A0A077ZMX1_TRITR Loading...

Zinc knuckle protein

AlphaFold DB , UniProt , Accession A0A077ZMX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M68.4Low78.5Confident155 Ų15591.6 Ų91.676%0.76443%0.425SS*.  0124.60-175.7166.9-13000106.6K3 K7M1-K3 PolarHBondContact O-N 2.79Å; M1-K7 HydrophobicContact CE-CD 3.45Å; M1-K7 VanDerWaalsContact CE-CD 3.45Å; M1-K7 HydrophobicContact CE-CG 4.05Å; M1-K7 VanDerWaalsContact CE-NZ 3.26Å; M1-K7 HydrophobicContact SD-CD 4.19Å; M1-K7 WeakPolarHBondContact SD-CE 3.18Å; M1-K7 PolarHBondContact SD-NZ 3.47Å
2W80.6Confident79.2Confident54 Ų5488.8 Ų88.821%0.20542%0.415CS..  trans-77.5114-170-55.4-63.8000111.1H4 L5 P46 L57 T61W2-H4 VanDerWaalsContact C-N 3.29Å; W2-H4 PolarHBondContact O-N 2.7Å; W2-L5 HydrophobicContact CB-CD1 3.84Å; W2-L5 HydrophobicContact CB-CG 4.31Å; W2-L5 HydrophobicContact CD2-CD1 4.43Å; W2-L5 HydrophobicContact CE3-CD1 4.11Å; W2-L5 HydrophobicContact CG-CD1 4.35Å; W2-L5 PolarHBondContact O-N 2.75Å; W2-P46 VanDerWaalsContact CD1-CD 3.45Å; W2-P46 HydrophobicContact CD2-CG 3.23Å; W2-P46 HydrophobicContact CE3-CG 3.37Å; W2-P46 HydrophobicContact CG-CG 3.84Å; W2-P46 HydrophobicContact CH2-CG 3.72Å; W2-P46 HydrophobicContact CZ2-CG 3.62Å; W2-P46 HydrophobicContact CZ3-CG 3.6Å; W2-L57 HydrophobicContact CZ3-CD1 4.45Å; W2-T61 HydrophobicContact CH2-CG2 3.84Å; W2-T61 HydrophobicContact CZ2-CG2 3.95Å; W2-T61 WeakPolarHBondContact CZ2-O 3.47Å; W2-T61 PolarHBondContact NE1-O 3.49Å
3K80.8Confident79.6Confident195 Ų19595.2 Ų95.285%0.84845%0.445SS*.THydrogen-bonded Turntrans-71.2-20.6-169.4-65.7-175.4179.7-179.10113.9M1 L5M1-K3 PolarHBondContact O-N 2.79Å; K3-L5 VanDerWaalsContact C-N 3.32Å
4H82.4Confident79.5Confident37 Ų3797 Ų9717%0.17145%0.451CS..THydrogen-bonded Turntrans-83.5-6.5-179.763.4-68.3000113.8W2 K41 E45 P46W2-H4 VanDerWaalsContact C-N 3.29Å; W2-H4 PolarHBondContact O-N 2.7Å; H4-K41 HydrophobicContact CB-CB 4.28Å; H4-K41 HydrophobicContact CB-CD 4.46Å; H4-E45 IonicContact CE1-OE2 3.54Å; H4-E45 IonicContact ND1-OE2 3.65Å; H4-P46 PolarHBondContact NE2-O 3.46Å
5L82.6Confident79.6Confident16 Ų1699.5 Ų99.58%0.08448%0.479CS..SBendtrans-108.7118.3-175.3-59.2171.3000109.4W2 K3 K7 R39 P46 L55 L57W2-L5 HydrophobicContact CB-CD1 3.84Å; W2-L5 HydrophobicContact CB-CG 4.31Å; W2-L5 HydrophobicContact CD2-CD1 4.43Å; W2-L5 HydrophobicContact CE3-CD1 4.11Å; W2-L5 HydrophobicContact CG-CD1 4.35Å; W2-L5 PolarHBondContact O-N 2.75Å; K3-L5 VanDerWaalsContact C-N 3.32Å; L5-K7 PolarHBondContact O-N 2.76Å; L5-R39 HydrophobicContact CD2-CB 4.05Å; L5-P46 HydrophobicContact CD1-CG 3.94Å; L5-L55 HydrophobicContact CB-CD2 4.4Å; L5-L55 HydrophobicContact CD2-CD2 3.72Å; L5-L57 HydrophobicContact CD1-CD2 3.57Å; L5-L57 HydrophobicContact CD2-CD2 4.4Å; L5-L57 HydrophobicContact CG-CD2 4.45Å
6P76.1Confident79.4Confident47 Ų47100.1 Ų100.131%0.30548%0.475SS..  trans-66126.7175.726-32.3000109.8Y8 N9 R39 L55P6-Y8 VanDerWaalsContact C-N 3.26Å; P6-Y8 PolarHBondContact O-N 3.35Å; P6-N9 HydrophobicContact CG-CB 4.47Å; P6-R39 VanDerWaalsContact CG-NH1 3.28Å; P6-L55 HydrophobicContact CG-CD2 4.27Å
7K69.7Low79.8Confident126 Ų12698.1 Ų98.155%0.54849%0.486SS..G310 helixtrans-66.2-28.8-179-58.2-176.6-162.2-174.10113.4M1 L5M1-K7 HydrophobicContact CE-CD 3.45Å; M1-K7 VanDerWaalsContact CE-CD 3.45Å; M1-K7 HydrophobicContact CE-CG 4.05Å; M1-K7 VanDerWaalsContact CE-NZ 3.26Å; M1-K7 HydrophobicContact SD-CD 4.19Å; M1-K7 WeakPolarHBondContact SD-CE 3.18Å; M1-K7 PolarHBondContact SD-NZ 3.47Å; L5-K7 PolarHBondContact O-N 2.76Å
8Y67.5Low80.2Confident225 Ų225102.6 Ų102.688%0.88251%0.51SS*.G310 helixtrans-88.6-3.6-168.8-55.8-74000114P6P6-Y8 VanDerWaalsContact C-N 3.26Å; P6-Y8 PolarHBondContact O-N 3.35Å
9N79.4Confident80.5Confident78 Ų78105.1 Ų105.142%0.41752%0.518SS..G310 helixtrans-130.332.2-175.5-162.419.6000111.7P6 L55P6-N9 HydrophobicContact CG-CB 4.47Å; N9-L55 WeakPolarHBondContact O-CA 3.44Å; N9-L55 WeakPolarHBondContact O-CB 3.25Å; N9-L55 PolarHBondContact O-N 3.15Å
10L88.2Confident81Confident44 Ų44108.7 Ų108.723%0.2353%0.533CS..BIsolated β-bridgetrans-78.1145.4169.9-61.3-177.4000108.9D12 F14 L55 L57L10-D12 VanDerWaalsContact CB-O 3.26Å; L10-D12 WeakPolarHBondContact CB-O 3.19Å; L10-D12 PolarHBondContact O-N 3.11Å; L10-D12 VanDerWaalsContact O-N 3.11Å; L10-F14 HydrophobicContact CD1-CD2 4.18Å; L10-L55 WeakPolarHBondContact CA-O 3.39Å; L10-L55 HydrophobicContact CD2-CB 4.2Å; L10-L55 HydrophobicContact CD2-CD2 4.06Å; L10-L57 HydrophobicContact CD1-CD1 4Å; L10-L57 HydrophobicContact CD2-CD1 4.09Å; L10-L57 HydrophobicContact CD2-CD2 3.84Å; L10-L57 HydrophobicContact CD2-CG 3.92Å
11S88.2Confident81.3Confident31 Ų31109.2 Ų109.222%0.21754%0.542CS..SBendtrans-59.1-24.8174.5-50.90000112.5F53 G54 L55 I56S11-F53 VanDerWaalsContact CA-O 3.29Å; S11-F53 WeakPolarHBondContact CA-O 3.49Å; S11-G54 PolarHBondContact OG-O 2.84Å; S11-G54 VanDerWaalsContact OG-O 3.14Å; S11-L55 PolarHBondContact N-O 3.07Å; S11-L55 PolarHBondContact OG-N 2.98Å; S11-L55 PolarHBondContact OG-O 3.24Å; S11-I56 WeakPolarHBondContact OG-CG1 3.03Å; S11-I56 PolarHBondContact OG-N 3.35Å
12D86.4Confident82.3Confident57 Ų57109.3 Ų109.331%0.30555%0.546SS..SBendtrans-133.4139-174.9-68.6-26.3000110.8L10 F14 R16L10-D12 VanDerWaalsContact CB-O 3.26Å; L10-D12 WeakPolarHBondContact CB-O 3.19Å; L10-D12 PolarHBondContact O-N 3.11Å; L10-D12 VanDerWaalsContact O-N 3.11Å; D12-F14 HydrophobicContact CB-CD2 4.23Å; D12-F14 HydrophobicContact CB-CE1 4.29Å; D12-F14 HydrophobicContact CB-CE2 3.47Å; D12-F14 VanDerWaalsContact CB-CE2 3.47Å; D12-F14 HydrophobicContact CB-CZ 3.5Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.35Å; D12-R16 VanDerWaalsContact CA-NH1 3.33Å; D12-R16 VanDerWaalsContact CB-CZ 3.46Å; D12-R16 IonicContact OD1-CZ 3.73Å; D12-R16 IonicContact OD1-NH1 2.86Å; D12-R16 PolarHBondContact OD1-NH1 3.38Å; D12-R16 IonicContact OD1-NH2 3.53Å; D12-R16 PolarHBondContact OD1-NH2 3.34Å; D12-R16 IonicContact OD2-CZ 2.59Å; D12-R16 IonicContact OD2-NH1 2.84Å; D12-R16 IonicContact OD2-NH2 3.11Å; D12-R16 PolarHBondContact OD2-NH2 3.4Å
13Q84Confident82.6Confident172 Ų172111.1 Ų111.180%0.80456%0.563SS**  trans-84.3112.2173.5-65-176.928.500110.3R16Q13-R16 WeakPolarHBondContact O-CD 3.37Å; Q13-R16 WeakPolarHBondContact O-CG 3.48Å
14F78.7Confident83.1Confident121 Ų121109.6 Ų109.653%0.53156%0.563SS.*SBendtrans-99.9147.9178.4-63.6-80.8000112.7L10 D12 L57L10-F14 HydrophobicContact CD1-CD2 4.18Å; D12-F14 HydrophobicContact CB-CD2 4.23Å; D12-F14 HydrophobicContact CB-CE1 4.29Å; D12-F14 HydrophobicContact CB-CE2 3.47Å; D12-F14 VanDerWaalsContact CB-CE2 3.47Å; D12-F14 HydrophobicContact CB-CZ 3.5Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.35Å; F14-L57 HydrophobicContact CD2-CD1 4.45Å; F14-L57 HydrophobicContact CE2-CD1 4.27Å
15P80.9Confident83.4Confident134 Ų134110.9 Ų110.987%0.8757%0.571SS**SBendcis-74.8143.3-2.331.4-34.3000112.3
16R76.7Confident83.8Confident110 Ų110111.9 Ų111.942%0.41559%0.585SS.*  trans-105140168.2-62.4-147.6-61.7-133.4-6.1110.2D12 Q13 K19D12-R16 VanDerWaalsContact CA-NH1 3.33Å; D12-R16 VanDerWaalsContact CB-CZ 3.46Å; D12-R16 IonicContact OD1-CZ 3.73Å; D12-R16 IonicContact OD1-NH1 2.86Å; D12-R16 PolarHBondContact OD1-NH1 3.38Å; D12-R16 IonicContact OD1-NH2 3.53Å; D12-R16 PolarHBondContact OD1-NH2 3.34Å; D12-R16 IonicContact OD2-CZ 2.59Å; D12-R16 IonicContact OD2-NH1 2.84Å; D12-R16 IonicContact OD2-NH2 3.11Å; D12-R16 PolarHBondContact OD2-NH2 3.4Å; Q13-R16 WeakPolarHBondContact O-CD 3.37Å; Q13-R16 WeakPolarHBondContact O-CG 3.48Å; R16-K19 HydrophobicContact CB-CG 4.42Å
17G87Confident84.4Confident65 Ų65113.7 Ų113.767%0.6760%0.604SS**  trans-66.3-168.4162.700000111.2K19G17-K19 PolarHBondContact O-N 3.46Å
18I85.5Confident85.5Confident179 Ų179114.8 Ų114.892%0.91862%0.615SS**SBendtrans-60.6131.9172-58172.9000108.4
19K85.9Confident86.8Confident150 Ų150111.1 Ų111.165%0.65260%0.601SS**  trans-134.3145.4179-71.9-66.8-173.2174.70109.1R16 G17R16-K19 HydrophobicContact CB-CG 4.42Å; G17-K19 PolarHBondContact O-N 3.46Å
20E90.3Very high87.3Confident177 Ų177112.3 Ų112.383%0.82760%0.601SS**  trans-74.6157.4169.8-65.4-176.4167.500109.8D22E20-D22 PolarHBondContact O-N 2.92Å
21V88.1Confident87.6Confident120 Ų120119.2 Ų119.273%0.72762%0.624SS**  trans-81.9114.8176.8175.50000108.3V23V21-V23 WeakPolarHBondContact CG1-O 3.01Å
22D88.8Confident87.9Confident158 Ų158123.1 Ų123.185%0.84564%0.642SS**SBendtrans-78.1-37.9178.1-58.1-64.8000112.3E20E20-D22 PolarHBondContact O-N 2.92Å
23V87.6Confident88.2Confident91 Ų91123 Ų12355%0.55264%0.639SS**  trans-141.5131.3-175.4-176.40000110V21 I25V21-V23 WeakPolarHBondContact CG1-O 3.01Å; V23-I25 HydrophobicContact CG1-CG1 3.9Å
24L90.8Very high88.7Confident163 Ų163116 Ų11685%0.85361%0.607SS**  trans-109.1121.6168.4-17567.3000108.9
25I88.9Confident89.3Confident64 Ų64111.6 Ų111.633%0.32860%0.595SS.*  trans-104.9123.9-177.5-54.7171.6000108.2V23 F33 F53V23-I25 HydrophobicContact CG1-CG1 3.9Å; I25-F33 HydrophobicContact CD1-CD1 3.91Å; I25-F33 HydrophobicContact CD1-CD2 4.45Å; I25-F33 HydrophobicContact CD1-CE1 4.26Å; I25-F33 HydrophobicContact CD1-CG 4.04Å; I25-F33 HydrophobicContact CG2-CD2 3.98Å; I25-F33 HydrophobicContact CG2-CE2 4.07Å; I25-F53 HydrophobicContact CD1-CE2 3.78Å
26G90.5Very high89.7Confident37 Ų37113.4 Ų113.438%0.38160%0.598SS.*  trans-66.2151173.700000111.6D28 Y29 Y30G26-D28 PolarHBondContact O-N 2.85Å; G26-Y29 PolarHBondContact O-N 2.9Å; G26-Y29 VanDerWaalsContact O-N 3.09Å; G26-Y30 PolarHBondContact O-N 2.84Å
27A90.1Very high90.4Very high85 Ų85111.5 Ų111.570%0.70259%0.594SS**G310 helixtrans-59.3-34.1179.600000112.5Y29 Y30A27-Y29 PolarHBondContact O-N 2.8Å; A27-Y30 WeakPolarHBondContact O-CB 3.11Å; A27-Y30 PolarHBondContact O-N 2.7Å
28D93.2Very high90.7Very high149 Ų149112.6 Ų112.680%0.79759%0.587SS**G310 helixtrans-64-27179-52.9-53000113G26G26-D28 PolarHBondContact O-N 2.85Å
29Y93.3Very high90.9Very high148 Ų148107 Ų10758%0.5856%0.555SS**G310 helixtrans-97.8-2.8177.3-60.9-79.6000112.3G26 A27 W31 D32 F33G26-Y29 PolarHBondContact O-N 2.9Å; G26-Y29 VanDerWaalsContact O-N 3.09Å; A27-Y29 PolarHBondContact O-N 2.8Å; Y29-W31 PolarHBondContact O-N 2.92Å; Y29-W31 VanDerWaalsContact O-N 3.15Å; Y29-D32 WeakPolarHBondContact CD1-OD2 3.14Å; Y29-D32 WeakPolarHBondContact O-CB 2.94Å; Y29-D32 PolarHBondContact O-N 3.31Å; Y29-F33 VanDerWaalsContact O-CD2 3.25Å; Y29-F33 WeakPolarHBondContact O-CD2 3.26Å
30Y91.3Very high91.1Very high104 Ų104108.2 Ų108.241%0.40856%0.555SS.*Hα-helixtrans-52-46.2-172.5176.6-103.8000112G26 A27 D32 F33 I34G26-Y30 PolarHBondContact O-N 2.84Å; A27-Y30 WeakPolarHBondContact O-CB 3.11Å; A27-Y30 PolarHBondContact O-N 2.7Å; Y30-D32 VanDerWaalsContact C-N 3.27Å; Y30-D32 PolarHBondContact O-N 3.35Å; Y30-F33 PolarHBondContact O-N 3.11Å; Y30-I34 HydrophobicContact CD1-CG1 4.1Å; Y30-I34 HydrophobicContact CD2-CG1 4.29Å; Y30-I34 HydrophobicContact CE1-CD1 4.49Å; Y30-I34 HydrophobicContact CE1-CG1 3.69Å; Y30-I34 HydrophobicContact CE2-CD1 3.99Å; Y30-I34 HydrophobicContact CE2-CG1 3.88Å; Y30-I34 HydrophobicContact CG-CG1 4.39Å; Y30-I34 WeakPolarHBondContact O-CG1 3.29Å; Y30-I34 PolarHBondContact O-N 3.04Å
31W93.9Very high91Very high188 Ų188106.5 Ų106.571%0.71255%0.545SS*.Hα-helixtrans-72.5-16.6-177-64111.6000114.4Y29 F33 I34Y29-W31 PolarHBondContact O-N 2.92Å; Y29-W31 VanDerWaalsContact O-N 3.15Å; W31-F33 PolarHBondContact O-N 3.47Å; W31-I34 HydrophobicContact CE3-CB 4.17Å; W31-I34 HydrophobicContact CE3-CG2 4.17Å; W31-I34 HydrophobicContact CZ3-CB 4.49Å; W31-I34 HydrophobicContact CZ3-CG2 4.04Å
32D94.6Very high90.8Very high114 Ų114102.3 Ų102.361%0.6152%0.523SS*.Hα-helixtrans-72.2-20.6174.9-60.7-25000112Y29 Y30Y29-D32 WeakPolarHBondContact CD1-OD2 3.14Å; Y29-D32 WeakPolarHBondContact O-CB 2.94Å; Y29-D32 PolarHBondContact O-N 3.31Å; Y30-D32 VanDerWaalsContact C-N 3.27Å; Y30-D32 PolarHBondContact O-N 3.35Å
33F92.7Very high90.5Very high55 Ų5597.6 Ų97.624%0.24151%0.506CS..Hα-helixtrans-103.9-17.6-177.1-68.9-104000112.9I25 Y29 Y30 W31 S51 I52 F53I25-F33 HydrophobicContact CD1-CD1 3.91Å; I25-F33 HydrophobicContact CD1-CD2 4.45Å; I25-F33 HydrophobicContact CD1-CE1 4.26Å; I25-F33 HydrophobicContact CD1-CG 4.04Å; I25-F33 HydrophobicContact CG2-CD2 3.98Å; I25-F33 HydrophobicContact CG2-CE2 4.07Å; Y29-F33 VanDerWaalsContact O-CD2 3.25Å; Y29-F33 WeakPolarHBondContact O-CD2 3.26Å; Y30-F33 PolarHBondContact O-N 3.11Å; W31-F33 PolarHBondContact O-N 3.47Å; F33-S51 CarbonylContact O-C 3.46Å; F33-S51 WeakPolarHBondContact O-CA 3.46Å; F33-S51 VanDerWaalsContact O-CB 3.23Å; F33-S51 WeakPolarHBondContact O-CB 3.35Å; F33-I52 HydrophobicContact CB-CG1 4.31Å; F33-I52 HydrophobicContact CD1-CD1 3.15Å; F33-I52 HydrophobicContact CD1-CG1 3.59Å; F33-I52 HydrophobicContact CE1-CD1 3.47Å; F33-I52 VanDerWaalsContact CE1-CD1 3.47Å; F33-I52 HydrophobicContact CE1-CG1 4.38Å; F33-I52 HydrophobicContact CG-CD1 4.14Å; F33-I52 HydrophobicContact CG-CG1 4.36Å; F33-I52 PolarHBondContact O-N 3.42Å; F33-F53 HydrophobicContact CD1-CD2 4.46Å; F33-F53 AromaticContact CD1-CE2 3.47Å; F33-F53 HydrophobicContact CD1-CE2 3.47Å; F33-F53 VanDerWaalsContact CD1-CE2 3.47Å; F33-F53 AromaticContact CD1-CZ 3.81Å; F33-F53 HydrophobicContact CD1-CZ 3.81Å; F33-F53 AromaticContact CE1-CE2 4Å; F33-F53 HydrophobicContact CE1-CE2 4Å; F33-F53 AromaticContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CG-CE2 4.46Å
34I93.5Very high90.5Very high24 Ų2497.6 Ų97.612%0.12350%0.503CS..EExtended strand (participates in β ladder)trans-91.7132.5-178.1-63-57.2000109.8Y30 W31 V49 I56Y30-I34 HydrophobicContact CD1-CG1 4.1Å; Y30-I34 HydrophobicContact CD2-CG1 4.29Å; Y30-I34 HydrophobicContact CE1-CD1 4.49Å; Y30-I34 HydrophobicContact CE1-CG1 3.69Å; Y30-I34 HydrophobicContact CE2-CD1 3.99Å; Y30-I34 HydrophobicContact CE2-CG1 3.88Å; Y30-I34 HydrophobicContact CG-CG1 4.39Å; Y30-I34 WeakPolarHBondContact O-CG1 3.29Å; Y30-I34 PolarHBondContact O-N 3.04Å; W31-I34 HydrophobicContact CE3-CB 4.17Å; W31-I34 HydrophobicContact CE3-CG2 4.17Å; W31-I34 HydrophobicContact CZ3-CB 4.49Å; W31-I34 HydrophobicContact CZ3-CG2 4.04Å; I34-V49 HydrophobicContact CD1-CG1 4.01Å; I34-V49 HydrophobicContact CG2-CG1 3.58Å; I34-I56 HydrophobicContact CD1-CD1 3.84Å
35G90.8Very high90.4Very high28 Ų2892 Ų9229%0.28947%0.472SS..EExtended strand (participates in β ladder)trans-90.4173.117300000112.6E37 Q50G35-E37 VanDerWaalsContact C-N 3.29Å; G35-E37 PolarHBondContact O-N 3.23Å; G35-Q50 PolarHBondContact N-O 3.03Å
36D90.6Very high90.4Very high172 Ų17289.1 Ų89.192%0.9246%0.458SS*.EExtended strand (participates in β ladder)trans-74.3-16.7-175-60.5-36000114V38D36-V38 PolarHBondContact O-N 3.47Å
37E91.5Very high90.5Very high71 Ų7188.6 Ų88.633%0.33245%0.447SS..EExtended strand (participates in β ladder)trans-83.2119.3-175.4-167-175.6-17700112.3G35 R39 Q50G35-E37 VanDerWaalsContact C-N 3.29Å; G35-E37 PolarHBondContact O-N 3.23Å; E37-R39 VanDerWaalsContact CD-CZ 3.47Å; E37-R39 HydrophobicContact CG-CG 4.36Å; E37-R39 IonicContact OE1-CZ 2.99Å; E37-R39 IonicContact OE1-NE 2.75Å; E37-R39 PolarHBondContact OE1-NE 3.49Å; E37-R39 IonicContact OE1-NH2 2.7Å; E37-R39 PolarHBondContact OE1-NH2 2.75Å; E37-R39 IonicContact OE2-CZ 3.38Å; E37-R39 IonicContact OE2-NE 3.88Å; E37-R39 IonicContact OE2-NH1 3.99Å; E37-R39 IonicContact OE2-NH2 2.79Å; E37-R39 PolarHBondContact OE2-NH2 3.14Å; E37-Q50 HydrophobicContact CB-CB 3.91Å; E37-Q50 VanDerWaalsContact CB-OE1 3.25Å; E37-Q50 WeakPolarHBondContact O-CB 3.09Å; E37-Q50 PolarHBondContact O-N 2.9Å; E37-Q50 PolarHBondContact OE2-OE1 3.15Å
38V92Very high90.6Very high88 Ų8884.6 Ų84.653%0.53341%0.414SS..EExtended strand (participates in β ladder)trans-119118.5171.5-178.70000110.2D36 V47 G48D36-V38 PolarHBondContact O-N 3.47Å; V38-V47 HydrophobicContact CG1-CG1 3.42Å; V38-V47 VanDerWaalsContact CG1-CG1 3.42Å; V38-G48 CarbonylContact C-O 3.56Å
39R90.8Very high90.6Very high62 Ų6278.1 Ų78.123%0.23438%0.38CS..EExtended strand (participates in β ladder)trans-100.4104.3177.3-63.3-170-179.11181.3110.6L5 P6 E37 V47 G48L5-R39 HydrophobicContact CD2-CB 4.05Å; P6-R39 VanDerWaalsContact CG-NH1 3.28Å; E37-R39 VanDerWaalsContact CD-CZ 3.47Å; E37-R39 HydrophobicContact CG-CG 4.36Å; E37-R39 IonicContact OE1-CZ 2.99Å; E37-R39 IonicContact OE1-NE 2.75Å; E37-R39 PolarHBondContact OE1-NE 3.49Å; E37-R39 IonicContact OE1-NH2 2.7Å; E37-R39 PolarHBondContact OE1-NH2 2.75Å; E37-R39 IonicContact OE2-CZ 3.38Å; E37-R39 IonicContact OE2-NE 3.88Å; E37-R39 IonicContact OE2-NH1 3.99Å; E37-R39 IonicContact OE2-NH2 2.79Å; E37-R39 PolarHBondContact OE2-NH2 3.14Å; R39-V47 WeakPolarHBondContact O-CA 3.41Å; R39-G48 PolarHBondContact N-O 3.04Å; R39-G48 PolarHBondContact O-N 2.79Å
40R90.4Very high90.7Very high174 Ų17474.6 Ų74.666%0.65737%0.368SS*.  trans-127.1143.8175.5179.1173.7174.3-179-4.1109.9V47R40-V47 HydrophobicContact CB-CG1 4.35Å; R40-V47 HydrophobicContact CB-CG2 4.13Å; R40-V47 HydrophobicContact CG-CG2 3.99Å
41K87.6Confident90.8Very high141 Ų14170.1 Ų70.161%0.61335%0.353SS*.  trans-126.6-80.4176.6-172.8-178.2-178.6-174.80111.9H4 E45H4-K41 HydrophobicContact CB-CB 4.28Å; H4-K41 HydrophobicContact CB-CD 4.46Å; K41-E45 WeakPolarHBondContact CB-OE2 3.45Å
42A84.6Confident90.7Very high33 Ų3366.7 Ų66.727%0.27335%0.347SS..  trans-97.8159.3177.400000111.8D44 E45A42-D44 WeakPolarHBondContact CB-OD1 3.45Å; A42-D44 PolarHBondContact O-N 3.44Å; A42-E45 HydrophobicContact CB-CB 4.32Å; A42-E45 HydrophobicContact CB-CG 3.96Å; A42-E45 PolarHBondContact O-N 2.84Å
43A82.9Confident90.5Very high59 Ų5966.1 Ų66.149%0.48834%0.339SS..THydrogen-bonded Turntrans-66.2-26.817900000112.3K60A43-K60 WeakPolarHBondContact O-CD 3.47Å; A43-K60 WeakPolarHBondContact O-CE 3.4Å; A43-K60 WeakPolarHBondContact O-CG 3.45Å; A43-K60 PolarHBondContact O-NZ 2.59Å
44D87.2Confident90.5Very high91 Ų9164 Ų6449%0.48733%0.332SS..THydrogen-bonded Turntrans-94.28.4179.468.9-29.4000113.9A42 T61 G62A42-D44 WeakPolarHBondContact CB-OD1 3.45Å; A42-D44 PolarHBondContact O-N 3.44Å; D44-T61 CarbonylContact O-C 3.6Å; D44-T61 VanDerWaalsContact O-C 3.26Å; D44-G62 WeakPolarHBondContact O-CA 3.38Å; D44-G62 PolarHBondContact O-N 2.67Å
45E87.5Confident90.4Very high46 Ų4663 Ų6322%0.21533%0.327CS..SBendtrans-112.2151.6177-69.3-175.7148.200110.9H4 K41 A42 K60H4-E45 IonicContact CE1-OE2 3.54Å; H4-E45 IonicContact ND1-OE2 3.65Å; K41-E45 WeakPolarHBondContact CB-OE2 3.45Å; A42-E45 HydrophobicContact CB-CB 4.32Å; A42-E45 HydrophobicContact CB-CG 3.96Å; A42-E45 PolarHBondContact O-N 2.84Å; E45-K60 CarbonylContact C-O 3.26Å
46P90.1Very high90.5Very high3 Ų364.5 Ų64.52%0.01933%0.328CS..PPolyproline II helixtrans-70.4151.1-179.828.2-30.9000109.8W2 H4 L5 C58 K60W2-P46 VanDerWaalsContact CD1-CD 3.45Å; W2-P46 HydrophobicContact CD2-CG 3.23Å; W2-P46 HydrophobicContact CE3-CG 3.37Å; W2-P46 HydrophobicContact CG-CG 3.84Å; W2-P46 HydrophobicContact CH2-CG 3.72Å; W2-P46 HydrophobicContact CZ2-CG 3.62Å; W2-P46 HydrophobicContact CZ3-CG 3.6Å; H4-P46 PolarHBondContact NE2-O 3.46Å; L5-P46 HydrophobicContact CD1-CG 3.94Å; P46-C58 CarbonylContact C-O 2.98Å; P46-C58 WeakPolarHBondContact CA-O 3.45Å; P46-C58 WeakPolarHBondContact CB-O 3.2Å; P46-K60 VanDerWaalsContact CA-O 3.28Å; P46-K60 WeakPolarHBondContact CA-O 3.49Å; P46-K60 WeakPolarHBondContact CD-O 3.48Å
47V91.8Very high90.4Very high26 Ų2659 Ų5916%0.15830%0.298CS..EExtended strand (participates in β ladder)trans-91.5132.5174.6-178.60000107.6V38 R39 R40 V49 C58V38-V47 HydrophobicContact CG1-CG1 3.42Å; V38-V47 VanDerWaalsContact CG1-CG1 3.42Å; R39-V47 WeakPolarHBondContact O-CA 3.41Å; R40-V47 HydrophobicContact CB-CG1 4.35Å; R40-V47 HydrophobicContact CB-CG2 4.13Å; R40-V47 HydrophobicContact CG-CG2 3.99Å; V47-V49 HydrophobicContact CG1-CG2 4.08Å; V47-C58 PolarHBondContact N-O 2.92Å; V47-C58 PolarHBondContact O-N 3.09Å
48G92.7Very high90.2Very high0 Ų058.2 Ų58.20%030%0.3CS..EExtended strand (participates in β ladder)trans-93122.9167.300000109V38 R39 I56V38-G48 CarbonylContact C-O 3.56Å; R39-G48 PolarHBondContact N-O 3.04Å; R39-G48 PolarHBondContact O-N 2.79Å; G48-I56 CarbonylContact C-O 3.57Å; G48-I56 WeakPolarHBondContact CA-O 3.23Å
49V93.8Very high90Very high14 Ų1457 Ų579%0.08531%0.305CS..EExtended strand (participates in β ladder)trans-111.1124175-178.90000107.8I34 V47 L55 I56I34-V49 HydrophobicContact CD1-CG1 4.01Å; I34-V49 HydrophobicContact CG2-CG1 3.58Å; V47-V49 HydrophobicContact CG1-CG2 4.08Å; V49-L55 CarbonylContact O-C 3.57Å; V49-L55 WeakPolarHBondContact O-CA 2.78Å; V49-I56 PolarHBondContact N-O 2.81Å; V49-I56 PolarHBondContact O-N 3.27Å
50Q94Very high89.8Confident73 Ų7360.1 Ų60.134%0.34132%0.321SS..EExtended strand (participates in β ladder)trans-68.4138.1176.8-174.6165.836.300109.8G35 E37G35-Q50 PolarHBondContact N-O 3.03Å; E37-Q50 HydrophobicContact CB-CB 3.91Å; E37-Q50 VanDerWaalsContact CB-OE1 3.25Å; E37-Q50 WeakPolarHBondContact O-CB 3.09Å; E37-Q50 PolarHBondContact O-N 2.9Å; E37-Q50 PolarHBondContact OE2-OE1 3.15Å
51S93.2Very high89.4Confident11 Ų1154.2 Ų54.28%0.07730%0.304CS..EExtended strand (participates in β ladder)trans-139.517117374.10000110.1F33 F53 G54 I56F33-S51 CarbonylContact O-C 3.46Å; F33-S51 WeakPolarHBondContact O-CA 3.46Å; F33-S51 VanDerWaalsContact O-CB 3.23Å; F33-S51 WeakPolarHBondContact O-CB 3.35Å; S51-F53 PolarHBondContact O-N 3.39Å; S51-F53 VanDerWaalsContact O-N 3.15Å; S51-F53 PolarHBondContact OG-N 3.25Å; S51-G54 WeakPolarHBondContact CA-O 3.35Å; S51-G54 WeakPolarHBondContact CB-O 3.35Å; S51-G54 PolarHBondContact N-O 3.17Å; S51-G54 PolarHBondContact O-N 3.49Å; S51-G54 PolarHBondContact OG-N 2.86Å; S51-G54 PolarHBondContact OG-O 2.9Å; S51-I56 WeakPolarHBondContact OG-CG1 3.28Å
52I92.9Very high89Confident115 Ų11550 Ų5059%0.5930%0.301SS*.THydrogen-bonded Turntrans-60.2-22.3173.669.2165.1000113.1F33F33-I52 HydrophobicContact CB-CG1 4.31Å; F33-I52 HydrophobicContact CD1-CD1 3.15Å; F33-I52 HydrophobicContact CD1-CG1 3.59Å; F33-I52 HydrophobicContact CE1-CD1 3.47Å; F33-I52 VanDerWaalsContact CE1-CD1 3.47Å; F33-I52 HydrophobicContact CE1-CG1 4.38Å; F33-I52 HydrophobicContact CG-CD1 4.14Å; F33-I52 HydrophobicContact CG-CG1 4.36Å; F33-I52 PolarHBondContact O-N 3.42Å
53F90.8Very high88.5Confident103 Ų10355.8 Ų55.845%0.45232%0.315SS..THydrogen-bonded Turntrans-90.2-5.2178.8-57.2-68.2000113.2S11 I25 F33 S51S11-F53 VanDerWaalsContact CA-O 3.29Å; S11-F53 WeakPolarHBondContact CA-O 3.49Å; I25-F53 HydrophobicContact CD1-CE2 3.78Å; F33-F53 HydrophobicContact CD1-CD2 4.46Å; F33-F53 AromaticContact CD1-CE2 3.47Å; F33-F53 HydrophobicContact CD1-CE2 3.47Å; F33-F53 VanDerWaalsContact CD1-CE2 3.47Å; F33-F53 AromaticContact CD1-CZ 3.81Å; F33-F53 HydrophobicContact CD1-CZ 3.81Å; F33-F53 AromaticContact CE1-CE2 4Å; F33-F53 HydrophobicContact CE1-CE2 4Å; F33-F53 AromaticContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CG-CE2 4.46Å; S51-F53 PolarHBondContact O-N 3.39Å; S51-F53 VanDerWaalsContact O-N 3.15Å; S51-F53 PolarHBondContact OG-N 3.25Å
54G91.7Very high87.7Confident9 Ų959.8 Ų59.89%0.09333%0.334CS..EExtended strand (participates in β ladder)trans117.9-165-169.700000112.1S11 S51 I56S11-G54 PolarHBondContact OG-O 2.84Å; S11-G54 VanDerWaalsContact OG-O 3.14Å; S51-G54 WeakPolarHBondContact CA-O 3.35Å; S51-G54 WeakPolarHBondContact CB-O 3.35Å; S51-G54 PolarHBondContact N-O 3.17Å; S51-G54 PolarHBondContact O-N 3.49Å; S51-G54 PolarHBondContact OG-N 2.86Å; S51-G54 PolarHBondContact OG-O 2.9Å; G54-I56 PolarHBondContact O-N 3.34Å
55L91.9Very high86.5Confident3 Ų361.1 Ų61.12%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-82.6112-179.9-164.676.3000110.6L5 P6 N9 L10 S11 V49L5-L55 HydrophobicContact CB-CD2 4.4Å; L5-L55 HydrophobicContact CD2-CD2 3.72Å; P6-L55 HydrophobicContact CG-CD2 4.27Å; N9-L55 WeakPolarHBondContact O-CA 3.44Å; N9-L55 WeakPolarHBondContact O-CB 3.25Å; N9-L55 PolarHBondContact O-N 3.15Å; L10-L55 WeakPolarHBondContact CA-O 3.39Å; L10-L55 HydrophobicContact CD2-CB 4.2Å; L10-L55 HydrophobicContact CD2-CD2 4.06Å; S11-L55 PolarHBondContact N-O 3.07Å; S11-L55 PolarHBondContact OG-N 2.98Å; S11-L55 PolarHBondContact OG-O 3.24Å; V49-L55 CarbonylContact O-C 3.57Å; V49-L55 WeakPolarHBondContact O-CA 2.78Å
56I91.8Very high85.2Confident61 Ų6169.5 Ų69.531%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-78.5131.8173.4-60.2174.3000108.5S11 I34 G48 V49 S51 G54S11-I56 WeakPolarHBondContact OG-CG1 3.03Å; S11-I56 PolarHBondContact OG-N 3.35Å; I34-I56 HydrophobicContact CD1-CD1 3.84Å; G48-I56 CarbonylContact C-O 3.57Å; G48-I56 WeakPolarHBondContact CA-O 3.23Å; V49-I56 PolarHBondContact N-O 2.81Å; V49-I56 PolarHBondContact O-N 3.27Å; S51-I56 WeakPolarHBondContact OG-CG1 3.28Å; G54-I56 PolarHBondContact O-N 3.34Å
57L89.6Confident84Confident55 Ų5577.4 Ų77.429%0.28841%0.409SS..EExtended strand (participates in β ladder)trans-93.1122.3174.2-64.2-179000110.3W2 L5 L10 F14W2-L57 HydrophobicContact CZ3-CD1 4.45Å; L5-L57 HydrophobicContact CD1-CD2 3.57Å; L5-L57 HydrophobicContact CD2-CD2 4.4Å; L5-L57 HydrophobicContact CG-CD2 4.45Å; L10-L57 HydrophobicContact CD1-CD1 4Å; L10-L57 HydrophobicContact CD2-CD1 4.09Å; L10-L57 HydrophobicContact CD2-CD2 3.84Å; L10-L57 HydrophobicContact CD2-CG 3.92Å; F14-L57 HydrophobicContact CD2-CD1 4.45Å; F14-L57 HydrophobicContact CE2-CD1 4.27Å
58C88.1Confident82.6Confident56 Ų5682.6 Ų82.638%0.37844%0.44SS..EExtended strand (participates in β ladder)trans-135.216517767.50000112.2P46 V47P46-C58 CarbonylContact C-O 2.98Å; P46-C58 WeakPolarHBondContact CA-O 3.45Å; P46-C58 WeakPolarHBondContact CB-O 3.2Å; V47-C58 PolarHBondContact N-O 2.92Å; V47-C58 PolarHBondContact O-N 3.09Å
59G87.5Confident81.3Confident62 Ų6287 Ų8764%0.63947%0.471SS*.SBendtrans83.1-166.8178.500000114.5
60K85.6Confident79.8Confident127 Ų12793 Ų9355%0.55251%0.508SS*.  trans-77.2144.4-171.568.2-171.891.4122.20111.4A43 E45 P46A43-K60 WeakPolarHBondContact O-CD 3.47Å; A43-K60 WeakPolarHBondContact O-CE 3.4Å; A43-K60 WeakPolarHBondContact O-CG 3.45Å; A43-K60 PolarHBondContact O-NZ 2.59Å; E45-K60 CarbonylContact C-O 3.26Å; P46-K60 VanDerWaalsContact CA-O 3.28Å; P46-K60 WeakPolarHBondContact CA-O 3.49Å; P46-K60 WeakPolarHBondContact CD-O 3.48Å
61T83.2Confident78.5Confident50 Ų5097.2 Ų97.231%0.30753%0.53SS..  trans-98-7.4-175.456.20000113.6W2 D44 R63W2-T61 HydrophobicContact CH2-CG2 3.84Å; W2-T61 HydrophobicContact CZ2-CG2 3.95Å; W2-T61 WeakPolarHBondContact CZ2-O 3.47Å; W2-T61 PolarHBondContact NE1-O 3.49Å; D44-T61 CarbonylContact O-C 3.6Å; D44-T61 VanDerWaalsContact O-C 3.26Å; T61-R63 PolarHBondContact O-N 3.18Å
62G78.3Confident77.5Confident53 Ų53104.6 Ų104.655%0.54657%0.567SS.*SBendtrans68.3-0.2-175.600000113.4D44D44-G62 WeakPolarHBondContact O-CA 3.38Å; D44-G62 PolarHBondContact O-N 2.67Å
63R73.9Confident76.4Confident154 Ų154106.6 Ų106.658%0.58158%0.576SS**  trans-92.9121.7176.9-67.4178.1173.9178.6-5.4108.4T61 M65T61-R63 PolarHBondContact O-N 3.18Å; R63-M65 PolarHBondContact O-N 3.26Å
64T66.3Low75.2Confident143 Ų143106.1 Ų106.188%0.87759%0.585SS**  trans-67.588.4161.737.20000108.2K66T64-K66 PolarHBondContact O-N 3.18Å
65M62.1Low74Confident120 Ų120113.9 Ų113.959%0.59162%0.618SS**  trans-64.9115.6169-73.8-80.3-166.800107.2R63 K67R63-M65 PolarHBondContact O-N 3.26Å; M65-K67 PolarHBondContact O-N 3.38Å
66K59.6Low72.8Confident221 Ų221121 Ų12196%0.96166%0.655SS**SBendtrans-65.2-9.1165.7-70.1-172.5177.5-176.70112.2T64T64-K66 PolarHBondContact O-N 3.18Å
67K64.8Low71.6Confident169 Ų169121 Ų12174%0.73566%0.66SS**SBendtrans-97.1123.9-178.8-158.8172.8-176.2-179.30109.4M65 S69M65-K67 PolarHBondContact O-N 3.38Å; K67-S69 PolarHBondContact O-N 3.49Å
68V63.5Low70.6Confident135 Ų135127.8 Ų127.882%0.81869%0.69SS**PPolyproline II helixtrans-56.4120170.8-178.60000107.7
69S64.7Low69.5Low93 Ų93133.8 Ų133.865%0.6571%0.713SS**PPolyproline II helixtrans-94.8124.1170.4-61.30000107.3K67K67-S69 PolarHBondContact O-N 3.49Å
70T62Low68.5Low141 Ų141134.1 Ų134.187%0.86570%0.698SS**PPolyproline II helixtrans-81.1121173.7-47.70000108.1
71M67.6Low68.1Low161 Ų161131 Ų13179%0.79369%0.692SS**  trans-109.9125.5169.5-179.8-179.6-68.300107.2
72L70.7Confident68Low165 Ų165133.6 Ų133.686%0.86471%0.707SS**  trans-94.8115.2169.8-176.666.5000107.7
73M70.2Confident68.2Low158 Ų158136.5 Ų136.578%0.77871%0.71SS**  trans-103.9115.3167.1-176.868.878.500106.8
74C65.6Low68.6Low93 Ų93131.9 Ų131.963%0.62870%0.699SS**  trans-106.5116.3173.1-174.20000107.6
75Q66.5Low69.4Low171 Ų171129.3 Ų129.380%0.79968%0.679SS**  trans-98.1114.8169.9-177.2177.8-2500106.9
76I66.9Low70.5Confident154 Ų154126.8 Ų126.879%0.7967%0.668SS**  trans-94.7118.1173.4-56.5174.2000106.1
77S67.4Low71.7Confident59 Ų59124.5 Ų124.541%0.41365%0.653SS.*  trans-108.5135.4173.6-173.90000108.6E79S77-E79 PolarHBondContact O-N 3.28Å
78E68.9Low72.6Confident199 Ų199120.1 Ų120.193%0.9364%0.636SS**THydrogen-bonded Turntrans-71.9-10.5179.8-63.8-175.3171.400113
79E63.4Low73.7Confident181 Ų181118.1 Ų118.185%0.84662%0.62SS**THydrogen-bonded Turntrans-109.917.2-172.5-70-169.1163.500115.2S77 S81S77-E79 PolarHBondContact O-N 3.28Å; E79-S81 PolarHBondContact O-N 3.39Å; E79-S81 VanDerWaalsContact O-N 3.11Å
80E67.3Low74.8Confident70 Ų70121.6 Ų121.633%0.32762%0.619SS.*  trans-72.4112.7171.1-74.2-167.416900110V82 V84 L85 Q88E80-V82 PolarHBondContact O-N 3.31Å; E80-V84 HydrophobicContact CB-CB 4.38Å; E80-V84 HydrophobicContact CB-CG1 4.28Å; E80-V84 HydrophobicContact CG-CG1 4.13Å; E80-L85 HydrophobicContact CB-CD2 4.18Å; E80-L85 HydrophobicContact CB-CG 4.01Å; E80-L85 WeakPolarHBondContact OE2-CD2 3.33Å; E80-Q88 PolarHBondContact OE1-NE2 3.28Å; E80-Q88 PolarHBondContact OE2-NE2 3.21Å; E80-Q88 PolarHBondContact OE2-OE1 3.11Å
81S77.6Confident76Confident62 Ų62121.3 Ų121.343%0.43461%0.608SS.*  trans-51143.7172.172.50000109.8E79 N83 V84 L85E79-S81 PolarHBondContact O-N 3.39Å; E79-S81 VanDerWaalsContact O-N 3.11Å; S81-N83 PolarHBondContact O-N 3.4Å; S81-V84 WeakPolarHBondContact O-CA 3.39Å; S81-V84 WeakPolarHBondContact O-CB 3.43Å; S81-V84 PolarHBondContact O-N 3.2Å; S81-V84 WeakPolarHBondContact OG-CG2 3.41Å; S81-L85 PolarHBondContact O-N 3.46Å
82V80.4Confident76.9Confident104 Ų104119 Ų11963%0.6360%0.598SS**Hα-helixtrans-48.6-34.4179.3177.40000112.1E80 V84 L85 L86E80-V82 PolarHBondContact O-N 3.31Å; V82-V84 PolarHBondContact O-N 3.46Å; V82-L85 PolarHBondContact O-N 2.95Å; V82-L86 HydrophobicContact CG1-CD1 3.87Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.3Å; V82-L86 PolarHBondContact O-N 2.95Å
83N82Confident77.5Confident114 Ų114116.9 Ų116.961%0.6159%0.587SS**Hα-helixtrans-63.5-36.2176.4-69.1-35.7000113.8S81 R87S81-N83 PolarHBondContact O-N 3.4Å; N83-R87 WeakPolarHBondContact O-CB 3.32Å; N83-R87 VanDerWaalsContact O-CG 3.24Å; N83-R87 WeakPolarHBondContact O-CG 3.49Å; N83-R87 PolarHBondContact O-N 3.38Å; N83-R87 VanDerWaalsContact O-N 3.11Å
84V82.8Confident78.3Confident56 Ų56111.5 Ų111.534%0.33957%0.568SS.*Hα-helixtrans-69.7-47.2176.8172.60000109.7E80 S81 V82 L86 R87 Q88E80-V84 HydrophobicContact CB-CB 4.38Å; E80-V84 HydrophobicContact CB-CG1 4.28Å; E80-V84 HydrophobicContact CG-CG1 4.13Å; S81-V84 WeakPolarHBondContact O-CA 3.39Å; S81-V84 WeakPolarHBondContact O-CB 3.43Å; S81-V84 PolarHBondContact O-N 3.2Å; S81-V84 WeakPolarHBondContact OG-CG2 3.41Å; V82-V84 PolarHBondContact O-N 3.46Å; V84-L86 PolarHBondContact O-N 2.93Å; V84-R87 PolarHBondContact O-N 3.46Å; V84-Q88 WeakPolarHBondContact O-CG 3.39Å; V84-Q88 PolarHBondContact O-N 2.77Å
85L83.4Confident79.1Confident89 Ų89113.2 Ų113.247%0.46657%0.569SS.*Hα-helixtrans-59.3-46.8177.5-69.3169.8000112E80 S81 V82 R87 Q88 L89E80-L85 HydrophobicContact CB-CD2 4.18Å; E80-L85 HydrophobicContact CB-CG 4.01Å; E80-L85 WeakPolarHBondContact OE2-CD2 3.33Å; S81-L85 PolarHBondContact O-N 3.46Å; V82-L85 PolarHBondContact O-N 2.95Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 3.14Å; L85-Q88 PolarHBondContact O-N 3.48Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 2.96Å
86L84.7Confident79.8Confident67 Ų67108.4 Ų108.435%0.35157%0.566SS.*Hα-helixtrans-62.7-39.4177.3-73.8173.6000112.2V82 V84 L89 W90V82-L86 HydrophobicContact CG1-CD1 3.87Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.3Å; V82-L86 PolarHBondContact O-N 2.95Å; V84-L86 PolarHBondContact O-N 2.93Å; L86-L89 PolarHBondContact O-N 3.42Å; L86-W90 PolarHBondContact O-N 3.44Å
87R84.9Confident80.5Confident173 Ų173106.7 Ų106.765%0.65356%0.557SS**Hα-helixtrans-63.8-44.9175.1-79.6176-177-82.6-0.2111.8N83 V84 L85 L89 W90 Q91N83-R87 WeakPolarHBondContact O-CB 3.32Å; N83-R87 VanDerWaalsContact O-CG 3.24Å; N83-R87 WeakPolarHBondContact O-CG 3.49Å; N83-R87 PolarHBondContact O-N 3.38Å; N83-R87 VanDerWaalsContact O-N 3.11Å; V84-R87 PolarHBondContact O-N 3.46Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 3.14Å; R87-L89 VanDerWaalsContact C-N 3.34Å; R87-W90 PolarHBondContact O-N 2.91Å; R87-Q91 WeakPolarHBondContact O-CB 3.22Å; R87-Q91 WeakPolarHBondContact O-CG 3.34Å; R87-Q91 PolarHBondContact O-N 2.96Å
88Q85Confident81Confident78 Ų78110.6 Ų110.636%0.36457%0.572SS.*Hα-helixtrans-62.6-43.1177.3-71.8176.31.500111.2E80 V84 L85 Q91 L92E80-Q88 PolarHBondContact OE1-NE2 3.28Å; E80-Q88 PolarHBondContact OE2-NE2 3.21Å; E80-Q88 PolarHBondContact OE2-OE1 3.11Å; V84-Q88 WeakPolarHBondContact O-CG 3.39Å; V84-Q88 PolarHBondContact O-N 2.77Å; L85-Q88 PolarHBondContact O-N 3.48Å; Q88-Q91 PolarHBondContact O-N 3.31Å; Q88-L92 WeakPolarHBondContact O-CG 3.41Å; Q88-L92 PolarHBondContact O-N 2.88Å
89L85.7Confident81.1Confident93 Ų93106.1 Ų106.149%0.48756%0.56SS.*Hα-helixtrans-59.2-49.3176.3-172.673.2000111.4L85 L86 R87 Q91 L92 D93L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 2.96Å; L86-L89 PolarHBondContact O-N 3.42Å; R87-L89 VanDerWaalsContact C-N 3.34Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.23Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.46Å; L89-D93 PolarHBondContact O-N 2.93Å
90W88.3Confident81.3Confident166 Ų166106 Ų10663%0.62956%0.56SS**Hα-helixtrans-68.2-32178.3-67.1-19.5000113.4L86 R87 L92 D93 A94L86-W90 PolarHBondContact O-N 3.44Å; R87-W90 PolarHBondContact O-N 2.91Å; W90-L92 VanDerWaalsContact C-N 3.34Å; W90-D93 PolarHBondContact O-N 3.29Å; W90-A94 WeakPolarHBondContact O-CB 3.42Å; W90-A94 PolarHBondContact O-N 2.91Å
91Q86.4Confident81.1Confident135 Ų135110 Ų11063%0.63158%0.579SS**Hα-helixtrans-65.2-39.7172.7-78.8174.6-2600111.5R87 Q88 L89 A94 I95R87-Q91 WeakPolarHBondContact O-CB 3.22Å; R87-Q91 WeakPolarHBondContact O-CG 3.34Å; R87-Q91 PolarHBondContact O-N 2.96Å; Q88-Q91 PolarHBondContact O-N 3.31Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.23Å; Q91-A94 PolarHBondContact O-N 3.43Å; Q91-I95 WeakPolarHBondContact O-CG1 3.21Å; Q91-I95 PolarHBondContact O-N 3.43Å
92L86.7Confident80Confident113 Ų113115 Ų11559%0.59260%0.6SS**Hα-helixtrans-66.1-44.4174.3-73.6170.6000111.7Q88 L89 W90 A94 I95Q88-L92 WeakPolarHBondContact O-CG 3.41Å; Q88-L92 PolarHBondContact O-N 2.88Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.46Å; W90-L92 VanDerWaalsContact C-N 3.34Å; L92-A94 VanDerWaalsContact C-N 3.26Å; L92-A94 PolarHBondContact O-N 3.43Å; L92-I95 HydrophobicContact CD2-CD1 3.8Å; L92-I95 VanDerWaalsContact O-CB 3.32Å; L92-I95 WeakPolarHBondContact O-CB 3.44Å; L92-I95 VanDerWaalsContact O-CG1 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.24Å; L92-I95 PolarHBondContact O-N 3.11Å; L92-I95 VanDerWaalsContact O-N 3.14Å
93D84.4Confident78.7Confident119 Ų119116.1 Ų116.164%0.63660%0.603SS**Hα-helixtrans-65.3-29.7176.2-84.5-4.3000112.7L89 W90 I95L89-D93 PolarHBondContact O-N 2.93Å; W90-D93 PolarHBondContact O-N 3.29Å; D93-I95 VanDerWaalsContact C-N 3.25Å; D93-I95 PolarHBondContact O-N 3.36Å
94A85.2Confident77.1Confident45 Ų45114.6 Ų114.637%0.37261%0.614SS.*THydrogen-bonded Turntrans-78.1-5.7176.500000113.6W90 Q91 L92 G96 I97W90-A94 WeakPolarHBondContact O-CB 3.42Å; W90-A94 PolarHBondContact O-N 2.91Å; Q91-A94 PolarHBondContact O-N 3.43Å; L92-A94 VanDerWaalsContact C-N 3.26Å; L92-A94 PolarHBondContact O-N 3.43Å; A94-G96 PolarHBondContact O-N 2.93Å; A94-G96 VanDerWaalsContact O-N 3.1Å; A94-I97 HydrophobicContact CB-CD1 4.36Å; A94-I97 WeakPolarHBondContact O-CB 3.42Å; A94-I97 PolarHBondContact O-N 3.42Å
95I83.7Confident75.3Confident129 Ų129116.7 Ų116.766%0.66263%0.631SS**THydrogen-bonded Turntrans-60.7119.3176.4-65.1174.6000109Q91 L92 D93Q91-I95 WeakPolarHBondContact O-CG1 3.21Å; Q91-I95 PolarHBondContact O-N 3.43Å; L92-I95 HydrophobicContact CD2-CD1 3.8Å; L92-I95 VanDerWaalsContact O-CB 3.32Å; L92-I95 WeakPolarHBondContact O-CB 3.44Å; L92-I95 VanDerWaalsContact O-CG1 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.24Å; L92-I95 PolarHBondContact O-N 3.11Å; L92-I95 VanDerWaalsContact O-N 3.14Å; D93-I95 VanDerWaalsContact C-N 3.25Å; D93-I95 PolarHBondContact O-N 3.36Å
96G80.7Confident73.4Confident71 Ų71117.3 Ų117.373%0.73264%0.643SS**THydrogen-bonded Turntrans93.7-3.8-177.600000114.6A94 I98A94-G96 PolarHBondContact O-N 2.93Å; A94-G96 VanDerWaalsContact O-N 3.1Å; G96-I98 PolarHBondContact O-N 3.1Å
97I81.5Confident71.5Confident118 Ų118126 Ų12661%0.60567%0.671SS**  trans-82.8104.3167.4-53.7-176.4000107.8A94A94-I97 HydrophobicContact CB-CD1 4.36Å; A94-I97 WeakPolarHBondContact O-CB 3.42Å; A94-I97 PolarHBondContact O-N 3.42Å
98I78Confident69.4Low140 Ų140122.8 Ų122.872%0.71868%0.682SS**  trans-84.1126.3174.1-51.5174.4000106.9G96 E100G96-I98 PolarHBondContact O-N 3.1Å; I98-E100 PolarHBondContact O-N 2.91Å
99P70.7Confident67.4Low105 Ų105122.7 Ų122.768%0.68270%0.702SS**  trans-62129173.425.2-30.7000108.6E101P99-E101 PolarHBondContact O-N 3.29Å
100E68.5Low65.6Low179 Ų179130.4 Ų130.484%0.83673%0.725SS**  trans-60.1103.4171.5-68.7-74.9155.100107.7I98 N102I98-E100 PolarHBondContact O-N 2.91Å; E100-N102 PolarHBondContact O-N 2.92Å
101E62.8Low63.9Low155 Ų155131.1 Ų131.172%0.72474%0.735SS**  trans-61.5113.8168.2-73.2-168.9176.200107.1P99 N103P99-E101 PolarHBondContact O-N 3.29Å; E101-N103 PolarHBondContact O-N 3.48Å; E101-N103 PolarHBondContact OE2-ND2 3.01Å
102N55.3Low62.3Low166 Ų166130.9 Ų130.989%0.88875%0.746SS**  trans-72.959.7177.9-15414.8000109.9E100E100-N102 PolarHBondContact O-N 2.92Å
103N51.3Low60.7Low127 Ų127132.6 Ų132.668%0.67976%0.755SS**  trans-93.199.9168.3-81.6-26.1000106.7E101 S105E101-N103 PolarHBondContact O-N 3.48Å; E101-N103 PolarHBondContact OE2-ND2 3.01Å; N103-S105 PolarHBondContact O-N 3.43Å
104G48.5Very low59.4Low82 Ų82136.2 Ų136.285%0.84577%0.765SS**  trans-58.695.6176.500000111.5
105S46.3Very low57.8Low101 Ų101139.3 Ų139.371%0.70678%0.781SS**  trans-171.2111.2148.7-160.60000111.5N103N103-S105 PolarHBondContact O-N 3.43Å
106S43.4Very low56.5Low102 Ų102138.7 Ų138.771%0.71379%0.786SS**  trans62.5104.7134.2-43.60000121.5
107R43.3Very low55.7Low248 Ų248143.5 Ų143.594%0.93679%0.793SS**  trans65.8122.5135.5-77.217370.51740.6120.5
108A41Very low54.7Low107 Ų107146 Ų14688%0.88480%0.802SS**  trans103.3108.4140.800000116.6
109G43.3Very low53.9Low76 Ų76148.1 Ų148.178%0.78481%0.807SS**  trans144.448.4168.800000114.7H111G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.73Å
110R49.2Very low53.5Low255 Ų255150 Ų15096%0.96281%0.811SS**  trans-7286.1173.1-71.2-176.8-171.2170.22.2109.5
111H52.2Low52.8Low181 Ų181143.9 Ų143.984%0.83880%0.796SS**  trans-86.7120.1158.2-116-89.5000108G109 L113G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.73Å; H111-L113 PolarHBondContact O-N 3.26Å
112C51.4Low52.2Low130 Ų130148.9 Ų148.988%0.87882%0.819SS**  trans-63.599.4-170.4-153.70000110.6
113L54Low52Low148 Ų148148 Ų14878%0.77582%0.816SS**PPolyproline II helixtrans-80.1128.1166.2-61.1178.6000107.6H111H111-L113 PolarHBondContact O-N 3.26Å
114K57.1Low52.1Low196 Ų196149.1 Ų149.185%0.85282%0.823SS**PPolyproline II helixtrans-53141.5177.3-79.1178.9175.61740109.7
115P52Low52.3Low109 Ų109152.8 Ų152.871%0.70882%0.822SS**PPolyproline II helixtrans-61.7144.7178.226.3-31.7000110I117P115-I117 PolarHBondContact O-N 3.06Å
116P55.4Low52.6Low117 Ų117155.9 Ų155.976%0.7683%0.829SS**PPolyproline II helixtrans-62.2134.5177.725.5-31.5000109.5Q118P116-Q118 PolarHBondContact O-N 3.11Å
117I64.8Low53.2Low172 Ų172159.3 Ų159.388%0.88284%0.836SS**PPolyproline II helixtrans-69.8116.6178-59.2170.1000107.3P115P115-I117 PolarHBondContact O-N 3.06Å
118Q60Low53.9Low170 Ų170153.3 Ų153.379%0.79483%0.829SS**PPolyproline II helixtrans-91128170.5-69.8-167.9-68.200109.6P116P116-Q118 PolarHBondContact O-N 3.11Å
119F61.7Low54.8Low185 Ų185156.6 Ų156.681%0.81183%0.825SS**PPolyproline II helixtrans-97.6123.1174-177.7-104.4000109.4G121F119-G121 VanDerWaalsContact CE1-CA 3.49Å
120N62.6Low55.7Low143 Ų143162.8 Ų162.877%0.76583%0.829SS**  trans-94.98.7-172.7-69.8-0.5000114.8E122N120-E122 PolarHBondContact O-N 2.82Å; N120-E122 VanDerWaalsContact O-N 3.11Å
121G52.3Low56.2Low52 Ų52155.2 Ų155.254%0.53682%0.817SS.*  trans51.938.8158.500000118.6F119F119-G121 VanDerWaalsContact CE1-CA 3.49Å
122E51Low56.6Low259 Ų259152.8 Ų152.8100%1.2182%0.816SS**  trans-64.50159.2-66-169.6175.300111.4N120N120-E122 PolarHBondContact O-N 2.82Å; N120-E122 VanDerWaalsContact O-N 3.11Å

Retrieved 122 of 122 residues in 105.6 ms (Link to these results)