A0A096MLI5_PAPAN Loading...

Cysteine and glycine-rich protein 2

AlphaFold DB (A0A2K6PDS2), UniProt , Accession A0A096MLI5, Species PAPAN (Papio anubis, Olive baboon), Gene CSRP2, Length 243 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
1M50.1Low68.2Low223 Ų223108.5 Ų108.5100%1.09965%0.654SS**  0124.6056-163.9175.600108.7
2P52.5Low69.3Low110 Ų110104.8 Ų104.871%0.71464%0.643SS**  trans-75.3126.1-179.430.6-32.8000110.1W4P2-W4 PolarHBondContact O-N 3.32Å; P2-W4 VanDerWaalsContact O-N 3.14Å
3V53.2Low70.4Confident139 Ų13999.9 Ų99.984%0.84262%0.615SS**  trans-79.996178.7179.60000109.1
4W58Low71.2Confident242 Ų24296.9 Ų96.992%0.91761%0.614SS**  trans-84.5108.7170.8-7743.4000108.6P2P2-W4 PolarHBondContact O-N 3.32Å; P2-W4 VanDerWaalsContact O-N 3.14Å
5G55.8Low72.2Confident59 Ų59101.6 Ų101.661%0.60862%0.615SS**  trans-176.438.9-171.600000115.9G7G5-G7 PolarHBondContact O-N 2.98Å
6G69.3Low73Confident90 Ų9099.9 Ų99.993%0.92861%0.605SS**  trans-72.364.2170.400000112.2
7G74.1Confident73.8Confident40 Ų4094.2 Ų94.241%0.41257%0.571SS.*PPolyproline II helixtrans-76.8152.2176.800000112.4G5G5-G7 PolarHBondContact O-N 2.98Å
8N83Confident74.3Confident70 Ų7098.4 Ų98.437%0.37458%0.576SS.*PPolyproline II helixtrans-60.5143.2176.8-60.6-39.4000110.7T16 V17 E22 S29N8-T16 WeakPolarHBondContact O-CA 3.37Å; N8-V17 PolarHBondContact O-N 3.47Å; N8-E22 PolarHBondContact ND2-OE2 3.08Å; N8-S29 WeakPolarHBondContact CB-OG 3.44Å
9K86.6Confident74.4Confident163 Ų163101.2 Ų101.271%0.70958%0.582SS**BIsolated β-bridgetrans-94.7137.4179.660.1-179.4176.2-1800111.5G11 S29K9-G11 PolarHBondContact O-N 3.24Å; K9-S29 PolarHBondContact O-OG 3.13Å
10C86.7Confident74.8Confident3 Ų3101.1 Ų101.12%0.0260%0.595CS.*PPolyproline II helixtrans-66.1120.1178.7-175.10000111A12 C13 G14 R15 V17 S29 H31C10-A12 PolarHBondContact O-N 3.12Å; C10-A12 VanDerWaalsContact O-N 3.11Å; C10-C13 PolarHBondContact O-N 3.33Å; C10-G14 WeakPolarHBondContact O-CA 3.4Å; C10-G14 PolarHBondContact O-N 3.25Å; C10-R15 VanDerWaalsContact CB-O 3.26Å; C10-R15 WeakPolarHBondContact CB-O 3.25Å; C10-R15 PolarHBondContact N-O 3.38Å; C10-V17 HydrophobicContact CB-CG2 3.65Å; C10-S29 WeakPolarHBondContact CA-O 3.49Å; C10-H31 VanDerWaalsContact CB-CE1 3.44Å; C10-H31 WeakPolarHBondContact CB-CE1 3.24Å; C10-H31 WeakPolarHBondContact CB-ND1 3.39Å; C10-H31 PolarHBondContact SG-ND1 3.06Å
11G80.7Confident74.9Confident55 Ų55101.7 Ų101.757%0.56759%0.592SS**THydrogen-bonded Turntrans-59.9-22.117700000114.1K9 S29K9-G11 PolarHBondContact O-N 3.24Å; G11-S29 PolarHBondContact N-O 2.93Å
12A81.7Confident76.5Confident64 Ų6492.8 Ų92.853%0.52955%0.547SS..THydrogen-bonded Turntrans-101.1-23.9-177.100000115.1C10 F30 C34C10-A12 PolarHBondContact O-N 3.12Å; C10-A12 VanDerWaalsContact O-N 3.11Å; A12-F30 HydrophobicContact CB-CD1 3.89Å; A12-F30 HydrophobicContact CB-CE1 4.18Å; A12-C34 HydrophobicContact CB-CB 4.07Å
13C83.7Confident78.1Confident41 Ų4188.6 Ų88.628%0.27752%0.519SS..THydrogen-bonded Turntrans-133.65.1-179.682.30000115.7C10 R15 H31C10-C13 PolarHBondContact O-N 3.33Å; C13-R15 PolarHBondContact O-N 3.31Å; C13-R15 PolarHBondContact SG-NE 3.06Å; C13-H31 VanDerWaalsContact SG-CE1 3.53Å; C13-H31 PolarHBondContact SG-ND1 3.37Å; C13-H31 VanDerWaalsContact SG-ND1 3.43Å
14G82Confident79.7Confident58 Ų5888 Ų8860%0.59851%0.507SS*.  trans69.8-21.4175.700000116.3C10C10-G14 WeakPolarHBondContact O-CA 3.4Å; C10-G14 PolarHBondContact O-N 3.25Å
15R85.3Confident80.9Confident167 Ų16777 Ų7763%0.6347%0.468SS*.SBendtrans-67.8152.6178-67.8178-73.3-176.6-2.3111.6C10 C13C10-R15 VanDerWaalsContact CB-O 3.26Å; C10-R15 WeakPolarHBondContact CB-O 3.25Å; C10-R15 PolarHBondContact N-O 3.38Å; C13-R15 PolarHBondContact O-N 3.31Å; C13-R15 PolarHBondContact SG-NE 3.06Å
16T85.9Confident82Confident74 Ų7479.8 Ų79.845%0.45447%0.469SS..BIsolated β-bridgetrans-59.1143173.844.10000111.4N8 H31N8-T16 WeakPolarHBondContact O-CA 3.37Å; T16-H31 PolarHBondContact O-CE1 2.87Å; T16-H31 PolarHBondContact O-NE2 2.99Å
17V85.7Confident82.6Confident4 Ų480 Ų802%0.02447%0.47CS..  trans-111.7129.1174.4-1580000107.6N8 C10 E22N8-V17 PolarHBondContact O-N 3.47Å; C10-V17 HydrophobicContact CB-CG2 3.65Å; V17-E22 HydrophobicContact CB-CB 4.17Å; V17-E22 HydrophobicContact CG1-CB 3.42Å; V17-E22 VanDerWaalsContact CG1-CB 3.42Å
18Y82.4Confident83.1Confident169 Ų16982.4 Ų82.466%0.66347%0.467SS*.  trans-85.5144.7172.1-62.2-80.9000109.4A20 E21 E22Y18-A20 PolarHBondContact O-N 3.26Å; Y18-E21 PolarHBondContact O-N 3.28Å; Y18-E22 PolarHBondContact O-N 3.28Å; Y18-E22 VanDerWaalsContact O-N 3.15Å
19H77.8Confident83.3Confident151 Ų15179.5 Ų79.570%0.69945%0.452SS*.THydrogen-bonded Turntrans-53.5-24.4-178.4-71.1-60.9000114.8E21 E22H19-E21 VanDerWaalsContact C-N 3.33Å; H19-E21 PolarHBondContact O-N 2.85Å; H19-E22 IonicContact CE1-OE1 3.55Å; H19-E22 IonicContact CG-OE1 3.86Å; H19-E22 IonicContact ND1-OE1 2.76Å; H19-E22 PolarHBondContact ND1-OE1 3.2Å
20A81.3Confident83.3Confident100 Ų10072.3 Ų72.383%0.82642%0.421SS*.THydrogen-bonded Turntrans-71.3-22.8176.500000114.3Y18Y18-A20 PolarHBondContact O-N 3.26Å
21E77.1Confident83.3Confident114 Ų11473.1 Ų73.153%0.53342%0.424SS..THydrogen-bonded Turntrans-122.42.2-175.4-60.2-166.2147.600113.6Y18 H19 R32Y18-E21 PolarHBondContact O-N 3.28Å; H19-E21 VanDerWaalsContact C-N 3.33Å; H19-E21 PolarHBondContact O-N 2.85Å; E21-R32 PolarHBondContact O-N 2.93Å; E21-R32 VanDerWaalsContact O-N 3.09Å
22E84.5Confident83.4Confident35 Ų3579.6 Ų79.616%0.16443%0.432CS..EExtended strand (participates in β ladder)trans-77.6133.7179.982.7177.4168.100112.6N8 V17 Y18 H19 Q24 F30N8-E22 PolarHBondContact ND2-OE2 3.08Å; V17-E22 HydrophobicContact CB-CB 4.17Å; V17-E22 HydrophobicContact CG1-CB 3.42Å; V17-E22 VanDerWaalsContact CG1-CB 3.42Å; Y18-E22 PolarHBondContact O-N 3.28Å; Y18-E22 VanDerWaalsContact O-N 3.15Å; H19-E22 IonicContact CE1-OE1 3.55Å; H19-E22 IonicContact CG-OE1 3.86Å; H19-E22 IonicContact ND1-OE1 2.76Å; H19-E22 PolarHBondContact ND1-OE1 3.2Å; E22-Q24 HydrophobicContact CG-CG 4.21Å; E22-Q24 PolarHBondContact OE1-NE2 2.91Å; E22-F30 CarbonylContact C-O 3.54Å; E22-F30 WeakPolarHBondContact CA-O 3.47Å
23V86.3Confident83.5Confident22 Ų2280.7 Ų80.713%0.13344%0.435CS..EExtended strand (participates in β ladder)trans-108.7110.9165.4-178.70000105.9F30 R32 F35V23-F30 PolarHBondContact N-O 3.14Å; V23-F30 PolarHBondContact O-N 3.22Å; V23-R32 HydrophobicContact CG2-CB 4.05Å; V23-R32 HydrophobicContact CG2-CG 4.29Å; V23-F35 HydrophobicContact CB-CD2 4.47Å; V23-F35 HydrophobicContact CB-CG 4.34Å; V23-F35 HydrophobicContact CG1-CD1 3.95Å; V23-F35 HydrophobicContact CG1-CD2 4.01Å; V23-F35 HydrophobicContact CG1-CE1 4.03Å; V23-F35 HydrophobicContact CG1-CE2 4.1Å; V23-F35 HydrophobicContact CG1-CG 3.93Å; V23-F35 HydrophobicContact CG1-CZ 4.1Å
24Q86.1Confident83.4Confident126 Ų12680 Ų8059%0.58943%0.43SS*.EExtended strand (participates in β ladder)trans-84.3132.6176.3-65.1-176-8.900109.9E22 R28E22-Q24 HydrophobicContact CG-CG 4.21Å; E22-Q24 PolarHBondContact OE1-NE2 2.91Å; Q24-R28 WeakPolarHBondContact CA-O 3.46Å
25C82.3Confident83.6Confident13 Ų1377.3 Ų77.39%0.08840%0.402CS..EExtended strand (participates in β ladder)trans-150.1119.1-178.8-166.60000108.4G27 R28 F30 F35 I51C25-G27 PolarHBondContact O-N 2.81Å; C25-R28 PolarHBondContact N-O 3.16Å; C25-R28 PolarHBondContact O-N 3.4Å; C25-F30 HydrophobicContact CB-CD2 4.2Å; C25-F30 HydrophobicContact CB-CE2 4.12Å; C25-F35 HydrophobicContact CB-CE2 3.69Å; C25-F35 HydrophobicContact CB-CZ 4.22Å; C25-I51 VanDerWaalsContact SG-CD1 3.53Å
26D80Confident83.7Confident117 Ų11771.6 Ų71.663%0.62638%0.383SS*.THydrogen-bonded Turntrans49.552.3178.7-166.742.6000114R28 I51D26-R28 PolarHBondContact O-N 2.79Å; D26-R28 VanDerWaalsContact O-N 3.09Å; D26-I51 HydrophobicContact CB-CD1 3.26Å
27G81.8Confident83.7Confident93 Ų9368.1 Ų68.196%0.95936%0.362SS*.THydrogen-bonded Turntrans70.6-0.3-179.300000115.7C25C25-G27 PolarHBondContact O-N 2.81Å
28R83.6Confident83.6Confident92 Ų9273.5 Ų73.535%0.34739%0.388SS..EExtended strand (participates in β ladder)trans-110.7141.8179.6-58.3174.9-160.8-140-6.6111.2Q24 C25 D26 F30 E54Q24-R28 WeakPolarHBondContact CA-O 3.46Å; C25-R28 PolarHBondContact N-O 3.16Å; C25-R28 PolarHBondContact O-N 3.4Å; D26-R28 PolarHBondContact O-N 2.79Å; D26-R28 VanDerWaalsContact O-N 3.09Å; R28-F30 HydrophobicContact CB-CD2 4.45Å; R28-F30 HydrophobicContact CB-CE2 3.58Å; R28-F30 HydrophobicContact CB-CZ 3.89Å; R28-E54 IonicContact CZ-OE1 2.72Å; R28-E54 IonicContact CZ-OE2 3.45Å; R28-E54 IonicContact NH1-OE1 3.56Å; R28-E54 IonicContact NH1-OE2 3.51Å; R28-E54 PolarHBondContact NH1-OE2 3.03Å; R28-E54 IonicContact NH2-OE1 3.54Å; R28-E54 PolarHBondContact NH2-OE1 3Å; R28-E54 IonicContact NH2-OE2 3.99Å; R28-E54 PolarHBondContact NH2-OE2 3.24Å
29S87.3Confident83.7Confident9 Ų967.5 Ų67.56%0.06337%0.369CS..EExtended strand (participates in β ladder)trans-89.2140.3170.859.50000111.3N8 K9 C10 G11N8-S29 WeakPolarHBondContact CB-OG 3.44Å; K9-S29 PolarHBondContact O-OG 3.13Å; C10-S29 WeakPolarHBondContact CA-O 3.49Å; G11-S29 PolarHBondContact N-O 2.93Å
30F87.5Confident83.9Confident11 Ų1163.1 Ų63.15%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-132150.6170.6-59.9-90.4000109.9A12 E22 V23 C25 R28 F35 I56A12-F30 HydrophobicContact CB-CD1 3.89Å; A12-F30 HydrophobicContact CB-CE1 4.18Å; E22-F30 CarbonylContact C-O 3.54Å; E22-F30 WeakPolarHBondContact CA-O 3.47Å; V23-F30 PolarHBondContact N-O 3.14Å; V23-F30 PolarHBondContact O-N 3.22Å; C25-F30 HydrophobicContact CB-CD2 4.2Å; C25-F30 HydrophobicContact CB-CE2 4.12Å; R28-F30 HydrophobicContact CB-CD2 4.45Å; R28-F30 HydrophobicContact CB-CE2 3.58Å; R28-F30 HydrophobicContact CB-CZ 3.89Å; F30-F35 HydrophobicContact CB-CB 4.45Å; F30-F35 HydrophobicContact CB-CD2 4.09Å; F30-F35 HydrophobicContact CD2-CD2 4.18Å; F30-F35 HydrophobicContact CD2-CE2 4.44Å; F30-F35 HydrophobicContact CG-CD2 4.2Å; F30-I56 HydrophobicContact CD1-CD1 3.94Å; F30-I56 HydrophobicContact CD2-CD1 4.07Å; F30-I56 HydrophobicContact CE1-CD1 3.63Å; F30-I56 HydrophobicContact CE2-CD1 3.78Å; F30-I56 HydrophobicContact CG-CD1 4.15Å; F30-I56 HydrophobicContact CZ-CD1 3.56Å; F30-I56 HydrophobicContact CZ-CG1 4.49Å
31H85.6Confident84.1Confident20 Ų2067.2 Ų67.29%0.09335%0.349CS..EExtended strand (participates in β ladder)trans-67.4145.1166-57.293.3000109.9C10 C13 T16 C33 C34 F35C10-H31 VanDerWaalsContact CB-CE1 3.44Å; C10-H31 WeakPolarHBondContact CB-CE1 3.24Å; C10-H31 WeakPolarHBondContact CB-ND1 3.39Å; C10-H31 PolarHBondContact SG-ND1 3.06Å; C13-H31 VanDerWaalsContact SG-CE1 3.53Å; C13-H31 PolarHBondContact SG-ND1 3.37Å; C13-H31 VanDerWaalsContact SG-ND1 3.43Å; T16-H31 PolarHBondContact O-CE1 2.87Å; T16-H31 PolarHBondContact O-NE2 2.99Å; H31-C33 PolarHBondContact O-N 2.81Å; H31-C33 VanDerWaalsContact O-N 3.07Å; H31-C34 HydrophobicContact CB-CB 4.05Å; H31-C34 CarbonylContact O-C 3.6Å; H31-C34 WeakPolarHBondContact O-CA 3.46Å; H31-C34 PolarHBondContact O-N 3.13Å; H31-F35 PolarHBondContact O-N 3.21Å
32R84.2Confident84.4Confident192 Ų19269 Ų6973%0.72536%0.355SS*.THydrogen-bonded Turntrans-53.8-27.5173.2-168.1169178.7157.1-1.3114.5E21 V23 N43E21-R32 PolarHBondContact O-N 2.93Å; E21-R32 VanDerWaalsContact O-N 3.09Å; V23-R32 HydrophobicContact CG2-CB 4.05Å; V23-R32 HydrophobicContact CG2-CG 4.29Å; R32-N43 PolarHBondContact O-ND2 3.27Å
33C82.3Confident84.3Confident87 Ų8771.7 Ų71.759%0.58837%0.371SS*.THydrogen-bonded Turntrans-84.7-22.9173.260.70000114.3H31H31-C33 PolarHBondContact O-N 2.81Å; H31-C33 VanDerWaalsContact O-N 3.07Å
34C82.4Confident84.1Confident27 Ų2771.7 Ų71.718%0.18237%0.37CS..THydrogen-bonded Turntrans-90.7-12.6176.9-65.70000113.1A12 H31 L36A12-C34 HydrophobicContact CB-CB 4.07Å; H31-C34 HydrophobicContact CB-CB 4.05Å; H31-C34 CarbonylContact O-C 3.6Å; H31-C34 WeakPolarHBondContact O-CA 3.46Å; H31-C34 PolarHBondContact O-N 3.13Å; C34-L36 PolarHBondContact O-N 3.02Å
35F86.6Confident83.7Confident1 Ų171 Ų710%0.00437%0.37CS..  trans-76.970.8177.1-162.1-109.9000111.2V23 C25 F30 H31 L44 V49 I56V23-F35 HydrophobicContact CB-CD2 4.47Å; V23-F35 HydrophobicContact CB-CG 4.34Å; V23-F35 HydrophobicContact CG1-CD1 3.95Å; V23-F35 HydrophobicContact CG1-CD2 4.01Å; V23-F35 HydrophobicContact CG1-CE1 4.03Å; V23-F35 HydrophobicContact CG1-CE2 4.1Å; V23-F35 HydrophobicContact CG1-CG 3.93Å; V23-F35 HydrophobicContact CG1-CZ 4.1Å; C25-F35 HydrophobicContact CB-CE2 3.69Å; C25-F35 HydrophobicContact CB-CZ 4.22Å; F30-F35 HydrophobicContact CB-CB 4.45Å; F30-F35 HydrophobicContact CB-CD2 4.09Å; F30-F35 HydrophobicContact CD2-CD2 4.18Å; F30-F35 HydrophobicContact CD2-CE2 4.44Å; F30-F35 HydrophobicContact CG-CD2 4.2Å; H31-F35 PolarHBondContact O-N 3.21Å; F35-L44 HydrophobicContact CD1-CB 3.62Å; F35-L44 WeakPolarHBondContact CD1-O 3.43Å; F35-L44 HydrophobicContact CE1-CB 3.48Å; F35-L44 VanDerWaalsContact CE1-CB 3.48Å; F35-L44 HydrophobicContact CZ-CB 4.44Å; F35-L44 PolarHBondContact O-N 3.25Å; F35-V49 HydrophobicContact CE1-CB 4.38Å; F35-V49 HydrophobicContact CE2-CG2 4.39Å; F35-V49 HydrophobicContact CZ-CB 3.85Å; F35-V49 HydrophobicContact CZ-CG1 4.09Å; F35-V49 HydrophobicContact CZ-CG2 3.78Å; F35-I56 HydrophobicContact CD2-CD1 3.78Å; F35-I56 HydrophobicContact CE2-CD1 3.78Å; F35-I56 HydrophobicContact CE2-CG1 4.47Å; F35-I56 HydrophobicContact CE2-CG2 4.33Å
36L86.2Confident83.2Confident47 Ų4774.3 Ų74.325%0.24639%0.393CS..BIsolated β-bridgetrans-114.3146-176.7-54.8-178.9000110.5C34 M38 K42 N43C34-L36 PolarHBondContact O-N 3.02Å; L36-M38 PolarHBondContact O-N 3.22Å; L36-K42 WeakPolarHBondContact CA-O 3.49Å; L36-N43 HydrophobicContact CD2-CB 4.18Å; L36-N43 VanDerWaalsContact CD2-CG 3.48Å; L36-N43 WeakPolarHBondContact CD2-ND2 3.19Å
37C86.4Confident82.8Confident0 Ų075 Ų750%040%0.402CS..  trans-67.9129168.1176.70000111.1V39 C40 R41 K42 L44 I56 C58 C61C37-V39 VanDerWaalsContact C-N 3.27Å; C37-V39 PolarHBondContact O-N 2.77Å; C37-V39 PolarHBondContact SG-N 3.02Å; C37-C40 VanDerWaalsContact CB-SG 3.51Å; C37-R41 WeakPolarHBondContact O-CA 3.41Å; C37-R41 PolarHBondContact O-N 2.89Å; C37-K42 PolarHBondContact N-O 2.04Å; C37-L44 HydrophobicContact CB-CD1 3.92Å; C37-L44 HydrophobicContact CB-CG 4.32Å; C37-I56 WeakPolarHBondContact CA-O 3.25Å; C37-C58 HydrophobicContact CB-CB 4.08Å; C37-C58 PolarHBondContact SG-N 2.67Å; C37-C61 PolarHBondContact SG-SG 3.42Å
38M84.1Confident82.3Confident117 Ų11774.1 Ų74.158%0.57638%0.378SS*.THydrogen-bonded Turntrans-57-37.5176.7-99.2-60.4-15600113.5L36 I56L36-M38 PolarHBondContact O-N 3.22Å; M38-I56 PolarHBondContact N-O 3.19Å
39V84.1Confident82.3Confident44 Ų4471.5 Ų71.527%0.26737%0.372SS..THydrogen-bonded Turntrans-80.5-45.6-174.2-179.80000113.2C37 Y57 C61 L88C37-V39 VanDerWaalsContact C-N 3.27Å; C37-V39 PolarHBondContact O-N 2.77Å; C37-V39 PolarHBondContact SG-N 3.02Å; V39-Y57 HydrophobicContact CG2-CD1 3.69Å; V39-Y57 HydrophobicContact CG2-CE1 3.45Å; V39-Y57 VanDerWaalsContact CG2-CE1 3.45Å; V39-C61 HydrophobicContact CB-CB 4.2Å; V39-C61 HydrophobicContact CG2-CB 4.45Å; V39-L88 HydrophobicContact CG1-CD1 3.88Å; V39-L88 HydrophobicContact CG1-CD2 4.32Å
40C83.2Confident82.2Confident59 Ų5972.1 Ų72.140%0.39938%0.378SS..THydrogen-bonded Turntrans-111.4-1-172.171.70000114C37 K42 C61C37-C40 VanDerWaalsContact CB-SG 3.51Å; C40-K42 PolarHBondContact O-N 3.02Å; C40-C61 PolarHBondContact SG-SG 2.92Å
41R83.9Confident82Confident186 Ų18674.1 Ų74.170%0.70239%0.388SS*.  trans54.110178.3-66.8-81.1-72.9-112.7-7.3115.5C37C37-R41 WeakPolarHBondContact O-CA 3.41Å; C37-R41 PolarHBondContact O-N 2.89Å
42K83.3Confident81.8Confident150 Ų15075.6 Ų75.665%0.65240%0.395SS*.  trans-72.2139174.2-165.6-172.6-69.9-166.20109.5L36 C37 C40L36-K42 WeakPolarHBondContact CA-O 3.49Å; C37-K42 PolarHBondContact N-O 2.04Å; C40-K42 PolarHBondContact O-N 3.02Å
43N84Confident81.4Confident93 Ų9372.5 Ų72.550%0.49739%0.393SS..BIsolated β-bridgetrans-54.5137.9164.5-65.881.6000110.2R32 L36R32-N43 PolarHBondContact O-ND2 3.27Å; L36-N43 HydrophobicContact CD2-CB 4.18Å; L36-N43 VanDerWaalsContact CD2-CG 3.48Å; L36-N43 WeakPolarHBondContact CD2-ND2 3.19Å
44L82.3Confident80.9Confident21 Ų2174.4 Ų74.411%0.1139%0.393CS..  trans-105.6159.7174.6-71.1164.8000109.8F35 C37 V49 I56 C58F35-L44 HydrophobicContact CD1-CB 3.62Å; F35-L44 WeakPolarHBondContact CD1-O 3.43Å; F35-L44 HydrophobicContact CE1-CB 3.48Å; F35-L44 VanDerWaalsContact CE1-CB 3.48Å; F35-L44 HydrophobicContact CZ-CB 4.44Å; F35-L44 PolarHBondContact O-N 3.25Å; C37-L44 HydrophobicContact CB-CD1 3.92Å; C37-L44 HydrophobicContact CB-CG 4.32Å; L44-V49 HydrophobicContact CD1-CG2 4.28Å; L44-I56 HydrophobicContact CD1-CG2 3.4Å; L44-C58 HydrophobicContact CD2-CB 3.62Å
45D77.5Confident80.8Confident113 Ų11376.8 Ų76.860%0.60440%0.402SS*.  trans-108.7144.3170.1-51.8-65.5000107.8T47 T48D45-T47 PolarHBondContact O-N 3.28Å; D45-T48 PolarHBondContact O-N 3.13Å; D45-T48 VanDerWaalsContact O-N 3.11Å
46S71.4Confident80.7Confident82 Ų8277.4 Ų77.457%0.57341%0.405SS*.THydrogen-bonded Turntrans-54.6-22.4-174.838.30000114.2
47T71.2Confident80.7Confident130 Ų13075.2 Ų75.280%0.79839%0.394SS*.THydrogen-bonded Turntrans-81.3-15.5-178-33.50000115D45D45-T47 PolarHBondContact O-N 3.28Å
48T70.8Confident80.8Confident76 Ų7676.2 Ų76.247%0.46640%0.4SS..SBendtrans-134.819.3-170.165.40000115.8D45D45-T48 PolarHBondContact O-N 3.13Å; D45-T48 VanDerWaalsContact O-N 3.11Å
49V83.9Confident80.8Confident37 Ų3778.4 Ų78.422%0.22441%0.406CS..EExtended strand (participates in β ladder)trans-76.3149.4175.564.40000112.2F35 L44 I51 I56F35-V49 HydrophobicContact CE1-CB 4.38Å; F35-V49 HydrophobicContact CE2-CG2 4.39Å; F35-V49 HydrophobicContact CZ-CB 3.85Å; F35-V49 HydrophobicContact CZ-CG1 4.09Å; F35-V49 HydrophobicContact CZ-CG2 3.78Å; L44-V49 HydrophobicContact CD1-CG2 4.28Å; V49-I51 HydrophobicContact CG2-CG1 4.4Å; V49-I56 HydrophobicContact CG2-CG2 3.81Å
50A85.6Confident80.8Confident22 Ų2279.8 Ų79.818%0.18242%0.418CS..EExtended strand (participates in β ladder)trans-125.9141.6162.900000108.5Y57 Y62A50-Y57 PolarHBondContact N-O 2.93Å; A50-Y57 WeakPolarHBondContact O-CA 3.43Å; A50-Y57 WeakPolarHBondContact O-CB 3.1Å; A50-Y57 PolarHBondContact O-N 3.1Å; A50-Y57 VanDerWaalsContact O-O 3.09Å; A50-Y62 HydrophobicContact CB-CD1 4.37Å; A50-Y62 HydrophobicContact CB-CD2 3.62Å; A50-Y62 HydrophobicContact CB-CE2 4.28Å; A50-Y62 HydrophobicContact CB-CG 3.68Å
51I82.6Confident80.8Confident52 Ų5277.5 Ų77.527%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-114.7141179.2-55.8171.5000108.1C25 D26 V49 E55C25-I51 VanDerWaalsContact SG-CD1 3.53Å; D26-I51 HydrophobicContact CB-CD1 3.26Å; V49-I51 HydrophobicContact CG2-CG1 4.4Å; I51-E55 WeakPolarHBondContact CA-O 3.34Å
52H81.3Confident80.9Confident52 Ų5272.6 Ų72.624%0.24139%0.385CS..EExtended strand (participates in β ladder)trans-142.2128.8172-160.7-75.2000107.4E54 E55 Y57 Y62 Y66H52-E54 VanDerWaalsContact C-N 3.29Å; H52-E54 PolarHBondContact O-N 3.03Å; H52-E55 PolarHBondContact N-O 2.9Å; H52-E55 VanDerWaalsContact N-O 3.1Å; H52-E55 WeakPolarHBondContact O-CB 3.44Å; H52-E55 PolarHBondContact O-N 3.34Å; H52-Y57 HydrophobicContact CB-CD2 4.1Å; H52-Y57 HydrophobicContact CB-CE2 3.98Å; H52-Y62 HydrophobicContact CB-CD2 4.45Å; H52-Y62 HydrophobicContact CB-CE2 4.03Å; H52-Y62 AromaticContact CD2-CE2 3.79Å; H52-Y66 HydrophobicContact CB-CD2 4.31Å; H52-Y66 HydrophobicContact CB-CE2 3.77Å; H52-Y66 AromaticContact CD2-CD1 3.72Å; H52-Y66 AromaticContact CD2-CD2 3.8Å; H52-Y66 AromaticContact CD2-CE1 3.82Å; H52-Y66 AromaticContact CD2-CE2 3.92Å; H52-Y66 AromaticContact CD2-CG 3.71Å; H52-Y66 AromaticContact CD2-CZ 3.92Å; H52-Y66 AromaticContact CE1-CD1 3.85Å; H52-Y66 AromaticContact CE1-CE1 3.5Å; H52-Y66 VanDerWaalsContact CE1-CE1 3.5Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.34Å; H52-Y66 AromaticContact CE1-CZ 3.98Å; H52-Y66 AromaticContact CG-CE1 3.83Å; H52-Y66 AromaticContact CG-CE2 3.7Å; H52-Y66 AromaticContact CG-CZ 3.56Å; H52-Y66 AromaticContact ND1-CE1 3.6Å; H52-Y66 AromaticContact ND1-CZ 3.59Å; H52-Y66 AromaticContact NE2-CD1 3.47Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.4Å; H52-Y66 AromaticContact NE2-CE1 3.61Å; H52-Y66 AromaticContact NE2-CG 3.9Å
53D75.4Confident80.9Confident126 Ų12666.3 Ų66.367%0.67436%0.362SS*.THydrogen-bonded Turntrans44.250.8-179.2-49.9-40.6000113.7E55D53-E55 PolarHBondContact O-N 2.88Å
54E73.6Confident80.7Confident127 Ų12767.6 Ų67.659%0.59336%0.364SS*.THydrogen-bonded Turntrans66.9-4.8-177.7-41.7-161.5149.300116.7R28 H52R28-E54 IonicContact CZ-OE1 2.72Å; R28-E54 IonicContact CZ-OE2 3.45Å; R28-E54 IonicContact NH1-OE1 3.56Å; R28-E54 IonicContact NH1-OE2 3.51Å; R28-E54 PolarHBondContact NH1-OE2 3.03Å; R28-E54 IonicContact NH2-OE1 3.54Å; R28-E54 PolarHBondContact NH2-OE1 3Å; R28-E54 IonicContact NH2-OE2 3.99Å; R28-E54 PolarHBondContact NH2-OE2 3.24Å; H52-E54 VanDerWaalsContact C-N 3.29Å; H52-E54 PolarHBondContact O-N 3.03Å
55E79.7Confident80.7Confident78 Ų7869 Ų6936%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-91.3145.2178.1-67.5-168138.700113.2I51 H52 D53 Y57I51-E55 WeakPolarHBondContact CA-O 3.34Å; H52-E55 PolarHBondContact N-O 2.9Å; H52-E55 VanDerWaalsContact N-O 3.1Å; H52-E55 WeakPolarHBondContact O-CB 3.44Å; H52-E55 PolarHBondContact O-N 3.34Å; D53-E55 PolarHBondContact O-N 2.88Å; E55-Y57 HydrophobicContact CB-CD2 4.29Å; E55-Y57 HydrophobicContact CB-CE2 3.57Å; E55-Y57 WeakPolarHBondContact O-CD2 3.44Å; E55-Y57 PolarHBondContact OE2-OH 2.85Å
56I84.6Confident80.9Confident13 Ų1367.6 Ų67.67%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-93.9124.8-176.1-69.7167.1000111.4F30 F35 C37 M38 L44 V49F30-I56 HydrophobicContact CD1-CD1 3.94Å; F30-I56 HydrophobicContact CD2-CD1 4.07Å; F30-I56 HydrophobicContact CE1-CD1 3.63Å; F30-I56 HydrophobicContact CE2-CD1 3.78Å; F30-I56 HydrophobicContact CG-CD1 4.15Å; F30-I56 HydrophobicContact CZ-CD1 3.56Å; F30-I56 HydrophobicContact CZ-CG1 4.49Å; F35-I56 HydrophobicContact CD2-CD1 3.78Å; F35-I56 HydrophobicContact CE2-CD1 3.78Å; F35-I56 HydrophobicContact CE2-CG1 4.47Å; F35-I56 HydrophobicContact CE2-CG2 4.33Å; C37-I56 WeakPolarHBondContact CA-O 3.25Å; M38-I56 PolarHBondContact N-O 3.19Å; L44-I56 HydrophobicContact CD1-CG2 3.4Å; V49-I56 HydrophobicContact CG2-CG2 3.81Å
57Y86.7Confident81.3Confident2 Ų264.1 Ų64.11%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-125.9148.2-178.1-68.7-87000113.2V39 A50 H52 E55 K65 Y66V39-Y57 HydrophobicContact CG2-CD1 3.69Å; V39-Y57 HydrophobicContact CG2-CE1 3.45Å; V39-Y57 VanDerWaalsContact CG2-CE1 3.45Å; A50-Y57 PolarHBondContact N-O 2.93Å; A50-Y57 WeakPolarHBondContact O-CA 3.43Å; A50-Y57 WeakPolarHBondContact O-CB 3.1Å; A50-Y57 PolarHBondContact O-N 3.1Å; A50-Y57 VanDerWaalsContact O-O 3.09Å; H52-Y57 HydrophobicContact CB-CD2 4.1Å; H52-Y57 HydrophobicContact CB-CE2 3.98Å; E55-Y57 HydrophobicContact CB-CD2 4.29Å; E55-Y57 HydrophobicContact CB-CE2 3.57Å; E55-Y57 WeakPolarHBondContact O-CD2 3.44Å; E55-Y57 PolarHBondContact OE2-OH 2.85Å; Y57-K65 HydrophobicContact CE1-CD 4.26Å; Y57-K65 HydrophobicContact CE1-CG 4.45Å; Y57-Y66 HydrophobicContact CD2-CE2 4.41Å; Y57-Y66 HydrophobicContact CE1-CE2 4.36Å; Y57-Y66 HydrophobicContact CE2-CE2 4.08Å; Y57-Y66 PolarHBondContact OH-OH 3.11Å
58C87.1Confident81.4Confident20 Ų2061.8 Ų61.814%0.13532%0.32CS..EExtended strand (participates in β ladder)trans-75144.4167.194.80000110.6C37 L44 S60 C61 Y62C37-C58 HydrophobicContact CB-CB 4.08Å; C37-C58 PolarHBondContact SG-N 2.67Å; L44-C58 HydrophobicContact CD2-CB 3.62Å; C58-S60 PolarHBondContact O-N 3.48Å; C58-S60 VanDerWaalsContact O-N 3.11Å; C58-C61 HydrophobicContact CB-CB 4.03Å; C58-C61 WeakPolarHBondContact CB-SG 3.23Å; C58-C61 CarbonylContact O-C 3.59Å; C58-C61 WeakPolarHBondContact O-CA 3.4Å; C58-C61 VanDerWaalsContact O-CB 3.25Å; C58-C61 WeakPolarHBondContact O-CB 3.18Å; C58-C61 PolarHBondContact O-N 2.97Å; C58-C61 WeakPolarHBondContact SG-CB 3.48Å; C58-C61 PolarHBondContact SG-N 2.93Å; C58-C61 CovalentContact SG-SG 2.06Å; C58-C61 PolarHBondContact SG-SG 3.47Å; C58-Y62 PolarHBondContact O-N 2.93Å
59K84.3Confident81.3Confident164 Ų16463.2 Ų63.271%0.71332%0.32SS*.Hα-helixtrans-50.2-40.3178.6-174.3171.8-177.1170.80114.1G63K59-G63 PolarHBondContact O-N 3.18Å; K59-G63 VanDerWaalsContact O-N 3.09Å
60S83.8Confident80.2Confident73 Ų7364.2 Ų64.251%0.5134%0.337SS..Hα-helixtrans-68.1-33.2175.1-176.10000113.1C58 K64C58-S60 PolarHBondContact O-N 3.48Å; C58-S60 VanDerWaalsContact O-N 3.11Å; S60-K64 WeakPolarHBondContact O-CB 3.49Å; S60-K64 WeakPolarHBondContact O-CD 3.45Å; S60-K64 WeakPolarHBondContact O-CG 3.36Å; S60-K64 PolarHBondContact O-N 3.31Å
61C83.6Confident78.9Confident11 Ų1172.4 Ų72.47%0.07437%0.365CS..Hα-helixtrans-76-44.5-179.3-50.80000110.5C37 V39 C40 C58 K64 K65C37-C61 PolarHBondContact SG-SG 3.42Å; V39-C61 HydrophobicContact CB-CB 4.2Å; V39-C61 HydrophobicContact CG2-CB 4.45Å; C40-C61 PolarHBondContact SG-SG 2.92Å; C58-C61 HydrophobicContact CB-CB 4.03Å; C58-C61 WeakPolarHBondContact CB-SG 3.23Å; C58-C61 CarbonylContact O-C 3.59Å; C58-C61 WeakPolarHBondContact O-CA 3.4Å; C58-C61 VanDerWaalsContact O-CB 3.25Å; C58-C61 WeakPolarHBondContact O-CB 3.18Å; C58-C61 PolarHBondContact O-N 2.97Å; C58-C61 WeakPolarHBondContact SG-CB 3.48Å; C58-C61 PolarHBondContact SG-N 2.93Å; C58-C61 CovalentContact SG-SG 2.06Å; C58-C61 PolarHBondContact SG-SG 3.47Å; C61-K64 CarbonylContact O-C 3.55Å; C61-K64 PolarHBondContact O-N 3.08Å; C61-K65 PolarHBondContact O-N 2.87Å
62Y85.9Confident77.4Confident82 Ų8270.6 Ų70.632%0.32236%0.359SS..Hα-helixtrans-58.9-51.9174.3-176.9-85.3000110.9A50 H52 C58 K64 K65 Y66A50-Y62 HydrophobicContact CB-CD1 4.37Å; A50-Y62 HydrophobicContact CB-CD2 3.62Å; A50-Y62 HydrophobicContact CB-CE2 4.28Å; A50-Y62 HydrophobicContact CB-CG 3.68Å; H52-Y62 HydrophobicContact CB-CD2 4.45Å; H52-Y62 HydrophobicContact CB-CE2 4.03Å; H52-Y62 AromaticContact CD2-CE2 3.79Å; C58-Y62 PolarHBondContact O-N 2.93Å; Y62-K64 PolarHBondContact O-N 3.48Å; Y62-K65 PolarHBondContact O-N 3.43Å; Y62-Y66 AromaticContact CD2-CD2 3.74Å; Y62-Y66 HydrophobicContact CD2-CD2 3.74Å; Y62-Y66 HydrophobicContact CD2-CE2 4.35Å; Y62-Y66 AromaticContact CE2-CD2 3.87Å; Y62-Y66 HydrophobicContact CE2-CD2 3.87Å; Y62-Y66 HydrophobicContact CE2-CG 4.45Å; Y62-Y66 HydrophobicContact CG-CD2 4.24Å; Y62-Y66 PolarHBondContact O-N 3.33Å
63G83.6Confident76.1Confident18 Ų1875.3 Ų75.319%0.18638%0.376CS..Hα-helixtrans-59.8-32.5175.800000113.5K59 G67K59-G63 PolarHBondContact O-N 3.18Å; K59-G63 VanDerWaalsContact O-N 3.09Å; G63-G67 VanDerWaalsContact O-CA 3.27Å; G63-G67 WeakPolarHBondContact O-CA 3.22Å; G63-G67 PolarHBondContact O-N 3.45Å; G63-G67 VanDerWaalsContact O-N 3.16Å
64K80.9Confident75Confident121 Ų12171.2 Ų71.253%0.52636%0.363SS..Hα-helixtrans-74.9-29.7173.6-75.3171.2-175.6-1770114S60 C61 Y62 K69S60-K64 WeakPolarHBondContact O-CB 3.49Å; S60-K64 WeakPolarHBondContact O-CD 3.45Å; S60-K64 WeakPolarHBondContact O-CG 3.36Å; S60-K64 PolarHBondContact O-N 3.31Å; C61-K64 CarbonylContact O-C 3.55Å; C61-K64 PolarHBondContact O-N 3.08Å; Y62-K64 PolarHBondContact O-N 3.48Å; K64-K69 PolarHBondContact O-NZ 3.11Å
65K80.4Confident74Confident51 Ų5175.1 Ų75.122%0.22238%0.381CS..Hα-helixtrans-82-62.6176.6-82.9-116.9-175.2164.60111.1Y57 C61 Y62 K69 I90Y57-K65 HydrophobicContact CE1-CD 4.26Å; Y57-K65 HydrophobicContact CE1-CG 4.45Å; C61-K65 PolarHBondContact O-N 2.87Å; Y62-K65 PolarHBondContact O-N 3.43Å; K65-K69 VanDerWaalsContact O-CE 3.25Å; K65-K69 WeakPolarHBondContact O-CE 3.21Å; K65-I90 HydrophobicContact CB-CD1 4.43Å; K65-I90 HydrophobicContact CD-CD1 3.81Å; K65-I90 HydrophobicContact CD-CG1 4.07Å; K65-I90 HydrophobicContact CD-CG2 4.28Å; K65-I90 HydrophobicContact CG-CD1 3.69Å; K65-I90 HydrophobicContact CG-CG1 4.49Å
66Y82.9Confident72.9Confident82 Ų8274.2 Ų74.232%0.32239%0.393SS..Hα-helixtrans-107.2-6.6-165.1-52.5-74.7000114H52 Y57 Y62H52-Y66 HydrophobicContact CB-CD2 4.31Å; H52-Y66 HydrophobicContact CB-CE2 3.77Å; H52-Y66 AromaticContact CD2-CD1 3.72Å; H52-Y66 AromaticContact CD2-CD2 3.8Å; H52-Y66 AromaticContact CD2-CE1 3.82Å; H52-Y66 AromaticContact CD2-CE2 3.92Å; H52-Y66 AromaticContact CD2-CG 3.71Å; H52-Y66 AromaticContact CD2-CZ 3.92Å; H52-Y66 AromaticContact CE1-CD1 3.85Å; H52-Y66 AromaticContact CE1-CE1 3.5Å; H52-Y66 VanDerWaalsContact CE1-CE1 3.5Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.34Å; H52-Y66 AromaticContact CE1-CZ 3.98Å; H52-Y66 AromaticContact CG-CE1 3.83Å; H52-Y66 AromaticContact CG-CE2 3.7Å; H52-Y66 AromaticContact CG-CZ 3.56Å; H52-Y66 AromaticContact ND1-CE1 3.6Å; H52-Y66 AromaticContact ND1-CZ 3.59Å; H52-Y66 AromaticContact NE2-CD1 3.47Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.4Å; H52-Y66 AromaticContact NE2-CE1 3.61Å; H52-Y66 AromaticContact NE2-CG 3.9Å; Y57-Y66 HydrophobicContact CD2-CE2 4.41Å; Y57-Y66 HydrophobicContact CE1-CE2 4.36Å; Y57-Y66 HydrophobicContact CE2-CE2 4.08Å; Y57-Y66 PolarHBondContact OH-OH 3.11Å; Y62-Y66 AromaticContact CD2-CD2 3.74Å; Y62-Y66 HydrophobicContact CD2-CD2 3.74Å; Y62-Y66 HydrophobicContact CD2-CE2 4.35Å; Y62-Y66 AromaticContact CE2-CD2 3.87Å; Y62-Y66 HydrophobicContact CE2-CD2 3.87Å; Y62-Y66 HydrophobicContact CE2-CG 4.45Å; Y62-Y66 HydrophobicContact CG-CD2 4.24Å; Y62-Y66 PolarHBondContact O-N 3.33Å
67G79.3Confident71Confident9 Ų979.4 Ų79.49%0.09344%0.438CS..SBendtrans-68.6152.4174.600000112.5G63 K69G63-G67 VanDerWaalsContact O-CA 3.27Å; G63-G67 WeakPolarHBondContact O-CA 3.22Å; G63-G67 PolarHBondContact O-N 3.45Å; G63-G67 VanDerWaalsContact O-N 3.16Å; G67-K69 PolarHBondContact O-N 2.94Å
68P74.6Confident69.3Low82 Ų8281.8 Ų81.853%0.53246%0.463SS..  trans-50110.9178.218.1-33.4000112.6G70 Y73P68-G70 PolarHBondContact O-N 2.87Å; P68-Y73 VanDerWaalsContact CD-OH 3.31Å; P68-Y73 WeakPolarHBondContact CD-OH 3.35Å; P68-Y73 HydrophobicContact CG-CE2 3.99Å
69K68Low67.4Low105 Ų10587.3 Ų87.346%0.45750%0.496SS..THydrogen-bonded Turntrans-73.8107.9-179.9-61.1-69.1-175.31620109.8K64 K65 G67 R84K64-K69 PolarHBondContact O-NZ 3.11Å; K65-K69 VanDerWaalsContact O-CE 3.25Å; K65-K69 WeakPolarHBondContact O-CE 3.21Å; G67-K69 PolarHBondContact O-N 2.94Å; K69-R84 PolarHBondContact NZ-O 2.89Å
70G60.8Low65.6Low58 Ų5885.2 Ų85.260%0.59849%0.493SS*.THydrogen-bonded Turntrans127.9-13.7177.500000114.6P68P68-G70 PolarHBondContact O-N 2.87Å
71Y57.7Low64.3Low195 Ų19586.5 Ų86.577%0.76549%0.494SS*.SBendtrans-101.5107.3164.8-154.9-93.5000108.1Y73Y71-Y73 PolarHBondContact O-N 2.96Å
72G51.7Low62.8Low13 Ų1391.6 Ų91.613%0.13452%0.518CS..  trans-65.9117.9-16800000112.7G74G72-G74 PolarHBondContact O-N 3.36Å
73Y53.3Low61.3Low152 Ų15292.5 Ų92.560%0.59653%0.528SS*.  trans-74.371.3177.8-84.8-83.9000111.9P68 Y71 Q75P68-Y73 VanDerWaalsContact CD-OH 3.31Å; P68-Y73 WeakPolarHBondContact CD-OH 3.35Å; P68-Y73 HydrophobicContact CG-CE2 3.99Å; Y71-Y73 PolarHBondContact O-N 2.96Å; Y73-Q75 PolarHBondContact O-N 3.38Å
74G51.7Low59.9Low40 Ų4099 Ų9941%0.41255%0.547SS..  trans-75115.7168.500000111.2G72 G76G72-G74 PolarHBondContact O-N 3.36Å; G74-G76 PolarHBondContact O-N 3.19Å
75Q53.4Low58.7Low208 Ų20893.8 Ų93.897%0.97253%0.528SS*.SBendtrans-79.391.4158.7-78.5-152.4-25.100109Y73Y73-Q75 PolarHBondContact O-N 3.38Å
76G56.3Low57.5Low59 Ų5997.9 Ų97.961%0.60855%0.548SS*.SBendtrans100.3169.2175.700000114.7G74 G78G74-G76 PolarHBondContact O-N 3.19Å; G76-G78 PolarHBondContact O-N 3.19Å
77A45.4Very low56.3Low122 Ų122105 Ų105100%1.00857%0.574SS**SBendtrans-75.284.5-174.700000112
78G50.4Low55.2Low53 Ų53108.9 Ų108.955%0.54659%0.592SS.*SBendtrans-179.7106.6173.200000111.9G76G76-G78 PolarHBondContact O-N 3.19Å
79T46.3Very low54Low135 Ų135108.1 Ų108.183%0.82860%0.599SS**  trans42.8103.9169.758.10000116.5N81T79-N81 PolarHBondContact O-N 3.02Å; T79-N81 VanDerWaalsContact O-N 3.13Å
80L47.4Very low53.3Low121 Ų121105.1 Ų105.163%0.63459%0.587SS**  trans-60.7116.4178.2-20.5175.6000109.8
81N57Low52.6Low99 Ų99111.3 Ų111.353%0.52960%0.598SS.*  trans-80.6125.8176.9-174.5-6.1000110.2T79 D83T79-N81 PolarHBondContact O-N 3.02Å; T79-N81 VanDerWaalsContact O-N 3.13Å; N81-D83 PolarHBondContact ND2-OD2 3.28Å; N81-D83 PolarHBondContact OD1-N 3.16Å; N81-D83 PolarHBondContact OD1-OD2 2.8Å
82M52.4Low52.1Low118 Ų118107.2 Ų107.258%0.58160%0.595SS**  trans-101.725.8-179.6-67.3-68.9-16500113.1R84M82-R84 PolarHBondContact O-N 3.05Å
83D54.2Low51.8Low101 Ų101115.1 Ų115.154%0.5463%0.628SS.*  trans-55.2100.3172.7-87.9-44.9000111.1N81 G85N81-D83 PolarHBondContact ND2-OD2 3.28Å; N81-D83 PolarHBondContact OD1-N 3.16Å; N81-D83 PolarHBondContact OD1-OD2 2.8Å; D83-G85 PolarHBondContact O-N 3.19Å
84R54.7Low51Low156 Ų156113.2 Ų113.259%0.58964%0.637SS**  trans-60.1-14.8-179.9-167.9171.7175.8105.4-1.2113.2K69 M82 E86K69-R84 PolarHBondContact NZ-O 2.89Å; M82-R84 PolarHBondContact O-N 3.05Å; R84-E86 HydrophobicContact CB-CG 4.44Å; R84-E86 HydrophobicContact CG-CG 4.39Å; R84-E86 IonicContact NE-OE1 3.6Å
85G55.1Low50.5Low11 Ų11118.5 Ų118.511%0.11366%0.655CS.*SBendtrans88.89177.300000114.1D83 R87 L88D83-G85 PolarHBondContact O-N 3.19Å; G85-R87 PolarHBondContact O-N 2.82Å; G85-L88 WeakPolarHBondContact O-CA 3.5Å; G85-L88 WeakPolarHBondContact O-CB 3.47Å; G85-L88 PolarHBondContact O-N 3.09Å
86E55.6Low49.5Very low137 Ų137113.8 Ų113.864%0.6464%0.642SS**G310 helixtrans-59.9-31.9-178.6-72.9162.1137.800112.8R84 L88 G89R84-E86 HydrophobicContact CB-CG 4.44Å; R84-E86 HydrophobicContact CG-CG 4.39Å; R84-E86 IonicContact NE-OE1 3.6Å; E86-L88 PolarHBondContact O-N 3.25Å; E86-G89 PolarHBondContact O-N 3.2Å
87R56Low48.7Very low232 Ų232116.9 Ų116.988%0.87566%0.655SS**G310 helixtrans-58.3-12.3169.9-78.7178.2163.2152.8-6.7114.8G85G85-R87 PolarHBondContact O-N 2.82Å
88L56.1Low48Very low90 Ų90116.6 Ų116.647%0.47164%0.644SS.*G310 helixtrans-11016.6178.2-58.4173.3000112.5V39 G85 E86 I90V39-L88 HydrophobicContact CG1-CD1 3.88Å; V39-L88 HydrophobicContact CG1-CD2 4.32Å; G85-L88 WeakPolarHBondContact O-CA 3.5Å; G85-L88 WeakPolarHBondContact O-CB 3.47Å; G85-L88 PolarHBondContact O-N 3.09Å; E86-L88 PolarHBondContact O-N 3.25Å; L88-I90 HydrophobicContact CB-CD1 4.16Å; L88-I90 HydrophobicContact CB-CG1 4.05Å; L88-I90 PolarHBondContact O-N 3.23Å
89G50.8Low47.3Very low66 Ų66121.7 Ų121.768%0.6866%0.657SS**THydrogen-bonded Turntrans69.315.6172.900000115.2E86 K91E86-G89 PolarHBondContact O-N 3.2Å; G89-K91 PolarHBondContact O-N 2.58Å
90I53.8Low46.6Very low42 Ų42124.6 Ų124.622%0.21566%0.658CS.*  trans-78.990.5-175.3-41.8169.5000109.2K65 L88K65-I90 HydrophobicContact CB-CD1 4.43Å; K65-I90 HydrophobicContact CD-CD1 3.81Å; K65-I90 HydrophobicContact CD-CG1 4.07Å; K65-I90 HydrophobicContact CD-CG2 4.28Å; K65-I90 HydrophobicContact CG-CD1 3.69Å; K65-I90 HydrophobicContact CG-CG1 4.49Å; L88-I90 HydrophobicContact CB-CD1 4.16Å; L88-I90 HydrophobicContact CB-CG1 4.05Å; L88-I90 PolarHBondContact O-N 3.23Å
91K45.9Very low45.6Very low188 Ų188128.2 Ų128.282%0.81767%0.672SS**  trans-65.8129.5163.9-66.6-179.5-178.6177.10108.1G89 E93G89-K91 PolarHBondContact O-N 2.58Å; K91-E93 PolarHBondContact O-N 2.06Å; K91-E93 VanDerWaalsContact O-N 3.14Å
92P46.2Very low44.3Very low108 Ų108129.1 Ų129.170%0.70169%0.685SS**  trans-71.3106.2168.429-30.7000108
93E45.4Very low43.2Very low179 Ų179129.8 Ų129.884%0.83670%0.701SS**  trans-63.6151.2161.7-91.3-176.1155.100110.1K91 I95K91-E93 PolarHBondContact O-N 2.06Å; K91-E93 VanDerWaalsContact O-N 3.14Å; E93-I95 PolarHBondContact O-N 3.45Å; E93-I95 VanDerWaalsContact O-N 3.13Å
94S37.9Very low41.9Very low112 Ų112129.2 Ų129.278%0.78370%0.704SS**  trans-61.1113.9-164.8490000112.3P96S94-P96 WeakPolarHBondContact O-CD 3.31Å
95I41.1Very low41Very low152 Ų152128.4 Ų128.478%0.77971%0.707SS**  trans-60.2121163.2-57.9170000107.2E93 S97E93-I95 PolarHBondContact O-N 3.45Å; E93-I95 VanDerWaalsContact O-N 3.13Å; I95-S97 PolarHBondContact O-N 3.36Å
96P32.4Very low40Very low109 Ų109136.3 Ų136.371%0.70874%0.738SS**  trans-61.7125173.324.1-31.8000109.6S94 C98S94-P96 WeakPolarHBondContact O-CD 3.31Å; P96-C98 PolarHBondContact O-N 3.06Å; P96-C98 VanDerWaalsContact O-N 3.16Å
97S39.3Very low39Very low124 Ų124138.4 Ų138.487%0.86775%0.748SS**  trans-76.699.3-172.253.80000112.1I95I95-S97 PolarHBondContact O-N 3.36Å
98C29.5Very low38.1Very low116 Ų116132.9 Ų132.978%0.78474%0.74SS**  trans-140.354.4166.459.10000113.2P96P96-C98 PolarHBondContact O-N 3.06Å; P96-C98 VanDerWaalsContact O-N 3.16Å
99I36.8Very low37.2Very low159 Ų159136 Ų13682%0.81576%0.755SS**  trans-131103.4156.4-50.8177.9000108.8
100K31.2Very low36.3Very low197 Ų197142.4 Ų142.486%0.85776%0.761SS**  trans167.492.3137.9-91.8159.2-173.1-177.90111.2
101E26.4Very low35.7Very low197 Ų197146.5 Ų146.592%0.92178%0.782SS**  trans178.2128.7147.8-102.4164.6-161.800105.9
102S29.7Very low35.3Very low117 Ų117147.4 Ų147.482%0.81878%0.781SS**  cis-154.1149.8-7.248.30000109.3
103C30.1Very low35Very low133 Ų133150.8 Ų150.890%0.89979%0.785SS**  trans-110.6113.7172.3174.30000108.6
104S26.9Very low34.8Very low88 Ų88152.1 Ų152.162%0.61578%0.784SS**  trans-178.2114.9151.2-169.80000113.9
105Q35.3Very low34.7Very low139 Ų139154.9 Ų154.965%0.6578%0.782SS**  trans75.6114.4138.4-69178.654.900124
106K34.5Very low34.3Very low178 Ų178151.4 Ų151.477%0.77478%0.776SS**  trans73.5143.2136.5-59.3168.7-176.31630116
107Q34.5Very low34.7Very low181 Ų181150.6 Ų150.685%0.84678%0.779SS**  cis-136.3150.230.4-74.7174.3-84.700116.1
108V35.9Very low35.3Very low116 Ų116150 Ų15070%0.70377%0.772SS**  trans-9.4133.6149.2-133.50000117.4
109I37.5Very low35.4Very low154 Ų154155.2 Ų155.279%0.7978%0.775SS**  -166.9139.6104.539.9-174.8000112
110Y32.9Very low35.6Very low202 Ų202157 Ų15779%0.79277%0.772SS**  trans8.3139.6145.4-64.9-99.3000117.5
111I40.2Very low36Very low128 Ų128153.9 Ų153.966%0.65677%0.772SS**  cis-156.7168.225.910.1171.6000107.4
112Y37.6Very low36.5Very low206 Ų206149.9 Ų149.981%0.80876%0.757SS**  cis-135.6164.26.7-110.2-67.4000111.5
113F39Very low37.3Very low179 Ų179150.2 Ų150.279%0.78575%0.754SS**  trans-59.8149.1161.3-84.6-125.8000113.5
114Y41.3Very low37.6Very low207 Ų207152.3 Ų152.381%0.81275%0.752SS**  -162111.1120.5-122.7-91.9000110.6
115F35.9Very low38.6Very low170 Ų170157 Ų15775%0.74676%0.762SS**  trans38.7144.8155-70.6-107.5000121.1
116A34.1Very low38.7Very low80 Ų80157.7 Ų157.766%0.66177%0.769SS**  cis164.495.3-14.600000106.3
117A39.3Very low38.9Very low92 Ų92157 Ų15776%0.7677%0.774SS**  trans54.6-165.4154.200000117.3
118P51.9Low39.6Very low112 Ų112152.1 Ų152.173%0.72777%0.773SS**  -126128.6-98.335.6-18.7000113.4
119W31.5Very low39.8Very low224 Ų224157.8 Ų157.885%0.84878%0.781SS**  trans-122.4118.8-179-84.285000115.2
120R41.6Very low39.7Very low196 Ų196160 Ų16074%0.7479%0.788SS**  trans-61.2146.9156.6-58174.9174.5-168.6-1.8109D122R120-D122 PolarHBondContact O-N 2.81Å
121P39.6Very low39.7Very low133 Ų133159.2 Ų159.286%0.86479%0.794SS**  trans-79.47716233.4-31.7000109.4
122D36.8Very low39.4Very low113 Ų113158.7 Ų158.760%0.60480%0.801SS**  trans-70.2140.6160.8-93.3-59.2000109.6R120 M124R120-D122 PolarHBondContact O-N 2.81Å; D122-M124 PolarHBondContact O-N 3.46Å
123V47.3Very low39.3Very low124 Ų124155.4 Ų155.475%0.75281%0.806SS**  trans-72.6109.8-169.3175.30000111K125V123-K125 HydrophobicContact CG1-CG 4.21Å
124M36.1Very low39.5Very low176 Ų176153.3 Ų153.387%0.86781%0.808SS**  trans-101.9105.7165.1-70.8-165.2176.800111.1D122D122-M124 PolarHBondContact O-N 3.46Å
125K47.3Very low39.5Very low188 Ų188151 Ų15182%0.81781%0.81SS**  trans-85.3118.5168.4-76.4174.5176.3173.10109.8V123V123-K125 HydrophobicContact CG1-CG 4.21Å
126L37.7Very low39.4Very low153 Ų153151 Ų15180%0.80181%0.811SS**  trans-133.7128.5157.7-73.4172.2000109.1G128L126-G128 PolarHBondContact O-N 2.77Å
127N38.6Very low40.4Very low162 Ų162154.7 Ų154.787%0.86682%0.815SS**SBendtrans60.925.6170.4-58.4-28000119.1R129N127-R129 PolarHBondContact O-N 3.25Å
128G48.5Very low41.2Very low80 Ų80161.9 Ų161.983%0.82582%0.822SS**SBendtrans68.825.114400000118.7L126L126-G128 PolarHBondContact O-N 2.77Å
129R41.2Very low40.6Very low234 Ų234167.9 Ų167.988%0.88383%0.831SS**  trans-138.7134.5166.4-60.3-175.7-164.1-179.56.2110.6N127N127-R129 PolarHBondContact O-N 3.25Å
130E34.1Very low40.9Very low201 Ų201167.5 Ų167.594%0.93984%0.835SS**  trans-84.1138175.5-61.8176.7128.500109.7
131M34.1Very low40.7Very low185 Ų185163.5 Ų163.591%0.91184%0.837SS**  trans-145.1108-173.4-148.2162.6172.800110.6
132C34.2Very low40.5Very low118 Ų118164 Ų16480%0.79784%0.842SS**  trans-88.3127.6179.8-58.80000110.6V134C132-V134 PolarHBondContact O-N 3.12Å
133C35.8Very low40.8Very low136 Ų136162.7 Ų162.792%0.91985%0.847SS**  trans-72.7113.6172-62.80000110.5
134V42.9Very low40.4Very low135 Ų135163.1 Ų163.182%0.81885%0.85SS**  trans-103.5125.3165.9-177.70000107.9C132C132-V134 PolarHBondContact O-N 3.12Å
135N41.2Very low40.6Very low160 Ų160161.2 Ų161.286%0.85685%0.848SS**  trans-90.7111.9-180-153.8-2.8000109.5
136H32.6Very low40.1Very low168 Ų168160 Ų16078%0.77885%0.845SS**  trans-144.3151164.4-159.6-85.7000109.1
137E56.9Low40.2Very low159 Ų159158.1 Ų158.174%0.74384%0.842SS**  trans-85.5124.8-143.6-62.1171.9112.400115.8R139E137-R139 PolarHBondContact O-N 2.86Å
138R54.4Low40.6Very low242 Ų242158.9 Ų158.991%0.91384%0.84SS**SBendtrans54.544.8145-59.3-169.5179-164.81.5120.6
139R39.6Very low40.2Very low239 Ų239164.9 Ų164.990%0.90284%0.838SS**  trans-155.4131.1139.7-151.177.5177.8-168.6-0.4111.4E137E137-R139 PolarHBondContact O-N 2.86Å
140F37.6Very low40.3Very low216 Ų216158.6 Ų158.695%0.94783%0.827SS**  trans-81.7122.2176.6-73.8-90.8000111.3
141S37.3Very low41Very low111 Ų111155.7 Ų155.778%0.77682%0.823SS**  trans-144.2129.7157.156.70000110A143S141-A143 PolarHBondContact O-N 3.17Å
142C37.1Very low42.1Very low143 Ų143151.9 Ų151.997%0.96681%0.811SS**  trans-78.8107.1173.7-73.50000109.3
143A42.7Very low43.1Very low87 Ų87151.9 Ų151.972%0.71980%0.803SS**  trans-104128.8165.900000109.6S141 V145S141-A143 PolarHBondContact O-N 3.17Å; A143-V145 PolarHBondContact O-N 2.74Å
144V37.8Very low44.3Very low132 Ų132150.5 Ų150.580%0.879%0.792SS**  trans-65.7120.2171.2175.10000108.2Q146V144-Q146 VanDerWaalsContact C-N 3.34Å; V144-Q146 PolarHBondContact O-N 2.9Å
145V40.2Very low44.8Very low137 Ų137150.2 Ų150.283%0.8379%0.786SS**  trans-65.898.3166.5179.40000107.2A143A143-V145 PolarHBondContact O-N 2.74Å
146Q38.5Very low45.6Very low163 Ų163148.8 Ų148.876%0.76278%0.783SS**  trans-63.3134.9169.9-67.8-171.6-0.600108.3V144V144-Q146 VanDerWaalsContact C-N 3.34Å; V144-Q146 PolarHBondContact O-N 2.9Å
147P39Very low46.8Very low112 Ų112146.1 Ų146.173%0.72778%0.784SS**  trans-59.1144.1165.427.4-33.5000108.4R149P147-R149 PolarHBondContact O-N 2.88Å
148H46.6Very low46.8Very low178 Ų178147.3 Ų147.382%0.82479%0.786SS**  trans-61.999.3175.644.2-89.3000109.1P150H148-P150 WeakPolarHBondContact O-CD 3.27Å
149R40.8Very low47Very low206 Ų206144.2 Ų144.278%0.77778%0.78SS**  trans-59.4122.9171.6-176.3179.9179.1-172.20.5107.5P147 T151P147-R149 PolarHBondContact O-N 2.88Å; R149-T151 PolarHBondContact O-N 3.27Å
150P43.2Very low47.5Very low102 Ų102137 Ų13766%0.66277%0.772SS**  trans-54.6132.6173.3-2433.7000109.1H148 T152H148-P150 WeakPolarHBondContact O-CD 3.27Å; P150-T152 PolarHBondContact O-N 2.99Å
151T49.5Very low48.9Very low140 Ų140134.9 Ų134.986%0.85976%0.764SS**  trans-75.576-179.459.70000109.6R149 N153R149-T151 PolarHBondContact O-N 3.27Å; T151-N153 VanDerWaalsContact C-N 3.28Å; T151-N153 PolarHBondContact O-N 3.46Å
152T55.8Low49.6Very low106 Ų106138.4 Ų138.465%0.6577%0.766SS**  trans-69.387.5171.354.20000108.6P150 P154P150-T152 PolarHBondContact O-N 2.99Å; T152-P154 VanDerWaalsContact O-CD 3.29Å; T152-P154 WeakPolarHBondContact O-CD 3.25Å
153N55.4Low50.4Low118 Ų118143.5 Ų143.563%0.63177%0.766SS**  trans-66.1114.3171-178.74.2000108.8T151 N155T151-N153 VanDerWaalsContact C-N 3.28Å; T151-N153 PolarHBondContact O-N 3.46Å; N153-N155 PolarHBondContact O-N 2.91Å
154P62.3Low51Low107 Ų107142.1 Ų142.170%0.69576%0.761SS**  trans-83.742.6-176.237.2-35.8000111.9T152 T156T152-P154 VanDerWaalsContact O-CD 3.29Å; T152-P154 WeakPolarHBondContact O-CD 3.25Å; P154-T156 PolarHBondContact O-N 3.06Å
155N53Low52.2Low129 Ų129139.7 Ų139.769%0.6976%0.763SS**  trans-78.689.7169.9-103.1-15.4000109.2N153 S157N153-N155 PolarHBondContact O-N 2.91Å; N155-S157 PolarHBondContact O-N 3.42Å
156T58.5Low53.4Low130 Ų130136 Ų13680%0.79875%0.747SS**  trans-78.255.5177.452.60000112P154 K158P154-T156 PolarHBondContact O-N 3.06Å; T156-K158 VanDerWaalsContact C-N 3.31Å; T156-K158 PolarHBondContact O-N 3.21Å
157S55.8Low55.3Low112 Ų112132.4 Ų132.478%0.78373%0.73SS**  trans-69.190.3167.259.30000109.4N155N155-S157 PolarHBondContact O-N 3.42Å
158K57.3Low57.5Low183 Ų183134 Ų13480%0.79673%0.725SS**  trans-57.3157.9169.9-75.2-176.1175.7178.50110.3T156T156-K158 VanDerWaalsContact C-N 3.31Å; T156-K158 PolarHBondContact O-N 3.21Å
159F58.5Low59.3Low177 Ų177125.6 Ų125.678%0.77669%0.687SS**  trans77.282.2178.6-73.4-87.1000117.5
160A51.2Low61.2Low89 Ų89118.8 Ų118.874%0.73667%0.671SS**  trans-136.976.1143.500000109.8K162A160-K162 PolarHBondContact O-N 2.9Å
161Q66Low63.1Low170 Ų170119.6 Ų119.679%0.79466%0.66SS**  trans-6898.5162.7-78.7170-57.700108
162K52.3Low64.7Low185 Ų185115.4 Ų115.480%0.80464%0.637SS**  trans-120.5120.3171.5-73.4-77.2-175.9174.20107.7A160 G164A160-K162 PolarHBondContact O-N 2.9Å; K162-G164 PolarHBondContact O-N 3.1Å
163Y55Low65.9Low250 Ų250112.5 Ų112.598%0.9863%0.628SS**  trans-6876.4169.2-78.4-101.1000109.4
164G55.2Low67.1Low58 Ų58111.7 Ų111.760%0.59862%0.623SS**  trans-121.7100.7169.100000107.4K162 A166K162-G164 PolarHBondContact O-N 3.1Å; G164-A166 VanDerWaalsContact C-N 3.29Å; G164-A166 PolarHBondContact O-N 3.01Å
165G61.3Low68.2Low82 Ų82108.3 Ų108.385%0.84560%0.602SS**  trans-63.993.6171.500000108.9E167G165-E167 PolarHBondContact O-N 3.11Å
166A66.9Low69.6Low60 Ų60102.8 Ų102.850%0.49657%0.573SS.*  trans-63.1107.4177.600000108.4G164 K168G164-A166 VanDerWaalsContact C-N 3.29Å; G164-A166 PolarHBondContact O-N 3.01Å; A166-K168 WeakPolarHBondContact O-CG 3.35Å; A166-K168 PolarHBondContact O-N 3.28Å; A166-K168 VanDerWaalsContact O-N 3.12Å
167E77.1Confident70.7Confident87 Ų87104.2 Ų104.241%0.40757%0.565SS.*  trans-47.3114.4174.7-88.4179.4-173.500109.9G165 V176 P188G165-E167 PolarHBondContact O-N 3.11Å; E167-V176 WeakPolarHBondContact O-CB 3.46Å; E167-V176 PolarHBondContact O-N 3.44Å; E167-P188 HydrophobicContact CB-CB 3.76Å; E167-P188 HydrophobicContact CB-CG 3.59Å; E167-P188 HydrophobicContact CG-CB 4.13Å; E167-P188 HydrophobicContact CG-CG 3.9Å
168K85.3Confident71.8Confident144 Ų144102.9 Ų102.963%0.62656%0.56SS**BIsolated β-bridgetrans-96.2136.3-175.7-61.3-171.6-177.6-177.60111.3A166 S170 D174A166-K168 WeakPolarHBondContact O-CG 3.35Å; A166-K168 PolarHBondContact O-N 3.28Å; A166-K168 VanDerWaalsContact O-N 3.12Å; K168-S170 PolarHBondContact O-N 2.84Å; K168-D174 WeakPolarHBondContact CA-O 3.14Å
169C86.1Confident72.8Confident2 Ų297.9 Ų97.91%0.01455%0.554CS.*  trans-67.9128.4176.4-1790000110.7R171 G173 D174 V176 P188 H190 C193C169-R171 PolarHBondContact O-N 2.81Å; C169-R171 PolarHBondContact SG-N 2.85Å; C169-G173 WeakPolarHBondContact O-CA 3.19Å; C169-G173 PolarHBondContact O-N 2.97Å; C169-D174 PolarHBondContact N-O 3.49Å; C169-V176 HydrophobicContact CB-CG2 3.66Å; C169-P188 WeakPolarHBondContact CA-O 3.22Å; C169-H190 WeakPolarHBondContact CB-CE1 3.46Å; C169-H190 WeakPolarHBondContact CB-ND1 3.44Å; C169-H190 PolarHBondContact SG-ND1 2.97Å; C169-C193 WeakPolarHBondContact SG-CB 3.43Å
170S80.3Confident73.7Confident64 Ų6493.4 Ų93.445%0.44854%0.535SS..THydrogen-bonded Turntrans-68.9-12.6-179.8-61.10000113.9K168K168-S170 PolarHBondContact O-N 2.84Å
171R81.7Confident75.2Confident118 Ų11893.6 Ų93.645%0.44552%0.519SS..THydrogen-bonded Turntrans-90.8-45.1176.3-156.2-148.9-76.6-106.1-12.5114.5C169 W189 C193 R195C169-R171 PolarHBondContact O-N 2.81Å; C169-R171 PolarHBondContact SG-N 2.85Å; R171-W189 HydrophobicContact CB-CE3 4.18Å; R171-W189 HydrophobicContact CB-CZ3 3.87Å; R171-C193 HydrophobicContact CB-CB 4.24Å; R171-C193 VanDerWaalsContact CZ-O 3.25Å; R171-C193 PolarHBondContact NE-O 2.89Å; R171-C193 PolarHBondContact NH2-O 2.84Å; R171-R195 PolarHBondContact NH2-O 3.21Å
172C83.9Confident75.9Confident53 Ų5387.5 Ų87.536%0.35849%0.492SS..THydrogen-bonded Turntrans-111.8-10.3-17362.30000113.9D174 H190C172-D174 WeakPolarHBondContact CB-OD2 3.36Å; C172-D174 PolarHBondContact O-N 3.14Å; C172-D174 PolarHBondContact SG-OD2 2.92Å; C172-H190 PolarHBondContact SG-CE1 2.72Å
173G80.6Confident77.4Confident45 Ų4583.6 Ų83.646%0.46448%0.478SS..  trans78.2-15.2-178.400000114.8C169C169-G173 WeakPolarHBondContact O-CA 3.19Å; C169-G173 PolarHBondContact O-N 2.97Å
174D81.5Confident78.4Confident100 Ų10071.8 Ų71.854%0.53543%0.433SS..  trans-68.3153.8179.8-53.8-61.7000112.7K168 C169 C172K168-D174 WeakPolarHBondContact CA-O 3.14Å; C169-D174 PolarHBondContact N-O 3.49Å; C172-D174 WeakPolarHBondContact CB-OD2 3.36Å; C172-D174 PolarHBondContact O-N 3.14Å; C172-D174 PolarHBondContact SG-OD2 2.92Å
175S84.9Confident79.3Confident37 Ų3771.8 Ų71.826%0.25943%0.427SS..BIsolated β-bridgetrans-65.4134.4173.348.40000111.5H190S175-H190 PolarHBondContact O-NE2 2.88Å; S175-H190 VanDerWaalsContact O-NE2 3.14Å
176V82.8Confident80.1Confident12 Ų1271.3 Ų71.37%0.07342%0.423CS..  trans-96.5110.1177.8-170.70000108.8E167 C169 K181 P188E167-V176 WeakPolarHBondContact O-CB 3.46Å; E167-V176 PolarHBondContact O-N 3.44Å; C169-V176 HydrophobicContact CB-CG2 3.66Å; V176-K181 HydrophobicContact CG1-CB 3.55Å; V176-P188 HydrophobicContact CG2-CB 4.42Å
177Y82.1Confident80.9Confident161 Ų16172.4 Ų72.463%0.63142%0.416SS*.  trans-78.8155.2177-61.7-76.2000111.9A179 E180 K181Y177-A179 PolarHBondContact O-N 3.48Å; Y177-E180 PolarHBondContact O-N 3.13Å; Y177-K181 PolarHBondContact O-N 3.18Å
178A76.9Confident81.3Confident83 Ų8369.3 Ų69.369%0.68640%0.403SS*.THydrogen-bonded Turntrans-57.3-23.9-174.400000115.3
179A78.5Confident81.4Confident79 Ų7962.6 Ų62.665%0.65337%0.374SS*.THydrogen-bonded Turntrans-73.3-29.3175.300000113.6Y177 K191Y177-A179 PolarHBondContact O-N 3.48Å; A179-K191 VanDerWaalsContact O-CE 3.29Å; A179-K191 WeakPolarHBondContact O-CE 3.48Å; A179-K191 PolarHBondContact O-NZ 3.03Å
180E77.8Confident81.4Confident82 Ų8263.3 Ų63.338%0.38338%0.377SS..THydrogen-bonded Turntrans-109-8.5-175.3-63.5-161.412500113.7Y177 I182 H190 K191Y177-E180 PolarHBondContact O-N 3.13Å; E180-I182 PolarHBondContact O-N 3.49Å; E180-H190 IonicContact OE2-CD2 2.71Å; E180-K191 WeakPolarHBondContact O-CG 3.38Å; E180-K191 PolarHBondContact O-N 3.01Å
181K82.4Confident81.5Confident94 Ų9465.8 Ų65.841%0.40938%0.38SS..EExtended strand (participates in β ladder)trans-65.9132.7-177.280.5176.5-175.8170.60112.6V176 Y177V176-K181 HydrophobicContact CG1-CB 3.55Å; Y177-K181 PolarHBondContact O-N 3.18Å
182I81.4Confident81.6Confident42 Ų4265.3 Ų65.322%0.21539%0.386CS..EExtended strand (participates in β ladder)trans-134.1132.4163.547.1174.9000107.9E180 W189 K191 F194E180-I182 PolarHBondContact O-N 3.49Å; I182-W189 HydrophobicContact CG1-CB 4.31Å; I182-W189 VanDerWaalsContact CG1-O 3.22Å; I182-W189 WeakPolarHBondContact CG1-O 3.29Å; I182-W189 PolarHBondContact N-O 2.83Å; I182-W189 PolarHBondContact O-N 2.71Å; I182-K191 HydrophobicContact CG2-CG 4.41Å; I182-F194 HydrophobicContact CD1-CB 3.32Å; I182-F194 HydrophobicContact CD1-CD1 3.65Å; I182-F194 HydrophobicContact CD1-CD2 4.22Å; I182-F194 HydrophobicContact CD1-CE1 4.45Å; I182-F194 HydrophobicContact CD1-CG 3.5Å; I182-F194 VanDerWaalsContact CD1-CG 3.5Å; I182-F194 HydrophobicContact CG1-CB 4.33Å; I182-F194 HydrophobicContact CG1-CG 4.45Å
183I83.1Confident81.7Confident102 Ų10263.7 Ų63.752%0.52338%0.375SS..EExtended strand (participates in β ladder)trans-92.1119.6-178.9-58.3174.1000107.1
184G77.4Confident81.9Confident2 Ų261.6 Ų61.62%0.02135%0.353CS..EExtended strand (participates in β ladder)trans-126.3117.6178.600000109.6G186 K187 W189 L208G184-G186 PolarHBondContact O-N 2.77Å; G184-K187 PolarHBondContact N-O 3.01Å; G184-K187 PolarHBondContact O-N 3.41Å; G184-K187 VanDerWaalsContact O-O 3.1Å; G184-W189 PolarHBondContact O-NE1 3.12Å; G184-L208 VanDerWaalsContact C-CD2 3.45Å
185A72.8Confident82.2Confident59 Ų5962.3 Ų62.349%0.48835%0.348SS..THydrogen-bonded Turntrans50.939.9178.900000113.7K187 L208 E210A185-K187 VanDerWaalsContact C-N 3.27Å; A185-K187 PolarHBondContact O-N 2.87Å; A185-L208 HydrophobicContact CB-CD2 3.79Å; A185-L208 VanDerWaalsContact N-CD2 3.3Å; A185-E210 HydrophobicContact CB-CB 3.49Å; A185-E210 VanDerWaalsContact CB-CB 3.49Å; A185-E210 HydrophobicContact CB-CG 4.28Å; A185-E210 WeakPolarHBondContact CB-OE2 3.48Å
186G77.9Confident82.3Confident72 Ų7260.6 Ų60.674%0.74234%0.337SS*.THydrogen-bonded Turntrans80.9-2.9179.700000115.1G184G184-G186 PolarHBondContact O-N 2.77Å
187K83.7Confident82.4Confident83 Ų8362.4 Ų62.436%0.36135%0.353SS..EExtended strand (participates in β ladder)trans-107.4146.4175.6-66.4171.1-173.6-66.70111.3G184 A185 W189G184-K187 PolarHBondContact N-O 3.01Å; G184-K187 PolarHBondContact O-N 3.41Å; G184-K187 VanDerWaalsContact O-O 3.1Å; A185-K187 VanDerWaalsContact C-N 3.27Å; A185-K187 PolarHBondContact O-N 2.87Å; K187-W189 PolarHBondContact O-NE1 2.97Å
188P85.6Confident82.6Confident21 Ų2161.1 Ų61.114%0.13635%0.35CS..EExtended strand (participates in β ladder)trans-83.8138.5174.633.7-33.7000110.9E167 C169 V176E167-P188 HydrophobicContact CB-CB 3.76Å; E167-P188 HydrophobicContact CB-CG 3.59Å; E167-P188 HydrophobicContact CG-CB 4.13Å; E167-P188 HydrophobicContact CG-CG 3.9Å; C169-P188 WeakPolarHBondContact CA-O 3.22Å; V176-P188 HydrophobicContact CG2-CB 4.42Å
189W87.2Confident83.1Confident4 Ų459.8 Ų59.82%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-136.4154.3176.7-53.276.4000110R171 I182 G184 K187 F194 I215R171-W189 HydrophobicContact CB-CE3 4.18Å; R171-W189 HydrophobicContact CB-CZ3 3.87Å; I182-W189 HydrophobicContact CG1-CB 4.31Å; I182-W189 VanDerWaalsContact CG1-O 3.22Å; I182-W189 WeakPolarHBondContact CG1-O 3.29Å; I182-W189 PolarHBondContact N-O 2.83Å; I182-W189 PolarHBondContact O-N 2.71Å; G184-W189 PolarHBondContact O-NE1 3.12Å; K187-W189 PolarHBondContact O-NE1 2.97Å; W189-F194 HydrophobicContact CB-CB 4.31Å; W189-F194 HydrophobicContact CB-CD2 4.09Å; W189-F194 HydrophobicContact CD2-CD2 4.34Å; W189-F194 AromaticContact CG-CD2 3.93Å; W189-F194 HydrophobicContact CG-CD2 3.93Å; W189-I215 HydrophobicContact CE3-CD1 4.3Å; W189-I215 HydrophobicContact CH2-CG2 3.87Å; W189-I215 HydrophobicContact CZ2-CG2 3.65Å; W189-I215 HydrophobicContact CZ3-CD1 4.22Å
190H87Confident83.4Confident17 Ų1758.3 Ų58.38%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-75151.6163.9-49.388.1000110.7C169 C172 S175 E180 N192 C193 F194C169-H190 WeakPolarHBondContact CB-CE1 3.46Å; C169-H190 WeakPolarHBondContact CB-ND1 3.44Å; C169-H190 PolarHBondContact SG-ND1 2.97Å; C172-H190 PolarHBondContact SG-CE1 2.72Å; S175-H190 PolarHBondContact O-NE2 2.88Å; S175-H190 VanDerWaalsContact O-NE2 3.14Å; E180-H190 IonicContact OE2-CD2 2.71Å; H190-N192 PolarHBondContact O-N 3.46Å; H190-N192 VanDerWaalsContact O-N 3.17Å; H190-C193 HydrophobicContact CB-CB 4Å; H190-C193 CarbonylContact O-C 3.55Å; H190-C193 WeakPolarHBondContact O-CA 3.16Å; H190-C193 PolarHBondContact O-N 3.19Å; H190-F194 PolarHBondContact O-N 2.79Å; H190-F194 VanDerWaalsContact O-N 3.12Å
191K82.9Confident83.6Confident116 Ų11661.4 Ų61.450%0.50434%0.34SS..G310 helixtrans-49.2-42171.5-52.3-172-177.4168.40112.5A179 E180 I182A179-K191 VanDerWaalsContact O-CE 3.29Å; A179-K191 WeakPolarHBondContact O-CE 3.48Å; A179-K191 PolarHBondContact O-NZ 3.03Å; E180-K191 WeakPolarHBondContact O-CG 3.38Å; E180-K191 PolarHBondContact O-N 3.01Å; I182-K191 HydrophobicContact CG2-CG 4.41Å
192N83.6Confident83.7Confident108 Ų10861.2 Ų61.258%0.57835%0.351SS*.G310 helixtrans-77-20.5177.7-68.6-4000113.9H190 R195H190-N192 PolarHBondContact O-N 3.46Å; H190-N192 VanDerWaalsContact O-N 3.17Å; N192-R195 PolarHBondContact O-NE 3.45Å; N192-R195 PolarHBondContact O-NH2 3.09Å
193C85.4Confident83.5Confident19 Ų1960.2 Ų60.213%0.12835%0.345CS..G310 helixtrans-90.7-7.7179.3-70.50000112.8C169 R171 H190 R195C169-C193 WeakPolarHBondContact SG-CB 3.43Å; R171-C193 HydrophobicContact CB-CB 4.24Å; R171-C193 VanDerWaalsContact CZ-O 3.25Å; R171-C193 PolarHBondContact NE-O 2.89Å; R171-C193 PolarHBondContact NH2-O 2.84Å; H190-C193 HydrophobicContact CB-CB 4Å; H190-C193 CarbonylContact O-C 3.55Å; H190-C193 WeakPolarHBondContact O-CA 3.16Å; H190-C193 PolarHBondContact O-N 3.19Å; C193-R195 PolarHBondContact O-N 3.28Å
194F85.6Confident83Confident1 Ų162.3 Ų62.30%0.00435%0.353CS..  trans-98.375.3-175.8-166.1-107.4000111.9I182 W189 H190 S202 L203 L208 I215I182-F194 HydrophobicContact CD1-CB 3.32Å; I182-F194 HydrophobicContact CD1-CD1 3.65Å; I182-F194 HydrophobicContact CD1-CD2 4.22Å; I182-F194 HydrophobicContact CD1-CE1 4.45Å; I182-F194 HydrophobicContact CD1-CG 3.5Å; I182-F194 VanDerWaalsContact CD1-CG 3.5Å; I182-F194 HydrophobicContact CG1-CB 4.33Å; I182-F194 HydrophobicContact CG1-CG 4.45Å; W189-F194 HydrophobicContact CB-CB 4.31Å; W189-F194 HydrophobicContact CB-CD2 4.09Å; W189-F194 HydrophobicContact CD2-CD2 4.34Å; W189-F194 AromaticContact CG-CD2 3.93Å; W189-F194 HydrophobicContact CG-CD2 3.93Å; H190-F194 PolarHBondContact O-N 2.79Å; H190-F194 VanDerWaalsContact O-N 3.12Å; F194-S202 WeakPolarHBondContact O-CA 3.45Å; F194-L203 HydrophobicContact CD1-CB 3.83Å; F194-L203 WeakPolarHBondContact CD1-O 3.42Å; F194-L203 HydrophobicContact CE1-CB 3.55Å; F194-L203 HydrophobicContact CZ-CB 4.34Å; F194-L203 PolarHBondContact O-N 2.96Å; F194-L203 VanDerWaalsContact O-N 3.08Å; F194-L208 HydrophobicContact CE2-CD1 3.93Å; F194-L208 HydrophobicContact CE2-CD2 3.87Å; F194-L208 HydrophobicContact CE2-CG 4.39Å; F194-L208 HydrophobicContact CZ-CB 4.02Å; F194-L208 HydrophobicContact CZ-CD1 3.9Å; F194-L208 HydrophobicContact CZ-CD2 3.88Å; F194-L208 HydrophobicContact CZ-CG 4.14Å; F194-I215 HydrophobicContact CD2-CD1 3.74Å; F194-I215 HydrophobicContact CE2-CD1 4.25Å; F194-I215 HydrophobicContact CG-CD1 4.24Å
195R86.9Confident82.5Confident114 Ų11465.8 Ų65.843%0.4338%0.377SS..BIsolated β-bridgetrans-134.9141.2-179.3-53.7-177.5-123-158.3-0.5109.9R171 N192 C193 A197 G200 K201R171-R195 PolarHBondContact NH2-O 3.21Å; N192-R195 PolarHBondContact O-NE 3.45Å; N192-R195 PolarHBondContact O-NH2 3.09Å; C193-R195 PolarHBondContact O-N 3.28Å; R195-A197 PolarHBondContact O-N 3.28Å; R195-G200 WeakPolarHBondContact CB-O 3.43Å; R195-G200 WeakPolarHBondContact CD-O 3.46Å; R195-K201 CarbonylContact C-O 3.6Å; R195-K201 VanDerWaalsContact CA-O 3.23Å; R195-K201 WeakPolarHBondContact CA-O 3.34Å
196C87.9Confident82Confident2 Ų268.6 Ų68.61%0.01439%0.388CS..  trans-60.6132.3179.81740000112.7K198 C199 G200 K201 L203 I215 C217C196-K198 PolarHBondContact O-N 3.11Å; C196-K198 PolarHBondContact SG-N 2.95Å; C196-C199 PolarHBondContact O-N 3Å; C196-G200 WeakPolarHBondContact O-CA 3.24Å; C196-G200 PolarHBondContact O-N 3.07Å; C196-K201 PolarHBondContact N-O 3.27Å; C196-L203 HydrophobicContact CB-CD1 4.21Å; C196-L203 HydrophobicContact CB-CD2 4.42Å; C196-L203 HydrophobicContact CB-CG 4.41Å; C196-I215 WeakPolarHBondContact CA-O 3.34Å; C196-C217 HydrophobicContact CB-CB 4.5Å; C196-C217 WeakPolarHBondContact CB-SG 3.33Å; C196-C217 PolarHBondContact SG-SG 2.91Å
197A85.3Confident81.4Confident49 Ų4967.9 Ų67.941%0.40537%0.37SS..THydrogen-bonded Turntrans-57-28.5177.200000115.2R195 E214 I215R195-A197 PolarHBondContact O-N 3.28Å; A197-E214 HydrophobicContact CB-CG 3.56Å; A197-I215 PolarHBondContact N-O 3.27Å; A197-I215 VanDerWaalsContact N-O 3.11Å
198K86.4Confident80.8Confident134 Ų13465.4 Ų65.458%0.58336%0.36SS*.THydrogen-bonded Turntrans-94.2-25-174.9-66.8-66.3-176.2-173.10115.1C196 Y216C196-K198 PolarHBondContact O-N 3.11Å; C196-K198 PolarHBondContact SG-N 2.95Å; K198-Y216 HydrophobicContact CD-CE1 4.46Å; K198-Y216 HydrophobicContact CG-CD1 3.94Å; K198-Y216 HydrophobicContact CG-CE1 3.59Å
199C86.4Confident80.5Confident56 Ų5666.1 Ų66.138%0.37836%0.364SS..THydrogen-bonded Turntrans-132.60.6-174.673.20000114.6C196 K201 C217C196-C199 PolarHBondContact O-N 3Å; C199-K201 PolarHBondContact O-N 3.11Å; C199-C217 PolarHBondContact SG-SG 2.85Å
200G83.8Confident80.2Confident47 Ų4768.7 Ų68.749%0.48538%0.376SS..  trans67.4-6177.600000115.9R195 C196 S202R195-G200 WeakPolarHBondContact CB-O 3.43Å; R195-G200 WeakPolarHBondContact CD-O 3.46Å; C196-G200 WeakPolarHBondContact O-CA 3.24Å; C196-G200 PolarHBondContact O-N 3.07Å; G200-S202 PolarHBondContact O-N 2.86Å
201K83.4Confident79.7Confident148 Ų14869.4 Ų69.464%0.64338%0.379SS*.PPolyproline II helixtrans-63.8130.3178.6-64.2-175.3178.6-168.60110.2R195 C196 C199 L203R195-K201 CarbonylContact C-O 3.6Å; R195-K201 VanDerWaalsContact CA-O 3.23Å; R195-K201 WeakPolarHBondContact CA-O 3.34Å; C196-K201 PolarHBondContact N-O 3.27Å; C199-K201 PolarHBondContact O-N 3.11Å; K201-L203 PolarHBondContact O-N 3.42Å
202S83.6Confident79.3Confident90 Ų9072 Ų7263%0.62939%0.393SS*.BIsolated β-bridgetrans-56.8132.5165.147.50000109.6F194 G200F194-S202 WeakPolarHBondContact O-CA 3.45Å; G200-S202 PolarHBondContact O-N 2.86Å
203L78.3Confident78.9Confident20 Ų2068.6 Ų68.611%0.10538%0.383CS..PPolyproline II helixtrans-99.1163.5174.9-59.5176.6000109F194 C196 K201 L208 C217F194-L203 HydrophobicContact CD1-CB 3.83Å; F194-L203 WeakPolarHBondContact CD1-O 3.42Å; F194-L203 HydrophobicContact CE1-CB 3.55Å; F194-L203 HydrophobicContact CZ-CB 4.34Å; F194-L203 PolarHBondContact O-N 2.96Å; F194-L203 VanDerWaalsContact O-N 3.08Å; C196-L203 HydrophobicContact CB-CD1 4.21Å; C196-L203 HydrophobicContact CB-CD2 4.42Å; C196-L203 HydrophobicContact CB-CG 4.41Å; K201-L203 PolarHBondContact O-N 3.42Å; L203-L208 HydrophobicContact CD1-CD1 4.17Å; L203-C217 HydrophobicContact CD2-CB 3.69Å
204E71.8Confident78.7Confident146 Ų14671 Ų7168%0.68239%0.393SS*.  trans-111.1152.2164.7-67.6-174.8156.800109T206 T207E204-T206 PolarHBondContact O-N 2.85Å; E204-T207 PolarHBondContact O-N 3.48Å; E204-T207 PolarHBondContact O-OG1 3.25Å; E204-T207 VanDerWaalsContact O-OG1 3.13Å
205S66.6Low78.7Confident76 Ų7671 Ų7153%0.53139%0.393SS..G310 helixtrans-50.8-34.6-17442.80000113.2T207S205-T207 VanDerWaalsContact C-N 3.29Å; S205-T207 PolarHBondContact O-N 3.43Å
206T62.6Low78.7Confident118 Ų11866.6 Ų66.672%0.72438%0.376SS*.G310 helixtrans-70.8-13.4178.9-430000114.8E204E204-T206 PolarHBondContact O-N 2.85Å
207T65.8Low78.6Confident57 Ų5767.3 Ų67.335%0.3538%0.381SS..G310 helixtrans-122.915.2-171.962.20000114.9E204 S205E204-T207 PolarHBondContact O-N 3.48Å; E204-T207 PolarHBondContact O-OG1 3.25Å; E204-T207 VanDerWaalsContact O-OG1 3.13Å; S205-T207 VanDerWaalsContact C-N 3.29Å; S205-T207 PolarHBondContact O-N 3.43Å
208L71.9Confident78.5Confident30 Ų3071 Ų7116%0.15739%0.388CS..EExtended strand (participates in β ladder)trans-77.3142.6-179.7178.165.3000113.4G184 A185 F194 L203 I215G184-L208 VanDerWaalsContact C-CD2 3.45Å; A185-L208 HydrophobicContact CB-CD2 3.79Å; A185-L208 VanDerWaalsContact N-CD2 3.3Å; F194-L208 HydrophobicContact CE2-CD1 3.93Å; F194-L208 HydrophobicContact CE2-CD2 3.87Å; F194-L208 HydrophobicContact CE2-CG 4.39Å; F194-L208 HydrophobicContact CZ-CB 4.02Å; F194-L208 HydrophobicContact CZ-CD1 3.9Å; F194-L208 HydrophobicContact CZ-CD2 3.88Å; F194-L208 HydrophobicContact CZ-CG 4.14Å; L203-L208 HydrophobicContact CD1-CD1 4.17Å; L208-I215 HydrophobicContact CD1-CB 3.67Å; L208-I215 HydrophobicContact CD1-CG2 3.71Å
209T77.8Confident78.5Confident36 Ų3666.7 Ų66.722%0.22138%0.382CS..EExtended strand (participates in β ladder)trans-128.8120.3155.144.50000108.6Y216 Y221T209-Y216 PolarHBondContact N-O 2.92Å; T209-Y216 VanDerWaalsContact N-O 3.1Å; T209-Y216 PolarHBondContact O-N 3.36Å; T209-Y216 PolarHBondContact OG1-O 2.88Å; T209-Y221 HydrophobicContact CG2-CD2 4.19Å; T209-Y221 HydrophobicContact CG2-CG 4.25Å; T209-Y221 WeakPolarHBondContact OG1-CB 3.45Å; T209-Y221 WeakPolarHBondContact OG1-CD2 3.33Å
210E81Confident78.4Confident58 Ų5865.2 Ų65.227%0.27137%0.372SS..EExtended strand (participates in β ladder)trans-89.7146.3168.9179.3173.8141.500109.8A185A185-E210 HydrophobicContact CB-CB 3.49Å; A185-E210 VanDerWaalsContact CB-CB 3.49Å; A185-E210 HydrophobicContact CB-CG 4.28Å; A185-E210 WeakPolarHBondContact CB-OE2 3.48Å
211K77Confident78.6Confident33 Ų3367.1 Ų67.114%0.14337%0.365CS..EExtended strand (participates in β ladder)trans-152.6136.9164.560.8-168.3-49.7-64.80109.5G213 E214 Y216 Y221 F225K211-G213 PolarHBondContact O-N 3.07Å; K211-G213 VanDerWaalsContact O-N 3.11Å; K211-E214 PolarHBondContact N-O 2.84Å; K211-E214 PolarHBondContact O-N 3.01Å; K211-Y216 HydrophobicContact CD-CD2 3.8Å; K211-Y216 HydrophobicContact CD-CE2 3.72Å; K211-Y216 HydrophobicContact CD-CG 4.39Å; K211-Y216 HydrophobicContact CG-CD2 3.57Å; K211-Y216 HydrophobicContact CG-CE2 3.35Å; K211-Y221 HydrophobicContact CB-CE2 4.48Å; K211-Y221 HydrophobicContact CD-CD2 3.94Å; K211-Y221 HydrophobicContact CD-CE2 3.81Å; K211-F225 HydrophobicContact CD-CD1 4.46Å; K211-F225 HydrophobicContact CD-CD2 3.51Å; K211-F225 HydrophobicContact CD-CE1 4.32Å; K211-F225 HydrophobicContact CD-CE2 3.34Å; K211-F225 HydrophobicContact CD-CG 4.09Å; K211-F225 HydrophobicContact CD-CZ 3.78Å; K211-F225 VanDerWaalsContact CE-CD2 3.41Å; K211-F225 VanDerWaalsContact CE-CE2 3.49Å; K211-F225 VanDerWaalsContact CE-CG 3.43Å; K211-F225 VanDerWaalsContact NZ-CZ 3.33Å
212E74.8Confident78.7Confident170 Ų17063 Ų6379%0.79436%0.358SS*.THydrogen-bonded Turntrans54.430.6178.1-59.9145.2149.800113.2E214E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 3.35Å
213G74.7Confident78.7Confident36 Ų3666.9 Ų66.937%0.37136%0.363SS..THydrogen-bonded Turntrans80.3-1-17700000115.7K211K211-G213 PolarHBondContact O-N 3.07Å; K211-G213 VanDerWaalsContact O-N 3.11Å
214E80.7Confident78.9Confident71 Ų7169.5 Ų69.533%0.33238%0.378SS..EExtended strand (participates in β ladder)trans-113.2148-176.7-172.559.3-104.200111.8A197 K211 E212 Y216A197-E214 HydrophobicContact CB-CG 3.56Å; K211-E214 PolarHBondContact N-O 2.84Å; K211-E214 PolarHBondContact O-N 3.01Å; E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 3.35Å; E214-Y216 HydrophobicContact CB-CE2 3.84Å; E214-Y216 HydrophobicContact CG-CE2 3.82Å; E214-Y216 WeakPolarHBondContact O-CD2 3.36Å; E214-Y216 WeakPolarHBondContact O-CE2 3.39Å
215I85.8Confident79.4Confident0 Ų066.7 Ų66.70%036%0.364CS..EExtended strand (participates in β ladder)trans-104.6133.8-168.261.5171.5000113.7W189 F194 C196 A197 L208W189-I215 HydrophobicContact CE3-CD1 4.3Å; W189-I215 HydrophobicContact CH2-CG2 3.87Å; W189-I215 HydrophobicContact CZ2-CG2 3.65Å; W189-I215 HydrophobicContact CZ3-CD1 4.22Å; F194-I215 HydrophobicContact CD2-CD1 3.74Å; F194-I215 HydrophobicContact CE2-CD1 4.25Å; F194-I215 HydrophobicContact CG-CD1 4.24Å; C196-I215 WeakPolarHBondContact CA-O 3.34Å; A197-I215 PolarHBondContact N-O 3.27Å; A197-I215 VanDerWaalsContact N-O 3.11Å; L208-I215 HydrophobicContact CD1-CB 3.67Å; L208-I215 HydrophobicContact CD1-CG2 3.71Å
216Y86.3Confident80.1Confident22 Ų2264.2 Ų64.29%0.08635%0.35CS..EExtended strand (participates in β ladder)trans-131.7146.9-174.5-62-101.4000112.8K198 T209 K211 E214 F225K198-Y216 HydrophobicContact CD-CE1 4.46Å; K198-Y216 HydrophobicContact CG-CD1 3.94Å; K198-Y216 HydrophobicContact CG-CE1 3.59Å; T209-Y216 PolarHBondContact N-O 2.92Å; T209-Y216 VanDerWaalsContact N-O 3.1Å; T209-Y216 PolarHBondContact O-N 3.36Å; T209-Y216 PolarHBondContact OG1-O 2.88Å; K211-Y216 HydrophobicContact CD-CD2 3.8Å; K211-Y216 HydrophobicContact CD-CE2 3.72Å; K211-Y216 HydrophobicContact CD-CG 4.39Å; K211-Y216 HydrophobicContact CG-CD2 3.57Å; K211-Y216 HydrophobicContact CG-CE2 3.35Å; E214-Y216 HydrophobicContact CB-CE2 3.84Å; E214-Y216 HydrophobicContact CG-CE2 3.82Å; E214-Y216 WeakPolarHBondContact O-CD2 3.36Å; E214-Y216 WeakPolarHBondContact O-CE2 3.39Å; Y216-F225 HydrophobicContact CD1-CE2 4.24Å; Y216-F225 AromaticContact CE1-CE2 3.97Å; Y216-F225 HydrophobicContact CE1-CE2 3.97Å; Y216-F225 HydrophobicContact CE1-CZ 4.43Å
217C87.5Confident81Confident16 Ų1665 Ų6511%0.10836%0.357CS..EExtended strand (participates in β ladder)trans-70146.6165.512.40000111C196 C199 L203 G219 C220 Y221C196-C217 HydrophobicContact CB-CB 4.5Å; C196-C217 WeakPolarHBondContact CB-SG 3.33Å; C196-C217 PolarHBondContact SG-SG 2.91Å; C199-C217 PolarHBondContact SG-SG 2.85Å; L203-C217 HydrophobicContact CD2-CB 3.69Å; C217-G219 VanDerWaalsContact C-N 3.3Å; C217-G219 PolarHBondContact O-N 3.29Å; C217-C220 HydrophobicContact CB-CB 3.95Å; C217-C220 WeakPolarHBondContact CB-SG 3.35Å; C217-C220 CarbonylContact O-C 3.55Å; C217-C220 WeakPolarHBondContact O-CA 3.32Å; C217-C220 WeakPolarHBondContact O-CB 3.44Å; C217-C220 PolarHBondContact O-N 2.88Å; C217-C220 WeakPolarHBondContact SG-CB 3.38Å; C217-C220 CovalentContact SG-SG 2.04Å; C217-C220 PolarHBondContact SG-SG 3.09Å; C217-Y221 WeakPolarHBondContact O-CB 3.34Å; C217-Y221 PolarHBondContact O-N 2.83Å
218K83.3Confident81.2Confident127 Ų12771 Ų7155%0.55238%0.378SS*.Hα-helixtrans-45.4-49.5170.8-67.6-175176.9179.80113.6C220 Y221 A222K218-C220 PolarHBondContact O-N 3.46Å; K218-Y221 PolarHBondContact O-N 2.79Å; K218-A222 WeakPolarHBondContact O-CB 3.46Å; K218-A222 PolarHBondContact O-N 2.9Å
219G85.4Confident80.7Confident44 Ų4473 Ų7345%0.45441%0.405SS..Hα-helixtrans-69.5-16.517900000115.2C217 K223C217-G219 VanDerWaalsContact C-N 3.3Å; C217-G219 PolarHBondContact O-N 3.29Å; G219-K223 WeakPolarHBondContact O-CD 3.49Å; G219-K223 VanDerWaalsContact O-CG 3.24Å; G219-K223 WeakPolarHBondContact O-CG 3.39Å
220C85.3Confident80.1Confident24 Ų2480.6 Ų80.616%0.16244%0.436CS..Hα-helixtrans-94.2-36.2179.1-47.10000110.2C217 K218 N224C217-C220 HydrophobicContact CB-CB 3.95Å; C217-C220 WeakPolarHBondContact CB-SG 3.35Å; C217-C220 CarbonylContact O-C 3.55Å; C217-C220 WeakPolarHBondContact O-CA 3.32Å; C217-C220 WeakPolarHBondContact O-CB 3.44Å; C217-C220 PolarHBondContact O-N 2.88Å; C217-C220 WeakPolarHBondContact SG-CB 3.38Å; C217-C220 CovalentContact SG-SG 2.04Å; C217-C220 PolarHBondContact SG-SG 3.09Å; K218-C220 PolarHBondContact O-N 3.46Å; C220-N224 WeakPolarHBondContact O-CB 3.26Å; C220-N224 PolarHBondContact O-N 2.94Å
221Y87.2Confident78.8Confident88 Ų8881.5 Ų81.535%0.34546%0.46SS..Hα-helixtrans-61.5-52.6169.1-171.4-81.6000110.7T209 K211 C217 K218 K223 N224 F225 G226T209-Y221 HydrophobicContact CG2-CD2 4.19Å; T209-Y221 HydrophobicContact CG2-CG 4.25Å; T209-Y221 WeakPolarHBondContact OG1-CB 3.45Å; T209-Y221 WeakPolarHBondContact OG1-CD2 3.33Å; K211-Y221 HydrophobicContact CB-CE2 4.48Å; K211-Y221 HydrophobicContact CD-CD2 3.94Å; K211-Y221 HydrophobicContact CD-CE2 3.81Å; C217-Y221 WeakPolarHBondContact O-CB 3.34Å; C217-Y221 PolarHBondContact O-N 2.83Å; K218-Y221 PolarHBondContact O-N 2.79Å; Y221-K223 VanDerWaalsContact C-N 3.33Å; Y221-K223 PolarHBondContact O-N 2.94Å; Y221-N224 PolarHBondContact O-N 2.87Å; Y221-F225 HydrophobicContact CD2-CD2 4.31Å; Y221-F225 HydrophobicContact CE1-CB 4.4Å; Y221-F225 WeakPolarHBondContact O-CA 3.42Å; Y221-F225 WeakPolarHBondContact O-CB 3.15Å; Y221-F225 PolarHBondContact O-N 3.31Å; Y221-G226 PolarHBondContact O-N 2.81Å
222A85.1Confident77.7Confident60 Ų6090.7 Ų90.750%0.49650%0.496SS..Hα-helixtrans-60.5-36.6-179.700000113.6K218 G226K218-A222 WeakPolarHBondContact O-CB 3.46Å; K218-A222 PolarHBondContact O-N 2.9Å; A222-G226 VanDerWaalsContact O-CA 3.25Å; A222-G226 WeakPolarHBondContact O-CA 3.29Å; A222-G226 PolarHBondContact O-N 2.76Å
223K83.8Confident76.7Confident172 Ų17286.1 Ų86.175%0.74849%0.494SS*.Hα-helixtrans-71.9-35178.5-75178-177.8-167.60113.8G219 Y221G219-K223 WeakPolarHBondContact O-CD 3.49Å; G219-K223 VanDerWaalsContact O-CG 3.24Å; G219-K223 WeakPolarHBondContact O-CG 3.39Å; Y221-K223 VanDerWaalsContact C-N 3.33Å; Y221-K223 PolarHBondContact O-N 2.94Å
224N83.1Confident75.8Confident76 Ų7693.9 Ų93.941%0.40652%0.521SS..Hα-helixtrans-97.7-28.7-173-67.36.7000113.1C220 Y221C220-N224 WeakPolarHBondContact O-CB 3.26Å; C220-N224 PolarHBondContact O-N 2.94Å; Y221-N224 PolarHBondContact O-N 2.87Å
225F82.8Confident74.4Confident87 Ų8794 Ų9438%0.38254%0.541SS..Hα-helixtrans-134.31.3-170.4-47.4-72.9000113.2K211 Y216 Y221K211-F225 HydrophobicContact CD-CD1 4.46Å; K211-F225 HydrophobicContact CD-CD2 3.51Å; K211-F225 HydrophobicContact CD-CE1 4.32Å; K211-F225 HydrophobicContact CD-CE2 3.34Å; K211-F225 HydrophobicContact CD-CG 4.09Å; K211-F225 HydrophobicContact CD-CZ 3.78Å; K211-F225 VanDerWaalsContact CE-CD2 3.41Å; K211-F225 VanDerWaalsContact CE-CE2 3.49Å; K211-F225 VanDerWaalsContact CE-CG 3.43Å; K211-F225 VanDerWaalsContact NZ-CZ 3.33Å; Y216-F225 HydrophobicContact CD1-CE2 4.24Å; Y216-F225 AromaticContact CE1-CE2 3.97Å; Y216-F225 HydrophobicContact CE1-CE2 3.97Å; Y216-F225 HydrophobicContact CE1-CZ 4.43Å; Y221-F225 HydrophobicContact CD2-CD2 4.31Å; Y221-F225 HydrophobicContact CE1-CB 4.4Å; Y221-F225 WeakPolarHBondContact O-CA 3.42Å; Y221-F225 WeakPolarHBondContact O-CB 3.15Å; Y221-F225 PolarHBondContact O-N 3.31Å
226G80.8Confident73.1Confident23 Ų2399 Ų9924%0.23758%0.583CS.*SBendtrans-69.2158.7163.500000110.8Y221 A222 K228Y221-G226 PolarHBondContact O-N 2.81Å; A222-G226 VanDerWaalsContact O-CA 3.25Å; A222-G226 WeakPolarHBondContact O-CA 3.29Å; A222-G226 PolarHBondContact O-N 2.76Å; G226-K228 PolarHBondContact O-N 3.15Å; G226-K228 VanDerWaalsContact O-N 3.12Å
227P80.5Confident71.5Confident135 Ų135102.1 Ų102.188%0.87762%0.621SS**  trans-59.2119.617525.7-33.5000109.3G229P227-G229 VanDerWaalsContact C-N 3.34Å; P227-G229 PolarHBondContact O-N 3.5Å
228K71.3Confident70Confident183 Ų183105 Ų10580%0.79665%0.647SS**  trans-67.597.3169.6-73.2-178.8179.4176.20107.5G226 F230G226-K228 PolarHBondContact O-N 3.15Å; G226-K228 VanDerWaalsContact O-N 3.12Å; K228-F230 PolarHBondContact O-N 2.96Å
229G61.5Low68.4Low71 Ų71107 Ų10773%0.73266%0.662SS**  trans-57.9123.2175.900000110.1P227 G231P227-G229 VanDerWaalsContact C-N 3.34Å; P227-G229 PolarHBondContact O-N 3.5Å; G229-G231 PolarHBondContact O-N 2.9Å
230F63.6Low66.6Low197 Ų197111.4 Ų111.486%0.86468%0.68SS**  trans-65.5104.7166.4-84.2-101.5000107.8K228 Y232K228-F230 PolarHBondContact O-N 2.96Å; F230-Y232 PolarHBondContact O-N 2.89Å
231G54.7Low64.6Low76 Ų76119.2 Ų119.278%0.78471%0.714SS**  trans-68.9113.7170.900000109.2G229 G233G229-G231 PolarHBondContact O-N 2.9Å; G231-G233 PolarHBondContact O-N 2.99Å
232Y54.6Low62.9Low226 Ų226119.2 Ų119.289%0.88673%0.732SS**  trans-60.1125.9170.7-71.5-95.2000109.2F230 Q234F230-Y232 PolarHBondContact O-N 2.89Å; Y232-Q234 PolarHBondContact O-N 2.8Å
233G53.4Low61.8Low74 Ų74129.1 Ų129.176%0.76377%0.768SS**  trans-66.5126.1172.400000110.1G231 G235G231-G233 PolarHBondContact O-N 2.99Å; G233-G235 PolarHBondContact O-N 2.94Å; G233-G235 VanDerWaalsContact O-N 3.08Å
234Q54.6Low60.7Low200 Ų200127 Ų12794%0.93577%0.769SS**  trans-63.6109.1159.6-85.3-178.4-38.700107.5Y232 A236Y232-Q234 PolarHBondContact O-N 2.8Å; Q234-A236 PolarHBondContact O-N 2.88Å
235G52.2Low59.5Low73 Ų73129.6 Ų129.675%0.75379%0.788SS**  trans-62.4133.6177.300000110.7G233 G237G233-G235 PolarHBondContact O-N 2.94Å; G233-G235 VanDerWaalsContact O-N 3.08Å; G235-G237 PolarHBondContact O-N 3.06Å
236A57.5Low58.2Low106 Ų106132 Ų13288%0.87681%0.81SS**  trans-70.293.6168.500000109Q234 A238Q234-A236 PolarHBondContact O-N 2.88Å; A236-A238 PolarHBondContact O-N 3.14Å
237G53.3Low56.9Low86 Ų86138.4 Ų138.489%0.88784%0.844SS**  trans-70.7112.3167.500000109.5G235G235-G237 PolarHBondContact O-N 3.06Å
238A56.3Low55.4Low78 Ų78138.6 Ų138.665%0.64584%0.842SS**  trans-109147.4178.300000111.3A236A236-A238 PolarHBondContact O-N 3.14Å
239L50.3Low54.4Low169 Ų169135.7 Ų135.789%0.88585%0.845SS**  trans71.6152.2168.9-35.8-176.8000114.2
240V46.7Very low53.9Low136 Ų136140.3 Ų140.382%0.82485%0.853SS**  cis-131.4157.314.6-75.30000112.9
241H44.3Very low53.1Low188 Ų188135.9 Ų135.987%0.8785%0.852SS**  trans-74.4132.2165.5-155.6-48.7000108.9
242A51.3Low53Low88 Ų88140.9 Ų140.973%0.72786%0.858SS**  trans-98.2154.8165.200000109.9
243Q61.4Low52.8Low267 Ų267133.2 Ų133.2100%1.24886%0.856SS**  trans-96.20-162.3-170.1173.2-7.800113.2

Retrieved 243 of 243 residues in 285.2 ms (Link to these results)

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