophobicContact CB-CB 3.64Å; D40-A56 WeakPolarHBondContact O-CB 3.42Å; D40-A56 PolarHBondContact O-N 3.46Å; D40-S58 VanDerWaalsContact CB-OG 3.32Å; D40-S58 WeakPolarHBondContact CB-OG 3.44Å; D40-S58 VanDerWaalsContact CG-OG 3.22Å; D40-S58 PolarHBondContact OD2-OG 2.76Å; D40-H59 PolarHBondContact O-CD2 2.85Å; D40-Y174 HydrophobicContact CB-CE2 4.33Å; D40-K178 IonicContact OD1-NZ 3.86Å; D40-K178 WeakPolarHBondContact OD2-CE 3.44Å; D40-K178 IonicContact OD2-NZ 2.79Å; D40-K178 PolarHBondContact OD2-NZ 3.28Å
41L96.8Very high90Very high2 Ų239.7 Ų39.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-119.7150.8176.5-55.9174.6000111.3F29 V30 Y43 I53 L55 I118 R119 I150F29-L41 WeakPolarHBondContact CA-O 3.39Å; V30-L41 HydrophobicContact CG1-CB 3.77Å; V30-L41 HydrophobicContact CG1-CG 4.31Å; V30-L41 PolarHBondContact N-O 3.48Å; V30-L41 PolarHBondContact O-N 2.98Å; V30-L41 VanDerWaalsContact O-N 3.14Å; L41-Y43 HydrophobicContact CB-CE2 4.23Å; L41-I53 HydrophobicContact CD1-CG2 4.37Å; L41-L55 HydrophobicContact CD2-CD2 3.78Å; L41-I118 HydrophobicContact CD1-CG2 4.17Å; L41-I118 HydrophobicContact CD2-CG2 4Å; L41-R119 WeakPolarHBondContact CD1-O 3.14Å; L41-I150 HydrophobicContact CD2-CD1 4.42Å
42C96.9Very high90.2Very high0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-110.7139.7172.9-175.60000109.9Y28 F29 C54 A56Y28-C42 CarbonylContact O-C 3.44Å; Y28-C42 WeakPolarHBondContact O-CA 3.31Å; F29-C42 HydrophobicContact CD1-CB 3.81Å; F29-C42 HydrophobicContact CE1-CB 3.55Å; F29-C42 WeakPolarHBondContact CE1-SG 3.43Å; F29-C42 HydrophobicContact CZ-CB 4.28Å; F29-C42 VanDerWaalsContact CZ-SG 3.52Å; C42-C54 PolarHBondContact N-O 3.34Å; C42-C54 PolarHBondContact O-N 3.07Å; C42-A56 HydrophobicContact CB-CB 4.41Å
43Y97.2Very high90.7Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-118.7116.2177.6-61.4-86.6000108.6K27 Y28 V30 L41 V52 I53 A120 G121 V122 F162 L168K27-Y43 WeakPolarHBondContact CA-O 3.29Å; Y28-Y43 PolarHBondContact N-O 2.73Å; Y28-Y43 PolarHBondContact O-N 3.26Å; V30-Y43 HydrophobicContact CB-CE2 4.02Å; V30-Y43 HydrophobicContact CG1-CE2 3.73Å; L41-Y43 HydrophobicContact CB-CE2 4.23Å; Y43-V52 CarbonylContact C-O 3.48Å; Y43-V52 WeakPolarHBondContact CA-O 3.29Å; Y43-I53 HydrophobicContact CD1-CD1 4.49Å; Y43-I53 HydrophobicContact CD1-CG1 3.89Å; Y43-I53 HydrophobicContact CE1-CD1 4.01Å; Y43-I53 HydrophobicContact CE1-CG1 3.84Å; Y43-I53 HydrophobicContact CE1-CG2 4.13Å; Y43-A120 WeakPolarHBondContact CE1-O 3.44Å; Y43-A120 PolarHBondContact OH-O 3.45Å; Y43-G121 WeakPolarHBondContact OH-CA 3.27Å; Y43-V122 HydrophobicContact CD1-CG1 4.2Å; Y43-V122 HydrophobicContact CE1-CB 4.47Å; Y43-V122 HydrophobicContact CE1-CG1 3.64Å; Y43-V122 HydrophobicContact CE1-CG2 3.97Å; Y43-V122 HydrophobicContact CE2-CG1 4.31Å; Y43-F162 HydrophobicContact CD1-CZ 4.18Å; Y43-F162 HydrophobicContact CG-CE1 4.46Å; Y43-F162 HydrophobicContact CG-CZ 4.33Å; Y43-L168 HydrophobicContact CD2-CD1 3.89Å; Y43-L168 HydrophobicContact CD2-CD2 3.92Å; Y43-L168 HydrophobicContact CE2-CD1 4.39Å; Y43-L168 HydrophobicContact CE2-CD2 3.69Å; Y43-L168 HydrophobicContact CG-CD1 4.18Å
44L95.7Very high91.6Very high0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-97.297.1176.4-47.9175.7000108.3Y25 K27 H46 C51 V52 E145 W146Y25-L44 HydrophobicContact CD1-CB 3.71Å; Y25-L44 HydrophobicContact CE1-CB 4.44Å; Y25-L44 HydrophobicContact CG-CB 4.32Å; K27-L44 HydrophobicContact CB-CD2 4.32Å; K27-L44 HydrophobicContact CD-CD2 3.82Å; K27-L44 HydrophobicContact CG-CD2 3.58Å; L44-H46 PolarHBondContact O-N 3.21Å; L44-C51 VanDerWaalsContact O-CA 3.3Å; L44-C51 WeakPolarHBondContact O-CA 2.99Å; L44-V52 HydrophobicContact CB-CB 4.13Å; L44-V52 HydrophobicContact CD1-CB 4.39Å; L44-V52 PolarHBondContact N-O 3.1Å; L44-V52 PolarHBondContact O-N 3.1Å; L44-E145 HydrophobicContact CD1-CB 4.17Å; L44-W146 HydrophobicContact CD1-CE3 4.21Å; L44-W146 HydrophobicContact CD1-CH2 3.9Å; L44-W146 HydrophobicContact CD1-CZ3 3.65Å
45L95.7Very high92.6Very high4 Ų431.1 Ų31.12%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-86.1112.3-179.4-176.865.3000110.5Y25 T26 Y28 C51 P155 R159 F162Y25-L45 WeakPolarHBondContact CA-O 3.24Å; T26-L45 PolarHBondContact N-O 3.09Å; T26-L45 PolarHBondContact O-N 2.98Å; Y28-L45 HydrophobicContact CD2-CB 4.18Å; Y28-L45 HydrophobicContact CE2-CB 4.03Å; Y28-L45 HydrophobicContact CE2-CD2 3.84Å; L45-C51 HydrophobicContact CD1-CB 3.93Å; L45-P155 HydrophobicContact CD1-CG 4.24Å; L45-R159 HydrophobicContact CD1-CG 4.34Å; L45-R159 HydrophobicContact CD2-CB 4.48Å; L45-R159 HydrophobicContact CD2-CG 3.45Å; L45-R159 VanDerWaalsContact CD2-CG 3.45Å; L45-R159 HydrophobicContact CG-CG 3.95Å; L45-F162 HydrophobicContact CB-CD1 4.47Å; L45-F162 HydrophobicContact CD1-CD1 4.29Å; L45-F162 HydrophobicContact CD2-CB 4.12Å; L45-F162 HydrophobicContact CD2-CD1 3.84Å; L45-F162 HydrophobicContact CD2-CG 4.29Å; L45-F162 HydrophobicContact CG-CD1 4.44Å
46H93.1Very high93.4Very high29 Ų2927.8 Ų27.813%0.13413%0.132CC..EExtended strand (participates in β ladder)trans-75.9157.4176.8-167.1-113.8000112F24 Y25 L44 N48 G49 V50F24-H46 VanDerWaalsContact CB-CD2 3.45Å; F24-H46 WeakPolarHBondContact CB-CD2 3.35Å; F24-H46 WeakPolarHBondContact CB-NE2 3.23Å; F24-H46 AromaticContact CG-NE2 3.95Å; F24-H46 CarbonylContact O-C 3.34Å; F24-H46 WeakPolarHBondContact O-CA 3.14Å; Y25-H46 HydrophobicContact CD1-CB 3.83Å; Y25-H46 AromaticContact CD2-CD2 3.87Å; Y25-H46 HydrophobicContact CE1-CB 3.54Å; Y25-H46 AromaticContact CE1-CD2 3.83Å; Y25-H46 AromaticContact CE1-CG 3.98Å; Y25-H46 AromaticContact CE2-CD2 3.51Å; Y25-H46 AromaticContact CZ-CD2 3.5Å; Y25-H46 VanDerWaalsContact CZ-CD2 3.5Å; Y25-H46 AromaticContact CZ-CG 3.98Å; L44-H46 PolarHBondContact O-N 3.21Å; H46-N48 WeakPolarHBondContact CB-OD1 3.47Å; H46-N48 PolarHBondContact ND1-N 3.08Å; H46-N48 PolarHBondContact ND1-ND2 3.31Å; H46-N48 PolarHBondContact ND1-OD1 3.29Å; H46-N48 PolarHBondContact O-N 2.73Å; H46-N48 VanDerWaalsContact O-N 3.15Å; H46-G49 PolarHBondContact O-N 3.28Å; H46-V50 WeakPolarHBondContact CB-O 3.43Å; H46-V50 PolarHBondContact N-O 3.49Å
47N90.3Very high93.9Very high73 Ų7324.7 Ų24.739%0.3913%0.131SC..THydrogen-bonded Turntrans-58.1-29179.269.27.9000113.7F24 G49 R159F24-N47 VanDerWaalsContact CD1-ND2 3.25Å; F24-N47 WeakPolarHBondContact CD1-ND2 3.46Å; F24-N47 PolarHBondContact O-N 2.87Å; N47-G49 VanDerWaalsContact C-N 3.26Å; N47-G49 PolarHBondContact O-N 3.17Å; N47-R159 PolarHBondContact O-NH1 3.29Å
48N89.4Confident94.3Very high53 Ų5317.6 Ų17.628%0.28310%0.102SC..THydrogen-bonded Turntrans-80.3-4.7178.870.66.4000113.3I9 H46 V50I9-N48 VanDerWaalsContact CG2-ND2 3.26Å; I9-N48 WeakPolarHBondContact CG2-ND2 3.49Å; H46-N48 WeakPolarHBondContact CB-OD1 3.47Å; H46-N48 PolarHBondContact ND1-N 3.08Å; H46-N48 PolarHBondContact ND1-ND2 3.31Å; H46-N48 PolarHBondContact ND1-OD1 3.29Å; H46-N48 PolarHBondContact O-N 2.73Å; H46-N48 VanDerWaalsContact O-N 3.15Å; N48-V50 WeakPolarHBondContact OD1-CB 3.33Å; N48-V50 PolarHBondContact OD1-N 3.42Å
49G91Very high94.7Very high15 Ų1515.2 Ų15.216%0.1559%0.09CC..SBendtrans89.72.5179.100000115.4H46 N47 P155H46-G49 PolarHBondContact O-N 3.28Å; N47-G49 VanDerWaalsContact C-N 3.26Å; N47-G49 PolarHBondContact O-N 3.17Å; G49-P155 WeakPolarHBondContact O-CD 3.05Å
50V92.7Very high94.8Very high15 Ų1515 Ų159%0.0919%0.09CC..  trans-75.3145.6165.4176.50000109P5 H46 N48 I127 I152P5-V50 HydrophobicContact CG-CG2 3.94Å; H46-V50 WeakPolarHBondContact CB-O 3.43Å; H46-V50 PolarHBondContact N-O 3.49Å; N48-V50 WeakPolarHBondContact OD1-CB 3.33Å; N48-V50 PolarHBondContact OD1-N 3.42Å; V50-I127 HydrophobicContact CG1-CD1 4.05Å; V50-I127 HydrophobicContact CG2-CD1 3.99Å; V50-I152 HydrophobicContact CG1-CG2 3.23Å
51C95.1Very high94.8Very high0 Ų015 Ų150%09%0.09CC..EExtended strand (participates in β ladder)trans-129.2134179.6179.10000110.5L44 L45 I153 P155L44-C51 VanDerWaalsContact O-CA 3.3Å; L44-C51 WeakPolarHBondContact O-CA 2.99Å; L45-C51 HydrophobicContact CD1-CB 3.93Å; C51-I153 HydrophobicContact CB-CD1 4.21Å; C51-I153 HydrophobicContact CB-CG1 3.88Å; C51-I153 PolarHBondContact N-O 3.29Å; C51-I153 VanDerWaalsContact O-CG1 3.25Å; C51-I153 WeakPolarHBondContact O-CG1 3.4Å; C51-I153 PolarHBondContact O-N 2.79Å; C51-P155 HydrophobicContact CB-CG 3.84Å
52V96Very high94.8Very high8 Ų815.7 Ų15.75%0.0489%0.094CC..EExtended strand (participates in β ladder)trans-99.1132.1175.3-177.30000108.5Y25 Y43 L44 H149 I152Y25-V52 HydrophobicContact CE1-CG2 4.18Å; Y43-V52 CarbonylContact C-O 3.48Å; Y43-V52 WeakPolarHBondContact CA-O 3.29Å; L44-V52 HydrophobicContact CB-CB 4.13Å; L44-V52 HydrophobicContact CD1-CB 4.39Å; L44-V52 PolarHBondContact N-O 3.1Å; L44-V52 PolarHBondContact O-N 3.1Å; V52-H149 HydrophobicContact CG1-CB 3.45Å; V52-H149 VanDerWaalsContact CG1-CB 3.45Å; V52-I152 HydrophobicContact CG2-CG1 4.48Å
53I96.9Very high94.6Very high0 Ų018.6 Ų18.60%012%0.115CC..EExtended strand (participates in β ladder)trans-100127.5174.9-51.8-179000108.4L41 Y43 L105 I150 A151 I153L41-I53 HydrophobicContact CD1-CG2 4.37Å; Y43-I53 HydrophobicContact CD1-CD1 4.49Å; Y43-I53 HydrophobicContact CD1-CG1 3.89Å; Y43-I53 HydrophobicContact CE1-CD1 4.01Å; Y43-I53 HydrophobicContact CE1-CG1 3.84Å; Y43-I53 HydrophobicContact CE1-CG2 4.13Å; I53-L105 HydrophobicContact CD1-CD1 3.84Å; I53-L105 HydrophobicContact CG2-CD1 4.19Å; I53-I150 PolarHBondContact O-N 3.4Å; I53-A151 PolarHBondContact N-O 2.85Å; I53-A151 PolarHBondContact O-N 3.21Å; I53-I153 HydrophobicContact CD1-CD1 3.85Å; I53-I153 HydrophobicContact CD1-CG1 4.06Å; I53-I153 HydrophobicContact CD1-CG2 3.73Å; I53-I153 HydrophobicContact CG1-CD1 4.06Å; I53-I153 HydrophobicContact CG1-CG1 4.02Å; I53-I153 HydrophobicContact CG1-CG2 4.32Å
54C97Very high94.5Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-141.2166.4176.351.30000111.4C42 P144C42-C54 PolarHBondContact N-O 3.34Å; C42-C54 PolarHBondContact O-N 3.07Å; C54-P144 WeakPolarHBondContact CB-O 3.29Å
55L97.1Very high94.4Very high2 Ų229.1 Ų29.11%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-68.1138.8173.1-61-178.6000110.2L41 H59 L61 V62 I118 L140 P144 I150L41-L55 HydrophobicContact CD2-CD2 3.78Å; L55-H59 HydrophobicContact CB-CB 4.17Å; L55-L61 HydrophobicContact CD1-CB 3.83Å; L55-L61 HydrophobicContact CD1-CD1 3.89Å; L55-V62 HydrophobicContact CB-CG2 3.68Å; L55-V62 HydrophobicContact CD1-CG2 3.94Å; L55-V62 HydrophobicContact CG-CG2 4.49Å; L55-I118 HydrophobicContact CD2-CD1 3.91Å; L55-L140 HydrophobicContact CD1-CB 4.06Å; L55-L140 HydrophobicContact CD1-CD2 4.13Å; L55-L140 HydrophobicContact CG-CD2 4.39Å; L55-P144 HydrophobicContact CB-CB 4.26Å; L55-I150 HydrophobicContact CD2-CD1 3.74Å; L55-I150 HydrophobicContact CG-CD1 4.09Å
56A96.3Very high94.3Very high0 Ų034.6 Ų34.60%019%0.188CC..  trans-76.7158.9172.700000110.9F29 D40 C42 S58 H59F29-A56 HydrophobicContact CD1-CB 3.94Å; F29-A56 HydrophobicContact CE1-CB 4.19Å; D40-A56 HydrophobicContact CB-CB 3.64Å; D40-A56 WeakPolarHBondContact O-CB 3.42Å; D40-A56 PolarHBondContact O-N 3.46Å; C42-A56 HydrophobicContact CB-CB 4.41Å; A56-S58 PolarHBondContact O-N 2.79Å; A56-S58 VanDerWaalsContact O-N 3.13Å; A56-H59 WeakPolarHBondContact O-CB 3.14Å; A56-H59 PolarHBondContact O-N 3.1Å
57P93.7Very high94.3Very high75 Ų7538.4 Ų38.449%0.48721%0.213SC..THydrogen-bonded Turntrans-59.7-24.9-179.3-26.835.5000115.5H59P57-H59 VanDerWaalsContact C-N 3.35Å
58S94Very high94.5Very high22 Ų2235.6 Ų35.615%0.15420%0.198CC..THydrogen-bonded Turntrans-78.6-19.8177.159.90000112.8D40 A56 S63 Y174D40-S58 VanDerWaalsContact CB-OG 3.32Å; D40-S58 WeakPolarHBondContact CB-OG 3.44Å; D40-S58 VanDerWaalsContact CG-OG 3.22Å; D40-S58 PolarHBondContact OD2-OG 2.76Å; A56-S58 PolarHBondContact O-N 2.79Å; A56-S58 VanDerWaalsContact O-N 3.13Å; S58-S63 PolarHBondContact O-OG 2.95Å; S58-Y174 WeakPolarHBondContact CB-OH 3.39Å; S58-Y174 PolarHBondContact N-OH 2.89Å; S58-Y174 PolarHBondContact OG-OH 3.22Å
59H95.4Very high94.8Very high1 Ų138.7 Ų38.71%0.00521%0.209CC..SBendtrans-55.7132.6-172.6-169.3-72.9000110.4N38 D40 L55 A56 P57 L61 V62 S63 F116N38-H59 VanDerWaalsContact O-CA 3.28Å; N38-H59 WeakPolarHBondContact O-CA 3.43Å; D40-H59 PolarHBondContact O-CD2 2.85Å; L55-H59 HydrophobicContact CB-CB 4.17Å; A56-H59 WeakPolarHBondContact O-CB 3.14Å; A56-H59 PolarHBondContact O-N 3.1Å; P57-H59 VanDerWaalsContact C-N 3.35Å; H59-L61 VanDerWaalsContact C-N 3.25Å; H59-L61 PolarHBondContact ND1-N 3.16Å; H59-L61 PolarHBondContact O-N 2.77Å; H59-L61 VanDerWaalsContact O-N 3.12Å; H59-V62 HydrophobicContact CB-CG2 4.44Å; H59-V62 WeakPolarHBondContact O-CA 3.34Å; H59-V62 PolarHBondContact O-N 3.12Å; H59-S63 PolarHBondContact O-N 3.02Å; H59-S63 PolarHBondContact O-OG 3.47Å; H59-S63 VanDerWaalsContact O-OG 3.09Å; H59-F116 AromaticContact CE1-CD1 3.88Å
60P94.9Very high95.1Very high17 Ų1738.9 Ų38.911%0.1121%0.207CC..Hα-helixtrans-50.1-42.6-175.6-31.834.7000114N38 V62 S63 Q64 L68 F116N38-P60 WeakPolarHBondContact O-CD 3.39Å; P60-V62 PolarHBondContact O-N 3.23Å; P60-V62 VanDerWaalsContact O-N 3.16Å; P60-S63 WeakPolarHBondContact CA-OG 3.17Å; P60-Q64 WeakPolarHBondContact O-CA 3.34Å; P60-Q64 VanDerWaalsContact O-CB 3.29Å; P60-Q64 WeakPolarHBondContact O-CB 3.48Å; P60-Q64 PolarHBondContact O-N 2.98Å; P60-L68 HydrophobicContact CB-CD1 3.96Å; P60-F116 HydrophobicContact CB-CE1 3.79Å; P60-F116 HydrophobicContact CB-CZ 3.78Å; P60-F116 HydrophobicContact CG-CE1 3.98Å; P60-F116 HydrophobicContact CG-CZ 4.45Å
61L96.1Very high95.2Very high0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-56.4-28.6174.5-68174.3000114.3L55 H59 V70 V108 F116 Q141L55-L61 HydrophobicContact CD1-CB 3.83Å; L55-L61 HydrophobicContact CD1-CD1 3.89Å; H59-L61 VanDerWaalsContact C-N 3.25Å; H59-L61 PolarHBondContact ND1-N 3.16Å; H59-L61 PolarHBondContact O-N 2.77Å; H59-L61 VanDerWaalsContact O-N 3.12Å; L61-V70 HydrophobicContact CD2-CG2 3.96Å; L61-V108 HydrophobicContact CD1-CB 4.13Å; L61-V108 HydrophobicContact CD1-CG1 3.91Å; L61-V108 HydrophobicContact CD1-CG2 4.21Å; L61-V108 HydrophobicContact CD2-CG1 4.25Å; L61-F116 HydrophobicContact CD1-CB 4.31Å; L61-F116 HydrophobicContact CD1-CD2 4.07Å; L61-F116 HydrophobicContact CD1-CG 4.19Å; L61-F116 HydrophobicContact CD2-CD2 3.61Å; L61-F116 HydrophobicContact CD2-CE2 3.6Å; L61-F116 HydrophobicContact CD2-CG 4.47Å; L61-F116 HydrophobicContact CD2-CZ 4.46Å; L61-F116 HydrophobicContact CG-CD2 3.78Å; L61-F116 HydrophobicContact CG-CE2 3.94Å; L61-F116 HydrophobicContact CG-CG 4.18Å; L61-F116 HydrophobicContact CG-CZ 4.47Å; L61-Q141 VanDerWaalsContact O-CG 3.23Å; L61-Q141 WeakPolarHBondContact O-CG 3.14Å; L61-Q141 PolarHBondContact O-NE2 2.79Å
62V95.9Very high95.3Very high15 Ų1548.5 Ų48.59%0.09125%0.254CS..Hα-helixtrans-96.1-47179.5-1780000111.1L55 H59 P60 P144L55-V62 HydrophobicContact CB-CG2 3.68Å; L55-V62 HydrophobicContact CD1-CG2 3.94Å; L55-V62 HydrophobicContact CG-CG2 4.49Å; H59-V62 HydrophobicContact CB-CG2 4.44Å; H59-V62 WeakPolarHBondContact O-CA 3.34Å; H59-V62 PolarHBondContact O-N 3.12Å; P60-V62 PolarHBondContact O-N 3.23Å; P60-V62 VanDerWaalsContact O-N 3.16Å; V62-P144 HydrophobicContact CG1-CG 4.44Å; V62-P144 HydrophobicContact CG2-CB 4.29Å; V62-P144 HydrophobicContact CG2-CG 4.32Å
63S94.1Very high95.4Very high61 Ų6148.1 Ų48.143%0.42725%0.252SS..Hα-helixtrans-73-29.1-176.258.70000113.1S58 H59 P60S58-S63 PolarHBondContact O-OG 2.95Å; H59-S63 PolarHBondContact O-N 3.02Å; H59-S63 PolarHBondContact O-OG 3.47Å; H59-S63 VanDerWaalsContact O-OG 3.09Å; P60-S63 WeakPolarHBondContact CA-OG 3.17Å
64Q94.2Very high95.4Very high100 Ų10051.2 Ų51.247%0.46727%0.268SS..THydrogen-bonded Turntrans-113.430.8178.4-53.5178.2-2.400111.8P60 D66 V67 L68P60-Q64 WeakPolarHBondContact O-CA 3.34Å; P60-Q64 VanDerWaalsContact O-CB 3.29Å; P60-Q64 WeakPolarHBondContact O-CB 3.48Å; P60-Q64 PolarHBondContact O-N 2.98Å; Q64-D66 PolarHBondContact O-N 2.88Å; Q64-V67 PolarHBondContact O-N 2.95Å; Q64-L68 HydrophobicContact CB-CD1 4.13Å; Q64-L68 HydrophobicContact CB-CG 4.31Å; Q64-L68 PolarHBondContact O-N 2.83Å
65R93.4Very high95.4Very high122 Ų12251.3 Ų51.346%0.4627%0.268SS..THydrogen-bonded Turntrans-57.1-21.7-177.567.7178.1-176.6-84.6-6.7114.8V67 Q141R65-V67 VanDerWaalsContact C-N 3.31Å; R65-Q141 HydrophobicContact CB-CB 3.96Å
66D92.8Very high95.3Very high119 Ų11954.6 Ų54.664%0.63628%0.284SS*.THydrogen-bonded Turntrans-81.6-12.8178.5-55.3-43.3000112.6Q64 F69Q64-D66 PolarHBondContact O-N 2.88Å; D66-F69 WeakPolarHBondContact O-CZ 3.5Å
67V94Very high95.2Very high109 Ų10955.3 Ų55.366%0.66129%0.288SS*.THydrogen-bonded Turntrans-117.3-39.6-177.5-174.50000111.5Q64 R65Q64-V67 PolarHBondContact O-N 2.95Å; R65-V67 VanDerWaalsContact C-N 3.31Å
68L94.6Very high95Very high13 Ų1360.4 Ų60.47%0.06830%0.298CS..  trans-93.1108.8178-67.6176000109.7P60 Q64 F116 Q141P60-L68 HydrophobicContact CB-CD1 3.96Å; Q64-L68 HydrophobicContact CB-CD1 4.13Å; Q64-L68 HydrophobicContact CB-CG 4.31Å; Q64-L68 PolarHBondContact O-N 2.83Å; L68-F116 HydrophobicContact CD1-CE2 4.05Å; L68-F116 HydrophobicContact CD1-CZ 3.84Å; L68-Q141 PolarHBondContact O-NE2 3.34Å
69F95.9Very high94.7Very high119 Ų11967.1 Ų67.152%0.52233%0.332SS..  trans-99.3120175-60-76.4000110.3D66 Q71 C110 V111D66-F69 WeakPolarHBondContact O-CZ 3.5Å; F69-Q71 PolarHBondContact O-N 2.83Å; F69-C110 CarbonylContact O-C 3.58Å; F69-C110 WeakPolarHBondContact O-CA 3.45Å; F69-C110 WeakPolarHBondContact O-CB 3.35Å; F69-V111 HydrophobicContact CB-CB 4.37Å; F69-V111 HydrophobicContact CB-CG2 3.97Å; F69-V111 PolarHBondContact O-N 2.93Å
70V96.8Very high94.4Very high19 Ų1976.7 Ų76.712%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-68.7122.6177.5178.20000109.8L61 V73 V108 Q141L61-V70 HydrophobicContact CD2-CG2 3.96Å; V70-V73 HydrophobicContact CG1-CG2 3.91Å; V70-V108 HydrophobicContact CB-CG1 4.4Å; V70-V108 HydrophobicContact CG1-CG1 3.67Å; V70-V108 HydrophobicContact CG2-CG1 3.93Å; V70-Q141 HydrophobicContact CG2-CG 4.13Å
71Q96.2Very high94.1Very high134 Ų13477.9 Ų77.963%0.62638%0.38SS*.EExtended strand (participates in β ladder)trans-96.3-42.4176.8-173.4-17936.700111.6F69 T109 V111F69-Q71 PolarHBondContact O-N 2.83Å; Q71-T109 WeakPolarHBondContact CA-O 3.42Å; Q71-T109 WeakPolarHBondContact CB-O 3.36Å; Q71-T109 PolarHBondContact N-O 3.29Å; Q71-V111 HydrophobicContact CB-CG2 3.95Å; Q71-V111 HydrophobicContact CG-CG2 4.43Å
72N96.5Very high94Very high82 Ų8279 Ų7944%0.43939%0.386SS..EExtended strand (participates in β ladder)trans-149.1145.1-175.4-169.1-1.3000111.3V108 T109N72-V108 WeakPolarHBondContact O-CA 3.44Å; N72-T109 PolarHBondContact N-O 2.84Å; N72-T109 VanDerWaalsContact N-O 3.13Å; N72-T109 PolarHBondContact O-N 3.12Å
73V97.5Very high93.9Very high1 Ų179.1 Ų79.11%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-123.2116.1169.9-177.30000108.8V70 F75 C106 R107 V108 I133 L140V70-V73 HydrophobicContact CG1-CG2 3.91Å; V73-F75 HydrophobicContact CG1-CD2 4.5Å; V73-F75 HydrophobicContact CG1-CE2 4.08Å; V73-F75 HydrophobicContact CG1-CZ 4.42Å; V73-C106 HydrophobicContact CG1-CB 4.01Å; V73-R107 CarbonylContact C-O 3.53Å; V73-R107 WeakPolarHBondContact CA-O 3.4Å; V73-V108 HydrophobicContact CG1-CG2 4.43Å; V73-V108 HydrophobicContact CG2-CG1 4.33Å; V73-V108 HydrophobicContact CG2-CG2 4.31Å; V73-I133 HydrophobicContact CG1-CD1 4Å; V73-I133 HydrophobicContact CG1-CG1 4.25Å; V73-I133 VanDerWaalsContact CG2-O 3.29Å; V73-I133 WeakPolarHBondContact CG2-O 3.49Å; V73-L140 HydrophobicContact CG2-CD1 3.65Å
74N96.7Very high93.8Very high65 Ų6578.7 Ų78.735%0.34838%0.377SS..EExtended strand (participates in β ladder)trans-109.7120-176.5-171.2-0.9000111.8Q76 C106 R107N74-Q76 VanDerWaalsContact OD1-CB 3.24Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.41Å; N74-Q76 PolarHBondContact OD1-N 3.01Å; N74-C106 CarbonylContact O-C 3.54Å; N74-C106 WeakPolarHBondContact O-CA 3.4Å; N74-C106 WeakPolarHBondContact O-CB 3.39Å; N74-R107 PolarHBondContact N-O 3.35Å; N74-R107 PolarHBondContact O-N 2.89Å
75F96.7Very high93.5Very high1 Ų180.7 Ų80.70%0.00439%0.387CS..  trans-94-3.9175.7-72.2-79.5000114.2V73 V77 N82 R83 L84 L105 C106 A129 N130 I133 Q134V73-F75 HydrophobicContact CG1-CD2 4.5Å; V73-F75 HydrophobicContact CG1-CE2 4.08Å; V73-F75 HydrophobicContact CG1-CZ 4.42Å; F75-V77 PolarHBondContact O-N 2.98Å; F75-N82 WeakPolarHBondContact O-CA 3.28Å; F75-R83 HydrophobicContact CB-CB 4.22Å; F75-R83 HydrophobicContact CD1-CB 3.91Å; F75-R83 PolarHBondContact O-N 3.28Å; F75-L84 HydrophobicContact CB-CD1 4.05Å; F75-L84 HydrophobicContact CB-CG 3.82Å; F75-L84 HydrophobicContact CD2-CD1 3.64Å; F75-L84 HydrophobicContact CD2-CD2 4Å; F75-L84 HydrophobicContact CD2-CG 3.74Å; F75-L84 HydrophobicContact CE2-CD1 4.35Å; F75-L84 HydrophobicContact CE2-CD2 4.11Å; F75-L84 HydrophobicContact CE2-CG 4.36Å; F75-L84 HydrophobicContact CG-CD1 4.1Å; F75-L84 HydrophobicContact CG-CD2 4.27Å; F75-L84 HydrophobicContact CG-CG 3.81Å; F75-L84 HydrophobicContact CZ-CD2 4.49Å; F75-L105 WeakPolarHBondContact CD1-O 3.25Å; F75-C106 HydrophobicContact CD1-CB 3.72Å; F75-C106 HydrophobicContact CE1-CB 3.86Å; F75-C106 HydrophobicContact CG-CB 4.26Å; F75-C106 HydrophobicContact CZ-CB 4.49Å; F75-A129 HydrophobicContact CD1-CB 4.02Å; F75-A129 HydrophobicContact CE1-CB 3.8Å; F75-A129 HydrophobicContact CZ-CB 4.4Å; F75-N130 VanDerWaalsContact CE2-O 3.29Å; F75-N130 WeakPolarHBondContact CE2-O 3.32Å; F75-N130 VanDerWaalsContact CZ-O 3.24Å; F75-N130 WeakPolarHBondContact CZ-O 3.41Å; F75-I133 HydrophobicContact CE2-CD1 4.29Å; F75-I133 HydrophobicContact CE2-CG1 3.95Å; F75-I133 HydrophobicContact CZ-CD1 3.67Å; F75-I133 HydrophobicContact CZ-CG1 3.72Å; F75-Q134 HydrophobicContact CD2-CB 4.19Å; F75-Q134 HydrophobicContact CE2-CB 4.06Å
76Q95.7Very high92.8Very high72 Ų7276 Ų7634%0.33637%0.371SS..EExtended strand (participates in β ladder)trans-76.696.2169.1-168.87434.100109N74 R78 D79 N82N74-Q76 VanDerWaalsContact OD1-CB 3.24Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.41Å; N74-Q76 PolarHBondContact OD1-N 3.01Å; Q76-R78 PolarHBondContact NE2-O 3.17Å; Q76-D79 PolarHBondContact NE2-O 2.99Å; Q76-N82 VanDerWaalsContact OE1-CB 3.32Å; Q76-N82 PolarHBondContact OE1-ND2 2.98Å
77V93.4Very high91.6Very high14 Ų1473 Ų739%0.08536%0.363CS..EExtended strand (participates in β ladder)trans-94.3-21.7-173.1-62.30000113.6F75 V81 R83 I104 L105F75-V77 PolarHBondContact O-N 2.98Å; V77-V81 HydrophobicContact CG2-CB 3.98Å; V77-V81 HydrophobicContact CG2-CG1 3.7Å; V77-V81 WeakPolarHBondContact CG2-O 3.19Å; V77-V81 PolarHBondContact N-O 3.44Å; V77-R83 HydrophobicContact CG1-CG 4.33Å; V77-R83 HydrophobicContact CG2-CG 4.49Å; V77-I104 HydrophobicContact CB-CB 4.01Å; V77-I104 HydrophobicContact CB-CG2 4.08Å; V77-I104 HydrophobicContact CG1-CB 3.87Å; V77-I104 HydrophobicContact CG1-CG2 3.51Å; V77-L105 WeakPolarHBondContact CG1-O 3.34Å
78R91.1Very high90.2Very high183 Ų18370.1 Ų70.169%0.69135%0.345SS*.EExtended strand (participates in β ladder)trans-152.4164.3173.4-61.9-174.1178.7-178.5-0.5108.9Q76 K80 V81Q76-R78 PolarHBondContact NE2-O 3.17Å; R78-K80 PolarHBondContact O-N 3.01Å; R78-V81 HydrophobicContact CB-CB 4.2Å; R78-V81 HydrophobicContact CB-CG2 4.29Å; R78-V81 PolarHBondContact N-O 2.75Å; R78-V81 PolarHBondContact O-N 3.39Å
79D87Confident88.5Confident162 Ų16277 Ų7787%0.86638%0.375SS*.THydrogen-bonded Turntrans-51-35.3-176.8-57.6-22000114.8Q76Q76-D79 PolarHBondContact NE2-O 2.99Å
80K88.2Confident86.5Confident203 Ų20374.2 Ų74.288%0.88338%0.379SS*.THydrogen-bonded Turntrans-110.211.7-178.2-59.5-175.1-178.9-179.70113.8R78R78-K80 PolarHBondContact O-N 3.01Å
81V90.4Very high84.7Confident42 Ų4282.9 Ų82.926%0.25542%0.416SS..EExtended strand (participates in β ladder)trans-134.697.9-174.6-172.20000109.8V77 R78V77-V81 HydrophobicContact CG2-CB 3.98Å; V77-V81 HydrophobicContact CG2-CG1 3.7Å; V77-V81 WeakPolarHBondContact CG2-O 3.19Å; V77-V81 PolarHBondContact N-O 3.44Å; R78-V81 HydrophobicContact CB-CB 4.2Å; R78-V81 HydrophobicContact CB-CG2 4.29Å; R78-V81 PolarHBondContact N-O 2.75Å; R78-V81 PolarHBondContact O-N 3.39Å
82N93.3Very high83Confident24 Ų2481.9 Ų81.913%0.12841%0.409CS..EExtended strand (participates in β ladder)trans-100.5127.9162.5-168.8-24.2000108.9F75 Q76 L84 E85 Q97F75-N82 WeakPolarHBondContact O-CA 3.28Å; Q76-N82 VanDerWaalsContact OE1-CB 3.32Å; Q76-N82 PolarHBondContact OE1-ND2 2.98Å; N82-L84 VanDerWaalsContact C-N 3.29Å; N82-L84 PolarHBondContact O-N 3.48Å; N82-L84 WeakPolarHBondContact OD1-CB 3.45Å; N82-L84 PolarHBondContact OD1-N 2.8Å; N82-E85 HydrophobicContact CB-CB 4.06Å; N82-E85 HydrophobicContact CB-CG 3.88Å; N82-E85 PolarHBondContact O-N 2.86Å; N82-Q97 PolarHBondContact O-NE2 2.96Å
83R94.1Very high81.6Confident17 Ų1779.2 Ų79.26%0.06439%0.394CS..SBendtrans-72-22.9179-60.6-48.3-167.6172.41.3113.5F75 V77 E85 L99 I104 L105 L126 A129F75-R83 HydrophobicContact CB-CB 4.22Å; F75-R83 HydrophobicContact CD1-CB 3.91Å; F75-R83 PolarHBondContact O-N 3.28Å; V77-R83 HydrophobicContact CG1-CG 4.33Å; V77-R83 HydrophobicContact CG2-CG 4.49Å; R83-E85 VanDerWaalsContact C-N 3.34Å; R83-L99 VanDerWaalsContact CZ-CD2 3.45Å; R83-I104 PolarHBondContact NE-O 3.37Å; R83-I104 PolarHBondContact NH2-O 2.78Å; R83-L105 WeakPolarHBondContact CG-O 3.27Å; R83-L126 HydrophobicContact CB-CD2 4.01Å; R83-L126 HydrophobicContact CG-CD2 4.45Å; R83-A129 HydrophobicContact CB-CB 3.91Å; R83-A129 WeakPolarHBondContact O-CB 3.37Å
84L91.3Very high79.9Confident51 Ų5187.4 Ų87.427%0.26743%0.429SS..SBendtrans-74.7-27.7174.5-65.5172.4000112F75 N82 N86 A129 A131F75-L84 HydrophobicContact CB-CD1 4.05Å; F75-L84 HydrophobicContact CB-CG 3.82Å; F75-L84 HydrophobicContact CD2-CD1 3.64Å; F75-L84 HydrophobicContact CD2-CD2 4Å; F75-L84 HydrophobicContact CD2-CG 3.74Å; F75-L84 HydrophobicContact CE2-CD1 4.35Å; F75-L84 HydrophobicContact CE2-CD2 4.11Å; F75-L84 HydrophobicContact CE2-CG 4.36Å; F75-L84 HydrophobicContact CG-CD1 4.1Å; F75-L84 HydrophobicContact CG-CD2 4.27Å; F75-L84 HydrophobicContact CG-CG 3.81Å; F75-L84 HydrophobicContact CZ-CD2 4.49Å; N82-L84 VanDerWaalsContact C-N 3.29Å; N82-L84 PolarHBondContact O-N 3.48Å; N82-L84 WeakPolarHBondContact OD1-CB 3.45Å; N82-L84 PolarHBondContact OD1-N 2.8Å; L84-N86 PolarHBondContact O-N 2.68Å; L84-A129 HydrophobicContact CD2-CB 3.94Å; L84-A129 WeakPolarHBondContact CD2-O 2.84Å; L84-A131 HydrophobicContact CD2-CB 3.93Å
85E87Confident78.8Confident142 Ų14288 Ų8866%0.66444%0.439SS*.  trans-84.243.7176.4-61.5175.4-169.600111.7N82 R83 A87N82-E85 HydrophobicContact CB-CB 4.06Å; N82-E85 HydrophobicContact CB-CG 3.88Å; N82-E85 PolarHBondContact O-N 2.86Å; R83-E85 VanDerWaalsContact C-N 3.34Å; E85-A87 PolarHBondContact O-N 2.96Å
86N79.8Confident78.1Confident23 Ų2388.2 Ų88.212%0.12344%0.44CS..  trans-86.497.7179.1-170.336.8000110.6L84 V88 Q97 L126 I127L84-N86 PolarHBondContact O-N 2.68Å; N86-V88 WeakPolarHBondContact ND2-CG2 3.22Å; N86-V88 PolarHBondContact O-N 3.14Å; N86-Q97 WeakPolarHBondContact OD1-CG 3.39Å; N86-Q97 PolarHBondContact OD1-N 3.09Å; N86-L126 HydrophobicContact CB-CD2 4.1Å; N86-L126 VanDerWaalsContact ND2-C 3.31Å; N86-L126 PolarHBondContact ND2-O 2.94Å; N86-I127 PolarHBondContact ND2-O 2.83Å
87A68Low77.9Confident57 Ų5786.6 Ų86.647%0.47143%0.433SS..  trans-75.784.6177.100000111.6E85 K89 S95E85-A87 PolarHBondContact O-N 2.96Å; A87-K89 PolarHBondContact O-N 2.93Å; A87-K89 VanDerWaalsContact O-N 3.13Å; A87-S95 VanDerWaalsContact O-CB 3.27Å; A87-S95 WeakPolarHBondContact O-CB 3.39Å
88V64.4Low77.9Confident48 Ų4891 Ų9129%0.29145%0.452SS..  trans-83.488175.9-170.70000110.4N86 K93 A96 I127N86-V88 WeakPolarHBondContact ND2-CG2 3.22Å; N86-V88 PolarHBondContact O-N 3.14Å; V88-K93 HydrophobicContact CG1-CB 3.76Å; V88-K93 HydrophobicContact CG1-CD 3.57Å; V88-K93 HydrophobicContact CG1-CG 3.46Å; V88-K93 VanDerWaalsContact CG1-CG 3.46Å; V88-A96 HydrophobicContact CG2-CB 4.3Å; V88-I127 WeakPolarHBondContact CG2-O 3.35Å
89K58.2Low78.1Confident158 Ų15882.5 Ų82.569%0.68742%0.421SS*.  trans-110.2143.9177.6-67.3-174.4179.1-179.20113.1A87A87-K89 PolarHBondContact O-N 2.93Å; A87-K89 VanDerWaalsContact O-N 3.13Å
90G54.2Low78.4Confident60 Ų6077.8 Ų77.862%0.61940%0.4SS*.THydrogen-bonded Turntrans82155.9172.500000115.2K92 K93G90-K92 PolarHBondContact O-N 3.49Å; G90-K93 PolarHBondContact O-N 2.83Å
91K58.5Low78.6Confident201 Ų20171.5 Ų71.587%0.87437%0.373SS*.THydrogen-bonded Turntrans-50.4-31.7-177-84.6-176.1176.9177.30114.2L4L4-K91 WeakPolarHBondContact CB-O 3.32Å; L4-K91 WeakPolarHBondContact CD1-O 3.41Å
92K61.2Low78.7Confident113 Ų11373.7 Ų73.749%0.49138%0.384SS..THydrogen-bonded Turntrans-90.8-1.1-178.9-72-172.2178.6178.30115L4 G90 K94L4-K92 VanDerWaalsContact CD1-CA 3.43Å; L4-K92 HydrophobicContact CD1-CB 4.42Å; L4-K92 HydrophobicContact CD1-CG 4.49Å; G90-K92 PolarHBondContact O-N 3.49Å; K92-K94 HydrophobicContact CB-CG 4.1Å; K92-K94 PolarHBondContact O-N 3.06Å; K92-K94 VanDerWaalsContact O-N 3.07Å
93K67Low78.8Confident27 Ų2773.5 Ų73.512%0.11738%0.384CS..THydrogen-bonded Turntrans46.139.2-173.3-58.2-172.4173.7-178.20111.4V88 G90 S95 A96 I127V88-K93 HydrophobicContact CG1-CB 3.76Å; V88-K93 HydrophobicContact CG1-CD 3.57Å; V88-K93 HydrophobicContact CG1-CG 3.46Å; V88-K93 VanDerWaalsContact CG1-CG 3.46Å; G90-K93 PolarHBondContact O-N 2.83Å; K93-S95 PolarHBondContact O-N 2.83Å; K93-A96 HydrophobicContact CB-CB 4.26Å; K93-A96 VanDerWaalsContact O-CB 3.25Å; K93-A96 WeakPolarHBondContact O-CB 3.22Å; K93-A96 PolarHBondContact O-N 2.99Å; K93-A96 VanDerWaalsContact O-N 3.12Å; K93-I127 HydrophobicContact CD-CG1 4.46Å
94K61.3Low78.9Confident172 Ų17274 Ų7475%0.74839%0.388SS*.THydrogen-bonded Turntrans-62.2-29.6-170.5-100.3-171.9174.4-171.80112K92K92-K94 HydrophobicContact CB-CG 4.1Å; K92-K94 PolarHBondContact O-N 3.06Å; K92-K94 VanDerWaalsContact O-N 3.07Å
95S74.2Confident79.1Confident78 Ų7871.7 Ų71.755%0.54538%0.376SS..THydrogen-bonded Turntrans-88.3-1.8-178.2-44.60000113.8A87 K93A87-S95 VanDerWaalsContact O-CB 3.27Å; A87-S95 WeakPolarHBondContact O-CB 3.39Å; K93-S95 PolarHBondContact O-N 2.83Å
96A82.5Confident79.6Confident5 Ų565 Ų654%0.04134%0.344CS..SBendtrans-64137.4178.500000110.9V88 K93 Q98 K125 L126V88-A96 HydrophobicContact CG2-CB 4.3Å; K93-A96 HydrophobicContact CB-CB 4.26Å; K93-A96 VanDerWaalsContact O-CB 3.25Å; K93-A96 WeakPolarHBondContact O-CB 3.22Å; K93-A96 PolarHBondContact O-N 2.99Å; K93-A96 VanDerWaalsContact O-N 3.12Å; A96-Q98 PolarHBondContact O-N 3.02Å; A96-Q98 PolarHBondContact O-NE2 2.82Å; A96-K125 HydrophobicContact CB-CB 4.2Å; A96-L126 WeakPolarHBondContact CB-O 3.35Å
97Q91.6Very high80.4Confident39 Ų3968.7 Ų68.718%0.18236%0.357CS..PPolyproline II helixtrans-58.2129.2175.3-65.4179.628.200110.2N82 N86 L126N82-Q97 PolarHBondContact O-NE2 2.96Å; N86-Q97 WeakPolarHBondContact OD1-CG 3.39Å; N86-Q97 PolarHBondContact OD1-N 3.09Å; Q97-L126 HydrophobicContact CB-CB 4.26Å; Q97-L126 HydrophobicContact CB-CD2 4.48Å; Q97-L126 PolarHBondContact O-N 2.89Å
98Q93Very high81.8Confident106 Ų10666 Ų6650%0.49533%0.334SS..EExtended strand (participates in β ladder)trans-81.3139.9174.9-55.8-58-64.400109.6A96A96-Q98 PolarHBondContact O-N 3.02Å; A96-Q98 PolarHBondContact O-NE2 2.82Å
99L94.9Very high83.4Confident5 Ų565.1 Ų65.13%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-115.5134.8176.7-59.4174.5000109.6R83 L105 A120 K123 A124 L126 I153R83-L99 VanDerWaalsContact CZ-CD2 3.45Å; L99-L105 HydrophobicContact CD1-CD2 3.91Å; L99-L105 HydrophobicContact CD2-CD2 4.06Å; L99-A120 HydrophobicContact CB-CB 4.07Å; L99-A120 HydrophobicContact CD1-CB 4.14Å; L99-A120 HydrophobicContact CG-CB 4.49Å; L99-K123 WeakPolarHBondContact O-CA 3.25Å; L99-A124 WeakPolarHBondContact CB-O 3.3Å; L99-A124 PolarHBondContact N-O 2.88Å; L99-A124 PolarHBondContact O-N 3.33Å; L99-A124 VanDerWaalsContact O-N 3.12Å; L99-L126 HydrophobicContact CD1-CB 4.08Å; L99-L126 HydrophobicContact CD1-CD1 4.3Å; L99-L126 HydrophobicContact CG-CB 4.29Å; L99-I153 HydrophobicContact CD1-CG2 3.69Å
100C93.8Very high85.2Confident63 Ų6357.6 Ų57.643%0.42630%0.296SS..  trans-107.3167.9165.6-630000109.4D102 S103 V122C100-D102 VanDerWaalsContact CB-OD1 3.3Å; C100-D102 WeakPolarHBondContact CB-OD1 3.13Å; C100-D102 PolarHBondContact O-N 2.79Å; C100-D102 VanDerWaalsContact O-N 3.12Å; C100-S103 PolarHBondContact N-OG 2.98Å; C100-S103 WeakPolarHBondContact O-CB 3.39Å; C100-S103 PolarHBondContact O-N 2.88Å; C100-S103 PolarHBondContact O-OG 3.13Å; C100-V122 CarbonylContact C-O 3.51Å
101H92.4Very high87.2Confident70 Ų7059.2 Ų59.232%0.32429%0.294SS..THydrogen-bonded Turntrans-51.1-40-179.8-6386.1000113.7G121 N166H101-G121 PolarHBondContact CD2-O 2.71Å; H101-G121 WeakPolarHBondContact O-CA 3.21Å; H101-G121 PolarHBondContact O-N 2.82Å; H101-N166 PolarHBondContact NE2-OD1 3.12Å
102D92.6Very high88.9Confident88 Ų8853.3 Ų53.347%0.47128%0.279SS..THydrogen-bonded Turntrans-85.8-6.4-178.269.1-38.3000114C100 I104 R119C100-D102 VanDerWaalsContact CB-OD1 3.3Å; C100-D102 WeakPolarHBondContact CB-OD1 3.13Å; C100-D102 PolarHBondContact O-N 2.79Å; C100-D102 VanDerWaalsContact O-N 3.12Å; D102-I104 PolarHBondContact O-N 3.01Å; D102-R119 PolarHBondContact O-NH1 3.06Å
103S94.6Very high90.5Very high21 Ų2150.5 Ų50.515%0.14728%0.282CS..  trans-63.1122.2-176.3-71.90000110.9C100 L105 R119 A120C100-S103 PolarHBondContact N-OG 2.98Å; C100-S103 WeakPolarHBondContact O-CB 3.39Å; C100-S103 PolarHBondContact O-N 2.88Å; C100-S103 PolarHBondContact O-OG 3.13Å; S103-L105 PolarHBondContact O-N 3.5Å; S103-R119 CarbonylContact O-C 3.53Å; S103-R119 VanDerWaalsContact O-CA 3.3Å; S103-R119 WeakPolarHBondContact O-CA 3.5Å; S103-A120 PolarHBondContact O-N 3.02Å
104I96.1Very high91.8Very high28 Ų2852.1 Ų52.114%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-69.9133.3176-54.3173.7000108.6V77 R83 D102 R107 T117 R119V77-I104 HydrophobicContact CB-CB 4.01Å; V77-I104 HydrophobicContact CB-CG2 4.08Å; V77-I104 HydrophobicContact CG1-CB 3.87Å; V77-I104 HydrophobicContact CG1-CG2 3.51Å; R83-I104 PolarHBondContact NE-O 3.37Å; R83-I104 PolarHBondContact NH2-O 2.78Å; D102-I104 PolarHBondContact O-N 3.01Å; I104-R107 HydrophobicContact CG2-CG 4.43Å; I104-T117 HydrophobicContact CB-CG2 4.38Å; I104-T117 HydrophobicContact CD1-CG2 3.84Å; I104-T117 HydrophobicContact CG1-CG2 3.79Å; I104-T117 HydrophobicContact CG2-CG2 3.74Å; I104-R119 HydrophobicContact CG1-CG 4.37Å
105L96.3Very high93.4Very high2 Ų249 Ų491%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-92.7-54.1172-66.7177.5000110.1I53 F75 V77 R83 L99 S103 I118 A120 I150 A151I53-L105 HydrophobicContact CD1-CD1 3.84Å; I53-L105 HydrophobicContact CG2-CD1 4.19Å; F75-L105 WeakPolarHBondContact CD1-O 3.25Å; V77-L105 WeakPolarHBondContact CG1-O 3.34Å; R83-L105 WeakPolarHBondContact CG-O 3.27Å; L99-L105 HydrophobicContact CD1-CD2 3.91Å; L99-L105 HydrophobicContact CD2-CD2 4.06Å; S103-L105 PolarHBondContact O-N 3.5Å; L105-I118 HydrophobicContact CD1-CG2 4.32Å; L105-I118 PolarHBondContact N-O 2.82Å; L105-A120 HydrophobicContact CD1-CB 4.4Å; L105-A120 HydrophobicContact CD2-CB 4.11Å; L105-A120 HydrophobicContact CG-CB 4.14Å; L105-I150 HydrophobicContact CB-CG2 4.11Å; L105-I150 HydrophobicContact CD1-CG2 4Å; L105-A151 HydrophobicContact CD1-CB 4.49Å; L105-A151 HydrophobicContact CD2-CB 4.47Å
106C97.1Very high94.5Very high0 Ų045.9 Ų45.90%026%0.259CS..EExtended strand (participates in β ladder)trans-154.2165.6176.961.10000110.8V73 N74 F75 I118V73-C106 HydrophobicContact CG1-CB 4.01Å; N74-C106 CarbonylContact O-C 3.54Å; N74-C106 WeakPolarHBondContact O-CA 3.4Å; N74-C106 WeakPolarHBondContact O-CB 3.39Å; F75-C106 HydrophobicContact CD1-CB 3.72Å; F75-C106 HydrophobicContact CE1-CB 3.86Å; F75-C106 HydrophobicContact CG-CB 4.26Å; F75-C106 HydrophobicContact CZ-CB 4.49Å; C106-I118 PolarHBondContact O-N 3.42Å
107R97.3Very high95.1Very high101 Ų10147.5 Ų47.538%0.38127%0.268SS..EExtended strand (participates in β ladder)trans-113.6134.9168.4-63.3-178.4180-146.22.8108.7V73 N74 I104 F116V73-R107 CarbonylContact C-O 3.53Å; V73-R107 WeakPolarHBondContact CA-O 3.4Å; N74-R107 PolarHBondContact N-O 3.35Å; N74-R107 PolarHBondContact O-N 2.89Å; I104-R107 HydrophobicContact CG2-CG 4.43Å; R107-F116 CarbonylContact C-O 3.58Å; R107-F116 WeakPolarHBondContact CA-O 3.25Å
108V97.5Very high95.3Very high0 Ų045.8 Ų45.80%026%0.26CS..EExtended strand (participates in β ladder)trans-114.5122.7179.5-174.40000108.1L61 V70 N72 V73 E115 F116 I118 L140L61-V108 HydrophobicContact CD1-CB 4.13Å; L61-V108 HydrophobicContact CD1-CG1 3.91Å; L61-V108 HydrophobicContact CD1-CG2 4.21Å; L61-V108 HydrophobicContact CD2-CG1 4.25Å; V70-V108 HydrophobicContact CB-CG1 4.4Å; V70-V108 HydrophobicContact CG1-CG1 3.67Å; V70-V108 HydrophobicContact CG2-CG1 3.93Å; N72-V108 WeakPolarHBondContact O-CA 3.44Å; V73-V108 HydrophobicContact CG1-CG2 4.43Å; V73-V108 HydrophobicContact CG2-CG1 4.33Å; V73-V108 HydrophobicContact CG2-CG2 4.31Å; V108-E115 CarbonylContact O-C 3.55Å; V108-E115 WeakPolarHBondContact O-CA 3.23Å; V108-F116 HydrophobicContact CB-CB 4.32Å; V108-F116 PolarHBondContact N-O 2.65Å; V108-F116 PolarHBondContact O-N 3.17Å; V108-I118 HydrophobicContact CG2-CG1 4.22Å; V108-L140 HydrophobicContact CG1-CD1 4.17Å; V108-L140 HydrophobicContact CG2-CD1 3.89Å
109T97.2Very high95.4Very high30 Ų3044.5 Ų44.518%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-108.5129.8176.6-52.70000108.6Q71 N72 E115Q71-T109 WeakPolarHBondContact CA-O 3.42Å; Q71-T109 WeakPolarHBondContact CB-O 3.36Å; Q71-T109 PolarHBondContact N-O 3.29Å; N72-T109 PolarHBondContact N-O 2.84Å; N72-T109 VanDerWaalsContact N-O 3.13Å; N72-T109 PolarHBondContact O-N 3.12Å; T109-E115 HydrophobicContact CG2-CG 4.22Å; T109-E115 PolarHBondContact OG1-OE1 3.22Å
110C96.9Very high95.4Very high0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-93.9158.8176.6-57.90000110.9F69 S112 G113 T114F69-C110 CarbonylContact O-C 3.58Å; F69-C110 WeakPolarHBondContact O-CA 3.45Å; F69-C110 WeakPolarHBondContact O-CB 3.35Å; C110-S112 PolarHBondContact O-N 3.25Å; C110-G113 WeakPolarHBondContact O-CA 3.37Å; C110-G113 PolarHBondContact O-N 2.99Å; C110-T114 WeakPolarHBondContact CB-O 3.42Å; C110-T114 PolarHBondContact N-O 3.22Å
111V96.1Very high95.4Very high94 Ų9441.8 Ų41.857%0.5723%0.234SC*.THydrogen-bonded Turntrans-58.3-30.2176.6176.70000112.1F69 Q71 G113F69-V111 HydrophobicContact CB-CB 4.37Å; F69-V111 HydrophobicContact CB-CG2 3.97Å; F69-V111 PolarHBondContact O-N 2.93Å; Q71-V111 HydrophobicContact CB-CG2 3.95Å; Q71-V111 HydrophobicContact CG-CG2 4.43Å; V111-G113 PolarHBondContact O-N 2.95Å
112S94.4Very high95.5Very high78 Ų7838.4 Ų38.455%0.54522%0.218SC..THydrogen-bonded Turntrans-67.3-8.4174590000114.3C110 T114C110-S112 PolarHBondContact O-N 3.25Å; S112-T114 VanDerWaalsContact C-N 3.3Å; S112-T114 WeakPolarHBondContact OG-CB 3.26Å; S112-T114 PolarHBondContact OG-N 3.15Å; S112-T114 PolarHBondContact OG-OG1 3.04Å
113G94.2Very high95.6Very high54 Ų5439.9 Ų39.956%0.55722%0.221SC*.SBendtrans84.1-1.8-169.300000114.1C110 V111C110-G113 WeakPolarHBondContact O-CA 3.37Å; C110-G113 PolarHBondContact O-N 2.99Å; V111-G113 PolarHBondContact O-N 2.95Å
114T94.7Very high95.7Very high61 Ų6138.9 Ų38.937%0.37421%0.214SC..  trans-68.1133.1175.1-500000110.6C110 S112 F116C110-T114 WeakPolarHBondContact CB-O 3.42Å; C110-T114 PolarHBondContact N-O 3.22Å; S112-T114 VanDerWaalsContact C-N 3.3Å; S112-T114 WeakPolarHBondContact OG-CB 3.26Å; S112-T114 PolarHBondContact OG-N 3.15Å; S112-T114 PolarHBondContact OG-OG1 3.04Å; T114-F116 HydrophobicContact CG2-CE2 3.77Å; T114-F116 HydrophobicContact CG2-CZ 3.92Å
115E95.2Very high95.6Very high105 Ų10540.5 Ų40.549%0.49122%0.22SC..EExtended strand (participates in β ladder)trans-116.1136.7179-62.2-163.9129.400112.4V108 T109V108-E115 CarbonylContact O-C 3.55Å; V108-E115 WeakPolarHBondContact O-CA 3.23Å; T109-E115 HydrophobicContact CG2-CG 4.22Å; T109-E115 PolarHBondContact OG1-OE1 3.22Å
116F95.9Very high95.5Very high14 Ų1440.5 Ų40.56%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-116.3132.5172.8-62.2-87.3000109.7E39 H59 P60 L61 L68 R107 V108 T114 I118E39-F116 HydrophobicContact CG-CD1 4.19Å; H59-F116 AromaticContact CE1-CD1 3.88Å; P60-F116 HydrophobicContact CB-CE1 3.79Å; P60-F116 HydrophobicContact CB-CZ 3.78Å; P60-F116 HydrophobicContact CG-CE1 3.98Å; P60-F116 HydrophobicContact CG-CZ 4.45Å; L61-F116 HydrophobicContact CD1-CB 4.31Å; L61-F116 HydrophobicContact CD1-CD2 4.07Å; L61-F116 HydrophobicContact CD1-CG 4.19Å; L61-F116 HydrophobicContact CD2-CD2 3.61Å; L61-F116 HydrophobicContact CD2-CE2 3.6Å; L61-F116 HydrophobicContact CD2-CG 4.47Å; L61-F116 HydrophobicContact CD2-CZ 4.46Å; L61-F116 HydrophobicContact CG-CD2 3.78Å; L61-F116 HydrophobicContact CG-CE2 3.94Å; L61-F116 HydrophobicContact CG-CG 4.18Å; L61-F116 HydrophobicContact CG-CZ 4.47Å; L68-F116 HydrophobicContact CD1-CE2 4.05Å; L68-F116 HydrophobicContact CD1-CZ 3.84Å; R107-F116 CarbonylContact C-O 3.58Å; R107-F116 WeakPolarHBondContact CA-O 3.25Å; V108-F116 HydrophobicContact CB-CB 4.32Å; V108-F116 PolarHBondContact N-O 2.65Å; V108-F116 PolarHBondContact O-N 3.17Å; T114-F116 HydrophobicContact CG2-CE2 3.77Å; T114-F116 HydrophobicContact CG2-CZ 3.92Å; F116-I118 HydrophobicContact CB-CD1 4.3Å
117T95.6Very high95.3Very high38 Ų3841.3 Ų41.323%0.23322%0.224CC..EExtended strand (participates in β ladder)trans-108.6102.3175.9-63.50000109I104 R119I104-T117 HydrophobicContact CB-CG2 4.38Å; I104-T117 HydrophobicContact CD1-CG2 3.84Å; I104-T117 HydrophobicContact CG1-CG2 3.79Å; I104-T117 HydrophobicContact CG2-CG2 3.74Å; T117-R119 HydrophobicContact CG2-CG 4.36Å; T117-R119 PolarHBondContact O-N 3.48Å
118I96.1Very high95Very high3 Ų340.1 Ų40.12%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-79.3121.8-179.4-49.2-51.9000108.9L41 L55 L105 C106 V108 F116 I150L41-I118 HydrophobicContact CD1-CG2 4.17Å; L41-I118 HydrophobicContact CD2-CG2 4Å; L55-I118 HydrophobicContact CD2-CD1 3.91Å; L105-I118 HydrophobicContact CD1-CG2 4.32Å; L105-I118 PolarHBondContact N-O 2.82Å; C106-I118 PolarHBondContact O-N 3.42Å; V108-I118 HydrophobicContact CG2-CG1 4.22Å; F116-I118 HydrophobicContact CB-CD1 4.3Å; I118-I150 HydrophobicContact CB-CD1 4.44Å; I118-I150 HydrophobicContact CG1-CD1 4.33Å; I118-I150 HydrophobicContact CG2-CD1 3.52Å; I118-I150 HydrophobicContact CG2-CG2 4.43Å
119R95.5Very high94.8Very high80 Ų8040.6 Ų40.630%0.30223%0.226SC..EExtended strand (participates in β ladder)trans-108.3154.7177.8-64.3173-173.9-92.66.2110.7C34 L41 D102 S103 I104 T117 G121C34-R119 WeakPolarHBondContact SG-CD 3.47Å; L41-R119 WeakPolarHBondContact CD1-O 3.14Å; D102-R119 PolarHBondContact O-NH1 3.06Å; S103-R119 CarbonylContact O-C 3.53Å; S103-R119 VanDerWaalsContact O-CA 3.3Å; S103-R119 WeakPolarHBondContact O-CA 3.5Å; I104-R119 HydrophobicContact CG1-CG 4.37Å; T117-R119 HydrophobicContact CG2-CG 4.36Å; T117-R119 PolarHBondContact O-N 3.48Å; R119-G121 VanDerWaalsContact C-N 3.28Å; R119-G121 PolarHBondContact O-N 3.49Å
120A95Very high94.7Very high0 Ų039.7 Ų39.70%022%0.22CC..  trans-66.6-29.2-173.600000113.3Y43 L99 S103 L105 V122Y43-A120 WeakPolarHBondContact CE1-O 3.44Å; Y43-A120 PolarHBondContact OH-O 3.45Å; L99-A120 HydrophobicContact CB-CB 4.07Å; L99-A120 HydrophobicContact CD1-CB 4.14Å; L99-A120 HydrophobicContact CG-CB 4.49Å; S103-A120 PolarHBondContact O-N 3.02Å; L105-A120 HydrophobicContact CD1-CB 4.4Å; L105-A120 HydrophobicContact CD2-CB 4.11Å; L105-A120 HydrophobicContact CG-CB 4.14Å; A120-V122 PolarHBondContact O-N 3.5Å
121G93.1Very high94.6Very high10 Ų1042 Ų4210%0.10324%0.239CC..  trans63.2-2.1177.200000115.8Y43 H101 R119Y43-G121 WeakPolarHBondContact OH-CA 3.27Å; H101-G121 PolarHBondContact CD2-O 2.71Å; H101-G121 WeakPolarHBondContact O-CA 3.21Å; H101-G121 PolarHBondContact O-N 2.82Å; R119-G121 VanDerWaalsContact C-N 3.28Å; R119-G121 PolarHBondContact O-N 3.49Å
122V94.7Very high94.5Very high0 Ų039.4 Ų39.40%023%0.228CC..SBendtrans-144.6160.2-179.2-58.10000111.6Y43 C100 A120 A124 I153 F162 N166 L168Y43-V122 HydrophobicContact CD1-CG1 4.2Å; Y43-V122 HydrophobicContact CE1-CB 4.47Å; Y43-V122 HydrophobicContact CE1-CG1 3.64Å; Y43-V122 HydrophobicContact CE1-CG2 3.97Å; Y43-V122 HydrophobicContact CE2-CG1 4.31Å; C100-V122 CarbonylContact C-O 3.51Å; A120-V122 PolarHBondContact O-N 3.5Å; V122-A124 HydrophobicContact CG2-CB 4.17Å; V122-I153 HydrophobicContact CG2-CD1 3.48Å; V122-I153 VanDerWaalsContact CG2-CD1 3.48Å; V122-F162 HydrophobicContact CB-CE2 4.12Å; V122-F162 HydrophobicContact CB-CZ 4.48Å; V122-F162 HydrophobicContact CG1-CE2 4Å; V122-F162 HydrophobicContact CG1-CZ 3.96Å; V122-F162 HydrophobicContact CG2-CE2 4.28Å; V122-F162 HydrophobicContact CG2-CZ 4.47Å; V122-N166 VanDerWaalsContact CA-OD1 3.27Å; V122-N166 WeakPolarHBondContact CA-OD1 3.21Å; V122-N166 HydrophobicContact CB-CB 4.21Å; V122-N166 WeakPolarHBondContact CB-OD1 3.39Å; V122-N166 HydrophobicContact CG1-CB 3.73Å; V122-L168 HydrophobicContact CG1-CD1 4.19Å; V122-L168 HydrophobicContact CG1-CD2 4.21Å
123K94.9Very high94.6Very high118 Ų11835.7 Ų35.751%0.51320%0.202SC..  trans-84.2117.7167.3-73.8176.3-178.4174.50111L99 S156 N166L99-K123 WeakPolarHBondContact O-CA 3.25Å; K123-S156 PolarHBondContact O-N 2.85Å; K123-N166 PolarHBondContact N-OD1 3.13Å
124A95.4Very high94.6Very high0 Ų036.9 Ų36.90%019%0.193CC..EExtended strand (participates in β ladder)trans-157.9172.2-176.400000113.2L99 V122 I153 Q154L99-A124 WeakPolarHBondContact CB-O 3.3Å; L99-A124 PolarHBondContact N-O 2.88Å; L99-A124 PolarHBondContact O-N 3.33Å; L99-A124 VanDerWaalsContact O-N 3.12Å; V122-A124 HydrophobicContact CG2-CB 4.17Å; A124-I153 HydrophobicContact CB-CB 3.92Å; A124-I153 HydrophobicContact CB-CD1 3.53Å; A124-I153 HydrophobicContact CB-CG1 4.26Å; A124-Q154 CarbonylContact C-O 3.58Å; A124-Q154 VanDerWaalsContact CA-O 3.3Å; A124-Q154 WeakPolarHBondContact CA-O 3.2Å; A124-Q154 WeakPolarHBondContact CB-O 3.36Å
125K94Very high94.5Very high63 Ų6340.6 Ų40.627%0.27421%0.211SC..EExtended strand (participates in β ladder)trans-99131.5162.9-55.9-175177.8170.30108.8A96 I127 I153 Q154A96-K125 HydrophobicContact CB-CB 4.2Å; K125-I127 PolarHBondContact O-N 2.79Å; K125-I153 CarbonylContact O-C 3.54Å; K125-I153 VanDerWaalsContact O-CA 3.31Å; K125-I153 WeakPolarHBondContact O-CA 3.46Å; K125-Q154 HydrophobicContact CB-CB 4.36Å; K125-Q154 PolarHBondContact N-O 2.97Å; K125-Q154 PolarHBondContact O-N 3.44Å
126L94.3Very high94.5Very high1 Ų137.9 Ų37.91%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-67.2125.6170.5-174.662.8000108.9R83 N86 A96 Q97 L99 E128 A151 I153R83-L126 HydrophobicContact CB-CD2 4.01Å; R83-L126 HydrophobicContact CG-CD2 4.45Å; N86-L126 HydrophobicContact CB-CD2 4.1Å; N86-L126 VanDerWaalsContact ND2-C 3.31Å; N86-L126 PolarHBondContact ND2-O 2.94Å; A96-L126 WeakPolarHBondContact CB-O 3.35Å; Q97-L126 HydrophobicContact CB-CB 4.26Å; Q97-L126 HydrophobicContact CB-CD2 4.48Å; Q97-L126 PolarHBondContact O-N 2.89Å; L99-L126 HydrophobicContact CD1-CB 4.08Å; L99-L126 HydrophobicContact CD1-CD1 4.3Å; L99-L126 HydrophobicContact CG-CB 4.29Å; L126-E128 WeakPolarHBondContact CD1-O 3.32Å; L126-A151 HydrophobicContact CD1-CB 3.78Å; L126-I153 HydrophobicContact CD1-CG2 4.19Å
127I92.4Very high94.4Very high18 Ų1837.9 Ų37.99%0.09220%0.203CC..EExtended strand (participates in β ladder)trans-91.5-53.8168.8-63.5174000108.1V50 N86 V88 K93 K125 I152 Q154V50-I127 HydrophobicContact CG1-CD1 4.05Å; V50-I127 HydrophobicContact CG2-CD1 3.99Å; N86-I127 PolarHBondContact ND2-O 2.83Å; V88-I127 WeakPolarHBondContact CG2-O 3.35Å; K93-I127 HydrophobicContact CD-CG1 4.46Å; K125-I127 PolarHBondContact O-N 2.79Å; I127-I152 WeakPolarHBondContact CA-O 3.4Å; I127-I152 HydrophobicContact CB-CB 4.37Å; I127-I152 HydrophobicContact CB-CG2 4.13Å; I127-I152 WeakPolarHBondContact CB-O 3.33Å; I127-I152 HydrophobicContact CD1-CG2 4.14Å; I127-I152 HydrophobicContact CG2-CG2 4.41Å; I127-I152 PolarHBondContact N-O 2.8Å; I127-Q154 HydrophobicContact CD1-CB 3.96Å; I127-Q154 HydrophobicContact CG1-CB 4.19Å
128E91.9Very high94.4Very high76 Ų7643.3 Ų43.336%0.35522%0.219SC..EExtended strand (participates in β ladder)trans-148.9144.1-174-172.3177.5160.900110.1L126 A151 I152L126-E128 WeakPolarHBondContact CD1-O 3.32Å; E128-A151 CarbonylContact O-C 3.51Å; E128-A151 WeakPolarHBondContact O-CA 3.43Å; E128-A151 WeakPolarHBondContact O-CB 3.36Å; E128-I152 HydrophobicContact CB-CB 4.17Å; E128-I152 HydrophobicContact CB-CD1 4.34Å; E128-I152 HydrophobicContact CB-CG1 4.46Å; E128-I152 PolarHBondContact N-O 2.8Å; E128-I152 PolarHBondContact O-N 3.15Å
129A94.2Very high94.4Very high9 Ų943.8 Ų43.87%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-109.7138.9166.600000108.1F75 R83 L84 A131F75-A129 HydrophobicContact CD1-CB 4.02Å; F75-A129 HydrophobicContact CE1-CB 3.8Å; F75-A129 HydrophobicContact CZ-CB 4.4Å; R83-A129 HydrophobicContact CB-CB 3.91Å; R83-A129 WeakPolarHBondContact O-CB 3.37Å; L84-A129 HydrophobicContact CD2-CB 3.94Å; L84-A129 WeakPolarHBondContact CD2-O 2.84Å; A129-A131 PolarHBondContact O-N 2.55Å; A129-A131 VanDerWaalsContact O-N 3.12Å
130N94.6Very high94.5Very high11 Ų1140 Ų406%0.05921%0.207CC..  trans-77.1104-171.1-176.2-1.3000111.5F75 A132 I133 R147 H149 I150F75-N130 VanDerWaalsContact CE2-O 3.29Å; F75-N130 WeakPolarHBondContact CE2-O 3.32Å; F75-N130 VanDerWaalsContact CZ-O 3.24Å; F75-N130 WeakPolarHBondContact CZ-O 3.41Å; N130-A132 PolarHBondContact O-N 2.79Å; N130-A132 WeakPolarHBondContact OD1-CA 3.33Å; N130-A132 WeakPolarHBondContact OD1-CB 3.31Å; N130-A132 PolarHBondContact OD1-N 3.14Å; N130-I133 HydrophobicContact CB-CG1 4.21Å; N130-I133 WeakPolarHBondContact O-CG1 3.34Å; N130-R147 PolarHBondContact ND2-O 3.44Å; N130-H149 WeakPolarHBondContact CB-O 3.48Å; N130-H149 PolarHBondContact ND2-ND1 2.87Å; N130-H149 PolarHBondContact ND2-O 3.34Å; N130-I150 PolarHBondContact N-O 2.97Å
131A94.1Very high94.5Very high48 Ų4840.7 Ų40.740%0.39721%0.211SC..Hα-helixtrans-64.8-23.7176.400000113L84 A129 I133 Q134 N135L84-A131 HydrophobicContact CD2-CB 3.93Å; A129-A131 PolarHBondContact O-N 2.55Å; A129-A131 VanDerWaalsContact O-N 3.12Å; A131-I133 VanDerWaalsContact C-N 3.32Å; A131-I133 PolarHBondContact O-N 2.76Å; A131-Q134 WeakPolarHBondContact O-CB 3.45Å; A131-Q134 PolarHBondContact O-N 2.8Å; A131-Q134 VanDerWaalsContact O-N 3.17Å; A131-N135 PolarHBondContact O-N 2.87Å
132A94.2Very high94.5Very high40 Ų4045 Ų4533%0.33124%0.235SC..Hα-helixtrans-64.7-36.1-177.300000112.2N130 Q134 N135 D136 L139N130-A132 PolarHBondContact O-N 2.79Å; N130-A132 WeakPolarHBondContact OD1-CA 3.33Å; N130-A132 WeakPolarHBondContact OD1-CB 3.31Å; N130-A132 PolarHBondContact OD1-N 3.14Å; A132-Q134 VanDerWaalsContact C-N 3.28Å; A132-Q134 PolarHBondContact O-N 2.75Å; A132-N135 PolarHBondContact O-N 3.42Å; A132-D136 PolarHBondContact O-N 3Å; A132-L139 HydrophobicContact CB-CD1 3.97Å
133I96Very high94.5Very high0 Ų046.9 Ų46.90%025%0.245CC..Hα-helixtrans-72.8-19.517859.9165.5000113.3V73 F75 N130 A131 D136 G137 L139 L140V73-I133 HydrophobicContact CG1-CD1 4Å; V73-I133 HydrophobicContact CG1-CG1 4.25Å; V73-I133 VanDerWaalsContact CG2-O 3.29Å; V73-I133 WeakPolarHBondContact CG2-O 3.49Å; F75-I133 HydrophobicContact CE2-CD1 4.29Å; F75-I133 HydrophobicContact CE2-CG1 3.95Å; F75-I133 HydrophobicContact CZ-CD1 3.67Å; F75-I133 HydrophobicContact CZ-CG1 3.72Å; N130-I133 HydrophobicContact CB-CG1 4.21Å; N130-I133 WeakPolarHBondContact O-CG1 3.34Å; A131-I133 VanDerWaalsContact C-N 3.32Å; A131-I133 PolarHBondContact O-N 2.76Å; I133-D136 CarbonylContact O-C 3.56Å; I133-G137 VanDerWaalsContact O-CA 3.3Å; I133-G137 WeakPolarHBondContact O-CA 3.04Å; I133-G137 PolarHBondContact O-N 3.27Å; I133-L139 HydrophobicContact CG2-CB 4Å; I133-L140 HydrophobicContact CB-CG 4.23Å; I133-L140 HydrophobicContact CD1-CD2 3.75Å; I133-L140 HydrophobicContact CD1-CG 4.24Å; I133-L140 HydrophobicContact CG2-CD2 4.22Å; I133-L140 HydrophobicContact CG2-CG 4.08Å
134Q94.5Very high94.5Very high79 Ų7942.3 Ų42.337%0.36923%0.228SC..Hα-helixtrans-71.4-35.7170-178.7171.359.900111.3F75 A131 A132F75-Q134 HydrophobicContact CD2-CB 4.19Å; F75-Q134 HydrophobicContact CE2-CB 4.06Å; A131-Q134 WeakPolarHBondContact O-CB 3.45Å; A131-Q134 PolarHBondContact O-N 2.8Å; A131-Q134 VanDerWaalsContact O-N 3.17Å; A132-Q134 VanDerWaalsContact C-N 3.28Å; A132-Q134 PolarHBondContact O-N 2.75Å
135N92.7Very high94.4Very high140 Ų14044.1 Ų44.175%0.74924%0.236SC*.Hα-helixtrans-81.8-39.3178.8-65.1-37.1000112.4A131 A132A131-N135 PolarHBondContact O-N 2.87Å; A132-N135 PolarHBondContact O-N 3.42Å
136D94.7Very high94.3Very high48 Ų4842.7 Ų42.726%0.25723%0.229SC..  trans-134.190176.5-170.9-3.5000110.8A132 I133 R138 L139A132-D136 PolarHBondContact O-N 3Å; I133-D136 CarbonylContact O-C 3.56Å; D136-R138 PolarHBondContact O-N 3.43Å; D136-R138 VanDerWaalsContact O-N 3.14Å; D136-R138 VanDerWaalsContact OD1-CB 3.32Å; D136-R138 WeakPolarHBondContact OD1-CB 3.23Å; D136-R138 WeakPolarHBondContact OD1-CG 3.07Å; D136-R138 IonicContact OD1-CZ 3.57Å; D136-R138 PolarHBondContact OD1-N 2.81Å; D136-R138 IonicContact OD1-NE 2.82Å; D136-R138 PolarHBondContact OD1-NE 3.03Å; D136-R138 IonicContact OD1-NH2 3.44Å; D136-R138 PolarHBondContact OD1-NH2 3.24Å; D136-R138 IonicContact OD2-CZ 3.58Å; D136-R138 IonicContact OD2-NE 3.53Å; D136-R138 IonicContact OD2-NH2 2.78Å; D136-R138 PolarHBondContact OD2-NH2 2.74Å; D136-L139 HydrophobicContact CB-CD1 4.22Å; D136-L139 HydrophobicContact CB-CG 4.2Å; D136-L139 WeakPolarHBondContact O-CB 3.46Å; D136-L139 WeakPolarHBondContact O-CG 3.42Å; D136-L139 PolarHBondContact O-N 3.07Å
137G94.4Very high94.2Very high13 Ų1349.6 Ų49.613%0.13426%0.255CS..THydrogen-bonded Turntrans-62.7-18-179.400000114.6I133 L139 L140I133-G137 VanDerWaalsContact O-CA 3.3Å; I133-G137 WeakPolarHBondContact O-CA 3.04Å; I133-G137 PolarHBondContact O-N 3.27Å; G137-L139 PolarHBondContact O-N 2.89Å; G137-L140 WeakPolarHBondContact O-CB 3.26Å; G137-L140 PolarHBondContact O-N 3.34Å
138R95.2Very high94.3Very high153 Ų15348.7 Ų48.758%0.57725%0.251SS*.THydrogen-bonded Turntrans-64.3-24.4177.6-60172.1-63.1177.53.8112D136 L140 Q141 T142D136-R138 PolarHBondContact O-N 3.43Å; D136-R138 VanDerWaalsContact O-N 3.14Å; D136-R138 VanDerWaalsContact OD1-CB 3.32Å; D136-R138 WeakPolarHBondContact OD1-CB 3.23Å; D136-R138 WeakPolarHBondContact OD1-CG 3.07Å; D136-R138 IonicContact OD1-CZ 3.57Å; D136-R138 PolarHBondContact OD1-N 2.81Å; D136-R138 IonicContact OD1-NE 2.82Å; D136-R138 PolarHBondContact OD1-NE 3.03Å; D136-R138 IonicContact OD1-NH2 3.44Å; D136-R138 PolarHBondContact OD1-NH2 3.24Å; D136-R138 IonicContact OD2-CZ 3.58Å; D136-R138 IonicContact OD2-NE 3.53Å; D136-R138 IonicContact OD2-NH2 2.78Å; D136-R138 PolarHBondContact OD2-NH2 2.74Å; R138-L140 PolarHBondContact O-N 2.95Å; R138-Q141 WeakPolarHBondContact O-CA 3.3Å; R138-Q141 WeakPolarHBondContact O-CB 2.9Å; R138-Q141 PolarHBondContact O-N 3.13Å; R138-T142 PolarHBondContact O-N 3.42Å; R138-T142 PolarHBondContact O-OG1 3.49Å
139L96.2Very high94.5Very high12 Ų1246.2 Ų46.26%0.06324%0.239CC..Hα-helixtrans-57.4-33.8177.3-65.8177.3000112A132 I133 D136 G137 Q141 D143 R147 G148A132-L139 HydrophobicContact CB-CD1 3.97Å; I133-L139 HydrophobicContact CG2-CB 4Å; D136-L139 HydrophobicContact CB-CD1 4.22Å; D136-L139 HydrophobicContact CB-CG 4.2Å; D136-L139 WeakPolarHBondContact O-CB 3.46Å; D136-L139 WeakPolarHBondContact O-CG 3.42Å; D136-L139 PolarHBondContact O-N 3.07Å; G137-L139 PolarHBondContact O-N 2.89Å; L139-Q141 PolarHBondContact O-N 2.77Å; L139-Q141 VanDerWaalsContact O-N 3.1Å; L139-D143 CarbonylContact O-C 3.59Å; L139-D143 PolarHBondContact O-N 2.96Å; L139-D143 VanDerWaalsContact O-N 3.1Å; L139-R147 HydrophobicContact CB-CB 4.5Å; L139-R147 HydrophobicContact CD1-CB 4.31Å; L139-R147 HydrophobicContact CD2-CB 3.83Å; L139-R147 HydrophobicContact CG-CB 4.44Å; L139-G148 VanDerWaalsContact O-CA 3.27Å; L139-G148 WeakPolarHBondContact O-CA 3.3Å
140L96.7Very high94.7Very high0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-56-26.3173.1-73.2170000112.9L55 V73 V108 I133 G137 R138 P144 I150L55-L140 HydrophobicContact CD1-CB 4.06Å; L55-L140 HydrophobicContact CD1-CD2 4.13Å; L55-L140 HydrophobicContact CG-CD2 4.39Å; V73-L140 HydrophobicContact CG2-CD1 3.65Å; V108-L140 HydrophobicContact CG1-CD1 4.17Å; V108-L140 HydrophobicContact CG2-CD1 3.89Å; I133-L140 HydrophobicContact CB-CG 4.23Å; I133-L140 HydrophobicContact CD1-CD2 3.75Å; I133-L140 HydrophobicContact CD1-CG 4.24Å; I133-L140 HydrophobicContact CG2-CD2 4.22Å; I133-L140 HydrophobicContact CG2-CG 4.08Å; G137-L140 WeakPolarHBondContact O-CB 3.26Å; G137-L140 PolarHBondContact O-N 3.34Å; R138-L140 PolarHBondContact O-N 2.95Å; L140-P144 WeakPolarHBondContact O-CB 3.33Å; L140-I150 HydrophobicContact CD2-CD1 4.47Å; L140-I150 HydrophobicContact CD2-CG1 3.96Å
141Q96Very high94.7Very high15 Ų1545.3 Ų45.37%0.0723%0.233CC..Hα-helixtrans-105.3-41.1-172.9-44.8-174.8-69.700111.6L61 R65 L68 V70 R138 L139L61-Q141 VanDerWaalsContact O-CG 3.23Å; L61-Q141 WeakPolarHBondContact O-CG 3.14Å; L61-Q141 PolarHBondContact O-NE2 2.79Å; R65-Q141 HydrophobicContact CB-CB 3.96Å; L68-Q141 PolarHBondContact O-NE2 3.34Å; V70-Q141 HydrophobicContact CG2-CG 4.13Å; R138-Q141 WeakPolarHBondContact O-CA 3.3Å; R138-Q141 WeakPolarHBondContact O-CB 2.9Å; R138-Q141 PolarHBondContact O-N 3.13Å; L139-Q141 PolarHBondContact O-N 2.77Å; L139-Q141 VanDerWaalsContact O-N 3.1Å
142T94Very high94.8Very high101 Ų10143.4 Ų43.462%0.6222%0.216SC*.Hα-helixtrans-80.4-33.1-175.158.30000112.9R138R138-T142 PolarHBondContact O-N 3.42Å; R138-T142 PolarHBondContact O-OG1 3.49Å
143D94.2Very high94.8Very high39 Ų3941.5 Ų41.521%0.20920%0.2CC..SBendtrans-149.662.6-177.3-172.925.9000111.8F16 L139 E145 W146 R147 G148F16-D143 WeakPolarHBondContact CE1-OD2 3.33Å; F16-D143 WeakPolarHBondContact CZ-OD2 3.14Å; L139-D143 CarbonylContact O-C 3.59Å; L139-D143 PolarHBondContact O-N 2.96Å; L139-D143 VanDerWaalsContact O-N 3.1Å; D143-E145 VanDerWaalsContact C-N 3.32Å; D143-E145 PolarHBondContact O-N 3.31Å; D143-W146 PolarHBondContact O-N 2.93Å; D143-W146 VanDerWaalsContact OD1-CD1 3.26Å; D143-R147 HydrophobicContact CB-CB 4.26Å; D143-R147 PolarHBondContact O-N 2.94Å; D143-R147 WeakPolarHBondContact OD2-CG 3.49Å; D143-R147 PolarHBondContact OD2-N 3.45Å; D143-R147 VanDerWaalsContact OD2-N 3.08Å; D143-G148 VanDerWaalsContact O-CA 3.31Å; D143-G148 WeakPolarHBondContact O-CA 3.43Å; D143-G148 PolarHBondContact O-N 3.28Å
144P95.2Very high94.7Very high23 Ų2342.9 Ų42.915%0.14921%0.207CC..THydrogen-bonded Turntrans-60.2-37.4-169.620.1-31.9000113.7C54 L55 V62 L140 W146 G148 H149C54-P144 WeakPolarHBondContact CB-O 3.29Å; L55-P144 HydrophobicContact CB-CB 4.26Å; V62-P144 HydrophobicContact CG1-CG 4.44Å; V62-P144 HydrophobicContact CG2-CB 4.29Å; V62-P144 HydrophobicContact CG2-CG 4.32Å; L140-P144 WeakPolarHBondContact O-CB 3.33Å; P144-W146 VanDerWaalsContact C-N 3.29Å; P144-W146 PolarHBondContact O-N 3.12Å; P144-G148 CarbonylContact O-C 3.5Å; P144-H149 WeakPolarHBondContact O-CA 3.27Å; P144-H149 PolarHBondContact O-N 3.46Å; P144-H149 VanDerWaalsContact O-N 3.1Å
145E92.9Very high94.7Very high38 Ų3839.9 Ų39.918%0.17819%0.194CC..THydrogen-bonded Turntrans-71.9-25.9-173.8-66.2-170.7170.800112.7K27 L44 D143K27-E145 IonicContact NZ-OE1 2.68Å; K27-E145 PolarHBondContact NZ-OE1 2.83Å; K27-E145 IonicContact NZ-OE2 3.64Å; K27-E145 PolarHBondContact NZ-OE2 2.92Å; L44-E145 HydrophobicContact CD1-CB 4.17Å; D143-E145 VanDerWaalsContact C-N 3.32Å; D143-E145 PolarHBondContact O-N 3.31Å
146W91.3Very high94.8Very high33 Ų3337 Ų3713%0.12518%0.184CC..THydrogen-bonded Turntrans-125.6-82.3-167.9-44.7118.5000111.8F16 P17 K22 L44 D143 P144 G148 H149F16-W146 HydrophobicContact CD1-CB 4.3Å; F16-W146 HydrophobicContact CE1-CB 3.3Å; F16-W146 AromaticContact CE1-CG 3.94Å; F16-W146 HydrophobicContact CE1-CG 3.94Å; F16-W146 HydrophobicContact CE2-CB 4.01Å; F16-W146 HydrophobicContact CZ-CB 3.08Å; F16-W146 HydrophobicContact CZ-CG 4.19Å; P17-W146 HydrophobicContact CG-CD2 3.99Å; P17-W146 HydrophobicContact CG-CE3 3.42Å; P17-W146 VanDerWaalsContact CG-CE3 3.42Å; P17-W146 HydrophobicContact CG-CH2 4.33Å; P17-W146 HydrophobicContact CG-CZ3 3.61Å; K22-W146 HydrophobicContact CD-CZ2 3.95Å; K22-W146 HydrophobicContact CG-CH2 4.01Å; K22-W146 HydrophobicContact CG-CZ2 3.77Å; L44-W146 HydrophobicContact CD1-CE3 4.21Å; L44-W146 HydrophobicContact CD1-CH2 3.9Å; L44-W146 HydrophobicContact CD1-CZ3 3.65Å; D143-W146 PolarHBondContact O-N 2.93Å; D143-W146 VanDerWaalsContact OD1-CD1 3.26Å; P144-W146 VanDerWaalsContact C-N 3.29Å; P144-W146 PolarHBondContact O-N 3.12Å; W146-G148 PolarHBondContact O-N 2.83Å; W146-H149 PolarHBondContact O-N 3.05Å; W146-H149 PolarHBondContact O-ND1 3.24Å
147R92.3Very high94.6Very high145 Ų14536 Ų3655%0.54718%0.184SC..THydrogen-bonded Turntrans-68.2-32.5-175.3-68.3-177.377.4171.8-2.9109.9F16 N130 L139 D143F16-R147 HydrophobicContact CD2-CG 4.2Å; F16-R147 HydrophobicContact CE1-CG 4.12Å; F16-R147 HydrophobicContact CE2-CB 3.96Å; F16-R147 HydrophobicContact CE2-CG 3.1Å; F16-R147 HydrophobicContact CZ-CB 3.88Å; F16-R147 HydrophobicContact CZ-CG 3.06Å; N130-R147 PolarHBondContact ND2-O 3.44Å; L139-R147 HydrophobicContact CB-CB 4.5Å; L139-R147 HydrophobicContact CD1-CB 4.31Å; L139-R147 HydrophobicContact CD2-CB 3.83Å; L139-R147 HydrophobicContact CG-CB 4.44Å; D143-R147 HydrophobicContact CB-CB 4.26Å; D143-R147 PolarHBondContact O-N 2.94Å; D143-R147 WeakPolarHBondContact OD2-CG 3.49Å; D143-R147 PolarHBondContact OD2-N 3.45Å; D143-R147 VanDerWaalsContact OD2-N 3.08Å
148G95.7Very high94.5Very high0 Ų041.6 Ų41.60%021%0.21CC..THydrogen-bonded Turntrans-92.811.5179.300000114.6L139 D143 P144 W146L139-G148 VanDerWaalsContact O-CA 3.27Å; L139-G148 WeakPolarHBondContact O-CA 3.3Å; D143-G148 VanDerWaalsContact O-CA 3.31Å; D143-G148 WeakPolarHBondContact O-CA 3.43Å; D143-G148 PolarHBondContact O-N 3.28Å; P144-G148 CarbonylContact O-C 3.5Å; W146-G148 PolarHBondContact O-N 2.83Å
149H96Very high94.3Very high24 Ų2441 Ų4111%0.11121%0.208CC..  trans-59.2151.5174.578.4-84.4000109.9V52 N130 P144 W146V52-H149 HydrophobicContact CG1-CB 3.45Å; V52-H149 VanDerWaalsContact CG1-CB 3.45Å; N130-H149 WeakPolarHBondContact CB-O 3.48Å; N130-H149 PolarHBondContact ND2-ND1 2.87Å; N130-H149 PolarHBondContact ND2-O 3.34Å; P144-H149 WeakPolarHBondContact O-CA 3.27Å; P144-H149 PolarHBondContact O-N 3.46Å; P144-H149 VanDerWaalsContact O-N 3.1Å; W146-H149 PolarHBondContact O-N 3.05Å; W146-H149 PolarHBondContact O-ND1 3.24Å
150I97.1Very high94.1Very high0 Ų045.8 Ų45.80%024%0.242CC..  trans-91.3-46.8-172.6-58.3176.6000110.1L41 I53 L55 L105 I118 N130 L140L41-I150 HydrophobicContact CD2-CD1 4.42Å; I53-I150 PolarHBondContact O-N 3.4Å; L55-I150 HydrophobicContact CD2-CD1 3.74Å; L55-I150 HydrophobicContact CG-CD1 4.09Å; L105-I150 HydrophobicContact CB-CG2 4.11Å; L105-I150 HydrophobicContact CD1-CG2 4Å; I118-I150 HydrophobicContact CB-CD1 4.44Å; I118-I150 HydrophobicContact CG1-CD1 4.33Å; I118-I150 HydrophobicContact CG2-CD1 3.52Å; I118-I150 HydrophobicContact CG2-CG2 4.43Å; N130-I150 PolarHBondContact N-O 2.97Å; L140-I150 HydrophobicContact CD2-CD1 4.47Å; L140-I150 HydrophobicContact CD2-CG1 3.96Å
151A96.1Very high94Very high1 Ų147.4 Ų47.41%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-156.7153.2-176.300000111.7I53 L105 L126 E128 I153I53-A151 PolarHBondContact N-O 2.85Å; I53-A151 PolarHBondContact O-N 3.21Å; L105-A151 HydrophobicContact CD1-CB 4.49Å; L105-A151 HydrophobicContact CD2-CB 4.47Å; L126-A151 HydrophobicContact CD1-CB 3.78Å; E128-A151 CarbonylContact O-C 3.51Å; E128-A151 WeakPolarHBondContact O-CA 3.43Å; E128-A151 WeakPolarHBondContact O-CB 3.36Å; A151-I153 HydrophobicContact CB-CG2 4.42Å
152I95.1Very high93.9Very high7 Ų746.7 Ų46.74%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-103.9129.7166.8-55175.3000107.3V13 V50 V52 I127 E128V13-I152 HydrophobicContact CB-CD1 4.26Å; V13-I152 HydrophobicContact CG1-CD1 3.54Å; V50-I152 HydrophobicContact CG1-CG2 3.23Å; V52-I152 HydrophobicContact CG2-CG1 4.48Å; I127-I152 WeakPolarHBondContact CA-O 3.4Å; I127-I152 HydrophobicContact CB-CB 4.37Å; I127-I152 HydrophobicContact CB-CG2 4.13Å; I127-I152 WeakPolarHBondContact CB-O 3.33Å; I127-I152 HydrophobicContact CD1-CG2 4.14Å; I127-I152 HydrophobicContact CG2-CG2 4.41Å; I127-I152 PolarHBondContact N-O 2.8Å; E128-I152 HydrophobicContact CB-CB 4.17Å; E128-I152 HydrophobicContact CB-CD1 4.34Å; E128-I152 HydrophobicContact CB-CG1 4.46Å; E128-I152 PolarHBondContact N-O 2.8Å; E128-I152 PolarHBondContact O-N 3.15Å
153I95Very high93.9Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-129.9159-176.361.4153.6000111.6C51 I53 L99 V122 A124 K125 L126 A151C51-I153 HydrophobicContact CB-CD1 4.21Å; C51-I153 HydrophobicContact CB-CG1 3.88Å; C51-I153 PolarHBondContact N-O 3.29Å; C51-I153 VanDerWaalsContact O-CG1 3.25Å; C51-I153 WeakPolarHBondContact O-CG1 3.4Å; C51-I153 PolarHBondContact O-N 2.79Å; I53-I153 HydrophobicContact CD1-CD1 3.85Å; I53-I153 HydrophobicContact CD1-CG1 4.06Å; I53-I153 HydrophobicContact CD1-CG2 3.73Å; I53-I153 HydrophobicContact CG1-CD1 4.06Å; I53-I153 HydrophobicContact CG1-CG1 4.02Å; I53-I153 HydrophobicContact CG1-CG2 4.32Å; L99-I153 HydrophobicContact CD1-CG2 3.69Å; V122-I153 HydrophobicContact CG2-CD1 3.48Å; V122-I153 VanDerWaalsContact CG2-CD1 3.48Å; A124-I153 HydrophobicContact CB-CB 3.92Å; A124-I153 HydrophobicContact CB-CD1 3.53Å; A124-I153 HydrophobicContact CB-CG1 4.26Å; K125-I153 CarbonylContact O-C 3.54Å; K125-I153 VanDerWaalsContact O-CA 3.31Å; K125-I153 WeakPolarHBondContact O-CA 3.46Å; L126-I153 HydrophobicContact CD1-CG2 4.19Å; A151-I153 HydrophobicContact CB-CG2 4.42Å
154Q93.6Very high93.9Very high30 Ų3048.9 Ų48.914%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-110.3107.8165.4-172.6134.541.600108.9A124 K125 I127A124-Q154 CarbonylContact C-O 3.58Å; A124-Q154 VanDerWaalsContact CA-O 3.3Å; A124-Q154 WeakPolarHBondContact CA-O 3.2Å; A124-Q154 WeakPolarHBondContact CB-O 3.36Å; K125-Q154 HydrophobicContact CB-CB 4.36Å; K125-Q154 PolarHBondContact N-O 2.97Å; K125-Q154 PolarHBondContact O-N 3.44Å; I127-Q154 HydrophobicContact CD1-CB 3.96Å; I127-Q154 HydrophobicContact CG1-CB 4.19Å
155P95.2Very high93.8Very high16 Ų1650.8 Ų50.810%0.10427%0.271CS..EExtended strand (participates in β ladder)trans-53.4144174.9-27.337000112.6L45 G49 C51 F162L45-P155 HydrophobicContact CD1-CG 4.24Å; G49-P155 WeakPolarHBondContact O-CD 3.05Å; C51-P155 HydrophobicContact CB-CG 3.84Å; P155-F162 HydrophobicContact CB-CD2 3.44Å; P155-F162 VanDerWaalsContact CB-CD2 3.44Å; P155-F162 HydrophobicContact CB-CE2 3.68Å; P155-F162 HydrophobicContact CB-CG 4.3Å; P155-F162 HydrophobicContact CG-CD2 3.64Å; P155-F162 HydrophobicContact CG-CE2 3.57Å; P155-F162 HydrophobicContact CG-CG 4.25Å; P155-F162 HydrophobicContact CG-CZ 4.15Å
156S93.4Very high93.7Very high78 Ų7849.7 Ų49.755%0.54527%0.266SS..SBendtrans-77-28.3174.7-64.10000112.3K123K123-S156 PolarHBondContact O-N 2.85Å
157A91.6Very high93.8Very high29 Ų2951 Ų5124%0.2429%0.29CS..SBendtrans-81.8154.2174.300000111.2S165A157-S165 VanDerWaalsContact CB-OG 3.3Å; A157-S165 WeakPolarHBondContact CB-OG 3.34Å
158D91.7Very high93.9Very high129 Ų12944.8 Ų44.869%0.6927%0.268SS*.  trans-62.5152.4170.5-76.2-49.2000111.3S160 A161 F162D158-S160 PolarHBondContact O-N 3.48Å; D158-S160 VanDerWaalsContact O-N 3.09Å; D158-A161 CarbonylContact O-C 3.49Å; D158-A161 PolarHBondContact O-N 2.85Å; D158-F162 PolarHBondContact O-N 2.87Å
159R91.9Very high93.9Very high140 Ų14047.2 Ų47.253%0.52828%0.28SS..THydrogen-bonded Turntrans-50.5-41.1-174.8-164.5-172.871.6-171.45.8113.3L45 N47 A161L45-R159 HydrophobicContact CD1-CG 4.34Å; L45-R159 HydrophobicContact CD2-CB 4.48Å; L45-R159 HydrophobicContact CD2-CG 3.45Å; L45-R159 VanDerWaalsContact CD2-CG 3.45Å; L45-R159 HydrophobicContact CG-CG 3.95Å; N47-R159 PolarHBondContact O-NH1 3.29Å; R159-A161 VanDerWaalsContact C-N 3.35Å
160S91.1Very high93.9Very high113 Ų11348 Ų4879%0.7929%0.288SS*.THydrogen-bonded Turntrans-71.8-27.1-179.549.90000113.6D158D158-S160 PolarHBondContact O-N 3.48Å; D158-S160 VanDerWaalsContact O-N 3.09Å
161A94.5Very high93.8Very high35 Ų3549.2 Ų49.229%0.28930%0.298SS..THydrogen-bonded Turntrans-98.1-6.2179.800000112.7D158 R159 A163 E164 S165D158-A161 CarbonylContact O-C 3.49Å; D158-A161 PolarHBondContact O-N 2.85Å; R159-A161 VanDerWaalsContact C-N 3.35Å; A161-A163 PolarHBondContact O-N 2.99Å; A161-E164 PolarHBondContact O-N 3.08Å; A161-S165 WeakPolarHBondContact O-CB 3.3Å; A161-S165 PolarHBondContact O-N 3.33Å; A161-S165 PolarHBondContact O-OG 3.26Å
162F94.4Very high93.7Very high0 Ų056.6 Ų56.60%033%0.333CS..Hα-helixtrans-55.3-48.7-173.5174.8-116.1000112.9Y28 Y43 L45 V122 P155 D158 S165 N166 L168Y28-F162 HydrophobicContact CD2-CD1 4.17Å; Y28-F162 HydrophobicContact CD2-CE1 4.37Å; Y28-F162 HydrophobicContact CE2-CD1 4.44Å; Y43-F162 HydrophobicContact CD1-CZ 4.18Å; Y43-F162 HydrophobicContact CG-CE1 4.46Å; Y43-F162 HydrophobicContact CG-CZ 4.33Å; L45-F162 HydrophobicContact CB-CD1 4.47Å; L45-F162 HydrophobicContact CD1-CD1 4.29Å; L45-F162 HydrophobicContact CD2-CB 4.12Å; L45-F162 HydrophobicContact CD2-CD1 3.84Å; L45-F162 HydrophobicContact CD2-CG 4.29Å; L45-F162 HydrophobicContact CG-CD1 4.44Å; V122-F162 HydrophobicContact CB-CE2 4.12Å; V122-F162 HydrophobicContact CB-CZ 4.48Å; V122-F162 HydrophobicContact CG1-CE2 4Å; V122-F162 HydrophobicContact CG1-CZ 3.96Å; V122-F162 HydrophobicContact CG2-CE2 4.28Å; V122-F162 HydrophobicContact CG2-CZ 4.47Å; P155-F162 HydrophobicContact CB-CD2 3.44Å; P155-F162 VanDerWaalsContact CB-CD2 3.44Å; P155-F162 HydrophobicContact CB-CE2 3.68Å; P155-F162 HydrophobicContact CB-CG 4.3Å; P155-F162 HydrophobicContact CG-CD2 3.64Å; P155-F162 HydrophobicContact CG-CE2 3.57Å; P155-F162 HydrophobicContact CG-CG 4.25Å; P155-F162 HydrophobicContact CG-CZ 4.15Å; D158-F162 PolarHBondContact O-N 2.87Å; F162-S165 PolarHBondContact O-OG 3.09Å; F162-N166 PolarHBondContact O-N 2.79Å; F162-N166 PolarHBondContact O-ND2 3.03Å; F162-L168 HydrophobicContact CD1-CD1 4Å; F162-L168 HydrophobicContact CE1-CD1 3.46Å; F162-L168 VanDerWaalsContact CE1-CD1 3.46Å; F162-L168 HydrophobicContact CE2-CD1 4.43Å; F162-L168 HydrophobicContact CZ-CD1 3.72Å
163A94Very high93.7Very high14 Ų1460.3 Ų60.312%0.11635%0.353CS..Hα-helixtrans-66.7-52.3-178.100000111.8Y28 A161 S165 N166 G167 L168Y28-A163 HydrophobicContact CD1-CB 3.49Å; Y28-A163 VanDerWaalsContact CD1-CB 3.49Å; Y28-A163 HydrophobicContact CE1-CB 3.37Å; Y28-A163 HydrophobicContact CE2-CB 4.47Å; Y28-A163 HydrophobicContact CG-CB 4.1Å; A161-A163 PolarHBondContact O-N 2.99Å; A163-S165 PolarHBondContact O-N 3.37Å; A163-N166 CarbonylContact O-C 3.55Å; A163-N166 PolarHBondContact O-N 3.46Å; A163-G167 PolarHBondContact O-N 3.02Å; A163-L168 HydrophobicContact CB-CB 4.23Å; A163-L168 PolarHBondContact O-N 3.18Å
164E93.4Very high93.8Very high172 Ų17261 Ų6180%0.80436%0.355SS*.Hα-helixtrans-59.9-47.2-179.4-173.8-175.7177.800112A161 N166 G167A161-E164 PolarHBondContact O-N 3.08Å; E164-N166 PolarHBondContact O-N 2.8Å; E164-N166 VanDerWaalsContact O-N 3.12Å; E164-G167 PolarHBondContact O-N 3.12Å; E164-G167 VanDerWaalsContact O-N 3.14Å
165S92.8Very high93.8Very high62 Ų6267.4 Ų67.443%0.43438%0.378SS..Hα-helixtrans-65.6-16.6-177.6610000114.7A157 A161 F162 A163A157-S165 VanDerWaalsContact CB-OG 3.3Å; A157-S165 WeakPolarHBondContact CB-OG 3.34Å; A161-S165 WeakPolarHBondContact O-CB 3.3Å; A161-S165 PolarHBondContact O-N 3.33Å; A161-S165 PolarHBondContact O-OG 3.26Å; F162-S165 PolarHBondContact O-OG 3.09Å; A163-S165 PolarHBondContact O-N 3.37Å
166N92.2Very high93.7Very high15 Ų1575.5 Ų75.58%0.0841%0.407CS..THydrogen-bonded Turntrans-12012.2177.1-54.6-89.7000112.4H101 V122 K123 F162 A163 E164 L168H101-N166 PolarHBondContact NE2-OD1 3.12Å; V122-N166 VanDerWaalsContact CA-OD1 3.27Å; V122-N166 WeakPolarHBondContact CA-OD1 3.21Å; V122-N166 HydrophobicContact CB-CB 4.21Å; V122-N166 WeakPolarHBondContact CB-OD1 3.39Å; V122-N166 HydrophobicContact CG1-CB 3.73Å; K123-N166 PolarHBondContact N-OD1 3.13Å; F162-N166 PolarHBondContact O-N 2.79Å; F162-N166 PolarHBondContact O-ND2 3.03Å; A163-N166 CarbonylContact O-C 3.55Å; A163-N166 PolarHBondContact O-N 3.46Å; E164-N166 PolarHBondContact O-N 2.8Å; E164-N166 VanDerWaalsContact O-N 3.12Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 HydrophobicContact CB-CD1 4.41Å; N166-L168 HydrophobicContact CB-CD2 4.26Å; N166-L168 HydrophobicContact CB-CG 4.01Å; N166-L168 PolarHBondContact O-N 2.78Å
167G92.4Very high93.7Very high61 Ų6174.7 Ų74.763%0.62940%0.396SS*.THydrogen-bonded Turntrans61.933.8177.400000114.2A163 E164A163-G167 PolarHBondContact O-N 3.02Å; E164-G167 PolarHBondContact O-N 3.12Å; E164-G167 VanDerWaalsContact O-N 3.14Å
168L95.1Very high93.6Very high15 Ų1574.4 Ų74.48%0.07939%0.389CS..PPolyproline II helixtrans-86.5139.4-177.2-49.2178.6000111.6F29 V30 Y43 V122 F162 A163 N166F29-L168 CarbonylContact O-C 3.17Å; F29-L168 WeakPolarHBondContact O-CA 3.29Å; V30-L168 HydrophobicContact CB-CD2 3.93Å; Y43-L168 HydrophobicContact CD2-CD1 3.89Å; Y43-L168 HydrophobicContact CD2-CD2 3.92Å; Y43-L168 HydrophobicContact CE2-CD1 4.39Å; Y43-L168 HydrophobicContact CE2-CD2 3.69Å; Y43-L168 HydrophobicContact CG-CD1 4.18Å; V122-L168 HydrophobicContact CG1-CD1 4.19Å; V122-L168 HydrophobicContact CG1-CD2 4.21Å; F162-L168 HydrophobicContact CD1-CD1 4Å; F162-L168 HydrophobicContact CE1-CD1 3.46Å; F162-L168 VanDerWaalsContact CE1-CD1 3.46Å; F162-L168 HydrophobicContact CE2-CD1 4.43Å; F162-L168 HydrophobicContact CZ-CD1 3.72Å; A163-L168 HydrophobicContact CB-CB 4.23Å; A163-L168 PolarHBondContact O-N 3.18Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 HydrophobicContact CB-CD1 4.41Å; N166-L168 HydrophobicContact CB-CD2 4.26Å; N166-L168 HydrophobicContact CB-CG 4.01Å; N166-L168 PolarHBondContact O-N 2.78Å
169L95.7Very high93.3Very high51 Ų5173.8 Ų73.827%0.26739%0.386SS..EExtended strand (participates in β ladder)trans-81.4148175-61.9-178.6000111.5Y28 F29 V31 D173 L177Y28-L169 CarbonylContact C-O 3.56Å; Y28-L169 VanDerWaalsContact CA-O 3.27Å; Y28-L169 WeakPolarHBondContact CA-O 3.3Å; F29-L169 PolarHBondContact N-O 3.02Å; F29-L169 PolarHBondContact O-N 2.87Å; V31-L169 HydrophobicContact CG2-CD1 3.66Å; L169-D173 HydrophobicContact CB-CB 4.3Å; L169-D173 HydrophobicContact CD2-CB 4.41Å; L169-L177 HydrophobicContact CD1-CD1 4.14Å
170S95.8Very high92.8Very high40 Ų4072.3 Ų72.328%0.2839%0.388SS..EExtended strand (participates in β ladder)trans-67.9160.6166.580.60000110.7Q172 D173 Y174S170-Q172 PolarHBondContact O-N 3.48Å; S170-Q172 PolarHBondContact OG-N 3.31Å; S170-D173 WeakPolarHBondContact CB-OD2 3.41Å; S170-D173 PolarHBondContact O-N 3.41Å; S170-D173 PolarHBondContact OG-N 2.97Å; S170-D173 VanDerWaalsContact OG-N 3.15Å; S170-D173 PolarHBondContact OG-OD2 3.26Å; S170-Y174 WeakPolarHBondContact O-CB 3.49Å; S170-Y174 PolarHBondContact O-N 3.23Å
171A94.2Very high92.2Very high25 Ų2571 Ų7121%0.20737%0.372CS..Hα-helixtrans-57.9-31.9174.600000113.6K27 F29 R175K27-A171 HydrophobicContact CB-CB 4.3Å; F29-A171 HydrophobicContact CE2-CB 3.86Å; A171-R175 WeakPolarHBondContact O-CG 3.43Å; A171-R175 PolarHBondContact O-N 3.47Å
172Q94.8Very high91.1Very high157 Ų15775.9 Ų75.973%0.73439%0.393SS*.Hα-helixtrans-72.3-46.7177.2-71.7-173.820.400111.1S170 Y174 R175 R176S170-Q172 PolarHBondContact O-N 3.48Å; S170-Q172 PolarHBondContact OG-N 3.31Å; Q172-Y174 VanDerWaalsContact C-N 3.35Å; Q172-Y174 PolarHBondContact O-N 2.6Å; Q172-R175 PolarHBondContact O-N 3.15Å; Q172-R176 PolarHBondContact O-N 3.35Å
173D95.7Very high89.5Confident85 Ų8581.6 Ų81.646%0.45543%0.428SS..Hα-helixtrans-64.3-42.4-179.5-59.5-43.7000111.3L169 S170 R175 R176 L177L169-D173 HydrophobicContact CB-CB 4.3Å; L169-D173 HydrophobicContact CD2-CB 4.41Å; S170-D173 WeakPolarHBondContact CB-OD2 3.41Å; S170-D173 PolarHBondContact O-N 3.41Å; S170-D173 PolarHBondContact OG-N 2.97Å; S170-D173 VanDerWaalsContact OG-N 3.15Å; S170-D173 PolarHBondContact OG-OD2 3.26Å; D173-R175 PolarHBondContact O-N 3.09Å; D173-R176 PolarHBondContact O-N 2.68Å; D173-L177 WeakPolarHBondContact O-CB 3.27Å; D173-L177 PolarHBondContact O-N 2.93Å
174Y95.8Very high87.2Confident13 Ų1389.9 Ų89.95%0.05148%0.477CS..Hα-helixtrans-59.5-46.5175.7174.7-96.3000112.2F29 V31 D40 S58 S170 Q172 R176 L177 K178F29-Y174 HydrophobicContact CB-CD1 4.48Å; F29-Y174 HydrophobicContact CB-CD2 3.44Å; F29-Y174 VanDerWaalsContact CB-CD2 3.44Å; F29-Y174 HydrophobicContact CB-CE2 4.08Å; F29-Y174 HydrophobicContact CB-CG 3.66Å; F29-Y174 AromaticContact CD1-CD1 3.8Å; F29-Y174 HydrophobicContact CD1-CD1 3.8Å; F29-Y174 AromaticContact CD1-CD2 3.94Å; F29-Y174 HydrophobicContact CD1-CD2 3.94Å; F29-Y174 AromaticContact CD1-CE1 3.86Å; F29-Y174 HydrophobicContact CD1-CE1 3.86Å; F29-Y174 AromaticContact CD1-CE2 3.98Å; F29-Y174 HydrophobicContact CD1-CE2 3.98Å; F29-Y174 AromaticContact CD1-CG 3.83Å; F29-Y174 HydrophobicContact CD1-CG 3.83Å; F29-Y174 AromaticContact CD1-CZ 3.94Å; F29-Y174 HydrophobicContact CD2-CD1 4.05Å; F29-Y174 HydrophobicContact CD2-CD2 4.45Å; F29-Y174 AromaticContact CD2-CG 3.81Å; F29-Y174 HydrophobicContact CD2-CG 3.81Å; F29-Y174 AromaticContact CE1-CD1 3.98Å; F29-Y174 HydrophobicContact CE1-CD1 3.98Å; F29-Y174 AromaticContact CE1-CE1 3.95Å; F29-Y174 HydrophobicContact CE1-CE1 3.95Å; F29-Y174 HydrophobicContact CE1-CG 4.45Å; F29-Y174 HydrophobicContact CE2-CD1 4.25Å; F29-Y174 HydrophobicContact CE2-CG 4.46Å; F29-Y174 AromaticContact CG-CD1 3.83Å; F29-Y174 HydrophobicContact CG-CD1 3.83Å; F29-Y174 AromaticContact CG-CD2 3.69Å; F29-Y174 HydrophobicContact CG-CD2 3.69Å; F29-Y174 HydrophobicContact CG-CE1 4.35Å; F29-Y174 HydrophobicContact CG-CE2 4.2Å; F29-Y174 AromaticContact CG-CG 3.47Å; F29-Y174 HydrophobicContact CG-CG 3.47Å; F29-Y174 VanDerWaalsContact CG-CG 3.47Å; F29-Y174 HydrophobicContact CZ-CD1 4.21Å; V31-Y174 HydrophobicContact CG2-CD2 3.78Å; V31-Y174 HydrophobicContact CG2-CE2 4.02Å; D40-Y174 HydrophobicContact CB-CE2 4.33Å; S58-Y174 WeakPolarHBondContact CB-OH 3.39Å; S58-Y174 PolarHBondContact N-OH 2.89Å; S58-Y174 PolarHBondContact OG-OH 3.22Å; S170-Y174 WeakPolarHBondContact O-CB 3.49Å; S170-Y174 PolarHBondContact O-N 3.23Å; Q172-Y174 VanDerWaalsContact C-N 3.35Å; Q172-Y174 PolarHBondContact O-N 2.6Å; Y174-R176 VanDerWaalsContact C-N 3.34Å; Y174-R176 PolarHBondContact O-N 3.2Å; Y174-L177 PolarHBondContact O-N 3.25Å; Y174-K178 HydrophobicContact CD2-CG 4.41Å; Y174-K178 HydrophobicContact CE1-CG 4.1Å; Y174-K178 HydrophobicContact CE2-CD 4.45Å; Y174-K178 HydrophobicContact CE2-CG 3.96Å; Y174-K178 WeakPolarHBondContact O-CG 3.3Å; Y174-K178 PolarHBondContact O-N 2.91Å
175R93.8Very high86.8Confident166 Ų16685.8 Ų85.863%0.62646%0.46SS*.Hα-helixtrans-61.6-43.7176-76.7178.9-164.2157.13.7111.6A171 Q172 D173 L177 K178 L179A171-R175 WeakPolarHBondContact O-CG 3.43Å; A171-R175 PolarHBondContact O-N 3.47Å; Q172-R175 PolarHBondContact O-N 3.15Å; D173-R175 PolarHBondContact O-N 3.09Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 2.9Å; R175-K178 PolarHBondContact O-N 2.95Å; R175-L179 WeakPolarHBondContact O-CB 3.3Å; R175-L179 VanDerWaalsContact O-CG 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.18Å; R175-L179 PolarHBondContact O-N 3.28Å
176R94.3Very high86.5Confident185 Ų18587 Ų8770%0.69846%0.462SS*.Hα-helixtrans-59.8-45178.4-175.1177.9-178.7147.21.8111Q172 D173 Y174 L179 L180Q172-R176 PolarHBondContact O-N 3.35Å; D173-R176 PolarHBondContact O-N 2.68Å; Y174-R176 VanDerWaalsContact C-N 3.34Å; Y174-R176 PolarHBondContact O-N 3.2Å; R176-L179 PolarHBondContact O-N 3.43Å; R176-L180 HydrophobicContact CG-CD1 4.43Å; R176-L180 WeakPolarHBondContact O-CG 3.41Å; R176-L180 PolarHBondContact O-N 2.86Å
177L92.6Very high86.2Confident61 Ų6191 Ų9132%0.31948%0.483SS..Hα-helixtrans-61.5-46.8177.8-171.9146.4000111.4V31 L169 D173 Y174 R175 L179 L180 D181V31-L177 HydrophobicContact CG1-CD2 4.15Å; V31-L177 HydrophobicContact CG2-CD2 4.34Å; L169-L177 HydrophobicContact CD1-CD1 4.14Å; D173-L177 WeakPolarHBondContact O-CB 3.27Å; D173-L177 PolarHBondContact O-N 2.93Å; Y174-L177 PolarHBondContact O-N 3.25Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 2.9Å; L177-L179 PolarHBondContact O-N 3.12Å; L177-L180 WeakPolarHBondContact O-CB 3.34Å; L177-L180 PolarHBondContact O-N 3Å; L177-D181 PolarHBondContact O-N 3.14Å; L177-D181 VanDerWaalsContact O-N 3.08Å
178K90.3Very high85.8Confident23 Ų2392.8 Ų92.810%0.147%0.474CS..Hα-helixtrans-71.6-26.5-179.2-64.6-65.1167.1-175.50114.6N38 D40 Y174 R175 D181 N182N38-K178 PolarHBondContact OD1-NZ 3.27Å; D40-K178 IonicContact OD1-NZ 3.86Å; D40-K178 WeakPolarHBondContact OD2-CE 3.44Å; D40-K178 IonicContact OD2-NZ 2.79Å; D40-K178 PolarHBondContact OD2-NZ 3.28Å; Y174-K178 HydrophobicContact CD2-CG 4.41Å; Y174-K178 HydrophobicContact CE1-CG 4.1Å; Y174-K178 HydrophobicContact CE2-CD 4.45Å; Y174-K178 HydrophobicContact CE2-CG 3.96Å; Y174-K178 WeakPolarHBondContact O-CG 3.3Å; Y174-K178 PolarHBondContact O-N 2.91Å; R175-K178 PolarHBondContact O-N 2.95Å; K178-D181 IonicContact NZ-OD2 3.72Å; K178-N182 PolarHBondContact O-N 2.8Å; K178-N182 PolarHBondContact O-ND2 3.35Å
179L84.8Confident85.3Confident117 Ų11797.6 Ų97.661%0.61350%0.499SS*.Hα-helixtrans-67.4-38.8170.2-74.3168.8000111.5R175 R176 L177 N182 T183R175-L179 WeakPolarHBondContact O-CB 3.3Å; R175-L179 VanDerWaalsContact O-CG 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.18Å; R175-L179 PolarHBondContact O-N 3.28Å; R176-L179 PolarHBondContact O-N 3.43Å; L177-L179 PolarHBondContact O-N 3.12Å; L179-N182 PolarHBondContact O-N 3.46Å; L179-T183 PolarHBondContact O-OG1 3.45Å
180L81.8Confident84.6Confident109 Ų109100.7 Ų100.757%0.57151%0.514SS*.Hα-helixtrans-66.9-42.3177.3-67.9165.9000111.4R176 L177 N182 T183R176-L180 HydrophobicContact CG-CD1 4.43Å; R176-L180 WeakPolarHBondContact O-CG 3.41Å; R176-L180 PolarHBondContact O-N 2.86Å; L177-L180 WeakPolarHBondContact O-CB 3.34Å; L177-L180 PolarHBondContact O-N 3Å; L180-N182 PolarHBondContact O-N 2.88Å; L180-T183 PolarHBondContact O-N 3.3Å; L180-T183 VanDerWaalsContact O-N 3.09Å
181D77.9Confident83.8Confident85 Ų85105.1 Ų105.146%0.45553%0.531SS..Hα-helixtrans-59.7-31176.7-80.1-26.6000113.3L177 K178 T183L177-D181 PolarHBondContact O-N 3.14Å; L177-D181 VanDerWaalsContact O-N 3.08Å; K178-D181 IonicContact NZ-OD2 3.72Å; D181-T183 VanDerWaalsContact C-N 3.3Å
182N70.6Confident83Confident138 Ų138111.2 Ų111.274%0.73856%0.556SS**THydrogen-bonded Turntrans-81.1-8.2179.5-73.9-16.8000113.8K178 L179 L180K178-N182 PolarHBondContact O-N 2.8Å; K178-N182 PolarHBondContact O-ND2 3.35Å; L179-N182 PolarHBondContact O-N 3.46Å; L180-N182 PolarHBondContact O-N 2.88Å
183T61.3Low82Confident120 Ų120107.4 Ų107.474%0.73654%0.541SS*.THydrogen-bonded Turntrans-100.1-2-175.3-44.20000112.4L179 L180 D181L179-T183 PolarHBondContact O-OG1 3.45Å; L180-T183 PolarHBondContact O-N 3.3Å; L180-T183 VanDerWaalsContact O-N 3.09Å; D181-T183 VanDerWaalsContact C-N 3.3Å
184V44.8Very low80.7Confident187 Ų187109.5 Ų109.5100%1.13355%0.549SS*.  trans-116.10-178.1-172.90000110

Retrieved 184 of 184 residues in 98.8 ms (Link to these results)

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