G4V700_SCHMA Loading...

Mitochondrial ribosomal protein S34

AlphaFold DB , UniProt , Accession G4V700, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 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
1M43.7Very low54.9Low236 Ų236146.4 Ų146.4100%1.16374%0.741SS**  0131.10-75.8-172.1140.600108.4
2P47Very low55.8Low119 Ų119144.7 Ų144.777%0.77373%0.734SS**  trans-66.1137.8176.427-31.1000110.1I4P2-I4 PolarHBondContact O-N 3.22Å
3K57.9Low57Low173 Ų173144.2 Ų144.275%0.75273%0.727SS**  trans-74.7105177.4-159.2-174.2-175.7-155.60107.7E5K3-E5 HydrophobicContact CD-CG 4.35Å; K3-E5 WeakPolarHBondContact CD-OE1 3.26Å; K3-E5 VanDerWaalsContact CE-OE1 3.26Å; K3-E5 WeakPolarHBondContact CE-OE1 3.49Å; K3-E5 HydrophobicContact CG-CG 4.3Å; K3-E5 IonicContact NZ-OE1 2.72Å; K3-E5 PolarHBondContact NZ-OE1 3.34Å; K3-E5 PolarHBondContact O-N 2.72Å
4I65Low58.6Low123 Ų123138 Ų13863%0.63169%0.693SS**  trans-84102.2174.7-58.6172.5000106.7P2 Y6P2-I4 PolarHBondContact O-N 3.22Å; I4-Y6 HydrophobicContact CG2-CD2 4.11Å; I4-Y6 HydrophobicContact CG2-CE2 3.69Å
5E53.2Low60Low123 Ų123141.2 Ų141.258%0.57570%0.696SS**  trans-92.4112.6171.2-68.9-174.7174.300108.8K3 I7K3-E5 HydrophobicContact CD-CG 4.35Å; K3-E5 WeakPolarHBondContact CD-OE1 3.26Å; K3-E5 VanDerWaalsContact CE-OE1 3.26Å; K3-E5 WeakPolarHBondContact CE-OE1 3.49Å; K3-E5 HydrophobicContact CG-CG 4.3Å; K3-E5 IonicContact NZ-OE1 2.72Å; K3-E5 PolarHBondContact NZ-OE1 3.34Å; K3-E5 PolarHBondContact O-N 2.72Å; E5-I7 PolarHBondContact O-N 3.17Å; E5-I7 VanDerWaalsContact O-N 3.17Å
6Y53.7Low61.6Low205 Ų205133.9 Ų133.980%0.80467%0.668SS**  trans-76.9100.6172.5-73.2-85.7000109I4 G8I4-Y6 HydrophobicContact CG2-CD2 4.11Å; I4-Y6 HydrophobicContact CG2-CE2 3.69Å; Y6-G8 PolarHBondContact O-N 3.5Å
7I58.4Low63.3Low165 Ų165134.1 Ų134.185%0.84666%0.663SS**  trans-86.8109.3174.8-57.9174000108.3E5E5-I7 PolarHBondContact O-N 3.17Å; E5-I7 VanDerWaalsContact O-N 3.17Å
8G55.3Low64.8Low59 Ų59127.9 Ų127.961%0.60863%0.633SS**SBendtrans135.6162.5177.400000112.5Y6 P10Y6-G8 PolarHBondContact O-N 3.5Å; G8-P10 WeakPolarHBondContact O-CD 3.38Å
9R56Low66.2Low247 Ų247121.2 Ų121.293%0.93260%0.6SS**  trans-76.5118168-68.1-174.4-175.6-141.70.6107.2S11R9-S11 PolarHBondContact O-N 3.25Å
10P56.6Low67.5Low103 Ų103115.3 Ų115.367%0.66957%0.571SS**  trans-55.2132.416823.1-30.7000107.6G8 L12G8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-L12 VanDerWaalsContact C-N 3.32Å; P10-L12 PolarHBondContact O-N 3.01Å
11S57.6Low68.6Low57 Ų57114 Ų11440%0.39956%0.564SS.*  trans-63.799.5170.947.90000107.6R9 H13 F14R9-S11 PolarHBondContact O-N 3.25Å; S11-H13 PolarHBondContact O-N 3.09Å; S11-F14 PolarHBondContact O-N 3.48Å; S11-F14 PolarHBondContact OG-O 3.06Å
12L65.2Low70.9Confident126 Ų126103.4 Ų103.466%0.6651%0.512SS*.THydrogen-bonded Turntrans-58.1-11.7-178.6-71.1163.8000113.4P10 Y15P10-L12 VanDerWaalsContact C-N 3.32Å; P10-L12 PolarHBondContact O-N 3.01Å; L12-Y15 PolarHBondContact O-OH 3.22Å
13H71.8Confident73Confident139 Ų13998 Ų9864%0.64448%0.476SS*.THydrogen-bonded Turntrans-118.8-11.5-170.7-54.1-54.5000114.5S11 T39S11-H13 PolarHBondContact O-N 3.09Å; H13-T39 WeakPolarHBondContact O-CG2 3.47Å
14F78.6Confident74.5Confident57 Ų5794.1 Ų94.125%0.2546%0.46CS..  trans-120.4121.9-175.3-55.3-56.2000110.2S11 T39 E90 P91 D92S11-F14 PolarHBondContact O-N 3.48Å; S11-F14 PolarHBondContact OG-O 3.06Å; F14-T39 HydrophobicContact CD1-CG2 3.8Å; F14-T39 HydrophobicContact CE1-CG2 4Å; F14-E90 HydrophobicContact CE1-CB 4.24Å; F14-E90 HydrophobicContact CE1-CG 4.26Å; F14-E90 HydrophobicContact CE2-CB 4.45Å; F14-E90 HydrophobicContact CE2-CG 4.15Å; F14-E90 HydrophobicContact CZ-CB 4.2Å; F14-E90 VanDerWaalsContact CZ-CD 3.49Å; F14-E90 HydrophobicContact CZ-CG 3.81Å; F14-P91 HydrophobicContact CB-CG 4.09Å; F14-P91 WeakPolarHBondContact CB-O 3.35Å; F14-D92 HydrophobicContact CB-CB 4.4Å; F14-D92 HydrophobicContact CD1-CB 3.66Å; F14-D92 HydrophobicContact CE1-CB 4.32Å; F14-D92 HydrophobicContact CG-CB 4.34Å
15Y80.4Confident75.8Confident186 Ų18695 Ų9573%0.72947%0.465SS*.  trans-117.47.4-174.1-63.8-85.6000112.9L12L12-Y15 PolarHBondContact O-OH 3.22Å
16G85.8Confident77.6Confident24 Ų2491.2 Ų91.225%0.24745%0.449CS..SBendtrans-100.1-165-175.600000113.9P91G16-P91 CarbonylContact C-O 3.44Å; G16-P91 VanDerWaalsContact CA-O 3.26Å; G16-P91 WeakPolarHBondContact CA-O 3.36Å; G16-P91 PolarHBondContact N-O 2.86Å; G16-P91 VanDerWaalsContact O-O 3.1Å
17K90.1Very high79.3Confident137 Ų13790.7 Ų90.760%0.59645%0.451SS*.BIsolated β-bridgetrans-106.2169171.6-63-175.1179.6-176.50110.3I22 P91 D92 W93K17-I22 HydrophobicContact CB-CD1 4.17Å; K17-I22 HydrophobicContact CB-CG1 4.15Å; K17-P91 CarbonylContact O-C 3.47Å; K17-P91 WeakPolarHBondContact O-CA 3.39Å; K17-D92 PolarHBondContact O-N 3.16Å; K17-W93 PolarHBondContact N-O 2.75Å; K17-W93 WeakPolarHBondContact O-CB 2.98Å; K17-W93 PolarHBondContact O-N 2.86Å; K17-W93 VanDerWaalsContact O-N 3.08Å
18L90.6Very high80.8Confident24 Ų2489.6 Ų89.613%0.12645%0.447CS..  trans-70.7136.7170-68.7170.3000110.3S20 E21 I22 V65 H89 P91L18-S20 PolarHBondContact O-N 3.33Å; L18-E21 HydrophobicContact CB-CB 4.24Å; L18-E21 HydrophobicContact CB-CG 3.91Å; L18-E21 HydrophobicContact CD1-CG 4.29Å; L18-E21 PolarHBondContact O-N 2.89Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 3.36Å; L18-I22 VanDerWaalsContact O-N 3.12Å; L18-V65 HydrophobicContact CD1-CB 4.3Å; L18-V65 HydrophobicContact CD1-CG1 3.81Å; L18-V65 HydrophobicContact CD1-CG2 3.99Å; L18-V65 HydrophobicContact CD2-CG1 3.71Å; L18-V65 HydrophobicContact CG-CG1 4.38Å; L18-H89 WeakPolarHBondContact CD2-O 3.23Å; L18-P91 HydrophobicContact CD2-CB 4.02Å; L18-P91 HydrophobicContact CG-CB 4.31Å
19L91.7Very high82.4Confident0 Ų092.7 Ų92.70%044%0.44CS..Hα-helixtrans-63-33.6177.9-170.665.3000111.8I22 A23 V35 L52 A69 L85 T88 W93L19-I22 PolarHBondContact O-N 3.01Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.14Å; L19-A23 PolarHBondContact O-N 2.77Å; L19-V35 HydrophobicContact CD1-CG1 4.37Å; L19-V35 HydrophobicContact CD1-CG2 4.18Å; L19-L52 HydrophobicContact CD1-CD1 4.2Å; L19-L52 HydrophobicContact CD1-CD2 4.36Å; L19-A69 HydrophobicContact CD2-CB 3.47Å; L19-A69 VanDerWaalsContact CD2-CB 3.47Å; L19-L85 HydrophobicContact CD2-CD2 4.14Å; L19-T88 HydrophobicContact CD2-CG2 3.71Å; L19-W93 HydrophobicContact CB-CB 4.42Å; L19-W93 HydrophobicContact CB-CD2 4.18Å; L19-W93 HydrophobicContact CB-CG 3.85Å; L19-W93 HydrophobicContact CD1-CB 4.24Å; L19-W93 HydrophobicContact CD1-CD2 3.95Å; L19-W93 HydrophobicContact CD1-CE3 4.05Å; L19-W93 HydrophobicContact CD1-CG 4.04Å; L19-W93 HydrophobicContact CD2-CD2 4.33Å; L19-W93 HydrophobicContact CD2-CZ2 4.28Å; L19-W93 HydrophobicContact CG-CD2 4.39Å; L19-W93 HydrophobicContact CG-CG 4.44Å
20S90.7Very high84Confident3 Ų381 Ų812%0.02140%0.396CS..Hα-helixtrans-61.4-43.9175.152.40000112.1L18 A23 K24 D64 V65L18-S20 PolarHBondContact O-N 3.33Å; S20-A23 PolarHBondContact O-N 2.64Å; S20-K24 WeakPolarHBondContact O-CB 3.43Å; S20-K24 VanDerWaalsContact O-CG 3.25Å; S20-K24 WeakPolarHBondContact O-CG 3.42Å; S20-K24 PolarHBondContact O-N 3.49Å; S20-D64 PolarHBondContact OG-O 3.16Å; S20-V65 VanDerWaalsContact CB-O 3.23Å; S20-V65 WeakPolarHBondContact CB-O 3.13Å; S20-V65 PolarHBondContact OG-O 3.2Å
21E90.5Very high85.7Confident89 Ų8982.8 Ų82.842%0.41639%0.394SS..Hα-helixtrans-64.1-45.4176-69.3177.6169.600111.7L18 A23 K24 N25L18-E21 HydrophobicContact CB-CB 4.24Å; L18-E21 HydrophobicContact CB-CG 3.91Å; L18-E21 HydrophobicContact CD1-CG 4.29Å; L18-E21 PolarHBondContact O-N 2.89Å; E21-A23 VanDerWaalsContact C-N 3.31Å; E21-A23 PolarHBondContact O-N 3.43Å; E21-K24 PolarHBondContact O-N 3.44Å; E21-N25 VanDerWaalsContact O-CG 3.31Å; E21-N25 PolarHBondContact O-N 3.05Å; E21-N25 PolarHBondContact O-ND2 2.64Å; E21-N25 VanDerWaalsContact O-ND2 3.16Å
22I92.1Very high87.3Confident13 Ų1382.3 Ų82.37%0.06740%0.398CS..Hα-helixtrans-58.3-47.4175.6-65.1170.7000110K17 L18 L19 L26 W93 L95K17-I22 HydrophobicContact CB-CD1 4.17Å; K17-I22 HydrophobicContact CB-CG1 4.15Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 3.36Å; L18-I22 VanDerWaalsContact O-N 3.12Å; L19-I22 PolarHBondContact O-N 3.01Å; I22-L26 HydrophobicContact CG2-CD1 3.91Å; I22-L26 WeakPolarHBondContact O-CD1 3.34Å; I22-L26 WeakPolarHBondContact O-CG 3.25Å; I22-W93 HydrophobicContact CD1-CB 3.84Å; I22-L95 HydrophobicContact CD1-CB 4.5Å; I22-L95 HydrophobicContact CG2-CB 3.98Å; I22-L95 HydrophobicContact CG2-CD1 4.14Å; I22-L95 HydrophobicContact CG2-CD2 4.46Å; I22-L95 HydrophobicContact CG2-CG 4.42Å
23A91.8Very high88.7Confident4 Ų481.9 Ų81.93%0.03339%0.387CS..Hα-helixtrans-66.8-40.5-17700000112.8L19 S20 E21 L26 R29 V55L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.14Å; L19-A23 PolarHBondContact O-N 2.77Å; S20-A23 PolarHBondContact O-N 2.64Å; E21-A23 VanDerWaalsContact C-N 3.31Å; E21-A23 PolarHBondContact O-N 3.43Å; A23-L26 PolarHBondContact O-N 2.95Å; A23-R29 WeakPolarHBondContact O-CA 3.49Å; A23-V55 HydrophobicContact CB-CB 4.12Å; A23-V55 HydrophobicContact CB-CG1 3.73Å; A23-V55 HydrophobicContact CB-CG2 4.29Å
24K89.9Confident89.8Confident93 Ų9376 Ų7640%0.40436%0.361SS..Hα-helixtrans-64.3-39.5178.9-74.6173.5-154.5164.70112.8S20 E21 L26 D64S20-K24 WeakPolarHBondContact O-CB 3.43Å; S20-K24 VanDerWaalsContact O-CG 3.25Å; S20-K24 WeakPolarHBondContact O-CG 3.42Å; S20-K24 PolarHBondContact O-N 3.49Å; E21-K24 PolarHBondContact O-N 3.44Å; K24-L26 PolarHBondContact O-N 3.45Å; K24-D64 WeakPolarHBondContact CE-OD1 3.05Å; K24-D64 WeakPolarHBondContact CE-OD2 3.14Å; K24-D64 PolarHBondContact NZ-O 2.71Å; K24-D64 IonicContact NZ-OD1 3.01Å; K24-D64 PolarHBondContact NZ-OD1 2.94Å; K24-D64 IonicContact NZ-OD2 2.64Å; K24-D64 PolarHBondContact NZ-OD2 2.94Å
25N91.4Very high90.5Very high140 Ų14073.2 Ų73.275%0.74935%0.349SS*.THydrogen-bonded Turntrans-76.3-8.6-175.8-68.6-24000113.4E21E21-N25 VanDerWaalsContact O-CG 3.31Å; E21-N25 PolarHBondContact O-N 3.05Å; E21-N25 PolarHBondContact O-ND2 2.64Å; E21-N25 VanDerWaalsContact O-ND2 3.16Å
26L91.1Very high91.2Very high45 Ų4564.5 Ų64.524%0.23632%0.315CS..SBendtrans-109.7143.8-177-69.1172.9000112.1I22 A23 K24 R29 A30 R33 L95I22-L26 HydrophobicContact CG2-CD1 3.91Å; I22-L26 WeakPolarHBondContact O-CD1 3.34Å; I22-L26 WeakPolarHBondContact O-CG 3.25Å; A23-L26 PolarHBondContact O-N 2.95Å; K24-L26 PolarHBondContact O-N 3.45Å; L26-R29 PolarHBondContact O-N 3.16Å; L26-A30 HydrophobicContact CB-CB 3.94Å; L26-A30 HydrophobicContact CD1-CB 3.45Å; L26-A30 VanDerWaalsContact CD1-CB 3.45Å; L26-A30 HydrophobicContact CG-CB 4.35Å; L26-R33 HydrophobicContact CD1-CG 4.29Å; L26-L95 HydrophobicContact CD1-CD1 3.86Å; L26-L95 HydrophobicContact CD1-CD2 3.74Å; L26-L95 HydrophobicContact CD1-CG 4.44Å; L26-L95 HydrophobicContact CD2-CD2 4.22Å; L26-L95 HydrophobicContact CG-CD2 4.46Å
27K89Confident91.6Very high193 Ų19363.7 Ų63.784%0.83931%0.305SS*.G310 helixtrans-54.7143.5172.7-67.4-173.2179.2-177.60110.9R29 A30K27-R29 PolarHBondContact O-N 3.28Å; K27-R29 VanDerWaalsContact O-N 3.16Å; K27-A30 PolarHBondContact O-N 3.07Å
28N90.7Very high91.6Very high143 Ų14359.2 Ų59.277%0.76529%0.286SS*.G310 helixtrans53.332.4180-59.6-23.9000113.8A30 K31N28-A30 VanDerWaalsContact C-N 3.3Å; N28-A30 PolarHBondContact O-N 2.97Å; N28-K31 HydrophobicContact CB-CB 4.36Å; N28-K31 WeakPolarHBondContact O-CB 3.16Å; N28-K31 PolarHBondContact O-N 3.49Å; N28-K31 VanDerWaalsContact O-N 3.16Å
29R89.1Confident91.6Very high124 Ų12460.3 Ų60.347%0.46829%0.294SS..G310 helixtrans52.744-177.6-60.9-172.2179.1163.20.1113.8A23 L26 K27 K31 V55 P57A23-R29 WeakPolarHBondContact O-CA 3.49Å; L26-R29 PolarHBondContact O-N 3.16Å; K27-R29 PolarHBondContact O-N 3.28Å; K27-R29 VanDerWaalsContact O-N 3.16Å; R29-K31 PolarHBondContact O-N 3.42Å; R29-V55 HydrophobicContact CB-CB 4.38Å; R29-V55 WeakPolarHBondContact CD-O 3.33Å; R29-V55 PolarHBondContact NH1-O 2.81Å; R29-V55 VanDerWaalsContact NH1-O 3.09Å; R29-P57 VanDerWaalsContact CZ-CD 3.44Å
30A88.8Confident91.6Very high1 Ų161.3 Ų61.31%0.00830%0.298CS..G310 helixtrans61.620.618000000115.5L26 K27 N28 G32 R33 L52L26-A30 HydrophobicContact CB-CB 3.94Å; L26-A30 HydrophobicContact CD1-CB 3.45Å; L26-A30 VanDerWaalsContact CD1-CB 3.45Å; L26-A30 HydrophobicContact CG-CB 4.35Å; K27-A30 PolarHBondContact O-N 3.07Å; N28-A30 VanDerWaalsContact C-N 3.3Å; N28-A30 PolarHBondContact O-N 2.97Å; A30-G32 PolarHBondContact O-N 3.08Å; A30-R33 HydrophobicContact CB-CB 4.32Å; A30-R33 HydrophobicContact CB-CG 4.34Å; A30-R33 WeakPolarHBondContact O-CB 3.49Å; A30-R33 PolarHBondContact O-N 2.87Å; A30-L52 HydrophobicContact CB-CD1 3.76Å; A30-L52 WeakPolarHBondContact O-CB 3.39Å
31K92.3Very high91.5Very high141 Ų14163.9 Ų63.961%0.61331%0.314SS*.THydrogen-bonded Turntrans-56.6130.1175.9-176.8172.8-176.7-175.30111.3N28 R29 R33 K53N28-K31 HydrophobicContact CB-CB 4.36Å; N28-K31 WeakPolarHBondContact O-CB 3.16Å; N28-K31 PolarHBondContact O-N 3.49Å; N28-K31 VanDerWaalsContact O-N 3.16Å; R29-K31 PolarHBondContact O-N 3.42Å; K31-R33 VanDerWaalsContact C-N 3.27Å; K31-R33 PolarHBondContact O-N 3.31Å; K31-K53 WeakPolarHBondContact CG-O 3.32Å
32G92.2Very high91.4Very high47 Ų4763.9 Ų63.949%0.48533%0.329SS..THydrogen-bonded Turntrans82.2-7-178.100000114.8A30 L52A30-G32 PolarHBondContact O-N 3.08Å; G32-L52 WeakPolarHBondContact CA-O 3.26Å; G32-L52 PolarHBondContact N-O 3.19Å
33R93.3Very high91.3Very high116 Ų11671 Ų7144%0.43836%0.359SS..  trans-79.6148.8178.5-62-65.1-174.7165.2-1.1111.2L26 A30 K31 L52 L95L26-R33 HydrophobicContact CD1-CG 4.29Å; A30-R33 HydrophobicContact CB-CB 4.32Å; A30-R33 HydrophobicContact CB-CG 4.34Å; A30-R33 WeakPolarHBondContact O-CB 3.49Å; A30-R33 PolarHBondContact O-N 2.87Å; K31-R33 VanDerWaalsContact C-N 3.27Å; K31-R33 PolarHBondContact O-N 3.31Å; R33-L52 PolarHBondContact O-N 3.3Å; R33-L95 HydrophobicContact CB-CD1 3.9Å; R33-L95 HydrophobicContact CG-CD1 4.45Å
34V94.8Very high91.2Very high15 Ų1572.9 Ų72.99%0.09137%0.367CS..EExtended strand (participates in β ladder)trans-96.3128.6177.3-170.60000109.2Y49 Y50 I51 L96 A101V34-Y49 HydrophobicContact CG1-CD2 3.64Å; V34-Y49 HydrophobicContact CG1-CG 3.99Å; V34-Y50 CarbonylContact C-O 3.46Å; V34-Y50 VanDerWaalsContact CA-O 3.29Å; V34-Y50 WeakPolarHBondContact CA-O 3.45Å; V34-I51 HydrophobicContact CG2-CG1 4.29Å; V34-L96 HydrophobicContact CB-CD1 4.47Å; V34-L96 HydrophobicContact CG1-CD1 3.94Å; V34-L96 PolarHBondContact O-N 2.87Å; V34-L96 VanDerWaalsContact O-N 3.13Å; V34-A101 HydrophobicContact CB-CB 3.76Å; V34-A101 HydrophobicContact CG1-CB 4.45Å; V34-A101 HydrophobicContact CG2-CB 3.74Å
35V95.2Very high91.1Very high0 Ų078.6 Ų78.60%039%0.392CS..EExtended strand (participates in β ladder)trans-123.9151.7174.8-59.50000109.5L19 Y50 L52 W93 R94 L95L19-V35 HydrophobicContact CD1-CG1 4.37Å; L19-V35 HydrophobicContact CD1-CG2 4.18Å; V35-Y50 PolarHBondContact N-O 3.12Å; V35-Y50 PolarHBondContact O-N 3.36Å; V35-L52 HydrophobicContact CG1-CD1 3.7Å; V35-L52 HydrophobicContact CG1-CG 4.2Å; V35-L52 HydrophobicContact CG2-CD1 4.21Å; V35-L52 HydrophobicContact CG2-CD2 3.9Å; V35-L52 HydrophobicContact CG2-CG 3.94Å; V35-W93 HydrophobicContact CB-CE3 4.35Å; V35-W93 HydrophobicContact CG2-CE3 3.76Å; V35-W93 HydrophobicContact CG2-CZ3 3.92Å; V35-R94 VanDerWaalsContact CA-O 3.31Å; V35-R94 WeakPolarHBondContact CA-O 3.48Å; V35-L95 HydrophobicContact CG1-CD1 4.03Å
36I94.5Very high91Very high2 Ų273.8 Ų73.81%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-123.1157.8174.961.1164.9000109.9T41 C48 W93 R94 L96I36-T41 HydrophobicContact CD1-CG2 4.49Å; I36-C48 WeakPolarHBondContact CG2-O 3.36Å; I36-W93 WeakPolarHBondContact O-CA 3.49Å; I36-R94 HydrophobicContact CD1-CB 4.5Å; I36-R94 HydrophobicContact CG1-CB 3.97Å; I36-R94 PolarHBondContact N-O 3.06Å; I36-R94 PolarHBondContact O-N 2.89Å; I36-L96 HydrophobicContact CD1-CD2 3.92Å; I36-L96 HydrophobicContact CG1-CD2 4.09Å; I36-L96 HydrophobicContact CG1-CG 4.28Å; I36-L96 HydrophobicContact CG2-CD1 3.53Å; I36-L96 HydrophobicContact CG2-CD2 4.33Å; I36-L96 HydrophobicContact CG2-CG 3.95Å
37K93.3Very high91Very high8 Ų872 Ų724%0.03536%0.356CS..EExtended strand (participates in β ladder)trans-93.9129162.8-78.1-165.5177-164.30109.1T39 E40 T41 Y50 P86 E90 D92 W93K37-T39 VanDerWaalsContact C-N 3.33Å; K37-E40 HydrophobicContact CB-CB 4Å; K37-E40 HydrophobicContact CB-CG 3.87Å; K37-E40 HydrophobicContact CD-CG 4.15Å; K37-E40 PolarHBondContact O-N 3.43Å; K37-T41 WeakPolarHBondContact O-CB 3.33Å; K37-T41 PolarHBondContact O-N 3.21Å; K37-T41 PolarHBondContact O-OG1 3.16Å; K37-Y50 HydrophobicContact CG-CE2 4.23Å; K37-P86 PolarHBondContact NZ-O 3.43Å; K37-E90 IonicContact NZ-OE2 3.35Å; K37-D92 WeakPolarHBondContact CA-O 3.29Å; K37-D92 WeakPolarHBondContact CB-OD2 3.34Å; K37-W93 HydrophobicContact CD-CH2 4.27Å; K37-W93 HydrophobicContact CD-CZ2 4.3Å; K37-W93 HydrophobicContact CG-CD2 4.16Å; K37-W93 HydrophobicContact CG-CE3 3.94Å; K37-W93 HydrophobicContact CG-CH2 4.02Å; K37-W93 HydrophobicContact CG-CZ2 4.24Å; K37-W93 HydrophobicContact CG-CZ3 3.86Å
38E90.9Very high91.2Very high43 Ų4363.1 Ų63.120%0.20132%0.318CS..Hα-helixtrans-65.3-39.5176.3-71.9-58.9149.400110.9E40 T41 A42 D92 R94E38-E40 VanDerWaalsContact C-N 3.35Å; E38-E40 PolarHBondContact O-N 3.31Å; E38-T41 PolarHBondContact O-N 3.18Å; E38-A42 VanDerWaalsContact O-CB 3.25Å; E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 2.79Å; E38-D92 PolarHBondContact N-O 2.95Å; E38-R94 HydrophobicContact CG-CB 4.43Å; E38-R94 WeakPolarHBondContact OE1-CB 3.49Å; E38-R94 WeakPolarHBondContact OE1-CD 3.37Å; E38-R94 IonicContact OE1-CZ 3.52Å; E38-R94 IonicContact OE1-NE 3.16Å; E38-R94 PolarHBondContact OE1-NE 3.11Å; E38-R94 IonicContact OE1-NH2 3.29Å; E38-R94 PolarHBondContact OE1-NH2 2.88Å
39T90.6Very high91.4Very high47 Ų4756.8 Ų56.829%0.28828%0.284SS..Hα-helixtrans-60.7-40.8175.9580000113.4H13 F14 K37 K43 D92H13-T39 WeakPolarHBondContact O-CG2 3.47Å; F14-T39 HydrophobicContact CD1-CG2 3.8Å; F14-T39 HydrophobicContact CE1-CG2 4Å; K37-T39 VanDerWaalsContact C-N 3.33Å; T39-K43 VanDerWaalsContact O-CB 3.24Å; T39-K43 WeakPolarHBondContact O-CB 3.03Å; T39-K43 PolarHBondContact O-N 3.09Å; T39-K43 VanDerWaalsContact O-N 3.1Å; T39-D92 VanDerWaalsContact CB-OD2 3.29Å; T39-D92 WeakPolarHBondContact CB-OD2 3.46Å; T39-D92 WeakPolarHBondContact CG2-OD1 3.4Å; T39-D92 WeakPolarHBondContact CG2-OD2 3.34Å; T39-D92 PolarHBondContact N-OD1 2.92Å; T39-D92 VanDerWaalsContact N-OD1 3.15Å; T39-D92 PolarHBondContact N-OD2 3.32Å; T39-D92 PolarHBondContact OG1-OD2 3.44Å
40E90.8Very high91.7Very high20 Ų2050.9 Ų50.99%0.09326%0.261CS..Hα-helixtrans-69.8-41.5179-67-17216100110.8K37 E38 K43 F44 C48 Y50 R73 F75K37-E40 HydrophobicContact CB-CB 4Å; K37-E40 HydrophobicContact CB-CG 3.87Å; K37-E40 HydrophobicContact CD-CG 4.15Å; K37-E40 PolarHBondContact O-N 3.43Å; E38-E40 VanDerWaalsContact C-N 3.35Å; E38-E40 PolarHBondContact O-N 3.31Å; E40-K43 PolarHBondContact O-N 3.07Å; E40-F44 WeakPolarHBondContact O-CD2 3.29Å; E40-F44 PolarHBondContact O-N 3.18Å; E40-C48 HydrophobicContact CB-CB 4.18Å; E40-Y50 PolarHBondContact OE1-OH 3.27Å; E40-Y50 WeakPolarHBondContact OE2-CE2 3.25Å; E40-Y50 PolarHBondContact OE2-OH 2.78Å; E40-Y50 VanDerWaalsContact OE2-OH 3.09Å; E40-R73 IonicContact OE1-NH2 2.71Å; E40-R73 PolarHBondContact OE1-NH2 3.09Å; E40-F75 HydrophobicContact CG-CE2 4.31Å
41T89.3Confident92Very high57 Ų5752.6 Ų52.635%0.3527%0.27SS..Hα-helixtrans-70.3-32-179.8-55.50000112.1I36 K37 E38 F44I36-T41 HydrophobicContact CD1-CG2 4.49Å; K37-T41 WeakPolarHBondContact O-CB 3.33Å; K37-T41 PolarHBondContact O-N 3.21Å; K37-T41 PolarHBondContact O-OG1 3.16Å; E38-T41 PolarHBondContact O-N 3.18Å; T41-F44 VanDerWaalsContact O-O 3.1Å
42A88.8Confident92.1Very high89 Ų8945.9 Ų45.974%0.73624%0.241SC*.Hα-helixtrans-74-33.2174.100000112.4E38E38-A42 VanDerWaalsContact O-CB 3.25Å; E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 2.79Å
43K89.5Confident92.3Very high162 Ų16248 Ų4870%0.70424%0.237SC*.Hα-helixtrans-81.8-35.8-176.8-174.9173.4179.7177.10113.3T39 E40T39-K43 VanDerWaalsContact O-CB 3.24Å; T39-K43 WeakPolarHBondContact O-CB 3.03Å; T39-K43 PolarHBondContact O-N 3.09Å; T39-K43 VanDerWaalsContact O-N 3.1Å; E40-K43 PolarHBondContact O-N 3.07Å
44F89.1Confident92.3Very high45 Ų4544.8 Ų44.820%0.19723%0.232CC..  trans-117.7135.5-173.3-58.8-65.6000110.5E40 T41 E46 F75 R76E40-F44 WeakPolarHBondContact O-CD2 3.29Å; E40-F44 PolarHBondContact O-N 3.18Å; T41-F44 VanDerWaalsContact O-O 3.1Å; F44-E46 VanDerWaalsContact C-N 3.29Å; F44-E46 WeakPolarHBondContact CB-OE2 3.46Å; F44-F75 HydrophobicContact CD2-CE2 4.13Å; F44-F75 HydrophobicContact CD2-CZ 4.02Å; F44-F75 AromaticContact CE2-CE2 3.87Å; F44-F75 HydrophobicContact CE2-CE2 3.87Å; F44-F75 AromaticContact CE2-CZ 3.48Å; F44-F75 HydrophobicContact CE2-CZ 3.48Å; F44-F75 VanDerWaalsContact CE2-CZ 3.48Å; F44-F75 AromaticContact CZ-CZ 3.94Å; F44-F75 HydrophobicContact CZ-CZ 3.94Å; F44-R76 HydrophobicContact CB-CG 4.04Å; F44-R76 HydrophobicContact CD1-CG 4.13Å; F44-R76 HydrophobicContact CD2-CG 4.21Å; F44-R76 HydrophobicContact CG-CG 3.86Å
45K87.8Confident92.2Very high212 Ų21244.4 Ų44.492%0.92223%0.229SC*.SBendtrans-77-23.8176.6-65.5-178.1-179.4179.90111.4
46E90.2Very high92Very high40 Ų4047.3 Ų47.319%0.18725%0.247CC..SBendtrans-75.4149.1-179.6-53.397.5138.600111.5F44 C48 R76F44-E46 VanDerWaalsContact C-N 3.29Å; F44-E46 WeakPolarHBondContact CB-OE2 3.46Å; E46-C48 PolarHBondContact O-N 3.27Å; E46-C48 PolarHBondContact O-SG 3.29Å; E46-C48 VanDerWaalsContact O-SG 3.38Å; E46-R76 HydrophobicContact CB-CB 3.74Å; E46-R76 HydrophobicContact CB-CG 4.33Å; E46-R76 HydrophobicContact CG-CB 4.29Å; E46-R76 IonicContact OE1-CZ 2.84Å; E46-R76 IonicContact OE1-NE 3.29Å; E46-R76 PolarHBondContact OE1-NE 2.66Å; E46-R76 VanDerWaalsContact OE1-NE 3.16Å; E46-R76 IonicContact OE1-NH2 3.07Å; E46-R76 PolarHBondContact OE1-NH2 2.87Å; E46-R76 IonicContact OE2-NE 3.66Å
47P91.7Very high91.6Very high8 Ų848.2 Ų48.25%0.05225%0.253CS..  trans-64.6123.5-174.824-31.4000111.8R76 G77 L104P47-R76 PolarHBondContact O-N 3.45Å; P47-G77 PolarHBondContact O-N 3.5Å; P47-L104 HydrophobicContact CB-CD2 4.39Å
48C92.7Very high91.2Very high5 Ų549.8 Ų49.83%0.03426%0.261CS..  trans-123118176.1-61.40000109I36 E40 E46 V74 R76I36-C48 WeakPolarHBondContact CG2-O 3.36Å; E40-C48 HydrophobicContact CB-CB 4.18Å; E46-C48 PolarHBondContact O-N 3.27Å; E46-C48 PolarHBondContact O-SG 3.29Å; E46-C48 VanDerWaalsContact O-SG 3.38Å; C48-V74 WeakPolarHBondContact CA-O 3.49Å; C48-R76 PolarHBondContact SG-N 2.73Å
49Y94.3Very high90.6Very high11 Ų1155.2 Ų55.24%0.04329%0.289CS..EExtended strand (participates in β ladder)trans-156.2165.3178.967.3-94.5000112.5V34 I51 V74 S108V34-Y49 HydrophobicContact CG1-CD2 3.64Å; V34-Y49 HydrophobicContact CG1-CG 3.99Å; Y49-I51 HydrophobicContact CD2-CG1 4.19Å; Y49-I51 HydrophobicContact CE2-CD1 4.15Å; Y49-I51 HydrophobicContact CE2-CG1 3.95Å; Y49-V74 HydrophobicContact CD1-CB 4.07Å; Y49-V74 HydrophobicContact CD1-CG1 4.23Å; Y49-V74 HydrophobicContact CD2-CB 4.23Å; Y49-V74 HydrophobicContact CD2-CG2 4.31Å; Y49-V74 HydrophobicContact CE1-CB 3.78Å; Y49-V74 HydrophobicContact CE1-CG1 3.7Å; Y49-V74 HydrophobicContact CE1-CG2 4.15Å; Y49-V74 HydrophobicContact CE2-CB 3.96Å; Y49-V74 HydrophobicContact CE2-CG2 3.65Å; Y49-V74 HydrophobicContact CG-CB 4.3Å; Y49-V74 PolarHBondContact N-O 2.79Å; Y49-V74 PolarHBondContact O-N 2.8Å; Y49-S108 PolarHBondContact OH-OG 2.65Å
50Y95.2Very high90Very high0 Ų058.1 Ų58.10%031%0.311CS..EExtended strand (participates in β ladder)trans-130.4131.2-177.6-59.8-98.3000110V34 V35 K37 E40 I72 R73 L85 W93V34-Y50 CarbonylContact C-O 3.46Å; V34-Y50 VanDerWaalsContact CA-O 3.29Å; V34-Y50 WeakPolarHBondContact CA-O 3.45Å; V35-Y50 PolarHBondContact N-O 3.12Å; V35-Y50 PolarHBondContact O-N 3.36Å; K37-Y50 HydrophobicContact CG-CE2 4.23Å; E40-Y50 PolarHBondContact OE1-OH 3.27Å; E40-Y50 WeakPolarHBondContact OE2-CE2 3.25Å; E40-Y50 PolarHBondContact OE2-OH 2.78Å; E40-Y50 VanDerWaalsContact OE2-OH 3.09Å; Y50-I72 CarbonylContact C-O 3.39Å; Y50-I72 WeakPolarHBondContact CA-O 3.19Å; Y50-R73 HydrophobicContact CD1-CB 3.88Å; Y50-R73 HydrophobicContact CD1-CG 3.83Å; Y50-R73 HydrophobicContact CE1-CB 3.9Å; Y50-R73 HydrophobicContact CE1-CG 3.4Å; Y50-R73 VanDerWaalsContact CE1-CG 3.4Å; Y50-R73 PolarHBondContact OH-NE 3.15Å; Y50-R73 VanDerWaalsContact OH-NE 3.16Å; Y50-R73 PolarHBondContact OH-NH2 2.89Å; Y50-L85 HydrophobicContact CD1-CD1 4.05Å; Y50-L85 HydrophobicContact CD1-CD2 3.98Å; Y50-L85 HydrophobicContact CD1-CG 3.62Å; Y50-L85 HydrophobicContact CE1-CG 4.01Å; Y50-L85 HydrophobicContact CG-CD2 4.19Å; Y50-L85 HydrophobicContact CG-CG 4.32Å; Y50-W93 HydrophobicContact CD2-CH2 4.37Å; Y50-W93 AromaticContact CD2-CZ3 3.7Å; Y50-W93 HydrophobicContact CD2-CZ3 3.7Å; Y50-W93 HydrophobicContact CE2-CH2 4.26Å; Y50-W93 AromaticContact CE2-CZ3 3.93Å; Y50-W93 HydrophobicContact CE2-CZ3 3.93Å; Y50-W93 HydrophobicContact CG-CZ3 4.05Å
51I95Very high89.2Confident37 Ų3758.4 Ų58.419%0.1931%0.313CS..EExtended strand (participates in β ladder)trans-97.9110.1171.5-51.8176.6000107.8V34 Y49 K53 G71 I72V34-I51 HydrophobicContact CG2-CG1 4.29Å; Y49-I51 HydrophobicContact CD2-CG1 4.19Å; Y49-I51 HydrophobicContact CE2-CD1 4.15Å; Y49-I51 HydrophobicContact CE2-CG1 3.95Å; I51-K53 PolarHBondContact O-N 3.15Å; I51-G71 CarbonylContact O-C 3.55Å; I51-G71 WeakPolarHBondContact O-CA 3.41Å; I51-I72 HydrophobicContact CB-CB 4.18Å; I51-I72 HydrophobicContact CD1-CB 4.49Å; I51-I72 HydrophobicContact CD1-CD1 4.47Å; I51-I72 PolarHBondContact N-O 3.29Å; I51-I72 PolarHBondContact O-N 3.18Å
52L95.5Very high88.6Confident0 Ų065.8 Ų65.80%034%0.34CS..EExtended strand (participates in β ladder)trans-67.9130.3-180-62.6179.1000110.4L19 A30 G32 R33 V35 V55 A69 L85L19-L52 HydrophobicContact CD1-CD1 4.2Å; L19-L52 HydrophobicContact CD1-CD2 4.36Å; A30-L52 HydrophobicContact CB-CD1 3.76Å; A30-L52 WeakPolarHBondContact O-CB 3.39Å; G32-L52 WeakPolarHBondContact CA-O 3.26Å; G32-L52 PolarHBondContact N-O 3.19Å; R33-L52 PolarHBondContact O-N 3.3Å; V35-L52 HydrophobicContact CG1-CD1 3.7Å; V35-L52 HydrophobicContact CG1-CG 4.2Å; V35-L52 HydrophobicContact CG2-CD1 4.21Å; V35-L52 HydrophobicContact CG2-CD2 3.9Å; V35-L52 HydrophobicContact CG2-CG 3.94Å; L52-V55 HydrophobicContact CD1-CG2 4.37Å; L52-V55 HydrophobicContact CD2-CG2 4.37Å; L52-A69 HydrophobicContact CD2-CB 4.47Å; L52-L85 HydrophobicContact CD2-CD2 3.59Å
53K95.2Very high88.1Confident92 Ų9266 Ų6640%0.433%0.333SS..EExtended strand (participates in β ladder)trans-114.8-38.6177.2-74.8-70.6-174.5178.80112.2K31 I51 W70 Y82K31-K53 WeakPolarHBondContact CG-O 3.32Å; I51-K53 PolarHBondContact O-N 3.15Å; K53-W70 PolarHBondContact N-O 2.95Å; K53-Y82 HydrophobicContact CB-CD2 4.44Å; K53-Y82 HydrophobicContact CB-CE2 3.81Å; K53-Y82 HydrophobicContact CG-CD2 4.33Å; K53-Y82 HydrophobicContact CG-CE2 4.18Å
54S93.4Very high87.4Confident48 Ų4861.6 Ų61.634%0.33632%0.317SS..EExtended strand (participates in β ladder)trans-147.7133.5176.7-176.80000109.7A69 W70S54-A69 CarbonylContact O-C 3.15Å; S54-A69 WeakPolarHBondContact O-CA 3.48Å; S54-W70 PolarHBondContact N-O 3.36Å; S54-W70 PolarHBondContact O-N 3.38Å
55V92.7Very high87Confident6 Ų661.6 Ų61.64%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-128.5125.1172.6-174.30000108.2A23 R29 L52 C67 R68 A69A23-V55 HydrophobicContact CB-CB 4.12Å; A23-V55 HydrophobicContact CB-CG1 3.73Å; A23-V55 HydrophobicContact CB-CG2 4.29Å; R29-V55 HydrophobicContact CB-CB 4.38Å; R29-V55 WeakPolarHBondContact CD-O 3.33Å; R29-V55 PolarHBondContact NH1-O 2.81Å; R29-V55 VanDerWaalsContact NH1-O 3.09Å; L52-V55 HydrophobicContact CD1-CG2 4.37Å; L52-V55 HydrophobicContact CD2-CG2 4.37Å; V55-C67 HydrophobicContact CG1-CB 3.89Å; V55-R68 WeakPolarHBondContact CA-O 3.33Å; V55-A69 HydrophobicContact CG1-CB 4.32Å; V55-A69 HydrophobicContact CG2-CB 3.98Å
56V91.2Very high86.9Confident62 Ų6258.3 Ų58.338%0.37630%0.302SS..EExtended strand (participates in β ladder)trans-120.8115.5179.5-178.90000108.2C67 R68 W70V56-C67 CarbonylContact O-C 3.56Å; V56-C67 WeakPolarHBondContact O-CA 3.5Å; V56-R68 PolarHBondContact N-O 3.12Å; V56-R68 PolarHBondContact O-N 2.98Å; V56-W70 HydrophobicContact CB-CH2 4.46Å; V56-W70 HydrophobicContact CB-CZ3 3.92Å; V56-W70 HydrophobicContact CG2-CH2 4.38Å; V56-W70 HydrophobicContact CG2-CZ3 3.71Å
57P87.6Confident86.9Confident21 Ų2156.5 Ų56.514%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-63.5142.2171.821.1-22.7000109.9R29 M59R29-P57 VanDerWaalsContact CZ-CD 3.44Å; P57-M59 HydrophobicContact CB-CE 3.73Å; P57-M59 HydrophobicContact CG-CE 3.55Å; P57-M59 PolarHBondContact O-N 3.06Å
58L84.5Confident86.9Confident40 Ų4062.9 Ų62.921%0.20932%0.317CS..  trans-79.9104.5175-84130.7000109.1S60 D61 R66 R68L58-S60 PolarHBondContact O-N 2.9Å; L58-S60 VanDerWaalsContact O-N 3.07Å; L58-D61 HydrophobicContact CB-CB 4.28Å; L58-D61 WeakPolarHBondContact O-CB 3.43Å; L58-D61 PolarHBondContact O-N 3.41Å; L58-R66 HydrophobicContact CB-CB 4.41Å; L58-R66 HydrophobicContact CD1-CB 3.63Å; L58-R66 PolarHBondContact N-O 3.18Å; L58-R66 VanDerWaalsContact N-O 3.09Å; L58-R68 HydrophobicContact CD1-CG 3.99Å; L58-R68 HydrophobicContact CG-CG 4.25Å
59M76.8Confident86.9Confident158 Ų15862.6 Ų62.678%0.77832%0.315SS*.THydrogen-bonded Turntrans-58.7-22.6179.2-61.1-65.895.700113.7P57 D61P57-M59 HydrophobicContact CB-CE 3.73Å; P57-M59 HydrophobicContact CG-CE 3.55Å; P57-M59 PolarHBondContact O-N 3.06Å; M59-D61 PolarHBondContact O-N 2.91Å
60S78.4Confident86.9Confident107 Ų10765.3 Ų65.375%0.74833%0.325SS*.THydrogen-bonded Turntrans-75-13.2176.762.30000113.6L58L58-S60 PolarHBondContact O-N 2.9Å; L58-S60 VanDerWaalsContact O-N 3.07Å
61D75.5Confident86.8Confident26 Ų2665.3 Ų65.314%0.13933%0.325CS..  trans-96.1104.1-178.3-173.79.9000110.8L58 M59 T63 D64 R66L58-D61 HydrophobicContact CB-CB 4.28Å; L58-D61 WeakPolarHBondContact O-CB 3.43Å; L58-D61 PolarHBondContact O-N 3.41Å; M59-D61 PolarHBondContact O-N 2.91Å; D61-T63 PolarHBondContact O-N 2.93Å; D61-T63 WeakPolarHBondContact OD1-CB 3.4Å; D61-T63 PolarHBondContact OD1-N 2.87Å; D61-T63 PolarHBondContact OD1-OG1 2.53Å; D61-T63 PolarHBondContact OD2-OG1 3.48Å; D61-T63 VanDerWaalsContact OD2-OG1 3.05Å; D61-D64 PolarHBondContact O-N 3.46Å; D61-D64 VanDerWaalsContact O-N 3.09Å; D61-R66 HydrophobicContact CB-CB 4.29Å; D61-R66 WeakPolarHBondContact OD2-CB 3.34Å; D61-R66 WeakPolarHBondContact OD2-CD 3.37Å; D61-R66 WeakPolarHBondContact OD2-CG 3.29Å; D61-R66 PolarHBondContact OD2-N 3.3Å
62K75.8Confident86.7Confident213 Ų21365.5 Ų65.593%0.92633%0.326SS*.THydrogen-bonded Turntrans-63-22.3176.8-66.9-176.2179.1-177.50113.2D64K62-D64 PolarHBondContact O-N 3.04Å
63T78.2Confident86.6Confident94 Ų9467 Ų6758%0.57733%0.332SS*.THydrogen-bonded Turntrans-77.3-14.6178.868.10000112.1D61 V65D61-T63 PolarHBondContact O-N 2.93Å; D61-T63 WeakPolarHBondContact OD1-CB 3.4Å; D61-T63 PolarHBondContact OD1-N 2.87Å; D61-T63 PolarHBondContact OD1-OG1 2.53Å; D61-T63 PolarHBondContact OD2-OG1 3.48Å; D61-T63 VanDerWaalsContact OD2-OG1 3.05Å; T63-V65 PolarHBondContact O-N 3.13Å; T63-V65 WeakPolarHBondContact OG1-CB 3.31Å; T63-V65 WeakPolarHBondContact OG1-CG2 3.44Å
64D75.7Confident86.5Confident69 Ų6962.9 Ų62.937%0.36931%0.314SS..SBendtrans55.719.9-177.4-153.95.4000112.8S20 K24 D61 K62S20-D64 PolarHBondContact OG-O 3.16Å; K24-D64 WeakPolarHBondContact CE-OD1 3.05Å; K24-D64 WeakPolarHBondContact CE-OD2 3.14Å; K24-D64 PolarHBondContact NZ-O 2.71Å; K24-D64 IonicContact NZ-OD1 3.01Å; K24-D64 PolarHBondContact NZ-OD1 2.94Å; K24-D64 IonicContact NZ-OD2 2.64Å; K24-D64 PolarHBondContact NZ-OD2 2.94Å; D61-D64 PolarHBondContact O-N 3.46Å; D61-D64 VanDerWaalsContact O-N 3.09Å; K62-D64 PolarHBondContact O-N 3.04Å
65V79.9Confident86.4Confident44 Ų4461.1 Ų61.127%0.26730%0.301SS..  trans-82.6-39.7179.2170.60000109.9L18 S20 T63L18-V65 HydrophobicContact CD1-CB 4.3Å; L18-V65 HydrophobicContact CD1-CG1 3.81Å; L18-V65 HydrophobicContact CD1-CG2 3.99Å; L18-V65 HydrophobicContact CD2-CG1 3.71Å; L18-V65 HydrophobicContact CG-CG1 4.38Å; S20-V65 VanDerWaalsContact CB-O 3.23Å; S20-V65 WeakPolarHBondContact CB-O 3.13Å; S20-V65 PolarHBondContact OG-O 3.2Å; T63-V65 PolarHBondContact O-N 3.13Å; T63-V65 WeakPolarHBondContact OG1-CB 3.31Å; T63-V65 WeakPolarHBondContact OG1-CG2 3.44Å
66R85.7Confident86.4Confident144 Ų14463 Ų6354%0.54331%0.307SS..  trans-87.9132.3-173.4-60.9171.1-178.2-163.20.3112.2L58 D61 H89L58-R66 HydrophobicContact CB-CB 4.41Å; L58-R66 HydrophobicContact CD1-CB 3.63Å; L58-R66 PolarHBondContact N-O 3.18Å; L58-R66 VanDerWaalsContact N-O 3.09Å; D61-R66 HydrophobicContact CB-CB 4.29Å; D61-R66 WeakPolarHBondContact OD2-CB 3.34Å; D61-R66 WeakPolarHBondContact OD2-CD 3.37Å; D61-R66 WeakPolarHBondContact OD2-CG 3.29Å; D61-R66 PolarHBondContact OD2-N 3.3Å; R66-H89 HydrophobicContact CG-CB 4Å
67C89.1Confident86.3Confident1 Ų160.5 Ų60.51%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-131.9151167.962.80000111V55 V56 T88V55-C67 HydrophobicContact CG1-CB 3.89Å; V56-C67 CarbonylContact O-C 3.56Å; V56-C67 WeakPolarHBondContact O-CA 3.5Å; C67-T88 VanDerWaalsContact O-CB 3.25Å; C67-T88 WeakPolarHBondContact O-CB 3.46Å; C67-T88 PolarHBondContact O-OG1 3.29Å
68R91.6Very high86.3Confident142 Ų14262.6 Ų62.654%0.53630%0.299SS..EExtended strand (participates in β ladder)trans-90.8121.3162.5-63.9-175.2-173.2167.43.6107.9V55 V56 L58 W70 L84V55-R68 WeakPolarHBondContact CA-O 3.33Å; V56-R68 PolarHBondContact N-O 3.12Å; V56-R68 PolarHBondContact O-N 2.98Å; L58-R68 HydrophobicContact CD1-CG 3.99Å; L58-R68 HydrophobicContact CG-CG 4.25Å; R68-W70 HydrophobicContact CB-CE3 4.38Å; R68-W70 HydrophobicContact CB-CH2 3.35Å; R68-W70 HydrophobicContact CB-CZ2 4.02Å; R68-W70 HydrophobicContact CB-CZ3 3.55Å; R68-W70 HydrophobicContact CG-CH2 4.29Å; R68-W70 VanDerWaalsContact O-CZ3 3.27Å; R68-W70 WeakPolarHBondContact O-CZ3 3.06Å; R68-L84 HydrophobicContact CB-CD1 4.37Å
69A92.7Very high86.6Confident0 Ų065.9 Ų65.90%032%0.317CS..EExtended strand (participates in β ladder)trans-119.2135.4178.100000109.8L19 L52 S54 V55 L84 L85 T88L19-A69 HydrophobicContact CD2-CB 3.47Å; L19-A69 VanDerWaalsContact CD2-CB 3.47Å; L52-A69 HydrophobicContact CD2-CB 4.47Å; S54-A69 CarbonylContact O-C 3.15Å; S54-A69 WeakPolarHBondContact O-CA 3.48Å; V55-A69 HydrophobicContact CG1-CB 4.32Å; V55-A69 HydrophobicContact CG2-CB 3.98Å; A69-L84 WeakPolarHBondContact O-CD1 3.47Å; A69-L85 HydrophobicContact CB-CB 4.26Å; A69-L85 HydrophobicContact CB-CD2 4.11Å; A69-L85 PolarHBondContact O-N 3.47Å; A69-T88 HydrophobicContact CB-CG2 3.94Å
70W94.3Very high87.1Confident68 Ų6860.9 Ų60.926%0.25829%0.293SS..EExtended strand (participates in β ladder)trans-120142.6173.8-61.3-100000109.4K53 S54 V56 R68 Y82 C83 L84K53-W70 PolarHBondContact N-O 2.95Å; S54-W70 PolarHBondContact N-O 3.36Å; S54-W70 PolarHBondContact O-N 3.38Å; V56-W70 HydrophobicContact CB-CH2 4.46Å; V56-W70 HydrophobicContact CB-CZ3 3.92Å; V56-W70 HydrophobicContact CG2-CH2 4.38Å; V56-W70 HydrophobicContact CG2-CZ3 3.71Å; R68-W70 HydrophobicContact CB-CE3 4.38Å; R68-W70 HydrophobicContact CB-CH2 3.35Å; R68-W70 HydrophobicContact CB-CZ2 4.02Å; R68-W70 HydrophobicContact CB-CZ3 3.55Å; R68-W70 HydrophobicContact CG-CH2 4.29Å; R68-W70 VanDerWaalsContact O-CZ3 3.27Å; R68-W70 WeakPolarHBondContact O-CZ3 3.06Å; W70-Y82 HydrophobicContact CB-CE1 4.21Å; W70-Y82 HydrophobicContact CB-CE2 3.78Å; W70-Y82 VanDerWaalsContact CB-CZ 3.45Å; W70-Y82 WeakPolarHBondContact CB-OH 3.31Å; W70-Y82 HydrophobicContact CG-CE1 4.48Å; W70-C83 WeakPolarHBondContact CA-O 3.25Å; W70-L84 HydrophobicContact CD2-CD1 4.07Å; W70-L84 HydrophobicContact CG-CD1 4.29Å; W70-L84 HydrophobicContact CZ2-CD1 4.06Å
71G94Very high87.6Confident0 Ų057 Ų570%027%0.271CS..EExtended strand (participates in β ladder)trans-170.5174.3-174.700000112.3I51 Y82 C83I51-G71 CarbonylContact O-C 3.55Å; I51-G71 WeakPolarHBondContact O-CA 3.41Å; G71-Y82 WeakPolarHBondContact O-CA 3.35Å; G71-C83 PolarHBondContact N-O 3.2Å; G71-C83 VanDerWaalsContact N-O 3.11Å; G71-C83 PolarHBondContact O-N 2.91Å
72I93.9Very high88.4Confident41 Ų4162.6 Ų62.621%0.2129%0.291CS..EExtended strand (participates in β ladder)trans-81.6123.8169.6-58.4170.4000106.8Y50 I51 N79 G81Y50-I72 CarbonylContact C-O 3.39Å; Y50-I72 WeakPolarHBondContact CA-O 3.19Å; I51-I72 HydrophobicContact CB-CB 4.18Å; I51-I72 HydrophobicContact CD1-CB 4.49Å; I51-I72 HydrophobicContact CD1-CD1 4.47Å; I51-I72 PolarHBondContact N-O 3.29Å; I51-I72 PolarHBondContact O-N 3.18Å; I72-N79 VanDerWaalsContact CG2-OD1 3.29Å; I72-N79 WeakPolarHBondContact CG2-OD1 3.43Å; I72-G81 WeakPolarHBondContact CA-O 3.44Å
73R93.5Very high89.1Confident31 Ų3154.1 Ų54.112%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-100121.8176.6177.8175.1-166.7-165.43.3109.6E40 Y50 F75 L80 G81 C83 T178E40-R73 IonicContact OE1-NH2 2.71Å; E40-R73 PolarHBondContact OE1-NH2 3.09Å; Y50-R73 HydrophobicContact CD1-CB 3.88Å; Y50-R73 HydrophobicContact CD1-CG 3.83Å; Y50-R73 HydrophobicContact CE1-CB 3.9Å; Y50-R73 HydrophobicContact CE1-CG 3.4Å; Y50-R73 VanDerWaalsContact CE1-CG 3.4Å; Y50-R73 PolarHBondContact OH-NE 3.15Å; Y50-R73 VanDerWaalsContact OH-NE 3.16Å; Y50-R73 PolarHBondContact OH-NH2 2.89Å; R73-F75 HydrophobicContact CG-CB 4.42Å; R73-L80 HydrophobicContact CB-CB 4.36Å; R73-L80 HydrophobicContact CG-CB 4.49Å; R73-L80 HydrophobicContact CG-CD1 4.15Å; R73-L80 WeakPolarHBondContact O-CB 3.27Å; R73-L80 PolarHBondContact O-N 2.6Å; R73-G81 PolarHBondContact N-O 3.16Å; R73-C83 VanDerWaalsContact CB-SG 3.54Å; R73-T178 VanDerWaalsContact NH1-CG2 3.35Å
74V92Very high89.7Confident5 Ų554.3 Ų54.33%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-108.8115.3167.7-178.60000107.3C48 Y49 R78 N79C48-V74 WeakPolarHBondContact CA-O 3.49Å; Y49-V74 HydrophobicContact CD1-CB 4.07Å; Y49-V74 HydrophobicContact CD1-CG1 4.23Å; Y49-V74 HydrophobicContact CD2-CB 4.23Å; Y49-V74 HydrophobicContact CD2-CG2 4.31Å; Y49-V74 HydrophobicContact CE1-CB 3.78Å; Y49-V74 HydrophobicContact CE1-CG1 3.7Å; Y49-V74 HydrophobicContact CE1-CG2 4.15Å; Y49-V74 HydrophobicContact CE2-CB 3.96Å; Y49-V74 HydrophobicContact CE2-CG2 3.65Å; Y49-V74 HydrophobicContact CG-CB 4.3Å; Y49-V74 PolarHBondContact N-O 2.79Å; Y49-V74 PolarHBondContact O-N 2.8Å; V74-R78 CarbonylContact C-O 3.56Å; V74-R78 WeakPolarHBondContact CA-O 3.49Å; V74-N79 HydrophobicContact CG2-CB 4.45Å
75F92.3Very high90.4Very high11 Ų1151.2 Ų51.25%0.04824%0.239CC..EExtended strand (participates in β ladder)trans-121.3123.2-176.1-174.5-105.4000109.3E40 F44 R73 G77 R78 L80 T178 F180E40-F75 HydrophobicContact CG-CE2 4.31Å; F44-F75 HydrophobicContact CD2-CE2 4.13Å; F44-F75 HydrophobicContact CD2-CZ 4.02Å; F44-F75 AromaticContact CE2-CE2 3.87Å; F44-F75 HydrophobicContact CE2-CE2 3.87Å; F44-F75 AromaticContact CE2-CZ 3.48Å; F44-F75 HydrophobicContact CE2-CZ 3.48Å; F44-F75 VanDerWaalsContact CE2-CZ 3.48Å; F44-F75 AromaticContact CZ-CZ 3.94Å; F44-F75 HydrophobicContact CZ-CZ 3.94Å; R73-F75 HydrophobicContact CG-CB 4.42Å; F75-G77 VanDerWaalsContact C-N 3.27Å; F75-G77 PolarHBondContact O-N 3.38Å; F75-R78 PolarHBondContact N-O 2.93Å; F75-R78 PolarHBondContact O-N 3.23Å; F75-L80 HydrophobicContact CB-CD1 3.73Å; F75-L80 HydrophobicContact CB-CG 4.3Å; F75-T178 HydrophobicContact CD1-CG2 4.01Å; F75-T178 HydrophobicContact CE1-CG2 4.14Å; F75-T178 WeakPolarHBondContact CE1-O 3.24Å; F75-T178 HydrophobicContact CG-CG2 4.4Å; F75-F180 AromaticContact CD1-CE2 3.72Å; F75-F180 HydrophobicContact CD1-CE2 3.72Å; F75-F180 AromaticContact CD1-CZ 3.68Å; F75-F180 HydrophobicContact CD1-CZ 3.68Å; F75-F180 HydrophobicContact CE1-CE2 4.06Å; F75-F180 HydrophobicContact CE1-CZ 4.44Å; F75-F180 WeakPolarHBondContact O-CZ 3.49Å
76R91Very high90.7Very high45 Ų4551.3 Ų51.317%0.1724%0.24CC..THydrogen-bonded Turntrans45.549.4-175.6-55.9176.463.5-161-1.6113F44 E46 P47 C48 R78 A114 A115 F180F44-R76 HydrophobicContact CB-CG 4.04Å; F44-R76 HydrophobicContact CD1-CG 4.13Å; F44-R76 HydrophobicContact CD2-CG 4.21Å; F44-R76 HydrophobicContact CG-CG 3.86Å; E46-R76 HydrophobicContact CB-CB 3.74Å; E46-R76 HydrophobicContact CB-CG 4.33Å; E46-R76 HydrophobicContact CG-CB 4.29Å; E46-R76 IonicContact OE1-CZ 2.84Å; E46-R76 IonicContact OE1-NE 3.29Å; E46-R76 PolarHBondContact OE1-NE 2.66Å; E46-R76 VanDerWaalsContact OE1-NE 3.16Å; E46-R76 IonicContact OE1-NH2 3.07Å; E46-R76 PolarHBondContact OE1-NH2 2.87Å; E46-R76 IonicContact OE2-NE 3.66Å; P47-R76 PolarHBondContact O-N 3.45Å; C48-R76 PolarHBondContact SG-N 2.73Å; R76-R78 PolarHBondContact O-N 3.04Å; R76-A114 WeakPolarHBondContact O-CA 3.39Å; R76-A115 HydrophobicContact CB-CB 3.66Å; R76-A115 VanDerWaalsContact CZ-CB 3.48Å; R76-A115 PolarHBondContact O-N 3.21Å; R76-F180 HydrophobicContact CB-CE2 3.96Å; R76-F180 HydrophobicContact CG-CE2 4.39Å
77G89.3Confident90.9Very high11 Ų1148 Ų4811%0.11323%0.234CC..THydrogen-bonded Turntrans75.7-6.4-179.300000116.3P47 F75P47-G77 PolarHBondContact O-N 3.5Å; F75-G77 VanDerWaalsContact C-N 3.27Å; F75-G77 PolarHBondContact O-N 3.38Å
78R88.6Confident90.8Very high64 Ų6448.8 Ų48.824%0.24224%0.238CC..EExtended strand (participates in β ladder)trans-99.3132.6178.8-67.5175.2174.8-146.9-0.5111.4V74 F75 R76 L80 A114 A115 D117 F180V74-R78 CarbonylContact C-O 3.56Å; V74-R78 WeakPolarHBondContact CA-O 3.49Å; F75-R78 PolarHBondContact N-O 2.93Å; F75-R78 PolarHBondContact O-N 3.23Å; R76-R78 PolarHBondContact O-N 3.04Å; R78-L80 PolarHBondContact O-N 3.32Å; R78-A114 HydrophobicContact CG-CB 4.22Å; R78-A115 VanDerWaalsContact CZ-O 3.31Å; R78-A115 PolarHBondContact NE-O 3.37Å; R78-A115 PolarHBondContact NH2-O 3.1Å; R78-D117 IonicContact CZ-OD1 2.66Å; R78-D117 VanDerWaalsContact CZ-OD1 3.29Å; R78-D117 IonicContact CZ-OD2 3.28Å; R78-D117 IonicContact NH1-OD1 2.68Å; R78-D117 PolarHBondContact NH1-OD1 2.68Å; R78-D117 IonicContact NH1-OD2 3.58Å; R78-D117 IonicContact NH2-OD1 3.62Å; R78-D117 PolarHBondContact NH2-OD1 3.1Å; R78-D117 VanDerWaalsContact NH2-OD1 3.07Å; R78-D117 IonicContact NH2-OD2 2.87Å; R78-D117 PolarHBondContact NH2-OD2 2.98Å; R78-F180 HydrophobicContact CB-CE1 3.89Å; R78-F180 HydrophobicContact CB-CZ 3.96Å; R78-F180 VanDerWaalsContact CD-CD1 3.41Å; R78-F180 HydrophobicContact CG-CE1 4.16Å; R78-F180 HydrophobicContact CG-CZ 4.28Å
79N89.7Confident90.6Very high110 Ų11046.3 Ų46.359%0.58823%0.233SC*.EExtended strand (participates in β ladder)trans-79.1113.2175-172.4-1.4000110.3I72 V74 G81I72-N79 VanDerWaalsContact CG2-OD1 3.29Å; I72-N79 WeakPolarHBondContact CG2-OD1 3.43Å; V74-N79 HydrophobicContact CG2-CB 4.45Å; N79-G81 VanDerWaalsContact C-N 3.3Å; N79-G81 WeakPolarHBondContact OD1-CA 3.42Å; N79-G81 PolarHBondContact OD1-N 2.83Å
80L87.9Confident90.4Very high52 Ų5248.2 Ų48.227%0.27224%0.241SC..EExtended strand (participates in β ladder)trans-881176.6-60.7-177.4000112.9R73 F75 R78 P177 T178 F180R73-L80 HydrophobicContact CB-CB 4.36Å; R73-L80 HydrophobicContact CG-CB 4.49Å; R73-L80 HydrophobicContact CG-CD1 4.15Å; R73-L80 WeakPolarHBondContact O-CB 3.27Å; R73-L80 PolarHBondContact O-N 2.6Å; F75-L80 HydrophobicContact CB-CD1 3.73Å; F75-L80 HydrophobicContact CB-CG 4.3Å; R78-L80 PolarHBondContact O-N 3.32Å; L80-P177 HydrophobicContact CD1-CB 4.46Å; L80-P177 HydrophobicContact CD2-CB 4.12Å; L80-T178 HydrophobicContact CD1-CG2 4.18Å; L80-F180 HydrophobicContact CD2-CE1 4.17Å
81G89.2Confident90.1Very high27 Ų2747 Ų4728%0.27824%0.243SC..EExtended strand (participates in β ladder)trans78.3-161.3179.200000113.3I72 R73 N79 C83I72-G81 WeakPolarHBondContact CA-O 3.44Å; R73-G81 PolarHBondContact N-O 3.16Å; N79-G81 VanDerWaalsContact C-N 3.3Å; N79-G81 WeakPolarHBondContact OD1-CA 3.42Å; N79-G81 PolarHBondContact OD1-N 2.83Å; G81-C83 PolarHBondContact O-N 2.91Å
82Y92.1Very high89.9Confident142 Ų14247 Ų4756%0.55724%0.243SC*.EExtended strand (participates in β ladder)trans-80.2115.9-178.7-178.1-99.5000110.8K53 W70 G71K53-Y82 HydrophobicContact CB-CD2 4.44Å; K53-Y82 HydrophobicContact CB-CE2 3.81Å; K53-Y82 HydrophobicContact CG-CD2 4.33Å; K53-Y82 HydrophobicContact CG-CE2 4.18Å; W70-Y82 HydrophobicContact CB-CE1 4.21Å; W70-Y82 HydrophobicContact CB-CE2 3.78Å; W70-Y82 VanDerWaalsContact CB-CZ 3.45Å; W70-Y82 WeakPolarHBondContact CB-OH 3.31Å; W70-Y82 HydrophobicContact CG-CE1 4.48Å; G71-Y82 WeakPolarHBondContact O-CA 3.35Å
83C90.3Very high89.9Confident36 Ų3645.1 Ų45.124%0.24323%0.233CC..EExtended strand (participates in β ladder)trans-139.4165.3179.675.30000112.3W70 G71 R73 G81W70-C83 WeakPolarHBondContact CA-O 3.25Å; G71-C83 PolarHBondContact N-O 3.2Å; G71-C83 VanDerWaalsContact N-O 3.11Å; G71-C83 PolarHBondContact O-N 2.91Å; R73-C83 VanDerWaalsContact CB-SG 3.54Å; G81-C83 PolarHBondContact O-N 2.91Å
84L90.7Very high90Very high97 Ų9748.4 Ų48.451%0.50825%0.245SC..EExtended strand (participates in β ladder)trans-70.2130.9165.3-176.573.6000108.4R68 A69 W70R68-L84 HydrophobicContact CB-CD1 4.37Å; A69-L84 WeakPolarHBondContact O-CD1 3.47Å; W70-L84 HydrophobicContact CD2-CD1 4.07Å; W70-L84 HydrophobicContact CG-CD1 4.29Å; W70-L84 HydrophobicContact CZ2-CD1 4.06Å
85L90.6Very high90.1Very high4 Ų451.1 Ų51.12%0.02126%0.259CS..PPolyproline II helixtrans-72.6127.7177.4-85.760.8000109.5L19 Y50 L52 A69 T88 W93L19-L85 HydrophobicContact CD2-CD2 4.14Å; Y50-L85 HydrophobicContact CD1-CD1 4.05Å; Y50-L85 HydrophobicContact CD1-CD2 3.98Å; Y50-L85 HydrophobicContact CD1-CG 3.62Å; Y50-L85 HydrophobicContact CE1-CG 4.01Å; Y50-L85 HydrophobicContact CG-CD2 4.19Å; Y50-L85 HydrophobicContact CG-CG 4.32Å; L52-L85 HydrophobicContact CD2-CD2 3.59Å; A69-L85 HydrophobicContact CB-CB 4.26Å; A69-L85 HydrophobicContact CB-CD2 4.11Å; A69-L85 PolarHBondContact O-N 3.47Å; L85-T88 HydrophobicContact CB-CG2 3.95Å; L85-T88 WeakPolarHBondContact O-CG2 3.39Å; L85-W93 HydrophobicContact CB-CH2 4.04Å; L85-W93 HydrophobicContact CB-CZ2 4.5Å; L85-W93 HydrophobicContact CD2-CH2 3.64Å; L85-W93 HydrophobicContact CD2-CZ3 3.81Å; L85-W93 HydrophobicContact CG-CH2 4.03Å
86P86.8Confident90.2Very high47 Ų4751 Ų5131%0.30526%0.259SS..THydrogen-bonded Turntrans-77.2147.9177.931.3-34.1000111.5K37 T88K37-P86 PolarHBondContact NZ-O 3.43Å; P86-T88 PolarHBondContact O-N 2.7Å
87N88.5Confident90.3Very high75 Ų7551.2 Ų51.240%0.40127%0.267SS..THydrogen-bonded Turntrans51.147.9174.3-48.3-13.4000114.9H89 E90 W93N87-H89 PolarHBondContact O-N 2.93Å; N87-H89 VanDerWaalsContact O-N 3.11Å; N87-E90 HydrophobicContact CB-CB 4.45Å; N87-E90 HydrophobicContact CB-CG 3.91Å; N87-E90 WeakPolarHBondContact CB-OE2 3.24Å; N87-E90 PolarHBondContact ND2-OE1 2.97Å; N87-E90 VanDerWaalsContact ND2-OE1 3.12Å; N87-E90 PolarHBondContact ND2-OE2 3.09Å; N87-E90 PolarHBondContact O-N 2.8Å; N87-W93 PolarHBondContact O-NE1 3.11Å
88T88Confident90.4Very high17 Ų1754.1 Ų54.110%0.10428%0.284CS..THydrogen-bonded Turntrans-62.6-13.7175.751.50000114.6L19 C67 A69 L85 P86 W93L19-T88 HydrophobicContact CD2-CG2 3.71Å; C67-T88 VanDerWaalsContact O-CB 3.25Å; C67-T88 WeakPolarHBondContact O-CB 3.46Å; C67-T88 PolarHBondContact O-OG1 3.29Å; A69-T88 HydrophobicContact CB-CG2 3.94Å; L85-T88 HydrophobicContact CB-CG2 3.95Å; L85-T88 WeakPolarHBondContact O-CG2 3.39Å; P86-T88 PolarHBondContact O-N 2.7Å; T88-W93 HydrophobicContact CG2-CZ2 4.46Å
89H86.1Confident90.7Very high90 Ų9055.3 Ų55.342%0.41730%0.302SS..THydrogen-bonded Turntrans-88.3-12.1179.263.8-83.8000113.3L18 R66 N87L18-H89 WeakPolarHBondContact CD2-O 3.23Å; R66-H89 HydrophobicContact CG-CB 4Å; N87-H89 PolarHBondContact O-N 2.93Å; N87-H89 VanDerWaalsContact O-N 3.11Å
90E88.6Confident90.8Very high39 Ų3953.2 Ų53.218%0.18229%0.289CS..SBendtrans-76.9135.4174.8-69.9170.3172.700109.5F14 K37 N87 D92 W93F14-E90 HydrophobicContact CE1-CB 4.24Å; F14-E90 HydrophobicContact CE1-CG 4.26Å; F14-E90 HydrophobicContact CE2-CB 4.45Å; F14-E90 HydrophobicContact CE2-CG 4.15Å; F14-E90 HydrophobicContact CZ-CB 4.2Å; F14-E90 VanDerWaalsContact CZ-CD 3.49Å; F14-E90 HydrophobicContact CZ-CG 3.81Å; K37-E90 IonicContact NZ-OE2 3.35Å; N87-E90 HydrophobicContact CB-CB 4.45Å; N87-E90 HydrophobicContact CB-CG 3.91Å; N87-E90 WeakPolarHBondContact CB-OE2 3.24Å; N87-E90 PolarHBondContact ND2-OE1 2.97Å; N87-E90 VanDerWaalsContact ND2-OE1 3.12Å; N87-E90 PolarHBondContact ND2-OE2 3.09Å; N87-E90 PolarHBondContact O-N 2.8Å; E90-D92 HydrophobicContact CB-CB 4.4Å; E90-D92 PolarHBondContact O-N 3.41Å; E90-W93 PolarHBondContact O-NE1 2.98Å
91P88.1Confident91.1Very high44 Ų4451.3 Ų51.329%0.28628%0.28SS..SBendtrans-78.358.9176.834.1-35.8000111F14 G16 K17 L18F14-P91 HydrophobicContact CB-CG 4.09Å; F14-P91 WeakPolarHBondContact CB-O 3.35Å; G16-P91 CarbonylContact C-O 3.44Å; G16-P91 VanDerWaalsContact CA-O 3.26Å; G16-P91 WeakPolarHBondContact CA-O 3.36Å; G16-P91 PolarHBondContact N-O 2.86Å; G16-P91 VanDerWaalsContact O-O 3.1Å; K17-P91 CarbonylContact O-C 3.47Å; K17-P91 WeakPolarHBondContact O-CA 3.39Å; L18-P91 HydrophobicContact CD2-CB 4.02Å; L18-P91 HydrophobicContact CG-CB 4.31Å
92D91.3Very high91.2Very high0 Ų056.2 Ų56.20%030%0.296CS..  trans-117.14-174.3-166.239.6000113.3F14 K17 K37 E38 T39 E90F14-D92 HydrophobicContact CB-CB 4.4Å; F14-D92 HydrophobicContact CD1-CB 3.66Å; F14-D92 HydrophobicContact CE1-CB 4.32Å; F14-D92 HydrophobicContact CG-CB 4.34Å; K17-D92 PolarHBondContact O-N 3.16Å; K37-D92 WeakPolarHBondContact CA-O 3.29Å; K37-D92 WeakPolarHBondContact CB-OD2 3.34Å; E38-D92 PolarHBondContact N-O 2.95Å; T39-D92 VanDerWaalsContact CB-OD2 3.29Å; T39-D92 WeakPolarHBondContact CB-OD2 3.46Å; T39-D92 WeakPolarHBondContact CG2-OD1 3.4Å; T39-D92 WeakPolarHBondContact CG2-OD2 3.34Å; T39-D92 PolarHBondContact N-OD1 2.92Å; T39-D92 VanDerWaalsContact N-OD1 3.15Å; T39-D92 PolarHBondContact N-OD2 3.32Å; T39-D92 PolarHBondContact OG1-OD2 3.44Å; E90-D92 HydrophobicContact CB-CB 4.4Å; E90-D92 PolarHBondContact O-N 3.41Å
93W94.1Very high91.2Very high0 Ų056.3 Ų56.30%030%0.296CS..EExtended strand (participates in β ladder)trans-94.3133.7-170.6-58.887.1000111.2K17 L19 I22 V35 I36 K37 Y50 L85 N87 T88 E90K17-W93 PolarHBondContact N-O 2.75Å; K17-W93 WeakPolarHBondContact O-CB 2.98Å; K17-W93 PolarHBondContact O-N 2.86Å; K17-W93 VanDerWaalsContact O-N 3.08Å; L19-W93 HydrophobicContact CB-CB 4.42Å; L19-W93 HydrophobicContact CB-CD2 4.18Å; L19-W93 HydrophobicContact CB-CG 3.85Å; L19-W93 HydrophobicContact CD1-CB 4.24Å; L19-W93 HydrophobicContact CD1-CD2 3.95Å; L19-W93 HydrophobicContact CD1-CE3 4.05Å; L19-W93 HydrophobicContact CD1-CG 4.04Å; L19-W93 HydrophobicContact CD2-CD2 4.33Å; L19-W93 HydrophobicContact CD2-CZ2 4.28Å; L19-W93 HydrophobicContact CG-CD2 4.39Å; L19-W93 HydrophobicContact CG-CG 4.44Å; I22-W93 HydrophobicContact CD1-CB 3.84Å; V35-W93 HydrophobicContact CB-CE3 4.35Å; V35-W93 HydrophobicContact CG2-CE3 3.76Å; V35-W93 HydrophobicContact CG2-CZ3 3.92Å; I36-W93 WeakPolarHBondContact O-CA 3.49Å; K37-W93 HydrophobicContact CD-CH2 4.27Å; K37-W93 HydrophobicContact CD-CZ2 4.3Å; K37-W93 HydrophobicContact CG-CD2 4.16Å; K37-W93 HydrophobicContact CG-CE3 3.94Å; K37-W93 HydrophobicContact CG-CH2 4.02Å; K37-W93 HydrophobicContact CG-CZ2 4.24Å; K37-W93 HydrophobicContact CG-CZ3 3.86Å; Y50-W93 HydrophobicContact CD2-CH2 4.37Å; Y50-W93 AromaticContact CD2-CZ3 3.7Å; Y50-W93 HydrophobicContact CD2-CZ3 3.7Å; Y50-W93 HydrophobicContact CE2-CH2 4.26Å; Y50-W93 AromaticContact CE2-CZ3 3.93Å; Y50-W93 HydrophobicContact CE2-CZ3 3.93Å; Y50-W93 HydrophobicContact CG-CZ3 4.05Å; L85-W93 HydrophobicContact CB-CH2 4.04Å; L85-W93 HydrophobicContact CB-CZ2 4.5Å; L85-W93 HydrophobicContact CD2-CH2 3.64Å; L85-W93 HydrophobicContact CD2-CZ3 3.81Å; L85-W93 HydrophobicContact CG-CH2 4.03Å; N87-W93 PolarHBondContact O-NE1 3.11Å; T88-W93 HydrophobicContact CG2-CZ2 4.46Å; E90-W93 PolarHBondContact O-NE1 2.98Å
94R94Very high91.1Very high100 Ų10056 Ų5638%0.37729%0.292SS..EExtended strand (participates in β ladder)trans-118.2131.1167.8-178.616864.6123.5-10.9110V35 I36 E38 E100V35-R94 VanDerWaalsContact CA-O 3.31Å; V35-R94 WeakPolarHBondContact CA-O 3.48Å; I36-R94 HydrophobicContact CD1-CB 4.5Å; I36-R94 HydrophobicContact CG1-CB 3.97Å; I36-R94 PolarHBondContact N-O 3.06Å; I36-R94 PolarHBondContact O-N 2.89Å; E38-R94 HydrophobicContact CG-CB 4.43Å; E38-R94 WeakPolarHBondContact OE1-CB 3.49Å; E38-R94 WeakPolarHBondContact OE1-CD 3.37Å; E38-R94 IonicContact OE1-CZ 3.52Å; E38-R94 IonicContact OE1-NE 3.16Å; E38-R94 PolarHBondContact OE1-NE 3.11Å; E38-R94 IonicContact OE1-NH2 3.29Å; E38-R94 PolarHBondContact OE1-NH2 2.88Å; R94-E100 IonicContact NH1-OE1 2.98Å
95L94.6Very high91Very high62 Ų6253.7 Ų53.733%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-76.3125.816818071.3000108.8I22 L26 R33 V35I22-L95 HydrophobicContact CD1-CB 4.5Å; I22-L95 HydrophobicContact CG2-CB 3.98Å; I22-L95 HydrophobicContact CG2-CD1 4.14Å; I22-L95 HydrophobicContact CG2-CD2 4.46Å; I22-L95 HydrophobicContact CG2-CG 4.42Å; L26-L95 HydrophobicContact CD1-CD1 3.86Å; L26-L95 HydrophobicContact CD1-CD2 3.74Å; L26-L95 HydrophobicContact CD1-CG 4.44Å; L26-L95 HydrophobicContact CD2-CD2 4.22Å; L26-L95 HydrophobicContact CG-CD2 4.46Å; R33-L95 HydrophobicContact CB-CD1 3.9Å; R33-L95 HydrophobicContact CG-CD1 4.45Å; V35-L95 HydrophobicContact CG1-CD1 4.03Å
96L93.7Very high90.9Very high9 Ų957 Ų575%0.04731%0.305CS..PPolyproline II helixtrans-82.8145.3173.8-67.9178.5000111.3V34 I36 E100 A101 L104V34-L96 HydrophobicContact CB-CD1 4.47Å; V34-L96 HydrophobicContact CG1-CD1 3.94Å; V34-L96 PolarHBondContact O-N 2.87Å; V34-L96 VanDerWaalsContact O-N 3.13Å; I36-L96 HydrophobicContact CD1-CD2 3.92Å; I36-L96 HydrophobicContact CG1-CD2 4.09Å; I36-L96 HydrophobicContact CG1-CG 4.28Å; I36-L96 HydrophobicContact CG2-CD1 3.53Å; I36-L96 HydrophobicContact CG2-CD2 4.33Å; I36-L96 HydrophobicContact CG2-CG 3.95Å; L96-E100 HydrophobicContact CB-CB 4.39Å; L96-E100 HydrophobicContact CD2-CB 4.3Å; L96-A101 HydrophobicContact CB-CB 4.22Å; L96-L104 HydrophobicContact CD1-CD1 3.38Å; L96-L104 HydrophobicContact CD2-CD1 4.36Å
97S93.8Very high90.8Very high50 Ų5057.2 Ų57.235%0.3530%0.302SS..PPolyproline II helixtrans-64.5155.416664.30000110.6S99 E100 A101S97-S99 VanDerWaalsContact C-N 3.29Å; S97-S99 PolarHBondContact O-N 3.49Å; S97-E100 PolarHBondContact N-OE2 3.38Å; S97-E100 VanDerWaalsContact N-OE2 3.15Å; S97-E100 PolarHBondContact O-N 3.45Å; S97-E100 WeakPolarHBondContact OG-CB 3.11Å; S97-E100 VanDerWaalsContact OG-CD 3.28Å; S97-E100 WeakPolarHBondContact OG-CG 3.23Å; S97-E100 PolarHBondContact OG-N 2.96Å; S97-E100 PolarHBondContact OG-OE2 3.23Å; S97-A101 WeakPolarHBondContact O-CB 3.41Å; S97-A101 PolarHBondContact O-N 2.81Å
98P92.3Very high90.5Very high72 Ų7254.7 Ų54.747%0.46829%0.291SS..Hα-helixtrans-54.1-43.4179.1-26.735.4000113.3A101 E102P98-A101 WeakPolarHBondContact O-CB 3.25Å; P98-A101 PolarHBondContact O-N 3.02Å; P98-E102 WeakPolarHBondContact O-CG 3.42Å; P98-E102 PolarHBondContact O-N 3.36Å
99S93.9Very high90.1Very high89 Ų8959.1 Ų59.162%0.62232%0.318SS*.Hα-helixtrans-66.9-40.1179.8-49.60000112.9S97 R103S97-S99 VanDerWaalsContact C-N 3.29Å; S97-S99 PolarHBondContact O-N 3.49Å; S99-R103 WeakPolarHBondContact O-CB 3.41Å; S99-R103 PolarHBondContact O-N 3.06Å
100E93.1Very high89.9Confident66 Ų6661.3 Ų61.331%0.30833%0.326SS..Hα-helixtrans-67.4-38.5174-72.7171.2134.500111.9R94 L96 S97 R103 L104R94-E100 IonicContact NH1-OE1 2.98Å; L96-E100 HydrophobicContact CB-CB 4.39Å; L96-E100 HydrophobicContact CD2-CB 4.3Å; S97-E100 PolarHBondContact N-OE2 3.38Å; S97-E100 VanDerWaalsContact N-OE2 3.15Å; S97-E100 PolarHBondContact O-N 3.45Å; S97-E100 WeakPolarHBondContact OG-CB 3.11Å; S97-E100 VanDerWaalsContact OG-CD 3.28Å; S97-E100 WeakPolarHBondContact OG-CG 3.23Å; S97-E100 PolarHBondContact OG-N 2.96Å; S97-E100 PolarHBondContact OG-OE2 3.23Å; E100-R103 PolarHBondContact O-N 3.25Å; E100-L104 WeakPolarHBondContact O-CB 3.46Å; E100-L104 PolarHBondContact O-N 3.41Å
101A92.7Very high89.1Confident11 Ų1165.2 Ų65.29%0.09135%0.353CS..Hα-helixtrans-63.7-44.8177.600000111.6V34 L96 S97 P98 L104 T105V34-A101 HydrophobicContact CB-CB 3.76Å; V34-A101 HydrophobicContact CG1-CB 4.45Å; V34-A101 HydrophobicContact CG2-CB 3.74Å; L96-A101 HydrophobicContact CB-CB 4.22Å; S97-A101 WeakPolarHBondContact O-CB 3.41Å; S97-A101 PolarHBondContact O-N 2.81Å; P98-A101 WeakPolarHBondContact O-CB 3.25Å; P98-A101 PolarHBondContact O-N 3.02Å; A101-L104 PolarHBondContact O-N 3.33Å; A101-T105 VanDerWaalsContact O-CB 3.31Å; A101-T105 WeakPolarHBondContact O-CB 3.47Å; A101-T105 PolarHBondContact O-N 2.84Å; A101-T105 PolarHBondContact O-OG1 3.18Å
102E92.9Very high88.6Confident130 Ų13070.6 Ų70.661%0.60738%0.379SS*.Hα-helixtrans-60.2-49.3173.7-75.6170.9-166.600110.8P98 L104 T105 S106P98-E102 WeakPolarHBondContact O-CG 3.42Å; P98-E102 PolarHBondContact O-N 3.36Å; E102-L104 PolarHBondContact O-N 2.84Å; E102-T105 PolarHBondContact O-N 2.86Å; E102-S106 WeakPolarHBondContact O-CB 3.34Å; E102-S106 PolarHBondContact O-N 3.01Å; E102-S106 PolarHBondContact O-OG 2.72Å; E102-S106 VanDerWaalsContact O-OG 3.06Å
103R91.1Very high88.1Confident145 Ų14574.7 Ų74.755%0.54740%0.399SS..Hα-helixtrans-55.4-48.7177.6-172.8-179.370.995.9-2112.2S99 E100 S106 M107S99-R103 WeakPolarHBondContact O-CB 3.41Å; S99-R103 PolarHBondContact O-N 3.06Å; E100-R103 PolarHBondContact O-N 3.25Å; R103-S106 PolarHBondContact O-N 3.29Å; R103-M107 HydrophobicContact CG-SD 4.38Å; R103-M107 VanDerWaalsContact O-CG 3.25Å; R103-M107 WeakPolarHBondContact O-CG 3.47Å; R103-M107 PolarHBondContact O-N 2.9Å
104L88.9Confident87.6Confident30 Ų3076.2 Ų76.216%0.15741%0.412CS..Hα-helixtrans-67.5-37.6179.7-79.7169.2000112.5P47 L96 E100 A101 E102 M107 S108P47-L104 HydrophobicContact CB-CD2 4.39Å; L96-L104 HydrophobicContact CD1-CD1 3.38Å; L96-L104 HydrophobicContact CD2-CD1 4.36Å; E100-L104 WeakPolarHBondContact O-CB 3.46Å; E100-L104 PolarHBondContact O-N 3.41Å; A101-L104 PolarHBondContact O-N 3.33Å; E102-L104 PolarHBondContact O-N 2.84Å; L104-M107 HydrophobicContact CD2-SD 4.46Å; L104-M107 PolarHBondContact O-N 2.9Å; L104-S108 PolarHBondContact O-N 2.88Å
105T88.5Confident87.2Confident48 Ų4871.5 Ų71.529%0.29439%0.394SS..Hα-helixtrans-64.1-47.2175.8-560000110.2A101 E102 M107 S108 T109A101-T105 VanDerWaalsContact O-CB 3.31Å; A101-T105 WeakPolarHBondContact O-CB 3.47Å; A101-T105 PolarHBondContact O-N 2.84Å; A101-T105 PolarHBondContact O-OG1 3.18Å; E102-T105 PolarHBondContact O-N 2.86Å; T105-M107 VanDerWaalsContact C-N 3.3Å; T105-M107 PolarHBondContact O-N 3.23Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 VanDerWaalsContact O-N 3.13Å; T105-S108 PolarHBondContact O-OG 2.82Å; T105-T109 PolarHBondContact O-N 2.91Å; T105-T109 PolarHBondContact O-OG1 2.71Å; T105-T109 VanDerWaalsContact O-OG1 3.1Å
106S87.6Confident86.9Confident73 Ų7373 Ų7351%0.5141%0.407SS..Hα-helixtrans-62.2-35.1175.7-58.20000112.8E102 R103 T109E102-S106 WeakPolarHBondContact O-CB 3.34Å; E102-S106 PolarHBondContact O-N 3.01Å; E102-S106 PolarHBondContact O-OG 2.72Å; E102-S106 VanDerWaalsContact O-OG 3.06Å; R103-S106 PolarHBondContact O-N 3.29Å; S106-T109 PolarHBondContact O-N 2.85Å
107M85.3Confident86.6Confident52 Ų5276.3 Ų76.326%0.25643%0.425SS..Hα-helixtrans-65.7-39.3174-74.8176.37200112.1R103 L104 T105 T109 K110 M113R103-M107 HydrophobicContact CG-SD 4.38Å; R103-M107 VanDerWaalsContact O-CG 3.25Å; R103-M107 WeakPolarHBondContact O-CG 3.47Å; R103-M107 PolarHBondContact O-N 2.9Å; L104-M107 HydrophobicContact CD2-SD 4.46Å; L104-M107 PolarHBondContact O-N 2.9Å; T105-M107 VanDerWaalsContact C-N 3.3Å; T105-M107 PolarHBondContact O-N 3.23Å; M107-T109 VanDerWaalsContact C-N 3.29Å; M107-T109 PolarHBondContact O-N 3.16Å; M107-K110 WeakPolarHBondContact O-CB 3.29Å; M107-K110 PolarHBondContact O-N 3.48Å; M107-M113 HydrophobicContact CE-CE 3.84Å
108S81.6Confident86.4Confident22 Ų2277.2 Ų77.215%0.15443%0.429CS..Hα-helixtrans-71.9-20.8179.272.10000114.3Y49 L104 T105 K110Y49-S108 PolarHBondContact OH-OG 2.65Å; L104-S108 PolarHBondContact O-N 2.88Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 VanDerWaalsContact O-N 3.13Å; T105-S108 PolarHBondContact O-OG 2.82Å; S108-K110 PolarHBondContact O-N 3.47Å
109T80.2Confident86.3Confident109 Ų10978.1 Ų78.167%0.66943%0.434SS*.THydrogen-bonded Turntrans-70.3-20.8173.1-45.80000111.8T105 S106 M107 T111T105-T109 PolarHBondContact O-N 2.91Å; T105-T109 PolarHBondContact O-OG1 2.71Å; T105-T109 VanDerWaalsContact O-OG1 3.1Å; S106-T109 PolarHBondContact O-N 2.85Å; M107-T109 VanDerWaalsContact C-N 3.29Å; M107-T109 PolarHBondContact O-N 3.16Å; T109-T111 PolarHBondContact O-N 3.43Å
110K81.2Confident86.1Confident136 Ų13675.1 Ų75.159%0.59141%0.412SS*.SBendtrans-80.4114.7176.6-59.5-177.6-179.7-174.30109.4M107 S108 D112 M113M107-K110 WeakPolarHBondContact O-CB 3.29Å; M107-K110 PolarHBondContact O-N 3.48Å; S108-K110 PolarHBondContact O-N 3.47Å; K110-D112 PolarHBondContact O-N 3.47Å; K110-D112 VanDerWaalsContact O-N 3.15Å; K110-M113 PolarHBondContact O-N 3.2Å; K110-M113 VanDerWaalsContact O-N 3.13Å
111T72.9Confident85.9Confident122 Ų12274.8 Ų74.875%0.74842%0.417SS*.G310 helixtrans-54.6-33.8-178.8-47.40000112.8T109 M113 A114T109-T111 PolarHBondContact O-N 3.43Å; T111-M113 PolarHBondContact O-N 3.43Å; T111-M113 VanDerWaalsContact O-N 3.1Å; T111-A114 WeakPolarHBondContact O-CB 3.33Å; T111-A114 PolarHBondContact O-N 3.13Å; T111-A114 VanDerWaalsContact O-N 3.12Å
112D77.8Confident85.7Confident157 Ų15774.3 Ų74.384%0.8441%0.413SS*.G310 helixtrans-64.5-16.7-177.3-52.7-29.8000114.1K110K110-D112 PolarHBondContact O-N 3.47Å; K110-D112 VanDerWaalsContact O-N 3.15Å
113M79.3Confident85.5Confident86 Ų8669 Ų6942%0.42439%0.39SS..G310 helixtrans-97.6-1.8-180-69.2-67-144.800113.4M107 K110 T111M107-M113 HydrophobicContact CE-CE 3.84Å; K110-M113 PolarHBondContact O-N 3.2Å; K110-M113 VanDerWaalsContact O-N 3.13Å; T111-M113 PolarHBondContact O-N 3.43Å; T111-M113 VanDerWaalsContact O-N 3.1Å
114A84.5Confident85.4Confident32 Ų3263.9 Ų63.926%0.26438%0.378SS..SBendtrans-78.6143.8176.700000110.7R76 R78 T111R76-A114 WeakPolarHBondContact O-CA 3.39Å; R78-A114 HydrophobicContact CG-CB 4.22Å; T111-A114 WeakPolarHBondContact O-CB 3.33Å; T111-A114 PolarHBondContact O-N 3.13Å; T111-A114 VanDerWaalsContact O-N 3.12Å
115A86.2Confident85.2Confident1 Ų167.6 Ų67.61%0.00840%0.395CS..PPolyproline II helixtrans-58.9136.6172.500000110.6R76 R78 F180R76-A115 HydrophobicContact CB-CB 3.66Å; R76-A115 VanDerWaalsContact CZ-CB 3.48Å; R76-A115 PolarHBondContact O-N 3.21Å; R78-A115 VanDerWaalsContact CZ-O 3.31Å; R78-A115 PolarHBondContact NE-O 3.37Å; R78-A115 PolarHBondContact NH2-O 3.1Å; A115-F180 HydrophobicContact CB-CD2 3.97Å; A115-F180 HydrophobicContact CB-CE2 4.1Å
116P87.9Confident85.1Confident92 Ų9265.3 Ų65.360%0.59738%0.381SS*.PPolyproline II helixtrans-68.7155.6174.930-34.9000110.3
117D87.9Confident85.1Confident80 Ų8065.2 Ų65.243%0.42838%0.378SS..PPolyproline II helixtrans-67.7135.1167.9-74.1-55.1000110R78 P119 F180 V182R78-D117 IonicContact CZ-OD1 2.66Å; R78-D117 VanDerWaalsContact CZ-OD1 3.29Å; R78-D117 IonicContact CZ-OD2 3.28Å; R78-D117 IonicContact NH1-OD1 2.68Å; R78-D117 PolarHBondContact NH1-OD1 2.68Å; R78-D117 IonicContact NH1-OD2 3.58Å; R78-D117 IonicContact NH2-OD1 3.62Å; R78-D117 PolarHBondContact NH2-OD1 3.1Å; R78-D117 VanDerWaalsContact NH2-OD1 3.07Å; R78-D117 IonicContact NH2-OD2 2.87Å; R78-D117 PolarHBondContact NH2-OD2 2.98Å; D117-P119 WeakPolarHBondContact O-CD 3.03Å; D117-F180 WeakPolarHBondContact CA-O 3.26Å; D117-V182 HydrophobicContact CB-CB 4.44Å; D117-V182 HydrophobicContact CB-CG2 3.55Å
118V88.8Confident85.1Confident69 Ų6966.3 Ų66.342%0.41839%0.389SS..EExtended strand (participates in β ladder)trans-96.1111.2176.4-177.90000107.6V120 F180 K181 V182V118-V120 HydrophobicContact CG1-CG2 4.24Å; V118-V120 PolarHBondContact O-N 3.23Å; V118-F180 PolarHBondContact N-O 2.91Å; V118-K181 WeakPolarHBondContact O-CA 3.33Å; V118-V182 PolarHBondContact O-N 2.78Å
119P90.1Very high85.3Confident90 Ų9071.8 Ų71.858%0.58442%0.416SS*.EExtended strand (participates in β ladder)trans-69.2129.5175.331.2-35.3000108.9D117 V182 I184D117-P119 WeakPolarHBondContact O-CD 3.03Å; P119-V182 CarbonylContact C-O 3.54Å; P119-V182 WeakPolarHBondContact CA-O 3.25Å; P119-I184 HydrophobicContact CB-CD1 3.81Å; P119-I184 HydrophobicContact CB-CG1 3.79Å
120V89.4Confident85.7Confident27 Ų2769.7 Ų69.716%0.16440%0.401CS..EExtended strand (participates in β ladder)trans-125.1129.8-178.8-177.20000109.7V118 C122 H173 K181 V182 I184V118-V120 HydrophobicContact CG1-CG2 4.24Å; V118-V120 PolarHBondContact O-N 3.23Å; V120-C122 PolarHBondContact O-N 3.08Å; V120-H173 WeakPolarHBondContact CG1-NE2 2.94Å; V120-K181 HydrophobicContact CG2-CB 3.87Å; V120-K181 HydrophobicContact CG2-CD 3.83Å; V120-K181 HydrophobicContact CG2-CG 3.61Å; V120-V182 PolarHBondContact N-O 2.96Å; V120-I184 PolarHBondContact O-N 3.26Å
121S88.8Confident86Confident59 Ų5963.2 Ų63.241%0.41337%0.373SS..EExtended strand (participates in β ladder)trans-64131.2172.8-178.40000110.9V123 H173S121-V123 VanDerWaalsContact C-N 3.25Å; S121-V123 PolarHBondContact OG-N 3.16Å; S121-V123 VanDerWaalsContact OG-N 3.09Å; S121-V123 PolarHBondContact OG-O 3.38Å; S121-H173 PolarHBondContact O-NE2 3.36Å
122C88.4Confident86.6Confident0 Ų059.5 Ų59.50%035%0.348CS..  trans-91.410.4170.6-67.90000112V120 L170 T171 P183 L206V120-C122 PolarHBondContact O-N 3.08Å; C122-L170 HydrophobicContact CB-CD1 3.93Å; C122-L170 CarbonylContact O-C 3.57Å; C122-L170 WeakPolarHBondContact O-CA 3.49Å; C122-L170 WeakPolarHBondContact O-CD1 3.42Å; C122-T171 PolarHBondContact O-N 3.47Å; C122-T171 PolarHBondContact O-OG1 3.44Å; C122-P183 WeakPolarHBondContact SG-CB 3.19Å; C122-L206 HydrophobicContact CB-CD2 4.11Å
123V88.9Confident87.2Confident20 Ų2057.5 Ų57.512%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-116.1128.8-174.7-174.10000108.7S121 L168 L169 P186S121-V123 VanDerWaalsContact C-N 3.25Å; S121-V123 PolarHBondContact OG-N 3.16Å; S121-V123 VanDerWaalsContact OG-N 3.09Å; S121-V123 PolarHBondContact OG-O 3.38Å; V123-L168 HydrophobicContact CG1-CB 3.7Å; V123-L168 HydrophobicContact CG1-CD1 3.79Å; V123-L168 HydrophobicContact CG1-CD2 3.81Å; V123-L168 HydrophobicContact CG1-CG 3.93Å; V123-L169 WeakPolarHBondContact CA-O 3.46Å; V123-P186 HydrophobicContact CG2-CB 3.69Å; V123-P186 HydrophobicContact CG2-CG 3.58Å
124A88.4Confident87.7Confident37 Ų3754.6 Ų54.631%0.30632%0.318SS..EExtended strand (participates in β ladder)trans-124.8148.3171.100000110A126 L169 T171A124-A126 PolarHBondContact O-N 2.88Å; A124-L169 PolarHBondContact N-O 2.89Å; A124-L169 PolarHBondContact O-N 2.81Å; A124-T171 HydrophobicContact CB-CG2 3.6Å
125Q86.5Confident87.7Confident107 Ų10756 Ų5650%0.532%0.316SS..EExtended strand (participates in β ladder)trans-61.8134.3169.4-171.2-179.10.900109.5
126A86.1Confident87.9Confident1 Ų166 Ų661%0.00835%0.354CS..PPolyproline II helixtrans-61.3136.7172.200000109.9A124 T131 L167 L169A124-A126 PolarHBondContact O-N 2.88Å; A126-T131 WeakPolarHBondContact CB-OG1 3.17Å; A126-L167 HydrophobicContact CB-CB 4.02Å; A126-L167 HydrophobicContact CB-CD2 3.84Å; A126-L167 HydrophobicContact CB-CG 4.09Å; A126-L167 WeakPolarHBondContact CB-O 3.46Å; A126-L167 PolarHBondContact N-O 3.13Å; A126-L169 HydrophobicContact CB-CD1 4.13Å; A126-L169 HydrophobicContact CB-CG 3.94Å
127P87.2Confident88Confident70 Ų7068 Ų6846%0.45535%0.353SS..PPolyproline II helixtrans-55.2138.5173.6-26.134.3000111.1L129 L130 T131P127-L129 VanDerWaalsContact C-N 3.29Å; P127-L129 PolarHBondContact O-N 2.99Å; P127-L130 HydrophobicContact CB-CB 4.32Å; P127-L130 WeakPolarHBondContact O-CB 3.47Å; P127-L130 PolarHBondContact O-N 2.73Å; P127-T131 PolarHBondContact O-N 3.12Å; P127-T131 VanDerWaalsContact O-N 3.12Å; P127-T131 PolarHBondContact O-OG1 3.18Å
128P84.7Confident87.9Confident75 Ų7571.2 Ų71.249%0.48737%0.37SS..Hα-helixtrans-53.7-44.4-172.619.6-34000113.3L130 T131 I132 A164P128-L130 VanDerWaalsContact C-N 3.32Å; P128-L130 PolarHBondContact O-N 3.14Å; P128-T131 PolarHBondContact O-N 3.1Å; P128-I132 WeakPolarHBondContact O-CG1 3.36Å; P128-I132 PolarHBondContact O-N 3.14Å; P128-A164 VanDerWaalsContact CA-CB 3.43Å; P128-A164 HydrophobicContact CB-CB 3.28Å
129L87.2Confident88Confident137 Ų13770.9 Ų70.972%0.71737%0.368SS*.Hα-helixtrans-64.7-36.1-179.9-173.266.2000112.5P127 F133P127-L129 VanDerWaalsContact C-N 3.29Å; P127-L129 PolarHBondContact O-N 2.99Å; L129-F133 VanDerWaalsContact O-CB 3.31Å; L129-F133 WeakPolarHBondContact O-CB 3.48Å; L129-F133 PolarHBondContact O-N 2.86Å
130L87.2Confident87.8Confident66 Ų6667.3 Ų67.335%0.34634%0.344SS..Hα-helixtrans-67.4-44177.2-179.766000110.3P127 P128 I132 F133 L134 L169P127-L130 HydrophobicContact CB-CB 4.32Å; P127-L130 WeakPolarHBondContact O-CB 3.47Å; P127-L130 PolarHBondContact O-N 2.73Å; P128-L130 VanDerWaalsContact C-N 3.32Å; P128-L130 PolarHBondContact O-N 3.14Å; L130-I132 PolarHBondContact O-N 2.92Å; L130-F133 PolarHBondContact O-N 3Å; L130-L134 HydrophobicContact CD1-CD1 4.21Å; L130-L134 HydrophobicContact CD1-CG 4.2Å; L130-L134 HydrophobicContact CG-CD1 3.98Å; L130-L134 HydrophobicContact CG-CG 4.37Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.27Å; L130-L169 HydrophobicContact CD2-CD1 4.02Å
131T87.3Confident87.8Confident0 Ų068.2 Ų68.20%035%0.351CS..Hα-helixtrans-57.5-49.2176.2-53.70000110.9A126 P127 P128 F133 L134 R135 L167A126-T131 WeakPolarHBondContact CB-OG1 3.17Å; P127-T131 PolarHBondContact O-N 3.12Å; P127-T131 VanDerWaalsContact O-N 3.12Å; P127-T131 PolarHBondContact O-OG1 3.18Å; P128-T131 PolarHBondContact O-N 3.1Å; T131-F133 VanDerWaalsContact C-N 3.34Å; T131-F133 PolarHBondContact O-N 3.13Å; T131-L134 PolarHBondContact O-N 3.15Å; T131-R135 WeakPolarHBondContact O-CB 3.36Å; T131-R135 VanDerWaalsContact O-CG 3.32Å; T131-R135 WeakPolarHBondContact O-CG 3.44Å; T131-R135 PolarHBondContact O-N 3.42Å; T131-L167 HydrophobicContact CG2-CB 4.19Å; T131-L167 HydrophobicContact CG2-CD2 4.45Å
132I86.4Confident87.7Confident43 Ų4369.9 Ų69.922%0.22136%0.36CS..Hα-helixtrans-60.5-44177.6-66.2166.2000111.1P128 L130 R135 R136P128-I132 WeakPolarHBondContact O-CG1 3.36Å; P128-I132 PolarHBondContact O-N 3.14Å; L130-I132 PolarHBondContact O-N 2.92Å; I132-R135 PolarHBondContact O-N 2.97Å; I132-R136 HydrophobicContact CG2-CG 4.47Å; I132-R136 WeakPolarHBondContact O-CG 2.77Å; I132-R136 PolarHBondContact O-N 2.94Å
133F89.7Confident87.8Confident116 Ų11673.9 Ų73.951%0.50939%0.386SS..Hα-helixtrans-61.5-47.1179175.8-95.8000112.2L129 L130 T131 R136 K137L129-F133 VanDerWaalsContact O-CB 3.31Å; L129-F133 WeakPolarHBondContact O-CB 3.48Å; L129-F133 PolarHBondContact O-N 2.86Å; L130-F133 PolarHBondContact O-N 3Å; T131-F133 VanDerWaalsContact C-N 3.34Å; T131-F133 PolarHBondContact O-N 3.13Å; F133-R136 PolarHBondContact O-N 2.91Å; F133-K137 HydrophobicContact CE1-CG 4.33Å; F133-K137 HydrophobicContact CE2-CG 4.35Å; F133-K137 HydrophobicContact CZ-CG 4.15Å; F133-K137 WeakPolarHBondContact O-CG 3.38Å; F133-K137 PolarHBondContact O-N 2.97Å; F133-K137 VanDerWaalsContact O-N 3.15Å
134L89.5Confident87.8Confident25 Ų2573.8 Ų73.813%0.13139%0.385CS..Hα-helixtrans-65.9-38.6179.3-68.3173.8000112L130 T131 K137 N138 V139 L140 L167 Y195L130-L134 HydrophobicContact CD1-CD1 4.21Å; L130-L134 HydrophobicContact CD1-CG 4.2Å; L130-L134 HydrophobicContact CG-CD1 3.98Å; L130-L134 HydrophobicContact CG-CG 4.37Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.27Å; T131-L134 PolarHBondContact O-N 3.15Å; L134-K137 PolarHBondContact O-N 2.84Å; L134-N138 PolarHBondContact O-N 3.07Å; L134-V139 HydrophobicContact CD2-CB 4.28Å; L134-V139 HydrophobicContact CD2-CG1 4.07Å; L134-V139 PolarHBondContact O-N 2.68Å; L134-L140 HydrophobicContact CB-CD1 4.11Å; L134-L140 HydrophobicContact CB-CD2 4.12Å; L134-L140 HydrophobicContact CB-CG 3.87Å; L134-L140 HydrophobicContact CD1-CD2 4.18Å; L134-L167 HydrophobicContact CD1-CD2 4.24Å; L134-Y195 HydrophobicContact CD1-CD1 4.48Å
135R86.3Confident87.7Confident61 Ų6173.5 Ų73.523%0.2338%0.38CS..Hα-helixtrans-60.3-51.2173-75.4-179.1-177.8-150.30.9111.4T131 I132 K137 N138 L140 E149T131-R135 WeakPolarHBondContact O-CB 3.36Å; T131-R135 VanDerWaalsContact O-CG 3.32Å; T131-R135 WeakPolarHBondContact O-CG 3.44Å; T131-R135 PolarHBondContact O-N 3.42Å; I132-R135 PolarHBondContact O-N 2.97Å; R135-K137 PolarHBondContact O-N 3.45Å; R135-N138 PolarHBondContact O-N 2.91Å; R135-N138 PolarHBondContact O-OD1 2.85Å; R135-L140 HydrophobicContact CG-CD1 3.7Å; R135-E149 IonicContact CZ-OE1 3.96Å; R135-E149 IonicContact NH1-OE1 3.37Å; R135-E149 PolarHBondContact NH1-OE1 3.41Å; R135-E149 IonicContact NH2-OE1 3.98Å
136R88.6Confident87.7Confident210 Ų21073.7 Ų73.779%0.79238%0.381SS*.Hα-helixtrans-61.4-27.1179.7-74.7-179.6179.2-179.81113.8I132 F133 N138I132-R136 HydrophobicContact CG2-CG 4.47Å; I132-R136 WeakPolarHBondContact O-CG 2.77Å; I132-R136 PolarHBondContact O-N 2.94Å; F133-R136 PolarHBondContact O-N 2.91Å; R136-N138 VanDerWaalsContact C-N 3.34Å
137K90.6Very high87.8Confident136 Ų13676.3 Ų76.359%0.59139%0.393SS*.THydrogen-bonded Turntrans-87.60.1177.4-70.3-70.1-174.6-179.20113.5F133 L134 R135 V139F133-K137 HydrophobicContact CE1-CG 4.33Å; F133-K137 HydrophobicContact CE2-CG 4.35Å; F133-K137 HydrophobicContact CZ-CG 4.15Å; F133-K137 WeakPolarHBondContact O-CG 3.38Å; F133-K137 PolarHBondContact O-N 2.97Å; F133-K137 VanDerWaalsContact O-N 3.15Å; L134-K137 PolarHBondContact O-N 2.84Å; R135-K137 PolarHBondContact O-N 3.45Å; K137-V139 HydrophobicContact CB-CG2 3.62Å; K137-V139 PolarHBondContact O-N 3.24Å
138N87Confident87.7Confident147 Ų14773 Ų7379%0.78637%0.372SS*.THydrogen-bonded Turntrans51.134.6-174.2-61.3-40.1000112.8L134 R135 R136L134-N138 PolarHBondContact O-N 3.07Å; R135-N138 PolarHBondContact O-N 2.91Å; R135-N138 PolarHBondContact O-OD1 2.85Å; R136-N138 VanDerWaalsContact C-N 3.34Å
139V89.3Confident87.6Confident61 Ų6173.4 Ų73.437%0.3737%0.367SS..  trans-84.3-28.8-179.2171.80000110.9L134 K137 Y195L134-V139 HydrophobicContact CD2-CB 4.28Å; L134-V139 HydrophobicContact CD2-CG1 4.07Å; L134-V139 PolarHBondContact O-N 2.68Å; K137-V139 HydrophobicContact CB-CG2 3.62Å; K137-V139 PolarHBondContact O-N 3.24Å; V139-Y195 HydrophobicContact CG1-CE1 3.59Å; V139-Y195 WeakPolarHBondContact CG1-OH 3.23Å; V139-Y195 PolarHBondContact O-OH 3.17Å
140L87.4Confident87.4Confident16 Ų1672.7 Ų72.78%0.08436%0.358CS..SBendtrans-75.5131.6178.8-62.5175.7000110.6L134 R135 V145 L167 Y195L134-L140 HydrophobicContact CB-CD1 4.11Å; L134-L140 HydrophobicContact CB-CD2 4.12Å; L134-L140 HydrophobicContact CB-CG 3.87Å; L134-L140 HydrophobicContact CD1-CD2 4.18Å; R135-L140 HydrophobicContact CG-CD1 3.7Å; L140-V145 HydrophobicContact CB-CG2 3.77Å; L140-V145 HydrophobicContact CD1-CG2 4.23Å; L140-L167 HydrophobicContact CD1-CD2 4.41Å; L140-L167 HydrophobicContact CD2-CD1 4.05Å; L140-L167 HydrophobicContact CD2-CD2 4.1Å; L140-Y195 HydrophobicContact CD2-CD1 3.59Å; L140-Y195 HydrophobicContact CD2-CD2 4.24Å; L140-Y195 HydrophobicContact CD2-CE1 4.35Å; L140-Y195 HydrophobicContact CD2-CG 3.52Å
141P88.7Confident86.8Confident46 Ų4670.7 Ų70.730%0.29935%0.349SS..  trans-61.5141171.7-21.932.7000111.5P143 V144 V145 Y195P141-P143 VanDerWaalsContact C-CD 3.4Å; P141-P143 HydrophobicContact CB-CG 4.13Å; P141-V144 HydrophobicContact CB-CG2 4.17Å; P141-V144 HydrophobicContact CG-CG2 4.23Å; P141-V144 PolarHBondContact O-N 3.16Å; P141-V144 VanDerWaalsContact O-N 3.12Å; P141-V145 PolarHBondContact O-N 2.84Å; P141-Y195 VanDerWaalsContact CD-CD2 3.47Å; P141-Y195 HydrophobicContact CG-CD2 4.14Å; P141-Y195 HydrophobicContact CG-CE2 4.08Å
142P87.3Confident85.9Confident93 Ų9371.1 Ų71.160%0.60435%0.352SS*.Hα-helixtrans-47.9-45.3175.1-25.933000115.5V144 V145 E146P142-V144 VanDerWaalsContact C-N 3.28Å; P142-V144 PolarHBondContact O-N 2.87Å; P142-V145 PolarHBondContact O-N 2.85Å; P142-V145 VanDerWaalsContact O-N 3.14Å; P142-E146 PolarHBondContact O-N 3.4Å
143P89.1Confident84.6Confident85 Ų8576.5 Ų76.555%0.55238%0.376SS*.Hα-helixtrans-64.4-31.2-177.924.5-35.7000113.3P141 E147P141-P143 VanDerWaalsContact C-CD 3.4Å; P141-P143 HydrophobicContact CB-CG 4.13Å; P143-E147 WeakPolarHBondContact O-CB 3.4Å; P143-E147 PolarHBondContact O-N 2.91Å
144V89.2Confident83.1Confident17 Ų1775.8 Ų75.810%0.10339%0.386CS..Hα-helixtrans-70.7-37.3178.4179.30000110.5P141 P142 A148 L167P141-V144 HydrophobicContact CB-CG2 4.17Å; P141-V144 HydrophobicContact CG-CG2 4.23Å; P141-V144 PolarHBondContact O-N 3.16Å; P141-V144 VanDerWaalsContact O-N 3.12Å; P142-V144 VanDerWaalsContact C-N 3.28Å; P142-V144 PolarHBondContact O-N 2.87Å; V144-A148 VanDerWaalsContact O-CB 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.38Å; V144-A148 PolarHBondContact O-N 3.44Å; V144-L167 HydrophobicContact CG1-CD1 3.76Å
145V86.8Confident81.7Confident32 Ų3278.7 Ų78.719%0.19440%0.401CS..Hα-helixtrans-67.7-47.7178.6-179.90000110.3L140 P141 P142 E147 A148 E149L140-V145 HydrophobicContact CB-CG2 3.77Å; L140-V145 HydrophobicContact CD1-CG2 4.23Å; P141-V145 PolarHBondContact O-N 2.84Å; P142-V145 PolarHBondContact O-N 2.85Å; P142-V145 VanDerWaalsContact O-N 3.14Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.41Å; V145-A148 PolarHBondContact O-N 2.89Å; V145-E149 HydrophobicContact CG1-CG 4.49Å; V145-E149 WeakPolarHBondContact O-CG 3.39Å; V145-E149 PolarHBondContact O-N 3.25Å
146E87.2Confident80.7Confident110 Ų11083.8 Ų83.851%0.51443%0.432SS..Hα-helixtrans-57.5-44.2177.6-70.7177.6-165.800111.9P142 E149 K150P142-E146 PolarHBondContact O-N 3.4Å; E146-E149 PolarHBondContact O-N 3.09Å; E146-K150 VanDerWaalsContact O-CG 3.3Å; E146-K150 WeakPolarHBondContact O-CG 3.5Å; E146-K150 PolarHBondContact O-N 2.9Å
147E86.7Confident79.5Confident56 Ų5675.8 Ų75.826%0.26241%0.405SS..Hα-helixtrans-72.3-34.7-177.8-154.263.7-170.500112.7P143 V145 E149 K150 S151 S192 R193P143-E147 WeakPolarHBondContact O-CB 3.4Å; P143-E147 PolarHBondContact O-N 2.91Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.41Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-K150 WeakPolarHBondContact OE2-CD 3.29Å; E147-K150 IonicContact OE2-NZ 2.88Å; E147-K150 PolarHBondContact OE2-NZ 2.89Å; E147-S151 PolarHBondContact O-N 3.43Å; E147-S192 WeakPolarHBondContact CG-OG 3.38Å; E147-R193 HydrophobicContact CB-CG 4.33Å; E147-R193 HydrophobicContact CG-CG 4.2Å
148A84.8Confident78.4Confident2 Ų276.1 Ų76.12%0.01741%0.409CS..Hα-helixtrans-64-40.4171.900000111.6V144 V145 S151 T152V144-A148 VanDerWaalsContact O-CB 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.38Å; V144-A148 PolarHBondContact O-N 3.44Å; V145-A148 PolarHBondContact O-N 2.89Å; A148-S151 PolarHBondContact O-N 3.17Å; A148-S151 PolarHBondContact O-OG 3Å; A148-T152 PolarHBondContact O-N 2.82Å; A148-T152 PolarHBondContact O-OG1 2.76Å
149E82.9Confident77.3Confident83 Ų8376.3 Ų76.339%0.38841%0.405SS..Hα-helixtrans-69.1-47.3178.6-73176.9177.300111.9R135 V145 E146 E147 S151 T152 H153R135-E149 IonicContact CZ-OE1 3.96Å; R135-E149 IonicContact NH1-OE1 3.37Å; R135-E149 PolarHBondContact NH1-OE1 3.41Å; R135-E149 IonicContact NH2-OE1 3.98Å; V145-E149 HydrophobicContact CG1-CG 4.49Å; V145-E149 WeakPolarHBondContact O-CG 3.39Å; V145-E149 PolarHBondContact O-N 3.25Å; E146-E149 PolarHBondContact O-N 3.09Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E149-S151 PolarHBondContact O-N 3.43Å; E149-T152 PolarHBondContact O-N 3.29Å; E149-H153 PolarHBondContact O-CD2 2.9Å; E149-H153 PolarHBondContact O-N 3.29Å
150K82.9Confident75.9Confident121 Ų12176.9 Ų76.953%0.52641%0.411SS..Hα-helixtrans-50.7-42.9173.6-74.4176.4-154.4158.60112.3E146 E147 T152E146-K150 VanDerWaalsContact O-CG 3.3Å; E146-K150 WeakPolarHBondContact O-CG 3.5Å; E146-K150 PolarHBondContact O-N 2.9Å; E147-K150 WeakPolarHBondContact OE2-CD 3.29Å; E147-K150 IonicContact OE2-NZ 2.88Å; E147-K150 PolarHBondContact OE2-NZ 2.89Å; K150-T152 VanDerWaalsContact C-N 3.33Å; K150-T152 PolarHBondContact O-N 3.39Å
151S75.5Confident74.6Confident24 Ų2480.4 Ų80.417%0.16843%0.429CS..Hα-helixtrans-71.7-24.9-179.475.30000114.6E147 A148 E149 S154E147-S151 PolarHBondContact O-N 3.43Å; A148-S151 PolarHBondContact O-N 3.17Å; A148-S151 PolarHBondContact O-OG 3Å; E149-S151 PolarHBondContact O-N 3.43Å; S151-S154 PolarHBondContact O-OG 3.41Å
152T68Low73.4Confident9 Ų983.9 Ų83.96%0.05544%0.436CS..Hα-helixtrans-81.3-27.1-176.7-65.50000112.3A148 E149 K150 S154 L155 R162 S165A148-T152 PolarHBondContact O-N 2.82Å; A148-T152 PolarHBondContact O-OG1 2.76Å; E149-T152 PolarHBondContact O-N 3.29Å; K150-T152 VanDerWaalsContact C-N 3.33Å; K150-T152 PolarHBondContact O-N 3.39Å; T152-S154 PolarHBondContact O-N 3.12Å; T152-L155 PolarHBondContact O-N 2.96Å; T152-L155 VanDerWaalsContact O-N 3.11Å; T152-R162 HydrophobicContact CG2-CB 3.91Å; T152-R162 HydrophobicContact CG2-CG 3.91Å; T152-S165 WeakPolarHBondContact CG2-OG 3.31Å; T152-S165 PolarHBondContact OG1-O 3.29Å; T152-S165 PolarHBondContact OG1-OG 3.08Å
153H59.1Low72Confident157 Ų15783.8 Ų83.873%0.72743%0.428SS*.THydrogen-bonded Turntrans-59.3-19.8-174.8-78.4-69.1000114.9E149E149-H153 PolarHBondContact O-CD2 2.9Å; E149-H153 PolarHBondContact O-N 3.29Å
154S58.8Low70.5Confident101 Ų10179.9 Ų79.971%0.70640%0.402SS*.THydrogen-bonded Turntrans-83.4-9.8179.857.10000114.7S151 T152S151-S154 PolarHBondContact O-OG 3.41Å; T152-S154 PolarHBondContact O-N 3.12Å
155L59.9Low69.3Low85 Ų8579.4 Ų79.445%0.44540%0.4SS..SBendtrans-104.5128.9-172.3-61.2168.7000111.9T152 I157T152-L155 PolarHBondContact O-N 2.96Å; T152-L155 VanDerWaalsContact O-N 3.11Å; L155-I157 HydrophobicContact CB-CB 4.26Å; L155-I157 HydrophobicContact CB-CD1 3.39Å; L155-I157 HydrophobicContact CB-CG1 3.66Å; L155-I157 HydrophobicContact CD1-CD1 3.54Å; L155-I157 HydrophobicContact CG-CD1 3.99Å; L155-I157 PolarHBondContact O-N 2.96Å
156D64.2Low68.6Low168 Ų16878.5 Ų78.590%0.89840%0.397SS*.  trans-76.560.6175.5-154.914.7000111.2
157I64.7Low68.4Low43 Ų4373.4 Ų73.422%0.22137%0.373CS..  trans-108.1146-169.2-76178.5000110.6L155 M161 R162L155-I157 HydrophobicContact CB-CB 4.26Å; L155-I157 HydrophobicContact CB-CD1 3.39Å; L155-I157 HydrophobicContact CB-CG1 3.66Å; L155-I157 HydrophobicContact CD1-CD1 3.54Å; L155-I157 HydrophobicContact CG-CD1 3.99Å; L155-I157 PolarHBondContact O-N 2.96Å; I157-M161 HydrophobicContact CG2-CB 3.06Å; I157-M161 HydrophobicContact CG2-CE 4.12Å; I157-M161 HydrophobicContact CG2-CG 4.13Å; I157-M161 HydrophobicContact CG2-SD 4.08Å; I157-R162 HydrophobicContact CB-CG 4.37Å; I157-R162 HydrophobicContact CG2-CG 4.27Å; I157-R162 PolarHBondContact O-NE 3.18Å
158Q65.9Low68.5Low142 Ų14272 Ų7266%0.66437%0.367SS*.  trans-51.5143.6173.7-71.3-176.3-33.300112.2S160 M161 R162Q158-S160 VanDerWaalsContact C-N 3.29Å; Q158-S160 PolarHBondContact O-N 3.05Å; Q158-S160 VanDerWaalsContact O-N 3.17Å; Q158-M161 HydrophobicContact CB-CB 4.5Å; Q158-M161 CarbonylContact O-C 3.43Å; Q158-M161 WeakPolarHBondContact O-CA 3.39Å; Q158-M161 WeakPolarHBondContact O-CB 3.45Å; Q158-M161 PolarHBondContact O-N 2.91Å; Q158-R162 PolarHBondContact O-N 3.39Å
159Q65.3Low68.6Low151 Ų15173.9 Ų73.971%0.70638%0.377SS*.Hα-helixtrans-54.1-39.8-175.5-172172.2-0.700114M161 R162 E163Q159-M161 VanDerWaalsContact C-N 3.32Å; Q159-M161 PolarHBondContact O-N 2.93Å; Q159-R162 WeakPolarHBondContact O-CB 3.45Å; Q159-R162 PolarHBondContact O-N 2.81Å; Q159-R162 VanDerWaalsContact O-N 3.14Å; Q159-E163 PolarHBondContact O-N 2.99Å
160S59.4Low68.9Low73 Ų7370.9 Ų70.951%0.5136%0.364SS..Hα-helixtrans-64.2-35.4175.454.50000113.1Q158 A164Q158-S160 VanDerWaalsContact C-N 3.29Å; Q158-S160 PolarHBondContact O-N 3.05Å; Q158-S160 VanDerWaalsContact O-N 3.17Å; S160-A164 WeakPolarHBondContact O-CB 3.42Å; S160-A164 PolarHBondContact O-N 3.24Å
161M59.3Low69.2Low91 Ų9167.6 Ų67.645%0.44835%0.354SS..Hα-helixtrans-75.7-29.7173.8-73.3-177.670.400111.4I157 Q158 Q159 A164 S165I157-M161 HydrophobicContact CG2-CB 3.06Å; I157-M161 HydrophobicContact CG2-CE 4.12Å; I157-M161 HydrophobicContact CG2-CG 4.13Å; I157-M161 HydrophobicContact CG2-SD 4.08Å; Q158-M161 HydrophobicContact CB-CB 4.5Å; Q158-M161 CarbonylContact O-C 3.43Å; Q158-M161 WeakPolarHBondContact O-CA 3.39Å; Q158-M161 WeakPolarHBondContact O-CB 3.45Å; Q158-M161 PolarHBondContact O-N 2.91Å; Q159-M161 VanDerWaalsContact C-N 3.32Å; Q159-M161 PolarHBondContact O-N 2.93Å; M161-A164 CarbonylContact O-C 3.57Å; M161-A164 PolarHBondContact O-N 3.38Å; M161-S165 WeakPolarHBondContact O-CA 3.33Å; M161-S165 WeakPolarHBondContact O-CB 3.38Å; M161-S165 PolarHBondContact O-N 2.97Å; M161-S165 PolarHBondContact O-OG 2.84Å
162R63.6Low69.7Low118 Ų11868.9 Ų68.945%0.44536%0.361SS..Hα-helixtrans-65.5-43.2171.9-69.3-174.5-172.9-178.7-2112.8T152 I157 Q158 Q159 A164 S165T152-R162 HydrophobicContact CG2-CB 3.91Å; T152-R162 HydrophobicContact CG2-CG 3.91Å; I157-R162 HydrophobicContact CB-CG 4.37Å; I157-R162 HydrophobicContact CG2-CG 4.27Å; I157-R162 PolarHBondContact O-NE 3.18Å; Q158-R162 PolarHBondContact O-N 3.39Å; Q159-R162 WeakPolarHBondContact O-CB 3.45Å; Q159-R162 PolarHBondContact O-N 2.81Å; Q159-R162 VanDerWaalsContact O-N 3.14Å; R162-A164 PolarHBondContact O-N 3.14Å; R162-S165 VanDerWaalsContact CA-OG 3.26Å; R162-S165 WeakPolarHBondContact CA-OG 3.4Å; R162-S165 PolarHBondContact O-N 2.97Å; R162-S165 PolarHBondContact O-OG 3.33Å; R162-S165 VanDerWaalsContact O-OG 3.08Å
163E59.5Low70.6Confident92 Ų9270.7 Ų70.743%0.4337%0.369SS..Hα-helixtrans-63.9-25.7175.9-71.6177.1-167.100112.5Q159Q159-E163 PolarHBondContact O-N 2.99Å
164A57.6Low71.8Confident3 Ų373.8 Ų73.83%0.02537%0.374CS..Hα-helixtrans-93.1-22.3179.200000114.6P128 S160 M161 R162P128-A164 VanDerWaalsContact CA-CB 3.43Å; P128-A164 HydrophobicContact CB-CB 3.28Å; S160-A164 WeakPolarHBondContact O-CB 3.42Å; S160-A164 PolarHBondContact O-N 3.24Å; M161-A164 CarbonylContact O-C 3.57Å; M161-A164 PolarHBondContact O-N 3.38Å; R162-A164 PolarHBondContact O-N 3.14Å
165S62.6Low73Confident7 Ų774.3 Ų74.35%0.04936%0.362CS..SBendtrans-85.4147.1-168.955.20000112.2T152 M161 R162T152-S165 WeakPolarHBondContact CG2-OG 3.31Å; T152-S165 PolarHBondContact OG1-O 3.29Å; T152-S165 PolarHBondContact OG1-OG 3.08Å; M161-S165 WeakPolarHBondContact O-CA 3.33Å; M161-S165 WeakPolarHBondContact O-CB 3.38Å; M161-S165 PolarHBondContact O-N 2.97Å; M161-S165 PolarHBondContact O-OG 2.84Å; R162-S165 VanDerWaalsContact CA-OG 3.26Å; R162-S165 WeakPolarHBondContact CA-OG 3.4Å; R162-S165 PolarHBondContact O-N 2.97Å; R162-S165 PolarHBondContact O-OG 3.33Å; R162-S165 VanDerWaalsContact O-OG 3.08Å
166G72.9Confident74.1Confident13 Ų1373.7 Ų73.713%0.13436%0.359CS..SBendtrans108.5-37.8174.800000113.9L168 R193G166-L168 PolarHBondContact O-N 3Å; G166-R193 WeakPolarHBondContact O-CB 3.38Å
167L83.8Confident74.9Confident3 Ų368 Ų682%0.01633%0.331CS..  trans-72.3129.4178.9-169.277.5000110.9A126 T131 L134 L140 V144 R193A126-L167 HydrophobicContact CB-CB 4.02Å; A126-L167 HydrophobicContact CB-CD2 3.84Å; A126-L167 HydrophobicContact CB-CG 4.09Å; A126-L167 WeakPolarHBondContact CB-O 3.46Å; A126-L167 PolarHBondContact N-O 3.13Å; T131-L167 HydrophobicContact CG2-CB 4.19Å; T131-L167 HydrophobicContact CG2-CD2 4.45Å; L134-L167 HydrophobicContact CD1-CD2 4.24Å; L140-L167 HydrophobicContact CD1-CD2 4.41Å; L140-L167 HydrophobicContact CD2-CD1 4.05Å; L140-L167 HydrophobicContact CD2-CD2 4.1Å; V144-L167 HydrophobicContact CG1-CD1 3.76Å; L167-R193 WeakPolarHBondContact CD1-O 3.37Å
168L87Confident75.9Confident25 Ų2567.5 Ų67.513%0.13133%0.33CS..EExtended strand (participates in β ladder)trans-112.3145.6-177.8-61.7173.9000111.1V123 G166 E190 R193 M194 Y195V123-L168 HydrophobicContact CG1-CB 3.7Å; V123-L168 HydrophobicContact CG1-CD1 3.79Å; V123-L168 HydrophobicContact CG1-CD2 3.81Å; V123-L168 HydrophobicContact CG1-CG 3.93Å; G166-L168 PolarHBondContact O-N 3Å; L168-E190 HydrophobicContact CD1-CB 3.76Å; L168-E190 HydrophobicContact CD1-CG 3.79Å; L168-R193 HydrophobicContact CD1-CB 4.14Å; L168-R193 HydrophobicContact CG-CB 4.31Å; L168-R193 PolarHBondContact N-O 3.34Å; L168-M194 HydrophobicContact CB-CG 3.73Å; L168-M194 WeakPolarHBondContact O-CA 3.19Å; L168-Y195 PolarHBondContact O-N 3.28Å
169L88.7Confident76.9Confident42 Ų4262.3 Ų62.322%0.2231%0.309CS..EExtended strand (participates in β ladder)trans-116.9139.9174-63.2178.4000110V123 A124 A126 L130 T171 Y195V123-L169 WeakPolarHBondContact CA-O 3.46Å; A124-L169 PolarHBondContact N-O 2.89Å; A124-L169 PolarHBondContact O-N 2.81Å; A126-L169 HydrophobicContact CB-CD1 4.13Å; A126-L169 HydrophobicContact CB-CG 3.94Å; L130-L169 HydrophobicContact CD2-CD1 4.02Å; L169-T171 PolarHBondContact O-N 2.96Å; L169-Y195 WeakPolarHBondContact CD2-O 3.37Å
170L89.1Confident77.9Confident21 Ų2155.9 Ų55.911%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-74.7119.1167.9-164.570.1000109.2C122 P172 P186 M194 Y198 A202 L206C122-L170 HydrophobicContact CB-CD1 3.93Å; C122-L170 CarbonylContact O-C 3.57Å; C122-L170 WeakPolarHBondContact O-CA 3.49Å; C122-L170 WeakPolarHBondContact O-CD1 3.42Å; L170-P172 WeakPolarHBondContact O-CD 3.31Å; L170-P186 HydrophobicContact CD1-CG 4.06Å; L170-M194 HydrophobicContact CB-CE 3.45Å; L170-M194 VanDerWaalsContact CB-CE 3.45Å; L170-M194 HydrophobicContact CD1-CE 3.77Å; L170-M194 HydrophobicContact CG-CE 4.15Å; L170-Y198 HydrophobicContact CD1-CD2 4.13Å; L170-Y198 HydrophobicContact CD1-CE2 4.01Å; L170-Y198 HydrophobicContact CD2-CD2 4.39Å; L170-Y198 HydrophobicContact CD2-CE2 4.38Å; L170-A202 HydrophobicContact CD2-CB 3.99Å; L170-L206 HydrophobicContact CD1-CD2 3.7Å; L170-L206 HydrophobicContact CD2-CD2 4.05Å; L170-L206 HydrophobicContact CG-CD2 4.29Å
171T88.2Confident79.2Confident52 Ų5257 Ų5732%0.31928%0.275SS..  trans-105.491.6172.257.10000109.6C122 A124 L169 H173C122-T171 PolarHBondContact O-N 3.47Å; C122-T171 PolarHBondContact O-OG1 3.44Å; A124-T171 HydrophobicContact CB-CG2 3.6Å; L169-T171 PolarHBondContact O-N 2.96Å; T171-H173 PolarHBondContact O-N 3.47Å
172P86.7Confident80.6Confident51 Ų5155.8 Ų55.833%0.33127%0.272SS..PPolyproline II helixtrans-65.6134.2174.727.6-34.8000110.4L170 L206 I208L170-P172 WeakPolarHBondContact O-CD 3.31Å; P172-L206 CarbonylContact C-O 3.52Å; P172-L206 WeakPolarHBondContact CA-O 3.42Å; P172-I208 HydrophobicContact CB-CD1 3.81Å; P172-I208 HydrophobicContact CB-CG1 3.99Å; P172-I208 HydrophobicContact CG-CD1 3.74Å; P172-I208 HydrophobicContact CG-CG1 4.41Å
173H85.7Confident81.8Confident47 Ų4751.7 Ų51.722%0.21826%0.261CS..EExtended strand (participates in β ladder)trans-87.1146.1-178.9-70.5-76.1000110.8V120 S121 T171 L206 I207 I208V120-H173 WeakPolarHBondContact CG1-NE2 2.94Å; S121-H173 PolarHBondContact O-NE2 3.36Å; T171-H173 PolarHBondContact O-N 3.47Å; H173-L206 PolarHBondContact N-O 2.96Å; H173-I207 CarbonylContact O-C 3.59Å; H173-I207 WeakPolarHBondContact O-CA 3.26Å; H173-I208 PolarHBondContact O-N 2.96Å
174R84.4Confident83.3Confident221 Ų22151.4 Ų51.483%0.83426%0.261SS*.EExtended strand (participates in β ladder)trans-70137169.9-69.5-172.1179.7-176.51.7109.4D176R174-D176 PolarHBondContact O-N 3.13Å
175Y83.6Confident84.8Confident112 Ų11257.2 Ų57.244%0.43929%0.288SS..PPolyproline II helixtrans-64.1117172.4-177.1-113.3000110.5P177 I207 I208 K209Y175-P177 HydrophobicContact CE1-CB 4.17Å; Y175-P177 HydrophobicContact CE1-CG 4.43Å; Y175-I207 HydrophobicContact CD2-CG2 3.74Å; Y175-I207 HydrophobicContact CG-CG2 4.07Å; Y175-I208 WeakPolarHBondContact CB-O 3.08Å; Y175-I208 PolarHBondContact N-O 3.43Å; Y175-K209 HydrophobicContact CD1-CG 4.44Å; Y175-K209 HydrophobicContact CG-CG 4.12Å
176D84.8Confident86Confident72 Ų7257.1 Ų57.139%0.38529%0.287SS..  trans-125112.7166177.2-1.2000108.8R174 T178 S179R174-D176 PolarHBondContact O-N 3.13Å; D176-T178 VanDerWaalsContact CG-OG1 3.32Å; D176-T178 PolarHBondContact O-N 3.26Å; D176-T178 VanDerWaalsContact O-N 3.13Å; D176-T178 PolarHBondContact OD1-N 3.5Å; D176-T178 PolarHBondContact OD1-OG1 3.36Å; D176-T178 PolarHBondContact OD2-OG1 2.75Å; D176-S179 PolarHBondContact O-N 3.44Å; D176-S179 VanDerWaalsContact O-N 3.16Å; D176-S179 PolarHBondContact O-OG 2.95Å
177P81.2Confident86.9Confident49 Ų4960.1 Ų60.132%0.31830%0.303SS..THydrogen-bonded Turntrans-63.7-17.8-178.127.5-35.3000113.6L80 Y175 F180L80-P177 HydrophobicContact CD1-CB 4.46Å; L80-P177 HydrophobicContact CD2-CB 4.12Å; Y175-P177 HydrophobicContact CE1-CB 4.17Å; Y175-P177 HydrophobicContact CE1-CG 4.43Å; P177-F180 WeakPolarHBondContact O-CE1 3.48Å
178T85.4Confident87.2Confident33 Ų3365 Ų6520%0.20234%0.337CS..THydrogen-bonded Turntrans-91.2-14.7179.764.50000113.7R73 F75 L80 D176R73-T178 VanDerWaalsContact NH1-CG2 3.35Å; F75-T178 HydrophobicContact CD1-CG2 4.01Å; F75-T178 HydrophobicContact CE1-CG2 4.14Å; F75-T178 WeakPolarHBondContact CE1-O 3.24Å; F75-T178 HydrophobicContact CG-CG2 4.4Å; L80-T178 HydrophobicContact CD1-CG2 4.18Å; D176-T178 VanDerWaalsContact CG-OG1 3.32Å; D176-T178 PolarHBondContact O-N 3.26Å; D176-T178 VanDerWaalsContact O-N 3.13Å; D176-T178 PolarHBondContact OD1-N 3.5Å; D176-T178 PolarHBondContact OD1-OG1 3.36Å; D176-T178 PolarHBondContact OD2-OG1 2.75Å
179S85.7Confident87.3Confident32 Ų3269.6 Ų69.622%0.22436%0.358CS..THydrogen-bonded Turntrans-81.8-21.1-176.971.50000113.7D176 K181D176-S179 PolarHBondContact O-N 3.44Å; D176-S179 VanDerWaalsContact O-N 3.16Å; D176-S179 PolarHBondContact O-OG 2.95Å; S179-K181 PolarHBondContact O-N 3.22Å; S179-K181 VanDerWaalsContact O-N 3.08Å
180F86.8Confident87.3Confident16 Ų1670.3 Ų70.37%0.0736%0.36CS..  trans47.733.7-175.6-50.6-56.3000113.6F75 R76 R78 L80 A115 D117 V118 P177F75-F180 AromaticContact CD1-CE2 3.72Å; F75-F180 HydrophobicContact CD1-CE2 3.72Å; F75-F180 AromaticContact CD1-CZ 3.68Å; F75-F180 HydrophobicContact CD1-CZ 3.68Å; F75-F180 HydrophobicContact CE1-CE2 4.06Å; F75-F180 HydrophobicContact CE1-CZ 4.44Å; F75-F180 WeakPolarHBondContact O-CZ 3.49Å; R76-F180 HydrophobicContact CB-CE2 3.96Å; R76-F180 HydrophobicContact CG-CE2 4.39Å; R78-F180 HydrophobicContact CB-CE1 3.89Å; R78-F180 HydrophobicContact CB-CZ 3.96Å; R78-F180 VanDerWaalsContact CD-CD1 3.41Å; R78-F180 HydrophobicContact CG-CE1 4.16Å; R78-F180 HydrophobicContact CG-CZ 4.28Å; L80-F180 HydrophobicContact CD2-CE1 4.17Å; A115-F180 HydrophobicContact CB-CD2 3.97Å; A115-F180 HydrophobicContact CB-CE2 4.1Å; D117-F180 WeakPolarHBondContact CA-O 3.26Å; V118-F180 PolarHBondContact N-O 2.91Å; P177-F180 WeakPolarHBondContact O-CE1 3.48Å
181K87.6Confident87.4Confident98 Ų9872.5 Ų72.543%0.42637%0.369SS..EExtended strand (participates in β ladder)trans-76.9127.4178.3-68.7179.6170.5-172.50109.9V118 V120 S179V118-K181 WeakPolarHBondContact O-CA 3.33Å; V120-K181 HydrophobicContact CG2-CB 3.87Å; V120-K181 HydrophobicContact CG2-CD 3.83Å; V120-K181 HydrophobicContact CG2-CG 3.61Å; S179-K181 PolarHBondContact O-N 3.22Å; S179-K181 VanDerWaalsContact O-N 3.08Å
182V87.3Confident87.4Confident65 Ų6572.2 Ų72.239%0.39437%0.369SS..EExtended strand (participates in β ladder)trans-105.7121168.9175.70000108.3D117 V118 P119 V120 I184D117-V182 HydrophobicContact CB-CB 4.44Å; D117-V182 HydrophobicContact CB-CG2 3.55Å; V118-V182 PolarHBondContact O-N 2.78Å; P119-V182 CarbonylContact C-O 3.54Å; P119-V182 WeakPolarHBondContact CA-O 3.25Å; V120-V182 PolarHBondContact N-O 2.96Å; V182-I184 PolarHBondContact O-N 3.03Å
183P89.1Confident87.5Confident32 Ų3272 Ų7221%0.20836%0.362CS..EExtended strand (participates in β ladder)trans-68.3128178.229.3-36.2000109.8C122 L206 I207C122-P183 WeakPolarHBondContact SG-CB 3.19Å; P183-L206 HydrophobicContact CB-CB 3.62Å; P183-L206 HydrophobicContact CB-CD1 3.86Å; P183-L206 HydrophobicContact CB-CG 4.37Å; P183-L206 HydrophobicContact CG-CB 3.88Å; P183-L206 HydrophobicContact CG-CD1 4.19Å; P183-I207 HydrophobicContact CG-CD1 3.81Å; P183-I207 HydrophobicContact CG-CG1 3.91Å
184I90.5Very high87.7Confident85 Ų8570 Ų7044%0.43635%0.352SS..EExtended strand (participates in β ladder)trans-79.2129.7169.7-53.7172.5000107.5P119 V120 V182P119-I184 HydrophobicContact CB-CD1 3.81Å; P119-I184 HydrophobicContact CB-CG1 3.79Å; V120-I184 PolarHBondContact O-N 3.26Å; V182-I184 PolarHBondContact O-N 3.03Å
185E88.9Confident87.8Confident126 Ų12662.2 Ų62.259%0.58932%0.324SS*.PPolyproline II helixtrans-69.3136.2171.5-65.7-159.2168.800110.5L206E185-L206 HydrophobicContact CG-CD1 4.08Å
186P89.6Confident88.1Confident4 Ų458.9 Ų58.93%0.02632%0.315CS..PPolyproline II helixtrans-60.9140.6175.2-18.530000111.2V123 L170 E190 K191 M194 Y198V123-P186 HydrophobicContact CG2-CB 3.69Å; V123-P186 HydrophobicContact CG2-CG 3.58Å; L170-P186 HydrophobicContact CD1-CG 4.06Å; P186-E190 WeakPolarHBondContact CA-OE2 3.38Å; P186-E190 HydrophobicContact CB-CB 4.05Å; P186-K191 HydrophobicContact CB-CG 4.02Å; P186-K191 WeakPolarHBondContact O-CE 3.32Å; P186-K191 PolarHBondContact O-NZ 3.39Å; P186-M194 HydrophobicContact CB-SD 4.19Å; P186-M194 HydrophobicContact CG-SD 4.27Å; P186-Y198 HydrophobicContact CG-CD2 3.96Å; P186-Y198 HydrophobicContact CG-CE2 3.79Å
187T91.3Very high88.4Confident77 Ų7758.7 Ų58.747%0.47232%0.318SS..PPolyproline II helixtrans-65.6163.1173.959.90000111.5E189 E190 K191T187-E189 PolarHBondContact O-N 2.96Å; T187-E190 PolarHBondContact N-OE2 3.35Å; T187-E190 PolarHBondContact O-N 3.11Å; T187-E190 VanDerWaalsContact O-N 3.1Å; T187-E190 VanDerWaalsContact OG1-CG 3.23Å; T187-E190 WeakPolarHBondContact OG1-CG 3.08Å; T187-E190 PolarHBondContact OG1-N 3.27Å; T187-E190 PolarHBondContact OG1-OE2 2.98Å; T187-K191 WeakPolarHBondContact O-CG 3.45Å; T187-K191 PolarHBondContact O-N 3.44Å
188S90.2Very high88.8Confident104 Ų10458.5 Ų58.573%0.72731%0.311SS*.Hα-helixtrans-58.8-36.1178.6-55.90000112.8K191 S192S188-K191 PolarHBondContact O-N 3.36Å; S188-S192 PolarHBondContact O-N 3.4Å; S188-S192 VanDerWaalsContact O-N 3.17Å
189E88.5Confident88.9Confident123 Ų12365 Ų6558%0.57534%0.339SS*.Hα-helixtrans-69.6-34.4175.1-64.4-177.1-162.200113T187 S192 R193T187-E189 PolarHBondContact O-N 2.96Å; E189-S192 PolarHBondContact O-OG 3.19Å; E189-R193 WeakPolarHBondContact O-CG 3.21Å; E189-R193 PolarHBondContact O-NE 3.31Å; E189-R193 IonicContact OE2-NH2 3.44Å; E189-R193 PolarHBondContact OE2-NH2 3.15Å
190E89.4Confident89.1Confident56 Ų5672.1 Ų72.126%0.26236%0.362SS..Hα-helixtrans-71.2-42.3174.3-71.6169.2142.300110.2L168 P186 T187 S192 R193 M194L168-E190 HydrophobicContact CD1-CB 3.76Å; L168-E190 HydrophobicContact CD1-CG 3.79Å; P186-E190 WeakPolarHBondContact CA-OE2 3.38Å; P186-E190 HydrophobicContact CB-CB 4.05Å; T187-E190 PolarHBondContact N-OE2 3.35Å; T187-E190 PolarHBondContact O-N 3.11Å; T187-E190 VanDerWaalsContact O-N 3.1Å; T187-E190 VanDerWaalsContact OG1-CG 3.23Å; T187-E190 WeakPolarHBondContact OG1-CG 3.08Å; T187-E190 PolarHBondContact OG1-N 3.27Å; T187-E190 PolarHBondContact OG1-OE2 2.98Å; E190-S192 VanDerWaalsContact C-N 3.28Å; E190-S192 PolarHBondContact O-N 3.03Å; E190-R193 PolarHBondContact O-N 3.14Å; E190-M194 VanDerWaalsContact O-CG 3.25Å; E190-M194 WeakPolarHBondContact O-CG 3.44Å; E190-M194 PolarHBondContact O-N 3.47Å
191K90.5Very high89.1Confident67 Ų6772.8 Ų72.829%0.29137%0.368SS..Hα-helixtrans-58.6-37.1178.5-73173.3175.5160.60112.6P186 T187 S188 R193 M194 Y198P186-K191 HydrophobicContact CB-CG 4.02Å; P186-K191 WeakPolarHBondContact O-CE 3.32Å; P186-K191 PolarHBondContact O-NZ 3.39Å; T187-K191 WeakPolarHBondContact O-CG 3.45Å; T187-K191 PolarHBondContact O-N 3.44Å; S188-K191 PolarHBondContact O-N 3.36Å; K191-R193 PolarHBondContact O-N 2.98Å; K191-M194 PolarHBondContact O-N 3.19Å; K191-Y198 HydrophobicContact CD-CD1 4.31Å; K191-Y198 HydrophobicContact CD-CG 4.32Å; K191-Y198 HydrophobicContact CG-CG 4.16Å
192S88.5Confident89.1Confident46 Ų4669 Ų6932%0.32236%0.356SS..Hα-helixtrans-69.7-19.7177.658.30000113.6E147 S188 E189 E190E147-S192 WeakPolarHBondContact CG-OG 3.38Å; S188-S192 PolarHBondContact O-N 3.4Å; S188-S192 VanDerWaalsContact O-N 3.17Å; E189-S192 PolarHBondContact O-OG 3.19Å; E190-S192 VanDerWaalsContact C-N 3.28Å; E190-S192 PolarHBondContact O-N 3.03Å
193R88.9Confident89.1Confident47 Ų4774.8 Ų74.818%0.17738%0.375CS..THydrogen-bonded Turntrans-98.36.9178.4-58.5174-161.7158.211.9113.5E147 G166 L167 L168 E189 E190 K191E147-R193 HydrophobicContact CB-CG 4.33Å; E147-R193 HydrophobicContact CG-CG 4.2Å; G166-R193 WeakPolarHBondContact O-CB 3.38Å; L167-R193 WeakPolarHBondContact CD1-O 3.37Å; L168-R193 HydrophobicContact CD1-CB 4.14Å; L168-R193 HydrophobicContact CG-CB 4.31Å; L168-R193 PolarHBondContact N-O 3.34Å; E189-R193 WeakPolarHBondContact O-CG 3.21Å; E189-R193 PolarHBondContact O-NE 3.31Å; E189-R193 IonicContact OE2-NH2 3.44Å; E189-R193 PolarHBondContact OE2-NH2 3.15Å; E190-R193 PolarHBondContact O-N 3.14Å; K191-R193 PolarHBondContact O-N 2.98Å
194M89.7Confident88.8Confident4 Ų481.8 Ų81.82%0.0240%0.403CS..BIsolated β-bridgetrans-96.1137.5-175.8-72.3169.380.900112.8L168 L170 P186 E190 K191 Y198L168-M194 HydrophobicContact CB-CG 3.73Å; L168-M194 WeakPolarHBondContact O-CA 3.19Å; L170-M194 HydrophobicContact CB-CE 3.45Å; L170-M194 VanDerWaalsContact CB-CE 3.45Å; L170-M194 HydrophobicContact CD1-CE 3.77Å; L170-M194 HydrophobicContact CG-CE 4.15Å; P186-M194 HydrophobicContact CB-SD 4.19Å; P186-M194 HydrophobicContact CG-SD 4.27Å; E190-M194 VanDerWaalsContact O-CG 3.25Å; E190-M194 WeakPolarHBondContact O-CG 3.44Å; E190-M194 PolarHBondContact O-N 3.47Å; K191-M194 PolarHBondContact O-N 3.19Å; M194-Y198 HydrophobicContact CE-CD2 4.25Å
195Y87.3Confident88.5Confident59 Ų5979.2 Ų79.223%0.23140%0.397CS..SBendtrans-142127.1167.2-172.9-91.9000111.4L134 V139 L140 P141 L168 L169L134-Y195 HydrophobicContact CD1-CD1 4.48Å; V139-Y195 HydrophobicContact CG1-CE1 3.59Å; V139-Y195 WeakPolarHBondContact CG1-OH 3.23Å; V139-Y195 PolarHBondContact O-OH 3.17Å; L140-Y195 HydrophobicContact CD2-CD1 3.59Å; L140-Y195 HydrophobicContact CD2-CD2 4.24Å; L140-Y195 HydrophobicContact CD2-CE1 4.35Å; L140-Y195 HydrophobicContact CD2-CG 3.52Å; P141-Y195 VanDerWaalsContact CD-CD2 3.47Å; P141-Y195 HydrophobicContact CG-CD2 4.14Å; P141-Y195 HydrophobicContact CG-CE2 4.08Å; L168-Y195 PolarHBondContact O-N 3.28Å; L169-Y195 WeakPolarHBondContact CD2-O 3.37Å
196P89.8Confident88.3Confident41 Ų4174.1 Ų74.127%0.26637%0.374SS..SBendcis-64.1162.1-1-23.836.9000113.9W200 S201P196-W200 HydrophobicContact CB-CD2 4.11Å; P196-W200 HydrophobicContact CB-CE3 3.39Å; P196-W200 HydrophobicContact CB-CZ3 3.79Å; P196-W200 HydrophobicContact CG-CE3 3.75Å; P196-W200 HydrophobicContact CG-CH2 4.4Å; P196-W200 HydrophobicContact CG-CZ3 3.57Å; P196-S201 PolarHBondContact O-OG 3.1Å; P196-S201 VanDerWaalsContact O-OG 3.13Å
197P89.9Confident88Confident69 Ų6976.6 Ų76.645%0.44839%0.386SS..  trans-53149.5-177.3-26.634.3000113E199 W200 S201P197-E199 VanDerWaalsContact C-N 3.28Å; P197-E199 PolarHBondContact O-N 3.04Å; P197-W200 PolarHBondContact O-N 3.5Å; P197-W200 VanDerWaalsContact O-N 3.07Å; P197-S201 PolarHBondContact O-N 3.45Å; P197-S201 PolarHBondContact O-OG 2.86Å
198Y89Confident87.6Confident44 Ų4476.4 Ų76.417%0.17338%0.381CS..Hα-helixtrans-52.4-45.8-179.3175-102000112.4L170 P186 K191 M194 W200 S201 A202 L206L170-Y198 HydrophobicContact CD1-CD2 4.13Å; L170-Y198 HydrophobicContact CD1-CE2 4.01Å; L170-Y198 HydrophobicContact CD2-CD2 4.39Å; L170-Y198 HydrophobicContact CD2-CE2 4.38Å; P186-Y198 HydrophobicContact CG-CD2 3.96Å; P186-Y198 HydrophobicContact CG-CE2 3.79Å; K191-Y198 HydrophobicContact CD-CD1 4.31Å; K191-Y198 HydrophobicContact CD-CG 4.32Å; K191-Y198 HydrophobicContact CG-CG 4.16Å; M194-Y198 HydrophobicContact CE-CD2 4.25Å; Y198-W200 VanDerWaalsContact C-N 3.27Å; Y198-W200 PolarHBondContact O-N 2.79Å; Y198-S201 PolarHBondContact O-N 3.34Å; Y198-A202 HydrophobicContact CD1-CB 4.42Å; Y198-A202 HydrophobicContact CD2-CB 4.3Å; Y198-A202 HydrophobicContact CE1-CB 4.09Å; Y198-A202 HydrophobicContact CE2-CB 3.95Å; Y198-A202 WeakPolarHBondContact O-CB 3.36Å; Y198-A202 PolarHBondContact O-N 3.01Å; Y198-L206 HydrophobicContact CE2-CD2 4.09Å
199E89.4Confident87Confident169 Ų16978.5 Ų78.579%0.7938%0.377SS*.Hα-helixtrans-57.5-39.9-179.7-62.9175.6179.400112.6P197 K203P197-E199 VanDerWaalsContact C-N 3.28Å; P197-E199 PolarHBondContact O-N 3.04Å; E199-K203 PolarHBondContact O-N 3.29Å
200W89.5Confident86.3Confident183 Ų18376.3 Ų76.369%0.69337%0.374SS*.Hα-helixtrans-73.8-46.5178.2-17389.3000111.4P196 P197 Y198 A202 K203P196-W200 HydrophobicContact CB-CD2 4.11Å; P196-W200 HydrophobicContact CB-CE3 3.39Å; P196-W200 HydrophobicContact CB-CZ3 3.79Å; P196-W200 HydrophobicContact CG-CE3 3.75Å; P196-W200 HydrophobicContact CG-CH2 4.4Å; P196-W200 HydrophobicContact CG-CZ3 3.57Å; P197-W200 PolarHBondContact O-N 3.5Å; P197-W200 VanDerWaalsContact O-N 3.07Å; Y198-W200 VanDerWaalsContact C-N 3.27Å; Y198-W200 PolarHBondContact O-N 2.79Å; W200-A202 VanDerWaalsContact C-N 3.32Å; W200-A202 PolarHBondContact O-N 2.81Å; W200-K203 WeakPolarHBondContact O-CB 3.4Å; W200-K203 PolarHBondContact O-N 2.89Å
201S85.8Confident85.4Confident29 Ų2979 Ų7920%0.20339%0.39CS..Hα-helixtrans-67.1-33.4-178.6-62.30000112.4P196 P197 Y198P196-S201 PolarHBondContact O-OG 3.1Å; P196-S201 VanDerWaalsContact O-OG 3.13Å; P197-S201 PolarHBondContact O-N 3.45Å; P197-S201 PolarHBondContact O-OG 2.86Å; Y198-S201 PolarHBondContact O-N 3.34Å
202A87.3Confident84.2Confident20 Ų2083.4 Ų83.417%0.16542%0.416CS..G310 helixtrans-85.3-0.7-178.900000113.8L170 Y198 W200 K204 G205L170-A202 HydrophobicContact CD2-CB 3.99Å; Y198-A202 HydrophobicContact CD1-CB 4.42Å; Y198-A202 HydrophobicContact CD2-CB 4.3Å; Y198-A202 HydrophobicContact CE1-CB 4.09Å; Y198-A202 HydrophobicContact CE2-CB 3.95Å; Y198-A202 WeakPolarHBondContact O-CB 3.36Å; Y198-A202 PolarHBondContact O-N 3.01Å; W200-A202 VanDerWaalsContact C-N 3.32Å; W200-A202 PolarHBondContact O-N 2.81Å; A202-K204 PolarHBondContact O-N 3.29Å; A202-G205 WeakPolarHBondContact O-CA 3.35Å; A202-G205 PolarHBondContact O-N 3.37Å
203K87.5Confident83.1Confident185 Ų18587.1 Ų87.180%0.80443%0.432SS*.G310 helixtrans-54.3-28.9179.8-174.7173.4-178.3173.10113.8E199 W200E199-K203 PolarHBondContact O-N 3.29Å; W200-K203 WeakPolarHBondContact O-CB 3.4Å; W200-K203 PolarHBondContact O-N 2.89Å
204K83.1Confident81.9Confident180 Ų18093.3 Ų93.378%0.78346%0.455SS*.G310 helixtrans-91.23.4176.3-66.2-179.1-179.51740113.8A202A202-K204 PolarHBondContact O-N 3.29Å
205G85.2Confident81.1Confident31 Ų3195.9 Ų95.932%0.3247%0.469SS..  trans80.7164.4-170.800000113.6A202 I207A202-G205 WeakPolarHBondContact O-CA 3.35Å; A202-G205 PolarHBondContact O-N 3.37Å; G205-I207 VanDerWaalsContact C-N 3.3Å
206L84.2Confident80.5Confident19 Ų1994.1 Ų94.110%0.09947%0.466CS..SBendtrans-73.2-25.1173-60.9-180000112.5C122 L170 P172 H173 P183 E185 Y198C122-L206 HydrophobicContact CB-CD2 4.11Å; L170-L206 HydrophobicContact CD1-CD2 3.7Å; L170-L206 HydrophobicContact CD2-CD2 4.05Å; L170-L206 HydrophobicContact CG-CD2 4.29Å; P172-L206 CarbonylContact C-O 3.52Å; P172-L206 WeakPolarHBondContact CA-O 3.42Å; H173-L206 PolarHBondContact N-O 2.96Å; P183-L206 HydrophobicContact CB-CB 3.62Å; P183-L206 HydrophobicContact CB-CD1 3.86Å; P183-L206 HydrophobicContact CB-CG 4.37Å; P183-L206 HydrophobicContact CG-CB 3.88Å; P183-L206 HydrophobicContact CG-CD1 4.19Å; E185-L206 HydrophobicContact CG-CD1 4.08Å; Y198-L206 HydrophobicContact CE2-CD2 4.09Å
207I83.5Confident79.6Confident56 Ų5697.5 Ų97.529%0.28747%0.474SS..EExtended strand (participates in β ladder)trans-113.3118.2173.9-67.8163.9000108.8H173 Y175 P183 G205 K209H173-I207 CarbonylContact O-C 3.59Å; H173-I207 WeakPolarHBondContact O-CA 3.26Å; Y175-I207 HydrophobicContact CD2-CG2 3.74Å; Y175-I207 HydrophobicContact CG-CG2 4.07Å; P183-I207 HydrophobicContact CG-CD1 3.81Å; P183-I207 HydrophobicContact CG-CG1 3.91Å; G205-I207 VanDerWaalsContact C-N 3.3Å; I207-K209 HydrophobicContact CG2-CG 4.44Å; I207-K209 PolarHBondContact O-N 3.34Å
208I82Confident78.7Confident72 Ų7299.5 Ų99.537%0.36948%0.48SS..EExtended strand (participates in β ladder)trans-83.5103.1172.3-60.1162.7000108.1P172 H173 Y175P172-I208 HydrophobicContact CB-CD1 3.81Å; P172-I208 HydrophobicContact CB-CG1 3.99Å; P172-I208 HydrophobicContact CG-CD1 3.74Å; P172-I208 HydrophobicContact CG-CG1 4.41Å; H173-I208 PolarHBondContact O-N 2.96Å; Y175-I208 WeakPolarHBondContact CB-O 3.08Å; Y175-I208 PolarHBondContact N-O 3.43Å
209K79Confident77.8Confident149 Ų149100.8 Ų100.865%0.64849%0.49SS*.  trans-71.6136.2167.7-68.3-178.5-179.2176.40109.2Y175 I207 N211Y175-K209 HydrophobicContact CD1-CG 4.44Å; Y175-K209 HydrophobicContact CG-CG 4.12Å; I207-K209 HydrophobicContact CG2-CG 4.44Å; I207-K209 PolarHBondContact O-N 3.34Å; K209-N211 PolarHBondContact O-N 3.05Å
210P72.4Confident76.9Confident77 Ų77100 Ų10050%0.548%0.479SS..  trans-59.1128.9169.425.9-32000108L212P210-L212 PolarHBondContact O-N 3.29Å
211N70.4Confident75.8Confident113 Ų11395.1 Ų95.160%0.60446%0.461SS*.  trans-67.2101.9170.1-166.84.9000107.7K209 D213K209-N211 PolarHBondContact O-N 3.05Å; N211-D213 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact ND2-O 3.44Å; N211-D213 VanDerWaalsContact ND2-O 3.17Å; N211-D213 PolarHBondContact OD1-N 3.38Å; N211-D213 VanDerWaalsContact OD1-N 3.14Å; N211-D213 PolarHBondContact OD1-O 3.37Å
212L65.6Low75.4Confident159 Ų15999.6 Ų99.683%0.83249%0.492SS*.  trans-76.2-27.2175.2-68.2171.5000110.5P210 R214P210-L212 PolarHBondContact O-N 3.29Å; L212-R214 VanDerWaalsContact C-N 3.25Å; L212-R214 PolarHBondContact O-N 3.02Å
213D65.8Low75Confident124 Ų124103.1 Ų103.166%0.66351%0.508SS*.  trans-81.977.3175.3-155.113.1000108.7N211N211-D213 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact ND2-O 3.44Å; N211-D213 VanDerWaalsContact ND2-O 3.17Å; N211-D213 PolarHBondContact OD1-N 3.38Å; N211-D213 VanDerWaalsContact OD1-N 3.14Å; N211-D213 PolarHBondContact OD1-O 3.37Å
214R63.6Low74.2Confident176 Ų17696.7 Ų96.766%0.66448%0.484SS*.  trans-89.4114.9171.5-61.8-174.8-179.8-174.6-1.1107.5L212 S216L212-R214 VanDerWaalsContact C-N 3.25Å; L212-R214 PolarHBondContact O-N 3.02Å; R214-S216 VanDerWaalsContact CB-O 3.26Å; R214-S216 WeakPolarHBondContact CB-O 3.08Å; R214-S216 PolarHBondContact O-N 3.31Å
215D72.9Confident73.2Confident58 Ų5893.3 Ų93.331%0.3148%0.481SS..SBendtrans-62.36.2163.6-53.1-25.3000112.4H232 L233 K235D215-H232 CarbonylContact O-C 3.58Å; D215-H232 WeakPolarHBondContact O-CA 3.45Å; D215-L233 PolarHBondContact O-N 3.37Å; D215-K235 VanDerWaalsContact CG-CE 3.45Å; D215-K235 WeakPolarHBondContact OD2-CE 3.49Å; D215-K235 IonicContact OD2-NZ 3.61Å
216S73.8Confident72.6Confident23 Ų2394.1 Ų94.116%0.16149%0.489CS..EExtended strand (participates in β ladder)trans-149.2144.5175.256.50000113R214 R230 V231R214-S216 VanDerWaalsContact CB-O 3.26Å; R214-S216 WeakPolarHBondContact CB-O 3.08Å; R214-S216 PolarHBondContact O-N 3.31Å; S216-R230 PolarHBondContact OG-NE 3.46Å; S216-V231 CarbonylContact C-O 3.59Å; S216-V231 WeakPolarHBondContact CA-O 3.3Å; S216-V231 VanDerWaalsContact CB-O 3.25Å; S216-V231 WeakPolarHBondContact CB-O 3.45Å
217Y71.9Confident72.1Confident111 Ų11197.7 Ų97.744%0.43551%0.508SS..EExtended strand (participates in β ladder)trans-128.2157.5172.165.6-79.7000110.4I219 V231 L233Y217-I219 HydrophobicContact CD2-CD1 4.41Å; Y217-I219 HydrophobicContact CD2-CG1 3.76Å; Y217-I219 HydrophobicContact CE2-CD1 3.52Å; Y217-I219 HydrophobicContact CE2-CG1 3.36Å; Y217-V231 HydrophobicContact CD1-CB 4.11Å; Y217-V231 HydrophobicContact CD1-CG1 4.35Å; Y217-V231 HydrophobicContact CE1-CB 3.67Å; Y217-V231 HydrophobicContact CE1-CG1 3.52Å; Y217-V231 HydrophobicContact CE2-CB 4.21Å; Y217-V231 HydrophobicContact CE2-CG2 4.39Å; Y217-V231 PolarHBondContact N-O 3.07Å; Y217-V231 PolarHBondContact O-N 3.17Å; Y217-L233 HydrophobicContact CD1-CD1 4.09Å; Y217-L233 HydrophobicContact CD1-CD2 4.1Å; Y217-L233 HydrophobicContact CD1-CG 3.92Å; Y217-L233 HydrophobicContact CE1-CD1 4.4Å; Y217-L233 HydrophobicContact CE1-CD2 3.58Å; Y217-L233 HydrophobicContact CE1-CG 3.91Å
218L71.8Confident71.7Confident111 Ų111101.3 Ų101.358%0.58152%0.519SS*.EExtended strand (participates in β ladder)trans-102.2120.4-178.2-67.1172.8000109.7Y228 W229 R230L218-Y228 HydrophobicContact CB-CD1 3.99Å; L218-Y228 HydrophobicContact CB-CG 4.34Å; L218-W229 CarbonylContact C-O 3.57Å; L218-W229 VanDerWaalsContact CA-O 3.23Å; L218-W229 WeakPolarHBondContact CA-O 3.17Å; L218-R230 HydrophobicContact CD2-CB 3.86Å; L218-R230 HydrophobicContact CD2-CG 4.14Å
219I68.9Low71.3Confident72 Ų72104.7 Ų104.737%0.36953%0.527SS..EExtended strand (participates in β ladder)trans-101.1123.1171.8-53.9178.6000108.4Y217 R221 Y228 W229 V231Y217-I219 HydrophobicContact CD2-CD1 4.41Å; Y217-I219 HydrophobicContact CD2-CG1 3.76Å; Y217-I219 HydrophobicContact CE2-CD1 3.52Å; Y217-I219 HydrophobicContact CE2-CG1 3.36Å; I219-R221 PolarHBondContact O-N 3.25Å; I219-Y228 CarbonylContact O-C 3.5Å; I219-Y228 VanDerWaalsContact O-CA 3.24Å; I219-Y228 WeakPolarHBondContact O-CA 3.35Å; I219-W229 HydrophobicContact CB-CB 4.2Å; I219-W229 PolarHBondContact N-O 3.24Å; I219-W229 PolarHBondContact O-N 3.07Å; I219-V231 HydrophobicContact CD1-CG2 3.54Å; I219-V231 HydrophobicContact CG1-CG2 3.93Å
220R70.7Confident71.5Confident152 Ų152105.4 Ų105.457%0.57453%0.526SS*.EExtended strand (participates in β ladder)trans-66.9131.9174.9-163.4176.6-172.4-1760.5110Y228R220-Y228 HydrophobicContact CB-CD1 4.11Å; R220-Y228 HydrophobicContact CB-CE1 4.06Å; R220-Y228 HydrophobicContact CG-CD1 4.45Å; R220-Y228 HydrophobicContact CG-CE1 4.17Å
221R66.6Low71.7Confident80 Ų80103.8 Ų103.830%0.30251%0.514SS..PPolyproline II helixtrans-65.3133.7173.7-82.7-17177.8157.40.9110.5I219 D223 T224 L227 W229I219-R221 PolarHBondContact O-N 3.25Å; R221-D223 WeakPolarHBondContact CB-OD1 3.38Å; R221-D223 IonicContact CZ-OD1 2.65Å; R221-D223 IonicContact CZ-OD2 3.62Å; R221-D223 VanDerWaalsContact CZ-OD2 3.28Å; R221-D223 IonicContact NE-OD1 3.48Å; R221-D223 PolarHBondContact NE-OD1 3.28Å; R221-D223 IonicContact NE-OD2 3.54Å; R221-D223 PolarHBondContact NE-OD2 3.44Å; R221-D223 IonicContact NH2-OD1 3.87Å; R221-D223 IonicContact NH2-OD2 3.5Å; R221-D223 PolarHBondContact NH2-OD2 2.98Å; R221-T224 WeakPolarHBondContact CD-OG1 3.3Å; R221-T224 PolarHBondContact NE-OG1 3.27Å; R221-L227 HydrophobicContact CB-CB 4.3Å; R221-L227 HydrophobicContact CG-CB 4.33Å; R221-L227 PolarHBondContact N-O 3.44Å; R221-W229 HydrophobicContact CG-CG 4.32Å; R221-W229 VanDerWaalsContact CG-NE1 3.3Å
222S76.4Confident72.2Confident124 Ų124104.3 Ų104.387%0.86751%0.513SS*.SBendtrans-75-32.6176.147.80000112.1
223D79.8Confident72.7Confident94 Ų94101.1 Ų101.150%0.50350%0.496SS..SBendtrans-81.9-28.2-177.962.9-51.2000113.2R221R221-D223 WeakPolarHBondContact CB-OD1 3.38Å; R221-D223 IonicContact CZ-OD1 2.65Å; R221-D223 IonicContact CZ-OD2 3.62Å; R221-D223 VanDerWaalsContact CZ-OD2 3.28Å; R221-D223 IonicContact NE-OD1 3.48Å; R221-D223 PolarHBondContact NE-OD1 3.28Å; R221-D223 IonicContact NE-OD2 3.54Å; R221-D223 PolarHBondContact NE-OD2 3.44Å; R221-D223 IonicContact NH2-OD1 3.87Å; R221-D223 IonicContact NH2-OD2 3.5Å; R221-D223 PolarHBondContact NH2-OD2 2.98Å
224T69.5Low73Confident49 Ų49100 Ų10030%0.30150%0.504SS..SBendtrans-13293.3-17727.60000111.7R221 G226 L227R221-T224 WeakPolarHBondContact CD-OG1 3.3Å; R221-T224 PolarHBondContact NE-OG1 3.27Å; T224-G226 PolarHBondContact O-N 3.18Å; T224-G226 VanDerWaalsContact O-N 3.07Å; T224-L227 HydrophobicContact CG2-CD1 4.2Å; T224-L227 PolarHBondContact O-N 3.18Å
225P63.3Low73Confident110 Ų11099 Ų9971%0.71450%0.504SS*.THydrogen-bonded Turntrans-59.8113.5177.5-21.332000111.5
226G72.5Confident72Confident47 Ų47101.2 Ų101.249%0.48553%0.525SS..THydrogen-bonded Turntrans120.1-19.217900000113.5T224 Y228T224-G226 PolarHBondContact O-N 3.18Å; T224-G226 VanDerWaalsContact O-N 3.07Å; G226-Y228 WeakPolarHBondContact O-CD2 3.25Å; G226-Y228 WeakPolarHBondContact O-CE2 3.34Å
227L73Confident70.6Confident95 Ų95104.9 Ų104.950%0.49755%0.55SS..  trans-88.7144.4170-70.8173000111R221 T224R221-L227 HydrophobicContact CB-CB 4.3Å; R221-L227 HydrophobicContact CG-CB 4.33Å; R221-L227 PolarHBondContact N-O 3.44Å; T224-L227 HydrophobicContact CG2-CD1 4.2Å; T224-L227 PolarHBondContact O-N 3.18Å
228Y76.4Confident69.2Low132 Ų132109.3 Ų109.352%0.51857%0.572SS.*EExtended strand (participates in β ladder)trans-125.7131.6177.8-62.3-96.6000109.7L218 I219 R220 G226L218-Y228 HydrophobicContact CB-CD1 3.99Å; L218-Y228 HydrophobicContact CB-CG 4.34Å; I219-Y228 CarbonylContact O-C 3.5Å; I219-Y228 VanDerWaalsContact O-CA 3.24Å; I219-Y228 WeakPolarHBondContact O-CA 3.35Å; R220-Y228 HydrophobicContact CB-CD1 4.11Å; R220-Y228 HydrophobicContact CB-CE1 4.06Å; R220-Y228 HydrophobicContact CG-CD1 4.45Å; R220-Y228 HydrophobicContact CG-CE1 4.17Å; G226-Y228 WeakPolarHBondContact O-CD2 3.25Å; G226-Y228 WeakPolarHBondContact O-CE2 3.34Å
229W73.3Confident67.5Low143 Ų143108.8 Ų108.854%0.54257%0.573SS.*EExtended strand (participates in β ladder)trans-71125.6160.6-66.4107.3000108.9L218 I219 R221 V231L218-W229 CarbonylContact C-O 3.57Å; L218-W229 VanDerWaalsContact CA-O 3.23Å; L218-W229 WeakPolarHBondContact CA-O 3.17Å; I219-W229 HydrophobicContact CB-CB 4.2Å; I219-W229 PolarHBondContact N-O 3.24Å; I219-W229 PolarHBondContact O-N 3.07Å; R221-W229 HydrophobicContact CG-CG 4.32Å; R221-W229 VanDerWaalsContact CG-NE1 3.3Å; W229-V231 HydrophobicContact CB-CG2 4.3Å; W229-V231 PolarHBondContact O-N 2.94Å
230R82.7Confident65.7Low164 Ų164113.3 Ų113.362%0.61959%0.593SS**EExtended strand (participates in β ladder)trans-88.2102.9165.3-172.3-178.9-174.2-178.1-1.2108.3S216 L218S216-R230 PolarHBondContact OG-NE 3.46Å; L218-R230 HydrophobicContact CD2-CB 3.86Å; L218-R230 HydrophobicContact CD2-CG 4.14Å
231V76.4Confident63.9Low43 Ų43114.1 Ų114.126%0.26160%0.603SS.*EExtended strand (participates in β ladder)trans-91121.6177.4-178.80000108.3S216 Y217 I219 W229S216-V231 CarbonylContact C-O 3.59Å; S216-V231 WeakPolarHBondContact CA-O 3.3Å; S216-V231 VanDerWaalsContact CB-O 3.25Å; S216-V231 WeakPolarHBondContact CB-O 3.45Å; Y217-V231 HydrophobicContact CD1-CB 4.11Å; Y217-V231 HydrophobicContact CD1-CG1 4.35Å; Y217-V231 HydrophobicContact CE1-CB 3.67Å; Y217-V231 HydrophobicContact CE1-CG1 3.52Å; Y217-V231 HydrophobicContact CE2-CB 4.21Å; Y217-V231 HydrophobicContact CE2-CG2 4.39Å; Y217-V231 PolarHBondContact N-O 3.07Å; Y217-V231 PolarHBondContact O-N 3.17Å; I219-V231 HydrophobicContact CD1-CG2 3.54Å; I219-V231 HydrophobicContact CG1-CG2 3.93Å; W229-V231 HydrophobicContact CB-CG2 4.3Å; W229-V231 PolarHBondContact O-N 2.94Å
232H81Confident62.5Low124 Ų124119 Ų11957%0.57464%0.635SS**EExtended strand (participates in β ladder)trans-88.1124.7172.6-69.1-94.9000109.5D215D215-H232 CarbonylContact O-C 3.58Å; D215-H232 WeakPolarHBondContact O-CA 3.45Å
233L75.7Confident60.4Low91 Ų91117.2 Ų117.248%0.47662%0.623SS.*PPolyproline II helixtrans-80.4134.3171.8-66.4170.8000108.4D215 Y217 K235D215-L233 PolarHBondContact O-N 3.37Å; Y217-L233 HydrophobicContact CD1-CD1 4.09Å; Y217-L233 HydrophobicContact CD1-CD2 4.1Å; Y217-L233 HydrophobicContact CD1-CG 3.92Å; Y217-L233 HydrophobicContact CE1-CD1 4.4Å; Y217-L233 HydrophobicContact CE1-CD2 3.58Å; Y217-L233 HydrophobicContact CE1-CG 3.91Å; L233-K235 PolarHBondContact O-N 2.88Å
234A72.8Confident58.3Low100 Ų100121.1 Ų121.183%0.82664%0.638SS**PPolyproline II helixtrans-62.7124.5167.800000108S236A234-S236 PolarHBondContact O-N 3.18Å; A234-S236 VanDerWaalsContact O-N 3.14Å
235K63.2Low56.5Low156 Ų156124.7 Ų124.768%0.67866%0.659SS**PPolyproline II helixtrans-54.5123.6170.7-71.5-177.3178.2-178.50107.2D215 L233 S237D215-K235 VanDerWaalsContact CG-CE 3.45Å; D215-K235 WeakPolarHBondContact OD2-CE 3.49Å; D215-K235 IonicContact OD2-NZ 3.61Å; L233-K235 PolarHBondContact O-N 2.88Å; K235-S237 VanDerWaalsContact C-N 3.31Å; K235-S237 PolarHBondContact O-N 3.14Å
236S51.3Low55.2Low105 Ų105125.6 Ų125.673%0.73466%0.663SS**  trans-59.3106.4162.556.30000105.3A234 K238A234-S236 PolarHBondContact O-N 3.18Å; A234-S236 VanDerWaalsContact O-N 3.14Å; S236-K238 VanDerWaalsContact C-N 3.35Å; S236-K238 PolarHBondContact O-N 3.37Å
237S45.9Very low53.6Low99 Ų99132.4 Ų132.469%0.69270%0.703SS**  trans-50.4105.6168.7470000106.5K235 T239K235-S237 VanDerWaalsContact C-N 3.31Å; K235-S237 PolarHBondContact O-N 3.14Å; S237-T239 PolarHBondContact O-N 3.12Å; S237-T239 PolarHBondContact O-OG1 3.26Å
238K42.5Very low52.6Low205 Ų205134.3 Ų134.389%0.89171%0.714SS**  trans-67.197157.7-83-175.4175-179.90104.9S236S236-K238 VanDerWaalsContact C-N 3.35Å; S236-K238 PolarHBondContact O-N 3.37Å
239T35.5Very low51.4Low99 Ų99134.4 Ų134.461%0.60772%0.724SS**  trans-50.1134.7164.1-38.90000109.2S237S237-T239 PolarHBondContact O-N 3.12Å; S237-T239 PolarHBondContact O-OG1 3.26Å
240E32.2Very low50.2Low168 Ų168133.9 Ų133.979%0.78573%0.734SS**  trans63.4110.8152.3-71.1164-17500118.9
241Q31.7Very low48.2Very low169 Ų169132.2 Ų132.279%0.7974%0.741SS**  171.286.5105-88.9178.8-5.700108.7
242D37.4Very low46.5Very low182 Ų182137.8 Ų137.897%0.97377%0.771SS**  trans-122.569.2147.7-82.9-27.8000105.7
243S32.2Very low44.2Very low87 Ų87138.7 Ų138.761%0.60878%0.784SS**  trans-114.1106.3159.653.90000106.1
244E35.6Very low41.9Very low176 Ų176142.1 Ų142.182%0.82281%0.806SS**  trans170.3100.8150.7-94.5167.8-161.700106.5
245T31.6Very low39.5Very low123 Ų123145.3 Ų145.376%0.75580%0.804SS**  59.6128.696.859.90000112
246V36.2Very low37.6Very low129 Ų129144.4 Ų144.478%0.78282%0.815SS**  -169145.854174.80000109.1
247S39Very low36.3Very low191 Ų191148 Ų148100%1.33682%0.822SS**  trans116.60160.7-45.20000113.9

Retrieved 247 of 247 residues in 470 ms (Link to these results)

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