A0A087XVS8_POEFO Loading...

Titin-cap (telethonin)

AlphaFold DB , UniProt , Accession A0A087XVS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M56.6Low80Confident196 Ų196114.5 Ų114.597%0.96658%0.581SS**  0133.50-72.9-122.1-162.800107.8
2P68.8Low80.1Confident83 Ų83111 Ų11154%0.53960%0.595SS.*  trans-68.5138.7175.128.6-32000110.3T20P2-T20 WeakPolarHBondContact CA-O 3.39Å
3F75.7Confident80.3Confident111 Ų111108.9 Ų108.949%0.48759%0.589SS.*EExtended strand (participates in β ladder)trans-126.9149.7172.662.5-87000109.7S5 L19 T20F3-S5 PolarHBondContact O-N 3.2Å; F3-L19 WeakPolarHBondContact O-CA 3.47Å; F3-T20 HydrophobicContact CZ-CG2 4.43Å; F3-T20 PolarHBondContact N-O 3.23Å; F3-T20 PolarHBondContact O-N 3.38Å
4C75.3Confident80.5Confident74 Ų74105 Ų10550%0.557%0.57SS.*EExtended strand (participates in β ladder)trans-70.4116.4176.8-169.70000109.1L19C4-L19 VanDerWaalsContact CA-CD2 3.47Å; C4-L19 HydrophobicContact CB-CD2 3.64Å
5S80.9Confident80.9Confident50 Ų50100.9 Ų100.935%0.3555%0.546SS..EExtended strand (participates in β ladder)trans-95.9-35.9179.652.10000111.4F3 E18 T20F3-S5 PolarHBondContact O-N 3.2Å; S5-E18 PolarHBondContact N-O 3.01Å; S5-E18 PolarHBondContact OG-O 3.09Å; S5-E18 VanDerWaalsContact OG-O 3.11Å; S5-T20 VanDerWaalsContact CB-OG1 3.22Å; S5-T20 WeakPolarHBondContact CB-OG1 3.49Å; S5-T20 PolarHBondContact OG-OG1 3.28Å
6V88Confident81.5Confident77 Ų7794.8 Ų94.847%0.46751%0.513SS..EExtended strand (participates in β ladder)trans-137.9136.3179.5-172.30000110.6G17 E18V6-G17 CarbonylContact O-C 3.56Å; V6-G17 VanDerWaalsContact O-CA 3.28Å; V6-G17 WeakPolarHBondContact O-CA 3.39Å; V6-E18 HydrophobicContact CB-CB 4.04Å; V6-E18 HydrophobicContact CG2-CB 4.49Å; V6-E18 PolarHBondContact N-O 3.42Å; V6-E18 PolarHBondContact O-N 2.89Å
7L89.4Confident82.1Confident91 Ų9190 Ų9048%0.47649%0.492SS..EExtended strand (participates in β ladder)trans-130.5116.1173.2-171.669.6000109K9 V14L7-K9 HydrophobicContact CD2-CD 4.46Å; L7-K9 HydrophobicContact CG-CG 4.38Å; L7-V14 HydrophobicContact CD1-CG1 3.64Å; L7-V14 HydrophobicContact CD1-CG2 4.3Å; L7-V14 HydrophobicContact CG-CG1 4.46Å
8E88.1Confident82.7Confident115 Ų11587.6 Ų87.654%0.53748%0.476SS..EExtended strand (participates in β ladder)trans-92.4122.7178.8-168.8-176.1-178.800109.5V14 M15 G16E8-V14 CarbonylContact O-C 3.59Å; E8-V14 WeakPolarHBondContact O-CA 3.35Å; E8-M15 HydrophobicContact CB-CB 4.45Å; E8-M15 HydrophobicContact CG-CB 4.15Å; E8-M15 PolarHBondContact O-N 2.78Å; E8-G16 PolarHBondContact N-O 2.86Å; E8-G16 PolarHBondContact O-N 2.82Å
9K88Confident83.3Confident134 Ų13485.9 Ų85.958%0.58347%0.467SS*.EExtended strand (participates in β ladder)trans-124.9139.6176.4-64.3-173.9-175.3178.50110.8L7 V13 V14L7-K9 HydrophobicContact CD2-CD 4.46Å; L7-K9 HydrophobicContact CG-CG 4.38Å; K9-V13 CarbonylContact C-O 3.57Å; K9-V13 VanDerWaalsContact CA-O 3.22Å; K9-V13 WeakPolarHBondContact CA-O 3.35Å; K9-V14 HydrophobicContact CD-CG2 4.5Å; K9-V14 HydrophobicContact CG-CG2 4.14Å
10R83.6Confident83.8Confident171 Ų17182.4 Ų82.465%0.64545%0.448SS*.EExtended strand (participates in β ladder)trans-132.4129170.4-169175.9-176.7-1780.6109G12 V13 M15R10-G12 PolarHBondContact O-N 3.18Å; R10-G12 VanDerWaalsContact O-N 3.16Å; R10-V13 PolarHBondContact N-O 2.85Å; R10-V13 PolarHBondContact O-N 3.3Å; R10-M15 HydrophobicContact CB-CG 3.59Å; R10-M15 HydrophobicContact CB-SD 4.28Å
11N86.1Confident84.1Confident157 Ų15779.4 Ų79.484%0.8443%0.433SS*.THydrogen-bonded Turntrans51.537.3-179.3-56.4-16.4000113.4V13N11-V13 VanDerWaalsContact C-N 3.25Å; N11-V13 PolarHBondContact O-N 3.07Å
12G80.6Confident85.8Confident73 Ų7371.8 Ų71.875%0.75340%0.399SS*.THydrogen-bonded Turntrans79.8-5.2-178.100000115.5R10R10-G12 PolarHBondContact O-N 3.18Å; R10-G12 VanDerWaalsContact O-N 3.16Å
13V82.8Confident86.9Confident84 Ų8470 Ų7051%0.50939%0.386SS..EExtended strand (participates in β ladder)trans-98.7137.5178.4-175.90000110.5K9 R10 N11 M15K9-V13 CarbonylContact C-O 3.57Å; K9-V13 VanDerWaalsContact CA-O 3.22Å; K9-V13 WeakPolarHBondContact CA-O 3.35Å; R10-V13 PolarHBondContact N-O 2.85Å; R10-V13 PolarHBondContact O-N 3.3Å; N11-V13 VanDerWaalsContact C-N 3.25Å; N11-V13 PolarHBondContact O-N 3.07Å; V13-M15 PolarHBondContact O-N 3.4Å
14V83.5Confident87.7Confident54 Ų5474.3 Ų74.333%0.32740%0.399SS..EExtended strand (participates in β ladder)trans-74.8112175.7178.30000109.8L7 E8 K9 T45L7-V14 HydrophobicContact CD1-CG1 3.64Å; L7-V14 HydrophobicContact CD1-CG2 4.3Å; L7-V14 HydrophobicContact CG-CG1 4.46Å; E8-V14 CarbonylContact O-C 3.59Å; E8-V14 WeakPolarHBondContact O-CA 3.35Å; K9-V14 HydrophobicContact CD-CG2 4.5Å; K9-V14 HydrophobicContact CG-CG2 4.14Å; V14-T45 VanDerWaalsContact O-CB 3.32Å; V14-T45 WeakPolarHBondContact O-CB 3.36Å; V14-T45 PolarHBondContact O-OG1 3.49Å; V14-T45 VanDerWaalsContact O-OG1 3.13Å
15M87Confident88.6Confident44 Ų4476.5 Ų76.522%0.21740%0.402CS..EExtended strand (participates in β ladder)trans-88.6-21.4179.5-65.6-59.2-6000112.5E8 R10 V13 T45E8-M15 HydrophobicContact CB-CB 4.45Å; E8-M15 HydrophobicContact CG-CB 4.15Å; E8-M15 PolarHBondContact O-N 2.78Å; R10-M15 HydrophobicContact CB-CG 3.59Å; R10-M15 HydrophobicContact CB-SD 4.28Å; V13-M15 PolarHBondContact O-N 3.4Å; M15-T45 WeakPolarHBondContact CE-O 3.43Å; M15-T45 CarbonylContact O-C 3.56Å; M15-T45 WeakPolarHBondContact O-CA 3.29Å; M15-T45 WeakPolarHBondContact O-CB 3.4Å; M15-T45 PolarHBondContact O-N 2.82Å
16G89.8Confident89.3Confident2 Ų280.7 Ų80.72%0.02142%0.416CS..EExtended strand (participates in β ladder)trans179.4171.7-179.600000111.7E8 L43E8-G16 PolarHBondContact N-O 2.86Å; E8-G16 PolarHBondContact O-N 2.82Å; G16-L43 CarbonylContact C-O 3.47Å; G16-L43 WeakPolarHBondContact CA-O 3.48Å
17G91.9Very high89.6Confident14 Ų1479.9 Ų79.914%0.14441%0.41CS..EExtended strand (participates in β ladder)trans-162.5154.6177.200000111.7V6 L43V6-G17 CarbonylContact O-C 3.56Å; V6-G17 VanDerWaalsContact O-CA 3.28Å; V6-G17 WeakPolarHBondContact O-CA 3.39Å; G17-L43 PolarHBondContact N-O 3.25Å; G17-L43 PolarHBondContact O-N 3Å
18E93.3Very high90Very high46 Ų4683.2 Ų83.222%0.21542%0.42CS..EExtended strand (participates in β ladder)trans-130.1129.1179.3-169.4168.4-171.800109S5 V6 H39 V41 H42S5-E18 PolarHBondContact N-O 3.01Å; S5-E18 PolarHBondContact OG-O 3.09Å; S5-E18 VanDerWaalsContact OG-O 3.11Å; V6-E18 HydrophobicContact CB-CB 4.04Å; V6-E18 HydrophobicContact CG2-CB 4.49Å; V6-E18 PolarHBondContact N-O 3.42Å; V6-E18 PolarHBondContact O-N 2.89Å; E18-H39 VanDerWaalsContact CD-CD2 3.48Å; E18-H39 HydrophobicContact CG-CB 4.4Å; E18-H39 VanDerWaalsContact OE1-CB 3.26Å; E18-H39 WeakPolarHBondContact OE1-CB 3.27Å; E18-H39 IonicContact OE1-CD2 3.28Å; E18-H39 PolarHBondContact OE1-CD2 2.8Å; E18-H39 IonicContact OE1-CG 2.92Å; E18-H39 IonicContact OE1-NE2 3.56Å; E18-V41 CarbonylContact C-O 3.59Å; E18-V41 WeakPolarHBondContact CA-O 3.15Å; E18-H42 VanDerWaalsContact CD-CE1 3.48Å; E18-H42 IonicContact OE1-CE1 3.53Å; E18-H42 PolarHBondContact OE1-CE1 3.41Å; E18-H42 IonicContact OE1-ND1 2.74Å; E18-H42 IonicContact OE1-NE2 2.75Å
19L93.3Very high90.4Very high57 Ų5782.4 Ų82.430%0.29843%0.433SS..EExtended strand (participates in β ladder)trans-111.5126.3176.1-46.3179.8000109F3 C4 S40 V41F3-L19 WeakPolarHBondContact O-CA 3.47Å; C4-L19 VanDerWaalsContact CA-CD2 3.47Å; C4-L19 HydrophobicContact CB-CD2 3.64Å; L19-S40 PolarHBondContact O-N 2.79Å; L19-V41 HydrophobicContact CB-CB 3.97Å; L19-V41 HydrophobicContact CD1-CB 3.97Å; L19-V41 HydrophobicContact CD1-CG1 4.24Å; L19-V41 HydrophobicContact CD1-CG2 4.26Å; L19-V41 HydrophobicContact CG-CB 4.04Å; L19-V41 HydrophobicContact CG-CG1 4.49Å; L19-V41 PolarHBondContact N-O 3.05Å; L19-V41 PolarHBondContact O-N 2.83Å; L19-V41 VanDerWaalsContact O-N 3.11Å
20T93.1Very high90.8Very high15 Ų1582.8 Ų82.89%0.09244%0.435CS..EExtended strand (participates in β ladder)trans-99143.1176.3-56.20000109.1P2 F3 S5 W38P2-T20 WeakPolarHBondContact CA-O 3.39Å; F3-T20 HydrophobicContact CZ-CG2 4.43Å; F3-T20 PolarHBondContact N-O 3.23Å; F3-T20 PolarHBondContact O-N 3.38Å; S5-T20 VanDerWaalsContact CB-OG1 3.22Å; S5-T20 WeakPolarHBondContact CB-OG1 3.49Å; S5-T20 PolarHBondContact OG-OG1 3.28Å; T20-W38 CarbonylContact C-O 3.56Å; T20-W38 WeakPolarHBondContact CA-O 3.23Å; T20-W38 VanDerWaalsContact CG2-O 3.29Å; T20-W38 WeakPolarHBondContact CG2-O 3.44Å
21C91.1Very high91.3Very high20 Ų2085.9 Ų85.914%0.13545%0.447CS..EExtended strand (participates in β ladder)trans-114.4145.5171.6-158.90000109.5D37 W38C21-D37 WeakPolarHBondContact O-CA 3.39Å; C21-W38 HydrophobicContact CB-CD2 4.19Å; C21-W38 HydrophobicContact CB-CH2 4.28Å; C21-W38 HydrophobicContact CB-CZ2 3.67Å; C21-W38 PolarHBondContact N-O 2.73Å; C21-W38 PolarHBondContact O-N 3.16Å
22S91.8Very high91.8Very high36 Ų3683.6 Ų83.625%0.25243%0.431SS..EExtended strand (participates in β ladder)trans-132.3141.5177.860.20000110.9A36 D37S22-A36 CarbonylContact C-O 3.55Å; S22-A36 WeakPolarHBondContact CA-O 3.32Å; S22-D37 WeakPolarHBondContact CA-OD1 3.39Å; S22-D37 WeakPolarHBondContact CB-OD1 3.36Å
23V91.4Very high92.5Very high44 Ų4485.1 Ų85.127%0.26743%0.43SS..EExtended strand (participates in β ladder)trans-126.9136.4173.2168.70000108.3E25 Y34 S35 A36 W38V23-E25 HydrophobicContact CG1-CG 3.91Å; V23-Y34 HydrophobicContact CG1-CD1 4.44Å; V23-Y34 HydrophobicContact CG1-CE1 4.34Å; V23-S35 CarbonylContact O-C 3.56Å; V23-S35 VanDerWaalsContact O-CA 3.25Å; V23-S35 WeakPolarHBondContact O-CA 3.47Å; V23-A36 PolarHBondContact N-O 3.45Å; V23-A36 PolarHBondContact O-N 3.14Å; V23-W38 HydrophobicContact CB-CH2 4.4Å; V23-W38 HydrophobicContact CB-CZ3 4.23Å; V23-W38 HydrophobicContact CG2-CH2 3.6Å; V23-W38 HydrophobicContact CG2-CZ3 3.92Å
24R93.5Very high93Very high202 Ų20287.4 Ų87.476%0.76243%0.43SS*.EExtended strand (participates in β ladder)trans-137.5124.7174.5-64.7-175.6-179.8-154.1-1.8108.4Y34R24-Y34 CarbonylContact C-O 3.58Å; R24-Y34 WeakPolarHBondContact CA-O 3.49Å
25E93.7Very high93.5Very high120 Ų12088.7 Ų88.756%0.56144%0.442SS*.EExtended strand (participates in β ladder)trans-130.8143.3-177.4-62.7176.8-178.200109.2V23 S33 Y34V23-E25 HydrophobicContact CG1-CG 3.91Å; E25-S33 WeakPolarHBondContact O-CA 3.33Å; E25-Y34 PolarHBondContact N-O 3.19Å; E25-Y34 PolarHBondContact O-N 3.02Å
26E96.1Very high93.7Very high138 Ų13887.6 Ų87.665%0.64544%0.44SS*.EExtended strand (participates in β ladder)trans-137.4126.4179.8-171.5-169.2175.100109.2K28E26-K28 HydrophobicContact CG-CG 4.19Å; E26-K28 WeakPolarHBondContact OE1-CE 3.33Å; E26-K28 WeakPolarHBondContact OE1-CG 3.25Å; E26-K28 WeakPolarHBondContact OE2-CE 2.85Å
27N94.7Very high93.8Very high61 Ų6192.3 Ų92.333%0.32647%0.465SS..EExtended strand (participates in β ladder)trans-11093.1172.4-176.1-13.5000109.6A29 K30 R31 E32N27-A29 VanDerWaalsContact C-N 3.26Å; N27-A29 PolarHBondContact O-N 2.75Å; N27-A29 WeakPolarHBondContact OD1-CB 3.46Å; N27-A29 PolarHBondContact OD1-N 3.08Å; N27-K30 PolarHBondContact O-N 3.13Å; N27-K30 PolarHBondContact OD1-N 2.85Å; N27-R31 WeakPolarHBondContact O-CA 3.33Å; N27-R31 PolarHBondContact O-N 3.48Å; N27-E32 HydrophobicContact CB-CB 4.25Å; N27-E32 PolarHBondContact N-O 3.48Å; N27-E32 PolarHBondContact O-N 2.71Å; N27-E32 VanDerWaalsContact O-N 3.07Å
28K96.9Very high93.8Very high160 Ų16094.3 Ų94.370%0.69647%0.468SS*.THydrogen-bonded Turntrans-63.1-30-179.2-65.5-176178.8-179.10113.5E26E26-K28 HydrophobicContact CG-CG 4.19Å; E26-K28 WeakPolarHBondContact OE1-CE 3.33Å; E26-K28 WeakPolarHBondContact OE1-CG 3.25Å; E26-K28 WeakPolarHBondContact OE2-CE 2.85Å
29A96.8Very high93.8Very high98 Ų9897 Ų9781%0.8148%0.48SS*.THydrogen-bonded Turntrans-68.3-38.1179.700000111.8N27N27-A29 VanDerWaalsContact C-N 3.26Å; N27-A29 PolarHBondContact O-N 2.75Å; N27-A29 WeakPolarHBondContact OD1-CB 3.46Å; N27-A29 PolarHBondContact OD1-N 3.08Å
30K95.8Very high93.7Very high142 Ų14294.7 Ų94.762%0.61747%0.469SS*.THydrogen-bonded Turntrans-98.1-4.3178.2-63.5-171.7178.9-179.20114.3N27 E32N27-K30 PolarHBondContact O-N 3.13Å; N27-K30 PolarHBondContact OD1-N 2.85Å; K30-E32 HydrophobicContact CB-CB 4.43Å; K30-E32 HydrophobicContact CB-CG 3.82Å; K30-E32 WeakPolarHBondContact CD-OE2 3.45Å; K30-E32 PolarHBondContact O-N 2.94Å
31R95.1Very high93.8Very high237 Ų23795.2 Ų95.289%0.89447%0.472SS*.THydrogen-bonded Turntrans5538.3-171.1-56.9-179.9175.2-175.9-1.9112.3N27N27-R31 WeakPolarHBondContact O-CA 3.33Å; N27-R31 PolarHBondContact O-N 3.48Å
32E96.7Very high93.9Very high108 Ų10897.5 Ų97.551%0.50548%0.481SS..EExtended strand (participates in β ladder)trans-104.8145.8177.6-65.6165.3171.200109.4N27 K30N27-E32 HydrophobicContact CB-CB 4.25Å; N27-E32 PolarHBondContact N-O 3.48Å; N27-E32 PolarHBondContact O-N 2.71Å; N27-E32 VanDerWaalsContact O-N 3.07Å; K30-E32 HydrophobicContact CB-CB 4.43Å; K30-E32 HydrophobicContact CB-CG 3.82Å; K30-E32 WeakPolarHBondContact CD-OE2 3.45Å; K30-E32 PolarHBondContact O-N 2.94Å
33S94.4Very high93.9Very high106 Ų10698.3 Ų98.374%0.74148%0.482SS*.EExtended strand (participates in β ladder)trans-136.6149.1171.460.20000110.1E25E25-S33 WeakPolarHBondContact O-CA 3.33Å
34Y93.9Very high93.8Very high131 Ų131100.8 Ų100.851%0.51449%0.489SS..EExtended strand (participates in β ladder)trans-135.5139.1177.6174.7-104.2000109.6V23 R24 E25 A36V23-Y34 HydrophobicContact CG1-CD1 4.44Å; V23-Y34 HydrophobicContact CG1-CE1 4.34Å; R24-Y34 CarbonylContact C-O 3.58Å; R24-Y34 WeakPolarHBondContact CA-O 3.49Å; E25-Y34 PolarHBondContact N-O 3.19Å; E25-Y34 PolarHBondContact O-N 3.02Å; Y34-A36 HydrophobicContact CE1-CB 3.96Å; Y34-A36 WeakPolarHBondContact OH-CB 3.34Å
35S92.9Very high93.3Very high82 Ų8291.7 Ų91.757%0.57346%0.456SS*.EExtended strand (participates in β ladder)trans-144137.6172.960.20000110.3V23V23-S35 CarbonylContact O-C 3.56Å; V23-S35 VanDerWaalsContact O-CA 3.25Å; V23-S35 WeakPolarHBondContact O-CA 3.47Å
36A91.8Very high92.2Very high20 Ų2090.3 Ų90.317%0.16545%0.449CS..EExtended strand (participates in β ladder)trans-143.1136.517500000110.6S22 V23 Y34 W38S22-A36 CarbonylContact C-O 3.55Å; S22-A36 WeakPolarHBondContact CA-O 3.32Å; V23-A36 PolarHBondContact N-O 3.45Å; V23-A36 PolarHBondContact O-N 3.14Å; Y34-A36 HydrophobicContact CE1-CB 3.96Å; Y34-A36 WeakPolarHBondContact OH-CB 3.34Å; A36-W38 HydrophobicContact CB-CE3 4.25Å; A36-W38 HydrophobicContact CB-CZ3 4.11Å
37D91.9Very high90.6Very high102 Ų10286.9 Ų86.955%0.54544%0.439SS..EExtended strand (participates in β ladder)trans-124.4135.3175.4-61.9-43.1000108.5C21 S22C21-D37 WeakPolarHBondContact O-CA 3.39Å; S22-D37 WeakPolarHBondContact CA-OD1 3.39Å; S22-D37 WeakPolarHBondContact CB-OD1 3.36Å
38W91.9Very high88.9Confident55 Ų5588.8 Ų88.821%0.20845%0.446CS..EExtended strand (participates in β ladder)trans-151.1151.217766.794.6000112.4T20 C21 V23 A36 S40 P78T20-W38 CarbonylContact C-O 3.56Å; T20-W38 WeakPolarHBondContact CA-O 3.23Å; T20-W38 VanDerWaalsContact CG2-O 3.29Å; T20-W38 WeakPolarHBondContact CG2-O 3.44Å; C21-W38 HydrophobicContact CB-CD2 4.19Å; C21-W38 HydrophobicContact CB-CH2 4.28Å; C21-W38 HydrophobicContact CB-CZ2 3.67Å; C21-W38 PolarHBondContact N-O 2.73Å; C21-W38 PolarHBondContact O-N 3.16Å; V23-W38 HydrophobicContact CB-CH2 4.4Å; V23-W38 HydrophobicContact CB-CZ3 4.23Å; V23-W38 HydrophobicContact CG2-CH2 3.6Å; V23-W38 HydrophobicContact CG2-CZ3 3.92Å; A36-W38 HydrophobicContact CB-CE3 4.25Å; A36-W38 HydrophobicContact CB-CZ3 4.11Å; W38-S40 PolarHBondContact O-N 2.85Å; W38-P78 HydrophobicContact CD2-CG 3.52Å; W38-P78 VanDerWaalsContact CE2-CD 3.41Å; W38-P78 HydrophobicContact CE3-CG 3.84Å; W38-P78 HydrophobicContact CG-CG 3.91Å; W38-P78 HydrophobicContact CH2-CG 4.23Å; W38-P78 HydrophobicContact CZ2-CG 3.96Å; W38-P78 HydrophobicContact CZ3-CG 4.19Å
39H92.3Very high87Confident102 Ų10288.6 Ų88.647%0.47245%0.453SS..EExtended strand (participates in β ladder)trans-72.5113.1170-51.492.3000107.8E18 T76E18-H39 VanDerWaalsContact CD-CD2 3.48Å; E18-H39 HydrophobicContact CG-CB 4.4Å; E18-H39 VanDerWaalsContact OE1-CB 3.26Å; E18-H39 WeakPolarHBondContact OE1-CB 3.27Å; E18-H39 IonicContact OE1-CD2 3.28Å; E18-H39 PolarHBondContact OE1-CD2 2.8Å; E18-H39 IonicContact OE1-CG 2.92Å; E18-H39 IonicContact OE1-NE2 3.56Å; H39-T76 PolarHBondContact O-OG1 2.87Å
40S92.6Very high85.2Confident9 Ų987.8 Ų87.86%0.06344%0.441CS..EExtended strand (participates in β ladder)trans-100.6-37.9-171.3-171.90000112.2L19 W38 Q75 T76L19-S40 PolarHBondContact O-N 2.79Å; W38-S40 PolarHBondContact O-N 2.85Å; S40-Q75 CarbonylContact O-C 3.45Å; S40-Q75 WeakPolarHBondContact O-CA 3.36Å; S40-Q75 VanDerWaalsContact O-CG 3.27Å; S40-Q75 WeakPolarHBondContact O-CG 3.46Å; S40-T76 WeakPolarHBondContact CA-O 3.32Å; S40-T76 PolarHBondContact O-N 2.88Å; S40-T76 PolarHBondContact O-OG1 2.94Å; S40-T76 PolarHBondContact OG-O 2.79Å
41V93.9Very high84.3Confident26 Ų2682.6 Ų82.616%0.15842%0.419CS..EExtended strand (participates in β ladder)trans-132.9130.5-176.3-178.50000109.4E18 L19 L73 I74 Q75E18-V41 CarbonylContact C-O 3.59Å; E18-V41 WeakPolarHBondContact CA-O 3.15Å; L19-V41 HydrophobicContact CB-CB 3.97Å; L19-V41 HydrophobicContact CD1-CB 3.97Å; L19-V41 HydrophobicContact CD1-CG1 4.24Å; L19-V41 HydrophobicContact CD1-CG2 4.26Å; L19-V41 HydrophobicContact CG-CB 4.04Å; L19-V41 HydrophobicContact CG-CG1 4.49Å; L19-V41 PolarHBondContact N-O 3.05Å; L19-V41 PolarHBondContact O-N 2.83Å; L19-V41 VanDerWaalsContact O-N 3.11Å; V41-L73 HydrophobicContact CG1-CD1 3.43Å; V41-L73 VanDerWaalsContact CG1-CD1 3.43Å; V41-L73 HydrophobicContact CG1-CG 4.49Å; V41-I74 CarbonylContact C-O 3.56Å; V41-I74 WeakPolarHBondContact CA-O 3.5Å; V41-Q75 HydrophobicContact CG2-CB 4.4Å; V41-Q75 HydrophobicContact CG2-CG 4.03Å
42H93.4Very high83.9Confident69 Ų6974.8 Ų74.832%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-119.2124.6172.1-59.1-97.8000109.1E18 I74E18-H42 VanDerWaalsContact CD-CE1 3.48Å; E18-H42 IonicContact OE1-CE1 3.53Å; E18-H42 PolarHBondContact OE1-CE1 3.41Å; E18-H42 IonicContact OE1-ND1 2.74Å; E18-H42 IonicContact OE1-NE2 2.75Å; H42-I74 HydrophobicContact CB-CB 4.41Å; H42-I74 PolarHBondContact N-O 3.41Å; H42-I74 PolarHBondContact O-N 2.86Å
43L92.2Very high83.5Confident52 Ų5272.6 Ų72.627%0.27239%0.388SS..EExtended strand (participates in β ladder)trans-113.9132.5175.6178.670.2000108.4G16 G17 R71 S72 L73 V87G16-L43 CarbonylContact C-O 3.47Å; G16-L43 WeakPolarHBondContact CA-O 3.48Å; G17-L43 PolarHBondContact N-O 3.25Å; G17-L43 PolarHBondContact O-N 3Å; L43-R71 HydrophobicContact CD1-CB 4.06Å; L43-S72 WeakPolarHBondContact CA-O 3.43Å; L43-L73 HydrophobicContact CB-CD1 4.37Å; L43-L73 HydrophobicContact CD1-CD1 4.16Å; L43-V87 HydrophobicContact CD1-CG2 3.44Å; L43-V87 VanDerWaalsContact CD1-CG2 3.44Å
44K89.6Confident83.4Confident96 Ų9672.5 Ų72.542%0.41738%0.379SS..EExtended strand (participates in β ladder)trans-131.4122.8171.8-156.7-174.3-173.1-173.70109.8Q46 R71 S72K44-Q46 HydrophobicContact CD-CG 3.88Å; K44-Q46 VanDerWaalsContact CE-CD 3.49Å; K44-Q46 HydrophobicContact CG-CG 4.03Å; K44-R71 CarbonylContact O-C 3.53Å; K44-R71 WeakPolarHBondContact O-CA 3.43Å; K44-S72 WeakPolarHBondContact CB-OG 3.46Å; K44-S72 PolarHBondContact N-O 3.48Å; K44-S72 PolarHBondContact O-N 3.12Å; K44-S72 PolarHBondContact O-OG 3.3Å
45T82.4Confident83.4Confident12 Ų1271.3 Ų71.37%0.07438%0.38CS..EExtended strand (participates in β ladder)trans-97.787.8171.4-49.10000107V14 M15 R71V14-T45 VanDerWaalsContact O-CB 3.32Å; V14-T45 WeakPolarHBondContact O-CB 3.36Å; V14-T45 PolarHBondContact O-OG1 3.49Å; V14-T45 VanDerWaalsContact O-OG1 3.13Å; M15-T45 WeakPolarHBondContact CE-O 3.43Å; M15-T45 CarbonylContact O-C 3.56Å; M15-T45 WeakPolarHBondContact O-CA 3.29Å; M15-T45 WeakPolarHBondContact O-CB 3.4Å; M15-T45 PolarHBondContact O-N 2.82Å; T45-R71 HydrophobicContact CG2-CG 3.78Å
46Q69.9Low83.5Confident90 Ų9072.3 Ų72.342%0.42138%0.378SS..EExtended strand (participates in β ladder)trans-98.8128.2165.7-73.2-155.5-34.600109.3K44 Q48K44-Q46 HydrophobicContact CD-CG 3.88Å; K44-Q46 VanDerWaalsContact CE-CD 3.49Å; K44-Q46 HydrophobicContact CG-CG 4.03Å; Q46-Q48 PolarHBondContact O-N 3.11Å
47P63.3Low83.7Confident66 Ų6674 Ų7443%0.42938%0.384SS..  trans-63.298147.127.2-25.6000104.7D49 Q69P47-D49 PolarHBondContact O-N 3.26Å; P47-D49 VanDerWaalsContact O-N 3.16Å; P47-Q69 HydrophobicContact CB-CG 4.44Å
48Q59.8Low83.9Confident101 Ų10175.6 Ų75.647%0.47239%0.392SS..  trans-70.9113.7171.1-131.6-179.8-6.100104.4Q46 S50 Q51Q46-Q48 PolarHBondContact O-N 3.11Å; Q48-S50 WeakPolarHBondContact CB-OG 3.31Å; Q48-S50 WeakPolarHBondContact CG-OG 3.48Å; Q48-S50 PolarHBondContact O-N 2.83Å; Q48-S50 PolarHBondContact OE1-OG 2.83Å; Q48-Q51 HydrophobicContact CB-CB 4.5Å; Q48-Q51 HydrophobicContact CB-CG 4.02Å; Q48-Q51 PolarHBondContact O-N 2.93Å
49D55.3Low84.1Confident156 Ų15678 Ų7883%0.83442%0.418SS*.THydrogen-bonded Turntrans-52.5-11.2170.7-66.3-40000112.1P47P47-D49 PolarHBondContact O-N 3.26Å; P47-D49 VanDerWaalsContact O-N 3.16Å
50S60.9Low84.3Confident81 Ų8181.5 Ų81.557%0.56643%0.427SS*.THydrogen-bonded Turntrans-92.70.9173.8650000116.5Q48 T52Q48-S50 WeakPolarHBondContact CB-OG 3.31Å; Q48-S50 WeakPolarHBondContact CG-OG 3.48Å; Q48-S50 PolarHBondContact O-N 2.83Å; Q48-S50 PolarHBondContact OE1-OG 2.83Å; S50-T52 PolarHBondContact O-N 2.98Å
51Q76.3Confident84.4Confident34 Ų3492 Ų9216%0.15947%0.465CS..  trans-98.763.6174.3-72.5-163.8-3.500111.4Q48 W68 S70Q48-Q51 HydrophobicContact CB-CB 4.5Å; Q48-Q51 HydrophobicContact CB-CG 4.02Å; Q48-Q51 PolarHBondContact O-N 2.93Å; Q51-W68 HydrophobicContact CB-CD2 4.42Å; Q51-W68 HydrophobicContact CB-CZ2 4.31Å; Q51-W68 WeakPolarHBondContact CB-O 3.25Å; Q51-W68 PolarHBondContact O-N 2.87Å; Q51-S70 VanDerWaalsContact CD-CB 3.46Å
52T85.5Confident84.6Confident72 Ų7296.1 Ų96.144%0.44248%0.483SS..EExtended strand (participates in β ladder)trans-123.8149.317766.20000109.8S50 R66 Q67S50-T52 PolarHBondContact O-N 2.98Å; T52-R66 CarbonylContact C-O 3.53Å; T52-R66 WeakPolarHBondContact CA-O 3.39Å; T52-Q67 HydrophobicContact CG2-CB 4.29Å; T52-Q67 HydrophobicContact CG2-CG 3.69Å
53M88.4Confident84.7Confident63 Ų6397.5 Ų97.531%0.3150%0.496SS..EExtended strand (participates in β ladder)trans-131.5122176.9175.2-176.7-179.900107M55 M64 S65 R66 W68M53-M55 HydrophobicContact CE-CE 3.11Å; M53-M55 HydrophobicContact CE-CG 3.93Å; M53-M55 HydrophobicContact CE-SD 3.35Å; M53-M55 WeakPolarHBondContact CE-SD 3.45Å; M53-M64 HydrophobicContact CE-CE 3.89Å; M53-M64 HydrophobicContact SD-CE 4.41Å; M53-S65 CarbonylContact O-C 3.47Å; M53-S65 WeakPolarHBondContact O-CA 3.16Å; M53-R66 HydrophobicContact CB-CB 4.46Å; M53-R66 PolarHBondContact N-O 3Å; M53-R66 PolarHBondContact O-N 3.24Å; M53-W68 HydrophobicContact CB-CH2 4.11Å; M53-W68 HydrophobicContact CB-CZ3 3.71Å
54N92Very high84.7Confident103 Ų10399.5 Ų99.555%0.55151%0.505SS*.EExtended strand (participates in β ladder)trans-122.3125.9175.5-168.313.8000108.7M64N54-M64 CarbonylContact C-O 3.52Å; N54-M64 WeakPolarHBondContact CA-O 3.31Å; N54-M64 PolarHBondContact OD1-O 3.34Å
55M94.5Very high84.8Confident106 Ų10699 Ų9952%0.52251%0.513SS..EExtended strand (participates in β ladder)trans-123.4130.9176.6-74.4-175.9156.300108.6M53 T63 M64M53-M55 HydrophobicContact CE-CE 3.11Å; M53-M55 HydrophobicContact CE-CG 3.93Å; M53-M55 HydrophobicContact CE-SD 3.35Å; M53-M55 WeakPolarHBondContact CE-SD 3.45Å; M55-T63 CarbonylContact O-C 3.56Å; M55-T63 WeakPolarHBondContact O-CA 3.26Å; M55-M64 HydrophobicContact CB-CB 4.4Å; M55-M64 HydrophobicContact CB-CE 4.38Å; M55-M64 HydrophobicContact CG-CE 4.23Å; M55-M64 PolarHBondContact N-O 3.11Å; M55-M64 PolarHBondContact O-N 2.86Å; M55-M64 HydrophobicContact SD-CE 3.59Å; M55-M64 VanDerWaalsContact SD-CE 3.59Å
56I96.4Very high85.1Confident103 Ų103105.7 Ų105.753%0.52854%0.537SS..EExtended strand (participates in β ladder)trans-125123.1178.5-56.2172.6000106.8D58 T63I56-D58 WeakPolarHBondContact CG2-OD1 3.35Å; I56-T63 HydrophobicContact CG1-CG2 4.12Å
57D95.8Very high85.9Confident57 Ų57108.3 Ų108.331%0.30555%0.55SS..EExtended strand (participates in β ladder)trans-108.895.3169.7-177-13.6000108.4S59 R60 R61 E62D57-S59 PolarHBondContact O-N 3.36Å; D57-S59 WeakPolarHBondContact OD1-CA 3.26Å; D57-S59 WeakPolarHBondContact OD1-CB 3.28Å; D57-S59 PolarHBondContact OD1-N 2.75Å; D57-S59 PolarHBondContact OD1-OG 3.39Å; D57-R60 PolarHBondContact O-N 3.27Å; D57-R60 PolarHBondContact OD1-N 3.23Å; D57-R60 VanDerWaalsContact OD1-N 3.17Å; D57-R60 VanDerWaalsContact OD2-CD 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.24Å; D57-R60 WeakPolarHBondContact OD2-CG 3.22Å; D57-R60 IonicContact OD2-NE 3.85Å; D57-R61 WeakPolarHBondContact O-CA 3.35Å; D57-R61 PolarHBondContact O-N 3.05Å; D57-E62 HydrophobicContact CB-CB 4.43Å; D57-E62 PolarHBondContact N-O 3.04Å; D57-E62 PolarHBondContact O-N 3.08Å
58D95.9Very high86.9Confident134 Ų134110.6 Ų110.672%0.71755%0.55SS*.THydrogen-bonded Turntrans-66.5-24.9-179.7-65.9-43.3000112.8I56I56-D58 WeakPolarHBondContact CG2-OD1 3.35Å
59S95.9Very high87.9Confident106 Ų106111.7 Ų111.774%0.74156%0.555SS**THydrogen-bonded Turntrans-70.9-35.5179.777.50000111.7D57D57-S59 PolarHBondContact O-N 3.36Å; D57-S59 WeakPolarHBondContact OD1-CA 3.26Å; D57-S59 WeakPolarHBondContact OD1-CB 3.28Å; D57-S59 PolarHBondContact OD1-N 2.75Å; D57-S59 PolarHBondContact OD1-OG 3.39Å
60R96.1Very high89.2Confident175 Ų175105.3 Ų105.366%0.6652%0.523SS*.THydrogen-bonded Turntrans-99.6-7.9176.9-60.8-175.9-176.2-148.4-1.6113.6D57 E62D57-R60 PolarHBondContact O-N 3.27Å; D57-R60 PolarHBondContact OD1-N 3.23Å; D57-R60 VanDerWaalsContact OD1-N 3.17Å; D57-R60 VanDerWaalsContact OD2-CD 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.24Å; D57-R60 WeakPolarHBondContact OD2-CG 3.22Å; D57-R60 IonicContact OD2-NE 3.85Å; R60-E62 VanDerWaalsContact C-N 3.28Å; R60-E62 HydrophobicContact CB-CB 4.4Å; R60-E62 HydrophobicContact CB-CG 3.88Å
61R95.3Very high90.5Very high229 Ų229106.3 Ų106.386%0.86451%0.514SS*.THydrogen-bonded Turntrans57.540.3-171.6-54.7-178.2175.2-157.3-1.7112.4D57D57-R61 WeakPolarHBondContact O-CA 3.35Å; D57-R61 PolarHBondContact O-N 3.05Å
62E96.9Very high91.2Very high114 Ų114107 Ų10753%0.53352%0.523SS..EExtended strand (participates in β ladder)trans-109.2138.8-179.1-68.2176-168.200110.5D57 R60D57-E62 HydrophobicContact CB-CB 4.43Å; D57-E62 PolarHBondContact N-O 3.04Å; D57-E62 PolarHBondContact O-N 3.08Å; R60-E62 VanDerWaalsContact C-N 3.28Å; R60-E62 HydrophobicContact CB-CB 4.4Å; R60-E62 HydrophobicContact CB-CG 3.88Å
63T95.5Very high91.6Very high97 Ų97105.7 Ų105.760%0.59551%0.512SS*.EExtended strand (participates in β ladder)trans-130.1126.8176.3-590000109.2M55 I56M55-T63 CarbonylContact O-C 3.56Å; M55-T63 WeakPolarHBondContact O-CA 3.26Å; I56-T63 HydrophobicContact CG1-CG2 4.12Å
64M93.8Very high91.8Very high95 Ų95105.5 Ų105.547%0.46851%0.512SS..EExtended strand (participates in β ladder)trans-117.7120.8173.7-177.2-175.373.100109.8M53 N54 M55M53-M64 HydrophobicContact CE-CE 3.89Å; M53-M64 HydrophobicContact SD-CE 4.41Å; N54-M64 CarbonylContact C-O 3.52Å; N54-M64 WeakPolarHBondContact CA-O 3.31Å; N54-M64 PolarHBondContact OD1-O 3.34Å; M55-M64 HydrophobicContact CB-CB 4.4Å; M55-M64 HydrophobicContact CB-CE 4.38Å; M55-M64 HydrophobicContact CG-CE 4.23Å; M55-M64 PolarHBondContact N-O 3.11Å; M55-M64 PolarHBondContact O-N 2.86Å; M55-M64 HydrophobicContact SD-CE 3.59Å; M55-M64 VanDerWaalsContact SD-CE 3.59Å
65S91.6Very high91.9Very high84 Ų84103.1 Ų103.159%0.58750%0.498SS*.EExtended strand (participates in β ladder)trans-117.5131.4172.6-177.20000110.3M53M53-S65 CarbonylContact O-C 3.47Å; M53-S65 WeakPolarHBondContact O-CA 3.16Å
66R88.7Confident91.8Very high153 Ų153100 Ų10058%0.57749%0.485SS*.EExtended strand (participates in β ladder)trans-134.2137.7178.7-173-177.8178.9-170.51.2110.2T52 M53 W68T52-R66 CarbonylContact C-O 3.53Å; T52-R66 WeakPolarHBondContact CA-O 3.39Å; M53-R66 HydrophobicContact CB-CB 4.46Å; M53-R66 PolarHBondContact N-O 3Å; M53-R66 PolarHBondContact O-N 3.24Å; R66-W68 HydrophobicContact CG-CE3 4.19Å
67Q86.6Confident91.4Very high146 Ų14696.6 Ų96.668%0.68247%0.47SS*.EExtended strand (participates in β ladder)trans-124.7147.3170.8-50.9-171-1800108.9T52T52-Q67 HydrophobicContact CG2-CB 4.29Å; T52-Q67 HydrophobicContact CG2-CG 3.69Å
68W82.7Confident91.1Very high113 Ų11398.1 Ų98.143%0.42848%0.482SS..  trans-146.1161.9173.464.890.8000111.5Q51 M53 R66Q51-W68 HydrophobicContact CB-CD2 4.42Å; Q51-W68 HydrophobicContact CB-CZ2 4.31Å; Q51-W68 WeakPolarHBondContact CB-O 3.25Å; Q51-W68 PolarHBondContact O-N 2.87Å; M53-W68 HydrophobicContact CB-CH2 4.11Å; M53-W68 HydrophobicContact CB-CZ3 3.71Å; R66-W68 HydrophobicContact CG-CE3 4.19Å
69Q80.9Confident90.6Very high125 Ų12595.6 Ų95.658%0.58448%0.476SS*.  trans-99.3143.4175.4-65.7178.3-11.400109.4P47P47-Q69 HydrophobicContact CB-CG 4.44Å
70S83.4Confident90.2Very high22 Ų2291.5 Ų91.515%0.15445%0.45CS..EExtended strand (participates in β ladder)trans-128.9131.1172.9170.50000108.8Q51 T86Q51-S70 VanDerWaalsContact CD-CB 3.46Å; S70-T86 VanDerWaalsContact OG-CG2 3.25Å; S70-T86 WeakPolarHBondContact OG-CG2 3.4Å
71R88.6Confident89.9Confident102 Ų10284 Ų8439%0.38542%0.424SS..EExtended strand (participates in β ladder)trans-100.7105.7179.8-71.4172.1-66.2-173.10.4108.7L43 K44 T45 T86 V87 E88L43-R71 HydrophobicContact CD1-CB 4.06Å; K44-R71 CarbonylContact O-C 3.53Å; K44-R71 WeakPolarHBondContact O-CA 3.43Å; T45-R71 HydrophobicContact CG2-CG 3.78Å; R71-T86 CarbonylContact O-C 3.56Å; R71-T86 WeakPolarHBondContact O-CA 3.32Å; R71-T86 WeakPolarHBondContact O-CB 3.49Å; R71-V87 HydrophobicContact CB-CB 4.05Å; R71-V87 HydrophobicContact CB-CG2 3.73Å; R71-V87 PolarHBondContact O-N 2.76Å; R71-E88 IonicContact CZ-OE1 3.14Å; R71-E88 VanDerWaalsContact CZ-OE1 3.28Å; R71-E88 PolarHBondContact N-OE1 2.99Å; R71-E88 PolarHBondContact N-OE2 3.1Å; R71-E88 VanDerWaalsContact N-OE2 3.11Å; R71-E88 IonicContact NE-OE1 3.72Å; R71-E88 PolarHBondContact NE-OE1 3.31Å; R71-E88 IonicContact NH2-OE1 2.71Å; R71-E88 PolarHBondContact NH2-OE1 2.76Å
72S90.8Very high89.8Confident49 Ų4975.6 Ų75.634%0.34339%0.393SS..EExtended strand (participates in β ladder)trans-70.3133.5177.160.60000109.9L43 K44 G85L43-S72 WeakPolarHBondContact CA-O 3.43Å; K44-S72 WeakPolarHBondContact CB-OG 3.46Å; K44-S72 PolarHBondContact N-O 3.48Å; K44-S72 PolarHBondContact O-N 3.12Å; K44-S72 PolarHBondContact O-OG 3.3Å; S72-G85 WeakPolarHBondContact CA-O 3.45Å
73L92.8Very high89.7Confident43 Ų4373.2 Ų73.223%0.22538%0.38CS..EExtended strand (participates in β ladder)trans-122.6126177.9-175.467.7000109V41 L43 V84 G85 V87 V91V41-L73 HydrophobicContact CG1-CD1 3.43Å; V41-L73 VanDerWaalsContact CG1-CD1 3.43Å; V41-L73 HydrophobicContact CG1-CG 4.49Å; L43-L73 HydrophobicContact CB-CD1 4.37Å; L43-L73 HydrophobicContact CD1-CD1 4.16Å; L73-V84 WeakPolarHBondContact O-CA 3.34Å; L73-G85 PolarHBondContact N-O 3.11Å; L73-G85 PolarHBondContact O-N 3.21Å; L73-V87 HydrophobicContact CB-CG2 4.26Å; L73-V91 HydrophobicContact CB-CG1 4.16Å; L73-V91 HydrophobicContact CD2-CG1 3.78Å; L73-V91 HydrophobicContact CG-CG1 4.15Å
74I94.2Very high89.6Confident60 Ų6071.2 Ų71.231%0.30837%0.367SS..EExtended strand (participates in β ladder)trans-122.9133.6175.8-60.8170.6000107.5V41 H42 F82 R83 V84V41-I74 CarbonylContact C-O 3.56Å; V41-I74 WeakPolarHBondContact CA-O 3.5Å; H42-I74 HydrophobicContact CB-CB 4.41Å; H42-I74 PolarHBondContact N-O 3.41Å; H42-I74 PolarHBondContact O-N 2.86Å; I74-F82 HydrophobicContact CG2-CD2 4.45Å; I74-F82 HydrophobicContact CG2-CE2 3.48Å; I74-F82 VanDerWaalsContact CG2-CE2 3.48Å; I74-F82 HydrophobicContact CG2-CZ 3.73Å; I74-R83 CarbonylContact C-O 3.36Å; I74-R83 WeakPolarHBondContact CA-O 3.3Å; I74-V84 HydrophobicContact CG1-CG2 4.15Å
75Q94.1Very high89.6Confident53 Ų5367.8 Ų67.825%0.24836%0.356CS..EExtended strand (participates in β ladder)trans-125.9132.5172.5-176.3-176.313.300110.6S40 V41 F82 R83S40-Q75 CarbonylContact O-C 3.45Å; S40-Q75 WeakPolarHBondContact O-CA 3.36Å; S40-Q75 VanDerWaalsContact O-CG 3.27Å; S40-Q75 WeakPolarHBondContact O-CG 3.46Å; V41-Q75 HydrophobicContact CG2-CB 4.4Å; V41-Q75 HydrophobicContact CG2-CG 4.03Å; Q75-F82 CarbonylContact O-C 3.52Å; Q75-F82 WeakPolarHBondContact O-CA 3.28Å; Q75-R83 HydrophobicContact CB-CB 4.1Å; Q75-R83 PolarHBondContact N-O 2.85Å; Q75-R83 PolarHBondContact O-N 2.91Å
76T92.2Very high89.5Confident41 Ų4165.2 Ų65.225%0.25234%0.337SS..EExtended strand (participates in β ladder)trans-119.5135.8178.437.10000110H39 S40 F82H39-T76 PolarHBondContact O-OG1 2.87Å; S40-T76 WeakPolarHBondContact CA-O 3.32Å; S40-T76 PolarHBondContact O-N 2.88Å; S40-T76 PolarHBondContact O-OG1 2.94Å; S40-T76 PolarHBondContact OG-O 2.79Å; T76-F82 HydrophobicContact CG2-CD2 3.79Å; T76-F82 HydrophobicContact CG2-CE2 3.98Å
77C87.8Confident89.6Confident31 Ų3161.1 Ų61.121%0.20933%0.328CS..  trans-128141175.8-64.40000110.6S79 G80 V81C77-S79 WeakPolarHBondContact CB-OG 3.07Å; C77-S79 PolarHBondContact O-N 2.92Å; C77-S79 VanDerWaalsContact O-N 3.08Å; C77-G80 PolarHBondContact O-N 2.83Å; C77-V81 HydrophobicContact CB-CB 4.25Å; C77-V81 PolarHBondContact N-O 2.77Å
78P89.1Confident89.6Confident88 Ų8858.2 Ų58.257%0.57132%0.315SS*.THydrogen-bonded Turntrans-58-21.2175.7-26.734.7000114.2W38 G80W38-P78 HydrophobicContact CD2-CG 3.52Å; W38-P78 VanDerWaalsContact CE2-CD 3.41Å; W38-P78 HydrophobicContact CE3-CG 3.84Å; W38-P78 HydrophobicContact CG-CG 3.91Å; W38-P78 HydrophobicContact CH2-CG 4.23Å; W38-P78 HydrophobicContact CZ2-CG 3.96Å; W38-P78 HydrophobicContact CZ3-CG 4.19Å; P78-G80 PolarHBondContact O-N 2.83Å; P78-G80 VanDerWaalsContact O-N 3.13Å
79S86.3Confident89.9Confident82 Ų8264.1 Ų64.157%0.57334%0.337SS*.THydrogen-bonded Turntrans-67.5-1.9173.157.60000114.6C77 V81 Q95C77-S79 WeakPolarHBondContact CB-OG 3.07Å; C77-S79 PolarHBondContact O-N 2.92Å; C77-S79 VanDerWaalsContact O-N 3.08Å; S79-V81 VanDerWaalsContact C-N 3.27Å; S79-V81 PolarHBondContact O-N 2.8Å; S79-Q95 PolarHBondContact O-NE2 2.86Å
80G87Confident90.3Very high19 Ų1960.1 Ų60.120%0.19633%0.329CS..SBendtrans82.21.7-174.500000113.6C77 P78 Q95 L96C77-G80 PolarHBondContact O-N 2.83Å; P78-G80 PolarHBondContact O-N 2.83Å; P78-G80 VanDerWaalsContact O-N 3.13Å; G80-Q95 PolarHBondContact O-NE2 3.13Å; G80-L96 WeakPolarHBondContact O-CB 3.47Å; G80-L96 PolarHBondContact O-N 3.36Å
81V90.4Very high90.8Very high19 Ų1962 Ų6212%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-75.1129.8172.3179.70000109.8C77 S79 R83 E93C77-V81 HydrophobicContact CB-CB 4.25Å; C77-V81 PolarHBondContact N-O 2.77Å; S79-V81 VanDerWaalsContact C-N 3.27Å; S79-V81 PolarHBondContact O-N 2.8Å; V81-R83 HydrophobicContact CG1-CG 4.32Å; V81-E93 HydrophobicContact CG1-CG 3.58Å
82F91.9Very high91Very high51 Ų5166 Ų6622%0.22436%0.355CS..EExtended strand (participates in β ladder)trans-125.3124.2178.6-178.1-103.4000109.8I74 Q75 T76 V84 E93 H94 L96I74-F82 HydrophobicContact CG2-CD2 4.45Å; I74-F82 HydrophobicContact CG2-CE2 3.48Å; I74-F82 VanDerWaalsContact CG2-CE2 3.48Å; I74-F82 HydrophobicContact CG2-CZ 3.73Å; Q75-F82 CarbonylContact O-C 3.52Å; Q75-F82 WeakPolarHBondContact O-CA 3.28Å; T76-F82 HydrophobicContact CG2-CD2 3.79Å; T76-F82 HydrophobicContact CG2-CE2 3.98Å; F82-V84 HydrophobicContact CD1-CB 4.39Å; F82-V84 HydrophobicContact CD1-CG1 4.27Å; F82-V84 HydrophobicContact CE1-CB 3.65Å; F82-V84 HydrophobicContact CE1-CG1 3.74Å; F82-V84 HydrophobicContact CE1-CG2 4.46Å; F82-V84 HydrophobicContact CZ-CB 4.15Å; F82-E93 CarbonylContact O-C 3.57Å; F82-H94 HydrophobicContact CB-CB 4.45Å; F82-H94 HydrophobicContact CD1-CB 4.37Å; F82-H94 PolarHBondContact N-O 2.95Å; F82-H94 WeakPolarHBondContact O-CA 3.3Å; F82-H94 PolarHBondContact O-N 2.95Å; F82-H94 VanDerWaalsContact O-O 3.11Å; F82-L96 HydrophobicContact CB-CD1 3.68Å; F82-L96 HydrophobicContact CB-CG 3.73Å; F82-L96 HydrophobicContact CD2-CD1 4.15Å; F82-L96 HydrophobicContact CG-CD1 4.19Å; F82-L96 HydrophobicContact CG-CG 4.33Å
83R94.6Very high91.1Very high65 Ų6568.8 Ų68.825%0.24536%0.363CS..EExtended strand (participates in β ladder)trans-115.3133.2174.9-47.5-172.3176.789.36.1110.2I74 Q75 V81 V91 R92 E93I74-R83 CarbonylContact C-O 3.36Å; I74-R83 WeakPolarHBondContact CA-O 3.3Å; Q75-R83 HydrophobicContact CB-CB 4.1Å; Q75-R83 PolarHBondContact N-O 2.85Å; Q75-R83 PolarHBondContact O-N 2.91Å; V81-R83 HydrophobicContact CG1-CG 4.32Å; R83-V91 HydrophobicContact CB-CB 4.11Å; R83-V91 HydrophobicContact CB-CG2 4.04Å; R83-R92 CarbonylContact C-O 3.58Å; R83-R92 VanDerWaalsContact CA-O 3.23Å; R83-R92 WeakPolarHBondContact CA-O 3.41Å; R83-E93 HydrophobicContact CG-CB 4.19Å; R83-E93 HydrophobicContact CG-CG 4.14Å; R83-E93 IonicContact CZ-OE2 3.71Å; R83-E93 IonicContact NE-OE2 3.04Å; R83-E93 PolarHBondContact NE-OE2 3.47Å; R83-E93 IonicContact NH2-OE2 2.77Å; R83-E93 PolarHBondContact NH2-OE2 3.37Å
84V94.8Very high90.9Very high54 Ų5470.6 Ų70.633%0.32737%0.37SS..EExtended strand (participates in β ladder)trans-139.6141.1-18061.10000110.7L73 I74 F82 R92L73-V84 WeakPolarHBondContact O-CA 3.34Å; I74-V84 HydrophobicContact CG1-CG2 4.15Å; F82-V84 HydrophobicContact CD1-CB 4.39Å; F82-V84 HydrophobicContact CD1-CG1 4.27Å; F82-V84 HydrophobicContact CE1-CB 3.65Å; F82-V84 HydrophobicContact CE1-CG1 3.74Å; F82-V84 HydrophobicContact CE1-CG2 4.46Å; F82-V84 HydrophobicContact CZ-CB 4.15Å; V84-R92 PolarHBondContact N-O 3.11Å; V84-R92 PolarHBondContact O-N 3.07Å
85G92.5Very high90.6Very high23 Ų2373.1 Ų73.124%0.23738%0.38CS..EExtended strand (participates in β ladder)trans170.1-146.9175.600000111.8S72 L73S72-G85 WeakPolarHBondContact CA-O 3.45Å; L73-G85 PolarHBondContact N-O 3.11Å; L73-G85 PolarHBondContact O-N 3.21Å
86T91.1Very high89.8Confident30 Ų3075.3 Ų75.318%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-125.9153.9177.278.90000110.5S70 R71 E88 R89 G90S70-T86 VanDerWaalsContact OG-CG2 3.25Å; S70-T86 WeakPolarHBondContact OG-CG2 3.4Å; R71-T86 CarbonylContact O-C 3.56Å; R71-T86 WeakPolarHBondContact O-CA 3.32Å; R71-T86 WeakPolarHBondContact O-CB 3.49Å; T86-E88 WeakPolarHBondContact CB-OE2 3.4Å; T86-E88 PolarHBondContact O-N 2.99Å; T86-E88 PolarHBondContact OG1-OE2 2.99Å; T86-R89 PolarHBondContact O-N 3.11Å; T86-R89 PolarHBondContact OG1-N 3.08Å; T86-R89 VanDerWaalsContact OG1-N 3.12Å; T86-G90 PolarHBondContact N-O 3Å; T86-G90 VanDerWaalsContact N-O 3.11Å; T86-G90 CarbonylContact O-C 3.56Å; T86-G90 VanDerWaalsContact O-CA 3.32Å; T86-G90 WeakPolarHBondContact O-CA 3.22Å; T86-G90 PolarHBondContact O-N 3.28Å; T86-G90 VanDerWaalsContact O-O 3.09Å
87V89.1Confident88.7Confident67 Ų6778.5 Ų78.541%0.40641%0.408SS..THydrogen-bonded Turntrans-60.8-34.4176.9178.80000110.7L43 R71 L73L43-V87 HydrophobicContact CD1-CG2 3.44Å; L43-V87 VanDerWaalsContact CD1-CG2 3.44Å; R71-V87 HydrophobicContact CB-CB 4.05Å; R71-V87 HydrophobicContact CB-CG2 3.73Å; R71-V87 PolarHBondContact O-N 2.76Å; L73-V87 HydrophobicContact CB-CG2 4.26Å
88E87.4Confident88Confident86 Ų8682.5 Ų82.540%0.40243%0.434SS..THydrogen-bonded Turntrans-76.1-37.4-175.6-59.771.2-150.100113.2R71 T86R71-E88 IonicContact CZ-OE1 3.14Å; R71-E88 VanDerWaalsContact CZ-OE1 3.28Å; R71-E88 PolarHBondContact N-OE1 2.99Å; R71-E88 PolarHBondContact N-OE2 3.1Å; R71-E88 VanDerWaalsContact N-OE2 3.11Å; R71-E88 IonicContact NE-OE1 3.72Å; R71-E88 PolarHBondContact NE-OE1 3.31Å; R71-E88 IonicContact NH2-OE1 2.71Å; R71-E88 PolarHBondContact NH2-OE1 2.76Å; T86-E88 WeakPolarHBondContact CB-OE2 3.4Å; T86-E88 PolarHBondContact O-N 2.99Å; T86-E88 PolarHBondContact OG1-OE2 2.99Å
89R88.2Confident86.7Confident236 Ų23687 Ų8789%0.89144%0.444SS*.THydrogen-bonded Turntrans-104.4-10.1-175.4-69.3-176.1176.5-112.23113.6T86T86-R89 PolarHBondContact O-N 3.11Å; T86-R89 PolarHBondContact OG1-N 3.08Å; T86-R89 VanDerWaalsContact OG1-N 3.12Å
90G90.9Very high85.4Confident41 Ų4191 Ų9142%0.42345%0.447SS..EExtended strand (participates in β ladder)trans90.2178.6-173.100000113.2T86T86-G90 PolarHBondContact N-O 3Å; T86-G90 VanDerWaalsContact N-O 3.11Å; T86-G90 CarbonylContact O-C 3.56Å; T86-G90 VanDerWaalsContact O-CA 3.32Å; T86-G90 WeakPolarHBondContact O-CA 3.22Å; T86-G90 PolarHBondContact O-N 3.28Å; T86-G90 VanDerWaalsContact O-O 3.09Å
91V92.8Very high83.8Confident63 Ų6396.2 Ų96.238%0.38247%0.47SS..EExtended strand (participates in β ladder)trans-111.9147.5-177.7-65.60000111.3L73 R83L73-V91 HydrophobicContact CB-CG1 4.16Å; L73-V91 HydrophobicContact CD2-CG1 3.78Å; L73-V91 HydrophobicContact CG-CG1 4.15Å; R83-V91 HydrophobicContact CB-CB 4.11Å; R83-V91 HydrophobicContact CB-CG2 4.04Å
92R93.6Very high82.2Confident186 Ų186100.8 Ų100.870%0.70250%0.498SS*.EExtended strand (participates in β ladder)trans-102.1138.3168.9-175.9174.1-75.7-151.8-3.5109.4R83 V84 H94R83-R92 CarbonylContact C-O 3.58Å; R83-R92 VanDerWaalsContact CA-O 3.23Å; R83-R92 WeakPolarHBondContact CA-O 3.41Å; V84-R92 PolarHBondContact N-O 3.11Å; V84-R92 PolarHBondContact O-N 3.07Å; R92-H94 PolarHBondContact O-CD2 2.74Å
93E93Very high80.4Confident107 Ų107104.6 Ų104.650%0.552%0.52SS..EExtended strand (participates in β ladder)trans-90.6141.3176.9-172.6170.5120.600111.5V81 F82 R83V81-E93 HydrophobicContact CG1-CG 3.58Å; F82-E93 CarbonylContact O-C 3.57Å; R83-E93 HydrophobicContact CG-CB 4.19Å; R83-E93 HydrophobicContact CG-CG 4.14Å; R83-E93 IonicContact CZ-OE2 3.71Å; R83-E93 IonicContact NE-OE2 3.04Å; R83-E93 PolarHBondContact NE-OE2 3.47Å; R83-E93 IonicContact NH2-OE2 2.77Å; R83-E93 PolarHBondContact NH2-OE2 3.37Å
94H88.9Confident78.6Confident80 Ų80107.7 Ų107.737%0.3755%0.549SS..EExtended strand (participates in β ladder)trans-139.2139.8-179.9-58.9-90.4000108.8F82 R92F82-H94 HydrophobicContact CB-CB 4.45Å; F82-H94 HydrophobicContact CD1-CB 4.37Å; F82-H94 PolarHBondContact N-O 2.95Å; F82-H94 WeakPolarHBondContact O-CA 3.3Å; F82-H94 PolarHBondContact O-N 2.95Å; F82-H94 VanDerWaalsContact O-O 3.11Å; R92-H94 PolarHBondContact O-CD2 2.74Å
95Q86.7Confident76.6Confident113 Ų113108.7 Ų108.753%0.52855%0.552SS.*EExtended strand (participates in β ladder)trans-88.6119.6168.4-168.465.833.100108.7S79 G80 L97S79-Q95 PolarHBondContact O-NE2 2.86Å; G80-Q95 PolarHBondContact O-NE2 3.13Å; Q95-L97 PolarHBondContact O-N 2.73Å; Q95-L97 VanDerWaalsContact O-N 3.16Å
96L77.9Confident74.8Confident99 Ų99112.8 Ų112.852%0.51857%0.574SS.*  trans-70.8107.7172.3-77.5159.6000108.8G80 F82G80-L96 WeakPolarHBondContact O-CB 3.47Å; G80-L96 PolarHBondContact O-N 3.36Å; F82-L96 HydrophobicContact CB-CD1 3.68Å; F82-L96 HydrophobicContact CB-CG 3.73Å; F82-L96 HydrophobicContact CD2-CD1 4.15Å; F82-L96 HydrophobicContact CG-CD1 4.19Å; F82-L96 HydrophobicContact CG-CG 4.33Å
97L69.2Low73Confident109 Ų109117.9 Ų117.957%0.57160%0.599SS**  trans-80.5144.5165.5-62.1176.7000109Q95 K99Q95-L97 PolarHBondContact O-N 2.73Å; Q95-L97 VanDerWaalsContact O-N 3.16Å; L97-K99 PolarHBondContact O-N 2.87Å
98P72.3Confident71.4Confident115 Ų115122.5 Ų122.575%0.74761%0.614SS**  trans-52.7119.1172.5-23.131.8000109.5R100P98-R100 PolarHBondContact O-N 3.14Å
99K61.3Low69.8Low181 Ų181122.6 Ų122.679%0.78762%0.621SS**  trans-66.298.5-179.6-171.9-179.9179.8-179.60108.8L97 N101L97-K99 PolarHBondContact O-N 2.87Å; K99-N101 VanDerWaalsContact CE-OD1 3.31Å; K99-N101 WeakPolarHBondContact CE-OD1 3.35Å; K99-N101 PolarHBondContact O-N 3.27Å
100R59.7Low68Low166 Ų166115.1 Ų115.163%0.62660%0.603SS**  trans-72.198.7171.5-75.7-175.6166.5150.92.5108.4P98 T102P98-R100 PolarHBondContact O-N 3.14Å; R100-T102 PolarHBondContact O-N 3.09Å
101N53.7Low66.3Low130 Ų130117.9 Ų117.970%0.69562%0.622SS**  trans-76.643168.9-70-22.9000111K99 L103K99-N101 VanDerWaalsContact CE-OD1 3.31Å; K99-N101 WeakPolarHBondContact CE-OD1 3.35Å; K99-N101 PolarHBondContact O-N 3.27Å; N101-L103 PolarHBondContact O-N 3.47Å
102T56Low64.5Low114 Ų114123.2 Ų123.270%0.69964%0.643SS**  trans-78.5102.9167.542.80000106.6R100R100-T102 PolarHBondContact O-N 3.09Å
103L54.8Low62.4Low131 Ų131118.9 Ų118.969%0.68663%0.633SS**  trans-52.4132.6164-67.4167.2000106.9N101 L105N101-L103 PolarHBondContact O-N 3.47Å; L103-L105 HydrophobicContact CB-CD1 4.08Å; L103-L105 HydrophobicContact CB-CG 3.86Å; L103-L105 HydrophobicContact CD1-CD1 3.84Å; L103-L105 HydrophobicContact CD1-CG 4.45Å; L103-L105 PolarHBondContact O-N 3.25Å
104P55.9Low60.2Low131 Ų131117 Ų11785%0.85164%0.642SS**  trans-72.459.9170.531.7-34.2000108.9
105L53.9Low58.2Low75 Ų75119.1 Ų119.139%0.39366%0.661SS.*  trans-90.2119.7170.1-70.5176.3000106.9L103 I107 F108L103-L105 HydrophobicContact CB-CD1 4.08Å; L103-L105 HydrophobicContact CB-CG 3.86Å; L103-L105 HydrophobicContact CD1-CD1 3.84Å; L103-L105 HydrophobicContact CD1-CG 4.45Å; L103-L105 PolarHBondContact O-N 3.25Å; L105-I107 HydrophobicContact CB-CG1 4.44Å; L105-I107 PolarHBondContact O-N 2.97Å; L105-F108 HydrophobicContact CB-CD2 4.39Å; L105-F108 PolarHBondContact O-N 3.47Å; L105-F108 VanDerWaalsContact O-N 3.12Å
106P54.4Low56.5Low108 Ų108124.7 Ų124.770%0.70168%0.677SS**G310 helixtrans-60.4-14.1179.321.7-30.8000113.3F108 T109P106-F108 VanDerWaalsContact C-N 3.32Å; P106-F108 PolarHBondContact O-N 3.14Å; P106-T109 PolarHBondContact O-OG1 2.73Å; P106-T109 VanDerWaalsContact O-OG1 3.08Å
107I54.3Low55.2Low137 Ų137124.5 Ų124.570%0.70368%0.676SS**G310 helixtrans-73.6-21.3179.7-24.6175.6000112.8L105L105-I107 HydrophobicContact CB-CG1 4.44Å; L105-I107 PolarHBondContact O-N 2.97Å
108F54.5Low54.2Low164 Ų164122.2 Ų122.272%0.71968%0.678SS**G310 helixtrans-120.527.9-179.2-62.9-73.4000112.5L105 P106 P110L105-F108 HydrophobicContact CB-CD2 4.39Å; L105-F108 PolarHBondContact O-N 3.47Å; L105-F108 VanDerWaalsContact O-N 3.12Å; P106-F108 VanDerWaalsContact C-N 3.32Å; P106-F108 PolarHBondContact O-N 3.14Å; F108-P110 VanDerWaalsContact O-CD 3.26Å; F108-P110 WeakPolarHBondContact O-CD 3.44Å
109T54.1Low53Low88 Ų88129 Ų12954%0.5469%0.689SS.*  trans-81.2115.9165.147.40000108P106 A111P106-T109 PolarHBondContact O-OG1 2.73Å; P106-T109 VanDerWaalsContact O-OG1 3.08Å; T109-A111 PolarHBondContact O-N 3.12Å
110P50.5Low52.5Low79 Ų79124.4 Ų124.451%0.51369%0.693SS.*  trans-52.2132.2157.1-19.132.3000106.3F108 E112 L113F108-P110 VanDerWaalsContact O-CD 3.26Å; F108-P110 WeakPolarHBondContact O-CD 3.44Å; P110-E112 PolarHBondContact O-N 3.2Å; P110-L113 HydrophobicContact CB-CD1 4.44Å; P110-L113 HydrophobicContact CG-CD1 3.84Å; P110-L113 PolarHBondContact O-N 3.46Å; P110-L113 VanDerWaalsContact O-N 3.08Å
111A54.2Low52.1Low100 Ų100119.4 Ų119.483%0.82669%0.687SS**THydrogen-bonded Turntrans-53.5-11.6-171.500000114.5T109T109-A111 PolarHBondContact O-N 3.12Å
112E55Low52Low175 Ų175118.9 Ų118.982%0.81869%0.69SS**THydrogen-bonded Turntrans-108.9-8.5-173.6-59.3-175.5177.500114.9P110P110-E112 PolarHBondContact O-N 3.2Å
113L49.9Very low52Low94 Ų94119.5 Ų119.549%0.49269%0.685SS.*THydrogen-bonded Turntrans-82.4-13.3-179.7-83.9172.7000114P110 F131P110-L113 HydrophobicContact CB-CD1 4.44Å; P110-L113 HydrophobicContact CG-CD1 3.84Å; P110-L113 PolarHBondContact O-N 3.46Å; P110-L113 VanDerWaalsContact O-N 3.08Å; L113-F131 HydrophobicContact CD2-CE1 3.96Å; L113-F131 HydrophobicContact CD2-CZ 3.96Å
114G46.1Very low52.3Low68 Ų68117.1 Ų117.170%0.70168%0.676SS**THydrogen-bonded Turntrans-82.7-9.5-174.800000115.8
115V48.3Very low52.4Low125 Ų125118.9 Ų118.976%0.75867%0.673SS**SBendtrans-95.3-14.3-168.7-171.90000113.4
116R50.6Low52.6Low230 Ų230122 Ų12287%0.86869%0.686SS**SBendtrans-119.1-8.5-167.9-76.1-166.4152.5-175.1-5.5119
117L51.5Low52.7Low94 Ų94119 Ų11949%0.49266%0.664SS.*  trans-120.589.2179.9-81.3142.2000110.3R119L117-R119 PolarHBondContact O-N 3.24Å
118G48Very low52.8Low61 Ų61118.6 Ų118.663%0.62966%0.663SS**  trans-48.4130.3163.100000110G120G118-G120 PolarHBondContact O-N 3.31Å
119R46.8Very low53Low259 Ų259116.6 Ų116.698%0.97766%0.658SS**THydrogen-bonded Turntrans-49.9109-177.6-156.7-173.1-62.5-113.53.3110.5L117L117-R119 PolarHBondContact O-N 3.24Å
120G50.7Low53.1Low83 Ų83118.1 Ų118.186%0.85667%0.67SS**THydrogen-bonded Turntrans100.88.9165.500000118.5G118G118-G120 PolarHBondContact O-N 3.31Å
121A50.6Low53.4Low62 Ų62120.6 Ų120.651%0.51267%0.673SS.*PPolyproline II helixtrans-78.4144.8172.700000112
122P51.3Low53.7Low118 Ų118121.1 Ų121.177%0.76667%0.668SS**PPolyproline II helixtrans-57.1139.5171.1-18.329.5000110.8
123H55.6Low54Low128 Ų128117.1 Ų117.159%0.59367%0.665SS**PPolyproline II helixtrans-62.7136.9176.8-65.9-60000111.3D127H123-D127 WeakPolarHBondContact CA-OD2 3.35Å; H123-D127 IonicContact ND1-OD2 2.91Å
124T62.3Low54.6Low81 Ų81118.7 Ų118.750%0.49768%0.68SS.*PPolyproline II helixtrans-99.5159.5175.61.50000110.2Q126 D127T124-Q126 PolarHBondContact O-N 3.33Å; T124-D127 PolarHBondContact N-OD2 2.8Å; T124-D127 VanDerWaalsContact N-OD2 3.09Å; T124-D127 WeakPolarHBondContact O-CB 3.39Å; T124-D127 PolarHBondContact O-N 2.92Å
125E57.1Low55.7Low168 Ų168121.7 Ų121.779%0.78568%0.681SS**G310 helixtrans-56.1-24.4-177.8-65.2-171.3157.500114D127 L128E125-D127 VanDerWaalsContact C-N 3.29Å; E125-D127 PolarHBondContact O-N 3.16Å; E125-L128 PolarHBondContact O-N 3.42Å
126Q58.4Low56.4Low139 Ų139119.3 Ų119.365%0.6568%0.681SS**G310 helixtrans-69.9-21.1175.1-60.7103.822.100114T124 L128T124-Q126 PolarHBondContact O-N 3.33Å; Q126-L128 PolarHBondContact O-N 2.88Å
127D56Low57.2Low46 Ų46113.2 Ų113.225%0.24667%0.67CS.*G310 helixtrans-76.5-11.9177.8-64.6-33.7000113H123 T124 E125H123-D127 WeakPolarHBondContact CA-OD2 3.35Å; H123-D127 IonicContact ND1-OD2 2.91Å; T124-D127 PolarHBondContact N-OD2 2.8Å; T124-D127 VanDerWaalsContact N-OD2 3.09Å; T124-D127 WeakPolarHBondContact O-CB 3.39Å; T124-D127 PolarHBondContact O-N 2.92Å; E125-D127 VanDerWaalsContact C-N 3.29Å; E125-D127 PolarHBondContact O-N 3.16Å
128L57.1Low57.8Low129 Ų129112 Ų11268%0.67567%0.668SS**G310 helixtrans-92.7-2-179.1-59.5178.2000113E125 Q126E125-L128 PolarHBondContact O-N 3.42Å; Q126-L128 PolarHBondContact O-N 2.88Å
129L58.8Low58.8Low121 Ų121115.4 Ų115.463%0.63468%0.679SS**SBendtrans-64.5133.4178.2-69.6174.6000110.1F131L129-F131 PolarHBondContact O-N 3.03Å
130P55.9Low60Low121 Ų121107.6 Ų107.679%0.78666%0.664SS**PPolyproline II helixtrans-55.9126.7173.6-21.330.7000109.6
131F58.2Low61.4Low130 Ų130112 Ų11257%0.5766%0.66SS**PPolyproline II helixtrans-59.6134.5170.5-75.5-84.6000108.6L113 L129 A133L113-F131 HydrophobicContact CD2-CE1 3.96Å; L113-F131 HydrophobicContact CD2-CZ 3.96Å; L129-F131 PolarHBondContact O-N 3.03Å; F131-A133 PolarHBondContact O-N 2.98Å
132P60.3Low62.6Low112 Ų112117.7 Ų117.773%0.72767%0.668SS**PPolyproline II helixtrans-55.9140.9171.922.4-30000109.1
133A61.5Low63.9Low90 Ų90114.5 Ų114.574%0.74465%0.649SS**PPolyproline II helixtrans-55.3126.6177.600000108.6F131 D135F131-A133 PolarHBondContact O-N 2.98Å; A133-D135 PolarHBondContact O-N 3.14Å; A133-D135 VanDerWaalsContact O-N 3.14Å
134P61.8Low64.9Low127 Ų127113.4 Ų113.483%0.82565%0.651SS**PPolyproline II helixtrans-62.4121.5179.924.1-31.2000108.5G136P134-G136 PolarHBondContact O-N 3.38Å
135D69.9Low65.6Low132 Ų132115.4 Ų115.471%0.70666%0.658SS**  trans-72-4.3-179.260.52.9000113.3A133 V137A133-D135 PolarHBondContact O-N 3.14Å; A133-D135 VanDerWaalsContact O-N 3.14Å; D135-V137 HydrophobicContact CB-CG2 4.21Å; D135-V137 PolarHBondContact O-N 2.82Å; D135-V137 PolarHBondContact OD1-N 2.82Å
136G63Low66.8Low75 Ų75112 Ų11277%0.77364%0.642SS**  trans71.67.6-179.300000113.7P134 C138P134-G136 PolarHBondContact O-N 3.38Å; G136-C138 PolarHBondContact O-N 2.8Å
137V67.1Low67.7Low102 Ų102110.3 Ų110.362%0.61864%0.637SS**  trans-84.6110-179.2-177.20000108.5D135 P139D135-V137 HydrophobicContact CB-CG2 4.21Å; D135-V137 PolarHBondContact O-N 2.82Å; D135-V137 PolarHBondContact OD1-N 2.82Å; V137-P139 VanDerWaalsContact O-CD 3.31Å; V137-P139 WeakPolarHBondContact O-CD 3.13Å
138C63.1Low68.7Low68 Ų68111.2 Ų111.246%0.45964%0.644SS.*  trans-96.1105.8173.5177.50000108.5G136 S140 K141G136-C138 PolarHBondContact O-N 2.8Å; C138-S140 PolarHBondContact O-N 3.42Å; C138-S140 VanDerWaalsContact O-N 3.11Å; C138-S140 PolarHBondContact SG-OG 2.82Å; C138-K141 HydrophobicContact CB-CB 4.06Å; C138-K141 VanDerWaalsContact O-CB 3.24Å; C138-K141 WeakPolarHBondContact O-CB 3.47Å; C138-K141 PolarHBondContact O-N 3.16Å
139P68.3Low69.8Low133 Ų133113.6 Ų113.686%0.86464%0.644SS**THydrogen-bonded Turntrans-64.1-18.3-176.323.6-32.2000113V137V137-P139 VanDerWaalsContact O-CD 3.31Å; V137-P139 WeakPolarHBondContact O-CD 3.13Å
140S72.7Confident70.8Confident95 Ų95114.9 Ų114.966%0.66465%0.652SS**THydrogen-bonded Turntrans-97.910.5175.762.80000114C138 R142C138-S140 PolarHBondContact O-N 3.42Å; C138-S140 VanDerWaalsContact O-N 3.11Å; C138-S140 PolarHBondContact SG-OG 2.82Å; S140-R142 PolarHBondContact O-N 2.84Å; S140-R142 VanDerWaalsContact O-N 3.1Å
141K79.4Confident71.9Confident176 Ų176114.3 Ų114.377%0.76564%0.641SS**  trans-67.7109.8178.6-174.3-178.1179.2-1740109.7C138C138-K141 HydrophobicContact CB-CB 4.06Å; C138-K141 VanDerWaalsContact O-CB 3.24Å; C138-K141 WeakPolarHBondContact O-CB 3.47Å; C138-K141 PolarHBondContact O-N 3.16Å
142R76.6Confident72.8Confident181 Ų181112.9 Ų112.968%0.68365%0.645SS**  trans-80.5148.7171.5-65.3-176.1-175.11780.3110.6S140 E146 I147S140-R142 PolarHBondContact O-N 2.84Å; S140-R142 VanDerWaalsContact O-N 3.1Å; R142-E146 WeakPolarHBondContact CA-OE2 3.32Å; R142-E146 HydrophobicContact CB-CB 4.22Å; R142-E146 VanDerWaalsContact CB-OE2 3.3Å; R142-E146 WeakPolarHBondContact CB-OE2 3.38Å; R142-I147 HydrophobicContact CB-CD1 4.42Å; R142-I147 HydrophobicContact CB-CG1 4.1Å
143S78.3Confident73.5Confident51 Ų51113.8 Ų113.836%0.35765%0.651SS.*  trans-70.3157175.971.70000110.6D145 E146 I147S143-D145 PolarHBondContact O-N 3.13Å; S143-E146 PolarHBondContact N-OE2 3.17Å; S143-E146 VanDerWaalsContact N-OE2 3.14Å; S143-E146 WeakPolarHBondContact O-CB 3.5Å; S143-E146 PolarHBondContact O-N 3.21Å; S143-E146 VanDerWaalsContact O-N 3.09Å; S143-E146 VanDerWaalsContact OG-CG 3.28Å; S143-E146 WeakPolarHBondContact OG-CG 3.4Å; S143-E146 PolarHBondContact OG-N 2.58Å; S143-I147 VanDerWaalsContact O-CG1 3.32Å; S143-I147 WeakPolarHBondContact O-CG1 3.36Å; S143-I147 PolarHBondContact O-N 2.96Å; S143-I147 VanDerWaalsContact O-N 3.14Å
144V76.5Confident73.9Confident105 Ų105115.6 Ų115.664%0.63665%0.652SS**Hα-helixtrans-58.7-36.1178.7176.90000110.7E146 I147 T148V144-E146 VanDerWaalsContact C-N 3.34Å; V144-E146 PolarHBondContact O-N 2.83Å; V144-I147 PolarHBondContact O-N 3.36Å; V144-I147 VanDerWaalsContact O-N 3.14Å; V144-T148 HydrophobicContact CG1-CG2 4.2Å; V144-T148 WeakPolarHBondContact O-CG2 3.34Å; V144-T148 PolarHBondContact O-N 2.98Å; V144-T148 PolarHBondContact O-OG1 3.34Å
145D77.5Confident74.3Confident123 Ų123118.1 Ų118.166%0.65865%0.65SS**Hα-helixtrans-68.9-30.2178.4-54.4-39.7000113.1S143 I147 R149S143-D145 PolarHBondContact O-N 3.13Å; D145-I147 VanDerWaalsContact C-N 3.34Å; D145-R149 PolarHBondContact O-N 2.99Å
146E82.3Confident74Confident95 Ų95117.7 Ų117.744%0.44466%0.655SS.*Hα-helixtrans-72-31.2171.6-75.5169-179.200112R142 S143 V144R142-E146 WeakPolarHBondContact CA-OE2 3.32Å; R142-E146 HydrophobicContact CB-CB 4.22Å; R142-E146 VanDerWaalsContact CB-OE2 3.3Å; R142-E146 WeakPolarHBondContact CB-OE2 3.38Å; S143-E146 PolarHBondContact N-OE2 3.17Å; S143-E146 VanDerWaalsContact N-OE2 3.14Å; S143-E146 WeakPolarHBondContact O-CB 3.5Å; S143-E146 PolarHBondContact O-N 3.21Å; S143-E146 VanDerWaalsContact O-N 3.09Å; S143-E146 VanDerWaalsContact OG-CG 3.28Å; S143-E146 WeakPolarHBondContact OG-CG 3.4Å; S143-E146 PolarHBondContact OG-N 2.58Å; V144-E146 VanDerWaalsContact C-N 3.34Å; V144-E146 PolarHBondContact O-N 2.83Å
147I78.2Confident73.9Confident104 Ų104120.4 Ų120.453%0.53366%0.656SS.*Hα-helixtrans-78.4-35.7-178.9-63.3163000111.1R142 S143 V144 D145R142-I147 HydrophobicContact CB-CD1 4.42Å; R142-I147 HydrophobicContact CB-CG1 4.1Å; S143-I147 VanDerWaalsContact O-CG1 3.32Å; S143-I147 WeakPolarHBondContact O-CG1 3.36Å; S143-I147 PolarHBondContact O-N 2.96Å; S143-I147 VanDerWaalsContact O-N 3.14Å; V144-I147 PolarHBondContact O-N 3.36Å; V144-I147 VanDerWaalsContact O-N 3.14Å; D145-I147 VanDerWaalsContact C-N 3.34Å
148T76.8Confident73.7Confident65 Ų65122.7 Ų122.740%0.39967%0.665SS.*Hα-helixtrans-90.6-6.5-17556.10000114.2V144 D150 L151V144-T148 HydrophobicContact CG1-CG2 4.2Å; V144-T148 WeakPolarHBondContact O-CG2 3.34Å; V144-T148 PolarHBondContact O-N 2.98Å; V144-T148 PolarHBondContact O-OG1 3.34Å; T148-D150 VanDerWaalsContact C-N 3.26Å; T148-D150 PolarHBondContact O-N 2.81Å; T148-L151 HydrophobicContact CG2-CD1 4.17Å; T148-L151 PolarHBondContact O-N 2.81Å; T148-L151 VanDerWaalsContact O-N 3.13Å
149R79.8Confident73.4Confident179 Ų179126 Ų12668%0.67568%0.675SS**THydrogen-bonded Turntrans-55.6-37.2-176-170.2178.8-62.9164.83.1114.1D145D145-R149 PolarHBondContact O-N 2.99Å
150D80.4Confident73.1Confident149 Ų149128 Ų12880%0.79767%0.672SS**THydrogen-bonded Turntrans-99.54.4-175.4-58.9-31.4000112.8T148T148-D150 VanDerWaalsContact C-N 3.26Å; T148-D150 PolarHBondContact O-N 2.81Å
151L79Confident72.5Confident109 Ų109131.5 Ų131.557%0.57168%0.676SS**SBendtrans-82.4136.7178.8-65.1178.9000110.5T148T148-L151 HydrophobicContact CG2-CD1 4.17Å; T148-L151 PolarHBondContact O-N 2.81Å; T148-L151 VanDerWaalsContact O-N 3.13Å
152P76.6Confident71.5Confident99 Ų99127.5 Ų127.564%0.64368%0.676SS**  trans-62.5149174.326.3-32.9000110.4V154P152-V154 PolarHBondContact O-N 3Å
153P75.5Confident70.5Confident131 Ų131129 Ų12985%0.85169%0.687SS**  trans-56.5112.7-179.1-23.331.9000111.6K155P153-K155 PolarHBondContact O-N 3.36Å
154V69.6Low69.5Low128 Ų128130.6 Ų130.678%0.77670%0.704SS**  trans-78.9113.5176-176.20000108P152P152-V154 PolarHBondContact O-N 3Å
155K69.4Low68.5Low180 Ų180131.7 Ų131.778%0.78371%0.713SS**  trans-69.4124.1169.8-69.9-176.3-179.8179.10108.3P153 T157P153-K155 PolarHBondContact O-N 3.36Å; K155-T157 PolarHBondContact O-N 2.97Å
156P63Low67.4Low123 Ų123135.1 Ų135.180%0.79972%0.722SS**  trans-63.9110.3174.225.5-30.8000107.7L158P156-L158 PolarHBondContact O-N 3.21Å
157T61.2Low65.9Low132 Ų132135.2 Ų135.281%0.8174%0.739SS**  trans-80.1102.1172.9-50.50000106.1K155 M159K155-T157 PolarHBondContact O-N 2.97Å; T157-M159 PolarHBondContact O-N 2.99Å
158L62.9Low64.9Low151 Ų151138.1 Ų138.179%0.79176%0.755SS**  trans-70.399.3174.5-156.4162.2000107.1P156 E160P156-L158 PolarHBondContact O-N 3.21Å; L158-E160 HydrophobicContact CD2-CG 3.92Å; L158-E160 PolarHBondContact O-N 3.18Å
159M58.3Low63.6Low137 Ų137138.2 Ų138.268%0.67577%0.769SS**  trans-8096.4177.3-157.4169.4159.500107.2T157 F161T157-M159 PolarHBondContact O-N 2.99Å; M159-F161 HydrophobicContact CB-CE2 4.17Å; M159-F161 HydrophobicContact CE-CE1 4.02Å; M159-F161 HydrophobicContact CE-CZ 3.82Å; M159-F161 HydrophobicContact CG-CE2 4.18Å; M159-F161 HydrophobicContact CG-CZ 4.28Å; M159-F161 WeakPolarHBondContact O-CD2 3.37Å; M159-F161 PolarHBondContact O-N 3.01Å; M159-F161 HydrophobicContact SD-CE2 4.31Å; M159-F161 HydrophobicContact SD-CZ 3.97Å
160E60.3Low62.4Low174 Ų174141.6 Ų141.681%0.81378%0.782SS**  trans-66.9100.8172.9-88-170.3156.100109.4L158 A162L158-E160 HydrophobicContact CD2-CG 3.92Å; L158-E160 PolarHBondContact O-N 3.18Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3Å
161F60.4Low61.1Low169 Ų169140 Ų14074%0.74178%0.782SS**  trans-7585.2166.6-71.1-84.7000109M159 K163M159-F161 HydrophobicContact CB-CE2 4.17Å; M159-F161 HydrophobicContact CE-CE1 4.02Å; M159-F161 HydrophobicContact CE-CZ 3.82Å; M159-F161 HydrophobicContact CG-CE2 4.18Å; M159-F161 HydrophobicContact CG-CZ 4.28Å; M159-F161 WeakPolarHBondContact O-CD2 3.37Å; M159-F161 PolarHBondContact O-N 3.01Å; M159-F161 HydrophobicContact SD-CE2 4.31Å; M159-F161 HydrophobicContact SD-CZ 3.97Å; F161-K163 PolarHBondContact O-N 3.1Å; F161-K163 VanDerWaalsContact O-N 3.1Å
162A58.5Low59.5Low93 Ų93143 Ų14377%0.76980%0.796SS**  trans-62113.1164.600000108.6E160 A164E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3Å; A162-A164 PolarHBondContact O-N 2.97Å
163K57Low58.3Low211 Ų211144 Ų14492%0.91781%0.805SS**  trans-64.598.6169-102.2-179176176.10108.5F161F161-K163 PolarHBondContact O-N 3.1Å; F161-K163 VanDerWaalsContact O-N 3.1Å
164A55.6Low57.4Low86 Ų86146.7 Ų146.771%0.71181%0.806SS**  trans-66.6136.5165.700000109.7A162 K166A162-A164 PolarHBondContact O-N 2.97Å; A164-K166 PolarHBondContact O-N 3.39Å
165P55.3Low56.6Low127 Ų127149.9 Ų149.983%0.82581%0.813SS**  trans-61.7131.9175.8-19.531.2000111A167P165-A167 PolarHBondContact O-N 2.98Å
166K55.2Low55.9Low195 Ų195146.2 Ų146.285%0.84882%0.816SS**  trans-74.685.2-174.1-154175.1-167.9178.70110.4A164 L168A164-K166 PolarHBondContact O-N 3.39Å; K166-L168 PolarHBondContact O-N 2.94Å
167A50.6Low55Low97 Ų97149.5 Ų149.580%0.80282%0.821SS**  trans-82.1100.8165.600000109.2P165 G169P165-A167 PolarHBondContact O-N 2.98Å; A167-G169 VanDerWaalsContact C-N 3.28Å; A167-G169 PolarHBondContact O-N 3.35Å
168L57.8Low54.4Low165 Ų165155.4 Ų155.486%0.86483%0.828SS**  trans-68.483.2169.8-98.5143.2000109.6K166K166-L168 PolarHBondContact O-N 2.94Å
169G48.4Very low53.6Low68 Ų68155.8 Ų155.870%0.70187%0.869SS**  trans-100.5110.5168.800000110.2A167 S171A167-G169 VanDerWaalsContact C-N 3.28Å; A167-G169 PolarHBondContact O-N 3.35Å; G169-S171 PolarHBondContact O-N 3.25Å
170R54.8Low53.3Low250 Ų250156.7 Ų156.794%0.94388%0.878SS**  trans-62116.3170.8-68.8176.7169.5-140.5-1.8108.9
171S54.3Low52.9Low114 Ų114155.8 Ų155.880%0.79788%0.882SS**  trans-107.4112.3165.1-170.50000108.7G169G169-S171 PolarHBondContact O-N 3.25Å
172M45.2Very low52.5Low173 Ų173155.1 Ų155.185%0.85289%0.89SS**  trans-84.1118.4172.8-73-92.6-67.600108Q174M172-Q174 PolarHBondContact O-N 3.42Å
173S51.8Low52.2Low121 Ų121158.7 Ų158.785%0.84690%0.897SS**  trans-81108.6170.9-210000108.9
174Q55.2Low51.9Low187 Ų187155.4 Ų155.487%0.87490%0.895SS**  trans-90.9102.7161.2-87-174.8-15.900107.8M172M172-Q174 PolarHBondContact O-N 3.42Å
175E53.3Low51.6Low194 Ų194160.1 Ų160.191%0.90791%0.908SS**  trans-16889.5157.8-117.1167.5-178.800110.6
176A54.5Low51.4Low104 Ų104162.4 Ų162.486%0.8691%0.914SS**  trans-156.268.2157.400000109
177Q45.3Very low51.1Low191 Ų191159.9 Ų159.989%0.89392%0.919SS**  trans-151.696.3162.9-122.8177.2-28.100109
178R48.4Very low51.1Low256 Ų256165.2 Ų165.297%0.96693%0.928SS**  trans-170.7120.2153.7-108.3171.7-169.3-107.12.2109.8
179G44.4Very low50.5Low159 Ų159165.2 Ų165.2100%1.63993%0.934SS**  trans99.40161.700000114.1

Retrieved 179 of 179 residues in 108.9 ms (Link to these results)

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