A0A087WPU7_MOUSE Loading...

Protein tyrosine phosphatase receptor type N

AlphaFold DB , UniProt , Accession A0A087WPU7, Species MOUSE (Mus musculus, Mouse), Gene Ptprn, Length 141 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
1M37.3Very low63.9Low245 Ų245108.5 Ų108.5100%1.20756%0.558SS**  01090-63.3115.2116.100107.5
2K50.3Low65Low204 Ų204116.8 Ų116.889%0.88758%0.577SS**  trans-83.8118.4179.8-164.1111.1112.9177.30105.6D4K2-D4 PolarHBondContact O-N 2.66Å
3G43.8Very low66.1Low61 Ų61114.9 Ų114.963%0.62957%0.57SS**  trans-53.9127.2-165.600000113.6G5G3-G5 PolarHBondContact O-N 3.1Å
4D54.5Low67.2Low165 Ų165108 Ų10888%0.88254%0.538SS*.  trans-71.760.5168.4-62.4-66000110.5K2K2-D4 PolarHBondContact O-N 2.66Å
5G58.3Low67.9Low30 Ų30104.3 Ų104.331%0.30953%0.526SS..  trans-123110169.700000107.7G3 L13G3-G5 PolarHBondContact O-N 3.1Å; G5-L13 WeakPolarHBondContact O-CD2 3.47Å
6G72.8Confident68.5Low16 Ų16108.6 Ų108.617%0.16554%0.544CS..  trans-70.8172-177.900000113.3L8 F9 F26G6-L8 PolarHBondContact O-N 3.21Å; G6-L8 VanDerWaalsContact O-N 3.1Å; G6-F9 PolarHBondContact O-N 3.15Å; G6-F26 CarbonylContact C-O 3.52Å; G6-F26 WeakPolarHBondContact CA-O 3.43Å
7C82.6Confident68.7Low2 Ų2109.4 Ų109.41%0.01455%0.549CS..THydrogen-bonded Turntrans-68.4-10.2-168.563.30000115.5D10 R11 C14 C20 F26 G27 Q28 C29C7-D10 CarbonylContact O-C 3.42Å; C7-R11 PolarHBondContact O-N 3.33Å; C7-C14 WeakPolarHBondContact CB-SG 3.35Å; C7-C20 HydrophobicContact CB-CB 3.67Å; C7-C20 WeakPolarHBondContact CB-SG 3.42Å; C7-C20 PolarHBondContact O-SG 3.29Å; C7-C20 VanDerWaalsContact O-SG 3.34Å; C7-C20 WeakPolarHBondContact SG-CA 3.47Å; C7-C20 WeakPolarHBondContact SG-CB 3.39Å; C7-C20 CovalentContact SG-SG 2.03Å; C7-C20 PolarHBondContact SG-SG 2.71Å; C7-F26 PolarHBondContact N-O 2.97Å; C7-G27 PolarHBondContact N-O 2.9Å; C7-G27 PolarHBondContact SG-O 2.86Å; C7-G27 VanDerWaalsContact SG-O 3.39Å; C7-Q28 PolarHBondContact SG-N 3.42Å; C7-Q28 VanDerWaalsContact SG-N 3.44Å; C7-C29 VanDerWaalsContact CB-SG 3.58Å
8L79.8Confident69.3Low69 Ų69107.6 Ų107.636%0.36154%0.538SS..THydrogen-bonded Turntrans-67.2-31.3171.3-71.3169.1000111.3G6 C20 Q22 F26G6-L8 PolarHBondContact O-N 3.21Å; G6-L8 VanDerWaalsContact O-N 3.1Å; L8-C20 PolarHBondContact N-SG 3.04Å; L8-C20 VanDerWaalsContact N-SG 3.37Å; L8-Q22 HydrophobicContact CD1-CB 4.29Å; L8-Q22 HydrophobicContact CD1-CG 3.8Å; L8-Q22 HydrophobicContact CD2-CB 4.01Å; L8-Q22 HydrophobicContact CD2-CG 4.16Å; L8-F26 VanDerWaalsContact CB-O 3.25Å; L8-F26 WeakPolarHBondContact CB-O 3.48Å; L8-F26 WeakPolarHBondContact CG-O 3.47Å; L8-F26 PolarHBondContact N-O 3.33Å
9F75.4Confident70Confident149 Ų149104.7 Ų104.765%0.65453%0.527SS*.THydrogen-bonded Turntrans-82-38.7-179.9-69.9-86.2000111.7G6 F26G6-F9 PolarHBondContact O-N 3.15Å; F9-F26 AromaticContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CE1 4.29Å; F9-F26 AromaticContact CE2-CD1 3.29Å; F9-F26 HydrophobicContact CE2-CD1 3.29Å; F9-F26 AromaticContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CG 4.17Å; F9-F26 HydrophobicContact CZ-CD1 4.27Å; F9-F26 HydrophobicContact CZ-CE1 4.28Å
10D77.6Confident70.7Confident49 Ų49101.2 Ų101.226%0.26251%0.512SS..  trans-145.8112.7172.9-176.3-6.7000111.4C7 R12 L13C7-D10 CarbonylContact O-C 3.42Å; D10-R12 PolarHBondContact O-N 3.23Å; D10-R12 VanDerWaalsContact O-N 3.17Å; D10-R12 WeakPolarHBondContact OD1-CB 3.42Å; D10-R12 VanDerWaalsContact OD1-CG 3.29Å; D10-R12 WeakPolarHBondContact OD1-CG 3.25Å; D10-R12 IonicContact OD1-CZ 3.77Å; D10-R12 PolarHBondContact OD1-N 3.22Å; D10-R12 IonicContact OD1-NE 2.95Å; D10-R12 PolarHBondContact OD1-NE 3.14Å; D10-R12 IonicContact OD1-NH2 3.76Å; D10-R12 IonicContact OD2-CZ 3.32Å; D10-R12 VanDerWaalsContact OD2-CZ 3.32Å; D10-R12 IonicContact OD2-NE 3.03Å; D10-R12 PolarHBondContact OD2-NE 3.32Å; D10-R12 IonicContact OD2-NH2 2.75Å; D10-R12 PolarHBondContact OD2-NH2 2.99Å; D10-L13 HydrophobicContact CB-CD1 3.47Å; D10-L13 VanDerWaalsContact CB-CD1 3.47Å; D10-L13 WeakPolarHBondContact O-CB 3.31Å; D10-L13 WeakPolarHBondContact O-CD1 3.33Å; D10-L13 PolarHBondContact O-N 2.9Å; D10-L13 VanDerWaalsContact O-N 3.12Å
11R70.4Confident71.2Confident203 Ų203100 Ų10077%0.76651%0.507SS*.G310 helixtrans-66.6-13179.8-74.2-177.7168-173.4-3.9113.5C7 L13 C14C7-R11 PolarHBondContact O-N 3.33Å; R11-L13 PolarHBondContact O-N 2.89Å; R11-C14 PolarHBondContact O-N 3.2Å
12R77.6Confident73.3Confident208 Ų20895.4 Ų95.479%0.78548%0.482SS*.G310 helixtrans-74.7-9.4174.2-58.8173.2-70.2-157.91.8112.6D10 C14D10-R12 PolarHBondContact O-N 3.23Å; D10-R12 VanDerWaalsContact O-N 3.17Å; D10-R12 WeakPolarHBondContact OD1-CB 3.42Å; D10-R12 VanDerWaalsContact OD1-CG 3.29Å; D10-R12 WeakPolarHBondContact OD1-CG 3.25Å; D10-R12 IonicContact OD1-CZ 3.77Å; D10-R12 PolarHBondContact OD1-N 3.22Å; D10-R12 IonicContact OD1-NE 2.95Å; D10-R12 PolarHBondContact OD1-NE 3.14Å; D10-R12 IonicContact OD1-NH2 3.76Å; D10-R12 IonicContact OD2-CZ 3.32Å; D10-R12 VanDerWaalsContact OD2-CZ 3.32Å; D10-R12 IonicContact OD2-NE 3.03Å; D10-R12 PolarHBondContact OD2-NE 3.32Å; D10-R12 IonicContact OD2-NH2 2.75Å; D10-R12 PolarHBondContact OD2-NH2 2.99Å; R12-C14 VanDerWaalsContact C-N 3.31Å
13L79.3Confident74.3Confident93 Ų9389.7 Ų89.749%0.48746%0.461SS..G310 helixtrans-71.6-27.2170.3-80.1100.7000112.7G5 D10 R11G5-L13 WeakPolarHBondContact O-CD2 3.47Å; D10-L13 HydrophobicContact CB-CD1 3.47Å; D10-L13 VanDerWaalsContact CB-CD1 3.47Å; D10-L13 WeakPolarHBondContact O-CB 3.31Å; D10-L13 WeakPolarHBondContact O-CD1 3.33Å; D10-L13 PolarHBondContact O-N 2.9Å; D10-L13 VanDerWaalsContact O-N 3.12Å; R11-L13 PolarHBondContact O-N 2.89Å
14C82Confident75.3Confident18 Ų1889.9 Ų89.912%0.12246%0.463CS..SBendtrans-81.4144.2176.1-61.90000111.1C7 R11 R12 E18 C29C7-C14 WeakPolarHBondContact CB-SG 3.35Å; R11-C14 PolarHBondContact O-N 3.2Å; R12-C14 VanDerWaalsContact C-N 3.31Å; C14-E18 HydrophobicContact CB-CB 3.96Å; C14-C29 WeakPolarHBondContact CA-SG 3.32Å; C14-C29 HydrophobicContact CB-CB 3.88Å; C14-C29 WeakPolarHBondContact CB-SG 3.44Å; C14-C29 VanDerWaalsContact SG-CA 3.56Å; C14-C29 WeakPolarHBondContact SG-CB 3.48Å; C14-C29 CovalentContact SG-SG 2.04Å; C14-C29 PolarHBondContact SG-SG 3.2Å
15S77.7Confident76.3Confident52 Ų5287.8 Ų87.836%0.36445%0.452SS..  trans-60.7156.1167.2-173.70000110.2L17 E18S15-L17 PolarHBondContact O-N 2.7Å; S15-E18 WeakPolarHBondContact CB-OE2 3.36Å; S15-E18 PolarHBondContact N-OE2 2.98Å; S15-E18 PolarHBondContact O-N 2.89Å
16H76.1Confident77Confident174 Ų17490.6 Ų90.681%0.80646%0.455SS*.THydrogen-bonded Turntrans-61.4-15.5176.556.4-82.8000113.4
17L72.3Confident77.4Confident122 Ų12290.2 Ų90.264%0.63945%0.451SS*.THydrogen-bonded Turntrans-94.40.5174.9-61.7175.1000113.1S15 G32S15-L17 PolarHBondContact O-N 2.7Å; L17-G32 VanDerWaalsContact O-CA 3.28Å; L17-G32 WeakPolarHBondContact O-CA 3.33Å; L17-G32 PolarHBondContact O-N 3.26Å
18E80.6Confident77.3Confident76 Ų7696 Ų9636%0.35548%0.478SS..EExtended strand (participates in β ladder)trans-113.3149.7-175.4-68.7172.9152.800111.2C14 S15 C29 Q30C14-E18 HydrophobicContact CB-CB 3.96Å; S15-E18 WeakPolarHBondContact CB-OE2 3.36Å; S15-E18 PolarHBondContact N-OE2 2.98Å; S15-E18 PolarHBondContact O-N 2.89Å; E18-C29 HydrophobicContact CB-CB 4.16Å; E18-Q30 CarbonylContact C-O 2.86Å; E18-Q30 WeakPolarHBondContact CA-O 3.28Å; E18-Q30 WeakPolarHBondContact CB-O 3.21Å
19V81.6Confident77.5Confident53 Ų5394.9 Ų94.932%0.32148%0.476SS..EExtended strand (participates in β ladder)trans-110.1139.1171.9-66.40000109I21 Q30V19-I21 HydrophobicContact CG2-CD1 3.83Å; V19-I21 HydrophobicContact CG2-CG1 4.33Å; V19-Q30 PolarHBondContact N-O 2.93Å; V19-Q30 PolarHBondContact O-N 3.26Å
20C84.8Confident77.5Confident34 Ų3493 Ų9323%0.2347%0.469CS..EExtended strand (participates in β ladder)trans-81.8117.9173.5-176.40000110.1C7 L8C7-C20 HydrophobicContact CB-CB 3.67Å; C7-C20 WeakPolarHBondContact CB-SG 3.42Å; C7-C20 PolarHBondContact O-SG 3.29Å; C7-C20 VanDerWaalsContact O-SG 3.34Å; C7-C20 WeakPolarHBondContact SG-CA 3.47Å; C7-C20 WeakPolarHBondContact SG-CB 3.39Å; C7-C20 CovalentContact SG-SG 2.03Å; C7-C20 PolarHBondContact SG-SG 2.71Å; L8-C20 PolarHBondContact N-SG 3.04Å; L8-C20 VanDerWaalsContact N-SG 3.37Å
21I81.2Confident77.5Confident77 Ų7792.8 Ų92.840%0.39547%0.474SS..EExtended strand (participates in β ladder)trans-100.5131.9176.6-55.2-59000108.9V19 D23 G27 Q28 Q30V19-I21 HydrophobicContact CG2-CD1 3.83Å; V19-I21 HydrophobicContact CG2-CG1 4.33Å; I21-D23 PolarHBondContact O-N 3.43Å; I21-G27 CarbonylContact O-C 3.44Å; I21-G27 WeakPolarHBondContact O-CA 3.41Å; I21-Q28 PolarHBondContact N-O 3.48Å; I21-Q28 PolarHBondContact O-N 2.98Å; I21-Q30 HydrophobicContact CG1-CB 3.99Å
22Q81.4Confident77.2Confident149 Ų14983.6 Ų83.670%0.69644%0.442SS*.  trans-76.5106.8176.1-174.5167.68700109.8L8L8-Q22 HydrophobicContact CD1-CB 4.29Å; L8-Q22 HydrophobicContact CD1-CG 3.8Å; L8-Q22 HydrophobicContact CD2-CB 4.01Å; L8-Q22 HydrophobicContact CD2-CG 4.16Å
23D70.9Confident76.3Confident83 Ų8380.3 Ų80.344%0.44445%0.445SS..  trans-93.55.1176.266.2-20000113I21 F26 G27 Q28I21-D23 PolarHBondContact O-N 3.43Å; D23-F26 PolarHBondContact OD1-N 3.44Å; D23-G27 WeakPolarHBondContact OD1-CA 3.3Å; D23-G27 PolarHBondContact OD1-N 2.91Å; D23-Q28 WeakPolarHBondContact OD2-CG 3.36Å; D23-Q28 PolarHBondContact OD2-NE2 2.89Å
24G65.8Low75.1Confident65 Ų6578.2 Ų78.267%0.6745%0.445SS*.SBendtrans100.2-2.5174.900000115.4
25L74.1Confident73.8Confident122 Ų12284.4 Ų84.464%0.63947%0.473SS*.SBendtrans-139.6-56.8178.8-158.767.7000113.8
26F73.4Confident72.6Confident89 Ų8984.7 Ų84.739%0.3948%0.478SS..SBendtrans-128.9-21.2-171.4-74.6-76.4000113.1G6 C7 L8 F9 D23G6-F26 CarbonylContact C-O 3.52Å; G6-F26 WeakPolarHBondContact CA-O 3.43Å; C7-F26 PolarHBondContact N-O 2.97Å; L8-F26 VanDerWaalsContact CB-O 3.25Å; L8-F26 WeakPolarHBondContact CB-O 3.48Å; L8-F26 WeakPolarHBondContact CG-O 3.47Å; L8-F26 PolarHBondContact N-O 3.33Å; F9-F26 AromaticContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CE1 4.29Å; F9-F26 AromaticContact CE2-CD1 3.29Å; F9-F26 HydrophobicContact CE2-CD1 3.29Å; F9-F26 AromaticContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CG 4.17Å; F9-F26 HydrophobicContact CZ-CD1 4.27Å; F9-F26 HydrophobicContact CZ-CE1 4.28Å; D23-F26 PolarHBondContact OD1-N 3.44Å
27G81.2Confident71.5Confident7 Ų786.6 Ų86.67%0.07248%0.478CS..  trans80.5141.4-175.800000113.2C7 I21 D23C7-G27 PolarHBondContact N-O 2.9Å; C7-G27 PolarHBondContact SG-O 2.86Å; C7-G27 VanDerWaalsContact SG-O 3.39Å; I21-G27 CarbonylContact O-C 3.44Å; I21-G27 WeakPolarHBondContact O-CA 3.41Å; D23-G27 WeakPolarHBondContact OD1-CA 3.3Å; D23-G27 PolarHBondContact OD1-N 2.91Å
28Q81.1Confident70.7Confident124 Ų12484.4 Ų84.458%0.57947%0.472SS*.EExtended strand (participates in β ladder)trans-113.7135.5177.8-67.4179.917.800111.1C7 I21 D23 Q30C7-Q28 PolarHBondContact SG-N 3.42Å; C7-Q28 VanDerWaalsContact SG-N 3.44Å; I21-Q28 PolarHBondContact N-O 3.48Å; I21-Q28 PolarHBondContact O-N 2.98Å; D23-Q28 WeakPolarHBondContact OD2-CG 3.36Å; D23-Q28 PolarHBondContact OD2-NE2 2.89Å; Q28-Q30 PolarHBondContact O-N 3.47Å
29C82.9Confident69.8Low46 Ų4686.2 Ų86.231%0.31148%0.483SS..EExtended strand (participates in β ladder)trans-73.3117.3169.4-58.80000108.3C7 C14 E18C7-C29 VanDerWaalsContact CB-SG 3.58Å; C14-C29 WeakPolarHBondContact CA-SG 3.32Å; C14-C29 HydrophobicContact CB-CB 3.88Å; C14-C29 WeakPolarHBondContact CB-SG 3.44Å; C14-C29 VanDerWaalsContact SG-CA 3.56Å; C14-C29 WeakPolarHBondContact SG-CB 3.48Å; C14-C29 CovalentContact SG-SG 2.04Å; C14-C29 PolarHBondContact SG-SG 3.2Å; E18-C29 HydrophobicContact CB-CB 4.16Å
30Q76.7Confident69.1Low110 Ų11085.9 Ų85.951%0.51448%0.479SS..EExtended strand (participates in β ladder)trans-114.4145.2173.1-174165.277.700108.6E18 V19 I21 Q28 G32E18-Q30 CarbonylContact C-O 2.86Å; E18-Q30 WeakPolarHBondContact CA-O 3.28Å; E18-Q30 WeakPolarHBondContact CB-O 3.21Å; V19-Q30 PolarHBondContact N-O 2.93Å; V19-Q30 PolarHBondContact O-N 3.26Å; I21-Q30 HydrophobicContact CG1-CB 3.99Å; Q28-Q30 PolarHBondContact O-N 3.47Å; Q30-G32 PolarHBondContact O-N 3.31Å; Q30-G32 VanDerWaalsContact O-N 3.11Å
31A76.3Confident68.2Low44 Ų4488.8 Ų88.836%0.36449%0.489SS..EExtended strand (participates in β ladder)trans-51.3124.5174.400000109.8Q35A31-Q35 HydrophobicContact CB-CB 3.92Å
32G65.1Low67.7Low10 Ų1088.8 Ų88.810%0.10349%0.493CS..  trans-59.1165.2-174.900000111.9L17 Q30 G34 Q35L17-G32 VanDerWaalsContact O-CA 3.28Å; L17-G32 WeakPolarHBondContact O-CA 3.33Å; L17-G32 PolarHBondContact O-N 3.26Å; Q30-G32 PolarHBondContact O-N 3.31Å; Q30-G32 VanDerWaalsContact O-N 3.11Å; G32-G34 PolarHBondContact O-N 2.98Å; G32-Q35 PolarHBondContact O-N 3.4Å
33V57.5Low67.4Low138 Ų13884.3 Ų84.384%0.83648%0.475SS*.THydrogen-bonded Turntrans-51.4-1.4-168-169.20000115.6
34G54.2Low67.9Low49 Ų4984.5 Ų84.551%0.50548%0.483SS..THydrogen-bonded Turntrans-89.1-12.2168.400000116.8G32G32-G34 PolarHBondContact O-N 2.98Å
35Q55Low68.6Low148 Ų14885.6 Ų85.669%0.69248%0.479SS*.THydrogen-bonded Turntrans-123.2-10.5-174.5-68-71.662.300115.2A31 G32A31-Q35 HydrophobicContact CB-CB 3.92Å; G32-Q35 PolarHBondContact O-N 3.4Å
36A53.1Low69.1Low58 Ų5881.1 Ų81.148%0.47946%0.456SS..SBendtrans-100.4-1.4-168.800000115.3
37R52.9Low69.6Low214 Ų21481.1 Ų81.181%0.80846%0.46SS*.SBendtrans-138.9120.2171.3-67-171.1-179.2-138.3-1.2109.1L39R37-L39 PolarHBondContact O-N 2.92Å
38P55.8Low69.9Low77 Ų7786 Ų8650%0.548%0.481SS..  trans-58.9117.8166.6-12.625.8000106.6L40 R82P38-L40 HydrophobicContact CB-CD1 4.2Å; P38-L40 WeakPolarHBondContact O-CD1 3.39Å; P38-L40 PolarHBondContact O-N 2.7Å; P38-R82 HydrophobicContact CB-CG 4.48Å
39L61.1Low70.3Confident114 Ų11487.9 Ų87.960%0.59748%0.483SS*.EExtended strand (participates in β ladder)trans-65.4112166.8-89.5100.5000106.5R37 L83R37-L39 PolarHBondContact O-N 2.92Å; L39-L83 HydrophobicContact CB-CB 3.97Å; L39-L83 HydrophobicContact CB-CD1 4.06Å; L39-L83 HydrophobicContact CB-CG 4.49Å; L39-L83 VanDerWaalsContact O-CB 3.25Å; L39-L83 WeakPolarHBondContact O-CB 3.46Å; L39-L83 PolarHBondContact O-N 2.88Å
40L65.9Low70.6Confident45 Ų4587.3 Ų87.324%0.23648%0.476CS..EExtended strand (participates in β ladder)trans-78.2134.1173.2-85.568.7000108.7P38 V42 M77 I80P38-L40 HydrophobicContact CB-CD1 4.2Å; P38-L40 WeakPolarHBondContact O-CD1 3.39Å; P38-L40 PolarHBondContact O-N 2.7Å; L40-V42 VanDerWaalsContact C-N 3.29Å; L40-V42 HydrophobicContact CB-CG2 3.93Å; L40-V42 PolarHBondContact O-N 3.01Å; L40-M77 HydrophobicContact CD2-CE 3.67Å; L40-I80 HydrophobicContact CB-CG2 3.84Å; L40-I80 HydrophobicContact CD2-CB 3.79Å; L40-I80 HydrophobicContact CD2-CD1 3.76Å; L40-I80 HydrophobicContact CD2-CG1 4.29Å; L40-I80 HydrophobicContact CD2-CG2 3.79Å; L40-I80 HydrophobicContact CG-CB 4.22Å; L40-I80 HydrophobicContact CG-CG2 3.88Å
41Q66.3Low71.2Confident96 Ų9686.6 Ų86.645%0.44947%0.473SS..  trans-80.584.4169.8-152.6-177.7-0.600109.2T43 P81 L83Q41-T43 VanDerWaalsContact C-N 3.28Å; Q41-T43 HydrophobicContact CG-CG2 3.97Å; Q41-T43 PolarHBondContact O-N 3.33Å; Q41-P81 PolarHBondContact N-O 3.17Å; Q41-L83 HydrophobicContact CB-CD1 4.19Å; Q41-L83 HydrophobicContact CB-CD2 3.8Å; Q41-L83 HydrophobicContact CB-CG 3.82Å; Q41-L83 HydrophobicContact CG-CD1 4.24Å; Q41-L83 HydrophobicContact CG-CD2 3.82Å; Q41-L83 HydrophobicContact CG-CG 4.2Å
42V71Confident72Confident77 Ų7785.8 Ų85.847%0.46747%0.469SS..  trans-78.883177.1-1750000108.4L40 L47L40-V42 VanDerWaalsContact C-N 3.29Å; L40-V42 HydrophobicContact CB-CG2 3.93Å; L40-V42 PolarHBondContact O-N 3.01Å; V42-L47 HydrophobicContact CG1-CD1 3.71Å; V42-L47 HydrophobicContact CG1-CD2 3.48Å; V42-L47 VanDerWaalsContact CG1-CD2 3.48Å; V42-L47 HydrophobicContact CG1-CG 3.32Å
43T74.9Confident73.4Confident54 Ų5486.6 Ų86.633%0.33147%0.472SS..  trans-79.3156.7172.7600000110.1Q41 P45 V46 L47Q41-T43 VanDerWaalsContact C-N 3.28Å; Q41-T43 HydrophobicContact CG-CG2 3.97Å; Q41-T43 PolarHBondContact O-N 3.33Å; T43-P45 VanDerWaalsContact C-CD 3.44Å; T43-P45 VanDerWaalsContact C-N 3.32Å; T43-P45 WeakPolarHBondContact OG1-CG 3.48Å; T43-V46 WeakPolarHBondContact O-CB 3.24Å; T43-V46 PolarHBondContact O-N 3.43Å; T43-V46 WeakPolarHBondContact OG1-CG2 3.49Å; T43-L47 PolarHBondContact O-N 3.11Å; T43-L47 VanDerWaalsContact O-N 3.16Å
44S80.9Confident75.1Confident87 Ų8782.2 Ų82.261%0.60844%0.443SS*.Hα-helixtrans-44.7-46.5175.2-1770000114.4V46 L47 Q48S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.46Å; S44-L47 PolarHBondContact O-N 3.39Å; S44-Q48 WeakPolarHBondContact O-CG 3.46Å; S44-Q48 PolarHBondContact O-N 2.95Å
45P81.5Confident77Confident88 Ų8885.5 Ų85.557%0.57144%0.441SS*.Hα-helixtrans-65.8-29.7177.624.4-35.2000114.2T43 R49T43-P45 VanDerWaalsContact C-CD 3.44Å; T43-P45 VanDerWaalsContact C-N 3.32Å; T43-P45 WeakPolarHBondContact OG1-CG 3.48Å; P45-R49 PolarHBondContact O-N 3.38Å
46V84.6Confident78.9Confident28 Ų2884.5 Ų84.517%0.1744%0.436CS..Hα-helixtrans-68.8-43.9176171.40000110.6T43 S44 R49 L50 I80T43-V46 WeakPolarHBondContact O-CB 3.24Å; T43-V46 PolarHBondContact O-N 3.43Å; T43-V46 WeakPolarHBondContact OG1-CG2 3.49Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.46Å; V46-R49 PolarHBondContact O-N 2.86Å; V46-L50 PolarHBondContact O-N 2.98Å; V46-I80 HydrophobicContact CG1-CB 4.26Å; V46-I80 HydrophobicContact CG1-CD1 3.61Å; V46-I80 HydrophobicContact CG1-CG1 3.54Å; V46-I80 HydrophobicContact CG1-CG2 3.93Å
47L83.1Confident80.9Confident90 Ų9082.5 Ų82.547%0.47142%0.417SS..Hα-helixtrans-61.6-44.6175.9-77.3167.1000112.1V42 T43 S44 R49 L50 Q51V42-L47 HydrophobicContact CG1-CD1 3.71Å; V42-L47 HydrophobicContact CG1-CD2 3.48Å; V42-L47 VanDerWaalsContact CG1-CD2 3.48Å; V42-L47 HydrophobicContact CG1-CG 3.32Å; T43-L47 PolarHBondContact O-N 3.11Å; T43-L47 VanDerWaalsContact O-N 3.16Å; S44-L47 PolarHBondContact O-N 3.39Å; L47-R49 VanDerWaalsContact C-N 3.25Å; L47-R49 PolarHBondContact O-N 3.42Å; L47-L50 PolarHBondContact O-N 3.28Å; L47-Q51 VanDerWaalsContact O-CB 3.27Å; L47-Q51 WeakPolarHBondContact O-CB 3.5Å; L47-Q51 PolarHBondContact O-N 3.25Å
48Q87.2Confident82.7Confident108 Ų10878.4 Ų78.451%0.50541%0.409SS..Hα-helixtrans-59.2-40.3178.5-75.4-64.2-29.300111.7S44 G52S44-Q48 WeakPolarHBondContact O-CG 3.46Å; S44-Q48 PolarHBondContact O-N 2.95Å; Q48-G52 PolarHBondContact O-N 3.35Å
49R89.3Confident84.6Confident165 Ų16579.4 Ų79.462%0.62342%0.417SS*.Hα-helixtrans-65.2-51.4176.9-166.6-175.7-67.1-84.3-1.8111.7P45 V46 L47 Q51 G52 V53 E76P45-R49 PolarHBondContact O-N 3.38Å; V46-R49 PolarHBondContact O-N 2.86Å; L47-R49 VanDerWaalsContact C-N 3.25Å; L47-R49 PolarHBondContact O-N 3.42Å; R49-Q51 VanDerWaalsContact C-N 3.31Å; R49-Q51 PolarHBondContact O-N 3.46Å; R49-G52 WeakPolarHBondContact O-CA 2.8Å; R49-G52 PolarHBondContact O-N 3.29Å; R49-G52 VanDerWaalsContact O-N 3.09Å; R49-V53 WeakPolarHBondContact O-CG2 3.08Å; R49-V53 PolarHBondContact O-N 2.96Å; R49-E76 WeakPolarHBondContact CD-OE1 3.25Å; R49-E76 WeakPolarHBondContact CG-OE1 3.28Å
50L89.8Confident86.2Confident34 Ų3479.6 Ų79.618%0.17842%0.415CS..Hα-helixtrans-58.7-44.2178.3-171.271.5000111.3V46 L47 G52 V53 L54 E76 M77V46-L50 PolarHBondContact O-N 2.98Å; L47-L50 PolarHBondContact O-N 3.28Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.46Å; L50-V53 PolarHBondContact O-N 2.99Å; L50-L54 HydrophobicContact CG-CD1 4.39Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.04Å; L50-E76 HydrophobicContact CD1-CB 4.03Å; L50-E76 HydrophobicContact CD1-CG 3.82Å; L50-M77 HydrophobicContact CD1-SD 4.12Å; L50-M77 HydrophobicContact CD2-SD 3.96Å
51Q90Very high87.6Confident95 Ų9580.7 Ų80.744%0.44444%0.437SS..Hα-helixtrans-65.7-34.4177.8-158.6-177.148.700112.2L47 R49 R55L47-Q51 VanDerWaalsContact O-CB 3.27Å; L47-Q51 WeakPolarHBondContact O-CB 3.5Å; L47-Q51 PolarHBondContact O-N 3.25Å; R49-Q51 VanDerWaalsContact C-N 3.31Å; R49-Q51 PolarHBondContact O-N 3.46Å; Q51-R55 WeakPolarHBondContact O-CB 3.48Å; Q51-R55 WeakPolarHBondContact O-CG 3.5Å; Q51-R55 PolarHBondContact O-N 3.04Å; Q51-R55 PolarHBondContact O-NE 3.49Å
52G92.9Very high88.9Confident26 Ų2678 Ų7827%0.26843%0.426SS..Hα-helixtrans-61.4-49.1171.700000112.3Q48 R49 L50 L54 R55 Q56Q48-G52 PolarHBondContact O-N 3.35Å; R49-G52 WeakPolarHBondContact O-CA 2.8Å; R49-G52 PolarHBondContact O-N 3.29Å; R49-G52 VanDerWaalsContact O-N 3.09Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.46Å; G52-L54 PolarHBondContact O-N 3.03Å; G52-R55 PolarHBondContact O-N 3.33Å; G52-Q56 WeakPolarHBondContact O-CB 3.49Å; G52-Q56 PolarHBondContact O-N 2.92Å
53V94Very high90Very high28 Ų2876.7 Ų76.717%0.1742%0.42CS..Hα-helixtrans-58.8-47.1176.8173.90000110.8R49 L50 R55 Q56 L57 V72 E76R49-V53 WeakPolarHBondContact O-CG2 3.08Å; R49-V53 PolarHBondContact O-N 2.96Å; L50-V53 PolarHBondContact O-N 2.99Å; V53-R55 PolarHBondContact O-N 3.3Å; V53-Q56 PolarHBondContact O-N 3.37Å; V53-L57 HydrophobicContact CG1-CD1 3.82Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.2Å; V53-L57 PolarHBondContact O-N 2.94Å; V53-V72 HydrophobicContact CG1-CG1 3.62Å; V53-E76 HydrophobicContact CG2-CG 4.15Å
54L93.2Very high90.6Very high46 Ų4680.7 Ų80.724%0.24143%0.429CS..Hα-helixtrans-61.6-45.1179.2-69.1172.4000112.5L50 G52 Q56 L57 M58 W64 I73L50-L54 HydrophobicContact CG-CD1 4.39Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.04Å; G52-L54 PolarHBondContact O-N 3.03Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 2.87Å; L54-L57 PolarHBondContact O-N 3.42Å; L54-M58 WeakPolarHBondContact O-CG 3.1Å; L54-M58 PolarHBondContact O-N 3.28Å; L54-W64 HydrophobicContact CD2-CE3 4.12Å; L54-W64 HydrophobicContact CD2-CZ3 3.7Å; L54-I73 HydrophobicContact CD2-CD1 3.66Å; L54-I73 HydrophobicContact CD2-CG1 3.77Å
55R94.6Very high91.1Very high118 Ų11883.9 Ų83.945%0.44543%0.434SS..Hα-helixtrans-59.5-42.7175.5-78.7-176.6-67.8-115-3.9111.6Q51 G52 V53 M58 S59Q51-R55 WeakPolarHBondContact O-CB 3.48Å; Q51-R55 WeakPolarHBondContact O-CG 3.5Å; Q51-R55 PolarHBondContact O-N 3.04Å; Q51-R55 PolarHBondContact O-NE 3.49Å; G52-R55 PolarHBondContact O-N 3.33Å; V53-R55 PolarHBondContact O-N 3.3Å; R55-M58 PolarHBondContact O-N 3.37Å; R55-S59 WeakPolarHBondContact O-CB 3.27Å; R55-S59 PolarHBondContact O-N 3.39Å; R55-S59 PolarHBondContact O-OG 3.09Å
56Q94.9Very high91.7Very high127 Ų12782.3 Ų82.359%0.59342%0.421SS*.Hα-helixtrans-66.1-39.5179.6179.1173.1-24.500112.4G52 V53 L54 S59 Q60G52-Q56 WeakPolarHBondContact O-CB 3.49Å; G52-Q56 PolarHBondContact O-N 2.92Å; V53-Q56 PolarHBondContact O-N 3.37Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 2.87Å; Q56-S59 WeakPolarHBondContact CA-OG 3.2Å; Q56-S59 PolarHBondContact O-OG 3.36Å; Q56-Q60 WeakPolarHBondContact O-CG 3.43Å; Q56-Q60 PolarHBondContact O-N 2.75Å; Q56-Q60 PolarHBondContact O-NE2 3.18Å
57L94.8Very high92.2Very high15 Ų1588 Ų888%0.07945%0.45CS..Hα-helixtrans-66.1-45.8175.7-67.7169.5000110.8V53 L54 S59 Q60 L62 T69 V72 I73V53-L57 HydrophobicContact CG1-CD1 3.82Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.2Å; V53-L57 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 3.42Å; L57-S59 PolarHBondContact O-N 3.24Å; L57-Q60 WeakPolarHBondContact O-CB 3.43Å; L57-Q60 PolarHBondContact O-N 2.95Å; L57-Q60 VanDerWaalsContact O-N 3.14Å; L57-L62 HydrophobicContact CB-CD1 4.45Å; L57-L62 HydrophobicContact CD2-CD1 3.6Å; L57-L62 WeakPolarHBondContact O-CB 3.44Å; L57-L62 PolarHBondContact O-N 3.44Å; L57-T69 HydrophobicContact CD1-CG2 4.03Å; L57-V72 HydrophobicContact CD1-CB 4.25Å; L57-V72 HydrophobicContact CD1-CG1 4Å; L57-V72 HydrophobicContact CD2-CG1 4.48Å; L57-I73 HydrophobicContact CD1-CG1 4.35Å
58M91.6Very high92.7Very high129 Ų12988.5 Ų88.564%0.63545%0.453SS*.Hα-helixtrans-64.9-36.7177.4-68.7-166.7-60.500112.7L54 R55 Q60 G61L54-M58 WeakPolarHBondContact O-CG 3.1Å; L54-M58 PolarHBondContact O-N 3.28Å; R55-M58 PolarHBondContact O-N 3.37Å; M58-Q60 PolarHBondContact O-N 3.43Å; M58-G61 PolarHBondContact O-N 2.89Å
59S95.4Very high93Very high97 Ų9783.5 Ų83.568%0.67843%0.43SS*.Hα-helixtrans-66.9-21.8176.4630000113.4R55 Q56 L57R55-S59 WeakPolarHBondContact O-CB 3.27Å; R55-S59 PolarHBondContact O-N 3.39Å; R55-S59 PolarHBondContact O-OG 3.09Å; Q56-S59 WeakPolarHBondContact CA-OG 3.2Å; Q56-S59 PolarHBondContact O-OG 3.36Å; L57-S59 PolarHBondContact O-N 3.24Å
60Q94.4Very high93.3Very high119 Ų11978.9 Ų78.956%0.55642%0.415SS*.THydrogen-bonded Turntrans-83.5-0.8173.2-71.2170.277.100112.4Q56 L57 M58 L62Q56-Q60 WeakPolarHBondContact O-CG 3.43Å; Q56-Q60 PolarHBondContact O-N 2.75Å; Q56-Q60 PolarHBondContact O-NE2 3.18Å; L57-Q60 WeakPolarHBondContact O-CB 3.43Å; L57-Q60 PolarHBondContact O-N 2.95Å; L57-Q60 VanDerWaalsContact O-N 3.14Å; M58-Q60 PolarHBondContact O-N 3.43Å; Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 HydrophobicContact CB-CG 4.4Å
61G94.5Very high93.6Very high67 Ų6782.9 Ų82.969%0.69143%0.432SS*.THydrogen-bonded Turntrans7910.7-177.700000113.9M58M58-G61 PolarHBondContact O-N 2.89Å
62L95.2Very high93.7Very high41 Ų4180.1 Ų80.122%0.21542%0.422CS..  trans-73.3133.5174.6-62.5170.9000109.8L57 Q60 D66 L68 T69L57-L62 HydrophobicContact CB-CD1 4.45Å; L57-L62 HydrophobicContact CD2-CD1 3.6Å; L57-L62 WeakPolarHBondContact O-CB 3.44Å; L57-L62 PolarHBondContact O-N 3.44Å; Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 HydrophobicContact CB-CG 4.4Å; L62-D66 WeakPolarHBondContact CA-OD2 2.97Å; L62-L68 HydrophobicContact CD1-CD2 4Å; L62-L68 HydrophobicContact CD1-CG 4.49Å; L62-L68 HydrophobicContact CD2-CD2 4.4Å; L62-T69 WeakPolarHBondContact CB-OG1 3.4Å
63S92.8Very high93.7Very high49 Ų4979.5 Ų79.534%0.34341%0.413SS..  trans-74.2152174950000110.1H65 D66 T69S63-H65 PolarHBondContact O-N 3.16Å; S63-H65 PolarHBondContact OG-N 3.36Å; S63-H65 VanDerWaalsContact OG-N 3.15Å; S63-D66 WeakPolarHBondContact CB-OD1 3.09Å; S63-D66 PolarHBondContact N-OD2 3.01Å; S63-D66 PolarHBondContact O-N 3.32Å; S63-D66 PolarHBondContact OG-N 3.07Å; S63-D66 VanDerWaalsContact OG-N 3.1Å; S63-D66 PolarHBondContact OG-OD1 3.49Å; S63-T69 VanDerWaalsContact O-CB 3.25Å; S63-T69 WeakPolarHBondContact O-CB 3.43Å; S63-T69 WeakPolarHBondContact O-CG2 3.46Å; S63-T69 PolarHBondContact O-OG1 3.25Å
64W87.4Confident93.4Very high137 Ų13781 Ų8152%0.51943%0.425SS..THydrogen-bonded Turntrans-55.8-31.6170.8169-103.1000111.7L54 Q70 I73L54-W64 HydrophobicContact CD2-CE3 4.12Å; L54-W64 HydrophobicContact CD2-CZ3 3.7Å; W64-Q70 PolarHBondContact O-NE2 3.07Å; W64-I73 HydrophobicContact CE3-CD1 3.61Å; W64-I73 HydrophobicContact CH2-CD1 3.8Å; W64-I73 HydrophobicContact CH2-CG2 4.41Å; W64-I73 HydrophobicContact CZ3-CD1 3.18Å; W64-I73 HydrophobicContact CZ3-CG1 4.3Å
65H91.3Very high93.4Very high154 Ų15483.2 Ų83.271%0.71343%0.433SS*.THydrogen-bonded Turntrans-88.5-3.4-175.9-68.5-82.2000114.1S63S63-H65 PolarHBondContact O-N 3.16Å; S63-H65 PolarHBondContact OG-N 3.36Å; S63-H65 VanDerWaalsContact OG-N 3.15Å
66D94.9Very high93.1Very high56 Ų5678.3 Ų78.330%0.29942%0.415SS..SBendtrans-66.7140.8179.5-65.8-17.4000110.9L62 S63 L68 T69 Q70L62-D66 WeakPolarHBondContact CA-OD2 2.97Å; S63-D66 WeakPolarHBondContact CB-OD1 3.09Å; S63-D66 PolarHBondContact N-OD2 3.01Å; S63-D66 PolarHBondContact O-N 3.32Å; S63-D66 PolarHBondContact OG-N 3.07Å; S63-D66 VanDerWaalsContact OG-N 3.1Å; S63-D66 PolarHBondContact OG-OD1 3.49Å; D66-L68 PolarHBondContact O-N 2.94Å; D66-T69 WeakPolarHBondContact O-CB 3.25Å; D66-T69 PolarHBondContact O-N 2.85Å; D66-Q70 WeakPolarHBondContact O-CG 3.21Å; D66-Q70 PolarHBondContact O-N 3.36Å
67D94.8Very high92.6Very high148 Ų14875.4 Ų75.479%0.79140%0.403SS*.Hα-helixtrans-57-38.7179.7-62.4-53.9000112Q70 H71D67-Q70 PolarHBondContact O-N 3.05Å; D67-H71 WeakPolarHBondContact O-CB 3.39Å; D67-H71 PolarHBondContact O-N 3.28Å
68L93.7Very high92.2Very high100 Ų10081.8 Ų81.852%0.52443%0.432SS..Hα-helixtrans-63.5-46.5175.8179.260.9000111.6L62 D66 H71 V72L62-L68 HydrophobicContact CD1-CD2 4Å; L62-L68 HydrophobicContact CD1-CG 4.49Å; L62-L68 HydrophobicContact CD2-CD2 4.4Å; D66-L68 PolarHBondContact O-N 2.94Å; L68-H71 PolarHBondContact O-N 3.06Å; L68-V72 HydrophobicContact CD1-CG2 4.25Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.27Å; L68-V72 PolarHBondContact O-N 3.1Å
69T93.1Very high91.9Very high3 Ų383.3 Ų83.32%0.01843%0.431CS..Hα-helixtrans-60-48.9177.2-63.10000110.4L57 L62 S63 D66 H71 V72 I73L57-T69 HydrophobicContact CD1-CG2 4.03Å; L62-T69 WeakPolarHBondContact CB-OG1 3.4Å; S63-T69 VanDerWaalsContact O-CB 3.25Å; S63-T69 WeakPolarHBondContact O-CB 3.43Å; S63-T69 WeakPolarHBondContact O-CG2 3.46Å; S63-T69 PolarHBondContact O-OG1 3.25Å; D66-T69 WeakPolarHBondContact O-CB 3.25Å; D66-T69 PolarHBondContact O-N 2.85Å; T69-H71 VanDerWaalsContact C-N 3.33Å; T69-H71 PolarHBondContact O-N 2.88Å; T69-V72 PolarHBondContact O-N 3.36Å; T69-I73 HydrophobicContact CG2-CD1 3.43Å; T69-I73 VanDerWaalsContact CG2-CD1 3.43Å; T69-I73 HydrophobicContact CG2-CG1 4.39Å; T69-I73 WeakPolarHBondContact O-CB 3.03Å; T69-I73 VanDerWaalsContact O-CD1 3.28Å; T69-I73 WeakPolarHBondContact O-CD1 3.39Å; T69-I73 WeakPolarHBondContact O-CG1 3.38Å; T69-I73 PolarHBondContact O-N 3.11Å
70Q95.9Very high91.3Very high67 Ų6779.1 Ų79.131%0.31340%0.401SS..Hα-helixtrans-59.9-41.7178-70.8-60.9-49.700112.2W64 D66 D67 S74W64-Q70 PolarHBondContact O-NE2 3.07Å; D66-Q70 WeakPolarHBondContact O-CG 3.21Å; D66-Q70 PolarHBondContact O-N 3.36Å; D67-Q70 PolarHBondContact O-N 3.05Å; Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.23Å; Q70-S74 PolarHBondContact O-N 3.37Å; Q70-S74 PolarHBondContact O-OG 2.03Å
71H95.3Very high90.5Very high118 Ų11876.9 Ų76.955%0.54640%0.397SS..Hα-helixtrans-62.9-48.9177.1-179.974000111.9D67 L68 T69 I73 S74 Q75D67-H71 WeakPolarHBondContact O-CB 3.39Å; D67-H71 PolarHBondContact O-N 3.28Å; L68-H71 PolarHBondContact O-N 3.06Å; T69-H71 VanDerWaalsContact C-N 3.33Å; T69-H71 PolarHBondContact O-N 2.88Å; H71-I73 PolarHBondContact O-N 2.86Å; H71-S74 PolarHBondContact O-N 3.34Å; H71-Q75 PolarHBondContact O-N 2.04Å
72V94.1Very high89.6Confident37 Ų3779.2 Ų79.222%0.22439%0.385CS..Hα-helixtrans-62.9-43.6-179.7172.10000111.2V53 L57 L68 T69 Q75 E76V53-V72 HydrophobicContact CG1-CG1 3.62Å; L57-V72 HydrophobicContact CD1-CB 4.25Å; L57-V72 HydrophobicContact CD1-CG1 4Å; L57-V72 HydrophobicContact CD2-CG1 4.48Å; L68-V72 HydrophobicContact CD1-CG2 4.25Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.27Å; L68-V72 PolarHBondContact O-N 3.1Å; T69-V72 PolarHBondContact O-N 3.36Å; V72-Q75 PolarHBondContact O-N 2.89Å; V72-E76 WeakPolarHBondContact O-CB 3.08Å; V72-E76 PolarHBondContact O-N 2.76Å
73I91.4Very high88Confident14 Ų1480.5 Ų80.57%0.07239%0.391CS..Hα-helixtrans-63.6-44.2176.9-66.3157.5000110.5L54 L57 W64 T69 H71 Q75 E76 M77L54-I73 HydrophobicContact CD2-CD1 3.66Å; L54-I73 HydrophobicContact CD2-CG1 3.77Å; L57-I73 HydrophobicContact CD1-CG1 4.35Å; W64-I73 HydrophobicContact CE3-CD1 3.61Å; W64-I73 HydrophobicContact CH2-CD1 3.8Å; W64-I73 HydrophobicContact CH2-CG2 4.41Å; W64-I73 HydrophobicContact CZ3-CD1 3.18Å; W64-I73 HydrophobicContact CZ3-CG1 4.3Å; T69-I73 HydrophobicContact CG2-CD1 3.43Å; T69-I73 VanDerWaalsContact CG2-CD1 3.43Å; T69-I73 HydrophobicContact CG2-CG1 4.39Å; T69-I73 WeakPolarHBondContact O-CB 3.03Å; T69-I73 VanDerWaalsContact O-CD1 3.28Å; T69-I73 WeakPolarHBondContact O-CD1 3.39Å; T69-I73 WeakPolarHBondContact O-CG1 3.38Å; T69-I73 PolarHBondContact O-N 3.11Å; H71-I73 PolarHBondContact O-N 2.86Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 2.69Å; I73-E76 PolarHBondContact O-N 2.92Å; I73-E76 VanDerWaalsContact O-N 3.11Å; I73-M77 HydrophobicContact CG2-CG 4.17Å; I73-M77 WeakPolarHBondContact O-CB 3.07Å; I73-M77 VanDerWaalsContact O-CG 3.24Å; I73-M77 WeakPolarHBondContact O-CG 3.17Å; I73-M77 PolarHBondContact O-N 2.65Å
74S89.3Confident86.5Confident60 Ų6089.2 Ų89.242%0.4242%0.417SS..Hα-helixtrans-58.1-44.8178.6-60.30000111.2Q70 H71 E76 M77 E78Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.23Å; Q70-S74 PolarHBondContact O-N 3.37Å; Q70-S74 PolarHBondContact O-OG 2.03Å; H71-S74 PolarHBondContact O-N 3.34Å; S74-E76 VanDerWaalsContact C-N 3.34Å; S74-E76 PolarHBondContact O-N 3.05Å; S74-M77 WeakPolarHBondContact O-CB 3.29Å; S74-M77 PolarHBondContact O-N 3.01Å; S74-E78 WeakPolarHBondContact O-CG 3.16Å; S74-E78 PolarHBondContact O-N 2.79Å
75Q91.6Very high85.1Confident91 Ų9185.5 Ų85.543%0.42541%0.41SS..Hα-helixtrans-63.5-39.3175.7-168.9175.452.100112.3H71 V72 I73 M77 E78 R79H71-Q75 PolarHBondContact O-N 2.04Å; V72-Q75 PolarHBondContact O-N 2.89Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 2.69Å; Q75-M77 VanDerWaalsContact C-N 3.32Å; Q75-M77 PolarHBondContact O-N 3.03Å; Q75-E78 PolarHBondContact O-N 2.95Å; Q75-R79 PolarHBondContact O-N 3.4Å
76E89.9Confident83.2Confident15 Ų1583.4 Ų83.47%0.0741%0.411CS..Hα-helixtrans-68.2-33.6177.4-16160.4-163.600112R49 L50 V53 V72 I73 S74 R79R49-E76 WeakPolarHBondContact CD-OE1 3.25Å; R49-E76 WeakPolarHBondContact CG-OE1 3.28Å; L50-E76 HydrophobicContact CD1-CB 4.03Å; L50-E76 HydrophobicContact CD1-CG 3.82Å; V53-E76 HydrophobicContact CG2-CG 4.15Å; V72-E76 WeakPolarHBondContact O-CB 3.08Å; V72-E76 PolarHBondContact O-N 2.76Å; I73-E76 PolarHBondContact O-N 2.92Å; I73-E76 VanDerWaalsContact O-N 3.11Å; S74-E76 VanDerWaalsContact C-N 3.34Å; S74-E76 PolarHBondContact O-N 3.05Å; E76-R79 PolarHBondContact O-N 2.95Å; E76-R79 IonicContact OE2-CZ 3.89Å; E76-R79 IonicContact OE2-NH1 2.96Å; E76-R79 PolarHBondContact OE2-NH1 2.75Å
77M84.4Confident81.4Confident67 Ų6788.8 Ų88.833%0.3343%0.434SS..Hα-helixtrans-70.3-30.1173.8-69.3-61.9-6400113L40 L50 I73 S74 Q75 R79 I80 R82L40-M77 HydrophobicContact CD2-CE 3.67Å; L50-M77 HydrophobicContact CD1-SD 4.12Å; L50-M77 HydrophobicContact CD2-SD 3.96Å; I73-M77 HydrophobicContact CG2-CG 4.17Å; I73-M77 WeakPolarHBondContact O-CB 3.07Å; I73-M77 VanDerWaalsContact O-CG 3.24Å; I73-M77 WeakPolarHBondContact O-CG 3.17Å; I73-M77 PolarHBondContact O-N 2.65Å; S74-M77 WeakPolarHBondContact O-CB 3.29Å; S74-M77 PolarHBondContact O-N 3.01Å; Q75-M77 VanDerWaalsContact C-N 3.32Å; Q75-M77 PolarHBondContact O-N 3.03Å; M77-R79 VanDerWaalsContact C-N 3.31Å; M77-I80 HydrophobicContact CE-CD1 4Å; M77-I80 PolarHBondContact O-N 2.86Å; M77-I80 HydrophobicContact SD-CD1 3.67Å; M77-R82 PolarHBondContact O-NH2 3.41Å
78E85.5Confident79.5Confident149 Ų14987.7 Ų87.770%0.69644%0.435SS*.Hα-helixtrans-68.5-30.1173.7-76.1176.3179.200112.6S74 Q75 I80S74-E78 WeakPolarHBondContact O-CG 3.16Å; S74-E78 PolarHBondContact O-N 2.79Å; Q75-E78 PolarHBondContact O-N 2.95Å; E78-I80 PolarHBondContact O-N 3.48Å
79R84.3Confident77.5Confident160 Ų16090.4 Ų90.460%0.60444%0.444SS*.THydrogen-bonded Turntrans-71.4-11.8177.5-69.5173.1169.8172.6-2.7113.9Q75 E76 M77 P81Q75-R79 PolarHBondContact O-N 3.4Å; E76-R79 PolarHBondContact O-N 2.95Å; E76-R79 IonicContact OE2-CZ 3.89Å; E76-R79 IonicContact OE2-NH1 2.96Å; E76-R79 PolarHBondContact OE2-NH1 2.75Å; M77-R79 VanDerWaalsContact C-N 3.31Å; R79-P81 WeakPolarHBondContact O-CD 3.08Å
80I82.7Confident75.9Confident9 Ų996.2 Ų96.25%0.04648%0.482CS..SBendtrans-74.7122.9-179.7-54.3-177.8000109.6L40 V46 M77 E78 R82L40-I80 HydrophobicContact CB-CG2 3.84Å; L40-I80 HydrophobicContact CD2-CB 3.79Å; L40-I80 HydrophobicContact CD2-CD1 3.76Å; L40-I80 HydrophobicContact CD2-CG1 4.29Å; L40-I80 HydrophobicContact CD2-CG2 3.79Å; L40-I80 HydrophobicContact CG-CB 4.22Å; L40-I80 HydrophobicContact CG-CG2 3.88Å; V46-I80 HydrophobicContact CG1-CB 4.26Å; V46-I80 HydrophobicContact CG1-CD1 3.61Å; V46-I80 HydrophobicContact CG1-CG1 3.54Å; V46-I80 HydrophobicContact CG1-CG2 3.93Å; M77-I80 HydrophobicContact CE-CD1 4Å; M77-I80 PolarHBondContact O-N 2.86Å; M77-I80 HydrophobicContact SD-CD1 3.67Å; E78-I80 PolarHBondContact O-N 3.48Å; I80-R82 PolarHBondContact O-N 3.12Å; I80-R82 PolarHBondContact O-NE 3.36Å
81P77.9Confident74.1Confident73 Ų73104.3 Ų104.347%0.47451%0.51SS..PPolyproline II helixtrans-53.8128.9176.6-26.435000111.8Q41 R79Q41-P81 PolarHBondContact N-O 3.17Å; R79-P81 WeakPolarHBondContact O-CD 3.08Å
82R76.8Confident71.9Confident115 Ų115106.1 Ų106.143%0.43452%0.524SS..EExtended strand (participates in β ladder)trans-87.7124.2177.9-54.9-65.6167.5142.6-4.8108.6P38 M77 I80 R84P38-R82 HydrophobicContact CB-CG 4.48Å; M77-R82 PolarHBondContact O-NH2 3.41Å; I80-R82 PolarHBondContact O-N 3.12Å; I80-R82 PolarHBondContact O-NE 3.36Å; R82-R84 PolarHBondContact O-N 3.04Å
83L61.4Low70.3Confident68 Ų68115.6 Ų115.636%0.35656%0.555SS.*EExtended strand (participates in β ladder)trans-70.2123.4169.5-63.8173.4000107.7L39 Q41L39-L83 HydrophobicContact CB-CB 3.97Å; L39-L83 HydrophobicContact CB-CD1 4.06Å; L39-L83 HydrophobicContact CB-CG 4.49Å; L39-L83 VanDerWaalsContact O-CB 3.25Å; L39-L83 WeakPolarHBondContact O-CB 3.46Å; L39-L83 PolarHBondContact O-N 2.88Å; Q41-L83 HydrophobicContact CB-CD1 4.19Å; Q41-L83 HydrophobicContact CB-CD2 3.8Å; Q41-L83 HydrophobicContact CB-CG 3.82Å; Q41-L83 HydrophobicContact CG-CD1 4.24Å; Q41-L83 HydrophobicContact CG-CD2 3.82Å; Q41-L83 HydrophobicContact CG-CG 4.2Å
84R60.8Low68.4Low232 Ų232119.6 Ų119.688%0.87559%0.585SS**PPolyproline II helixtrans-66.3130.7163-68.3-167.5-179101.60.6107.1R82R82-R84 PolarHBondContact O-N 3.04Å
85P57.5Low66.7Low59 Ų59120.5 Ų120.538%0.38360%0.603SS.*PPolyproline II helixtrans-52.3139167.6-21.531.4000108.8E87P85-E87 PolarHBondContact O-N 3.18Å
86P52.6Low65Low111 Ų111123.3 Ų123.372%0.72162%0.621SS**PPolyproline II helixtrans-56.6126.6172.923.2-30.9000108.1
87E56.4Low63.5Low168 Ų168128.5 Ų128.579%0.78565%0.653SS**PPolyproline II helixtrans-55136.5175.3-67.1177.190.200108.5P85 H89P85-E87 PolarHBondContact O-N 3.18Å; E87-H89 PolarHBondContact O-N 3.22Å; E87-H89 PolarHBondContact O-ND1 2.83Å
88P54.7Low61.8Low126 Ų126131.1 Ų131.182%0.81868%0.675SS**  trans-63.1102.2175.924-30.3000108.1
89H51.9Low60.3Low156 Ų156134.5 Ų134.572%0.72268%0.681SS**  trans-51.9122.6173.7-58.376.8000108E87 R91E87-H89 PolarHBondContact O-N 3.22Å; E87-H89 PolarHBondContact O-ND1 2.83Å; H89-R91 PolarHBondContact O-N 3.11Å
90P58.7Low58.4Low125 Ų125135.9 Ų135.981%0.81269%0.692SS**  trans-60.9111.5173.122.7-28.9000106.9D92P90-D92 PolarHBondContact O-N 2.93Å; P90-D92 VanDerWaalsContact O-N 3.11Å
91R58.1Low56.6Low238 Ų238140.7 Ų140.790%0.89872%0.723SS**  trans-55.7122.1172.2-87.3-161.2172.3-162.3-0.4107.6H89 R93H89-R91 PolarHBondContact O-N 3.11Å; R91-R93 PolarHBondContact O-N 3.21Å
92D50.9Low54.7Low155 Ų155140.5 Ų140.583%0.82973%0.734SS**  trans-54.8100.3176.5-150.9-37.3000109.4P90 S94P90-D92 PolarHBondContact O-N 2.93Å; P90-D92 VanDerWaalsContact O-N 3.11Å; D92-S94 VanDerWaalsContact C-N 3.31Å; D92-S94 PolarHBondContact O-N 2.89Å
93R60Low53.2Low236 Ų236141 Ų14189%0.89175%0.753SS**  trans-88.276.6176.7-167.7-179.3-173.3173.71.9107.3R91R91-R93 PolarHBondContact O-N 3.21Å
94S51.6Low52.1Low99 Ų99142.9 Ų142.969%0.69278%0.778SS**  trans-162.458.4154.4-87.90000112.5D92 L96D92-S94 VanDerWaalsContact C-N 3.31Å; D92-S94 PolarHBondContact O-N 2.89Å; S94-L96 PolarHBondContact O-N 3.23Å
95G53.1Low50.9Low78 Ų78135.2 Ų135.280%0.80477%0.771SS**  trans-75.780.6143.100000109.1
96L55Low49.9Very low151 Ų151141.8 Ų141.879%0.79180%0.796SS**  trans-141.984.1162.9-73.2179.2000108.1S94 P98S94-L96 PolarHBondContact O-N 3.23Å; L96-P98 WeakPolarHBondContact O-CD 3.2Å
97V59Low49.3Very low124 Ų124144.1 Ų144.175%0.75280%0.802SS**  trans-57119.3159.4165.70000107.4R99V97-R99 PolarHBondContact O-N 3.19Å
98P49.3Very low48.6Very low121 Ų121143.2 Ų143.279%0.78680%0.802SS**  trans-69.5101.8167.2-15.932.1000107.7L96 K100L96-P98 WeakPolarHBondContact O-CD 3.2Å; P98-K100 PolarHBondContact O-N 2.98Å
99R52.6Low47.6Very low220 Ų220142.8 Ų142.883%0.8380%0.797SS**  trans-67.4111.5158.7-61.2-139.488.3-109.30.3106.1V97V97-R99 PolarHBondContact O-N 3.19Å
100K46.3Very low46.9Very low190 Ų190143.8 Ų143.883%0.82680%0.802SS**  trans-109.5127.1162.5-157.2175.6172-178.10109.8P98P98-K100 PolarHBondContact O-N 2.98Å
101P44.1Very low45.8Very low110 Ų110141.6 Ų141.671%0.71480%0.802SS**  trans-65.6148.9175.9-1528.7000111.7
102G38.5Very low44.8Very low68 Ų68137.2 Ų137.270%0.70180%0.796SS**  trans-65173.3170.700000112.9
103P45.1Very low44.6Very low127 Ų127134.8 Ų134.883%0.82579%0.789SS**  -146.6155.910434.7-17.4000116.7
104A37.6Very low43.6Very low107 Ų107130.2 Ų130.288%0.88479%0.788SS**  trans42.4122.9141.300000121.9
105G35.4Very low42.9Very low70 Ų70128.7 Ų128.772%0.72279%0.787SS**  trans124.192.6145.800000114.1
106E38Very low42.1Very low197 Ų197131.1 Ų131.192%0.92179%0.792SS**  176.9132.2110.5-96.5177.875.400111
107L39.5Very low41.6Very low161 Ų161129.5 Ų129.584%0.84379%0.793SS**  trans-102.4111.9-174.7163.6100000106.6
108L40.4Very low41Very low149 Ų149129.4 Ų129.478%0.7880%0.795SS**  trans-151.4107.8157.3-71.4-178.6000110.7
109T34.2Very low40.3Very low116 Ų116128.1 Ų128.171%0.71280%0.795SS**  42.3131.3129.12.50000118.1
110Q38.3Very low39.7Very low178 Ų178121.5 Ų121.583%0.83279%0.787SS**  cis-174.912542-175.8160.77300108.4
111G35Very low39.7Very low78 Ų78121.9 Ų121.980%0.80479%0.792SS**  trans-98.6132.3166.200000109.8
112N37.4Very low39.4Very low146 Ų146120.1 Ų120.178%0.78179%0.794SS**  trans-147.9121.4155.3-170.418.1000109.2
113P46.4Very low39.5Very low105 Ų105127 Ų12768%0.68280%0.804SS**  trans-86.3142167.834.3-28.6000108.9
114T38.3Very low39.7Very low140 Ų140126.7 Ų126.786%0.85980%0.803SS**  trans177.3121.8141-660000109.9
115G37.5Very low40.5Very low66 Ų66132.5 Ų132.568%0.6880%0.802SS**  trans51.3115140.600000120.8
116S36.8Very low41.2Very low130 Ų130135 Ų13591%0.90981%0.805SS**  168.3126.8106.5-70.20000111.4
117S42.9Very low41.4Very low117 Ų117129.6 Ų129.682%0.81879%0.794SS**  trans-68.7161.9163.3-98.20000110.6
118P46.6Very low41.6Very low121 Ų121126.2 Ų126.279%0.78680%0.798SS**  -151.9166.757.137.4-14.3000119.6
119A35.9Very low41.6Very low95 Ų95123 Ų12379%0.78580%0.801SS**  trans44.3121.7145.600000120.7
120A38.9Very low42Very low81 Ų81120.6 Ų120.667%0.66980%0.8SS**  158.8140.48900000113.1
121Q46.1Very low42Very low198 Ų198120.7 Ų120.793%0.92581%0.806SS**  trans87.7125.2146.9-37.9-146.66.500121.1
122G38.3Very low42.2Very low73 Ų73120.5 Ų120.575%0.75380%0.804SS**  trans121.467.813700000118.1
123F41.2Very low42.4Very low211 Ų211118.9 Ų118.993%0.92581%0.811SS**PPolyproline II helixtrans-92.9127.6157.2-83.8-92.4000109.8
124P49.4Very low42.3Very low122 Ų122117.7 Ų117.779%0.79282%0.818SS**PPolyproline II helixtrans-93.2119.4157.8-221.1000110.4
125R53.5Low42.6Very low228 Ų228116.4 Ų116.486%0.8682%0.821SS**PPolyproline II helixtrans-88.6154.3149.1-76.9175.672.6174.32.2108
126P50.9Low42.8Very low122 Ų122116.7 Ų116.779%0.79282%0.824SS**  -132.3128.7118.322.9-5.7000109.9
127A42.7Very low43.6Very low84 Ų84116.3 Ų116.369%0.69482%0.821SS**  74.789.167.500000111.4
128G42.8Very low44.4Very low90 Ų90116.7 Ų116.793%0.92882%0.821SS**  trans-73.1137.116100000109.8
129G40.8Very low44.4Very low81 Ų81119.1 Ų119.184%0.83583%0.827SS**  trans-135.9117.2169.400000107.5
130G42.3Very low45.3Very low67 Ų67120.5 Ų120.569%0.69183%0.831SS**  trans-106.2141.5162.900000108.1
131D38.4Very low45.8Very low180 Ų180125.7 Ų125.796%0.96386%0.862SS**  trans-177.9137.3147.4-90.5-48.3000109.5
132G39Very low45.8Very low73 Ų73122.1 Ų122.175%0.75386%0.859SS**  trans117.18514600000120
133A42.3Very low46.2Very low112 Ų112124.7 Ų124.793%0.92687%0.865SS**  trans47.9124.4132.300000122.5
134G43.3Very low46.5Very low81 Ų81119.9 Ų119.984%0.83586%0.861SS**  trans-161.6100.915900000111.4
135A45.5Very low46.3Very low112 Ų112119.8 Ų119.893%0.92687%0.865SS**  trans-74.7151.1178.400000112.5
136G41.6Very low45.9Very low72 Ų72113 Ų11374%0.74287%0.866SS**  trans157.595.3160.600000115
137S53.3Low45.5Very low122 Ų122112.4 Ų112.485%0.85387%0.871SS**  trans-162.7115.5152.2-75.90000109.1
138P59.6Low45.7Very low125 Ų125114.4 Ų114.481%0.81288%0.883SS**  trans-96.7134.6158.632.1-25.1000110.6
139L47.4Very low46Very low172 Ų172116.3 Ų116.390%0.90188%0.88SS**  trans-62.4140.6159.3-70.1130.3000109.1
140S53.9Low46.4Very low124 Ų124119.3 Ų119.387%0.86788%0.884SS**  trans-125.9138.9156.6-95.10000109.6
141S50.2Low46.8Very low191 Ų191124 Ų124100%1.33690%0.901SS**  trans-63.10-178.1-176.20000114

Retrieved 141 of 141 residues in 27.8 ms (Link to these results)