A0A3Q0KLR3_SCHMA Loading...

Putative mrg-binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M59.6Low60.4Low245 Ų245165.7 Ų165.7100%1.20786%0.857SS**  0119.70-67.1155.2175.200107.1
2K56.3Low60Low213 Ų213157.4 Ų157.493%0.92684%0.842SS**  trans-95.5138.4-174.5-85.5178173173.70110.5S4K2-S4 PolarHBondContact O-N 3.49Å
3L54Low60.2Low178 Ų178158.5 Ų158.593%0.93285%0.845SS**  trans-68129.1-176-65.195.7000111.4
4S58.9Low60.3Low101 Ų101161.4 Ų161.471%0.70685%0.847SS**  trans-112.785.4163.5-173.80000107.8K2K2-S4 PolarHBondContact O-N 3.49Å
5G65.8Low60.1Low83 Ų83162.3 Ų162.386%0.85685%0.845SS**  trans-97.192.317300000109.1
6M70.1Confident59.8Low136 Ų136165.3 Ų165.367%0.6784%0.843SS**  trans-87.7155.6-167.7-157.690.587.300112.5
7F63.1Low59.4Low191 Ų191161.5 Ų161.584%0.83884%0.835SS**  trans69.677.4166.5-64.7-62.3000119.4
8R61.8Low59.9Low233 Ų233156.7 Ų156.788%0.87982%0.816SS**  trans-60.7126.9146.6176.7175.3173.5172.7-4.1111.3
9T54.9Low59.4Low119 Ų119157.5 Ų157.573%0.7382%0.818SS**  trans43117.9145.8-42.50000119.8
10C61.8Low59.4Low111 Ų111155 Ų15575%0.7581%0.809SS**  -179.3164.7127.3-1020000112.2
11F58Low58.8Low213 Ų213154.6 Ų154.693%0.93481%0.808SS**  trans63.4125.1-177.4-68.2-94.9000115.6
12G55.2Low58.1Low66 Ų66151.5 Ų151.568%0.6879%0.791SS**  cis159.4104.30.100000108.1K14G12-K14 PolarHBondContact O-N 3.12Å
13I63.4Low57.3Low172 Ų172146 Ų14688%0.88279%0.785SS**  trans-67110.8-179.2-60.3176.3000107.5Q15I13-Q15 PolarHBondContact O-N 3.07Å; I13-Q15 VanDerWaalsContact O-N 3.07Å
14K61.1Low57Low198 Ų198140.6 Ų140.686%0.86177%0.772SS**  trans-64.9107.8-177.2-170.4173.6-177.5-179.50108.4G12 Y16G12-K14 PolarHBondContact O-N 3.12Å; K14-Y16 PolarHBondContact O-N 3.2Å; K14-Y16 VanDerWaalsContact O-N 3.15Å
15Q58.1Low56.6Low175 Ų175144.4 Ų144.482%0.81878%0.784SS**  trans-52.1119.5169.8-77.4-73.2-0.500108.7I13 S17I13-Q15 PolarHBondContact O-N 3.07Å; I13-Q15 VanDerWaalsContact O-N 3.07Å; Q15-S17 PolarHBondContact O-N 3.02Å; Q15-S17 VanDerWaalsContact O-N 3.12Å
16Y55.2Low56.5Low210 Ų210145.4 Ų145.482%0.82477%0.769SS**  trans-80.591.5172.6-168-90000107.4K14 P18K14-Y16 PolarHBondContact O-N 3.2Å; K14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-P18 VanDerWaalsContact O-CD 3.29Å; Y16-P18 WeakPolarHBondContact O-CD 3.29Å
17S53.1Low56.8Low101 Ų101143 Ų14371%0.70676%0.762SS**  trans-86.1110.3170.6-171.70000107.4Q15 M19Q15-S17 PolarHBondContact O-N 3.02Å; Q15-S17 VanDerWaalsContact O-N 3.12Å; S17-M19 PolarHBondContact O-N 3.18Å
18P67.1Low57.9Low76 Ų76135.1 Ų135.149%0.49473%0.727SS.*  trans-64.2125.4171.626.9-32.5000108.3Y16 V20Y16-P18 VanDerWaalsContact O-CD 3.29Å; Y16-P18 WeakPolarHBondContact O-CD 3.29Å; P18-V20 PolarHBondContact O-N 3.3Å
19M50.9Low59.1Low172 Ų172129 Ų12985%0.84771%0.712SS**  trans-70.3111.6166.8-70.1-171.170.700107.2S17 D21S17-M19 PolarHBondContact O-N 3.18Å; M19-D21 PolarHBondContact O-N 3.15Å
20V59.2Low60.8Low106 Ų106128.8 Ų128.864%0.64271%0.705SS**  trans-83.294.9-179.6-155.60000107.6P18 Q22P18-V20 PolarHBondContact O-N 3.3Å; V20-Q22 HydrophobicContact CB-CG 4.38Å; V20-Q22 HydrophobicContact CG1-CG 3.72Å; V20-Q22 PolarHBondContact O-N 2.81Å
21D47.9Very low62.2Low147 Ų147129.7 Ų129.779%0.78670%0.699SS**  trans-71.974.5169.5-78.4-25.8000109.3M19 A23M19-D21 PolarHBondContact O-N 3.15Å; D21-A23 PolarHBondContact O-N 2.82Å
22Q43.3Very low63.8Low180 Ų180119.6 Ų119.684%0.84165%0.654SS**  trans-70.267.5170-73-174-100.500110.4V20V20-Q22 HydrophobicContact CB-CG 4.38Å; V20-Q22 HydrophobicContact CG1-CG 3.72Å; V20-Q22 PolarHBondContact O-N 2.81Å
23A40.8Very low65.5Low99 Ų99118.7 Ų118.782%0.81863%0.632SS**  trans-11155.3-178.800000112D21D21-A23 PolarHBondContact O-N 2.82Å
24G47.1Very low67Low63 Ų63114.3 Ų114.365%0.64961%0.61SS**SBendtrans116.280.6160.500000116.7D26G24-D26 PolarHBondContact O-N 2.87Å
25L51Low68.5Low182 Ų182105.9 Ų105.995%0.95357%0.573SS**  trans43.234.7157.4-69.5171.8000116.7V27L25-V27 PolarHBondContact O-N 2.8Å
26D63Low70.3Confident104 Ų10497.6 Ų97.656%0.55654%0.535SS*.  trans-73126.6173-155.68.1000108.5G24 W28 K77G24-D26 PolarHBondContact O-N 2.87Å; D26-W28 PolarHBondContact O-N 3Å; D26-W28 VanDerWaalsContact O-N 3.17Å; D26-W28 VanDerWaalsContact OD1-CD1 3.28Å; D26-K77 IonicContact OD2-NZ 3.16Å; D26-K77 PolarHBondContact OD2-NZ 3.12Å; D26-K77 VanDerWaalsContact OD2-NZ 3.16Å
27V77Confident72.1Confident85 Ų8591 Ų9152%0.51551%0.511SS..SBendtrans-67.7-11.5177.8177.40000110.6L25 I69L25-V27 PolarHBondContact O-N 2.8Å; V27-I69 HydrophobicContact CG1-CG1 4.35Å
28W85.7Confident74.1Confident26 Ų2690.9 Ų90.910%0.09850%0.499CS..  trans-96111.3-175.1-63.792.2000112.1D26 E33 L36 I69 I74 K77D26-W28 PolarHBondContact O-N 3Å; D26-W28 VanDerWaalsContact O-N 3.17Å; D26-W28 VanDerWaalsContact OD1-CD1 3.28Å; W28-E33 HydrophobicContact CB-CG 4.12Å; W28-E33 HydrophobicContact CE3-CG 4.16Å; W28-L36 HydrophobicContact CH2-CD2 3.85Å; W28-L36 HydrophobicContact CZ3-CB 4.08Å; W28-L36 HydrophobicContact CZ3-CD2 3.83Å; W28-L36 HydrophobicContact CZ3-CG 4.45Å; W28-I69 HydrophobicContact CE3-CD1 4.09Å; W28-I69 HydrophobicContact CH2-CD1 4.08Å; W28-I69 HydrophobicContact CH2-CG2 4.08Å; W28-I69 HydrophobicContact CZ2-CD1 4.49Å; W28-I69 HydrophobicContact CZ2-CG2 3.93Å; W28-I69 HydrophobicContact CZ3-CD1 3.86Å; W28-I74 HydrophobicContact CH2-CB 4.48Å; W28-I74 HydrophobicContact CH2-CG1 4.01Å; W28-I74 HydrophobicContact CZ2-CG1 4.31Å; W28-K77 HydrophobicContact CD2-CB 4.33Å; W28-K77 HydrophobicContact CD2-CD 4.01Å; W28-K77 HydrophobicContact CD2-CG 3.86Å; W28-K77 HydrophobicContact CE3-CG 4.38Å; W28-K77 HydrophobicContact CG-CD 3.85Å; W28-K77 HydrophobicContact CG-CG 4.26Å; W28-K77 HydrophobicContact CH2-CB 4.26Å; W28-K77 HydrophobicContact CH2-CG 4.39Å; W28-K77 HydrophobicContact CZ2-CB 3.5Å; W28-K77 HydrophobicContact CZ2-CG 3.89Å
29N87.4Confident75.5Confident104 Ų10487.3 Ų87.356%0.55648%0.475SS*.  trans-86154.3162.4-172.12.3000109.7E31 S32 E33N29-E31 PolarHBondContact O-N 3.12Å; N29-S32 PolarHBondContact N-OG 2.8Å; N29-S32 WeakPolarHBondContact O-CA 3.24Å; N29-S32 WeakPolarHBondContact O-CB 3.44Å; N29-S32 PolarHBondContact O-N 3.18Å; N29-S32 PolarHBondContact O-OG 3.2Å; N29-E33 PolarHBondContact O-N 3.34Å
30L90.4Very high77.6Confident115 Ų11580.3 Ų80.360%0.60244%0.441SS*.Hα-helixtrans-53.1-41.6177.8-67.4171.9000112.3S32 E33 I34L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.01Å; L30-E33 PolarHBondContact O-N 2.65Å; L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.02Å
31E90.8Very high79.2Confident130 Ų13082 Ų8261%0.60745%0.446SS*.Hα-helixtrans-59.7-39.1174.7-63.8-60.5149.400112.5N29 Q35N29-E31 PolarHBondContact O-N 3.12Å; E31-Q35 WeakPolarHBondContact O-CB 3.44Å; E31-Q35 PolarHBondContact O-N 2.89Å
32S91.4Very high81.4Confident0 Ų080.9 Ų80.90%044%0.44CS..Hα-helixtrans-72-32.2177.670.70000112.9N29 L30 L36 V65N29-S32 PolarHBondContact N-OG 2.8Å; N29-S32 WeakPolarHBondContact O-CA 3.24Å; N29-S32 WeakPolarHBondContact O-CB 3.44Å; N29-S32 PolarHBondContact O-N 3.18Å; N29-S32 PolarHBondContact O-OG 3.2Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.01Å; S32-L36 WeakPolarHBondContact O-CB 2.99Å; S32-L36 PolarHBondContact O-N 2.91Å; S32-V65 VanDerWaalsContact CB-CG2 3.46Å
33E92.6Very high83.8Confident47 Ų4774.5 Ų74.522%0.2241%0.41CS..Hα-helixtrans-71.1-46.6173.5-66.9-167.3161.500111.7W28 N29 L30 Q35 L36 F37 K77W28-E33 HydrophobicContact CB-CG 4.12Å; W28-E33 HydrophobicContact CE3-CG 4.16Å; N29-E33 PolarHBondContact O-N 3.34Å; L30-E33 PolarHBondContact O-N 2.65Å; E33-Q35 PolarHBondContact O-N 3.16Å; E33-L36 WeakPolarHBondContact O-CB 3.34Å; E33-L36 PolarHBondContact O-N 3.17Å; E33-L36 VanDerWaalsContact O-N 3.09Å; E33-F37 HydrophobicContact CB-CE2 4.06Å; E33-F37 WeakPolarHBondContact O-CD2 3.28Å; E33-F37 WeakPolarHBondContact O-CG 3.39Å; E33-F37 PolarHBondContact O-N 2.62Å; E33-K77 WeakPolarHBondContact OE1-CE 3.39Å; E33-K77 IonicContact OE1-NZ 2.65Å; E33-K77 PolarHBondContact OE1-NZ 3.27Å
34I93.5Very high86.3Confident80 Ų8074.7 Ų74.741%0.4139%0.392SS..Hα-helixtrans-54.1-45.7174.1-69.4163.1000109.6L30 F37 H38L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.02Å; I34-F37 PolarHBondContact O-N 3.09Å; I34-H38 VanDerWaalsContact CG2-CE1 3.45Å; I34-H38 WeakPolarHBondContact CG2-CE1 2.92Å; I34-H38 PolarHBondContact O-N 3.31Å
35Q93.6Very high88.5Confident21 Ų2172.3 Ų72.310%0.09837%0.365CS..Hα-helixtrans-69.2-34.6178.7-169.758.415.700113.4E31 E33 H38 A39 L60 F64E31-Q35 WeakPolarHBondContact O-CB 3.44Å; E31-Q35 PolarHBondContact O-N 2.89Å; E33-Q35 PolarHBondContact O-N 3.16Å; Q35-H38 PolarHBondContact O-N 3.21Å; Q35-A39 WeakPolarHBondContact O-CB 3.43Å; Q35-A39 PolarHBondContact O-N 2.95Å; Q35-L60 VanDerWaalsContact CG-O 3.23Å; Q35-L60 WeakPolarHBondContact CG-O 3.43Å; Q35-L60 PolarHBondContact NE2-O 3.42Å; Q35-F64 HydrophobicContact CG-CB 4.28Å; Q35-F64 HydrophobicContact CG-CD2 3.8Å; Q35-F64 HydrophobicContact CG-CG 4.32Å
36L94.4Very high90.5Very high1 Ų164.1 Ų64.11%0.00532%0.323CS..Hα-helixtrans-60.2-45.4170.5177.364.3000111.1W28 S32 E33 A39 I40 V57 V61 I74 K77 L78W28-L36 HydrophobicContact CH2-CD2 3.85Å; W28-L36 HydrophobicContact CZ3-CB 4.08Å; W28-L36 HydrophobicContact CZ3-CD2 3.83Å; W28-L36 HydrophobicContact CZ3-CG 4.45Å; S32-L36 WeakPolarHBondContact O-CB 2.99Å; S32-L36 PolarHBondContact O-N 2.91Å; E33-L36 WeakPolarHBondContact O-CB 3.34Å; E33-L36 PolarHBondContact O-N 3.17Å; E33-L36 VanDerWaalsContact O-N 3.09Å; L36-A39 PolarHBondContact O-N 2.9Å; L36-A39 VanDerWaalsContact O-N 3.16Å; L36-I40 HydrophobicContact CD1-CG2 4.13Å; L36-I40 PolarHBondContact O-N 3.37Å; L36-V57 HydrophobicContact CD1-CG1 3.71Å; L36-V61 HydrophobicContact CB-CG2 4.13Å; L36-V61 HydrophobicContact CD1-CG2 4.16Å; L36-I74 HydrophobicContact CD1-CG2 3.72Å; L36-K77 HydrophobicContact CD2-CG 4.09Å; L36-L78 HydrophobicContact CD1-CD2 4.37Å; L36-L78 HydrophobicContact CD2-CD2 4.22Å; L36-L78 HydrophobicContact CG-CD2 4.46Å
37F94.8Very high91.8Very high73 Ų7359.3 Ų59.332%0.3230%0.298SS..Hα-helixtrans-64.1-41.8178.1-63.8-53000112E33 I34 A39 I40 L41 L81E33-F37 HydrophobicContact CB-CE2 4.06Å; E33-F37 WeakPolarHBondContact O-CD2 3.28Å; E33-F37 WeakPolarHBondContact O-CG 3.39Å; E33-F37 PolarHBondContact O-N 2.62Å; I34-F37 PolarHBondContact O-N 3.09Å; F37-A39 VanDerWaalsContact C-N 3.3Å; F37-A39 PolarHBondContact O-N 3.39Å; F37-I40 HydrophobicContact CD1-CD1 4.08Å; F37-I40 WeakPolarHBondContact O-CG1 3.28Å; F37-L41 VanDerWaalsContact O-CG 3.3Å; F37-L41 WeakPolarHBondContact O-CG 3.33Å; F37-L41 PolarHBondContact O-N 3.43Å; F37-L81 HydrophobicContact CE1-CD1 4.05Å; F37-L81 HydrophobicContact CZ-CD1 3.99Å
38H94.8Very high92.4Very high98 Ų9859 Ų5945%0.45430%0.304SS..Hα-helixtrans-61.6-36.5171.7-65.8158.6000112.9I34 Q35 N42I34-H38 VanDerWaalsContact CG2-CE1 3.45Å; I34-H38 WeakPolarHBondContact CG2-CE1 2.92Å; I34-H38 PolarHBondContact O-N 3.31Å; Q35-H38 PolarHBondContact O-N 3.21Å; H38-N42 PolarHBondContact O-ND2 3.22Å
39A95.5Very high92.7Very high0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-69.8-47.4179.900000112.4Q35 L36 F37 L41 N42 H43 V57 L60 V61Q35-A39 WeakPolarHBondContact O-CB 3.43Å; Q35-A39 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 2.9Å; L36-A39 VanDerWaalsContact O-N 3.16Å; F37-A39 VanDerWaalsContact C-N 3.3Å; F37-A39 PolarHBondContact O-N 3.39Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 2.99Å; A39-N42 PolarHBondContact O-N 3.49Å; A39-N42 VanDerWaalsContact O-N 3.13Å; A39-H43 PolarHBondContact O-N 3.02Å; A39-V57 HydrophobicContact CB-CB 4.41Å; A39-V57 HydrophobicContact CB-CG1 4.01Å; A39-V57 HydrophobicContact CB-CG2 4.4Å; A39-L60 HydrophobicContact CB-CB 4.16Å; A39-L60 HydrophobicContact CB-CD2 3.77Å; A39-L60 HydrophobicContact CB-CG 4Å; A39-V61 HydrophobicContact CB-CG2 4.44Å
40I94.9Very high93Very high25 Ų2560 Ų6013%0.12831%0.305CS..Hα-helixtrans-69.9-22.3-177.966.5178.1000114L36 F37 N42 H43 P45 V57 L78 Y82L36-I40 HydrophobicContact CD1-CG2 4.13Å; L36-I40 PolarHBondContact O-N 3.37Å; F37-I40 HydrophobicContact CD1-CD1 4.08Å; F37-I40 WeakPolarHBondContact O-CG1 3.28Å; I40-N42 PolarHBondContact O-N 3.46Å; I40-H43 WeakPolarHBondContact CA-O 3.45Å; I40-P45 HydrophobicContact CG2-CG 4.06Å; I40-V57 HydrophobicContact CG2-CG1 4.27Å; I40-V57 HydrophobicContact CG2-CG2 4.29Å; I40-L78 HydrophobicContact CD1-CD2 4.26Å; I40-L78 HydrophobicContact CG2-CD2 4.07Å; I40-Y82 HydrophobicContact CD1-CE2 3.95Å
41L93.8Very high93.2Very high142 Ų14259.6 Ų59.674%0.74330%0.3SS*.Hα-helixtrans-64.5-30.2171.8-75.8170.3000112.5F37 A39F37-L41 VanDerWaalsContact O-CG 3.3Å; F37-L41 WeakPolarHBondContact O-CG 3.33Å; F37-L41 PolarHBondContact O-N 3.43Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 2.99Å
42N93.2Very high93.4Very high123 Ų12360.2 Ų60.266%0.65830%0.301SS*.Hα-helixtrans-98.9-34.1180-65.7-76000112.4H38 A39 I40H38-N42 PolarHBondContact O-ND2 3.22Å; A39-N42 PolarHBondContact O-N 3.49Å; A39-N42 VanDerWaalsContact O-N 3.13Å; I40-N42 PolarHBondContact O-N 3.46Å
43H94.7Very high93.6Very high47 Ų4762.2 Ų62.222%0.21831%0.31CS..SBendtrans-123.497.2-176.4-68.3-71.9000110.6A39 I40 P45 Q53 Y56 V57A39-H43 PolarHBondContact O-N 3.02Å; I40-H43 WeakPolarHBondContact CA-O 3.45Å; H43-P45 VanDerWaalsContact O-CD 3.26Å; H43-P45 WeakPolarHBondContact O-CD 3.47Å; H43-Q53 PolarHBondContact ND1-OE1 2.88Å; H43-Y56 AromaticContact CE1-CG 3.65Å; H43-Y56 WeakPolarHBondContact ND1-CB 3.43Å; H43-Y56 AromaticContact ND1-CD2 3.95Å; H43-Y56 AromaticContact ND1-CG 3.82Å; H43-V57 HydrophobicContact CB-CG2 3.69Å; H43-V57 WeakPolarHBondContact O-CG2 3.43Å
44K92.8Very high93.8Very high102 Ų10260 Ų6044%0.44330%0.3SS..  trans-66.9116.9-179.1-63.4-17971-109.80110.3V46 Q53 E91K44-V46 HydrophobicContact CB-CG2 4Å; K44-V46 PolarHBondContact O-N 3.07Å; K44-Q53 WeakPolarHBondContact O-CB 3.39Å; K44-Q53 WeakPolarHBondContact O-CG 3.38Å; K44-E91 IonicContact NZ-OE1 2.63Å; K44-E91 PolarHBondContact NZ-OE1 3.1Å; K44-E91 IonicContact NZ-OE2 2.61Å; K44-E91 PolarHBondContact NZ-OE2 3.35Å
45P92.9Very high93.9Very high13 Ų1360.4 Ų60.48%0.08430%0.302CS..SBendtrans-78.832.9-176.932.9-35.6000113.4I40 H43 M54 W75 L78 M84I40-P45 HydrophobicContact CG2-CG 4.06Å; H43-P45 VanDerWaalsContact O-CD 3.26Å; H43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-M54 HydrophobicContact CB-CE 3.62Å; P45-W75 WeakPolarHBondContact O-CH2 3.49Å; P45-W75 WeakPolarHBondContact O-CZ3 3.4Å; P45-L78 HydrophobicContact CB-CD1 3.98Å; P45-L78 HydrophobicContact CG-CD1 3.85Å; P45-M84 HydrophobicContact CB-CE 4.22Å; P45-M84 HydrophobicContact CG-CE 4.07Å; P45-M84 WeakPolarHBondContact O-CE 3.38Å
46V92.9Very high93.9Very high10 Ų1065.6 Ų65.66%0.06132%0.322CS..  trans-137-176.9-170.8-78.60000110.8K44 R50 M84 L87 E91K44-V46 HydrophobicContact CB-CG2 4Å; K44-V46 PolarHBondContact O-N 3.07Å; V46-R50 WeakPolarHBondContact O-CA 3.34Å; V46-R50 WeakPolarHBondContact O-CB 3.49Å; V46-R50 PolarHBondContact O-N 3.45Å; V46-M84 HydrophobicContact CG1-CE 3.79Å; V46-L87 HydrophobicContact CG1-CB 3.79Å; V46-E91 VanDerWaalsContact CG2-OE2 3.25Å; V46-E91 WeakPolarHBondContact CG2-OE2 3.43Å
47G91Very high94Very high3 Ų365.5 Ų65.53%0.03132%0.322CS..SBendtrans74-164.6-17800000115.8H88 E91G47-H88 PolarHBondContact N-ND1 3.26Å; G47-H88 PolarHBondContact O-CE1 3.26Å; G47-H88 PolarHBondContact O-ND1 2.98Å; G47-E91 WeakPolarHBondContact CA-OE2 3.32Å; G47-E91 PolarHBondContact N-OE2 2.99Å; G47-E91 VanDerWaalsContact N-OE2 3.07Å
48A89.2Confident94Very high79 Ų7962.6 Ų62.665%0.65331%0.31SS*.THydrogen-bonded Turntrans-71.9-29.7-17300000113.4
49D91.9Very high94Very high68 Ų6862.7 Ų62.736%0.36431%0.314SS..THydrogen-bonded Turntrans-104.514.2-178.764.3-43.1000113.1H51 F52 Q53D49-H51 PolarHBondContact O-N 3.41Å; D49-F52 HydrophobicContact CB-CD2 4.2Å; D49-F52 WeakPolarHBondContact O-CA 3.47Å; D49-F52 WeakPolarHBondContact O-CB 3.46Å; D49-F52 PolarHBondContact O-N 3.38Å; D49-Q53 PolarHBondContact O-N 3.1Å; D49-Q53 WeakPolarHBondContact OD2-CG 3.39Å; D49-Q53 PolarHBondContact OD2-NE2 3.12Å
50R93.5Very high93.9Very high82 Ų8265.1 Ų65.131%0.30933%0.327SS..Hα-helixtrans-43.7-36.3-178.269.5-179.6179.2-103.2-8.7115.1V46 M54 W75 H88V46-R50 WeakPolarHBondContact O-CA 3.34Å; V46-R50 WeakPolarHBondContact O-CB 3.49Å; V46-R50 PolarHBondContact O-N 3.45Å; R50-M54 VanDerWaalsContact O-CB 3.24Å; R50-M54 WeakPolarHBondContact O-CB 3.33Å; R50-M54 PolarHBondContact O-N 3.31Å; R50-W75 HydrophobicContact CB-CH2 4.25Å; R50-W75 HydrophobicContact CG-CH2 4.34Å; R50-H88 PolarHBondContact NH1-CE1 2.92Å; R50-H88 PolarHBondContact NH1-NE2 2.76Å
51H95.9Very high93.8Very high107 Ų10764 Ų6450%0.49532%0.321SS..Hα-helixtrans-74.4-31.4-179.3-63.4-53.3000112.5D49 I55 W75D49-H51 PolarHBondContact O-N 3.41Å; H51-I55 WeakPolarHBondContact O-CG1 3.23Å; H51-I55 PolarHBondContact O-N 3.36Å; H51-W75 AromaticContact ND1-CZ2 3.97Å
52F94.8Very high93.8Very high144 Ų14459.6 Ų59.663%0.63230%0.298SS*.Hα-helixtrans-74.7-44171.4-62-71.4000111D49 M54 I55 Y56D49-F52 HydrophobicContact CB-CD2 4.2Å; D49-F52 WeakPolarHBondContact O-CA 3.47Å; D49-F52 WeakPolarHBondContact O-CB 3.46Å; D49-F52 PolarHBondContact O-N 3.38Å; F52-M54 VanDerWaalsContact C-N 3.26Å; F52-M54 PolarHBondContact O-N 3.46Å; F52-I55 WeakPolarHBondContact O-CB 3.3Å; F52-I55 PolarHBondContact O-N 3.31Å; F52-Y56 WeakPolarHBondContact O-CD2 3.37Å; F52-Y56 PolarHBondContact O-N 3.3Å
53Q95.1Very high93.7Very high41 Ų4157.2 Ų57.219%0.19229%0.291CS..Hα-helixtrans-58.1-40.5174.5-62.2-61.8-15.700111.6H43 K44 D49 I55 Y56 V57H43-Q53 PolarHBondContact ND1-OE1 2.88Å; K44-Q53 WeakPolarHBondContact O-CB 3.39Å; K44-Q53 WeakPolarHBondContact O-CG 3.38Å; D49-Q53 PolarHBondContact O-N 3.1Å; D49-Q53 WeakPolarHBondContact OD2-CG 3.39Å; D49-Q53 PolarHBondContact OD2-NE2 3.12Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-I55 PolarHBondContact O-N 2.94Å; Q53-Y56 WeakPolarHBondContact O-CB 3.49Å; Q53-Y56 PolarHBondContact O-N 3.44Å; Q53-Y56 VanDerWaalsContact O-N 3.11Å; Q53-V57 WeakPolarHBondContact O-CG2 3.46Å; Q53-V57 PolarHBondContact O-N 2.97Å
54M95.7Very high93.1Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-62.5-33.3175.2-175.155.266.800113.8P45 R50 F52 Y56 V57 C58 T71 I74 W75 L78P45-M54 HydrophobicContact CB-CE 3.62Å; R50-M54 VanDerWaalsContact O-CB 3.24Å; R50-M54 WeakPolarHBondContact O-CB 3.33Å; R50-M54 PolarHBondContact O-N 3.31Å; F52-M54 VanDerWaalsContact C-N 3.26Å; F52-M54 PolarHBondContact O-N 3.46Å; M54-Y56 VanDerWaalsContact C-N 3.31Å; M54-Y56 PolarHBondContact O-N 2.93Å; M54-V57 PolarHBondContact O-N 3.46Å; M54-V57 HydrophobicContact SD-CB 4.19Å; M54-V57 HydrophobicContact SD-CG1 4.31Å; M54-C58 VanDerWaalsContact O-CB 3.23Å; M54-C58 WeakPolarHBondContact O-CB 3.34Å; M54-C58 PolarHBondContact O-N 3.06Å; M54-T71 HydrophobicContact CG-CG2 3.44Å; M54-T71 VanDerWaalsContact CG-CG2 3.44Å; M54-T71 HydrophobicContact SD-CG2 4.32Å; M54-I74 HydrophobicContact CE-CG2 4.06Å; M54-I74 HydrophobicContact SD-CB 4.09Å; M54-I74 HydrophobicContact SD-CG2 3.6Å; M54-W75 HydrophobicContact CB-CH2 4.4Å; M54-W75 HydrophobicContact CB-CZ2 3.65Å; M54-W75 HydrophobicContact CE-CD2 3.67Å; M54-W75 HydrophobicContact CE-CE3 3.82Å; M54-W75 HydrophobicContact CE-CG 4.33Å; M54-W75 HydrophobicContact CE-CH2 3.75Å; M54-W75 HydrophobicContact CE-CZ2 3.61Å; M54-W75 HydrophobicContact CE-CZ3 3.87Å; M54-W75 HydrophobicContact CG-CZ2 3.7Å; M54-L78 HydrophobicContact CE-CD1 3.54Å
55I95.4Very high92.6Very high90 Ų9058.6 Ų58.646%0.46230%0.299SS..Hα-helixtrans-63.4-41.2173.9-67.5163.8000110H51 F52 Q53 C58 N59H51-I55 WeakPolarHBondContact O-CG1 3.23Å; H51-I55 PolarHBondContact O-N 3.36Å; F52-I55 WeakPolarHBondContact O-CB 3.3Å; F52-I55 PolarHBondContact O-N 3.31Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-I55 PolarHBondContact O-N 2.94Å; I55-C58 PolarHBondContact O-N 2.91Å; I55-N59 WeakPolarHBondContact O-CB 3.34Å; I55-N59 PolarHBondContact O-N 3.43Å; I55-N59 PolarHBondContact O-ND2 2.9Å
56Y95.5Very high92Very high129 Ų12963.2 Ų63.251%0.50633%0.332SS..Hα-helixtrans-65.1-44.9174.6-66-72.1000112.4H43 F52 Q53 M54 C58 N59 L60H43-Y56 AromaticContact CE1-CG 3.65Å; H43-Y56 WeakPolarHBondContact ND1-CB 3.43Å; H43-Y56 AromaticContact ND1-CD2 3.95Å; H43-Y56 AromaticContact ND1-CG 3.82Å; F52-Y56 WeakPolarHBondContact O-CD2 3.37Å; F52-Y56 PolarHBondContact O-N 3.3Å; Q53-Y56 WeakPolarHBondContact O-CB 3.49Å; Q53-Y56 PolarHBondContact O-N 3.44Å; Q53-Y56 VanDerWaalsContact O-N 3.11Å; M54-Y56 VanDerWaalsContact C-N 3.31Å; M54-Y56 PolarHBondContact O-N 2.93Å; Y56-C58 PolarHBondContact O-N 2.92Å; Y56-N59 PolarHBondContact O-N 3.02Å; Y56-L60 VanDerWaalsContact O-CB 3.26Å; Y56-L60 WeakPolarHBondContact O-CB 3.38Å; Y56-L60 PolarHBondContact O-N 3.31Å
57V95.6Very high91.6Very high0 Ų068.2 Ų68.20%036%0.358CS..Hα-helixtrans-57.4-48.5174.7174.60000110.9L36 A39 I40 H43 Q53 M54 N59 L60 V61 I74L36-V57 HydrophobicContact CD1-CG1 3.71Å; A39-V57 HydrophobicContact CB-CB 4.41Å; A39-V57 HydrophobicContact CB-CG1 4.01Å; A39-V57 HydrophobicContact CB-CG2 4.4Å; I40-V57 HydrophobicContact CG2-CG1 4.27Å; I40-V57 HydrophobicContact CG2-CG2 4.29Å; H43-V57 HydrophobicContact CB-CG2 3.69Å; H43-V57 WeakPolarHBondContact O-CG2 3.43Å; Q53-V57 WeakPolarHBondContact O-CG2 3.46Å; Q53-V57 PolarHBondContact O-N 2.97Å; M54-V57 PolarHBondContact O-N 3.46Å; M54-V57 HydrophobicContact SD-CB 4.19Å; M54-V57 HydrophobicContact SD-CG1 4.31Å; V57-N59 PolarHBondContact O-N 3.16Å; V57-L60 PolarHBondContact O-N 3.27Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.38Å; V57-V61 PolarHBondContact O-N 2.98Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å
58C94.7Very high91.5Very high11 Ų1173.6 Ų73.67%0.07439%0.393CS..Hα-helixtrans-60.6-44.1179.6-1700000112.5M54 I55 Y56 L60 N62 T71 I74M54-C58 VanDerWaalsContact O-CB 3.23Å; M54-C58 WeakPolarHBondContact O-CB 3.34Å; M54-C58 PolarHBondContact O-N 3.06Å; I55-C58 PolarHBondContact O-N 2.91Å; Y56-C58 PolarHBondContact O-N 2.92Å; C58-L60 VanDerWaalsContact C-N 3.34Å; C58-N62 VanDerWaalsContact O-CB 3.32Å; C58-N62 WeakPolarHBondContact O-CB 3.25Å; C58-N62 VanDerWaalsContact O-CG 3.31Å; C58-N62 PolarHBondContact O-N 3.49Å; C58-N62 PolarHBondContact O-ND2 3.03Å; C58-T71 PolarHBondContact SG-OG1 3.11Å; C58-T71 VanDerWaalsContact SG-OG1 3.37Å; C58-I74 VanDerWaalsContact CA-CD1 3.49Å; C58-I74 HydrophobicContact CB-CD1 3.71Å
59N94.7Very high91.6Very high101 Ų10170 Ų7054%0.5436%0.363SS..Hα-helixtrans-64.1-39.4176.2-70.5-21.5000112I55 Y56 V57 S63I55-N59 WeakPolarHBondContact O-CB 3.34Å; I55-N59 PolarHBondContact O-N 3.43Å; I55-N59 PolarHBondContact O-ND2 2.9Å; Y56-N59 PolarHBondContact O-N 3.02Å; V57-N59 PolarHBondContact O-N 3.16Å; N59-S63 PolarHBondContact O-N 3.34Å; N59-S63 VanDerWaalsContact O-N 3.1Å
60L93.6Very high91.7Very high51 Ų5169.4 Ų69.427%0.26736%0.363SS..Hα-helixtrans-78.1-24.7-176.1-176.155.5000113.3Q35 A39 Y56 V57 C58 S63 F64Q35-L60 VanDerWaalsContact CG-O 3.23Å; Q35-L60 WeakPolarHBondContact CG-O 3.43Å; Q35-L60 PolarHBondContact NE2-O 3.42Å; A39-L60 HydrophobicContact CB-CB 4.16Å; A39-L60 HydrophobicContact CB-CD2 3.77Å; A39-L60 HydrophobicContact CB-CG 4Å; Y56-L60 VanDerWaalsContact O-CB 3.26Å; Y56-L60 WeakPolarHBondContact O-CB 3.38Å; Y56-L60 PolarHBondContact O-N 3.31Å; V57-L60 PolarHBondContact O-N 3.27Å; C58-L60 VanDerWaalsContact C-N 3.34Å; L60-S63 PolarHBondContact O-OG 2.89Å; L60-S63 VanDerWaalsContact O-OG 3.11Å; L60-F64 HydrophobicContact CD1-CE2 4.05Å; L60-F64 WeakPolarHBondContact O-CD2 3.26Å
61V93.2Very high91.7Very high0 Ų067.8 Ų67.80%036%0.363CS..Hα-helixtrans-73.7-49.7167.1173.80000110L36 A39 V57 S63 F64 V65 I69L36-V61 HydrophobicContact CB-CG2 4.13Å; L36-V61 HydrophobicContact CD1-CG2 4.16Å; A39-V61 HydrophobicContact CB-CG2 4.44Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.38Å; V57-V61 PolarHBondContact O-N 2.98Å; V61-S63 PolarHBondContact O-N 2.67Å; V61-S63 VanDerWaalsContact O-N 3.12Å; V61-F64 PolarHBondContact O-N 3.25Å; V61-V65 HydrophobicContact CG1-CG2 4.17Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 3.29Å; V61-I69 HydrophobicContact CG1-CD1 3.9Å
62N93Very high91.6Very high50 Ų5067.6 Ų67.627%0.26737%0.365SS..THydrogen-bonded Turntrans-71.4-4.6-177-68.9-24.7000114.7C58 I69C58-N62 VanDerWaalsContact O-CB 3.32Å; C58-N62 WeakPolarHBondContact O-CB 3.25Å; C58-N62 VanDerWaalsContact O-CG 3.31Å; C58-N62 PolarHBondContact O-N 3.49Å; C58-N62 PolarHBondContact O-ND2 3.03Å; N62-I69 PolarHBondContact ND2-O 3.45Å; N62-I69 PolarHBondContact OD1-N 3.35Å
63S91.1Very high91.6Very high74 Ų7462.6 Ų62.652%0.51735%0.345SS..THydrogen-bonded Turntrans-83.1-13.6173.761.90000114.4N59 L60 V61N59-S63 PolarHBondContact O-N 3.34Å; N59-S63 VanDerWaalsContact O-N 3.1Å; L60-S63 PolarHBondContact O-OG 2.89Å; L60-S63 VanDerWaalsContact O-OG 3.11Å; V61-S63 PolarHBondContact O-N 2.67Å; V61-S63 VanDerWaalsContact O-N 3.12Å
64F82.4Confident91.6Very high146 Ų14660.7 Ų60.764%0.6434%0.336SS*.THydrogen-bonded Turntrans-119.9-22.1-179.2-64.1-89.8000113.6Q35 L60 V61Q35-F64 HydrophobicContact CG-CB 4.28Å; Q35-F64 HydrophobicContact CG-CD2 3.8Å; Q35-F64 HydrophobicContact CG-CG 4.32Å; L60-F64 HydrophobicContact CD1-CE2 4.05Å; L60-F64 WeakPolarHBondContact O-CD2 3.26Å; V61-F64 PolarHBondContact O-N 3.25Å
65V82.8Confident91.5Very high31 Ų3163.8 Ų63.819%0.18835%0.348CS..  trans-90139.9179.2-172.80000109.8S32 V61 D67S32-V65 VanDerWaalsContact CB-CG2 3.46Å; V61-V65 HydrophobicContact CG1-CG2 4.17Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 3.29Å; V65-D67 WeakPolarHBondContact CG1-O 3.33Å
66S79.6Confident91.5Very high110 Ų11066 Ų6677%0.76935%0.354SS*.SBendtrans-70.4-35.817852.80000113.2
67D84.6Confident91.4Very high116 Ų11661.3 Ų61.362%0.6234%0.336SS*.SBendtrans-98.5124.7-177-59.2-32.6000109.6V65 I69V65-D67 WeakPolarHBondContact CG1-O 3.33Å; D67-I69 PolarHBondContact O-N 3.18Å
68P88.6Confident91.3Very high115 Ų11561.3 Ų61.375%0.74734%0.337SS*.PPolyproline II helixtrans-72.6116.6-174.828.1-34.1000111.2
69I91.7Very high91.3Very high5 Ų563.1 Ų63.13%0.02636%0.357CS..PPolyproline II helixtrans-81.8131.3176.3-54.7-173.8000109.1V27 W28 V61 N62 D67 D73 I74V27-I69 HydrophobicContact CG1-CG1 4.35Å; W28-I69 HydrophobicContact CE3-CD1 4.09Å; W28-I69 HydrophobicContact CH2-CD1 4.08Å; W28-I69 HydrophobicContact CH2-CG2 4.08Å; W28-I69 HydrophobicContact CZ2-CD1 4.49Å; W28-I69 HydrophobicContact CZ2-CG2 3.93Å; W28-I69 HydrophobicContact CZ3-CD1 3.86Å; V61-I69 HydrophobicContact CG1-CD1 3.9Å; N62-I69 PolarHBondContact ND2-O 3.45Å; N62-I69 PolarHBondContact OD1-N 3.35Å; D67-I69 PolarHBondContact O-N 3.18Å; I69-D73 HydrophobicContact CG2-CB 4.04Å; I69-I74 HydrophobicContact CG2-CG1 3.83Å
70S93.5Very high91.2Very high54 Ų5463.2 Ų63.238%0.37837%0.365SS..PPolyproline II helixtrans-72144.5175.2-175.90000110.9D72 D73 I74S70-D72 PolarHBondContact O-N 2.93Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-N 3.37Å; S70-D73 WeakPolarHBondContact CB-OD2 3.12Å; S70-D73 PolarHBondContact O-N 2.99Å; S70-I74 PolarHBondContact O-N 3.07Å
71T94.4Very high91.2Very high48 Ų4864.8 Ų64.829%0.29437%0.374SS..Hα-helixtrans-50.7-35.9171.5-55.80000112.7M54 C58 D73 I74 W75M54-T71 HydrophobicContact CG-CG2 3.44Å; M54-T71 VanDerWaalsContact CG-CG2 3.44Å; M54-T71 HydrophobicContact SD-CG2 4.32Å; C58-T71 PolarHBondContact SG-OG1 3.11Å; C58-T71 VanDerWaalsContact SG-OG1 3.37Å; T71-D73 VanDerWaalsContact C-N 3.32Å; T71-D73 PolarHBondContact O-N 3.34Å; T71-I74 PolarHBondContact O-N 2.86Å; T71-W75 PolarHBondContact O-N 2.85Å
72D94.5Very high91.2Very high103 Ų10369.5 Ų69.555%0.55139%0.392SS*.Hα-helixtrans-65.7-33.8178-63.7-28.8000112.8S70 W75 K76S70-D72 PolarHBondContact O-N 2.93Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-N 3.37Å; D72-W75 PolarHBondContact O-N 3.25Å; D72-K76 VanDerWaalsContact O-CG 3.28Å; D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 2.61Å
73D93.7Very high91.3Very high40 Ų4071.2 Ų71.221%0.21440%0.402CS..Hα-helixtrans-77.1-32.5179-60-44.7000111I69 S70 T71 K76 K77I69-D73 HydrophobicContact CG2-CB 4.04Å; S70-D73 WeakPolarHBondContact CB-OD2 3.12Å; S70-D73 PolarHBondContact O-N 2.99Å; T71-D73 VanDerWaalsContact C-N 3.32Å; T71-D73 PolarHBondContact O-N 3.34Å; D73-K76 PolarHBondContact O-N 2.93Å; D73-K76 IonicContact OD1-NZ 2.67Å; D73-K76 PolarHBondContact OD1-NZ 3.45Å; D73-K77 WeakPolarHBondContact O-CB 3.47Å; D73-K77 PolarHBondContact O-N 3.07Å
74I94.3Very high91.4Very high0 Ų069.3 Ų69.30%039%0.385CS..Hα-helixtrans-61.5-46.8169-53.8178.5000110.4W28 L36 M54 V57 C58 I69 S70 T71 K76 K77 L78W28-I74 HydrophobicContact CH2-CB 4.48Å; W28-I74 HydrophobicContact CH2-CG1 4.01Å; W28-I74 HydrophobicContact CZ2-CG1 4.31Å; L36-I74 HydrophobicContact CD1-CG2 3.72Å; M54-I74 HydrophobicContact CE-CG2 4.06Å; M54-I74 HydrophobicContact SD-CB 4.09Å; M54-I74 HydrophobicContact SD-CG2 3.6Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å; C58-I74 VanDerWaalsContact CA-CD1 3.49Å; C58-I74 HydrophobicContact CB-CD1 3.71Å; I69-I74 HydrophobicContact CG2-CG1 3.83Å; S70-I74 PolarHBondContact O-N 3.07Å; T71-I74 PolarHBondContact O-N 2.86Å; I74-K76 PolarHBondContact O-N 3.2Å; I74-K77 PolarHBondContact O-N 2.89Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CB 3.24Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.39Å
75W95.4Very high91.9Very high65 Ų6569.8 Ų69.825%0.24639%0.389CS..Hα-helixtrans-59.3-44174.7-76.3116000112.6P45 R50 H51 M54 T71 D72 L78 G79 M84P45-W75 WeakPolarHBondContact O-CH2 3.49Å; P45-W75 WeakPolarHBondContact O-CZ3 3.4Å; R50-W75 HydrophobicContact CB-CH2 4.25Å; R50-W75 HydrophobicContact CG-CH2 4.34Å; H51-W75 AromaticContact ND1-CZ2 3.97Å; M54-W75 HydrophobicContact CB-CH2 4.4Å; M54-W75 HydrophobicContact CB-CZ2 3.65Å; M54-W75 HydrophobicContact CE-CD2 3.67Å; M54-W75 HydrophobicContact CE-CE3 3.82Å; M54-W75 HydrophobicContact CE-CG 4.33Å; M54-W75 HydrophobicContact CE-CH2 3.75Å; M54-W75 HydrophobicContact CE-CZ2 3.61Å; M54-W75 HydrophobicContact CE-CZ3 3.87Å; M54-W75 HydrophobicContact CG-CZ2 3.7Å; T71-W75 PolarHBondContact O-N 2.85Å; D72-W75 PolarHBondContact O-N 3.25Å; W75-L78 PolarHBondContact O-N 2.89Å; W75-G79 PolarHBondContact O-N 3.13Å; W75-M84 HydrophobicContact CE3-CE 4.15Å; W75-M84 HydrophobicContact CZ3-CE 3.61Å
76K94.1Very high92.4Very high137 Ų13774.4 Ų74.460%0.59641%0.409SS*.Hα-helixtrans-61.2-45176.5-69.2166.1-1531620111.9D72 D73 I74 G79 S80D72-K76 VanDerWaalsContact O-CG 3.28Å; D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 2.61Å; D73-K76 PolarHBondContact O-N 2.93Å; D73-K76 IonicContact OD1-NZ 2.67Å; D73-K76 PolarHBondContact OD1-NZ 3.45Å; I74-K76 PolarHBondContact O-N 3.2Å; K76-G79 PolarHBondContact O-N 2.86Å; K76-S80 WeakPolarHBondContact O-CB 3.45Å; K76-S80 PolarHBondContact O-N 3.11Å
77K93.7Very high93Very high30 Ų3072.4 Ų72.413%0.1339%0.389CS..Hα-helixtrans-64.5-44.9179.4-166.966.9162.5-1670111.1D26 W28 E33 L36 D73 I74 S80 L81D26-K77 IonicContact OD2-NZ 3.16Å; D26-K77 PolarHBondContact OD2-NZ 3.12Å; D26-K77 VanDerWaalsContact OD2-NZ 3.16Å; W28-K77 HydrophobicContact CD2-CB 4.33Å; W28-K77 HydrophobicContact CD2-CD 4.01Å; W28-K77 HydrophobicContact CD2-CG 3.86Å; W28-K77 HydrophobicContact CE3-CG 4.38Å; W28-K77 HydrophobicContact CG-CD 3.85Å; W28-K77 HydrophobicContact CG-CG 4.26Å; W28-K77 HydrophobicContact CH2-CB 4.26Å; W28-K77 HydrophobicContact CH2-CG 4.39Å; W28-K77 HydrophobicContact CZ2-CB 3.5Å; W28-K77 HydrophobicContact CZ2-CG 3.89Å; E33-K77 WeakPolarHBondContact OE1-CE 3.39Å; E33-K77 IonicContact OE1-NZ 2.65Å; E33-K77 PolarHBondContact OE1-NZ 3.27Å; L36-K77 HydrophobicContact CD2-CG 4.09Å; D73-K77 WeakPolarHBondContact O-CB 3.47Å; D73-K77 PolarHBondContact O-N 3.07Å; I74-K77 PolarHBondContact O-N 2.89Å; K77-S80 WeakPolarHBondContact O-CB 3.44Å; K77-S80 PolarHBondContact O-N 3.3Å; K77-L81 HydrophobicContact CG-CD1 4.15Å; K77-L81 WeakPolarHBondContact O-CG 3.35Å; K77-L81 PolarHBondContact O-N 3.2Å; K77-L81 VanDerWaalsContact O-N 3.12Å
78L94.8Very high93.3Very high1 Ų169.9 Ų69.91%0.00537%0.373CS..Hα-helixtrans-63.3-42.4175.8-69.7172.1000112.4L36 I40 P45 M54 I74 W75 S80 L81 Y82 M84L36-L78 HydrophobicContact CD1-CD2 4.37Å; L36-L78 HydrophobicContact CD2-CD2 4.22Å; L36-L78 HydrophobicContact CG-CD2 4.46Å; I40-L78 HydrophobicContact CD1-CD2 4.26Å; I40-L78 HydrophobicContact CG2-CD2 4.07Å; P45-L78 HydrophobicContact CB-CD1 3.98Å; P45-L78 HydrophobicContact CG-CD1 3.85Å; M54-L78 HydrophobicContact CE-CD1 3.54Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CB 3.24Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.39Å; W75-L78 PolarHBondContact O-N 2.89Å; L78-S80 PolarHBondContact O-N 3.13Å; L78-L81 PolarHBondContact O-N 3.44Å; L78-Y82 HydrophobicContact CD2-CD2 4.12Å; L78-Y82 HydrophobicContact CD2-CE2 4.27Å; L78-Y82 PolarHBondContact O-N 3.37Å; L78-M84 HydrophobicContact CB-CE 4.43Å; L78-M84 HydrophobicContact CB-SD 4.05Å
79G94.2Very high93.4Very high49 Ų4971 Ų7151%0.50537%0.373SS..Hα-helixtrans-68.5-18175.200000114.9W75 K76W75-G79 PolarHBondContact O-N 3.13Å; K76-G79 PolarHBondContact O-N 2.86Å
80S92.8Very high93.2Very high102 Ų10274.5 Ų74.571%0.71340%0.398SS*.Hα-helixtrans-81.8-30.9171.2-168.80000112.3K76 K77 L78K76-S80 WeakPolarHBondContact O-CB 3.45Å; K76-S80 PolarHBondContact O-N 3.11Å; K77-S80 WeakPolarHBondContact O-CB 3.44Å; K77-S80 PolarHBondContact O-N 3.3Å; L78-S80 PolarHBondContact O-N 3.13Å
81L92.4Very high93Very high84 Ų8474.6 Ų74.644%0.4439%0.393SS..Hα-helixtrans-95.2-29.2-176.4-65.3173.7000113.8F37 K77 L78F37-L81 HydrophobicContact CE1-CD1 4.05Å; F37-L81 HydrophobicContact CZ-CD1 3.99Å; K77-L81 HydrophobicContact CG-CD1 4.15Å; K77-L81 WeakPolarHBondContact O-CG 3.35Å; K77-L81 PolarHBondContact O-N 3.2Å; K77-L81 VanDerWaalsContact O-N 3.12Å; L78-L81 PolarHBondContact O-N 3.44Å
82Y94.3Very high92.4Very high99 Ų9977.8 Ų77.839%0.38841%0.411SS..SBendtrans-137144.8-171.5-62.5-80.3000111.8I40 L78 M84 L87I40-Y82 HydrophobicContact CD1-CE2 3.95Å; L78-Y82 HydrophobicContact CD2-CD2 4.12Å; L78-Y82 HydrophobicContact CD2-CE2 4.27Å; L78-Y82 PolarHBondContact O-N 3.37Å; Y82-M84 PolarHBondContact O-N 3.43Å; Y82-L87 HydrophobicContact CD1-CD1 4.29Å; Y82-L87 HydrophobicContact CG-CD1 4.31Å
83N94.6Very high91.4Very high87 Ų8775.9 Ų75.947%0.46540%0.401SS..  trans-74.589.8168.3-172.93.3000110.3E85 E86 L87N83-E85 VanDerWaalsContact C-N 3.27Å; N83-E85 PolarHBondContact O-N 2.92Å; N83-E86 HydrophobicContact CB-CB 4.15Å; N83-E86 WeakPolarHBondContact ND2-CB 3.2Å; N83-E86 PolarHBondContact ND2-OE2 2.85Å; N83-E86 PolarHBondContact O-N 3.39Å; N83-L87 WeakPolarHBondContact O-CG 3.23Å; N83-L87 PolarHBondContact O-N 3.34Å; N83-L87 VanDerWaalsContact O-N 3.12Å
84M93.1Very high90.4Very high34 Ų3479.2 Ų79.217%0.16743%0.425CS..Hα-helixtrans-66.3-25.4-173.9-65.8-60.5-70.900114P45 V46 W75 L78 Y82 L87 H88P45-M84 HydrophobicContact CB-CE 4.22Å; P45-M84 HydrophobicContact CG-CE 4.07Å; P45-M84 WeakPolarHBondContact O-CE 3.38Å; V46-M84 HydrophobicContact CG1-CE 3.79Å; W75-M84 HydrophobicContact CE3-CE 4.15Å; W75-M84 HydrophobicContact CZ3-CE 3.61Å; L78-M84 HydrophobicContact CB-CE 4.43Å; L78-M84 HydrophobicContact CB-SD 4.05Å; Y82-M84 PolarHBondContact O-N 3.43Å; M84-L87 HydrophobicContact SD-CD1 4.36Å; M84-H88 WeakPolarHBondContact O-CB 3.36Å; M84-H88 PolarHBondContact O-N 2.98Å; M84-H88 VanDerWaalsContact O-N 3.1Å
85E92.5Very high89.3Confident155 Ų15586.6 Ų86.672%0.72446%0.457SS*.Hα-helixtrans-71.4-50.9177.3-62.3-173.3162.700110.7N83 L87 H88 D89N83-E85 VanDerWaalsContact C-N 3.27Å; N83-E85 PolarHBondContact O-N 2.92Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 2.9Å; E85-H88 WeakPolarHBondContact O-CB 3.41Å; E85-H88 PolarHBondContact O-N 2.8Å; E85-D89 PolarHBondContact O-N 3.06Å
86E93.7Very high88Confident129 Ų12990.3 Ų90.360%0.60348%0.478SS*.Hα-helixtrans-60.4-40.4176.6178.5176.8-172.200112.4N83 H88 D89 S90N83-E86 HydrophobicContact CB-CB 4.15Å; N83-E86 WeakPolarHBondContact ND2-CB 3.2Å; N83-E86 PolarHBondContact ND2-OE2 2.85Å; N83-E86 PolarHBondContact O-N 3.39Å; E86-H88 VanDerWaalsContact C-N 3.34Å; E86-H88 PolarHBondContact O-N 3.06Å; E86-D89 PolarHBondContact O-N 3.36Å; E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 3.37Å; E86-S90 PolarHBondContact O-OG 3.49Å
87L92.9Very high87Confident67 Ų6788.8 Ų88.835%0.35148%0.484SS..Hα-helixtrans-65.9-35.2174.6-68.6176.3000112.5V46 Y82 N83 M84 E85 S90V46-L87 HydrophobicContact CG1-CB 3.79Å; Y82-L87 HydrophobicContact CD1-CD1 4.29Å; Y82-L87 HydrophobicContact CG-CD1 4.31Å; N83-L87 WeakPolarHBondContact O-CG 3.23Å; N83-L87 PolarHBondContact O-N 3.34Å; N83-L87 VanDerWaalsContact O-N 3.12Å; M84-L87 HydrophobicContact SD-CD1 4.36Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 2.9Å; L87-S90 PolarHBondContact O-OG 3.11Å
88H90.8Very high86.4Confident64 Ų6495.8 Ų95.830%0.29652%0.515SS..Hα-helixtrans-66.6-45.1176-178.656.9000111.9G47 R50 M84 E85 E86 S90 E91G47-H88 PolarHBondContact N-ND1 3.26Å; G47-H88 PolarHBondContact O-CE1 3.26Å; G47-H88 PolarHBondContact O-ND1 2.98Å; R50-H88 PolarHBondContact NH1-CE1 2.92Å; R50-H88 PolarHBondContact NH1-NE2 2.76Å; M84-H88 WeakPolarHBondContact O-CB 3.36Å; M84-H88 PolarHBondContact O-N 2.98Å; M84-H88 VanDerWaalsContact O-N 3.1Å; E85-H88 WeakPolarHBondContact O-CB 3.41Å; E85-H88 PolarHBondContact O-N 2.8Å; E86-H88 VanDerWaalsContact C-N 3.34Å; E86-H88 PolarHBondContact O-N 3.06Å; H88-S90 VanDerWaalsContact C-N 3.34Å; H88-E91 WeakPolarHBondContact O-CB 3.5Å; H88-E91 PolarHBondContact O-N 3.33Å
89D89.2Confident85.9Confident137 Ų137105.3 Ų105.373%0.73356%0.561SS**Hα-helixtrans-71.4-28.4-179.6-72.7-8.4000112.8E85 E86 E91E85-D89 PolarHBondContact O-N 3.06Å; E86-D89 PolarHBondContact O-N 3.36Å; D89-E91 PolarHBondContact O-N 2.97Å
90S89.3Confident85.5Confident80 Ų80111.1 Ų111.156%0.55957%0.573SS**THydrogen-bonded Turntrans-71.9-12.4175.576.90000114.6E86 L87 H88 V92E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 3.37Å; E86-S90 PolarHBondContact O-OG 3.49Å; L87-S90 PolarHBondContact O-OG 3.11Å; H88-S90 VanDerWaalsContact C-N 3.34Å; S90-V92 PolarHBondContact O-N 2.96Å
91E88Confident85.5Confident56 Ų56114.2 Ų114.226%0.26258%0.576SS.*  trans-78.1111.5-172179.4119.6-132.700112.6K44 V46 G47 H88 D89 N93K44-E91 IonicContact NZ-OE1 2.63Å; K44-E91 PolarHBondContact NZ-OE1 3.1Å; K44-E91 IonicContact NZ-OE2 2.61Å; K44-E91 PolarHBondContact NZ-OE2 3.35Å; V46-E91 VanDerWaalsContact CG2-OE2 3.25Å; V46-E91 WeakPolarHBondContact CG2-OE2 3.43Å; G47-E91 WeakPolarHBondContact CA-OE2 3.32Å; G47-E91 PolarHBondContact N-OE2 2.99Å; G47-E91 VanDerWaalsContact N-OE2 3.07Å; H88-E91 WeakPolarHBondContact O-CB 3.5Å; H88-E91 PolarHBondContact O-N 3.33Å; D89-E91 PolarHBondContact O-N 2.97Å; E91-N93 PolarHBondContact O-N 2.95Å
92V81.1Confident85.4Confident114 Ų114118 Ų11869%0.69159%0.589SS**  trans-71.696.3170-174.60000109.9S90 P94S90-V92 PolarHBondContact O-N 2.96Å; V92-P94 WeakPolarHBondContact O-CD 3.26Å
93N73.8Confident85.3Confident63 Ų63117 Ų11734%0.33760%0.597SS.*  trans-60.4119170.2-178.5-0.8000110.2E91 F95E91-N93 PolarHBondContact O-N 2.95Å; N93-F95 PolarHBondContact O-N 3.46Å; N93-F95 WeakPolarHBondContact OD1-CB 3.41Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.44Å; N93-F95 PolarHBondContact OD1-N 3.48Å
94P73.1Confident85Confident110 Ų110116.2 Ų116.271%0.71459%0.592SS**SBendtrans-64.9-24.6178.627.4-35.4000112.2V92 Q96V92-P94 WeakPolarHBondContact O-CD 3.26Å; P94-Q96 PolarHBondContact O-N 3.24Å
95F70.8Confident85.1Confident155 Ų155117.7 Ų117.768%0.6860%0.604SS**  trans-8072.2169.9-49-66.9000109.8N93 S97N93-F95 PolarHBondContact O-N 3.46Å; N93-F95 WeakPolarHBondContact OD1-CB 3.41Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.44Å; N93-F95 PolarHBondContact OD1-N 3.48Å; F95-S97 PolarHBondContact O-N 2.8Å
96Q68.9Low85.1Confident144 Ų144118.4 Ų118.467%0.67361%0.608SS**  trans-68.371163.6-67.7-170.5-3.600109.7P94 K98P94-Q96 PolarHBondContact O-N 3.24Å; Q96-K98 VanDerWaalsContact C-N 3.25Å; Q96-K98 PolarHBondContact O-N 2.77Å
97S73.9Confident85Confident105 Ų105118.7 Ų118.773%0.73461%0.609SS**  trans-66.582.9177.9-66.60000109.9F95 M99F95-S97 PolarHBondContact O-N 2.8Å; S97-M99 PolarHBondContact O-N 3.35Å
98K80.9Confident85Confident177 Ų177119.9 Ų119.977%0.7761%0.61SS**  trans-57.7129.2168.8-62.9-179.3-176.1179.30107.9Q96 K100Q96-K98 VanDerWaalsContact C-N 3.25Å; Q96-K98 PolarHBondContact O-N 2.77Å; K98-K100 PolarHBondContact O-N 3.1Å; K98-K100 VanDerWaalsContact O-N 3.1Å
99M83.5Confident84.9Confident200 Ų200120.3 Ų120.399%0.98561%0.614SS**  trans-58.2119.4173.8-60.5-175.3-14100108.6S97S97-M99 PolarHBondContact O-N 3.35Å
100K86.8Confident84.9Confident172 Ų172117.3 Ų117.375%0.74860%0.604SS**  trans-134.4137.3177.3-174.1-170.1171.3-171.80107.4K98 F102K98-K100 PolarHBondContact O-N 3.1Å; K98-K100 VanDerWaalsContact O-N 3.1Å; K100-F102 PolarHBondContact O-N 3.18Å
101E91.4Very high84.7Confident167 Ų167117.6 Ų117.678%0.7860%0.599SS**  trans-55.2136172.2-170.253-122.600110.5S103E101-S103 PolarHBondContact O-N 3.46Å
102F91Very high84.6Confident163 Ų163120 Ų12072%0.71561%0.608SS**  trans-76.6108.8-176.2173.8-95.9000110.3K100 L104K100-F102 PolarHBondContact O-N 3.18Å; F102-L104 HydrophobicContact CE1-CB 4.2Å; F102-L104 HydrophobicContact CE1-CD1 4.48Å; F102-L104 HydrophobicContact CZ-CB 4.27Å; F102-L104 HydrophobicContact CZ-CD1 3.85Å
103S91.6Very high84.9Confident79 Ų79119.2 Ų119.255%0.55261%0.608SS**  trans-108.2117.5168.961.50000109.6E101E101-S103 PolarHBondContact O-N 3.46Å
104L89.6Confident85.5Confident69 Ų69120.1 Ų120.136%0.36161%0.612SS.*  trans-66.2135171.6-167.369.7000109.6F102 Y108 K112F102-L104 HydrophobicContact CE1-CB 4.2Å; F102-L104 HydrophobicContact CE1-CD1 4.48Å; F102-L104 HydrophobicContact CZ-CB 4.27Å; F102-L104 HydrophobicContact CZ-CD1 3.85Å; L104-Y108 HydrophobicContact CD1-CD2 3.9Å; L104-Y108 HydrophobicContact CD1-CE2 4.48Å; L104-Y108 HydrophobicContact CD1-CG 4.24Å; L104-Y108 HydrophobicContact CD2-CD2 4.25Å; L104-Y108 HydrophobicContact CD2-CG 3.95Å; L104-Y108 HydrophobicContact CG-CD2 3.75Å; L104-Y108 HydrophobicContact CG-CG 3.98Å; L104-K112 HydrophobicContact CD2-CD 3.73Å; L104-K112 HydrophobicContact CD2-CG 4.12Å
105P93.5Very high86.2Confident65 Ų65123.9 Ų123.942%0.42262%0.618SS.*  trans-57.9150.6177.6-25.734.9000113.5E107 Y108P105-E107 HydrophobicContact CB-CG 4.12Å; P105-E107 PolarHBondContact O-N 3.05Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CB-CE2 4.03Å; P105-Y108 HydrophobicContact CG-CD2 4.24Å; P105-Y108 HydrophobicContact CG-CE2 4.03Å; P105-Y108 WeakPolarHBondContact O-CD2 3.41Å; P105-Y108 PolarHBondContact O-N 3.13Å; P105-Y108 VanDerWaalsContact O-N 3.13Å
106E92.3Very high86.8Confident170 Ų170124.9 Ų124.979%0.79462%0.618SS**G310 helixtrans-60.4-27.7-174.6-62.3178.4179.200113Y108 D109E106-Y108 PolarHBondContact O-N 3.18Å; E106-D109 WeakPolarHBondContact O-CB 3.41Å; E106-D109 PolarHBondContact O-N 2.63Å
107E93.1Very high87.6Confident136 Ų136123.3 Ų123.364%0.63662%0.62SS**G310 helixtrans-55.1-25.8175.970.3-159.4-147.300113.7P105P105-E107 HydrophobicContact CB-CG 4.12Å; P105-E107 PolarHBondContact O-N 3.05Å
108Y91.5Very high87.7Confident92 Ų92122 Ų12236%0.36160%0.599SS.*G310 helixtrans-91.20179.7-58.3-76.6000114.3L104 P105 E106 S110 L111 K112L104-Y108 HydrophobicContact CD1-CD2 3.9Å; L104-Y108 HydrophobicContact CD1-CE2 4.48Å; L104-Y108 HydrophobicContact CD1-CG 4.24Å; L104-Y108 HydrophobicContact CD2-CD2 4.25Å; L104-Y108 HydrophobicContact CD2-CG 3.95Å; L104-Y108 HydrophobicContact CG-CD2 3.75Å; L104-Y108 HydrophobicContact CG-CG 3.98Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CB-CE2 4.03Å; P105-Y108 HydrophobicContact CG-CD2 4.24Å; P105-Y108 HydrophobicContact CG-CE2 4.03Å; P105-Y108 WeakPolarHBondContact O-CD2 3.41Å; P105-Y108 PolarHBondContact O-N 3.13Å; P105-Y108 VanDerWaalsContact O-N 3.13Å; E106-Y108 PolarHBondContact O-N 3.18Å; Y108-S110 PolarHBondContact O-N 2.99Å; Y108-L111 HydrophobicContact CD1-CD1 4.22Å; Y108-L111 PolarHBondContact O-N 3.3Å; Y108-K112 PolarHBondContact O-N 2.95Å
109D90.3Very high87.4Confident72 Ų72119.3 Ų119.339%0.38560%0.597SS.*Hα-helixtrans-63.6-31.4-178.6-81.4-33.5000112.9E106 L111 K112 S113E106-D109 WeakPolarHBondContact O-CB 3.41Å; E106-D109 PolarHBondContact O-N 2.63Å; D109-L111 PolarHBondContact O-N 3.07Å; D109-K112 PolarHBondContact O-N 2.98Å; D109-K112 WeakPolarHBondContact OD1-CD 3.49Å; D109-K112 WeakPolarHBondContact OD1-CE 3.14Å; D109-K112 IonicContact OD1-NZ 2.86Å; D109-K112 PolarHBondContact OD1-NZ 3.47Å; D109-S113 PolarHBondContact O-N 3.2Å
110S88Confident86.6Confident75 Ų75115 Ų11552%0.52458%0.582SS.*Hα-helixtrans-54.2-50168.760.20000111.7Y108 S113Y108-S110 PolarHBondContact O-N 2.99Å; S110-S113 PolarHBondContact O-N 3.04Å; S110-S113 PolarHBondContact O-OG 3.3Å
111L86.5Confident85.4Confident86 Ų86112.2 Ų112.245%0.4558%0.584SS.*Hα-helixtrans-70-31.2177.1-59.2-176.1000112.8Y108 D109 S113 L114 R118Y108-L111 HydrophobicContact CD1-CD1 4.22Å; Y108-L111 PolarHBondContact O-N 3.3Å; D109-L111 PolarHBondContact O-N 3.07Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-L114 HydrophobicContact CD2-CD1 3.87Å; L111-L114 PolarHBondContact O-N 3.42Å; L111-R118 WeakPolarHBondContact O-CD 3.35Å; L111-R118 PolarHBondContact O-NH1 2.75Å
112K85.9Confident83.8Confident105 Ų105111.3 Ų111.346%0.45759%0.585SS.*Hα-helixtrans-65.5-32.8173.7-76.6166.553-168.10112.3L104 Y108 D109 R118L104-K112 HydrophobicContact CD2-CD 3.73Å; L104-K112 HydrophobicContact CD2-CG 4.12Å; Y108-K112 PolarHBondContact O-N 2.95Å; D109-K112 PolarHBondContact O-N 2.98Å; D109-K112 WeakPolarHBondContact OD1-CD 3.49Å; D109-K112 WeakPolarHBondContact OD1-CE 3.14Å; D109-K112 IonicContact OD1-NZ 2.86Å; D109-K112 PolarHBondContact OD1-NZ 3.47Å; K112-R118 VanDerWaalsContact C-NH1 3.26Å; K112-R118 PolarHBondContact O-NH1 2.91Å
113S87.2Confident82.1Confident99 Ų99107.7 Ų107.769%0.69258%0.58SS**Hα-helixtrans-73.8-21.4175.4740000114.7D109 S110 L111 K115D109-S113 PolarHBondContact O-N 3.2Å; S110-S113 PolarHBondContact O-N 3.04Å; S110-S113 PolarHBondContact O-OG 3.3Å; L111-S113 VanDerWaalsContact C-N 3.32Å; S113-K115 PolarHBondContact O-N 3.32Å
114L86.2Confident80.3Confident81 Ų81108 Ų10842%0.42460%0.596SS.*SBendtrans-66.7134.3179-65177.5000111.5L111 R118L111-L114 HydrophobicContact CD2-CD1 3.87Å; L111-L114 PolarHBondContact O-N 3.42Å; L114-R118 HydrophobicContact CB-CB 4.48Å; L114-R118 HydrophobicContact CB-CG 4.46Å; L114-R118 PolarHBondContact O-NH1 2.97Å
115K86.9Confident78.7Confident190 Ų190111.3 Ų111.383%0.82661%0.612SS**PPolyproline II helixtrans-63139.4170.6-172.2178178.5179.80109.7S113 P117S113-K115 PolarHBondContact O-N 3.32Å; K115-P117 CarbonylContact O-C 3.36Å
116Y84.5Confident76.4Confident175 Ų175113.6 Ų113.669%0.68663%0.63SS**SBendtrans-60.7138.7172.3-76.8-83.7000111.2R118Y116-R118 HydrophobicContact CD1-CG 4.07Å; Y116-R118 HydrophobicContact CE1-CG 4.17Å; Y116-R118 HydrophobicContact CG-CG 4.48Å; Y116-R118 VanDerWaalsContact CZ-NH2 3.27Å; Y116-R118 PolarHBondContact OH-NE 3.01Å; Y116-R118 PolarHBondContact OH-NH2 2.9Å
117P86.2Confident74.7Confident111 Ų111110.8 Ų110.872%0.72162%0.624SS**SBendcis-76133.1-231.1-34.1000112.9K115 V119K115-P117 CarbonylContact O-C 3.36Å; P117-V119 PolarHBondContact O-N 2.81Å; P117-V119 VanDerWaalsContact O-N 3.11Å
118R75.3Confident72.5Confident79 Ų79109.6 Ų109.630%0.29863%0.631SS.*SBendtrans-73.71.4-174.8-56.4178.4-170.1-81.14.9114.9L111 K112 L114 Y116L111-R118 WeakPolarHBondContact O-CD 3.35Å; L111-R118 PolarHBondContact O-NH1 2.75Å; K112-R118 VanDerWaalsContact C-NH1 3.26Å; K112-R118 PolarHBondContact O-NH1 2.91Å; L114-R118 HydrophobicContact CB-CB 4.48Å; L114-R118 HydrophobicContact CB-CG 4.46Å; L114-R118 PolarHBondContact O-NH1 2.97Å; Y116-R118 HydrophobicContact CD1-CG 4.07Å; Y116-R118 HydrophobicContact CE1-CG 4.17Å; Y116-R118 HydrophobicContact CG-CG 4.48Å; Y116-R118 VanDerWaalsContact CZ-NH2 3.27Å; Y116-R118 PolarHBondContact OH-NE 3.01Å; Y116-R118 PolarHBondContact OH-NH2 2.9Å
119V73.5Confident70.6Confident119 Ų119115.9 Ų115.972%0.72165%0.654SS**SBendtrans-134.6122.5177.8-178.90000106.9P117P117-V119 PolarHBondContact O-N 2.81Å; P117-V119 VanDerWaalsContact O-N 3.11Å
120T68.4Low68.7Low109 Ų109116.7 Ų116.767%0.66967%0.665SS**  trans-75.3136.1168.758.10000108.8N122T120-N122 WeakPolarHBondContact CB-OD1 3.49Å; T120-N122 PolarHBondContact O-N 3.11Å; T120-N122 PolarHBondContact OG1-OD1 2.94Å; T120-N122 VanDerWaalsContact OG1-OD1 3.07Å
121S61.5Low66.6Low114 Ų114118.6 Ų118.680%0.79768%0.676SS**  trans-74.172.2-179.351.50000111.4S123S121-S123 VanDerWaalsContact C-N 3.33Å
122N56.9Low64.7Low148 Ų148126.2 Ų126.279%0.79170%0.699SS**  trans-97.129.4175.9-80.669.3000112.4T120T120-N122 WeakPolarHBondContact CB-OD1 3.49Å; T120-N122 PolarHBondContact O-N 3.11Å; T120-N122 PolarHBondContact OG1-OD1 2.94Å; T120-N122 VanDerWaalsContact OG1-OD1 3.07Å
123S55.3Low62.9Low88 Ų88127.3 Ų127.362%0.61571%0.714SS**SBendtrans-139.7140.3159.861.60000108.5S121 I125S121-S123 VanDerWaalsContact C-N 3.33Å; S123-I125 PolarHBondContact O-N 3.34Å
124G52.9Low60.5Low86 Ų86130.7 Ų130.789%0.88773%0.725SS**  trans-75.143.2-161.500000116.9
125I56.9Low58.5Low137 Ų137132.2 Ų132.270%0.70374%0.742SS**  trans-101.485.6177.1-51.9-178.9000109.4S123 V127S123-I125 PolarHBondContact O-N 3.34Å; I125-V127 VanDerWaalsContact C-N 3.33Å; I125-V127 HydrophobicContact CG2-CG2 4Å; I125-V127 PolarHBondContact O-N 2.72Å
126S45.1Very low56.1Low114 Ų114128.8 Ų128.880%0.79774%0.741SS**  trans-72.780.7175.844.80000111.8S128S126-S128 PolarHBondContact O-N 3.31Å
127V56.2Low54.4Low110 Ų110124.9 Ų124.967%0.66774%0.739SS**  trans-71.479.4168.2-173.70000109.4I125 R129I125-V127 VanDerWaalsContact C-N 3.33Å; I125-V127 HydrophobicContact CG2-CG2 4Å; I125-V127 PolarHBondContact O-N 2.72Å; V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 2.79Å
128S47.3Very low52.9Low111 Ų111127.7 Ų127.778%0.77674%0.742SS**  trans-66.291170.9-175.40000109.6S126 S130S126-S128 PolarHBondContact O-N 3.31Å; S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 2.82Å
129R51Low51.5Low225 Ų225133.1 Ų133.185%0.84977%0.768SS**  trans-81.274.8177-168175.9-70.9-179.2-2.4109.4V127V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 2.79Å
130S50.8Low50Low88 Ų88139.1 Ų139.162%0.61578%0.778SS**  trans-61.2136.7176.3-171.80000111.2S128 R132S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 2.82Å; S130-R132 PolarHBondContact O-N 3.5Å
131P45.2Very low49.3Very low115 Ų115140.9 Ų140.975%0.74779%0.789SS**  trans-69.9120.5177.1-8.624000109.8T133P131-T133 PolarHBondContact O-N 3.07Å
132R46.1Very low48.6Very low247 Ų247147 Ų14793%0.93279%0.794SS**  trans-83.1110.5170.8-71.3-173.1172.1-151.7-3.7109.2S130S130-R132 PolarHBondContact O-N 3.5Å
133T47.3Very low48.5Very low127 Ų127149.9 Ų149.978%0.77980%0.8SS**  trans-72.1140.516744.10000110.5P131P131-T133 PolarHBondContact O-N 3.07Å
134D36.3Very low48.3Very low171 Ų171150.5 Ų150.591%0.91480%0.804SS**  trans-66.3128.9177.3-101.8-49000112
135S45.8Very low48.4Very low113 Ų113153.5 Ų153.579%0.7980%0.799SS**  trans-159.9118.3153.448.70000112.6
136C34.6Very low47.8Very low118 Ų118158.2 Ų158.280%0.79781%0.808SS**  trans-56.7133.7177.5178.90000114.8
137S49.1Very low48Very low92 Ų92158.1 Ų158.164%0.64381%0.807SS**  162.9116.9123.1-78.70000116.8
138Q54.8Low48Very low171 Ų171158.5 Ų158.580%0.79981%0.81SS**  trans69.7142.9135.5-56.6-170.912.800123.9
139K45.7Very low48Very low192 Ų192160 Ų16084%0.83581%0.809SS**  trans82.691.3157.9-73.4176-178.7176.30120.9
140R43.7Very low48.2Very low245 Ų245154.1 Ų154.193%0.92580%0.803SS**  trans-22134144.6-64.5163.7132.4157.4-5.3116.4
141T52.5Low47.8Very low147 Ų147157 Ų15790%0.90281%0.811SS**  -157.1142.8129.432.80000110.6
142R47.4Very low47.8Very low242 Ų242158.1 Ų158.191%0.91382%0.816SS**  trans-102.8143.1178-65.3170.573.2162.92.2111.2
143K53.8Low47.6Very low209 Ų209151.9 Ų151.991%0.90981%0.805SS**  trans169.1155.9160.8-93.3149.1-176.7-175.90107.6
144S51.1Low47.5Very low101 Ų101153.3 Ų153.371%0.70681%0.807SS**  cis-163145-28.5-169.20000109
145L55.8Low47.9Very low149 Ų149149.5 Ų149.578%0.7880%0.799SS**  trans7.1130161-56.9170.9000123.1
146R43.9Very low47.8Very low235 Ų235148.9 Ų148.989%0.88780%0.795SS**  trans41.6127.6131.7-64.8-177.6172.7179.4-3123
147S49.5Very low48.4Very low112 Ų112148.4 Ų148.478%0.78379%0.793SS**  trans-159.7119.6139.3550000107.8
148V56.7Low48.2Very low119 Ų119149.6 Ų149.672%0.72180%0.797SS**  77.699.365.4175.70000113.5
149D46.1Very low48.2Very low141 Ų141148 Ų14875%0.75479%0.794SS**  trans46.9127.8136.8-45.1-21000122.7
150S56.3Low48.3Very low103 Ų103144.1 Ų144.172%0.7279%0.791SS**  169.7128.899.5-73.80000115
151N42Very low48.5Very low149 Ų149138 Ų13880%0.79778%0.782SS**  trans47.4133.5142.6-57.6-18.2000122.7
152T46.5Very low48Very low138 Ų138137.4 Ų137.485%0.84778%0.779SS**  -165.3141.3107.9-74.50000112.7
153T41Very low47.9Very low116 Ų116132.3 Ų132.371%0.71277%0.774SS**  trans-74.7156.8-173.7-30.10000115.1
154L45.7Very low47.6Very low157 Ų157127.6 Ų127.682%0.82276%0.763SS**  156.3131.1119.9-88.4145.1000116.3
155A44Very low47Very low90 Ų90128.4 Ų128.474%0.74476%0.764SS**  trans61.4148.4147.700000120.8
156S42.9Very low46.7Very low100 Ų100127.3 Ų127.370%0.69976%0.764SS**  cis-174.6147.7-14.549.20000110.6
157S47.8Very low46.8Very low109 Ų109120.6 Ų120.676%0.76275%0.753SS**  trans69.7164.5161.1-58.10000117.2
158T46.2Very low46.7Very low116 Ų116120.3 Ų120.371%0.71275%0.75SS**  cis-169.2166.3-25.733.40000106.5
159N54Low46.6Very low138 Ų138120.3 Ų120.374%0.73875%0.751SS**  cis-162.1148.6-12.4-112.4-5.8000110.3
160S46.7Very low46.6Very low110 Ų110119.5 Ų119.577%0.76975%0.751SS**  trans65.5162.4154.1-55.80000119.3
161P48.9Very low46.5Very low116 Ų116120.1 Ų120.175%0.75376%0.755SS**  cis-129.1174.94.841.9-26.2000116.3
162V41.4Very low46.9Very low136 Ų136123.1 Ų123.182%0.82476%0.755SS**  trans-129.1143.4161.7170.70000108.3
163T46.5Very low47.6Very low134 Ų134123 Ų12382%0.82275%0.745SS**  trans-139.2132.5174.2-56.90000109.9
164T46Very low48.6Very low110 Ų110125.6 Ų125.668%0.67575%0.747SS**  trans-113.5136.8-175.5-60.90000109.2
165T38.4Very low48.4Very low119 Ų119129.8 Ų129.873%0.7375%0.751SS**  trans23.1132145.3-41.80000117.4
166V49.5Very low49.2Very low126 Ų126140.7 Ų140.776%0.76477%0.773SS**  -163.5153.874.9-145.60000114.9
167S46.4Very low49.5Very low94 Ų94142.8 Ų142.866%0.65778%0.777SS**  trans65.3111.4139.160.40000124.4
168S48.2Very low49.6Very low105 Ų105144.5 Ų144.573%0.73478%0.778SS**  102.8149.7109.574.30000123.5
169V54.4Low49.8Very low120 Ų120146.1 Ų146.173%0.72778%0.782SS**  trans69.688.4157.6-72.40000123.6
170T46.6Very low49.6Very low123 Ų123146.6 Ų146.676%0.75578%0.784SS**  52.8142.5116.460.60000124.1
171S52.6Low49.8Very low116 Ų116148.9 Ų148.981%0.81179%0.785SS**  trans90.1148.7156.5-55.40000117.3
172R50.9Low49.8Very low212 Ų212151.1 Ų151.180%0.879%0.787SS**  cis-178158.7-23.5-174.4176.6-179.5165.34.4106.5
173E61.3Low50.4Low136 Ų136152.1 Ų152.164%0.63678%0.784SS**  trans71.7146161.3-13045.2-147.500114
174K62.7Low50.7Low171 Ų171153.5 Ų153.574%0.74378%0.782SS**  cis-153.1154.82.5-156.6163.3-166.1152.30111.8
175R41.7Very low51.1Low244 Ų244157.2 Ų157.292%0.92179%0.79SS**  trans-63.5140.6161.2-75.2171.4159.8145.5-8.4112.1
176R60.8Low52.3Low320 Ų320160.6 Ų160.6100%1.20880%0.796SS**  trans-150.60130.7-134.7179.3-173.7-166.70.2110.6

Retrieved 176 of 176 residues in 88.4 ms (Link to these results)