A0A096MRA9_PAPAN Loading...

Cysteine and glycine rich protein 3

AlphaFold DB (A0A2K5UI05), UniProt , Accession A0A096MRA9, Species PAPAN (Papio anubis, Olive baboon), Gene CSRP3, Length 194 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
1M49.9Very low69.3Low231 Ų231109.6 Ų109.6100%1.13866%0.657SS**  0118.70-70.4153.6157.700107.4N3M1-N3 PolarHBondContact O-N 3.37Å
2P55Low70.7Confident126 Ų126104.1 Ų104.182%0.81863%0.632SS**  trans-67.4126.3-179.4-11.826.6000109.6W4P2-W4 PolarHBondContact O-N 3.19Å
3N51.9Low72Confident164 Ų16499.3 Ų99.388%0.87761%0.605SS**  trans-74.6102.1-179.4-163.1-6.3000108.6M1 G5M1-N3 PolarHBondContact O-N 3.37Å; N3-G5 PolarHBondContact O-N 2.9Å
4W57.4Low73Confident252 Ų252103.6 Ų103.696%0.95562%0.615SS**  trans-70.8114.4179-104.7-51.1000110.6P2P2-W4 PolarHBondContact O-N 3.19Å
5G55.5Low74.1Confident67 Ų67106.3 Ų106.369%0.69162%0.616SS**  trans76.892.3141.200000116.3N3 G7N3-G5 PolarHBondContact O-N 2.9Å; G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 3.25Å
6G67.8Low75.1Confident91 Ų91104.1 Ų104.194%0.93861%0.605SS**  trans-6688159.600000110.5
7G76.2Confident75.9Confident35 Ų3598.1 Ų98.136%0.36157%0.57SS.*PPolyproline II helixtrans-67.6149.7171.200000111.5G5G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 3.25Å
8A85.3Confident76.6Confident45 Ų45101.9 Ų101.937%0.37258%0.575SS.*PPolyproline II helixtrans-60.1140.7176.800000110.6V17 S29A8-V17 PolarHBondContact O-N 3.11Å; A8-S29 WeakPolarHBondContact CB-OG 3.21Å
9K89.8Confident76.9Confident155 Ų155104.9 Ų104.967%0.67458%0.583SS**BIsolated β-bridgetrans-85.3142.3178.9-64.6-173.2179.8-176.70110.8G11K9-G11 PolarHBondContact O-N 2.88Å
10C89.2Confident77.3Confident2 Ų2103.8 Ų103.81%0.01459%0.587CS.*BIsolated β-bridgetrans-67.8125.4175.5-179.60000110.5A12 C13 E14 K15 V17 S29 H31C10-A12 PolarHBondContact O-N 2.9Å; C10-A12 VanDerWaalsContact O-N 3.11Å; C10-A12 PolarHBondContact SG-N 3.13Å; C10-C13 VanDerWaalsContact CB-SG 3.55Å; C10-C13 PolarHBondContact SG-N 2.86Å; C10-C13 VanDerWaalsContact SG-N 3.44Å; C10-C13 VanDerWaalsContact SG-SG 3.65Å; C10-E14 WeakPolarHBondContact O-CA 3.16Å; C10-E14 PolarHBondContact O-N 3.25Å; C10-K15 WeakPolarHBondContact CB-O 3.47Å; C10-K15 PolarHBondContact N-O 3.41Å; C10-V17 HydrophobicContact CB-CG2 3.55Å; C10-S29 CarbonylContact C-O 3.55Å; C10-S29 WeakPolarHBondContact CA-O 3.36Å; C10-H31 VanDerWaalsContact CB-CE1 3.47Å; C10-H31 WeakPolarHBondContact CB-CE1 3.37Å; C10-H31 WeakPolarHBondContact CB-ND1 3.5Å; C10-H31 PolarHBondContact SG-ND1 2.95Å; C10-H31 VanDerWaalsContact SG-ND1 3.42Å
11G84.3Confident77.5Confident38 Ų38103.7 Ų103.739%0.39258%0.582SS.*THydrogen-bonded Turntrans-66-9.817600000115.2K9 S29K9-G11 PolarHBondContact O-N 2.88Å; G11-S29 PolarHBondContact N-O 3.18Å
12A85.5Confident79.4Confident43 Ų4394.6 Ų94.636%0.35554%0.537SS..THydrogen-bonded Turntrans-110.9-33.8-178.300000114C10 F30 C34C10-A12 PolarHBondContact O-N 2.9Å; C10-A12 VanDerWaalsContact O-N 3.11Å; C10-A12 PolarHBondContact SG-N 3.13Å; A12-F30 HydrophobicContact CB-CD1 3.98Å; A12-F30 HydrophobicContact CB-CE1 4.2Å; A12-C34 HydrophobicContact CB-CB 3.99Å
13C88.1Confident80.9Confident42 Ų4290.5 Ų90.528%0.28451%0.508SS..THydrogen-bonded Turntrans-122.30.7-179.7760000114.3C10 K15 H31C10-C13 VanDerWaalsContact CB-SG 3.55Å; C10-C13 PolarHBondContact SG-N 2.86Å; C10-C13 VanDerWaalsContact SG-N 3.44Å; C10-C13 VanDerWaalsContact SG-SG 3.65Å; C13-K15 PolarHBondContact O-N 2.81Å; C13-H31 PolarHBondContact SG-CE1 2.81Å; C13-H31 PolarHBondContact SG-ND1 3.11Å
14E86.2Confident82.7Confident160 Ų16089.2 Ų89.275%0.74850%0.496SS*.  trans60.7-2.4178.5-58-178.317000116.3C10C10-E14 WeakPolarHBondContact O-CA 3.16Å; C10-E14 PolarHBondContact O-N 3.25Å
15K88.9Confident84Confident144 Ų14478 Ų7863%0.62646%0.456SS*.SBendtrans-72.8154.1174.3-60.8172.2-171.6177.80110.8C10 C13 V17C10-K15 WeakPolarHBondContact CB-O 3.47Å; C10-K15 PolarHBondContact N-O 3.41Å; C13-K15 PolarHBondContact O-N 2.81Å; K15-V17 PolarHBondContact O-N 2.89Å
16T89.9Confident85.2Confident71 Ų7180 Ų8044%0.43645%0.451SS..BIsolated β-bridgetrans-61.1132.617449.20000110.4H31T16-H31 PolarHBondContact O-NE2 3.38Å; T16-H31 VanDerWaalsContact O-NE2 3.13Å
17V89.7Confident86Confident2 Ų279.9 Ų79.91%0.01245%0.45CS..PPolyproline II helixtrans-102.3125.8174.2-166.90000107.2A8 C10 K15 E22A8-V17 PolarHBondContact O-N 3.11Å; C10-V17 HydrophobicContact CB-CG2 3.55Å; K15-V17 PolarHBondContact O-N 2.89Å; V17-E22 HydrophobicContact CB-CB 4.43Å; V17-E22 VanDerWaalsContact CG1-CA 3.44Å; V17-E22 HydrophobicContact CG1-CB 3.51Å
18Y87.9Confident86.4Confident167 Ų16783.3 Ų83.366%0.65545%0.452SS*.PPolyproline II helixtrans-83.2150.1172.6-64.2-77.2000109.8A20 E21 E22Y18-A20 PolarHBondContact O-N 3.35Å; Y18-E21 PolarHBondContact O-N 2.81Å; Y18-E22 PolarHBondContact O-N 3.43Å; Y18-E22 VanDerWaalsContact O-N 3.11Å
19H82.3Confident86.7Confident159 Ų15981.8 Ų81.874%0.73644%0.439SS*.THydrogen-bonded Turntrans-54.9-26.8-176.7-138.334.8000113.8E22H19-E22 IonicContact CE1-OE1 3.08Å; H19-E22 PolarHBondContact CE1-OE1 3.44Å; H19-E22 IonicContact CE1-OE2 3.71Å; H19-E22 IonicContact CG-OE2 3.82Å; H19-E22 IonicContact ND1-OE1 2.95Å; H19-E22 PolarHBondContact ND1-OE1 3.32Å; H19-E22 IonicContact ND1-OE2 2.81Å; H19-E22 PolarHBondContact ND1-OE2 3.42Å
20A84.3Confident86.7Confident81 Ų8174.7 Ų74.767%0.66941%0.408SS*.THydrogen-bonded Turntrans-72.7-24.8176.900000114.5Y18 K32Y18-A20 PolarHBondContact O-N 3.35Å; A20-K32 PolarHBondContact O-NZ 2.92Å; A20-K32 VanDerWaalsContact O-NZ 3.14Å
21E83.4Confident86.7Confident102 Ų10275.4 Ų75.448%0.47741%0.411SS..THydrogen-bonded Turntrans-115.54.6-176.5-64.5-163.6151.100113.2Y18 K32Y18-E21 PolarHBondContact O-N 2.81Å; E21-K32 PolarHBondContact O-N 3.08Å
22E88Confident86.9Confident40 Ų4079.9 Ų79.919%0.18742%0.42CS..EExtended strand (participates in β ladder)trans-79.2135.4-177.279.9179.3-144.100112.7V17 Y18 H19 Q24 F30V17-E22 HydrophobicContact CB-CB 4.43Å; V17-E22 VanDerWaalsContact CG1-CA 3.44Å; V17-E22 HydrophobicContact CG1-CB 3.51Å; Y18-E22 PolarHBondContact O-N 3.43Å; Y18-E22 VanDerWaalsContact O-N 3.11Å; H19-E22 IonicContact CE1-OE1 3.08Å; H19-E22 PolarHBondContact CE1-OE1 3.44Å; H19-E22 IonicContact CE1-OE2 3.71Å; H19-E22 IonicContact CG-OE2 3.82Å; H19-E22 IonicContact ND1-OE1 2.95Å; H19-E22 PolarHBondContact ND1-OE1 3.32Å; H19-E22 IonicContact ND1-OE2 2.81Å; H19-E22 PolarHBondContact ND1-OE2 3.42Å; E22-Q24 PolarHBondContact OE1-NE2 3.41Å; E22-F30 CarbonylContact C-O 3.52Å
23I88.2Confident87.1Confident41 Ų4183.6 Ų83.621%0.2144%0.438CS..EExtended strand (participates in β ladder)trans-115.3117.7163.9-60.4-177.2000106.1S29 F30 K32 F35I23-S29 CarbonylContact O-C 3.59Å; I23-S29 WeakPolarHBondContact O-CA 3.38Å; I23-F30 PolarHBondContact N-O 3.08Å; I23-F30 PolarHBondContact O-N 3.23Å; I23-K32 HydrophobicContact CD1-CB 4.27Å; I23-K32 HydrophobicContact CD1-CG 3.93Å; I23-K32 HydrophobicContact CG1-CG 4.01Å; I23-F35 HydrophobicContact CB-CD2 4.41Å; I23-F35 HydrophobicContact CD1-CB 3.8Å; I23-F35 HydrophobicContact CD1-CD1 3.94Å; I23-F35 HydrophobicContact CD1-CG 3.86Å; I23-F35 HydrophobicContact CG2-CD1 4.3Å; I23-F35 HydrophobicContact CG2-CD2 3.87Å; I23-F35 HydrophobicContact CG2-CE1 4.28Å; I23-F35 HydrophobicContact CG2-CE2 3.82Å; I23-F35 HydrophobicContact CG2-CG 4.12Å; I23-F35 HydrophobicContact CG2-CZ 4.03Å
24Q87.9Confident87.1Confident136 Ų13682.5 Ų82.564%0.63643%0.431SS*.EExtended strand (participates in β ladder)trans-89.9123.6176.2-63-174.9-1000109.7E22 R28E22-Q24 PolarHBondContact OE1-NE2 3.41Å; Q24-R28 CarbonylContact C-O 3.51Å; Q24-R28 WeakPolarHBondContact CA-O 3.21Å
25C84.8Confident87.3Confident16 Ų1675.2 Ų75.211%0.10840%0.397CS..EExtended strand (participates in β ladder)trans-142.1124.7175.9-171.90000109.5G27 R28 F30 F35 I56C25-G27 VanDerWaalsContact C-N 3.29Å; C25-G27 PolarHBondContact O-N 2.94Å; C25-R28 PolarHBondContact N-O 3.21Å; C25-R28 PolarHBondContact O-N 3.24Å; C25-F30 HydrophobicContact CB-CD2 4.24Å; C25-F30 HydrophobicContact CB-CE2 4.11Å; C25-F35 HydrophobicContact CB-CE2 3.92Å; C25-I56 HydrophobicContact CB-CG2 4.45Å
26N82.5Confident87.3Confident109 Ų10970 Ų7058%0.58338%0.375SS*.THydrogen-bonded Turntrans5343177.3-161.540000113.7R28 A51N26-R28 PolarHBondContact O-N 3.09Å; N26-A51 HydrophobicContact CB-CB 3.54Å
27G83.3Confident87.3Confident89 Ų8966.6 Ų66.692%0.91835%0.354SS*.THydrogen-bonded Turntrans72.57.1-179.400000115.2C25C25-G27 VanDerWaalsContact C-N 3.29Å; C25-G27 PolarHBondContact O-N 2.94Å
28R85.9Confident87.1Confident108 Ų10870.2 Ų70.241%0.40837%0.371SS..EExtended strand (participates in β ladder)trans-114.5151.9174.6-67.7-175.3171.4-168.9-4.8111.2Q24 C25 N26 F30 S54Q24-R28 CarbonylContact C-O 3.51Å; Q24-R28 WeakPolarHBondContact CA-O 3.21Å; C25-R28 PolarHBondContact N-O 3.21Å; C25-R28 PolarHBondContact O-N 3.24Å; N26-R28 PolarHBondContact O-N 3.09Å; R28-F30 HydrophobicContact CB-CE2 3.72Å; R28-F30 HydrophobicContact CB-CZ 4.06Å; R28-S54 VanDerWaalsContact NH1-CB 3.26Å; R28-S54 PolarHBondContact NH1-O 3.31Å; R28-S54 PolarHBondContact NH1-OG 3.14Å; R28-S54 VanDerWaalsContact NH1-OG 3.09Å; R28-S54 PolarHBondContact NH2-OG 2.99Å
29S90.1Very high87Confident13 Ų1363.4 Ų63.49%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-98.9142.6175.1-60.50000110.3A8 C10 G11 I23A8-S29 WeakPolarHBondContact CB-OG 3.21Å; C10-S29 CarbonylContact C-O 3.55Å; C10-S29 WeakPolarHBondContact CA-O 3.36Å; G11-S29 PolarHBondContact N-O 3.18Å; I23-S29 CarbonylContact O-C 3.59Å; I23-S29 WeakPolarHBondContact O-CA 3.38Å
30F90.3Very high87.2Confident6 Ų659 Ų593%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-134.7148.6176.1-62-90.5000109.8A12 E22 I23 C25 R28 F35 I56A12-F30 HydrophobicContact CB-CD1 3.98Å; A12-F30 HydrophobicContact CB-CE1 4.2Å; E22-F30 CarbonylContact C-O 3.52Å; I23-F30 PolarHBondContact N-O 3.08Å; I23-F30 PolarHBondContact O-N 3.23Å; C25-F30 HydrophobicContact CB-CD2 4.24Å; C25-F30 HydrophobicContact CB-CE2 4.11Å; R28-F30 HydrophobicContact CB-CE2 3.72Å; R28-F30 HydrophobicContact CB-CZ 4.06Å; F30-F35 HydrophobicContact CB-CD2 4.08Å; F30-F35 HydrophobicContact CD2-CD2 4.33Å; F30-F35 HydrophobicContact CG-CD2 4.23Å; F30-I56 HydrophobicContact CD1-CD1 4.31Å; F30-I56 HydrophobicContact CE1-CD1 4.24Å; F30-I56 HydrophobicContact CE2-CG2 4.02Å; F30-I56 HydrophobicContact CZ-CD1 4.49Å; F30-I56 HydrophobicContact CZ-CG2 3.9Å
31H90.3Very high87.3Confident17 Ų1764 Ų648%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-69.3151.2165.4-57.292.3000110.1C10 C13 T16 T33 C34 F35C10-H31 VanDerWaalsContact CB-CE1 3.47Å; C10-H31 WeakPolarHBondContact CB-CE1 3.37Å; C10-H31 WeakPolarHBondContact CB-ND1 3.5Å; C10-H31 PolarHBondContact SG-ND1 2.95Å; C10-H31 VanDerWaalsContact SG-ND1 3.42Å; C13-H31 PolarHBondContact SG-CE1 2.81Å; C13-H31 PolarHBondContact SG-ND1 3.11Å; T16-H31 PolarHBondContact O-NE2 3.38Å; T16-H31 VanDerWaalsContact O-NE2 3.13Å; H31-T33 PolarHBondContact O-N 3.04Å; H31-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 PolarHBondContact O-N 3.03Å; H31-F35 PolarHBondContact O-N 2.79Å
32K87.6Confident87.5Confident131 Ų13164.9 Ų64.957%0.5734%0.34SS*.G310 helixtrans-50.4-39.2169.6-65.9176.6-179172.70112.9A20 E21 I23A20-K32 PolarHBondContact O-NZ 2.92Å; A20-K32 VanDerWaalsContact O-NZ 3.14Å; E21-K32 PolarHBondContact O-N 3.08Å; I23-K32 HydrophobicContact CD1-CB 4.27Å; I23-K32 HydrophobicContact CD1-CG 3.93Å; I23-K32 HydrophobicContact CG1-CG 4.01Å
33T88.8Confident87.5Confident121 Ų12166.2 Ų66.274%0.74236%0.357SS*.G310 helixtrans-77.3-25.1177.954.90000113.5H31H31-T33 PolarHBondContact O-N 3.04Å
34C88.5Confident87.4Confident20 Ų2064.7 Ų64.714%0.13535%0.35CS..G310 helixtrans-92.6-0.3-179.7-62.80000113A12 H31 H36A12-C34 HydrophobicContact CB-CB 3.99Å; H31-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 PolarHBondContact O-N 3.03Å; C34-H36 VanDerWaalsContact C-N 3.32Å; C34-H36 PolarHBondContact O-CE1 2.93Å; C34-H36 PolarHBondContact O-N 3.36Å; C34-H36 PolarHBondContact O-ND1 2.76Å; C34-H36 VanDerWaalsContact O-ND1 3.08Å
35F90.1Very high87.1Confident6 Ų662.7 Ų62.73%0.02634%0.344CS..  trans-85.174.1-179.3-163.7-114.6000111.4I23 C25 F30 H31 L44 V49 I56I23-F35 HydrophobicContact CB-CD2 4.41Å; I23-F35 HydrophobicContact CD1-CB 3.8Å; I23-F35 HydrophobicContact CD1-CD1 3.94Å; I23-F35 HydrophobicContact CD1-CG 3.86Å; I23-F35 HydrophobicContact CG2-CD1 4.3Å; I23-F35 HydrophobicContact CG2-CD2 3.87Å; I23-F35 HydrophobicContact CG2-CE1 4.28Å; I23-F35 HydrophobicContact CG2-CE2 3.82Å; I23-F35 HydrophobicContact CG2-CG 4.12Å; I23-F35 HydrophobicContact CG2-CZ 4.03Å; C25-F35 HydrophobicContact CB-CE2 3.92Å; F30-F35 HydrophobicContact CB-CD2 4.08Å; F30-F35 HydrophobicContact CD2-CD2 4.33Å; F30-F35 HydrophobicContact CG-CD2 4.23Å; H31-F35 PolarHBondContact O-N 2.79Å; F35-L44 HydrophobicContact CD1-CB 3.71Å; F35-L44 WeakPolarHBondContact CD1-O 3.36Å; F35-L44 HydrophobicContact CE1-CB 3.49Å; F35-L44 VanDerWaalsContact CE1-CB 3.49Å; F35-L44 HydrophobicContact CG-CB 4.5Å; F35-L44 HydrophobicContact CZ-CB 4.18Å; F35-L44 PolarHBondContact O-N 3.12Å; F35-V49 HydrophobicContact CE1-CB 4.32Å; F35-V49 HydrophobicContact CE2-CG2 4.24Å; F35-V49 HydrophobicContact CZ-CB 3.72Å; F35-V49 HydrophobicContact CZ-CG1 3.86Å; F35-V49 HydrophobicContact CZ-CG2 3.8Å; F35-I56 HydrophobicContact CD2-CD1 3.56Å; F35-I56 HydrophobicContact CE2-CD1 3.83Å; F35-I56 HydrophobicContact CG-CD1 4.31Å
36H90.3Very high86.6Confident35 Ų3566.9 Ų66.916%0.16237%0.373CS..BIsolated β-bridgetrans-129151.2-179.154.6-93.1000111.7C34 M38 K42 I56C34-H36 VanDerWaalsContact C-N 3.32Å; C34-H36 PolarHBondContact O-CE1 2.93Å; C34-H36 PolarHBondContact O-N 3.36Å; C34-H36 PolarHBondContact O-ND1 2.76Å; C34-H36 VanDerWaalsContact O-ND1 3.08Å; H36-M38 VanDerWaalsContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact NE2-CE 3.42Å; H36-M38 WeakPolarHBondContact O-CE 3.46Å; H36-M38 PolarHBondContact O-N 2.82Å; H36-K42 WeakPolarHBondContact CA-O 3.37Å; H36-I56 WeakPolarHBondContact O-CD1 3.37Å; H36-I56 WeakPolarHBondContact O-CG1 3.04Å
37C89.3Confident86.2Confident0 Ų066.7 Ų66.70%038%0.376CS..  trans-62.7130.6176.7179.60000111.1A39 C40 R41 K42 L44 C58 C61C37-A39 VanDerWaalsContact C-N 3.27Å; C37-A39 PolarHBondContact O-N 3.43Å; C37-A39 PolarHBondContact SG-N 3.27Å; C37-A39 VanDerWaalsContact SG-N 3.42Å; C37-C40 VanDerWaalsContact CB-SG 3.53Å; C37-R41 WeakPolarHBondContact O-CA 3.48Å; C37-R41 PolarHBondContact O-N 2.97Å; C37-K42 PolarHBondContact N-O 2.87Å; C37-L44 HydrophobicContact CB-CD1 4.16Å; C37-L44 HydrophobicContact CB-CD2 4.11Å; C37-L44 HydrophobicContact CB-CG 4.2Å; C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 2.87Å; C37-C61 PolarHBondContact SG-SG 3Å
38M85.5Confident85.9Confident77 Ų7764.9 Ų64.938%0.37935%0.347SS..THydrogen-bonded Turntrans-65.9-28.8177.2-69.7-64.8108.400113.1H36 E55 I56 Y57H36-M38 VanDerWaalsContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact NE2-CE 3.42Å; H36-M38 WeakPolarHBondContact O-CE 3.46Å; H36-M38 PolarHBondContact O-N 2.82Å; M38-E55 HydrophobicContact CG-CB 4.34Å; M38-I56 PolarHBondContact N-O 3.25Å; M38-Y57 HydrophobicContact CB-CE1 4.11Å
39A85.8Confident85.9Confident24 Ų2461.1 Ų61.120%0.19834%0.336CS..THydrogen-bonded Turntrans-82-45.3-179.500000113.8C37 Y57 C61C37-A39 VanDerWaalsContact C-N 3.27Å; C37-A39 PolarHBondContact O-N 3.43Å; C37-A39 PolarHBondContact SG-N 3.27Å; C37-A39 VanDerWaalsContact SG-N 3.42Å; A39-Y57 HydrophobicContact CB-CD1 4.02Å; A39-Y57 HydrophobicContact CB-CE1 4.03Å; A39-C61 HydrophobicContact CB-CB 4.12Å
40C86.9Confident85.8Confident66 Ų6661.4 Ų61.445%0.44634%0.339SS..THydrogen-bonded Turntrans-117.10.2-171.969.20000114.3C37 K42 C61C37-C40 VanDerWaalsContact CB-SG 3.53Å; C40-K42 PolarHBondContact O-N 3.42Å; C40-K42 VanDerWaalsContact SG-CB 3.52Å; C40-C61 PolarHBondContact SG-SG 3.02Å
41R86.9Confident85.6Confident187 Ų18762.7 Ų62.771%0.70635%0.351SS*.  trans57.17.6-178.2-61.3-73.6-70.3-118.8-6.7115.3C37 A43C37-R41 WeakPolarHBondContact O-CA 3.48Å; C37-R41 PolarHBondContact O-N 2.97Å; R41-A43 PolarHBondContact O-N 3Å
42K86.2Confident85.2Confident120 Ų12063.8 Ų63.852%0.52236%0.356SS..PPolyproline II helixtrans-63132.1173.2-172.9179.1177.9-72.80109.4H36 C37 C40 L44H36-K42 WeakPolarHBondContact CA-O 3.37Å; C37-K42 PolarHBondContact N-O 2.87Å; C40-K42 PolarHBondContact O-N 3.42Å; C40-K42 VanDerWaalsContact SG-CB 3.52Å; K42-L44 PolarHBondContact O-N 3.1Å
43A87.9Confident84.5Confident68 Ų6865.2 Ų65.256%0.56237%0.365SS*.BIsolated β-bridgetrans-55.6129.2169.200000109.4R41R41-A43 PolarHBondContact O-N 3Å
44L86.8Confident83.9Confident9 Ų961.8 Ų61.85%0.04735%0.346CS..PPolyproline II helixtrans-96.1154.5178.6-64.6178.6000109.2F35 C37 K42 V49 I56 C58F35-L44 HydrophobicContact CD1-CB 3.71Å; F35-L44 WeakPolarHBondContact CD1-O 3.36Å; F35-L44 HydrophobicContact CE1-CB 3.49Å; F35-L44 VanDerWaalsContact CE1-CB 3.49Å; F35-L44 HydrophobicContact CG-CB 4.5Å; F35-L44 HydrophobicContact CZ-CB 4.18Å; F35-L44 PolarHBondContact O-N 3.12Å; C37-L44 HydrophobicContact CB-CD1 4.16Å; C37-L44 HydrophobicContact CB-CD2 4.11Å; C37-L44 HydrophobicContact CB-CG 4.2Å; K42-L44 PolarHBondContact O-N 3.1Å; L44-V49 HydrophobicContact CB-CB 4.5Å; L44-V49 HydrophobicContact CD1-CB 4.21Å; L44-V49 HydrophobicContact CD1-CG2 3.89Å; L44-I56 HydrophobicContact CD1-CB 4.29Å; L44-I56 HydrophobicContact CD1-CD1 4.31Å; L44-I56 HydrophobicContact CD1-CG1 4.39Å; L44-C58 HydrophobicContact CD2-CB 3.59Å
45D81.1Confident83.6Confident95 Ų9564.9 Ų64.951%0.50836%0.358SS..  trans-112.3160.1170.8-53-66.6000108.1T47 T48 V49D45-T47 PolarHBondContact O-N 2.86Å; D45-T48 PolarHBondContact N-OG1 2.54Å; D45-T48 PolarHBondContact O-N 3.1Å; D45-V49 PolarHBondContact O-N 2.84Å
46S74.4Confident83.5Confident104 Ų10464.8 Ų64.873%0.72736%0.358SS*.THydrogen-bonded Turntrans-53.5-25.8-179.952.10000113.4
47T74.8Confident83.5Confident105 Ų10563.8 Ų63.864%0.64435%0.353SS*.THydrogen-bonded Turntrans-91.8-18.5-178.4-40.20000114.4D45 K59D45-T47 PolarHBondContact O-N 2.86Å; T47-K59 WeakPolarHBondContact O-CE 3.24Å; T47-K59 PolarHBondContact O-NZ 3.39Å
48T77.1Confident83.5Confident51 Ų5164.5 Ų64.531%0.31336%0.358SS..THydrogen-bonded Turntrans-113.24-169.362.80000114.4D45 K59D45-T48 PolarHBondContact N-OG1 2.54Å; D45-T48 PolarHBondContact O-N 3.1Å; T48-K59 PolarHBondContact O-N 3.05Å
49V86.4Confident83.5Confident29 Ų2966.5 Ų66.518%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-83.2143.9176.163.80000112F35 L44 D45 I56F35-V49 HydrophobicContact CE1-CB 4.32Å; F35-V49 HydrophobicContact CE2-CG2 4.24Å; F35-V49 HydrophobicContact CZ-CB 3.72Å; F35-V49 HydrophobicContact CZ-CG1 3.86Å; F35-V49 HydrophobicContact CZ-CG2 3.8Å; L44-V49 HydrophobicContact CB-CB 4.5Å; L44-V49 HydrophobicContact CD1-CB 4.21Å; L44-V49 HydrophobicContact CD1-CG2 3.89Å; D45-V49 PolarHBondContact O-N 2.84Å; V49-I56 HydrophobicContact CG2-CB 4Å; V49-I56 HydrophobicContact CG2-CG2 4.12Å
50A87.9Confident83.5Confident19 Ų1969.1 Ų69.116%0.15738%0.378CS..EExtended strand (participates in β ladder)trans-128.5133.6163.600000107.7Y57 Y62A50-Y57 PolarHBondContact N-O 2.93Å; A50-Y57 WeakPolarHBondContact O-CA 3.12Å; A50-Y57 PolarHBondContact O-N 3.34Å; A50-Y62 HydrophobicContact CB-CD1 4.1Å; A50-Y62 HydrophobicContact CB-CD2 3.69Å; A50-Y62 HydrophobicContact CB-CE2 4.37Å; A50-Y62 HydrophobicContact CB-CG 3.52Å
51A84.9Confident83.5Confident33 Ų3366.4 Ų66.427%0.27336%0.359SS..EExtended strand (participates in β ladder)trans-103.8137.6179.900000110.4N26 E55N26-A51 HydrophobicContact CB-CB 3.54Å; A51-E55 WeakPolarHBondContact CA-O 3.12Å
52H81.9Confident83.5Confident40 Ų4061.3 Ų61.319%0.18534%0.341CS..EExtended strand (participates in β ladder)trans-134.8126.7173.7-167.2-89.1000109.4S54 E55 Y57 Y62 Y66H52-S54 PolarHBondContact O-N 3.31Å; H52-E55 PolarHBondContact N-O 2.93Å; H52-E55 PolarHBondContact O-N 3.45Å; H52-Y57 HydrophobicContact CB-CD2 4.15Å; H52-Y57 HydrophobicContact CB-CE2 4.14Å; H52-Y62 HydrophobicContact CB-CD2 4.25Å; H52-Y62 HydrophobicContact CB-CE2 3.86Å; H52-Y62 AromaticContact CD2-CE2 3.94Å; H52-Y66 HydrophobicContact CB-CD2 4.24Å; H52-Y66 HydrophobicContact CB-CE2 3.79Å; H52-Y66 AromaticContact CD2-CD1 3.71Å; H52-Y66 AromaticContact CD2-CE1 3.82Å; H52-Y66 AromaticContact CD2-CG 3.85Å; H52-Y66 AromaticContact CE1-CD1 3.71Å; H52-Y66 AromaticContact CE1-CE1 3.24Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.28Å; H52-Y66 AromaticContact CE1-CZ 3.75Å; H52-Y66 AromaticContact CG-CE1 3.71Å; H52-Y66 AromaticContact CG-CE2 3.71Å; H52-Y66 AromaticContact CG-CZ 3.51Å; H52-Y66 AromaticContact ND1-CE1 3.35Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.35Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.35Å; H52-Y66 AromaticContact ND1-CZ 3.32Å; H52-Y66 VanDerWaalsContact ND1-CZ 3.32Å; H52-Y66 PolarHBondContact ND1-OH 3.16Å; H52-Y66 AromaticContact NE2-CD1 3.48Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.27Å; H52-Y66 AromaticContact NE2-CE1 3.55Å
53E73.8Confident83.4Confident161 Ų16156.3 Ų56.375%0.75232%0.323SS*.THydrogen-bonded Turntrans41.340.1171.5-68.3177.1163.100114.6
54S74.6Confident83.1Confident49 Ų4958.4 Ų58.434%0.34332%0.316SS..THydrogen-bonded Turntrans86.86.7175.496.50000118.1R28 H52R28-S54 VanDerWaalsContact NH1-CB 3.26Å; R28-S54 PolarHBondContact NH1-O 3.31Å; R28-S54 PolarHBondContact NH1-OG 3.14Å; R28-S54 VanDerWaalsContact NH1-OG 3.09Å; R28-S54 PolarHBondContact NH2-OG 2.99Å; H52-S54 PolarHBondContact O-N 3.31Å
55E82.9Confident82.7Confident85 Ų8563.2 Ų63.240%0.39733%0.334SS..EExtended strand (participates in β ladder)trans-111.7154.8171.7-64.5175.9161.800111.5M38 A51 H52 Y57M38-E55 HydrophobicContact CG-CB 4.34Å; A51-E55 WeakPolarHBondContact CA-O 3.12Å; H52-E55 PolarHBondContact N-O 2.93Å; H52-E55 PolarHBondContact O-N 3.45Å; E55-Y57 HydrophobicContact CB-CD2 4.42Å; E55-Y57 HydrophobicContact CB-CE2 3.67Å; E55-Y57 PolarHBondContact OE2-OH 2.9Å
56I88.4Confident82.8Confident4 Ų462.5 Ų62.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-108.1132.9179.159.4170.9000111.7C25 F30 F35 H36 M38 L44 V49C25-I56 HydrophobicContact CB-CG2 4.45Å; F30-I56 HydrophobicContact CD1-CD1 4.31Å; F30-I56 HydrophobicContact CE1-CD1 4.24Å; F30-I56 HydrophobicContact CE2-CG2 4.02Å; F30-I56 HydrophobicContact CZ-CD1 4.49Å; F30-I56 HydrophobicContact CZ-CG2 3.9Å; F35-I56 HydrophobicContact CD2-CD1 3.56Å; F35-I56 HydrophobicContact CE2-CD1 3.83Å; F35-I56 HydrophobicContact CG-CD1 4.31Å; H36-I56 WeakPolarHBondContact O-CD1 3.37Å; H36-I56 WeakPolarHBondContact O-CG1 3.04Å; M38-I56 PolarHBondContact N-O 3.25Å; L44-I56 HydrophobicContact CD1-CB 4.29Å; L44-I56 HydrophobicContact CD1-CD1 4.31Å; L44-I56 HydrophobicContact CD1-CG1 4.39Å; V49-I56 HydrophobicContact CG2-CB 4Å; V49-I56 HydrophobicContact CG2-CG2 4.12Å
57Y89.7Confident83Confident13 Ų1358.9 Ų58.95%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-129.3155-176.7-68.5-79000111.4M38 A39 A50 H52 E55 C61 Y66M38-Y57 HydrophobicContact CB-CE1 4.11Å; A39-Y57 HydrophobicContact CB-CD1 4.02Å; A39-Y57 HydrophobicContact CB-CE1 4.03Å; A50-Y57 PolarHBondContact N-O 2.93Å; A50-Y57 WeakPolarHBondContact O-CA 3.12Å; A50-Y57 PolarHBondContact O-N 3.34Å; H52-Y57 HydrophobicContact CB-CD2 4.15Å; H52-Y57 HydrophobicContact CB-CE2 4.14Å; E55-Y57 HydrophobicContact CB-CD2 4.42Å; E55-Y57 HydrophobicContact CB-CE2 3.67Å; E55-Y57 PolarHBondContact OE2-OH 2.9Å; Y57-C61 HydrophobicContact CD1-CB 4.45Å; Y57-Y66 HydrophobicContact CD2-CE2 4.16Å; Y57-Y66 AromaticContact CE2-CE2 3.9Å; Y57-Y66 HydrophobicContact CE2-CE2 3.9Å
58C89.8Confident83Confident15 Ų1559.1 Ų59.110%0.10131%0.307CS..EExtended strand (participates in β ladder)trans-73.5146.3166.989.60000109.9C37 L44 V60 C61 Y62C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 2.87Å; L44-C58 HydrophobicContact CD2-CB 3.59Å; C58-V60 PolarHBondContact O-N 2.67Å; C58-V60 VanDerWaalsContact O-N 3.1Å; C58-C61 HydrophobicContact CB-CB 4.16Å; C58-C61 WeakPolarHBondContact CB-SG 3.5Å; C58-C61 CarbonylContact O-C 3.6Å; C58-C61 WeakPolarHBondContact O-CA 3.48Å; C58-C61 WeakPolarHBondContact O-CB 3.48Å; C58-C61 PolarHBondContact O-N 2.88Å; C58-C61 WeakPolarHBondContact SG-CB 3.44Å; C58-C61 PolarHBondContact SG-N 3.35Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.82Å; C58-Y62 WeakPolarHBondContact O-CB 3.36Å; C58-Y62 PolarHBondContact O-N 2.83Å
59K86.3Confident82.5Confident120 Ų12065.3 Ų65.352%0.52233%0.33SS..Hα-helixtrans-49.5-40.1177.7-76.5-179.6-178.9177.50113.7T47 T48 G63T47-K59 WeakPolarHBondContact O-CE 3.24Å; T47-K59 PolarHBondContact O-NZ 3.39Å; T48-K59 PolarHBondContact O-N 3.05Å; K59-G63 PolarHBondContact O-N 2.8Å
60V85Confident81.5Confident79 Ų7966.3 Ų66.348%0.47935%0.346SS..Hα-helixtrans-64.6-43.3177.4-177.70000111.5C58 R64C58-V60 PolarHBondContact O-N 2.67Å; C58-V60 VanDerWaalsContact O-N 3.1Å; V60-R64 VanDerWaalsContact CG1-NH2 3.31Å; V60-R64 WeakPolarHBondContact O-CG 3.25Å; V60-R64 PolarHBondContact O-N 3.42Å
61C86.3Confident80Confident9 Ų972 Ų726%0.06137%0.372CS..Hα-helixtrans-71-44.6-178.6-48.40000110.8C37 A39 C40 Y57 C58 G63 R64 R65C37-C61 PolarHBondContact SG-SG 3Å; A39-C61 HydrophobicContact CB-CB 4.12Å; C40-C61 PolarHBondContact SG-SG 3.02Å; Y57-C61 HydrophobicContact CD1-CB 4.45Å; C58-C61 HydrophobicContact CB-CB 4.16Å; C58-C61 WeakPolarHBondContact CB-SG 3.5Å; C58-C61 CarbonylContact O-C 3.6Å; C58-C61 WeakPolarHBondContact O-CA 3.48Å; C58-C61 WeakPolarHBondContact O-CB 3.48Å; C58-C61 PolarHBondContact O-N 2.88Å; C58-C61 WeakPolarHBondContact SG-CB 3.44Å; C58-C61 PolarHBondContact SG-N 3.35Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.82Å; C61-G63 VanDerWaalsContact C-N 3.33Å; C61-R64 PolarHBondContact O-N 3.37Å; C61-R65 WeakPolarHBondContact O-CG 3.47Å; C61-R65 PolarHBondContact O-N 3.28Å
62Y88.1Confident78.6Confident80 Ų8071.9 Ų71.931%0.31437%0.374SS..Hα-helixtrans-60.4-46175.9179.9-87.7000110.7A50 H52 C58 R65 Y66A50-Y62 HydrophobicContact CB-CD1 4.1Å; A50-Y62 HydrophobicContact CB-CD2 3.69Å; A50-Y62 HydrophobicContact CB-CE2 4.37Å; A50-Y62 HydrophobicContact CB-CG 3.52Å; H52-Y62 HydrophobicContact CB-CD2 4.25Å; H52-Y62 HydrophobicContact CB-CE2 3.86Å; H52-Y62 AromaticContact CD2-CE2 3.94Å; C58-Y62 WeakPolarHBondContact O-CB 3.36Å; C58-Y62 PolarHBondContact O-N 2.83Å; Y62-R65 PolarHBondContact O-N 3.18Å; Y62-Y66 AromaticContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CE2 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CG 4.4Å; Y62-Y66 HydrophobicContact CG-CD2 4.34Å; Y62-Y66 WeakPolarHBondContact O-CB 3.43Å; Y62-Y66 PolarHBondContact O-N 3.28Å
63G84.5Confident77.4Confident14 Ų1473.1 Ų73.114%0.14438%0.377CS..Hα-helixtrans-49.8-71.5169.600000109.5K59 C61 R65 Y66 G67 Y73K59-G63 PolarHBondContact O-N 2.8Å; C61-G63 VanDerWaalsContact C-N 3.33Å; G63-R65 PolarHBondContact O-N 3.36Å; G63-Y66 PolarHBondContact O-N 3.3Å; G63-Y66 VanDerWaalsContact O-N 3.16Å; G63-G67 PolarHBondContact O-N 2.88Å; G63-G67 VanDerWaalsContact O-N 3.07Å; G63-Y73 WeakPolarHBondContact O-CE1 3.47Å; G63-Y73 PolarHBondContact O-OH 2.91Å
64R80.9Confident76.6Confident112 Ų11266.5 Ų66.542%0.42335%0.352SS..Hα-helixtrans-47.5-35.7-175.5-69.5177.1-162.3161.60.8114.9V60 C61V60-R64 VanDerWaalsContact CG1-NH2 3.31Å; V60-R64 WeakPolarHBondContact O-CG 3.25Å; V60-R64 PolarHBondContact O-N 3.42Å; C61-R64 PolarHBondContact O-N 3.37Å
65R77.4Confident75.7Confident111 Ų11173.2 Ų73.242%0.41938%0.378SS..Hα-helixtrans-87.2-39.6-177.2-62.4-160.280.6136.48.5114.6C61 Y62 G63C61-R65 WeakPolarHBondContact O-CG 3.47Å; C61-R65 PolarHBondContact O-N 3.28Å; Y62-R65 PolarHBondContact O-N 3.18Å; G63-R65 PolarHBondContact O-N 3.36Å
66Y83.4Confident74.5Confident79 Ų7971.7 Ų71.731%0.3139%0.385SS..Hα-helixtrans-123.4-18.1-163.6-63.1-70.8000116.6H52 Y57 Y62 G63H52-Y66 HydrophobicContact CB-CD2 4.24Å; H52-Y66 HydrophobicContact CB-CE2 3.79Å; H52-Y66 AromaticContact CD2-CD1 3.71Å; H52-Y66 AromaticContact CD2-CE1 3.82Å; H52-Y66 AromaticContact CD2-CG 3.85Å; H52-Y66 AromaticContact CE1-CD1 3.71Å; H52-Y66 AromaticContact CE1-CE1 3.24Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.28Å; H52-Y66 AromaticContact CE1-CZ 3.75Å; H52-Y66 AromaticContact CG-CE1 3.71Å; H52-Y66 AromaticContact CG-CE2 3.71Å; H52-Y66 AromaticContact CG-CZ 3.51Å; H52-Y66 AromaticContact ND1-CE1 3.35Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.35Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.35Å; H52-Y66 AromaticContact ND1-CZ 3.32Å; H52-Y66 VanDerWaalsContact ND1-CZ 3.32Å; H52-Y66 PolarHBondContact ND1-OH 3.16Å; H52-Y66 AromaticContact NE2-CD1 3.48Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.27Å; H52-Y66 AromaticContact NE2-CE1 3.55Å; Y57-Y66 HydrophobicContact CD2-CE2 4.16Å; Y57-Y66 AromaticContact CE2-CE2 3.9Å; Y57-Y66 HydrophobicContact CE2-CE2 3.9Å; Y62-Y66 AromaticContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CE2 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CG 4.4Å; Y62-Y66 HydrophobicContact CG-CD2 4.34Å; Y62-Y66 WeakPolarHBondContact O-CB 3.43Å; Y62-Y66 PolarHBondContact O-N 3.28Å; G63-Y66 PolarHBondContact O-N 3.3Å; G63-Y66 VanDerWaalsContact O-N 3.16Å
67G78.6Confident72.6Confident28 Ų2877.3 Ų77.329%0.28943%0.432SS..SBendtrans-76-159.2175.100000112G63 K69 Y73G63-G67 PolarHBondContact O-N 2.88Å; G63-G67 VanDerWaalsContact O-N 3.07Å; G67-K69 PolarHBondContact O-N 2.66Å; G67-K69 VanDerWaalsContact O-N 3.09Å; G67-Y73 WeakPolarHBondContact CA-OH 3.31Å; G67-Y73 PolarHBondContact N-OH 3.49Å; G67-Y73 PolarHBondContact O-OH 3.23Å
68P75.8Confident70.9Confident110 Ų11080.5 Ų80.571%0.71447%0.469SS*.  trans-63.9113.9-179.229-34000112.3G70 Y73P68-G70 PolarHBondContact O-N 3.22Å; P68-Y73 WeakPolarHBondContact CD-OH 3.17Å; P68-Y73 WeakPolarHBondContact O-CE2 3.38Å; P68-Y73 PolarHBondContact O-OH 3.01Å
69K66.4Low69Low182 Ų18282.8 Ų82.879%0.79148%0.484SS*.  trans-75.8103.9170.8-70.6173177.8170.30108.4G67G67-K69 PolarHBondContact O-N 2.66Å; G67-K69 VanDerWaalsContact O-N 3.09Å
70G65.1Low67.2Low50 Ų5083.2 Ų83.252%0.51549%0.492SS..SBendtrans-176.4-167.8-176.400000112.2P68 G72P68-G70 PolarHBondContact O-N 3.22Å; G70-G72 PolarHBondContact O-N 2.9Å
71I56.2Low65.8Low139 Ų13982.9 Ų82.971%0.71349%0.493SS*.SBendtrans-66.6103.6177.6-66.3-174000109.7L80I71-L80 HydrophobicContact CG2-CB 4.32Å; I71-L80 HydrophobicContact CG2-CD1 3.76Å; I71-L80 HydrophobicContact CG2-CD2 3.53Å; I71-L80 HydrophobicContact CG2-CG 4.06Å
72G56.3Low64.3Low30 Ų3087.2 Ų87.231%0.30952%0.519SS..  trans105.289.416200000116.3G70 G74G70-G72 PolarHBondContact O-N 2.9Å; G72-G74 PolarHBondContact O-N 2.78Å
73Y55.3Low62.8Low65 Ų6587.1 Ų87.126%0.25552%0.524SS..  trans-80.229.1156.2-99.1-75.3000113.7G63 G67 P68 Q75 S81G63-Y73 WeakPolarHBondContact O-CE1 3.47Å; G63-Y73 PolarHBondContact O-OH 2.91Å; G67-Y73 WeakPolarHBondContact CA-OH 3.31Å; G67-Y73 PolarHBondContact N-OH 3.49Å; G67-Y73 PolarHBondContact O-OH 3.23Å; P68-Y73 WeakPolarHBondContact CD-OH 3.17Å; P68-Y73 WeakPolarHBondContact O-CE2 3.38Å; P68-Y73 PolarHBondContact O-OH 3.01Å; Y73-Q75 PolarHBondContact O-N 3Å; Y73-S81 PolarHBondContact N-O 2.97Å; Y73-S81 VanDerWaalsContact N-O 3.15Å
74G57.3Low61.6Low22 Ų2290.9 Ų90.923%0.22755%0.545CS..  trans-82.7113.7173.800000109.7G72 G76 C79G72-G74 PolarHBondContact O-N 2.78Å; G74-G76 PolarHBondContact O-N 2.96Å; G74-C79 WeakPolarHBondContact CA-O 3.37Å; G74-C79 WeakPolarHBondContact CA-SG 3.42Å; G74-C79 PolarHBondContact N-O 3.42Å
75Q57.4Low60.5Low191 Ų19186.6 Ų86.689%0.89354%0.535SS*.SBendtrans-70.780.8163.7-160169.116.600107.5Y73Y73-Q75 PolarHBondContact O-N 3Å
76G57.2Low59.5Low52 Ų5289 Ų8954%0.53655%0.551SS.*SBendtrans146.5147.4179.500000113.6G74 G78G74-G76 PolarHBondContact O-N 2.96Å; G76-G78 VanDerWaalsContact C-N 3.31Å; G76-G78 PolarHBondContact O-N 3.03Å
77A48Very low58Low123 Ų12393 Ų93100%1.01757%0.572SS**THydrogen-bonded Turntrans-67.186.5171.900000109.8
78G53.8Low56.7Low79 Ų7997 Ų9781%0.81459%0.586SS**THydrogen-bonded Turntrans154.2-7.8173.100000118G76G76-G78 VanDerWaalsContact C-N 3.31Å; G76-G78 PolarHBondContact O-N 3.03Å
79C50.4Low55.3Low63 Ų6394.8 Ų94.843%0.42658%0.584SS.*  trans-117.888.7176.851.50000111.9G74 S81G74-C79 WeakPolarHBondContact CA-O 3.37Å; G74-C79 WeakPolarHBondContact CA-SG 3.42Å; G74-C79 PolarHBondContact N-O 3.42Å; C79-S81 VanDerWaalsContact C-N 3.29Å; C79-S81 PolarHBondContact O-N 3.03Å
80L47.7Very low54.6Low129 Ų12991.2 Ų91.268%0.67557%0.573SS**  trans-77.379170.9-59.5-177.9000109.7I71I71-L80 HydrophobicContact CG2-CB 4.32Å; I71-L80 HydrophobicContact CG2-CD1 3.76Å; I71-L80 HydrophobicContact CG2-CD2 3.53Å; I71-L80 HydrophobicContact CG2-CG 4.06Å
81S55Low53.5Low72 Ų7297.2 Ų97.250%0.50359%0.587SS.*  trans-92.6117.3166.8-80.20000110.1Y73 C79Y73-S81 PolarHBondContact N-O 2.97Å; Y73-S81 VanDerWaalsContact N-O 3.15Å; C79-S81 VanDerWaalsContact C-N 3.29Å; C79-S81 PolarHBondContact O-N 3.03Å
82T56.2Low53Low100 Ų10097.8 Ų97.861%0.61359%0.585SS**  trans-98.926.1172.955.90000111.5T84T82-T84 PolarHBondContact O-N 2.08Å; T82-T84 VanDerWaalsContact O-N 3.13Å
83D56.8Low52.4Low78 Ų78104.9 Ų104.942%0.41761%0.61SS.*  trans-78.1101.4179.1-172-107.8000109.4G85D83-G85 PolarHBondContact O-N 3.06Å; D83-G85 VanDerWaalsContact O-N 3.13Å; D83-G85 WeakPolarHBondContact OD1-CA 3.45Å; D83-G85 PolarHBondContact OD1-N 2.96Å
84T58.5Low51.8Low94 Ų94109.2 Ų109.258%0.57763%0.633SS**  trans-66.94.7170.5410000112.8T82 E86T82-T84 PolarHBondContact O-N 2.08Å; T82-T84 VanDerWaalsContact O-N 3.13Å; T84-E86 PolarHBondContact O-N 3.22Å; T84-E86 PolarHBondContact OG1-OE2 2.78Å
85G57.9Low51.1Low21 Ų21113.3 Ų113.322%0.21666%0.658CS.*SBendtrans71.59.8178.900000114.2D83 H87 L88D83-G85 PolarHBondContact O-N 3.06Å; D83-G85 VanDerWaalsContact O-N 3.13Å; D83-G85 WeakPolarHBondContact OD1-CA 3.45Å; D83-G85 PolarHBondContact OD1-N 2.96Å; G85-H87 PolarHBondContact O-N 3.1Å; G85-L88 PolarHBondContact O-N 2.91Å
86E55.5Low50.8Low163 Ų163109.9 Ų109.976%0.76265%0.652SS**G310 helixtrans-65-23.9-178.7-70.8172.5123.200112.4T84 L88T84-E86 PolarHBondContact O-N 3.22Å; T84-E86 PolarHBondContact OG1-OE2 2.78Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.26Å
87H53Low49.8Very low162 Ų162117 Ų11775%0.7567%0.668SS**G310 helixtrans-73.5-11.4176.2165.3-112.9000114.4G85G85-H87 PolarHBondContact O-N 3.1Å
88L51.8Low49.5Very low111 Ų111117.2 Ų117.258%0.58166%0.659SS**G310 helixtrans-91.911.4-179-72.4170.3000114.8G85 E86 L90G85-L88 PolarHBondContact O-N 2.91Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.26Å; L88-L90 PolarHBondContact O-N 3.06Å; L88-L90 VanDerWaalsContact O-N 3.12Å
89G46.3Very low49.4Very low65 Ų65117.9 Ų117.967%0.6766%0.657SS**  trans60.827.9168.100000114.9Q91G89-Q91 VanDerWaalsContact C-N 3.27Å; G89-Q91 PolarHBondContact O-N 3.02Å
90L51.3Low48.8Very low107 Ų107126.7 Ų126.756%0.5668%0.682SS**  trans-81.876.8174.9-63.4-179.8000109.7L88 F92L88-L90 PolarHBondContact O-N 3.06Å; L88-L90 VanDerWaalsContact O-N 3.12Å; L90-F92 PolarHBondContact O-N 3.41Å; L90-F92 VanDerWaalsContact O-N 3.1Å
91Q41.6Very low48.8Very low175 Ų175126.3 Ų126.382%0.81869%0.69SS**  trans-64.7106.8165.5-160.281.231.400108.3G89 Q93G89-Q91 VanDerWaalsContact C-N 3.27Å; G89-Q91 PolarHBondContact O-N 3.02Å; Q91-Q93 PolarHBondContact O-N 2.89Å
92F45.7Very low48.6Very low151 Ų151127.3 Ų127.366%0.66270%0.702SS**  trans-72.2103.1171.5-177.6-112.5000108.8L90 Q94L90-F92 PolarHBondContact O-N 3.41Å; L90-F92 VanDerWaalsContact O-N 3.1Å; F92-Q94 HydrophobicContact CD1-CG 3.75Å; F92-Q94 HydrophobicContact CE1-CG 3.3Å; F92-Q94 HydrophobicContact CZ-CG 4.11Å; F92-Q94 PolarHBondContact O-N 3.13Å
93Q43.1Very low47.9Very low180 Ų180128.8 Ų128.884%0.84171%0.711SS**  trans-80.8105170.2-74.8-172.4-87.700109.8Q91 S95Q91-Q93 PolarHBondContact O-N 2.89Å; Q93-S95 PolarHBondContact O-N 3.13Å
94Q43.5Very low47.5Very low155 Ų155130.8 Ų130.872%0.72473%0.726SS**  trans-75.999.3160.9-74.6176.8-38.500109.7F92F92-Q94 HydrophobicContact CD1-CG 3.75Å; F92-Q94 HydrophobicContact CE1-CG 3.3Å; F92-Q94 HydrophobicContact CZ-CG 4.11Å; F92-Q94 PolarHBondContact O-N 3.13Å
95S43.3Very low47.1Very low108 Ų108130.8 Ų130.876%0.75573%0.731SS**  trans55.9173142.678.20000119.9Q93Q93-S95 PolarHBondContact O-N 3.13Å
96P51.3Low47.3Very low119 Ų119136.8 Ų136.877%0.77376%0.758SS**  -107.8144-112.330.4-12000114
97K34.6Very low46.9Very low202 Ų202134.4 Ų134.488%0.87876%0.756SS**  trans-137.4145.8168.1-69.2-172.9-175.1171.40112
98P43Very low46.8Very low127 Ų127131.9 Ų131.983%0.82576%0.757SS**  trans-84.2168-151.534.5-35.8000113.8
99A51.1Low47.3Very low94 Ų94135.3 Ų135.378%0.77777%0.767SS**  trans-39.5137179.200000114.9
100R38.5Very low47.4Very low248 Ų248142.1 Ų142.194%0.93678%0.779SS**  trans-153.7132.8138.7-111-176.9-78.5-165.6-0.3111
101S46.1Very low47.7Very low121 Ų121143.7 Ų143.785%0.84679%0.793SS**  trans-68.6161.1-176.1-55.40000113.6
102A52.4Low48.2Very low93 Ų93140.1 Ų140.177%0.76979%0.793SS**  trans-46.5146.7-175.900000117.1
103T39.8Very low48.9Very low131 Ų131141.5 Ų141.580%0.80480%0.799SS**  trans-161.9119.4137.9-8.50000112.8
104T49.3Very low49Very low119 Ų119142 Ų14273%0.7380%0.798SS**  trans54.3135.7138.6-160.30000124.2
105S49.8Very low49.4Very low95 Ų95137.3 Ų137.366%0.66479%0.791SS**  trans72.8100.9146.6490000120.4
106N62.8Low50.2Low147 Ų147140.8 Ų140.879%0.78680%0.796SS**  trans-39.8143.1144.8-74.1-18.9000111.7
107P47.3Very low50.8Low113 Ų113138.5 Ų138.573%0.73478%0.783SS**  -137.9103.7106.632.2-17.4000110.5K109P107-K109 VanDerWaalsContact C-N 3.28Å; P107-K109 PolarHBondContact O-N 2.9Å
108S49.6Very low52.9Low108 Ų108132.2 Ų132.276%0.75576%0.756SS**  trans-7284.3170.333.90000110.1
109K62.7Low55Low184 Ų184132.8 Ų132.880%0.875%0.746SS**  trans-96.794.8157.7-75.1178.7-176.8168.20108.2P107P107-K109 VanDerWaalsContact C-N 3.28Å; P107-K109 PolarHBondContact O-N 2.9Å
110F49.2Very low56.7Low208 Ų208128.3 Ų128.391%0.91271%0.709SS**  trans-132.890153.8-93.8-85.1000108.3
111T57.4Low58.9Low140 Ų140119.7 Ų119.786%0.85969%0.685SS**  trans-72.7119.2157.640.30000108.8
112A52.4Low60.7Low99 Ų99117.6 Ų117.682%0.81866%0.658SS**  trans-155.6122.514800000108.8
113K59.1Low62.3Low180 Ų180115.4 Ų115.478%0.78364%0.637SS**  trans-80.9162.4-173.1-62.6163123.6177.20111.2
114F46.8Very low64.3Low191 Ų191111.6 Ų111.684%0.83862%0.624SS**  trans81.166.3159.9-57.9-74.9000118.3
115G52.1Low65.9Low56 Ų56112.9 Ų112.958%0.57762%0.619SS**  -127.9118.3129.600000106.5S117G115-S117 PolarHBondContact O-N 3.44Å; G115-S117 PolarHBondContact O-OG 2.82Å; G115-S117 VanDerWaalsContact O-OG 3.05Å
116E58.7Low67.7Low182 Ų182110.5 Ų110.585%0.8560%0.603SS**  trans-56.986.4172-178.3108.1-129.400107.7E118E116-E118 VanDerWaalsContact C-N 3.27Å; E116-E118 PolarHBondContact O-N 2.62Å
117S64.4Low68.8Low71 Ų71104.1 Ų104.150%0.49757%0.569SS.*  trans-79.291.2-179.6-55.30000104.7G115 K119G115-S117 PolarHBondContact O-N 3.44Å; G115-S117 PolarHBondContact O-OG 2.82Å; G115-S117 VanDerWaalsContact O-OG 3.05Å; S117-K119 WeakPolarHBondContact O-CG 3.35Å; S117-K119 PolarHBondContact O-N 2.86Å
118E79.2Confident70.6Confident70 Ų70106.7 Ų106.733%0.32757%0.566SS.*  trans-40.9108.2174.1-70-69.6-166.600110E116 V127 P139E116-E118 VanDerWaalsContact C-N 3.27Å; E116-E118 PolarHBondContact O-N 2.62Å; E118-V127 WeakPolarHBondContact O-CB 3.39Å; E118-V127 PolarHBondContact O-N 3.42Å; E118-P139 HydrophobicContact CB-CB 3.69Å; E118-P139 HydrophobicContact CB-CG 3.58Å; E118-P139 HydrophobicContact CG-CB 4.4Å; E118-P139 HydrophobicContact CG-CG 4.33Å; E118-P139 WeakPolarHBondContact OE2-CD 3.26Å; E118-P139 WeakPolarHBondContact OE2-CG 3.33Å
119K85.8Confident72Confident139 Ų139106.2 Ų106.260%0.60457%0.568SS**BIsolated β-bridgetrans-99.7137-174.2-54.9-171.2-175.8170.40110.7S117 P121S117-K119 WeakPolarHBondContact O-CG 3.35Å; S117-K119 PolarHBondContact O-N 2.86Å; K119-P121 WeakPolarHBondContact O-CD 2.7Å
120C87.9Confident72.9Confident0 Ų0101.2 Ų101.20%056%0.561CS.*  trans-71124.8174.3179.70000109.6R122 C123 G124 K125 V127 P139 H141C120-R122 PolarHBondContact O-N 3.09Å; C120-C123 VanDerWaalsContact CB-SG 3.58Å; C120-G124 VanDerWaalsContact O-CA 3.28Å; C120-G124 WeakPolarHBondContact O-CA 2.97Å; C120-G124 PolarHBondContact O-N 2.99Å; C120-K125 PolarHBondContact N-O 3.07Å; C120-V127 HydrophobicContact CB-CG2 3.58Å; C120-P139 WeakPolarHBondContact CA-O 3.03Å; C120-H141 VanDerWaalsContact CB-CE1 3.43Å; C120-H141 WeakPolarHBondContact CB-CE1 3.4Å; C120-H141 VanDerWaalsContact CB-ND1 3.27Å; C120-H141 WeakPolarHBondContact CB-ND1 3.42Å
121P83.7Confident74.4Confident66 Ų6695.3 Ų95.343%0.42954%0.536SS..THydrogen-bonded Turntrans-66.8-20.3-178.827-35.7000113.2K119 P139 W140K119-P121 WeakPolarHBondContact O-CD 2.7Å; P121-P139 VanDerWaalsContact CD-O 3.25Å; P121-P139 WeakPolarHBondContact CD-O 3.49Å; P121-W140 HydrophobicContact CB-CZ2 4.44Å; P121-W140 HydrophobicContact CG-CD2 3.88Å; P121-W140 VanDerWaalsContact CG-CE2 3.42Å; P121-W140 HydrophobicContact CG-CE3 4.17Å; P121-W140 HydrophobicContact CG-CH2 3.59Å; P121-W140 HydrophobicContact CG-CZ2 3.25Å; P121-W140 HydrophobicContact CG-CZ3 4.06Å
122R84.1Confident75.6Confident77 Ų7792.8 Ų92.829%0.29151%0.513SS..THydrogen-bonded Turntrans-85.3-36.7-179173.3164.9-74.8174.9-5.6114.6C120 W140 C144 R146C120-R122 PolarHBondContact O-N 3.09Å; R122-W140 HydrophobicContact CB-CE3 4.1Å; R122-W140 HydrophobicContact CB-CH2 4.38Å; R122-W140 HydrophobicContact CB-CZ3 3.53Å; R122-C144 PolarHBondContact NH1-O 3.38Å; R122-R146 PolarHBondContact NH1-O 3.03Å
123C85.9Confident77.2Confident47 Ų4789.3 Ų89.332%0.31848%0.482SS..THydrogen-bonded Turntrans-113.8-7.7-177.171.30000113.3C120 K125 H141C120-C123 VanDerWaalsContact CB-SG 3.58Å; C123-K125 PolarHBondContact O-N 2.87Å; C123-K125 VanDerWaalsContact O-N 3.1Å; C123-H141 PolarHBondContact SG-CE1 3Å; C123-H141 PolarHBondContact SG-ND1 3.4Å
124G81.9Confident78.3Confident52 Ų5284.9 Ų84.954%0.53647%0.465SS..  trans69.5-0.9-178.800000114.7C120C120-G124 VanDerWaalsContact O-CA 3.28Å; C120-G124 WeakPolarHBondContact O-CA 2.97Å; C120-G124 PolarHBondContact O-N 2.99Å
125K84.1Confident79.9Confident145 Ų14576 Ų7663%0.6343%0.427SS*.  trans-86.1151.9-178.6-58.5173.3-174.1176.90110.8C120 C123 H141C120-K125 PolarHBondContact N-O 3.07Å; C123-K125 PolarHBondContact O-N 2.87Å; C123-K125 VanDerWaalsContact O-N 3.1Å; K125-H141 PolarHBondContact O-CE1 3.11Å
126S86.4Confident80.9Confident45 Ų4575 Ų7532%0.31542%0.417SS..BIsolated β-bridgetrans-61.4137.5173.9-49.90000111H141S126-H141 PolarHBondContact O-NE2 2.99Å
127V85.8Confident81.9Confident14 Ų1469.7 Ų69.79%0.08541%0.411CS..  trans-99.5113.4177.4-177.20000108.1E118 C120 K132 P139 W140E118-V127 WeakPolarHBondContact O-CB 3.39Å; E118-V127 PolarHBondContact O-N 3.42Å; C120-V127 HydrophobicContact CB-CG2 3.58Å; V127-K132 VanDerWaalsContact CG1-CA 3.41Å; V127-K132 HydrophobicContact CG1-CB 3.75Å; V127-K132 HydrophobicContact CG1-CG 4.16Å; V127-P139 HydrophobicContact CB-CB 4.32Å; V127-P139 HydrophobicContact CG2-CB 4.29Å; V127-W140 WeakPolarHBondContact CG1-O 3.4Å
128Y84.9Confident82.8Confident167 Ų16771.8 Ų71.866%0.65541%0.411SS*.  trans-83.9154.9176.2-63.7-81.6000110.9A130 E131 K132Y128-A130 PolarHBondContact O-N 3.45Å; Y128-E131 PolarHBondContact O-N 2.96Å; Y128-K132 PolarHBondContact O-N 2.85Å
129A79.8Confident83.2Confident98 Ų9868.9 Ų68.981%0.8140%0.398SS*.THydrogen-bonded Turntrans-52.5-32.1-176.200000114.1E131A129-E131 VanDerWaalsContact C-N 3.33Å; A129-E131 PolarHBondContact O-N 2.96Å
130A81.4Confident83.3Confident78 Ų7862.5 Ų62.565%0.64537%0.37SS*.THydrogen-bonded Turntrans-66.2-30.5178.500000114.2Y128 K142Y128-A130 PolarHBondContact O-N 3.45Å; A130-K142 PolarHBondContact O-NZ 2.76Å
131E79.9Confident83.3Confident84 Ų8463.1 Ų63.139%0.39337%0.373SS..THydrogen-bonded Turntrans-112.9-0-176.6-62.5-165.112400113.3Y128 A129 V133 H141 K142Y128-E131 PolarHBondContact O-N 2.96Å; A129-E131 VanDerWaalsContact C-N 3.33Å; A129-E131 PolarHBondContact O-N 2.96Å; E131-V133 PolarHBondContact O-N 3.44Å; E131-H141 WeakPolarHBondContact O-CA 3.38Å; E131-H141 IonicContact OE2-CD2 3.6Å; E131-K142 PolarHBondContact O-N 3.08Å; E131-K142 VanDerWaalsContact O-N 3.08Å
132K83.3Confident83.4Confident87 Ų8765.8 Ų65.838%0.37838%0.378SS..EExtended strand (participates in β ladder)trans-65.9121.3-178.2-177.3177.2175.71730111.1V127 Y128 M134V127-K132 VanDerWaalsContact CG1-CA 3.41Å; V127-K132 HydrophobicContact CG1-CB 3.75Å; V127-K132 HydrophobicContact CG1-CG 4.16Å; Y128-K132 PolarHBondContact O-N 2.85Å; K132-M134 WeakPolarHBondContact CE-SD 3.25Å
133V85.8Confident83.4Confident27 Ų2766.7 Ų66.716%0.16439%0.392CS..EExtended strand (participates in β ladder)trans-124.9141.1162.7-61.60000109.1E131 W140 K142 F145E131-V133 PolarHBondContact O-N 3.44Å; V133-W140 HydrophobicContact CG2-CB 3.89Å; V133-W140 WeakPolarHBondContact CG2-O 3.42Å; V133-W140 PolarHBondContact N-O 2.9Å; V133-W140 PolarHBondContact O-N 3.06Å; V133-K142 HydrophobicContact CG1-CG 3.64Å; V133-F145 HydrophobicContact CG2-CB 3.69Å; V133-F145 HydrophobicContact CG2-CD1 4.39Å; V133-F145 HydrophobicContact CG2-CD2 3.48Å; V133-F145 VanDerWaalsContact CG2-CD2 3.48Å; V133-F145 HydrophobicContact CG2-CE2 4.08Å; V133-F145 HydrophobicContact CG2-CG 3.62Å
134M83.3Confident83.4Confident87 Ų8765.3 Ų65.343%0.42938%0.383SS..EExtended strand (participates in β ladder)trans-96.7129179.1-64.8-60.9-67.300109.4K132 P139K132-M134 WeakPolarHBondContact CE-SD 3.25Å; M134-P139 HydrophobicContact SD-CB 4.48Å
135G79.4Confident83.7Confident4 Ų463 Ų634%0.04136%0.358CS..EExtended strand (participates in β ladder)trans-148.5132170.300000110.8G137 K138 W140G135-G137 PolarHBondContact O-N 2.91Å; G135-K138 PolarHBondContact N-O 3.24Å; G135-K138 PolarHBondContact O-N 2.87Å; G135-K138 VanDerWaalsContact O-N 3.1Å; G135-W140 PolarHBondContact O-NE1 2.81Å
136G73.8Confident83.9Confident35 Ų3562.2 Ų62.236%0.36135%0.351SS..THydrogen-bonded Turntrans5833.9-175.100000113.5K138 D161G136-K138 PolarHBondContact O-N 2.89Å; G136-K138 VanDerWaalsContact O-N 3.14Å; G136-D161 VanDerWaalsContact CA-OD1 3.31Å; G136-D161 WeakPolarHBondContact CA-OD1 3.49Å; G136-D161 WeakPolarHBondContact CA-OD2 3.44Å
137G78.6Confident84Confident70 Ų7060.1 Ų60.172%0.72234%0.337SS*.THydrogen-bonded Turntrans69.94.5-177.100000115.6G135G135-G137 PolarHBondContact O-N 2.91Å
138K83.8Confident84Confident116 Ų11661.8 Ų61.850%0.50435%0.352SS..EExtended strand (participates in β ladder)trans-113.2153.1178.5-67.1-179.5-172.5-67.20111.8G135 G136G135-K138 PolarHBondContact N-O 3.24Å; G135-K138 PolarHBondContact O-N 2.87Å; G135-K138 VanDerWaalsContact O-N 3.1Å; G136-K138 PolarHBondContact O-N 2.89Å; G136-K138 VanDerWaalsContact O-N 3.14Å
139P87.3Confident84Confident8 Ų858.2 Ų58.25%0.05234%0.343CS..EExtended strand (participates in β ladder)trans-79.2138.6175.336.1-41.7000111.8E118 C120 P121 V127 M134E118-P139 HydrophobicContact CB-CB 3.69Å; E118-P139 HydrophobicContact CB-CG 3.58Å; E118-P139 HydrophobicContact CG-CB 4.4Å; E118-P139 HydrophobicContact CG-CG 4.33Å; E118-P139 WeakPolarHBondContact OE2-CD 3.26Å; E118-P139 WeakPolarHBondContact OE2-CG 3.33Å; C120-P139 WeakPolarHBondContact CA-O 3.03Å; P121-P139 VanDerWaalsContact CD-O 3.25Å; P121-P139 WeakPolarHBondContact CD-O 3.49Å; V127-P139 HydrophobicContact CB-CB 4.32Å; V127-P139 HydrophobicContact CG2-CB 4.29Å; M134-P139 HydrophobicContact SD-CB 4.48Å
140W88.8Confident84.3Confident6 Ų656.4 Ų56.42%0.02332%0.323CS..EExtended strand (participates in β ladder)trans-135.4156.9175.6-62.476.9000110.2P121 R122 V127 V133 G135 C144 F145 L166P121-W140 HydrophobicContact CB-CZ2 4.44Å; P121-W140 HydrophobicContact CG-CD2 3.88Å; P121-W140 VanDerWaalsContact CG-CE2 3.42Å; P121-W140 HydrophobicContact CG-CE3 4.17Å; P121-W140 HydrophobicContact CG-CH2 3.59Å; P121-W140 HydrophobicContact CG-CZ2 3.25Å; P121-W140 HydrophobicContact CG-CZ3 4.06Å; R122-W140 HydrophobicContact CB-CE3 4.1Å; R122-W140 HydrophobicContact CB-CH2 4.38Å; R122-W140 HydrophobicContact CB-CZ3 3.53Å; V127-W140 WeakPolarHBondContact CG1-O 3.4Å; V133-W140 HydrophobicContact CG2-CB 3.89Å; V133-W140 WeakPolarHBondContact CG2-O 3.42Å; V133-W140 PolarHBondContact N-O 2.9Å; V133-W140 PolarHBondContact O-N 3.06Å; G135-W140 PolarHBondContact O-NE1 2.81Å; W140-C144 HydrophobicContact CE3-CB 4.46Å; W140-F145 HydrophobicContact CB-CB 4.49Å; W140-F145 HydrophobicContact CB-CD2 3.78Å; W140-F145 HydrophobicContact CD2-CD2 4.48Å; W140-F145 AromaticContact CG-CD2 3.94Å; W140-F145 HydrophobicContact CG-CD2 3.94Å; W140-L166 HydrophobicContact CD2-CD1 3.62Å; W140-L166 HydrophobicContact CD2-CG 4.31Å; W140-L166 HydrophobicContact CE3-CD1 3.72Å; W140-L166 HydrophobicContact CE3-CG 4.39Å; W140-L166 HydrophobicContact CG-CD1 4.18Å; W140-L166 HydrophobicContact CH2-CD1 3.98Å; W140-L166 HydrophobicContact CH2-CD2 4.46Å; W140-L166 HydrophobicContact CH2-CG 3.72Å; W140-L166 HydrophobicContact CZ2-CD1 3.87Å; W140-L166 HydrophobicContact CZ2-CD2 3.87Å; W140-L166 HydrophobicContact CZ2-CG 3.6Å; W140-L166 HydrophobicContact CZ3-CD1 3.87Å; W140-L166 HydrophobicContact CZ3-CG 4.08Å
141H88.3Confident84.4Confident12 Ų1254.6 Ų54.66%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-77.1145.3165.5-55.298.8000110.3C120 C123 K125 S126 E131 T143 C144 F145C120-H141 VanDerWaalsContact CB-CE1 3.43Å; C120-H141 WeakPolarHBondContact CB-CE1 3.4Å; C120-H141 VanDerWaalsContact CB-ND1 3.27Å; C120-H141 WeakPolarHBondContact CB-ND1 3.42Å; C123-H141 PolarHBondContact SG-CE1 3Å; C123-H141 PolarHBondContact SG-ND1 3.4Å; K125-H141 PolarHBondContact O-CE1 3.11Å; S126-H141 PolarHBondContact O-NE2 2.99Å; E131-H141 WeakPolarHBondContact O-CA 3.38Å; E131-H141 IonicContact OE2-CD2 3.6Å; H141-T143 PolarHBondContact O-N 3.32Å; H141-T143 VanDerWaalsContact O-N 3.11Å; H141-C144 HydrophobicContact CB-CB 4.01Å; H141-C144 CarbonylContact O-C 3.58Å; H141-C144 WeakPolarHBondContact O-CA 3.2Å; H141-C144 PolarHBondContact O-N 3.42Å; H141-F145 WeakPolarHBondContact O-CB 3.36Å; H141-F145 PolarHBondContact O-N 2.94Å
142K84.6Confident84.6Confident123 Ų12357.7 Ų57.754%0.53533%0.325SS..THydrogen-bonded Turntrans-47.9-38.2169.8-71171.7178.8168.30113.1A130 E131 V133A130-K142 PolarHBondContact O-NZ 2.76Å; E131-K142 PolarHBondContact O-N 3.08Å; E131-K142 VanDerWaalsContact O-N 3.08Å; V133-K142 HydrophobicContact CG1-CG 3.64Å
143T85.1Confident84.7Confident96 Ų9658.3 Ų58.359%0.58934%0.34SS*.THydrogen-bonded Turntrans-75-30.117854.70000113.6H141H141-T143 PolarHBondContact O-N 3.32Å; H141-T143 VanDerWaalsContact O-N 3.11Å
144C85.9Confident84.4Confident18 Ų1858.2 Ų58.212%0.12234%0.338CS..THydrogen-bonded Turntrans-86.6-18.4-179.9-66.90000112.6R122 W140 H141 R146R122-C144 PolarHBondContact NH1-O 3.38Å; W140-C144 HydrophobicContact CE3-CB 4.46Å; H141-C144 HydrophobicContact CB-CB 4.01Å; H141-C144 CarbonylContact O-C 3.58Å; H141-C144 WeakPolarHBondContact O-CA 3.2Å; H141-C144 PolarHBondContact O-N 3.42Å; C144-R146 PolarHBondContact O-N 3.15Å
145F87.2Confident84Confident3 Ų360.9 Ų60.91%0.01335%0.35CS..  trans-76.969.3-179.1-158.1-97.7000111.6V133 W140 H141 L154 V159 L166V133-F145 HydrophobicContact CG2-CB 3.69Å; V133-F145 HydrophobicContact CG2-CD1 4.39Å; V133-F145 HydrophobicContact CG2-CD2 3.48Å; V133-F145 VanDerWaalsContact CG2-CD2 3.48Å; V133-F145 HydrophobicContact CG2-CE2 4.08Å; V133-F145 HydrophobicContact CG2-CG 3.62Å; W140-F145 HydrophobicContact CB-CB 4.49Å; W140-F145 HydrophobicContact CB-CD2 3.78Å; W140-F145 HydrophobicContact CD2-CD2 4.48Å; W140-F145 AromaticContact CG-CD2 3.94Å; W140-F145 HydrophobicContact CG-CD2 3.94Å; H141-F145 WeakPolarHBondContact O-CB 3.36Å; H141-F145 PolarHBondContact O-N 2.94Å; F145-L154 HydrophobicContact CD1-CB 3.65Å; F145-L154 WeakPolarHBondContact CD1-O 3.36Å; F145-L154 HydrophobicContact CE1-CB 3.62Å; F145-L154 PolarHBondContact O-N 3.07Å; F145-V159 HydrophobicContact CE1-CB 3.99Å; F145-V159 HydrophobicContact CE1-CG1 4.23Å; F145-V159 HydrophobicContact CE1-CG2 4.25Å; F145-V159 HydrophobicContact CE2-CG1 4.41Å; F145-V159 HydrophobicContact CE2-CG2 4.43Å; F145-V159 HydrophobicContact CZ-CB 3.71Å; F145-V159 HydrophobicContact CZ-CG1 3.53Å; F145-V159 HydrophobicContact CZ-CG2 3.87Å; F145-L166 HydrophobicContact CD2-CD1 3.27Å; F145-L166 HydrophobicContact CE2-CD1 3.53Å; F145-L166 HydrophobicContact CG-CD1 3.94Å; F145-L166 HydrophobicContact CZ-CD1 4.33Å
146R88.6Confident83.6Confident128 Ų12864.7 Ų64.748%0.48338%0.376SS..BIsolated β-bridgetrans-132.5152-17864.9-176.5-177.2176.20.3110.8R122 C144 A148 K152R122-R146 PolarHBondContact NH1-O 3.03Å; C144-R146 PolarHBondContact O-N 3.15Å; R146-A148 PolarHBondContact O-N 2.08Å; R146-K152 CarbonylContact C-O 3.53Å; R146-K152 VanDerWaalsContact CA-O 3.26Å; R146-K152 WeakPolarHBondContact CA-O 3.3Å
147C88.4Confident83.2Confident2 Ų268.3 Ų68.31%0.01439%0.391CS..  trans-63.1133.7177.1-177.70000111.2I149 C150 G151 K152 L154 L166 C168 C171C147-I149 VanDerWaalsContact C-N 3.26Å; C147-I149 PolarHBondContact O-N 3.36Å; C147-I149 PolarHBondContact SG-N 3.01Å; C147-I149 VanDerWaalsContact SG-N 3.38Å; C147-C150 WeakPolarHBondContact CB-SG 3.42Å; C147-G151 VanDerWaalsContact O-CA 3.25Å; C147-G151 WeakPolarHBondContact O-CA 3.49Å; C147-G151 PolarHBondContact O-N 3.07Å; C147-K152 PolarHBondContact N-O 3.23Å; C147-L154 HydrophobicContact CB-CD1 4.14Å; C147-L154 HydrophobicContact CB-CD2 4.28Å; C147-L154 HydrophobicContact CB-CG 4.34Å; C147-L166 WeakPolarHBondContact CA-O 3.15Å; C147-C168 HydrophobicContact CB-CB 4.02Å; C147-C168 PolarHBondContact SG-N 3.39Å; C147-C168 VanDerWaalsContact SG-N 3.36Å; C147-C171 PolarHBondContact SG-SG 3.46Å
148A85.7Confident82.8Confident48 Ų4868.5 Ų68.540%0.39738%0.376SS..THydrogen-bonded Turntrans-63.8-29.7175.500000113.4R146 L166 Y167R146-A148 PolarHBondContact O-N 2.08Å; A148-L166 PolarHBondContact N-O 3.41Å; A148-Y167 HydrophobicContact CB-CD1 4.47Å; A148-Y167 HydrophobicContact CB-CE1 4Å
149I84.8Confident82.6Confident93 Ų9364.3 Ų64.348%0.47736%0.36SS..THydrogen-bonded Turntrans-86.9-55.4-176.1-61.2173.6000111.5C147 Y167 C171 N175C147-I149 VanDerWaalsContact C-N 3.26Å; C147-I149 PolarHBondContact O-N 3.36Å; C147-I149 PolarHBondContact SG-N 3.01Å; C147-I149 VanDerWaalsContact SG-N 3.38Å; I149-Y167 HydrophobicContact CD1-CD1 3.61Å; I149-Y167 HydrophobicContact CD1-CE1 3.74Å; I149-Y167 HydrophobicContact CG1-CD1 3.83Å; I149-Y167 HydrophobicContact CG1-CE1 3.78Å; I149-C171 HydrophobicContact CB-CB 4.28Å; I149-C171 HydrophobicContact CD1-CB 4.01Å; I149-N175 HydrophobicContact CD1-CB 4.2Å
150C86.6Confident82.3Confident59 Ų5965.6 Ų65.640%0.39937%0.367SS..THydrogen-bonded Turntrans-101.4-3.9-172.2700000114.3C147 K152 C171C147-C150 WeakPolarHBondContact CB-SG 3.42Å; C150-K152 PolarHBondContact O-N 2.85Å; C150-C171 PolarHBondContact SG-SG 3.05Å
151G83.9Confident82.1Confident41 Ų4169 Ų6942%0.42339%0.386SS..  trans67.9-2.3-179.300000115.5C147 S153C147-G151 VanDerWaalsContact O-CA 3.25Å; C147-G151 WeakPolarHBondContact O-CA 3.49Å; C147-G151 PolarHBondContact O-N 3.07Å; G151-S153 PolarHBondContact O-N 3.38Å
152K83.6Confident81.6Confident149 Ų14971.6 Ų71.665%0.64840%0.397SS*.PPolyproline II helixtrans-63.6132.5178-73.1-173.4179.8-168.80110.5R146 C147 C150 L154R146-K152 CarbonylContact C-O 3.53Å; R146-K152 VanDerWaalsContact CA-O 3.26Å; R146-K152 WeakPolarHBondContact CA-O 3.3Å; C147-K152 PolarHBondContact N-O 3.23Å; C150-K152 PolarHBondContact O-N 2.85Å; K152-L154 PolarHBondContact O-N 3.3Å
153S84.3Confident81Confident99 Ų9972.8 Ų72.869%0.69241%0.409SS*.BIsolated β-bridgetrans-56.7129.6167.6-53.30000109.1G151G151-S153 PolarHBondContact O-N 3.38Å
154L81.1Confident80.5Confident25 Ų2570.1 Ų70.113%0.13140%0.401CS..PPolyproline II helixtrans-97157178.3-59.8175.3000108.7F145 C147 K152 V159 L166 C168F145-L154 HydrophobicContact CD1-CB 3.65Å; F145-L154 WeakPolarHBondContact CD1-O 3.36Å; F145-L154 HydrophobicContact CE1-CB 3.62Å; F145-L154 PolarHBondContact O-N 3.07Å; C147-L154 HydrophobicContact CB-CD1 4.14Å; C147-L154 HydrophobicContact CB-CD2 4.28Å; C147-L154 HydrophobicContact CB-CG 4.34Å; K152-L154 PolarHBondContact O-N 3.3Å; L154-V159 HydrophobicContact CD1-CB 4.36Å; L154-V159 HydrophobicContact CD1-CG2 3.76Å; L154-L166 HydrophobicContact CD1-CB 4.15Å; L154-C168 HydrophobicContact CD2-CB 3.53Å
155E75Confident80.3Confident144 Ų14473.6 Ų73.667%0.67342%0.416SS*.  trans-105.7152168-84.2175.5177.900109.1T157 N158E155-T157 PolarHBondContact O-N 3.14Å; E155-N158 PolarHBondContact O-N 3.1Å
156S69.3Low80.3Confident84 Ų8473.4 Ų73.459%0.58742%0.415SS*.THydrogen-bonded Turntrans-50.9-27.3-178.237.30000113.5
157T67Low80.2Confident111 Ų11168.4 Ų68.468%0.68140%0.396SS*.THydrogen-bonded Turntrans-82.1-19.3-177.5-41.60000114.2E155E155-T157 PolarHBondContact O-N 3.14Å
158N69.1Low80.2Confident73 Ų7369 Ų6939%0.3940%0.4SS..SBendtrans-132.334.1-169.3-73.3-66.3000114E155 K169E155-N158 PolarHBondContact O-N 3.1Å; N158-K169 HydrophobicContact CB-CD 4.46Å; N158-K169 VanDerWaalsContact OD1-CE 3.3Å; N158-K169 WeakPolarHBondContact OD1-CE 3.27Å; N158-K169 PolarHBondContact OD1-NZ 2.79Å
159V79.1Confident80.1Confident29 Ų2972.2 Ų72.218%0.17641%0.405CS..EExtended strand (participates in β ladder)trans-103.2146.8176.966.70000111.3F145 L154 L166F145-V159 HydrophobicContact CE1-CB 3.99Å; F145-V159 HydrophobicContact CE1-CG1 4.23Å; F145-V159 HydrophobicContact CE1-CG2 4.25Å; F145-V159 HydrophobicContact CE2-CG1 4.41Å; F145-V159 HydrophobicContact CE2-CG2 4.43Å; F145-V159 HydrophobicContact CZ-CB 3.71Å; F145-V159 HydrophobicContact CZ-CG1 3.53Å; F145-V159 HydrophobicContact CZ-CG2 3.87Å; L154-V159 HydrophobicContact CD1-CB 4.36Å; L154-V159 HydrophobicContact CD1-CG2 3.76Å; V159-L166 HydrophobicContact CG2-CB 3.91Å; V159-L166 HydrophobicContact CG2-CD1 4.31Å; V159-L166 HydrophobicContact CG2-CD2 3.71Å; V159-L166 HydrophobicContact CG2-CG 4.17Å
160T82Confident80.1Confident34 Ų3472.2 Ų72.221%0.20941%0.409CS..EExtended strand (participates in β ladder)trans-124.3125.9166.7-50.50000108Y167 Y172T160-Y167 PolarHBondContact N-O 3.07Å; T160-Y167 VanDerWaalsContact N-O 3.07Å; T160-Y167 PolarHBondContact O-N 3.22Å; T160-Y172 HydrophobicContact CG2-CD1 3.98Å; T160-Y172 HydrophobicContact CG2-CD2 3.95Å; T160-Y172 HydrophobicContact CG2-CE1 3.99Å; T160-Y172 HydrophobicContact CG2-CE2 4.04Å; T160-Y172 HydrophobicContact CG2-CG 3.94Å
161D83.8Confident80Confident79 Ų7969.9 Ų69.942%0.42239%0.394SS..EExtended strand (participates in β ladder)trans-93.4135.2172.563.6-67.7000110.7G136 E165 L166G136-D161 VanDerWaalsContact CA-OD1 3.31Å; G136-D161 WeakPolarHBondContact CA-OD1 3.49Å; G136-D161 WeakPolarHBondContact CA-OD2 3.44Å; D161-E165 WeakPolarHBondContact CA-O 3.38Å; D161-L166 HydrophobicContact CB-CD2 4.04Å
162K77.8Confident80.2Confident65 Ų6570.9 Ų70.928%0.28339%0.385SS..EExtended strand (participates in β ladder)trans-139.8131.2169.6-66.5-82.5-81.9-139.60107.6G164 E165 Y167 Y172K162-G164 PolarHBondContact O-N 2.99Å; K162-E165 PolarHBondContact N-O 3.48Å; K162-E165 PolarHBondContact O-N 3.2Å; K162-Y167 HydrophobicContact CB-CD2 4.15Å; K162-Y167 HydrophobicContact CB-CE2 3.9Å; K162-Y167 HydrophobicContact CG-CD2 4.45Å; K162-Y172 HydrophobicContact CD-CE2 3.48Å; K162-Y172 VanDerWaalsContact CD-CE2 3.48Å; K162-Y172 HydrophobicContact CG-CD2 3.9Å; K162-Y172 HydrophobicContact CG-CE2 3.32Å; K162-Y172 PolarHBondContact NZ-OH 3.37Å
163D73.5Confident80.2Confident148 Ų14866.7 Ų66.779%0.79138%0.378SS*.THydrogen-bonded Turntrans5426.6173.9-55.5-62.8000114.7
164G74.6Confident80.2Confident40 Ų4070.3 Ų70.341%0.41238%0.381SS..THydrogen-bonded Turntrans875-178.600000115K162K162-G164 PolarHBondContact O-N 2.99Å
165E80.8Confident80.2Confident91 Ų9174 Ų7443%0.42540%0.402SS..EExtended strand (participates in β ladder)trans-116.1146.7179-72.4164.1123.600112.1D161 K162 Y167D161-E165 WeakPolarHBondContact CA-O 3.38Å; K162-E165 PolarHBondContact N-O 3.48Å; K162-E165 PolarHBondContact O-N 3.2Å; E165-Y167 HydrophobicContact CB-CE2 3.76Å; E165-Y167 WeakPolarHBondContact O-CD2 3.33Å; E165-Y167 WeakPolarHBondContact O-CE2 3.31Å
166L86.5Confident80.5Confident0 Ų070.6 Ų70.60%039%0.385CS..EExtended strand (participates in β ladder)trans-97.4130.3-176.5-57.1179.8000111.2W140 F145 C147 A148 L154 V159 D161W140-L166 HydrophobicContact CD2-CD1 3.62Å; W140-L166 HydrophobicContact CD2-CG 4.31Å; W140-L166 HydrophobicContact CE3-CD1 3.72Å; W140-L166 HydrophobicContact CE3-CG 4.39Å; W140-L166 HydrophobicContact CG-CD1 4.18Å; W140-L166 HydrophobicContact CH2-CD1 3.98Å; W140-L166 HydrophobicContact CH2-CD2 4.46Å; W140-L166 HydrophobicContact CH2-CG 3.72Å; W140-L166 HydrophobicContact CZ2-CD1 3.87Å; W140-L166 HydrophobicContact CZ2-CD2 3.87Å; W140-L166 HydrophobicContact CZ2-CG 3.6Å; W140-L166 HydrophobicContact CZ3-CD1 3.87Å; W140-L166 HydrophobicContact CZ3-CG 4.08Å; F145-L166 HydrophobicContact CD2-CD1 3.27Å; F145-L166 HydrophobicContact CE2-CD1 3.53Å; F145-L166 HydrophobicContact CG-CD1 3.94Å; F145-L166 HydrophobicContact CZ-CD1 4.33Å; C147-L166 WeakPolarHBondContact CA-O 3.15Å; A148-L166 PolarHBondContact N-O 3.41Å; L154-L166 HydrophobicContact CD1-CB 4.15Å; V159-L166 HydrophobicContact CG2-CB 3.91Å; V159-L166 HydrophobicContact CG2-CD1 4.31Å; V159-L166 HydrophobicContact CG2-CD2 3.71Å; V159-L166 HydrophobicContact CG2-CG 4.17Å; D161-L166 HydrophobicContact CB-CD2 4.04Å
167Y86.8Confident80.8Confident22 Ų2267.5 Ų67.59%0.08637%0.366CS..EExtended strand (participates in β ladder)trans-122.9147178.7-59-84.4000111.6A148 I149 T160 K162 E165 F176A148-Y167 HydrophobicContact CB-CD1 4.47Å; A148-Y167 HydrophobicContact CB-CE1 4Å; I149-Y167 HydrophobicContact CD1-CD1 3.61Å; I149-Y167 HydrophobicContact CD1-CE1 3.74Å; I149-Y167 HydrophobicContact CG1-CD1 3.83Å; I149-Y167 HydrophobicContact CG1-CE1 3.78Å; T160-Y167 PolarHBondContact N-O 3.07Å; T160-Y167 VanDerWaalsContact N-O 3.07Å; T160-Y167 PolarHBondContact O-N 3.22Å; K162-Y167 HydrophobicContact CB-CD2 4.15Å; K162-Y167 HydrophobicContact CB-CE2 3.9Å; K162-Y167 HydrophobicContact CG-CD2 4.45Å; E165-Y167 HydrophobicContact CB-CE2 3.76Å; E165-Y167 WeakPolarHBondContact O-CD2 3.33Å; E165-Y167 WeakPolarHBondContact O-CE2 3.31Å; Y167-F176 HydrophobicContact CD1-CE2 4.18Å; Y167-F176 HydrophobicContact CD2-CE2 4.46Å; Y167-F176 HydrophobicContact CE1-CE2 4Å; Y167-F176 HydrophobicContact CE1-CZ 4.41Å; Y167-F176 HydrophobicContact CE2-CE2 4.31Å; Y167-F176 HydrophobicContact CG-CE2 4.39Å
168C88Confident81.1Confident15 Ų1568.5 Ų68.510%0.10137%0.374CS..EExtended strand (participates in β ladder)trans-74.3144.8170920000109.3C147 L154 V170 C171 Y172C147-C168 HydrophobicContact CB-CB 4.02Å; C147-C168 PolarHBondContact SG-N 3.39Å; C147-C168 VanDerWaalsContact SG-N 3.36Å; L154-C168 HydrophobicContact CD2-CB 3.53Å; C168-V170 PolarHBondContact O-N 3.42Å; C168-V170 VanDerWaalsContact O-N 3.09Å; C168-C171 HydrophobicContact CB-CB 4.14Å; C168-C171 WeakPolarHBondContact CB-SG 3.4Å; C168-C171 CarbonylContact O-C 3.59Å; C168-C171 WeakPolarHBondContact O-CA 3.27Å; C168-C171 WeakPolarHBondContact O-CB 3.16Å; C168-C171 PolarHBondContact O-N 3.03Å; C168-C171 WeakPolarHBondContact SG-CB 3.33Å; C168-C171 PolarHBondContact SG-N 3.45Å; C168-C171 CovalentContact SG-SG 2.08Å; C168-C171 PolarHBondContact SG-SG 2.89Å; C168-Y172 WeakPolarHBondContact O-CB 3.25Å; C168-Y172 PolarHBondContact O-N 2.9Å
169K84Confident80.8Confident115 Ų11571.9 Ų71.950%0.540%0.398SS..Hα-helixtrans-49-40.9178-74.7-179.2173.9174.30113.3N158 Y172 A173N158-K169 HydrophobicContact CB-CD 4.46Å; N158-K169 VanDerWaalsContact OD1-CE 3.3Å; N158-K169 WeakPolarHBondContact OD1-CE 3.27Å; N158-K169 PolarHBondContact OD1-NZ 2.79Å; K169-Y172 PolarHBondContact O-N 3.49Å; K169-A173 WeakPolarHBondContact O-CB 3.18Å; K169-A173 PolarHBondContact O-N 2.78Å
170V85.5Confident79.5Confident93 Ų9373.1 Ų73.156%0.56442%0.417SS*.Hα-helixtrans-63.9-44.5177.6177.10000111.5C168 K174C168-V170 PolarHBondContact O-N 3.42Å; C168-V170 VanDerWaalsContact O-N 3.09Å; V170-K174 HydrophobicContact CG1-CD 4.21Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.22Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.03Å
171C85.1Confident78.1Confident11 Ų1180.2 Ų80.27%0.07445%0.451CS..Hα-helixtrans-71.4-39.2-178.2-47.40000110.4C147 I149 C150 C168 K174 N175C147-C171 PolarHBondContact SG-SG 3.46Å; I149-C171 HydrophobicContact CB-CB 4.28Å; I149-C171 HydrophobicContact CD1-CB 4.01Å; C150-C171 PolarHBondContact SG-SG 3.05Å; C168-C171 HydrophobicContact CB-CB 4.14Å; C168-C171 WeakPolarHBondContact CB-SG 3.4Å; C168-C171 CarbonylContact O-C 3.59Å; C168-C171 WeakPolarHBondContact O-CA 3.27Å; C168-C171 WeakPolarHBondContact O-CB 3.16Å; C168-C171 PolarHBondContact O-N 3.03Å; C168-C171 WeakPolarHBondContact SG-CB 3.33Å; C168-C171 PolarHBondContact SG-N 3.45Å; C168-C171 CovalentContact SG-SG 2.08Å; C168-C171 PolarHBondContact SG-SG 2.89Å; C171-K174 PolarHBondContact O-N 2.92Å; C171-N175 WeakPolarHBondContact O-CB 3.48Å; C171-N175 PolarHBondContact O-N 3Å
172Y86.8Confident76.2Confident62 Ų6279.9 Ų79.924%0.24347%0.466CS..Hα-helixtrans-64.1-48.3176.4-176.8-106.1000111T160 K162 C168 K169 K174 N175 F176 G177T160-Y172 HydrophobicContact CG2-CD1 3.98Å; T160-Y172 HydrophobicContact CG2-CD2 3.95Å; T160-Y172 HydrophobicContact CG2-CE1 3.99Å; T160-Y172 HydrophobicContact CG2-CE2 4.04Å; T160-Y172 HydrophobicContact CG2-CG 3.94Å; K162-Y172 HydrophobicContact CD-CE2 3.48Å; K162-Y172 VanDerWaalsContact CD-CE2 3.48Å; K162-Y172 HydrophobicContact CG-CD2 3.9Å; K162-Y172 HydrophobicContact CG-CE2 3.32Å; K162-Y172 PolarHBondContact NZ-OH 3.37Å; C168-Y172 WeakPolarHBondContact O-CB 3.25Å; C168-Y172 PolarHBondContact O-N 2.9Å; K169-Y172 PolarHBondContact O-N 3.49Å; Y172-K174 PolarHBondContact O-N 3.09Å; Y172-N175 PolarHBondContact O-N 2.96Å; Y172-F176 HydrophobicContact CD2-CB 3.91Å; Y172-F176 AromaticContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CE2 4.46Å; Y172-F176 HydrophobicContact CD2-CG 4.09Å; Y172-F176 HydrophobicContact CE2-CB 3.59Å; Y172-F176 AromaticContact CE2-CD2 3.95Å; Y172-F176 HydrophobicContact CE2-CD2 3.95Å; Y172-F176 AromaticContact CE2-CG 3.97Å; Y172-F176 HydrophobicContact CE2-CG 3.97Å; Y172-F176 CarbonylContact O-C 3.45Å; Y172-F176 WeakPolarHBondContact O-CA 3.33Å; Y172-F176 WeakPolarHBondContact O-CB 3.3Å; Y172-F176 PolarHBondContact O-N 2.83Å; Y172-G177 PolarHBondContact O-N 2.88Å
173A84.8Confident74.7Confident61 Ų6187.4 Ų87.450%0.50450%0.5SS..Hα-helixtrans-63.4-38.6176.200000112.8K169 G177K169-A173 WeakPolarHBondContact O-CB 3.18Å; K169-A173 PolarHBondContact O-N 2.78Å; A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.22Å; A173-G177 PolarHBondContact O-N 3.2Å
174K83.4Confident73.4Confident174 Ų17484.4 Ų84.476%0.75750%0.503SS*.Hα-helixtrans-67.9-37.8178.5-76.6178.4179.5-167.20113.6V170 C171 Y172V170-K174 HydrophobicContact CG1-CD 4.21Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.22Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.03Å; C171-K174 PolarHBondContact O-N 2.92Å; Y172-K174 PolarHBondContact O-N 3.09Å
175N80.9Confident72Confident104 Ų10485.6 Ų85.656%0.55652%0.516SS*.Hα-helixtrans-102.9-23.7-171.6-159.688.5000113.7I149 C171 Y172I149-N175 HydrophobicContact CD1-CB 4.2Å; C171-N175 WeakPolarHBondContact O-CB 3.48Å; C171-N175 PolarHBondContact O-N 3Å; Y172-N175 PolarHBondContact O-N 2.96Å
176F81Confident70.4Confident72 Ų7288.5 Ų88.532%0.31653%0.534SS..Hα-helixtrans-134.95.3-174.3-51.7-81000113.2Y167 Y172Y167-F176 HydrophobicContact CD1-CE2 4.18Å; Y167-F176 HydrophobicContact CD2-CE2 4.46Å; Y167-F176 HydrophobicContact CE1-CE2 4Å; Y167-F176 HydrophobicContact CE1-CZ 4.41Å; Y167-F176 HydrophobicContact CE2-CE2 4.31Å; Y167-F176 HydrophobicContact CG-CE2 4.39Å; Y172-F176 HydrophobicContact CD2-CB 3.91Å; Y172-F176 AromaticContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CE2 4.46Å; Y172-F176 HydrophobicContact CD2-CG 4.09Å; Y172-F176 HydrophobicContact CE2-CB 3.59Å; Y172-F176 AromaticContact CE2-CD2 3.95Å; Y172-F176 HydrophobicContact CE2-CD2 3.95Å; Y172-F176 AromaticContact CE2-CG 3.97Å; Y172-F176 HydrophobicContact CE2-CG 3.97Å; Y172-F176 CarbonylContact O-C 3.45Å; Y172-F176 WeakPolarHBondContact O-CA 3.33Å; Y172-F176 WeakPolarHBondContact O-CB 3.3Å; Y172-F176 PolarHBondContact O-N 2.83Å
177G75.9Confident68.6Low19 Ų1994 Ų9420%0.19657%0.567CS.*SBendtrans-70159.417000000111Y172 A173 T179Y172-G177 PolarHBondContact O-N 2.88Å; A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.22Å; A173-G177 PolarHBondContact O-N 3.2Å; G177-T179 PolarHBondContact O-N 2.97Å
178P73.1Confident66.6Low131 Ų131101 Ų10185%0.85160%0.601SS**  trans-57.6111177.223.7-32.4000110G180P178-G180 PolarHBondContact O-N 2.74Å
179T63.4Low64.4Low144 Ų144108.6 Ų108.688%0.88363%0.634SS**  trans-8289.5174.348.60000109G177G177-T179 PolarHBondContact O-N 2.97Å
180G52.4Low62.9Low56 Ų56109.3 Ų109.358%0.57765%0.648SS**  trans154.2129172.300000110.1P178P178-G180 PolarHBondContact O-N 2.74Å
181I52.3Low61.2Low182 Ų182113.3 Ų113.393%0.93366%0.661SS**SBendcis-145.1137.517-79.1103.6000107.7
182G44.4Very low59.5Low72 Ų72122.7 Ų122.774%0.74270%0.7SS**  trans150.969.5172.200000113.7
183F46.6Very low58Low224 Ų224129.6 Ų129.698%0.98273%0.731SS**  trans-67.4131177.4-100.3-98.1000112.3
184G46.1Very low56.5Low84 Ų84139.1 Ų139.187%0.86677%0.765SS**  trans-16575.7162.200000110.6
185G45.6Very low55.1Low65 Ų65137.4 Ų137.467%0.6777%0.766SS**SBendtrans117.395.5157.900000118.8
186L46.8Very low53.8Low153 Ų153139.1 Ų139.180%0.80178%0.777SS**  trans47.9115.3140-82.584.6000123.7
187T48.7Very low52.3Low116 Ų116142.8 Ų142.871%0.71280%0.803SS**  56120127.669.60000120.8
188H43.3Very low50.9Low169 Ų169150.1 Ų150.178%0.78284%0.838SS**  -165.8114.496.4-145.9-90.3000109.4
189Q43Very low49.5Very low173 Ų173151.3 Ų151.381%0.80884%0.837SS**  trans-73.3129.7165.4-67.5176.8-10.400107.2
190V52.9Low48.6Very low131 Ų131151.8 Ų151.879%0.79483%0.834SS**  trans-105.4105.6163.4176.50000105.9
191E49.8Very low48.3Very low177 Ų177158.6 Ų158.683%0.82785%0.853SS**PPolyproline II helixtrans-58.7126.9174.9-124.9155.187.600110.2
192K49.1Very low48Very low208 Ų208156.8 Ų156.890%0.90485%0.847SS**PPolyproline II helixtrans-77.6123.1165.8-78.5-179.6175.3179.20107.7
193K54.8Low48.3Very low206 Ų206163.9 Ų163.990%0.89686%0.855SS**PPolyproline II helixtrans-100.9123.2170.2-152.1174.5-174177.90108.4
194E52.5Low48.4Very low261 Ų261158.5 Ų158.5100%1.2284%0.844SS**  trans-69.70170.4-60.3179.3119.400111.7

Retrieved 194 of 194 residues in 260.8 ms (Link to these results)