A0A077ZA65_TRITR Loading...

Large ribosomal subunit protein uL16

AlphaFold DB , UniProt , Accession A0A077ZA65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M52.8Low89.4Confident159 Ų15999.1 Ų99.178%0.78350%0.495SS*.  0126.70-100.6-164.7-88.500109.6K101 M102M1-K101 HydrophobicContact CE-CB 4.02Å; M1-K101 HydrophobicContact CE-CD 4.45Å; M1-K101 HydrophobicContact CE-CG 4.42Å; M1-M102 WeakPolarHBondContact CE-O 3.22Å
2G77.4Confident90Very high72 Ų7292 Ų9274%0.74246%0.462SS*.PPolyproline II helixtrans-63.8167.7175.100000112.8
3R86.4Confident90.4Very high129 Ų12998.1 Ų98.149%0.48748%0.484SS..PPolyproline II helixtrans-66.1134.1176.5-175.7174.2164.4-144.6-8.7109.8S61 E63R3-S61 PolarHBondContact NH2-OG 3.25Å; R3-E63 IonicContact CZ-OE1 3.57Å; R3-E63 IonicContact CZ-OE2 3.47Å; R3-E63 IonicContact NE-OE1 2.74Å; R3-E63 PolarHBondContact NE-OE1 3.29Å; R3-E63 IonicContact NE-OE2 3.24Å; R3-E63 IonicContact NH1-OE1 3.74Å; R3-E63 IonicContact NH1-OE2 3.83Å; R3-E63 PolarHBondContact NH1-OE2 3.11Å; R3-E63 IonicContact NH2-OE2 2.8Å; R3-E63 PolarHBondContact NH2-OE2 2.93Å
4R92.8Very high90.7Very high98 Ų9898.1 Ų98.137%0.3749%0.486SS..PPolyproline II helixtrans-60.7146.7174.6-82.9-169.7177.4169.63.5110.8A6 Y9 I99 N100R4-A6 PolarHBondContact O-N 3.31Å; R4-Y9 HydrophobicContact CB-CE2 3.91Å; R4-I99 HydrophobicContact CG-CD1 4Å; R4-N100 PolarHBondContact NH2-O 3.22Å; R4-N100 VanDerWaalsContact NH2-O 3.16Å
5P95.9Very high91.1Very high66 Ų66103.9 Ų103.943%0.42951%0.508SS..PPolyproline II helixtrans-59.7139175.826.7-34.6000110.4R7 C8P5-R7 HydrophobicContact CB-CG 4.17Å; P5-R7 HydrophobicContact CG-CG 4.23Å; P5-R7 PolarHBondContact O-N 3.13Å; P5-C8 PolarHBondContact O-N 3.08Å; P5-C8 VanDerWaalsContact O-N 3.13Å
6A95.9Very high91.5Very high58 Ų58103.4 Ų103.448%0.47952%0.515SS..G310 helixtrans-62.2-19-173.800000113.5R4 C8 Y9 R10R4-A6 PolarHBondContact O-N 3.31Å; A6-C8 PolarHBondContact O-N 3.07Å; A6-C8 VanDerWaalsContact O-N 3.1Å; A6-Y9 CarbonylContact O-C 3.52Å; A6-Y9 PolarHBondContact O-N 3.28Å; A6-R10 PolarHBondContact O-N 3.2Å; A6-R10 VanDerWaalsContact O-N 3.1Å
7R95.9Very high91.9Very high204 Ų204100.5 Ų100.577%0.7750%0.497SS*.G310 helixtrans-53.6-30.1173.473.2-176.7179-149.41.4113.4P5 Y9P5-R7 HydrophobicContact CB-CG 4.17Å; P5-R7 HydrophobicContact CG-CG 4.23Å; P5-R7 PolarHBondContact O-N 3.13Å; R7-Y9 PolarHBondContact O-N 2.88Å
8C95.9Very high92.2Very high73 Ų7398.3 Ų98.349%0.49349%0.492SS..G310 helixtrans-68-24.6177.2-59.90000113.2P5 A6P5-C8 PolarHBondContact O-N 3.08Å; P5-C8 VanDerWaalsContact O-N 3.13Å; A6-C8 PolarHBondContact O-N 3.07Å; A6-C8 VanDerWaalsContact O-N 3.1Å
9Y96.7Very high92.5Very high38 Ų38100.1 Ų100.115%0.14950%0.496CS..THydrogen-bonded Turntrans-118.45.3-173-53.4-67.9000113.2R4 A6 R7 Y11 Q59 I97R4-Y9 HydrophobicContact CB-CE2 3.91Å; A6-Y9 CarbonylContact O-C 3.52Å; A6-Y9 PolarHBondContact O-N 3.28Å; R7-Y9 PolarHBondContact O-N 2.88Å; Y9-Y11 VanDerWaalsContact C-N 3.35Å; Y9-Y11 PolarHBondContact O-N 3.31Å; Y9-Q59 VanDerWaalsContact O-CB 3.3Å; Y9-Q59 WeakPolarHBondContact O-CB 3.47Å; Y9-Q59 VanDerWaalsContact O-CD 3.24Å; Y9-Q59 WeakPolarHBondContact O-CG 3.41Å; Y9-Q59 PolarHBondContact O-OE1 2.88Å; Y9-I97 HydrophobicContact CD1-CB 3.86Å; Y9-I97 HydrophobicContact CD1-CD1 4.03Å; Y9-I97 HydrophobicContact CD1-CG2 3.82Å; Y9-I97 HydrophobicContact CD2-CD1 3.66Å; Y9-I97 HydrophobicContact CE1-CB 3.99Å; Y9-I97 HydrophobicContact CE1-CD1 4.09Å; Y9-I97 HydrophobicContact CE1-CG2 4.45Å; Y9-I97 HydrophobicContact CE2-CD1 3.69Å; Y9-I97 HydrophobicContact CG-CB 4.38Å; Y9-I97 HydrophobicContact CG-CD1 3.82Å; Y9-I97 HydrophobicContact CG-CG2 4.13Å
10R96.6Very high92.7Very high72 Ų7297.5 Ų97.527%0.27249%0.488SS..  trans-58.1-42.1-174.1-177.1177.4180-177.7-4.1113.2A6 E56 E58 Q59 P160A6-R10 PolarHBondContact O-N 3.2Å; A6-R10 VanDerWaalsContact O-N 3.1Å; R10-E56 IonicContact CZ-OE2 2.87Å; R10-E56 IonicContact NE-OE2 3.53Å; R10-E56 IonicContact NH2-OE1 3.13Å; R10-E56 PolarHBondContact NH2-OE1 2.86Å; R10-E56 IonicContact NH2-OE2 3.24Å; R10-E56 PolarHBondContact NH2-OE2 2.86Å; R10-E58 HydrophobicContact CG-CB 4.44Å; R10-E58 IonicContact NE-OE2 3.37Å; R10-E58 CarbonylContact O-C 3.49Å; R10-E58 VanDerWaalsContact O-CA 3.3Å; R10-E58 WeakPolarHBondContact O-CA 3.43Å; R10-E58 WeakPolarHBondContact O-CB 3.49Å; R10-Q59 PolarHBondContact O-N 2.87Å; R10-P160 HydrophobicContact CG-CB 4.48Å
11Y97.3Very high92.9Very high121 Ų121101.9 Ų101.948%0.47550%0.499SS..SBendtrans-97.2140-170.2-59.1-66.9000113.2Y9 K13 Q59Y9-Y11 VanDerWaalsContact C-N 3.35Å; Y9-Y11 PolarHBondContact O-N 3.31Å; Y11-K13 VanDerWaalsContact C-N 3.27Å; Y11-K13 PolarHBondContact O-N 3.44Å; Y11-Q59 PolarHBondContact O-NE2 2.82Å
12C96.2Very high95Very high14 Ų14101.9 Ų101.910%0.09549%0.494CS..  trans-73.263.4177.3-82.70000113.6F57 E58 Q59 R128C12-F57 HydrophobicContact CB-CD1 3.89Å; C12-F57 HydrophobicContact CB-CE1 3.24Å; C12-F57 HydrophobicContact CB-CE2 3.94Å; C12-F57 HydrophobicContact CB-CZ 3.28Å; C12-E58 PolarHBondContact SG-O 2.85Å; C12-Q59 HydrophobicContact CB-CG 4.48Å; C12-Q59 WeakPolarHBondContact SG-CG 3.15Å; C12-R128 PolarHBondContact O-NH2 3.39Å; C12-R128 PolarHBondContact SG-NE 2.95Å; C12-R128 VanDerWaalsContact SG-NE 3.44Å
13K95.6Very high95.9Very high171 Ų17198.6 Ų98.674%0.74346%0.46SS*.  trans-81.7-37.1-173.4-59-176.9-178.6-172.10114.9Y11Y11-K13 VanDerWaalsContact C-N 3.27Å; Y11-K13 PolarHBondContact O-N 3.44Å
14N94.4Very high96.4Very high98 Ų98102 Ų10252%0.52447%0.473SS..SBendtrans-92.9163.7-171.4-63.1-31.8000112.1R128N14-R128 PolarHBondContact O-NH1 2.72Å
15K97.4Very high96.4Very high185 Ų185100.9 Ų100.980%0.80449%0.491SS*.PPolyproline II helixtrans-60.4146.9166-67.4-174.8180-1770110.5Y17 H95K15-Y17 PolarHBondContact O-N 3.42Å; K15-H95 PolarHBondContact O-CE1 3.12Å
16P97.5Very high96.4Very high96 Ų9698.3 Ų98.362%0.62347%0.474SS*.PPolyproline II helixtrans-54.6128176-24.132.7000112.1
17Y97.5Very high96.4Very high55 Ų5597.9 Ų97.922%0.21647%0.467CS..  trans-126.179.7-179.9-172-118.7000110K15 N23 H95 V96 R98K15-Y17 PolarHBondContact O-N 3.42Å; Y17-N23 WeakPolarHBondContact CD1-ND2 3.41Å; Y17-N23 HydrophobicContact CE1-CB 3.97Å; Y17-N23 WeakPolarHBondContact CE1-ND2 3.4Å; Y17-N23 WeakPolarHBondContact CE1-OD1 3.48Å; Y17-N23 HydrophobicContact CE2-CB 3.97Å; Y17-N23 WeakPolarHBondContact OH-CB 3.42Å; Y17-N23 VanDerWaalsContact OH-CG 3.27Å; Y17-N23 PolarHBondContact OH-OD1 2.89Å; Y17-N23 VanDerWaalsContact OH-OD1 3.06Å; Y17-H95 PolarHBondContact N-CE1 2.92Å; Y17-H95 PolarHBondContact N-ND1 3.33Å; Y17-V96 HydrophobicContact CD1-CB 4.2Å; Y17-V96 VanDerWaalsContact O-CB 3.3Å; Y17-V96 WeakPolarHBondContact O-CB 2.81Å; Y17-V96 PolarHBondContact O-N 3.39Å; Y17-R98 HydrophobicContact CD1-CG 4.29Å; Y17-R98 HydrophobicContact CE1-CG 4.15Å
18P97.7Very high96.4Very high61 Ų6192.2 Ų92.240%0.39645%0.452SS..BIsolated β-bridgetrans-77.4168.2-178.432.1-35000112.5S20 N23 F94P18-S20 PolarHBondContact O-N 3.18Å; P18-N23 WeakPolarHBondContact O-CB 3.43Å; P18-N23 PolarHBondContact O-ND2 3.06Å; P18-F94 VanDerWaalsContact CA-O 3.32Å; P18-F94 WeakPolarHBondContact CA-O 3.47Å
19K97.3Very high96.4Very high132 Ų13290.4 Ų90.457%0.57444%0.439SS*.SBendtrans-60127.8164.3-175.6175.3-178.8174.90108.4V26 D28K19-V26 HydrophobicContact CB-CB 4.35Å; K19-V26 HydrophobicContact CB-CG1 4.34Å; K19-V26 HydrophobicContact CB-CG2 4.23Å; K19-V26 HydrophobicContact CD-CB 4.23Å; K19-V26 HydrophobicContact CG-CB 4.1Å; K19-V26 HydrophobicContact CG-CG2 4.15Å; K19-D28 IonicContact NZ-OD1 3.28Å
20S97Very high96.5Very high47 Ų4794.9 Ų94.933%0.32946%0.459SS..  trans-156.9177.8-175.169.20000111P18 F22 N23P18-S20 PolarHBondContact O-N 3.18Å; S20-F22 PolarHBondContact O-N 2.97Å; S20-F22 VanDerWaalsContact O-N 3.16Å; S20-F22 PolarHBondContact OG-N 3.37Å; S20-N23 PolarHBondContact N-O 2.86Å; S20-N23 CarbonylContact O-C 3.38Å; S20-N23 PolarHBondContact O-N 3Å; S20-N23 VanDerWaalsContact O-O 3.09Å; S20-N23 PolarHBondContact OG-N 3.15Å; S20-N23 VanDerWaalsContact OG-N 3.14Å
21R97.4Very high96.5Very high191 Ų19191.5 Ų91.572%0.72145%0.447SS*.SBendtrans-58.1-24.3172.665.1-175.5-120.3170.80.4113.8R24R21-R24 PolarHBondContact O-NE 3.33Å
22F97Very high96.5Very high158 Ų15893.2 Ų93.269%0.69345%0.452SS*.SBendtrans-93-31178.4-50.1-70.5000112.5S20S20-F22 PolarHBondContact O-N 2.97Å; S20-F22 VanDerWaalsContact O-N 3.16Å; S20-F22 PolarHBondContact OG-N 3.37Å
23N95.7Very high96.5Very high3 Ų396.9 Ų96.92%0.01647%0.47CS..SBendtrans-103.983.3178.8-174.423.9000110.5Y17 P18 S20 V26 V96 P122Y17-N23 WeakPolarHBondContact CD1-ND2 3.41Å; Y17-N23 HydrophobicContact CE1-CB 3.97Å; Y17-N23 WeakPolarHBondContact CE1-ND2 3.4Å; Y17-N23 WeakPolarHBondContact CE1-OD1 3.48Å; Y17-N23 HydrophobicContact CE2-CB 3.97Å; Y17-N23 WeakPolarHBondContact OH-CB 3.42Å; Y17-N23 VanDerWaalsContact OH-CG 3.27Å; Y17-N23 PolarHBondContact OH-OD1 2.89Å; Y17-N23 VanDerWaalsContact OH-OD1 3.06Å; P18-N23 WeakPolarHBondContact O-CB 3.43Å; P18-N23 PolarHBondContact O-ND2 3.06Å; S20-N23 PolarHBondContact N-O 2.86Å; S20-N23 CarbonylContact O-C 3.38Å; S20-N23 PolarHBondContact O-N 3Å; S20-N23 VanDerWaalsContact O-O 3.09Å; S20-N23 PolarHBondContact OG-N 3.15Å; S20-N23 VanDerWaalsContact OG-N 3.14Å; N23-V26 HydrophobicContact CB-CG2 4.46Å; N23-V26 WeakPolarHBondContact ND2-CG2 3.2Å; N23-V26 VanDerWaalsContact O-CG2 3.31Å; N23-V26 WeakPolarHBondContact O-CG2 3.43Å; N23-V96 WeakPolarHBondContact ND2-CG2 3.38Å; N23-P122 VanDerWaalsContact OD1-CG 3.31Å; N23-P122 WeakPolarHBondContact OD1-CG 3.49Å
24R95.9Very high96.7Very high202 Ų20290.6 Ų90.676%0.76244%0.443SS*.  trans-93.8164.4-178-55.8-177.5-173.7-172.90.5111.4R21 V26R21-R24 PolarHBondContact O-NE 3.33Å; R24-V26 PolarHBondContact O-N 2.69Å
25G93.8Very high96.8Very high73 Ų7388.2 Ų88.275%0.75343%0.43SS*.SBendtrans68.321.1179.600000114.1
26V95.7Very high96.8Very high12 Ų1280.2 Ų80.27%0.07340%0.396CS..PPolyproline II helixtrans-70.1124177178.30000109K19 N23 R24 V96 P122 T125K19-V26 HydrophobicContact CB-CB 4.35Å; K19-V26 HydrophobicContact CB-CG1 4.34Å; K19-V26 HydrophobicContact CB-CG2 4.23Å; K19-V26 HydrophobicContact CD-CB 4.23Å; K19-V26 HydrophobicContact CG-CB 4.1Å; K19-V26 HydrophobicContact CG-CG2 4.15Å; N23-V26 HydrophobicContact CB-CG2 4.46Å; N23-V26 WeakPolarHBondContact ND2-CG2 3.2Å; N23-V26 VanDerWaalsContact O-CG2 3.31Å; N23-V26 WeakPolarHBondContact O-CG2 3.43Å; R24-V26 PolarHBondContact O-N 2.69Å; V26-V96 HydrophobicContact CB-CG2 4.38Å; V26-V96 HydrophobicContact CG1-CB 4.39Å; V26-V96 HydrophobicContact CG1-CG1 3.96Å; V26-V96 HydrophobicContact CG1-CG2 3.47Å; V26-V96 VanDerWaalsContact CG1-CG2 3.47Å; V26-V96 HydrophobicContact CG2-CG1 4.12Å; V26-V96 HydrophobicContact CG2-CG2 3.94Å; V26-P122 HydrophobicContact CB-CB 4.48Å; V26-P122 HydrophobicContact CG2-CB 4.12Å; V26-P122 HydrophobicContact CG2-CG 4.16Å; V26-T125 HydrophobicContact CG1-CG2 4.01Å
27P95.1Very high96.7Very high50 Ų5076.7 Ų76.733%0.32538%0.377SS..PPolyproline II helixtrans-66.8142.3173.628.5-32.8000109.5Q123P27-Q123 VanDerWaalsContact CG-C 3.48Å; P27-Q123 WeakPolarHBondContact CG-O 3.35Å
28D96.3Very high96.7Very high85 Ų8577.4 Ų77.446%0.45538%0.382SS..PPolyproline II helixtrans-64.7151.6178.8-80.4-9.6000112.9K19 R32K19-D28 IonicContact NZ-OD1 3.28Å; D28-R32 VanDerWaalsContact CB-CZ 3.4Å; D28-R32 VanDerWaalsContact CB-NH1 3.27Å; D28-R32 VanDerWaalsContact CG-NH1 3.32Å; D28-R32 IonicContact OD2-CZ 3.34Å; D28-R32 IonicContact OD2-NH1 2.9Å; D28-R32 PolarHBondContact OD2-NH1 2.75Å; D28-R32 IonicContact OD2-NH2 2.84Å; D28-R32 PolarHBondContact OD2-NH2 3.43Å
29P97Very high96.6Very high34 Ų3480.8 Ų80.822%0.22139%0.39CS..PPolyproline II helixtrans-62.5146.7176.227.8-35.1000112.3I31 R32 P93 T125P29-I31 HydrophobicContact CB-CG2 4.35Å; P29-R32 PolarHBondContact O-NE 3.01Å; P29-P93 HydrophobicContact CB-CG 3.65Å; P29-P93 HydrophobicContact CG-CG 4.44Å; P29-T125 VanDerWaalsContact CA-OG1 3.23Å; P29-T125 WeakPolarHBondContact CA-OG1 3.27Å; P29-T125 WeakPolarHBondContact CB-OG1 3.49Å
30K97.2Very high96.5Very high133 Ų13383.6 Ų83.658%0.57840%0.402SS*.SBendtrans-67.2-39.7176-174.663.2177.6-1800112.2R32 S62 E63 E66K30-R32 PolarHBondContact O-N 3.47Å; K30-S62 PolarHBondContact N-OG 3.09Å; K30-S62 VanDerWaalsContact N-OG 3.09Å; K30-E63 HydrophobicContact CB-CB 4.38Å; K30-E63 HydrophobicContact CB-CG 3.8Å; K30-E63 HydrophobicContact CG-CB 4.41Å; K30-E63 HydrophobicContact CG-CG 4.04Å; K30-E66 HydrophobicContact CG-CB 4.09Å; K30-E66 HydrophobicContact CG-CG 4.16Å
31I97.6Very high96.4Very high1 Ų181.5 Ų81.51%0.00539%0.387CS..  trans-70.3124.8170.9-176.3166.9000109.8P29 F34 L65 E66 I89 P93P29-I31 HydrophobicContact CB-CG2 4.35Å; I31-F34 HydrophobicContact CD1-CD1 4.09Å; I31-F34 HydrophobicContact CD1-CE1 3.94Å; I31-F34 HydrophobicContact CD1-CZ 4.32Å; I31-F34 HydrophobicContact CG1-CE1 4.34Å; I31-F34 HydrophobicContact CG1-CE2 4.44Å; I31-F34 HydrophobicContact CG1-CZ 4.22Å; I31-F34 HydrophobicContact CG2-CE1 4.27Å; I31-F34 HydrophobicContact CG2-CZ 3.88Å; I31-L65 HydrophobicContact CB-CB 4.36Å; I31-L65 HydrophobicContact CD1-CB 3.99Å; I31-L65 HydrophobicContact CG2-CB 4.21Å; I31-L65 HydrophobicContact CG2-CD1 4.35Å; I31-E66 HydrophobicContact CB-CB 4.16Å; I31-I89 HydrophobicContact CD1-CB 4.12Å; I31-I89 HydrophobicContact CD1-CG1 3.89Å; I31-I89 HydrophobicContact CD1-CG2 3.95Å; I31-P93 HydrophobicContact CG2-CG 3.88Å
32R96.6Very high96.4Very high156 Ų15675.9 Ų75.959%0.58937%0.374SS*.  trans-114.1-27.3178.5-61.3-57.6-167.21615.7113.3D28 P29 K30D28-R32 VanDerWaalsContact CB-CZ 3.4Å; D28-R32 VanDerWaalsContact CB-NH1 3.27Å; D28-R32 VanDerWaalsContact CG-NH1 3.32Å; D28-R32 IonicContact OD2-CZ 3.34Å; D28-R32 IonicContact OD2-NH1 2.9Å; D28-R32 PolarHBondContact OD2-NH1 2.75Å; D28-R32 IonicContact OD2-NH2 2.84Å; D28-R32 PolarHBondContact OD2-NH2 3.43Å; P29-R32 PolarHBondContact O-NE 3.01Å; K30-R32 PolarHBondContact O-N 3.47Å
33I97.7Very high96.3Very high92 Ų9268.4 Ų68.447%0.47234%0.342SS..  trans-119.3121.9-174.5-57.6171.5000107.9D35 L36 R69I33-D35 WeakPolarHBondContact CG2-O 3.45Å; I33-L36 HydrophobicContact CG2-CD2 3.79Å; I33-R69 WeakPolarHBondContact O-CD 3.35Å
34F98Very high96.2Very high39 Ų3970.2 Ų70.217%0.17135%0.352CS..  trans-99-24.8-178.3-70.2-95.5000112.9I31 R88 I89 H92I31-F34 HydrophobicContact CD1-CD1 4.09Å; I31-F34 HydrophobicContact CD1-CE1 3.94Å; I31-F34 HydrophobicContact CD1-CZ 4.32Å; I31-F34 HydrophobicContact CG1-CE1 4.34Å; I31-F34 HydrophobicContact CG1-CE2 4.44Å; I31-F34 HydrophobicContact CG1-CZ 4.22Å; I31-F34 HydrophobicContact CG2-CE1 4.27Å; I31-F34 HydrophobicContact CG2-CZ 3.88Å; F34-R88 CarbonylContact O-C 3.52Å; F34-R88 WeakPolarHBondContact O-CA 3.23Å; F34-I89 HydrophobicContact CD1-CB 3.94Å; F34-I89 HydrophobicContact CD1-CG2 4.13Å; F34-I89 HydrophobicContact CE1-CG2 4.46Å; F34-I89 PolarHBondContact O-N 2.76Å; F34-H92 AromaticContact CD1-CE1 3.41Å; F34-H92 VanDerWaalsContact CD1-CE1 3.41Å; F34-H92 WeakPolarHBondContact CD1-CE1 3.48Å; F34-H92 AromaticContact CD1-ND1 3.67Å; F34-H92 AromaticContact CD1-NE2 3.96Å; F34-H92 AromaticContact CD2-CE1 3.92Å; F34-H92 HydrophobicContact CE1-CB 4.48Å; F34-H92 AromaticContact CE1-CE1 3.52Å; F34-H92 AromaticContact CE1-CG 3.84Å; F34-H92 AromaticContact CE1-ND1 3.24Å; F34-H92 WeakPolarHBondContact CE1-ND1 3.21Å; F34-H92 AromaticContact CE2-ND1 3.81Å; F34-H92 AromaticContact CG-CE1 3.64Å; F34-H92 AromaticContact CZ-CE1 3.82Å; F34-H92 AromaticContact CZ-ND1 3.33Å; F34-H92 VanDerWaalsContact CZ-ND1 3.33Å; F34-H92 WeakPolarHBondContact CZ-ND1 3.16Å
35D97.5Very high96.2Very high47 Ų4763 Ų6325%0.25133%0.326SS..EExtended strand (participates in β ladder)trans-114.2133.9179.6-64.2-95.7000111.4I33 K39 H86 V87 R88I33-D35 WeakPolarHBondContact CG2-O 3.45Å; D35-K39 HydrophobicContact CB-CB 4.5Å; D35-H86 IonicContact OD1-CE1 2.73Å; D35-H86 IonicContact OD1-NE2 2.67Å; D35-H86 PolarHBondContact OD1-NE2 3.46Å; D35-H86 VanDerWaalsContact OD1-NE2 3.09Å; D35-V87 CarbonylContact C-O 3.6Å; D35-V87 VanDerWaalsContact CA-O 3.3Å; D35-V87 WeakPolarHBondContact CA-O 3.42Å; D35-R88 IonicContact OD1-CZ 3.46Å; D35-R88 VanDerWaalsContact OD1-CZ 3.28Å; D35-R88 IonicContact OD1-NE 3.62Å; D35-R88 PolarHBondContact OD1-NE 2.92Å; D35-R88 IonicContact OD1-NH2 3.93Å; D35-R88 PolarHBondContact OD1-NH2 3.45Å; D35-R88 IonicContact OD2-NE 3.72Å
36L96.5Very high96.4Very high17 Ų1759.5 Ų59.59%0.08929%0.29CS..EExtended strand (participates in β ladder)trans-132.9165.3-178.6-52.6175000112.7I33 R69 N73 H86 V87I33-L36 HydrophobicContact CG2-CD2 3.79Å; L36-R69 HydrophobicContact CD1-CG 3.56Å; L36-R69 HydrophobicContact CG-CG 4.26Å; L36-N73 HydrophobicContact CD1-CB 3.73Å; L36-H86 WeakPolarHBondContact O-CA 3.31Å; L36-H86 PolarHBondContact O-CD2 2.92Å; L36-V87 HydrophobicContact CB-CB 4.21Å; L36-V87 HydrophobicContact CD1-CB 4.44Å; L36-V87 PolarHBondContact N-O 3.15Å; L36-V87 PolarHBondContact O-N 3.12Å
37G96.2Very high96.4Very high23 Ų2359.6 Ų59.624%0.23729%0.291CS..EExtended strand (participates in β ladder)trans72.3-150.9-177.500000111.3K39 F85G37-K39 VanDerWaalsContact C-N 3.28Å; G37-K39 PolarHBondContact O-N 3.4Å; G37-F85 CarbonylContact C-O 3.57Å; G37-F85 WeakPolarHBondContact CA-O 3.3Å
38K96.8Very high96.5Very high70 Ų7057.4 Ų57.430%0.30428%0.277SS..  trans-79.171.5-178.1-163.5-178.2178.1-166.40111.4K40 A41 E45 F46 D83 F85K38-K40 PolarHBondContact O-N 3.37Å; K38-A41 HydrophobicContact CB-CB 4.31Å; K38-A41 HydrophobicContact CD-CB 4.02Å; K38-A41 HydrophobicContact CG-CB 3.96Å; K38-A41 WeakPolarHBondContact O-CB 3.32Å; K38-A41 PolarHBondContact O-N 3.18Å; K38-E45 WeakPolarHBondContact CE-OE2 3.39Å; K38-E45 IonicContact NZ-OE1 3.5Å; K38-E45 PolarHBondContact NZ-OE1 3.31Å; K38-E45 IonicContact NZ-OE2 3.01Å; K38-E45 PolarHBondContact NZ-OE2 2.81Å; K38-F46 HydrophobicContact CB-CE2 4.17Å; K38-F46 HydrophobicContact CB-CZ 4.26Å; K38-F46 HydrophobicContact CD-CZ 4.28Å; K38-D83 HydrophobicContact CD-CB 4.37Å; K38-D83 VanDerWaalsContact CD-O 3.27Å; K38-D83 WeakPolarHBondContact CD-O 3.14Å; K38-F85 PolarHBondContact N-O 3.07Å
39K95.3Very high96.6Very high132 Ų13253.4 Ų53.457%0.57426%0.255SS*.THydrogen-bonded Turntrans-61.8-24.2178.465-176178.3-179.20114.4D35 G37 A41D35-K39 HydrophobicContact CB-CB 4.5Å; G37-K39 VanDerWaalsContact C-N 3.28Å; G37-K39 PolarHBondContact O-N 3.4Å; K39-A41 VanDerWaalsContact C-N 3.3Å
40K96Very high96.7Very high191 Ų19151.8 Ų51.883%0.8325%0.245SC*.THydrogen-bonded Turntrans-81.4-5175.1-67.9-172.3176.2-175.10113.6K38 T42K38-K40 PolarHBondContact O-N 3.37Å; K40-T42 PolarHBondContact O-N 3.11Å
41A95.8Very high96.7Very high2 Ų247.1 Ų47.12%0.01723%0.225CC..  trans-56.5137.6174.400000110K38 K39 E45 F46 R139K38-A41 HydrophobicContact CB-CB 4.31Å; K38-A41 HydrophobicContact CD-CB 4.02Å; K38-A41 HydrophobicContact CG-CB 3.96Å; K38-A41 WeakPolarHBondContact O-CB 3.32Å; K38-A41 PolarHBondContact O-N 3.18Å; K39-A41 VanDerWaalsContact C-N 3.3Å; A41-E45 WeakPolarHBondContact CA-OE2 3.49Å; A41-E45 HydrophobicContact CB-CB 4.32Å; A41-E45 WeakPolarHBondContact CB-OE2 3.47Å; A41-F46 HydrophobicContact CB-CD2 3.64Å; A41-F46 HydrophobicContact CB-CE2 3.2Å; A41-F46 HydrophobicContact CB-CZ 3.87Å; A41-R139 PolarHBondContact O-NH2 3.3Å
42T96Very high96.8Very high73 Ų7347 Ų4745%0.44823%0.225SC..  trans-65.9166.2177.660.40000110.3K40 D44 E45 R139 G194K40-T42 PolarHBondContact O-N 3.11Å; T42-D44 PolarHBondContact O-N 3.47Å; T42-E45 PolarHBondContact O-N 3.39Å; T42-R139 PolarHBondContact O-NH1 3.44Å; T42-G194 CarbonylContact C-O 3.36Å; T42-G194 WeakPolarHBondContact CA-O 3.37Å
43V95.4Very high96.8Very high1 Ų140.1 Ų40.11%0.00620%0.2CC..THydrogen-bonded Turntrans-60.2-32.7176.657.60000112.2E45 W171 T174 Y181 P192 G194 N196 A197V43-E45 PolarHBondContact O-N 3Å; V43-W171 PolarHBondContact O-NE1 2.9Å; V43-T174 HydrophobicContact CG2-CG2 3.4Å; V43-T174 VanDerWaalsContact CG2-CG2 3.4Å; V43-Y181 WeakPolarHBondContact CG1-OH 3.2Å; V43-Y181 HydrophobicContact CG2-CE2 3.94Å; V43-Y181 WeakPolarHBondContact CG2-OH 3.42Å; V43-P192 HydrophobicContact CG1-CB 4.04Å; V43-G194 PolarHBondContact N-O 3.16Å; V43-N196 WeakPolarHBondContact CB-O 3.32Å; V43-N196 WeakPolarHBondContact CG1-O 3.41Å; V43-A197 HydrophobicContact CG1-CB 4.3Å; V43-A197 HydrophobicContact CG2-CB 4.23Å
44D94.3Very high96.9Very high42 Ų4235.8 Ų35.823%0.22518%0.178CC..THydrogen-bonded Turntrans-76.1-21.3-177-66.1-25.3000114.1T42 Y181 R185T42-D44 PolarHBondContact O-N 3.47Å; D44-Y181 WeakPolarHBondContact OD1-CE1 3.38Å; D44-Y181 PolarHBondContact OD1-OH 3Å; D44-R185 VanDerWaalsContact CG-CZ 3.4Å; D44-R185 IonicContact OD1-CZ 3.31Å; D44-R185 IonicContact OD1-NE 3.34Å; D44-R185 PolarHBondContact OD1-NE 3.5Å; D44-R185 IonicContact OD1-NH2 2.79Å; D44-R185 IonicContact OD2-CZ 3.77Å; D44-R185 VanDerWaalsContact OD2-CZ 3.31Å; D44-R185 IonicContact OD2-NE 3.81Å; D44-R185 PolarHBondContact OD2-NE 3.37Å; D44-R185 IonicContact OD2-NH2 3.61Å; D44-R185 PolarHBondContact OD2-NH2 2.7Å
45E95.8Very high96.8Very high49 Ų4936.7 Ų36.723%0.22918%0.184CC..THydrogen-bonded Turntrans-73.5-31.7-172.1-167.6177.6175.200113.1K38 A41 T42 V43 P47K38-E45 WeakPolarHBondContact CE-OE2 3.39Å; K38-E45 IonicContact NZ-OE1 3.5Å; K38-E45 PolarHBondContact NZ-OE1 3.31Å; K38-E45 IonicContact NZ-OE2 3.01Å; K38-E45 PolarHBondContact NZ-OE2 2.81Å; A41-E45 WeakPolarHBondContact CA-OE2 3.49Å; A41-E45 HydrophobicContact CB-CB 4.32Å; A41-E45 WeakPolarHBondContact CB-OE2 3.47Å; T42-E45 PolarHBondContact O-N 3.39Å; V43-E45 PolarHBondContact O-N 3Å; E45-P47 WeakPolarHBondContact O-CD 3.39Å
46F96.8Very high96.8Very high0 Ų037 Ų370%018%0.184CC..  trans-127.183.8-170.4-63.6-31.2000111.8K38 A41 T84 H86 R139 V140 K141 G172K38-F46 HydrophobicContact CB-CE2 4.17Å; K38-F46 HydrophobicContact CB-CZ 4.26Å; K38-F46 HydrophobicContact CD-CZ 4.28Å; A41-F46 HydrophobicContact CB-CD2 3.64Å; A41-F46 HydrophobicContact CB-CE2 3.2Å; A41-F46 HydrophobicContact CB-CZ 3.87Å; F46-T84 WeakPolarHBondContact CE1-O 3.45Å; F46-T84 VanDerWaalsContact CZ-C 3.49Å; F46-T84 WeakPolarHBondContact CZ-O 3.4Å; F46-H86 HydrophobicContact CD2-CB 4.17Å; F46-H86 HydrophobicContact CE2-CB 4.26Å; F46-R139 HydrophobicContact CB-CB 3.99Å; F46-R139 HydrophobicContact CB-CG 3.8Å; F46-R139 HydrophobicContact CD2-CG 4.07Å; F46-R139 HydrophobicContact CG-CG 4.38Å; F46-V140 CarbonylContact C-O 3.56Å; F46-K141 HydrophobicContact CD1-CG 4.08Å; F46-K141 HydrophobicContact CE1-CG 4.37Å; F46-G172 WeakPolarHBondContact O-CA 3.32Å
47P96.7Very high96.8Very high14 Ų1440.1 Ų40.19%0.09120%0.197CC..  trans-80.9-29.4-173.234-39000113.7E45 W171 G172 R178E45-P47 WeakPolarHBondContact O-CD 3.39Å; P47-W171 HydrophobicContact CB-CD2 3.74Å; P47-W171 HydrophobicContact CB-CE3 3.71Å; P47-W171 HydrophobicContact CB-CH2 3.53Å; P47-W171 HydrophobicContact CB-CZ2 3.55Å; P47-W171 HydrophobicContact CB-CZ3 3.6Å; P47-W171 HydrophobicContact CG-CH2 4.39Å; P47-W171 HydrophobicContact CG-CZ2 4.5Å; P47-G172 PolarHBondContact O-N 3.43Å; P47-R178 VanDerWaalsContact CB-NH2 3.32Å
48L97.7Very high96.9Very high5 Ų539 Ų393%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-76.5134179.2178.763.4000109.6V50 R139 V140 D142 K145 V167L48-V50 HydrophobicContact CD1-CG2 4.5Å; L48-V50 HydrophobicContact CD2-CG2 4.37Å; L48-V50 HydrophobicContact CG-CG2 4.26Å; L48-R139 CarbonylContact O-C 3.54Å; L48-R139 WeakPolarHBondContact O-CA 3.3Å; L48-V140 HydrophobicContact CB-CG1 4.05Å; L48-V140 WeakPolarHBondContact CB-O 3.17Å; L48-V140 HydrophobicContact CD2-CG1 3.71Å; L48-V140 HydrophobicContact CG-CG1 4.11Å; L48-V140 PolarHBondContact N-O 2.86Å; L48-V140 PolarHBondContact O-N 3.19Å; L48-D142 WeakPolarHBondContact CB-OD1 3.47Å; L48-K145 HydrophobicContact CD2-CB 3.54Å; L48-K145 HydrophobicContact CD2-CG 3.94Å; L48-V167 HydrophobicContact CD1-CG1 3.88Å
49C97.5Very high96.9Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-125.9134.3168.1-164.80000112.6H51 V138 S168 G172C49-H51 PolarHBondContact SG-CE1 2.99Å; C49-V138 CarbonylContact C-O 3.59Å; C49-V138 VanDerWaalsContact CA-O 3.32Å; C49-V138 WeakPolarHBondContact CA-O 3.47Å; C49-V138 PolarHBondContact SG-O 2.9Å; C49-S168 WeakPolarHBondContact O-CB 3.3Å; C49-S168 PolarHBondContact O-N 3.12Å; C49-G172 WeakPolarHBondContact CB-O 3.35Å; C49-G172 PolarHBondContact SG-O 3.47Å; C49-G172 VanDerWaalsContact SG-O 3.34Å
50V98.4Very high97Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-126.1132.7174.3-166.90000109L48 V138 V148 I149 L152 I165 L166 V167L48-V50 HydrophobicContact CD1-CG2 4.5Å; L48-V50 HydrophobicContact CD2-CG2 4.37Å; L48-V50 HydrophobicContact CG-CG2 4.26Å; V50-V138 PolarHBondContact N-O 2.74Å; V50-V138 PolarHBondContact O-N 2.89Å; V50-V148 HydrophobicContact CB-CG1 3.65Å; V50-V148 HydrophobicContact CG1-CG1 4.29Å; V50-V148 HydrophobicContact CG2-CB 4.3Å; V50-V148 HydrophobicContact CG2-CG1 3.75Å; V50-I149 HydrophobicContact CG1-CG1 4.42Å; V50-L152 HydrophobicContact CB-CD1 4.05Å; V50-L152 HydrophobicContact CG1-CD1 3.64Å; V50-I165 HydrophobicContact CG1-CG2 3.58Å; V50-L166 WeakPolarHBondContact CA-O 3.08Å; V50-L166 WeakPolarHBondContact CG1-O 3.18Å; V50-V167 HydrophobicContact CG1-CG2 4.41Å; V50-V167 HydrophobicContact CG2-CG2 4.45Å
51H98.5Very high97.1Very high35 Ų3521.7 Ų21.716%0.16211%0.112CC..EExtended strand (participates in β ladder)trans-112.3143.6-177.7-62.5-57.2000110.9C49 V53 V134 I136 S137 I165 L166C49-H51 PolarHBondContact SG-CE1 2.99Å; H51-V53 HydrophobicContact CB-CG2 4.01Å; H51-V134 HydrophobicContact CB-CG1 3.88Å; H51-V134 HydrophobicContact CB-CG2 4.4Å; H51-I136 CarbonylContact C-O 3.57Å; H51-I136 WeakPolarHBondContact CA-O 3.39Å; H51-S137 PolarHBondContact CE1-OG 3.23Å; H51-S137 WeakPolarHBondContact ND1-CB 3.38Å; H51-S137 PolarHBondContact ND1-OG 2.7Å; H51-I165 CarbonylContact O-C 3.5Å; H51-I165 WeakPolarHBondContact O-CA 3.29Å; H51-L166 PolarHBondContact N-O 3.03Å; H51-L166 PolarHBondContact O-N 3.36Å
52L98.5Very high97.2Very high0 Ų021.7 Ų21.70%011%0.112CC..EExtended strand (participates in β ladder)trans-103.2123.6162.6-177.468.8000107.9L135 I136 L152 K156 F159 Q163 H164 I165L52-L135 WeakPolarHBondContact O-CB 3.07Å; L52-L135 PolarHBondContact O-N 3.48Å; L52-I136 HydrophobicContact CB-CB 4.12Å; L52-I136 HydrophobicContact CD2-CD1 4.06Å; L52-I136 HydrophobicContact CD2-CG1 4.27Å; L52-I136 PolarHBondContact N-O 2.6Å; L52-I136 PolarHBondContact O-N 3.2Å; L52-L152 HydrophobicContact CB-CD1 4.36Å; L52-L152 HydrophobicContact CB-CD2 4.09Å; L52-K156 HydrophobicContact CD1-CB 3.85Å; L52-K156 HydrophobicContact CD2-CB 4.37Å; L52-F159 HydrophobicContact CD2-CD2 3.91Å; L52-F159 HydrophobicContact CD2-CE2 3.64Å; L52-Q163 HydrophobicContact CD1-CB 3.74Å; L52-Q163 HydrophobicContact CD1-CG 4.45Å; L52-Q163 HydrophobicContact CG-CB 4.28Å; L52-H164 WeakPolarHBondContact CA-O 3.3Å; L52-I165 HydrophobicContact CD1-CG1 3.89Å
53V98.3Very high97.3Very high10 Ų1020.8 Ų20.86%0.06110%0.103CC..EExtended strand (participates in β ladder)trans-122.8139.2-168.9-177.50000110.3H51 G132 V134 Q163 H164 L166H51-V53 HydrophobicContact CB-CG2 4.01Å; V53-G132 VanDerWaalsContact CG1-O 3.3Å; V53-G132 WeakPolarHBondContact CG1-O 3.1Å; V53-V134 HydrophobicContact CG2-CG2 4.07Å; V53-Q163 CarbonylContact O-C 3.37Å; V53-Q163 WeakPolarHBondContact O-CA 3.17Å; V53-Q163 VanDerWaalsContact O-CB 3.31Å; V53-Q163 WeakPolarHBondContact O-CB 3.48Å; V53-H164 PolarHBondContact N-O 2.88Å; V53-H164 PolarHBondContact O-N 2.99Å; V53-L166 HydrophobicContact CB-CD1 4.31Å; V53-L166 HydrophobicContact CG2-CD1 3.75Å; V53-L166 HydrophobicContact CG2-CG 4.19Å
54S97.9Very high97.4Very high1 Ų121.6 Ų21.61%0.00711%0.11CC..EExtended strand (participates in β ladder)trans-76.8134174.8-166.10000111.3E56 G132 Q133S54-E56 PolarHBondContact OG-N 3.41Å; S54-E56 PolarHBondContact OG-O 3.16Å; S54-G132 PolarHBondContact O-N 2.89Å; S54-Q133 PolarHBondContact N-O 2.84Å
55D97.3Very high97.6Very high59 Ų5919.6 Ų19.632%0.31610%0.099SC..  trans-97.60171.4-155.124.1000112.1K162 H164D55-K162 HydrophobicContact CB-CB 4.13Å; D55-K162 HydrophobicContact CB-CG 4.31Å; D55-K162 VanDerWaalsContact CB-O 3.25Å; D55-K162 WeakPolarHBondContact CB-O 3.44Å; D55-K162 PolarHBondContact N-O 2.79Å; D55-K162 WeakPolarHBondContact OD2-CD 3.45Å; D55-K162 IonicContact OD2-NZ 2.7Å; D55-H164 IonicContact OD1-CD2 2.81Å; D55-H164 IonicContact OD1-NE2 3.82Å; D55-H164 IonicContact OD2-CD2 3.69Å; D55-H164 IonicContact OD2-CE1 3.41Å; D55-H164 IonicContact OD2-NE2 3.09Å; D55-H164 PolarHBondContact OD2-NE2 3.34Å
56E96.4Very high97.7Very high53 Ų5318.6 Ų18.625%0.2489%0.094CC..SBendtrans-128.6151.9-174.9-67.8-174.8-150.200112.2R10 S54 E58 G161 K162R10-E56 IonicContact CZ-OE2 2.87Å; R10-E56 IonicContact NE-OE2 3.53Å; R10-E56 IonicContact NH2-OE1 3.13Å; R10-E56 PolarHBondContact NH2-OE1 2.86Å; R10-E56 IonicContact NH2-OE2 3.24Å; R10-E56 PolarHBondContact NH2-OE2 2.86Å; S54-E56 PolarHBondContact OG-N 3.41Å; S54-E56 PolarHBondContact OG-O 3.16Å; E56-E58 HydrophobicContact CB-CG 4.28Å; E56-G161 VanDerWaalsContact CD-CA 3.47Å; E56-G161 WeakPolarHBondContact OE1-CA 3.47Å; E56-K162 PolarHBondContact OE1-N 3.22Å
57F97.1Very high97.7Very high83 Ų8320.5 Ų20.536%0.36411%0.11SC..  trans-88.699.9169.2-178.4-120.7000110.5C12 V129 H130 I131C12-F57 HydrophobicContact CB-CD1 3.89Å; C12-F57 HydrophobicContact CB-CE1 3.24Å; C12-F57 HydrophobicContact CB-CE2 3.94Å; C12-F57 HydrophobicContact CB-CZ 3.28Å; F57-V129 WeakPolarHBondContact CA-O 3.38Å; F57-V129 WeakPolarHBondContact CD2-O 3.41Å; F57-H130 AromaticContact CD2-CE1 3.99Å; F57-H130 AromaticContact CD2-ND1 3.66Å; F57-H130 AromaticContact CE2-CE1 3.36Å; F57-H130 WeakPolarHBondContact CE2-CE1 3.19Å; F57-H130 AromaticContact CE2-ND1 3.54Å; F57-H130 AromaticContact CE2-NE2 3.77Å; F57-I131 HydrophobicContact CB-CG1 4.39Å
58E97.5Very high97.8Very high0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-148.7176.5-169.360.6175-166.700113.1R10 C12 E56 V129 P160R10-E58 HydrophobicContact CG-CB 4.44Å; R10-E58 IonicContact NE-OE2 3.37Å; R10-E58 CarbonylContact O-C 3.49Å; R10-E58 VanDerWaalsContact O-CA 3.3Å; R10-E58 WeakPolarHBondContact O-CA 3.43Å; R10-E58 WeakPolarHBondContact O-CB 3.49Å; C12-E58 PolarHBondContact SG-O 2.85Å; E56-E58 HydrophobicContact CB-CG 4.28Å; E58-V129 HydrophobicContact CG-CG2 3.63Å; E58-V129 PolarHBondContact N-O 3.02Å; E58-V129 WeakPolarHBondContact O-CG2 3.45Å; E58-V129 PolarHBondContact O-N 3.27Å; E58-P160 WeakPolarHBondContact OE2-CB 3.24Å; E58-P160 WeakPolarHBondContact OE2-CG 3.35Å
59Q98Very high97.8Very high14 Ų1420.9 Ų20.97%0.06511%0.11CC..EExtended strand (participates in β ladder)trans-109.4119.3172.3-51.1-176.326.500109.4Y9 R10 Y11 C12 V126 A127 R128Y9-Q59 VanDerWaalsContact O-CB 3.3Å; Y9-Q59 WeakPolarHBondContact O-CB 3.47Å; Y9-Q59 VanDerWaalsContact O-CD 3.24Å; Y9-Q59 WeakPolarHBondContact O-CG 3.41Å; Y9-Q59 PolarHBondContact O-OE1 2.88Å; R10-Q59 PolarHBondContact O-N 2.87Å; Y11-Q59 PolarHBondContact O-NE2 2.82Å; C12-Q59 HydrophobicContact CB-CG 4.48Å; C12-Q59 WeakPolarHBondContact SG-CG 3.15Å; Q59-V126 HydrophobicContact CB-CB 4.2Å; Q59-V126 HydrophobicContact CB-CG2 4.03Å; Q59-V126 HydrophobicContact CG-CG2 4.41Å; Q59-A127 CarbonylContact C-O 3.6Å; Q59-A127 VanDerWaalsContact CA-O 3.32Å; Q59-A127 WeakPolarHBondContact CA-O 3.26Å; Q59-R128 HydrophobicContact CG-CG 4.42Å
60I97.7Very high97.9Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-95.6125.1174.4-61.1-177000108.7A64 L65 V126 A127 V129 L135 F159I60-A64 HydrophobicContact CG2-CB 4.01Å; I60-L65 HydrophobicContact CG2-CD2 3.79Å; I60-L65 HydrophobicContact CG2-CG 3.83Å; I60-V126 CarbonylContact O-C 3.36Å; I60-V126 VanDerWaalsContact O-CA 3.29Å; I60-V126 WeakPolarHBondContact O-CA 3.31Å; I60-A127 PolarHBondContact N-O 2.97Å; I60-A127 PolarHBondContact O-N 3.06Å; I60-V129 HydrophobicContact CD1-CG1 4Å; I60-V129 HydrophobicContact CD1-CG2 3.92Å; I60-V129 HydrophobicContact CG1-CG1 4.28Å; I60-V129 HydrophobicContact CG1-CG2 3.95Å; I60-L135 HydrophobicContact CD1-CD1 3.56Å; I60-L135 HydrophobicContact CD1-CD2 3.63Å; I60-L135 HydrophobicContact CD1-CG 4.22Å; I60-F159 HydrophobicContact CD1-CD1 3.96Å; I60-F159 HydrophobicContact CD1-CE1 4.31Å; I60-F159 HydrophobicContact CD1-CG 4.2Å; I60-F159 HydrophobicContact CG1-CD1 4.44Å; I60-F159 HydrophobicContact CG2-CD1 3.44Å; I60-F159 VanDerWaalsContact CG2-CD1 3.44Å; I60-F159 HydrophobicContact CG2-CE1 3.48Å; I60-F159 VanDerWaalsContact CG2-CE1 3.48Å
61S97.8Very high97.9Very high14 Ų1426.3 Ų26.310%0.09814%0.139CC..EExtended strand (participates in β ladder)trans-72.9151.8-177.998.40000112.9R3 E63 A64 L65R3-S61 PolarHBondContact NH2-OG 3.25Å; S61-E63 WeakPolarHBondContact CB-OE2 3.34Å; S61-E63 PolarHBondContact O-N 3.06Å; S61-E63 PolarHBondContact OG-N 3.43Å; S61-E63 PolarHBondContact OG-OE2 3.05Å; S61-A64 WeakPolarHBondContact O-CB 3.48Å; S61-A64 PolarHBondContact O-N 3.19Å; S61-A64 PolarHBondContact OG-N 2.9Å; S61-A64 VanDerWaalsContact OG-N 3.12Å; S61-L65 PolarHBondContact O-N 2.81Å
62S97.7Very high97.8Very high2 Ų224.6 Ų24.61%0.01413%0.132CC..Hα-helixtrans-58.3-31.3176.970.10000113K30 E66 T125K30-S62 PolarHBondContact N-OG 3.09Å; K30-S62 VanDerWaalsContact N-OG 3.09Å; S62-E66 PolarHBondContact O-N 3.36Å; S62-T125 WeakPolarHBondContact CB-O 3.44Å; S62-T125 PolarHBondContact N-O 3.47Å; S62-T125 PolarHBondContact OG-O 3.35Å
63E97.2Very high97.8Very high55 Ų5526.8 Ų26.826%0.25714%0.143SC..Hα-helixtrans-73.3-36.2175.2-52.982.8167.500112.5R3 K30 S61 L65 E66 A67R3-E63 IonicContact CZ-OE1 3.57Å; R3-E63 IonicContact CZ-OE2 3.47Å; R3-E63 IonicContact NE-OE1 2.74Å; R3-E63 PolarHBondContact NE-OE1 3.29Å; R3-E63 IonicContact NE-OE2 3.24Å; R3-E63 IonicContact NH1-OE1 3.74Å; R3-E63 IonicContact NH1-OE2 3.83Å; R3-E63 PolarHBondContact NH1-OE2 3.11Å; R3-E63 IonicContact NH2-OE2 2.8Å; R3-E63 PolarHBondContact NH2-OE2 2.93Å; K30-E63 HydrophobicContact CB-CB 4.38Å; K30-E63 HydrophobicContact CB-CG 3.8Å; K30-E63 HydrophobicContact CG-CB 4.41Å; K30-E63 HydrophobicContact CG-CG 4.04Å; S61-E63 WeakPolarHBondContact CB-OE2 3.34Å; S61-E63 PolarHBondContact O-N 3.06Å; S61-E63 PolarHBondContact OG-N 3.43Å; S61-E63 PolarHBondContact OG-OE2 3.05Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-E66 PolarHBondContact O-N 3.42Å; E63-A67 WeakPolarHBondContact O-CB 3.3Å; E63-A67 PolarHBondContact O-N 3.38Å
64A97.7Very high97.7Very high17 Ų1734 Ų3414%0.1417%0.174CC..Hα-helixtrans-65.3-41.5173.400000110.4I60 S61 A67 A68 K158 F159I60-A64 HydrophobicContact CG2-CB 4.01Å; S61-A64 WeakPolarHBondContact O-CB 3.48Å; S61-A64 PolarHBondContact O-N 3.19Å; S61-A64 PolarHBondContact OG-N 2.9Å; S61-A64 VanDerWaalsContact OG-N 3.12Å; A64-A67 PolarHBondContact O-N 3.09Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3.07Å; A64-K158 WeakPolarHBondContact CB-O 3.48Å; A64-F159 HydrophobicContact CB-CD1 4.22Å; A64-F159 HydrophobicContact CB-CE1 4.43Å
65L98.1Very high97.8Very high0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-59.2-46.6172.3-67.5173.5000111.7I31 I60 S61 E63 A68 R69 I89 V91 P93 A127 F159I31-L65 HydrophobicContact CB-CB 4.36Å; I31-L65 HydrophobicContact CD1-CB 3.99Å; I31-L65 HydrophobicContact CG2-CB 4.21Å; I31-L65 HydrophobicContact CG2-CD1 4.35Å; I60-L65 HydrophobicContact CG2-CD2 3.79Å; I60-L65 HydrophobicContact CG2-CG 3.83Å; S61-L65 PolarHBondContact O-N 2.81Å; E63-L65 VanDerWaalsContact C-N 3.34Å; L65-A68 PolarHBondContact O-N 2.81Å; L65-R69 WeakPolarHBondContact O-CB 3.49Å; L65-R69 PolarHBondContact O-N 2.85Å; L65-I89 HydrophobicContact CD2-CG2 4.09Å; L65-V91 HydrophobicContact CD1-CG2 4.17Å; L65-V91 HydrophobicContact CD2-CG2 3.41Å; L65-V91 VanDerWaalsContact CD2-CG2 3.41Å; L65-V91 HydrophobicContact CG-CG2 4.45Å; L65-P93 HydrophobicContact CD1-CB 4.36Å; L65-P93 HydrophobicContact CD1-CG 4.38Å; L65-A127 HydrophobicContact CD1-CB 4.11Å; L65-F159 HydrophobicContact CD2-CE1 3.75Å; L65-F159 HydrophobicContact CD2-CZ 3.92Å; L65-F159 HydrophobicContact CG-CE1 4.46Å
66E98.1Very high97.8Very high29 Ų2933.7 Ų33.714%0.13617%0.169CC..Hα-helixtrans-64.8-40.9178.2-177.957.9-163.900112.3K30 I31 S62 E63 R69 I70K30-E66 HydrophobicContact CG-CB 4.09Å; K30-E66 HydrophobicContact CG-CG 4.16Å; I31-E66 HydrophobicContact CB-CB 4.16Å; S62-E66 PolarHBondContact O-N 3.36Å; E63-E66 PolarHBondContact O-N 3.42Å; E66-R69 WeakPolarHBondContact O-CB 3.06Å; E66-R69 PolarHBondContact O-N 3.41Å; E66-R69 IonicContact OE1-CZ 3.46Å; E66-R69 IonicContact OE1-NE 2.69Å; E66-R69 PolarHBondContact OE1-NE 3.38Å; E66-R69 IonicContact OE1-NH2 3.66Å; E66-R69 PolarHBondContact OE1-NH2 3.32Å; E66-R69 IonicContact OE2-CZ 3.82Å; E66-R69 IonicContact OE2-NE 2.83Å; E66-R69 PolarHBondContact OE2-NE 3.43Å; E66-R69 IonicContact OE2-NH2 2.7Å; E66-I70 HydrophobicContact CG-CD1 4.02Å; E66-I70 VanDerWaalsContact O-CG1 3.32Å; E66-I70 WeakPolarHBondContact O-CG1 3.5Å; E66-I70 PolarHBondContact O-N 3.04Å; E66-I70 WeakPolarHBondContact OE1-CD1 3.37Å
67A98.3Very high97.8Very high40 Ų4033.7 Ų33.733%0.33117%0.172SC..Hα-helixtrans-64.8-44.6176.700000112E63 A64 R69 I70 C71 K158E63-A67 WeakPolarHBondContact O-CB 3.3Å; E63-A67 PolarHBondContact O-N 3.38Å; A64-A67 PolarHBondContact O-N 3.09Å; A67-R69 VanDerWaalsContact C-N 3.31Å; A67-R69 PolarHBondContact O-N 2.89Å; A67-I70 PolarHBondContact O-N 2.96Å; A67-C71 VanDerWaalsContact O-CB 3.25Å; A67-C71 WeakPolarHBondContact O-CB 3.4Å; A67-C71 PolarHBondContact O-N 2.95Å; A67-K158 HydrophobicContact CB-CB 4.3Å; A67-K158 HydrophobicContact CB-CD 4.43Å; A67-K158 HydrophobicContact CB-CG 4.25Å
68A98.2Very high97.9Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-62.1-41.1176.400000111.4A64 L65 C71 A72 I136 S155 K158 F159A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3.07Å; L65-A68 PolarHBondContact O-N 2.81Å; A68-C71 PolarHBondContact O-N 3.35Å; A68-A72 PolarHBondContact O-N 2.79Å; A68-I136 HydrophobicContact CB-CD1 4.08Å; A68-S155 PolarHBondContact O-OG 2.79Å; A68-K158 HydrophobicContact CB-CB 3.99Å; A68-K158 HydrophobicContact CB-CG 4.44Å; A68-F159 HydrophobicContact CB-CE1 3.74Å; A68-F159 HydrophobicContact CB-CE2 3.8Å; A68-F159 HydrophobicContact CB-CZ 3.31Å
69R98.4Very high97.8Very high27 Ų2741.2 Ų41.210%0.10221%0.214CC..Hα-helixtrans-60.3-53.6176.3-177.7-159.975.672.5-1.4111.5I33 L36 L65 E66 A67 C71 A72 N73 I89I33-R69 WeakPolarHBondContact O-CD 3.35Å; L36-R69 HydrophobicContact CD1-CG 3.56Å; L36-R69 HydrophobicContact CG-CG 4.26Å; L65-R69 WeakPolarHBondContact O-CB 3.49Å; L65-R69 PolarHBondContact O-N 2.85Å; E66-R69 WeakPolarHBondContact O-CB 3.06Å; E66-R69 PolarHBondContact O-N 3.41Å; E66-R69 IonicContact OE1-CZ 3.46Å; E66-R69 IonicContact OE1-NE 2.69Å; E66-R69 PolarHBondContact OE1-NE 3.38Å; E66-R69 IonicContact OE1-NH2 3.66Å; E66-R69 PolarHBondContact OE1-NH2 3.32Å; E66-R69 IonicContact OE2-CZ 3.82Å; E66-R69 IonicContact OE2-NE 2.83Å; E66-R69 PolarHBondContact OE2-NE 3.43Å; E66-R69 IonicContact OE2-NH2 2.7Å; A67-R69 VanDerWaalsContact C-N 3.31Å; A67-R69 PolarHBondContact O-N 2.89Å; R69-C71 VanDerWaalsContact C-N 3.26Å; R69-C71 PolarHBondContact O-N 3.27Å; R69-A72 PolarHBondContact O-N 3.49Å; R69-N73 WeakPolarHBondContact O-CB 3.47Å; R69-N73 PolarHBondContact O-N 2.85Å; R69-I89 HydrophobicContact CB-CD1 3.99Å; R69-I89 HydrophobicContact CB-CG1 4.22Å; R69-I89 HydrophobicContact CG-CD1 4.25Å; R69-I89 HydrophobicContact CG-CG1 4.16Å
70I98.2Very high97.7Very high83 Ų8341.2 Ų41.243%0.42622%0.215SC..Hα-helixtrans-59.5-41.8179-68.3166.5000110.5E66 A67 N73 K74E66-I70 HydrophobicContact CG-CD1 4.02Å; E66-I70 VanDerWaalsContact O-CG1 3.32Å; E66-I70 WeakPolarHBondContact O-CG1 3.5Å; E66-I70 PolarHBondContact O-N 3.04Å; E66-I70 WeakPolarHBondContact OE1-CD1 3.37Å; A67-I70 PolarHBondContact O-N 2.96Å; I70-N73 PolarHBondContact O-N 2.94Å; I70-K74 WeakPolarHBondContact O-CB 3.38Å; I70-K74 PolarHBondContact O-N 3.34Å
71C98Very high97.5Very high30 Ų3042.6 Ų42.620%0.20323%0.23CC..Hα-helixtrans-61.9-49.4-178.9-168.20000112.3A67 A68 R69 Y75 R154A67-C71 VanDerWaalsContact O-CB 3.25Å; A67-C71 WeakPolarHBondContact O-CB 3.4Å; A67-C71 PolarHBondContact O-N 2.95Å; A68-C71 PolarHBondContact O-N 3.35Å; R69-C71 VanDerWaalsContact C-N 3.26Å; R69-C71 PolarHBondContact O-N 3.27Å; C71-Y75 PolarHBondContact O-N 2.85Å; C71-R154 VanDerWaalsContact SG-CB 3.6Å
72A97.7Very high97.3Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-58.8-49.1174.900000111.1A68 R69 K74 Y75 L76 S155A68-A72 PolarHBondContact O-N 2.79Å; R69-A72 PolarHBondContact O-N 3.49Å; A72-K74 PolarHBondContact O-N 3.41Å; A72-Y75 PolarHBondContact O-N 2.8Å; A72-L76 WeakPolarHBondContact O-CB 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.96Å; A72-S155 VanDerWaalsContact CB-OG 3.32Å; A72-S155 WeakPolarHBondContact CB-OG 3.36Å; A72-S155 PolarHBondContact N-OG 3.01Å
73N97.6Very high97.2Very high45 Ų4553.2 Ų53.224%0.24128%0.279CS..Hα-helixtrans-60-45.8-176.8-167.955.2000112.6L36 R69 I70 Y75 L76 T77L36-N73 HydrophobicContact CD1-CB 3.73Å; R69-N73 WeakPolarHBondContact O-CB 3.47Å; R69-N73 PolarHBondContact O-N 2.85Å; I70-N73 PolarHBondContact O-N 2.94Å; N73-Y75 VanDerWaalsContact C-N 3.32Å; N73-Y75 PolarHBondContact O-N 2.91Å; N73-L76 PolarHBondContact O-N 2.91Å; N73-T77 VanDerWaalsContact O-CB 3.24Å; N73-T77 WeakPolarHBondContact O-CB 3.31Å; N73-T77 PolarHBondContact O-N 2.98Å; N73-T77 PolarHBondContact O-OG1 3.47Å
74K97.8Very high97.2Very high161 Ų16152.3 Ų52.370%0.728%0.277SS*.Hα-helixtrans-63-41-177.5-172173.3-177175.90111.2I70 A72 K78I70-K74 WeakPolarHBondContact O-CB 3.38Å; I70-K74 PolarHBondContact O-N 3.34Å; A72-K74 PolarHBondContact O-N 3.41Å; K74-K78 PolarHBondContact O-N 3.06Å
75Y98.3Very high97.1Very high55 Ų5551.5 Ų51.522%0.21627%0.27CS..Hα-helixtrans-70.6-49.1178.1-175-95.3000111.9C71 A72 N73 T77 K78 A79 A147 E150 A151 R154C71-Y75 PolarHBondContact O-N 2.85Å; A72-Y75 PolarHBondContact O-N 2.8Å; N73-Y75 VanDerWaalsContact C-N 3.32Å; N73-Y75 PolarHBondContact O-N 2.91Å; Y75-T77 PolarHBondContact O-N 2.88Å; Y75-K78 PolarHBondContact O-N 3Å; Y75-K78 VanDerWaalsContact O-N 3.15Å; Y75-A79 HydrophobicContact CD1-CB 4.42Å; Y75-A79 HydrophobicContact CE1-CB 4.05Å; Y75-A79 WeakPolarHBondContact O-CB 3.18Å; Y75-A79 PolarHBondContact O-N 3.12Å; Y75-A147 HydrophobicContact CE1-CB 4.32Å; Y75-A147 VanDerWaalsContact CE1-O 3.23Å; Y75-A147 WeakPolarHBondContact CE1-O 3.34Å; Y75-E150 HydrophobicContact CE1-CB 3.86Å; Y75-E150 HydrophobicContact CE1-CG 3.76Å; Y75-E150 HydrophobicContact CE2-CG 3.92Å; Y75-E150 VanDerWaalsContact OH-CG 3.31Å; Y75-E150 WeakPolarHBondContact OH-CG 3.34Å; Y75-A151 HydrophobicContact CD1-CB 3.73Å; Y75-A151 HydrophobicContact CG-CB 4.49Å; Y75-R154 VanDerWaalsContact CE2-CZ 3.43Å
76L97.7Very high97.1Very high0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-63.2-40.7-178.8-71172.2000112.5A72 N73 K78 A79 C80 G81 F85 V87 V138 V148 A151A72-L76 WeakPolarHBondContact O-CB 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.96Å; N73-L76 PolarHBondContact O-N 2.91Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 3.37Å; L76-A79 PolarHBondContact O-N 3.27Å; L76-C80 WeakPolarHBondContact O-CB 3.38Å; L76-C80 PolarHBondContact O-N 3.25Å; L76-G81 PolarHBondContact O-N 3.45Å; L76-F85 HydrophobicContact CB-CD1 3.74Å; L76-F85 HydrophobicContact CB-CD2 4.32Å; L76-F85 HydrophobicContact CB-CE1 3.49Å; L76-F85 VanDerWaalsContact CB-CE1 3.49Å; L76-F85 HydrophobicContact CB-CE2 4.1Å; L76-F85 HydrophobicContact CB-CG 4.15Å; L76-F85 HydrophobicContact CB-CZ 3.68Å; L76-F85 HydrophobicContact CD1-CD2 3.92Å; L76-F85 HydrophobicContact CD1-CE2 4.12Å; L76-F85 HydrophobicContact CD1-CG 4.16Å; L76-V87 HydrophobicContact CD1-CG2 3.56Å; L76-V138 HydrophobicContact CD1-CG1 4.15Å; L76-V148 HydrophobicContact CD2-CG2 3.87Å; L76-A151 HydrophobicContact CD1-CB 4.18Å; L76-A151 HydrophobicContact CD2-CB 3.78Å; L76-A151 HydrophobicContact CG-CB 3.67Å
77T97.6Very high97.1Very high53 Ų5350.1 Ų50.133%0.32526%0.264SS..Hα-helixtrans-60.7-38.4176.4-56.30000111.3N73 Y75 G81 K82N73-T77 VanDerWaalsContact O-CB 3.24Å; N73-T77 WeakPolarHBondContact O-CB 3.31Å; N73-T77 PolarHBondContact O-N 2.98Å; N73-T77 PolarHBondContact O-OG1 3.47Å; Y75-T77 PolarHBondContact O-N 2.88Å; T77-G81 VanDerWaalsContact O-CA 3.3Å; T77-G81 WeakPolarHBondContact O-CA 3.37Å; T77-G81 PolarHBondContact O-N 2.73Å; T77-K82 HydrophobicContact CG2-CB 4.24Å
78K97.4Very high97.1Very high191 Ų19150.8 Ų50.883%0.8326%0.258SS*.Hα-helixtrans-73.1-42.6177.5-178.3176.9177.7178.10112.5K74 Y75 L76K74-K78 PolarHBondContact O-N 3.06Å; Y75-K78 PolarHBondContact O-N 3Å; Y75-K78 VanDerWaalsContact O-N 3.15Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 3.37Å
79A96.8Very high97.1Very high49 Ų4950.9 Ų50.941%0.40526%0.258SS..Hα-helixtrans-83.9-35.4-171.500000113.6Y75 L76 A147Y75-A79 HydrophobicContact CD1-CB 4.42Å; Y75-A79 HydrophobicContact CE1-CB 4.05Å; Y75-A79 WeakPolarHBondContact O-CB 3.18Å; Y75-A79 PolarHBondContact O-N 3.12Å; L76-A79 PolarHBondContact O-N 3.27Å; A79-A147 HydrophobicContact CB-CB 4.07Å
80C94.9Very high97.1Very high14 Ų1455.3 Ų55.310%0.09528%0.275CS..Hα-helixtrans-119.3-14.5-172-53.20000113.1L76 T84 H144 A147L76-C80 WeakPolarHBondContact O-CB 3.38Å; L76-C80 PolarHBondContact O-N 3.25Å; C80-T84 VanDerWaalsContact C-OG1 3.27Å; C80-T84 WeakPolarHBondContact CB-OG1 3.45Å; C80-T84 WeakPolarHBondContact O-CB 3.1Å; C80-T84 WeakPolarHBondContact O-CG2 3.44Å; C80-T84 PolarHBondContact O-OG1 3.49Å; C80-H144 VanDerWaalsContact SG-CG 3.53Å; C80-A147 WeakPolarHBondContact SG-CB 3.4Å
81G94.7Very high97.1Very high30 Ų3051.6 Ų51.631%0.30926%0.256SS..  trans84.1156-167.100000112.7L76 T77 D83 T84 F85L76-G81 PolarHBondContact O-N 3.45Å; T77-G81 VanDerWaalsContact O-CA 3.3Å; T77-G81 WeakPolarHBondContact O-CA 3.37Å; T77-G81 PolarHBondContact O-N 2.73Å; G81-D83 VanDerWaalsContact C-N 3.34Å; G81-D83 PolarHBondContact O-N 3.42Å; G81-T84 PolarHBondContact O-OG1 3.46Å; G81-F85 VanDerWaalsContact O-CD1 3.26Å; G81-F85 WeakPolarHBondContact O-CD1 3.44Å; G81-F85 WeakPolarHBondContact O-CE1 3.32Å
82K93.4Very high97.1Very high135 Ų13554 Ų5459%0.58726%0.264SS*.THydrogen-bonded Turntrans-66.1-32.1-172.4-176.2-179171.6-170.30113.8T77T77-K82 HydrophobicContact CG2-CB 4.24Å
83D95.2Very high97.1Very high103 Ų10354.5 Ų54.555%0.55127%0.268SS*.THydrogen-bonded Turntrans-96.98.5-169.4-63.3-47.3000114.1K38 G81K38-D83 HydrophobicContact CD-CB 4.37Å; K38-D83 VanDerWaalsContact CD-O 3.27Å; K38-D83 WeakPolarHBondContact CD-O 3.14Å; G81-D83 VanDerWaalsContact C-N 3.34Å; G81-D83 PolarHBondContact O-N 3.42Å
84T96.4Very high97.1Very high36 Ų3659.4 Ų59.422%0.22129%0.287CS..SBendtrans-103.2-6.2-175.758.20000113.8F46 C80 G81 V140F46-T84 WeakPolarHBondContact CE1-O 3.45Å; F46-T84 VanDerWaalsContact CZ-C 3.49Å; F46-T84 WeakPolarHBondContact CZ-O 3.4Å; C80-T84 VanDerWaalsContact C-OG1 3.27Å; C80-T84 WeakPolarHBondContact CB-OG1 3.45Å; C80-T84 WeakPolarHBondContact O-CB 3.1Å; C80-T84 WeakPolarHBondContact O-CG2 3.44Å; C80-T84 PolarHBondContact O-OG1 3.49Å; G81-T84 PolarHBondContact O-OG1 3.46Å; T84-V140 VanDerWaalsContact O-CG2 3.3Å; T84-V140 WeakPolarHBondContact O-CG2 3.46Å
85F97.5Very high97.1Very high0 Ų052.3 Ų52.30%026%0.257CS..EExtended strand (participates in β ladder)trans-136.2159.9-177.966.9-93000112.4G37 K38 L76 G81 V87 V138 V140G37-F85 CarbonylContact C-O 3.57Å; G37-F85 WeakPolarHBondContact CA-O 3.3Å; K38-F85 PolarHBondContact N-O 3.07Å; L76-F85 HydrophobicContact CB-CD1 3.74Å; L76-F85 HydrophobicContact CB-CD2 4.32Å; L76-F85 HydrophobicContact CB-CE1 3.49Å; L76-F85 VanDerWaalsContact CB-CE1 3.49Å; L76-F85 HydrophobicContact CB-CE2 4.1Å; L76-F85 HydrophobicContact CB-CG 4.15Å; L76-F85 HydrophobicContact CB-CZ 3.68Å; L76-F85 HydrophobicContact CD1-CD2 3.92Å; L76-F85 HydrophobicContact CD1-CE2 4.12Å; L76-F85 HydrophobicContact CD1-CG 4.16Å; G81-F85 VanDerWaalsContact O-CD1 3.26Å; G81-F85 WeakPolarHBondContact O-CD1 3.44Å; G81-F85 WeakPolarHBondContact O-CE1 3.32Å; F85-V87 HydrophobicContact CD2-CG2 3.57Å; F85-V87 HydrophobicContact CE2-CG2 3.79Å; F85-V138 HydrophobicContact CB-CG1 4.5Å; F85-V140 HydrophobicContact CB-CB 4.47Å; F85-V140 HydrophobicContact CB-CG2 4.16Å
86H97.8Very high97.1Very high0 Ų049.9 Ų49.90%025%0.247CC..EExtended strand (participates in β ladder)trans-130.5114.1167.1172.9-146.6000109.2D35 L36 F46 V138 R139 F173D35-H86 IonicContact OD1-CE1 2.73Å; D35-H86 IonicContact OD1-NE2 2.67Å; D35-H86 PolarHBondContact OD1-NE2 3.46Å; D35-H86 VanDerWaalsContact OD1-NE2 3.09Å; L36-H86 WeakPolarHBondContact O-CA 3.31Å; L36-H86 PolarHBondContact O-CD2 2.92Å; F46-H86 HydrophobicContact CD2-CB 4.17Å; F46-H86 HydrophobicContact CE2-CB 4.26Å; H86-V138 WeakPolarHBondContact O-CA 3.41Å; H86-R139 HydrophobicContact CB-CG 3.71Å; H86-R139 PolarHBondContact N-O 3.48Å; H86-R139 PolarHBondContact ND1-NE 2.65Å; H86-R139 PolarHBondContact O-N 3.24Å; H86-F173 AromaticContact CE1-CD2 3.83Å; H86-F173 AromaticContact CE1-CE2 3.35Å; H86-F173 WeakPolarHBondContact CE1-CE2 3.32Å; H86-F173 AromaticContact ND1-CD2 3.74Å; H86-F173 AromaticContact ND1-CE2 3.22Å; H86-F173 WeakPolarHBondContact ND1-CE2 3.38Å; H86-F173 AromaticContact ND1-CZ 3.98Å
87V97.8Very high97Very high0 Ų050.6 Ų50.60%025%0.251CS..EExtended strand (participates in β ladder)trans-100.7133.3175.2-178.40000109.3D35 L36 L76 F85 I136 S137 V138D35-V87 CarbonylContact C-O 3.6Å; D35-V87 VanDerWaalsContact CA-O 3.3Å; D35-V87 WeakPolarHBondContact CA-O 3.42Å; L36-V87 HydrophobicContact CB-CB 4.21Å; L36-V87 HydrophobicContact CD1-CB 4.44Å; L36-V87 PolarHBondContact N-O 3.15Å; L36-V87 PolarHBondContact O-N 3.12Å; L76-V87 HydrophobicContact CD1-CG2 3.56Å; F85-V87 HydrophobicContact CD2-CG2 3.57Å; F85-V87 HydrophobicContact CE2-CG2 3.79Å; V87-I136 HydrophobicContact CG1-CG2 3.65Å; V87-S137 CarbonylContact C-O 3.49Å; V87-S137 WeakPolarHBondContact CA-O 3.37Å; V87-V138 HydrophobicContact CB-CG2 4.33Å; V87-V138 HydrophobicContact CG1-CG2 4.09Å; V87-V138 HydrophobicContact CG2-CB 4.45Å; V87-V138 HydrophobicContact CG2-CG1 4.07Å; V87-V138 HydrophobicContact CG2-CG2 3.79Å
88R98Very high97Very high55 Ų5552.1 Ų52.121%0.20825%0.251CS..EExtended strand (participates in β ladder)trans-123.5123.3170.8-179173.3-70.11722.4110.5F34 D35 R90 S137 F173F34-R88 CarbonylContact O-C 3.52Å; F34-R88 WeakPolarHBondContact O-CA 3.23Å; D35-R88 IonicContact OD1-CZ 3.46Å; D35-R88 VanDerWaalsContact OD1-CZ 3.28Å; D35-R88 IonicContact OD1-NE 3.62Å; D35-R88 PolarHBondContact OD1-NE 2.92Å; D35-R88 IonicContact OD1-NH2 3.93Å; D35-R88 PolarHBondContact OD1-NH2 3.45Å; D35-R88 IonicContact OD2-NE 3.72Å; R88-R90 PolarHBondContact O-N 2.99Å; R88-S137 PolarHBondContact N-O 3.38Å; R88-S137 PolarHBondContact O-N 2.8Å; R88-F173 HydrophobicContact CB-CE2 3.69Å; R88-F173 HydrophobicContact CB-CZ 3.86Å
89I98.4Very high96.9Very high2 Ų243.6 Ų43.61%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-76.1117.3163.6-51.9-58.4000107I31 F34 L65 R69 V91 I136I31-I89 HydrophobicContact CD1-CB 4.12Å; I31-I89 HydrophobicContact CD1-CG1 3.89Å; I31-I89 HydrophobicContact CD1-CG2 3.95Å; F34-I89 HydrophobicContact CD1-CB 3.94Å; F34-I89 HydrophobicContact CD1-CG2 4.13Å; F34-I89 HydrophobicContact CE1-CG2 4.46Å; F34-I89 PolarHBondContact O-N 2.76Å; L65-I89 HydrophobicContact CD2-CG2 4.09Å; R69-I89 HydrophobicContact CB-CD1 3.99Å; R69-I89 HydrophobicContact CB-CG1 4.22Å; R69-I89 HydrophobicContact CG-CD1 4.25Å; R69-I89 HydrophobicContact CG-CG1 4.16Å; I89-V91 HydrophobicContact CG2-CG2 4.35Å; I89-I136 HydrophobicContact CD1-CB 4.38Å; I89-I136 HydrophobicContact CD1-CD1 3.74Å; I89-I136 HydrophobicContact CD1-CG1 3.65Å; I89-I136 HydrophobicContact CD1-CG2 4.09Å
90R97.9Very high96.7Very high119 Ų11943.4 Ų43.445%0.44921%0.206SC..  trans-86-29.3-172.6-62-66.6-69.7-163.80.3112.6R88 V134 L135 S137R88-R90 PolarHBondContact O-N 2.99Å; R90-V134 WeakPolarHBondContact CB-O 3.18Å; R90-V134 HydrophobicContact CG-CG1 3.94Å; R90-L135 PolarHBondContact N-O 3.43Å; R90-S137 WeakPolarHBondContact CD-OG 3.09Å; R90-S137 VanDerWaalsContact CG-OG 3.25Å; R90-S137 WeakPolarHBondContact CG-OG 3.49Å
91V97.8Very high96.5Very high5 Ų547.7 Ų47.73%0.0322%0.223CC..  trans-92.3138-177-65.90000111.2L65 I89 A127 V129 Q133 L135L65-V91 HydrophobicContact CD1-CG2 4.17Å; L65-V91 HydrophobicContact CD2-CG2 3.41Å; L65-V91 VanDerWaalsContact CD2-CG2 3.41Å; L65-V91 HydrophobicContact CG-CG2 4.45Å; I89-V91 HydrophobicContact CG2-CG2 4.35Å; V91-A127 HydrophobicContact CB-CB 4.07Å; V91-A127 HydrophobicContact CG2-CB 4.26Å; V91-V129 HydrophobicContact CB-CG1 4.38Å; V91-V129 HydrophobicContact CG1-CG1 3.89Å; V91-Q133 HydrophobicContact CG1-CG 4.46Å; V91-L135 HydrophobicContact CG1-CD2 3.83Å; V91-L135 HydrophobicContact CG2-CD2 4.18Å
92H98.2Very high96.3Very high80 Ų8050 Ų5037%0.3723%0.227SC..  trans-114.1134.9179.8-71.8-95.5000111F34 F94 A127F34-H92 AromaticContact CD1-CE1 3.41Å; F34-H92 VanDerWaalsContact CD1-CE1 3.41Å; F34-H92 WeakPolarHBondContact CD1-CE1 3.48Å; F34-H92 AromaticContact CD1-ND1 3.67Å; F34-H92 AromaticContact CD1-NE2 3.96Å; F34-H92 AromaticContact CD2-CE1 3.92Å; F34-H92 HydrophobicContact CE1-CB 4.48Å; F34-H92 AromaticContact CE1-CE1 3.52Å; F34-H92 AromaticContact CE1-CG 3.84Å; F34-H92 AromaticContact CE1-ND1 3.24Å; F34-H92 WeakPolarHBondContact CE1-ND1 3.21Å; F34-H92 AromaticContact CE2-ND1 3.81Å; F34-H92 AromaticContact CG-CE1 3.64Å; F34-H92 AromaticContact CZ-CE1 3.82Å; F34-H92 AromaticContact CZ-ND1 3.33Å; F34-H92 VanDerWaalsContact CZ-ND1 3.33Å; F34-H92 WeakPolarHBondContact CZ-ND1 3.16Å; H92-F94 VanDerWaalsContact C-N 3.31Å; H92-F94 HydrophobicContact CB-CD2 3.91Å; H92-F94 HydrophobicContact CB-CE1 4.1Å; H92-F94 HydrophobicContact CB-CE2 3.42Å; H92-F94 VanDerWaalsContact CB-CE2 3.42Å; H92-F94 HydrophobicContact CB-CG 4.44Å; H92-F94 HydrophobicContact CB-CZ 3.52Å; H92-F94 PolarHBondContact O-N 3.36Å; H92-A127 WeakPolarHBondContact O-CB 3.36Å
93P97.8Very high96.1Very high11 Ų1147.3 Ų47.37%0.07122%0.219CC..  trans-81.372.8-177.734.3-36.7000112P29 I31 L65 T125 V126P29-P93 HydrophobicContact CB-CG 3.65Å; P29-P93 HydrophobicContact CG-CG 4.44Å; I31-P93 HydrophobicContact CG2-CG 3.88Å; L65-P93 HydrophobicContact CD1-CB 4.36Å; L65-P93 HydrophobicContact CD1-CG 4.38Å; P93-T125 WeakPolarHBondContact O-CB 3.43Å; P93-V126 CarbonylContact C-O 3.58Å; P93-V126 VanDerWaalsContact CA-C 3.42Å; P93-V126 VanDerWaalsContact CA-O 3.29Å; P93-V126 WeakPolarHBondContact CA-O 3.31Å
94F97.6Very high95.8Very high148 Ų14847.7 Ų47.765%0.64923%0.229SC*.  trans-80.4-27.6179.7-65.3-55.7000113.8P18 H92 V126P18-F94 VanDerWaalsContact CA-O 3.32Å; P18-F94 WeakPolarHBondContact CA-O 3.47Å; H92-F94 VanDerWaalsContact C-N 3.31Å; H92-F94 HydrophobicContact CB-CD2 3.91Å; H92-F94 HydrophobicContact CB-CE1 4.1Å; H92-F94 HydrophobicContact CB-CE2 3.42Å; H92-F94 VanDerWaalsContact CB-CE2 3.42Å; H92-F94 HydrophobicContact CB-CG 4.44Å; H92-F94 HydrophobicContact CB-CZ 3.52Å; H92-F94 PolarHBondContact O-N 3.36Å; F94-V126 PolarHBondContact N-O 3.34Å
95H98.1Very high95.3Very high13 Ų1349 Ų496%0.0624%0.24CC..EExtended strand (participates in β ladder)trans-78134.2-175.2-172.668000110.7K15 Y17 T125 V126 R128K15-H95 PolarHBondContact O-CE1 3.12Å; Y17-H95 PolarHBondContact N-CE1 2.92Å; Y17-H95 PolarHBondContact N-ND1 3.33Å; H95-T125 CarbonylContact O-C 3.57Å; H95-T125 VanDerWaalsContact O-CA 3.26Å; H95-T125 WeakPolarHBondContact O-CA 3.48Å; H95-V126 HydrophobicContact CB-CG2 3.78Å; H95-V126 WeakPolarHBondContact CB-O 3.42Å; H95-V126 PolarHBondContact N-O 3.23Å; H95-V126 PolarHBondContact O-N 2.85Å; H95-R128 HydrophobicContact CB-CG 3.99Å
96V97.8Very high95Very high3 Ų354 Ų542%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-101.4121.8179.4-178.30000109.9Y17 N23 V26 P122 G124 T125Y17-V96 HydrophobicContact CD1-CB 4.2Å; Y17-V96 VanDerWaalsContact O-CB 3.3Å; Y17-V96 WeakPolarHBondContact O-CB 2.81Å; Y17-V96 PolarHBondContact O-N 3.39Å; N23-V96 WeakPolarHBondContact ND2-CG2 3.38Å; V26-V96 HydrophobicContact CB-CG2 4.38Å; V26-V96 HydrophobicContact CG1-CB 4.39Å; V26-V96 HydrophobicContact CG1-CG1 3.96Å; V26-V96 HydrophobicContact CG1-CG2 3.47Å; V26-V96 VanDerWaalsContact CG1-CG2 3.47Å; V26-V96 HydrophobicContact CG2-CG1 4.12Å; V26-V96 HydrophobicContact CG2-CG2 3.94Å; V96-P122 HydrophobicContact CG1-CB 3.74Å; V96-P122 HydrophobicContact CG1-CG 4.36Å; V96-G124 WeakPolarHBondContact CA-O 3.36Å; V96-T125 HydrophobicContact CG2-CG2 4.29Å
97I96.9Very high94.6Very high16 Ų1655.6 Ų55.68%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-84144.7171.854.7165000110.5Y9 Q123 G124 V126Y9-I97 HydrophobicContact CD1-CB 3.86Å; Y9-I97 HydrophobicContact CD1-CD1 4.03Å; Y9-I97 HydrophobicContact CD1-CG2 3.82Å; Y9-I97 HydrophobicContact CD2-CD1 3.66Å; Y9-I97 HydrophobicContact CE1-CB 3.99Å; Y9-I97 HydrophobicContact CE1-CD1 4.09Å; Y9-I97 HydrophobicContact CE1-CG2 4.45Å; Y9-I97 HydrophobicContact CE2-CD1 3.69Å; Y9-I97 HydrophobicContact CG-CB 4.38Å; Y9-I97 HydrophobicContact CG-CD1 3.82Å; Y9-I97 HydrophobicContact CG-CG2 4.13Å; I97-Q123 PolarHBondContact O-N 2.75Å; I97-G124 WeakPolarHBondContact CG1-O 3.4Å; I97-G124 PolarHBondContact N-O 2.96Å; I97-V126 HydrophobicContact CD1-CG1 4.26Å; I97-V126 HydrophobicContact CG1-CG1 4.29Å; I97-V126 HydrophobicContact CG2-CG1 3.76Å; I97-V126 HydrophobicContact CG2-CG2 3.86Å
98R96.2Very high94.3Very high85 Ų8556.6 Ų56.632%0.32131%0.305SS..EExtended strand (participates in β ladder)trans-113.3148.4-178-65.2-178.1-61.5-159.13.3111Y17 G120 K121Y17-R98 HydrophobicContact CD1-CG 4.29Å; Y17-R98 HydrophobicContact CE1-CG 4.15Å; R98-G120 WeakPolarHBondContact CD-O 3.35Å; R98-K121 CarbonylContact C-O 3.58Å; R98-K121 VanDerWaalsContact CA-O 3.32Å; R98-K121 WeakPolarHBondContact CA-O 3.25Å
99I95Very high93.8Very high12 Ų1260 Ų606%0.06233%0.327CS..EExtended strand (participates in β ladder)trans-128.8124.8174.3-169169.4000109.8R4 K101 G120 K121 Q123R4-I99 HydrophobicContact CG-CD1 4Å; I99-K101 HydrophobicContact CD1-CG 4.23Å; I99-K101 HydrophobicContact CG1-CG 4.14Å; I99-K101 HydrophobicContact CG2-CD 4.41Å; I99-K101 HydrophobicContact CG2-CG 3.77Å; I99-G120 VanDerWaalsContact C-CA 3.46Å; I99-G120 CarbonylContact O-C 3.5Å; I99-G120 WeakPolarHBondContact O-CA 3.37Å; I99-K121 PolarHBondContact N-O 2.89Å; I99-K121 PolarHBondContact O-N 3.31Å; I99-Q123 HydrophobicContact CB-CB 4.07Å; I99-Q123 HydrophobicContact CB-CG 4.32Å; I99-Q123 HydrophobicContact CG2-CB 3.58Å; I99-Q123 HydrophobicContact CG2-CG 3.87Å
100N94.2Very high93.4Very high44 Ų4470.2 Ų70.224%0.23537%0.366CS..  trans-83.3109.6157.5-172.113.8000106.8R4R4-N100 PolarHBondContact NH2-O 3.22Å; R4-N100 VanDerWaalsContact NH2-O 3.16Å
101K90.6Very high92.9Very high104 Ų10470.5 Ų70.545%0.45238%0.375SS..PPolyproline II helixtrans-81.9118.7-173.7-69.5-170.9177.5173.60108.7M1 I99 Q112M1-K101 HydrophobicContact CE-CB 4.02Å; M1-K101 HydrophobicContact CE-CD 4.45Å; M1-K101 HydrophobicContact CE-CG 4.42Å; I99-K101 HydrophobicContact CD1-CG 4.23Å; I99-K101 HydrophobicContact CG1-CG 4.14Å; I99-K101 HydrophobicContact CG2-CD 4.41Å; I99-K101 HydrophobicContact CG2-CG 3.77Å; K101-Q112 PolarHBondContact O-NE2 3.03Å
102M89.3Confident92.6Very high79 Ų7971.8 Ų71.839%0.38938%0.381SS..PPolyproline II helixtrans-85.8136.6170.7-55.2-64.2-64.400109.7M1 Q112M1-M102 WeakPolarHBondContact CE-O 3.22Å; M102-Q112 PolarHBondContact SD-NE2 2.84Å
103L88.9Confident92.2Very high79 Ų7972.8 Ų72.841%0.41439%0.393SS..PPolyproline II helixtrans-72.5131.3170.2-68.6174.3000108.4A108 L111 Q112L103-A108 HydrophobicContact CB-CB 3.85Å; L103-A108 WeakPolarHBondContact O-CB 3.15Å; L103-L111 HydrophobicContact CD1-CB 3.71Å; L103-Q112 HydrophobicContact CD1-CB 4.08Å; L103-Q112 HydrophobicContact CD1-CG 4.49Å; L103-Q112 HydrophobicContact CG-CB 4.42Å; L103-Q112 HydrophobicContact CG-CG 4.47Å
104S88.7Confident91.9Very high111 Ų11173.5 Ų73.578%0.77640%0.402SS*.  trans-1048.5178.762.30000112.6
105C87.9Confident91.8Very high64 Ų6473.2 Ų73.243%0.43241%0.405SS..SBendtrans-78.9157.3177.152.40000111.3G107 A108C105-G107 PolarHBondContact O-N 3.02Å; C105-A108 VanDerWaalsContact O-CB 3.3Å; C105-A108 WeakPolarHBondContact O-CB 3.2Å; C105-A108 PolarHBondContact O-N 3.44Å
106A89.7Confident91.6Very high104 Ų10482.6 Ų82.686%0.8644%0.44SS*.THydrogen-bonded Turntrans-59.2137.2169.600000109.9
107G90.6Very high91.4Very high33 Ų3386 Ų8634%0.3448%0.475SS..THydrogen-bonded Turntrans74.920.4-174.400000114.9C105 D109 R110C105-G107 PolarHBondContact O-N 3.02Å; G107-D109 VanDerWaalsContact C-OD1 3.27Å; G107-D109 WeakPolarHBondContact CA-OD1 3.5Å; G107-D109 PolarHBondContact O-N 3.46Å; G107-R110 PolarHBondContact O-N 3.01Å; G107-R110 VanDerWaalsContact O-N 3.12Å
108A91.5Very high91.3Very high21 Ų2187.3 Ų87.317%0.17449%0.489CS..Hα-helixtrans-58.6-25.8176.800000113.7L103 C105 R110 L111 Q112L103-A108 HydrophobicContact CB-CB 3.85Å; L103-A108 WeakPolarHBondContact O-CB 3.15Å; C105-A108 VanDerWaalsContact O-CB 3.3Å; C105-A108 WeakPolarHBondContact O-CB 3.2Å; C105-A108 PolarHBondContact O-N 3.44Å; A108-R110 PolarHBondContact O-N 2.7Å; A108-L111 PolarHBondContact O-N 2.67Å; A108-Q112 VanDerWaalsContact O-CB 3.3Å; A108-Q112 WeakPolarHBondContact O-CB 3.05Å; A108-Q112 PolarHBondContact O-N 2.9Å
109D87.7Confident91.3Very high127 Ų12790 Ų9068%0.67950%0.503SS*.Hα-helixtrans-59.9-34175.567.6-56.9000112.3G107G107-D109 VanDerWaalsContact C-OD1 3.27Å; G107-D109 WeakPolarHBondContact CA-OD1 3.5Å; G107-D109 PolarHBondContact O-N 3.46Å
110R88.9Confident91.3Very high216 Ų21689.8 Ų89.882%0.81550%0.504SS*.Hα-helixtrans-83.1-26.8-179.8-57.8-178.4-174.8169.5-1.5112.9G107 A108G107-R110 PolarHBondContact O-N 3.01Å; G107-R110 VanDerWaalsContact O-N 3.12Å; A108-R110 PolarHBondContact O-N 2.7Å
111L87.6Confident91.3Very high125 Ų12595.2 Ų95.265%0.65453%0.525SS*.Hα-helixtrans-100.1-21.1-171.9-64.1176000113.6L103 A108L103-L111 HydrophobicContact CD1-CB 3.71Å; A108-L111 PolarHBondContact O-N 2.67Å
112Q90.7Very high91.6Very high32 Ų3291.7 Ų91.715%0.1551%0.513CS..  trans-112.3142.4-175.9-155.8-165.8-32.800111.9K101 M102 L103 A108 G114K101-Q112 PolarHBondContact O-NE2 3.03Å; M102-Q112 PolarHBondContact SD-NE2 2.84Å; L103-Q112 HydrophobicContact CD1-CB 4.08Å; L103-Q112 HydrophobicContact CD1-CG 4.49Å; L103-Q112 HydrophobicContact CG-CB 4.42Å; L103-Q112 HydrophobicContact CG-CG 4.47Å; A108-Q112 VanDerWaalsContact O-CB 3.3Å; A108-Q112 WeakPolarHBondContact O-CB 3.05Å; A108-Q112 PolarHBondContact O-N 2.9Å; Q112-G114 PolarHBondContact O-N 2.69Å; Q112-G114 VanDerWaalsContact O-N 3.08Å
113T91.2Very high91.8Very high101 Ų10191.1 Ų91.162%0.6251%0.51SS*.  trans-73.56.317659.90000114.6M115 R116T113-M115 PolarHBondContact O-N 2.83Å; T113-M115 VanDerWaalsContact O-N 3.14Å; T113-R116 WeakPolarHBondContact O-CB 3.43Å; T113-R116 PolarHBondContact O-N 3.49Å; T113-R116 PolarHBondContact OG1-O 3.49Å; T113-R116 VanDerWaalsContact OG1-O 3.14Å
114G90.5Very high92.1Very high26 Ų2687.7 Ų87.727%0.26849%0.493SS..THydrogen-bonded Turntrans55.5-116.5-173.500000112.1Q112Q112-G114 PolarHBondContact O-N 2.69Å; Q112-G114 VanDerWaalsContact O-N 3.08Å
115M95.1Very high92.5Very high142 Ų14282.7 Ų82.770%0.746%0.458SS*.THydrogen-bonded Turntrans-98.41178.8-65-60.8176.200114.1T113 G117 A118T113-M115 PolarHBondContact O-N 2.83Å; T113-M115 VanDerWaalsContact O-N 3.14Å; M115-G117 PolarHBondContact O-N 3.47Å; M115-A118 WeakPolarHBondContact O-CB 3.45Å; M115-A118 PolarHBondContact O-N 2.91Å; M115-A118 HydrophobicContact SD-CB 4.29Å
116R93.9Very high93Very high210 Ų21079.8 Ų79.879%0.79244%0.439SS*.THydrogen-bonded Turntrans-69.1123.1172.7-175.1-175.7-62.71770.7109T113T113-R116 WeakPolarHBondContact O-CB 3.43Å; T113-R116 PolarHBondContact O-N 3.49Å; T113-R116 PolarHBondContact OG1-O 3.49Å; T113-R116 VanDerWaalsContact OG1-O 3.14Å
117G94Very high93.4Very high74 Ų7474.9 Ų74.976%0.76340%0.398SS*.THydrogen-bonded Turntrans68.435.7-176.700000114M115 F119M115-G117 PolarHBondContact O-N 3.47Å; G117-F119 PolarHBondContact O-N 3.28Å
118A95.6Very high93.7Very high45 Ų4576.2 Ų76.237%0.37239%0.393SS..  trans-64.714.5-170.700000117.3M115 G120M115-A118 WeakPolarHBondContact O-CB 3.45Å; M115-A118 PolarHBondContact O-N 2.91Å; M115-A118 HydrophobicContact SD-CB 4.29Å; A118-G120 PolarHBondContact O-N 3.01Å; A118-G120 VanDerWaalsContact O-N 3.09Å
119F94.8Very high94Very high140 Ų14075.2 Ų75.261%0.61438%0.384SS*.  trans-67.6111.5176.2-167.4-88.9000110.3G117G117-F119 PolarHBondContact O-N 3.28Å
120G95.2Very high94.5Very high8 Ų874.3 Ų74.38%0.08238%0.376CS..PPolyproline II helixtrans-68.2149.5-17400000113.8R98 I99 A118R98-G120 WeakPolarHBondContact CD-O 3.35Å; I99-G120 VanDerWaalsContact C-CA 3.46Å; I99-G120 CarbonylContact O-C 3.5Å; I99-G120 WeakPolarHBondContact O-CA 3.37Å; A118-G120 PolarHBondContact O-N 3.01Å; A118-G120 VanDerWaalsContact O-N 3.09Å
121K95.4Very high94.9Very high158 Ų15869.5 Ų69.569%0.68737%0.365SS*.EExtended strand (participates in β ladder)trans-77.9148.6171.3-63.3-177.2-179.6-178.90110.3R98 I99 Q123R98-K121 CarbonylContact C-O 3.58Å; R98-K121 VanDerWaalsContact CA-O 3.32Å; R98-K121 WeakPolarHBondContact CA-O 3.25Å; I99-K121 PolarHBondContact N-O 2.89Å; I99-K121 PolarHBondContact O-N 3.31Å; K121-Q123 PolarHBondContact O-N 3.45Å
122P95.9Very high95.4Very high30 Ų3066.1 Ų66.120%0.19536%0.36CS..EExtended strand (participates in β ladder)trans-52.9131.6170.6-29.438.6000112.1N23 V26 V96N23-P122 VanDerWaalsContact OD1-CG 3.31Å; N23-P122 WeakPolarHBondContact OD1-CG 3.49Å; V26-P122 HydrophobicContact CB-CB 4.48Å; V26-P122 HydrophobicContact CG2-CB 4.12Å; V26-P122 HydrophobicContact CG2-CG 4.16Å; V96-P122 HydrophobicContact CG1-CB 3.74Å; V96-P122 HydrophobicContact CG1-CG 4.36Å
123Q93.5Very high95.7Very high67 Ų6767.8 Ų67.831%0.31337%0.368SS..EExtended strand (participates in β ladder)trans-124.8-29.4-178.1-176.757.844.500113.8P27 I97 I99 K121P27-Q123 VanDerWaalsContact CG-C 3.48Å; P27-Q123 WeakPolarHBondContact CG-O 3.35Å; I97-Q123 PolarHBondContact O-N 2.75Å; I99-Q123 HydrophobicContact CB-CB 4.07Å; I99-Q123 HydrophobicContact CB-CG 4.32Å; I99-Q123 HydrophobicContact CG2-CB 3.58Å; I99-Q123 HydrophobicContact CG2-CG 3.87Å; K121-Q123 PolarHBondContact O-N 3.45Å
124G95.2Very high96Very high7 Ų765 Ų657%0.07235%0.351CS..EExtended strand (participates in β ladder)trans-169.7172.3-177.200000111.5V96 I97V96-G124 WeakPolarHBondContact CA-O 3.36Å; I97-G124 WeakPolarHBondContact CG1-O 3.4Å; I97-G124 PolarHBondContact N-O 2.96Å
125T97.3Very high96.4Very high7 Ų763.7 Ų63.74%0.04334%0.338CS..EExtended strand (participates in β ladder)trans-118.7144.9179.652.60000110.9V26 P29 S62 P93 H95 V96V26-T125 HydrophobicContact CG1-CG2 4.01Å; P29-T125 VanDerWaalsContact CA-OG1 3.23Å; P29-T125 WeakPolarHBondContact CA-OG1 3.27Å; P29-T125 WeakPolarHBondContact CB-OG1 3.49Å; S62-T125 WeakPolarHBondContact CB-O 3.44Å; S62-T125 PolarHBondContact N-O 3.47Å; S62-T125 PolarHBondContact OG-O 3.35Å; P93-T125 WeakPolarHBondContact O-CB 3.43Å; H95-T125 CarbonylContact O-C 3.57Å; H95-T125 VanDerWaalsContact O-CA 3.26Å; H95-T125 WeakPolarHBondContact O-CA 3.48Å; V96-T125 HydrophobicContact CG2-CG2 4.29Å
126V98.1Very high96.6Very high3 Ų357 Ų572%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-141.5147.7-175.5-53.70000109.7Q59 I60 P93 F94 H95 I97Q59-V126 HydrophobicContact CB-CB 4.2Å; Q59-V126 HydrophobicContact CB-CG2 4.03Å; Q59-V126 HydrophobicContact CG-CG2 4.41Å; I60-V126 CarbonylContact O-C 3.36Å; I60-V126 VanDerWaalsContact O-CA 3.29Å; I60-V126 WeakPolarHBondContact O-CA 3.31Å; P93-V126 CarbonylContact C-O 3.58Å; P93-V126 VanDerWaalsContact CA-C 3.42Å; P93-V126 VanDerWaalsContact CA-O 3.29Å; P93-V126 WeakPolarHBondContact CA-O 3.31Å; F94-V126 PolarHBondContact N-O 3.34Å; H95-V126 HydrophobicContact CB-CG2 3.78Å; H95-V126 WeakPolarHBondContact CB-O 3.42Å; H95-V126 PolarHBondContact N-O 3.23Å; H95-V126 PolarHBondContact O-N 2.85Å; I97-V126 HydrophobicContact CD1-CG1 4.26Å; I97-V126 HydrophobicContact CG1-CG1 4.29Å; I97-V126 HydrophobicContact CG2-CG1 3.76Å; I97-V126 HydrophobicContact CG2-CG2 3.86Å
127A98.2Very high96.8Very high1 Ų147 Ų471%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-90.8128.5170.700000108.4Q59 I60 L65 V91 H92 V129Q59-A127 CarbonylContact C-O 3.6Å; Q59-A127 VanDerWaalsContact CA-O 3.32Å; Q59-A127 WeakPolarHBondContact CA-O 3.26Å; I60-A127 PolarHBondContact N-O 2.97Å; I60-A127 PolarHBondContact O-N 3.06Å; L65-A127 HydrophobicContact CD1-CB 4.11Å; V91-A127 HydrophobicContact CB-CB 4.07Å; V91-A127 HydrophobicContact CG2-CB 4.26Å; H92-A127 WeakPolarHBondContact O-CB 3.36Å; A127-V129 HydrophobicContact CB-CG1 4.42Å
128R98Very high97Very high60 Ų6043.4 Ų43.423%0.22623%0.23CC..EExtended strand (participates in β ladder)trans-85.9124.4170.5-65.5-178.365.7157.92.3107.7C12 N14 Q59 H95C12-R128 PolarHBondContact O-NH2 3.39Å; C12-R128 PolarHBondContact SG-NE 2.95Å; C12-R128 VanDerWaalsContact SG-NE 3.44Å; N14-R128 PolarHBondContact O-NH1 2.72Å; Q59-R128 HydrophobicContact CG-CG 4.42Å; H95-R128 HydrophobicContact CB-CG 3.99Å
129V97.8Very high97.1Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-121.1140.5-175.7-58.10000110.7F57 E58 I60 V91 A127 Q133 L135F57-V129 WeakPolarHBondContact CA-O 3.38Å; F57-V129 WeakPolarHBondContact CD2-O 3.41Å; E58-V129 HydrophobicContact CG-CG2 3.63Å; E58-V129 PolarHBondContact N-O 3.02Å; E58-V129 WeakPolarHBondContact O-CG2 3.45Å; E58-V129 PolarHBondContact O-N 3.27Å; I60-V129 HydrophobicContact CD1-CG1 4Å; I60-V129 HydrophobicContact CD1-CG2 3.92Å; I60-V129 HydrophobicContact CG1-CG1 4.28Å; I60-V129 HydrophobicContact CG1-CG2 3.95Å; V91-V129 HydrophobicContact CB-CG1 4.38Å; V91-V129 HydrophobicContact CG1-CG1 3.89Å; A127-V129 HydrophobicContact CB-CG1 4.42Å; V129-Q133 VanDerWaalsContact CA-OE1 3.32Å; V129-L135 HydrophobicContact CB-CD2 4.13Å; V129-L135 HydrophobicContact CG1-CD2 3.65Å
130H97.5Very high97.2Very high109 Ų10934.6 Ų34.651%0.50518%0.184SC..  trans-97.9161.2174.9-70.1-95.7000111.7F57 G132 Q133F57-H130 AromaticContact CD2-CE1 3.99Å; F57-H130 AromaticContact CD2-ND1 3.66Å; F57-H130 AromaticContact CE2-CE1 3.36Å; F57-H130 WeakPolarHBondContact CE2-CE1 3.19Å; F57-H130 AromaticContact CE2-ND1 3.54Å; F57-H130 AromaticContact CE2-NE2 3.77Å; H130-G132 PolarHBondContact O-N 3.34Å; H130-Q133 HydrophobicContact CB-CB 4.45Å; H130-Q133 WeakPolarHBondContact O-CB 3.45Å; H130-Q133 PolarHBondContact O-N 3.42Å
131I97.9Very high97.2Very high115 Ų11538.4 Ų38.459%0.5920%0.198SC*.THydrogen-bonded Turntrans-59.7131.6171.9-56.2173.4000108.2F57 Q133F57-I131 HydrophobicContact CB-CG1 4.39Å; I131-Q133 VanDerWaalsContact C-N 3.27Å; I131-Q133 PolarHBondContact O-N 3.32Å
132G97Very high97.3Very high53 Ų5334.2 Ų34.255%0.54618%0.183SC..THydrogen-bonded Turntrans80.5-1.5-176.200000114.7V53 S54 H130V53-G132 VanDerWaalsContact CG1-O 3.3Å; V53-G132 WeakPolarHBondContact CG1-O 3.1Å; S54-G132 PolarHBondContact O-N 2.89Å; H130-G132 PolarHBondContact O-N 3.34Å
133Q98Very high97.3Very high67 Ų6739.1 Ų39.131%0.31320%0.203SC..  trans-76.8129.9179.5-170173.3-4.500111.7S54 V91 V129 H130 I131 L135S54-Q133 PolarHBondContact N-O 2.84Å; V91-Q133 HydrophobicContact CG1-CG 4.46Å; V129-Q133 VanDerWaalsContact CA-OE1 3.32Å; H130-Q133 HydrophobicContact CB-CB 4.45Å; H130-Q133 WeakPolarHBondContact O-CB 3.45Å; H130-Q133 PolarHBondContact O-N 3.42Å; I131-Q133 VanDerWaalsContact C-N 3.27Å; I131-Q133 PolarHBondContact O-N 3.32Å; Q133-L135 PolarHBondContact O-N 3.15Å
134V98Very high97.5Very high42 Ų4237.6 Ų37.626%0.25520%0.196SC..EExtended strand (participates in β ladder)trans-70.5126.3176.9-1760000110.6H51 V53 R90 S137H51-V134 HydrophobicContact CB-CG1 3.88Å; H51-V134 HydrophobicContact CB-CG2 4.4Å; V53-V134 HydrophobicContact CG2-CG2 4.07Å; R90-V134 WeakPolarHBondContact CB-O 3.18Å; R90-V134 HydrophobicContact CG-CG1 3.94Å; V134-S137 WeakPolarHBondContact CG1-OG 3.28Å
135L98Very high97.6Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-92.7-51.3178.3-55.2-176.9000112L52 I60 R90 V91 V129 Q133 F159 Q163L52-L135 WeakPolarHBondContact O-CB 3.07Å; L52-L135 PolarHBondContact O-N 3.48Å; I60-L135 HydrophobicContact CD1-CD1 3.56Å; I60-L135 HydrophobicContact CD1-CD2 3.63Å; I60-L135 HydrophobicContact CD1-CG 4.22Å; R90-L135 PolarHBondContact N-O 3.43Å; V91-L135 HydrophobicContact CG1-CD2 3.83Å; V91-L135 HydrophobicContact CG2-CD2 4.18Å; V129-L135 HydrophobicContact CB-CD2 4.13Å; V129-L135 HydrophobicContact CG1-CD2 3.65Å; Q133-L135 PolarHBondContact O-N 3.15Å; L135-F159 HydrophobicContact CB-CE2 4.32Å; L135-F159 HydrophobicContact CD1-CD2 3.72Å; L135-F159 HydrophobicContact CD1-CE2 3.84Å; L135-F159 HydrophobicContact CD1-CG 4.28Å; L135-F159 HydrophobicContact CD1-CZ 4.5Å; L135-Q163 HydrophobicContact CD1-CG 3.88Å
136I98.4Very high97.6Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-130.7137.4-177.5-52.4-175.5000108H51 L52 A68 V87 I89 V138 L152 F159H51-I136 CarbonylContact C-O 3.57Å; H51-I136 WeakPolarHBondContact CA-O 3.39Å; L52-I136 HydrophobicContact CB-CB 4.12Å; L52-I136 HydrophobicContact CD2-CD1 4.06Å; L52-I136 HydrophobicContact CD2-CG1 4.27Å; L52-I136 PolarHBondContact N-O 2.6Å; L52-I136 PolarHBondContact O-N 3.2Å; A68-I136 HydrophobicContact CB-CD1 4.08Å; V87-I136 HydrophobicContact CG1-CG2 3.65Å; I89-I136 HydrophobicContact CD1-CB 4.38Å; I89-I136 HydrophobicContact CD1-CD1 3.74Å; I89-I136 HydrophobicContact CD1-CG1 3.65Å; I89-I136 HydrophobicContact CD1-CG2 4.09Å; I136-V138 HydrophobicContact CG2-CG2 4.31Å; I136-L152 HydrophobicContact CB-CD2 4.12Å; I136-L152 HydrophobicContact CG2-CD2 3.84Å; I136-F159 HydrophobicContact CD1-CE2 4Å; I136-F159 HydrophobicContact CD1-CZ 4.12Å; I136-F159 HydrophobicContact CG1-CE2 4.36Å; I136-F159 HydrophobicContact CG1-CZ 4.47Å
137S98.3Very high97.6Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-122.7136171.6-54.70000109.2H51 V87 R88 R90 V134H51-S137 PolarHBondContact CE1-OG 3.23Å; H51-S137 WeakPolarHBondContact ND1-CB 3.38Å; H51-S137 PolarHBondContact ND1-OG 2.7Å; V87-S137 CarbonylContact C-O 3.49Å; V87-S137 WeakPolarHBondContact CA-O 3.37Å; R88-S137 PolarHBondContact N-O 3.38Å; R88-S137 PolarHBondContact O-N 2.8Å; R90-S137 WeakPolarHBondContact CD-OG 3.09Å; R90-S137 VanDerWaalsContact CG-OG 3.25Å; R90-S137 WeakPolarHBondContact CG-OG 3.49Å; V134-S137 WeakPolarHBondContact CG1-OG 3.28Å
138V98.1Very high97.6Very high0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-124.4126.9175.2-176.50000107.6C49 V50 L76 F85 H86 V87 I136 V148 L152C49-V138 CarbonylContact C-O 3.59Å; C49-V138 VanDerWaalsContact CA-O 3.32Å; C49-V138 WeakPolarHBondContact CA-O 3.47Å; C49-V138 PolarHBondContact SG-O 2.9Å; V50-V138 PolarHBondContact N-O 2.74Å; V50-V138 PolarHBondContact O-N 2.89Å; L76-V138 HydrophobicContact CD1-CG1 4.15Å; F85-V138 HydrophobicContact CB-CG1 4.5Å; H86-V138 WeakPolarHBondContact O-CA 3.41Å; V87-V138 HydrophobicContact CB-CG2 4.33Å; V87-V138 HydrophobicContact CG1-CG2 4.09Å; V87-V138 HydrophobicContact CG2-CB 4.45Å; V87-V138 HydrophobicContact CG2-CG1 4.07Å; V87-V138 HydrophobicContact CG2-CG2 3.79Å; I136-V138 HydrophobicContact CG2-CG2 4.31Å; V138-V148 HydrophobicContact CB-CG1 3.64Å; V138-V148 HydrophobicContact CG1-CG1 3.72Å; V138-V148 HydrophobicContact CG1-CG2 3.89Å; V138-V148 HydrophobicContact CG2-CG1 4.1Å; V138-L152 HydrophobicContact CG2-CD1 4.46Å; V138-L152 HydrophobicContact CG2-CD2 3.97Å; V138-L152 HydrophobicContact CG2-CG 4.38Å
139R97.6Very high97.6Very high0 Ų045.8 Ų45.80%025%0.249CC..EExtended strand (participates in β ladder)trans-109.2139.1166.267.9173.8-172.1152.1-2.1110.6A41 T42 F46 L48 H86 F173 S195A41-R139 PolarHBondContact O-NH2 3.3Å; T42-R139 PolarHBondContact O-NH1 3.44Å; F46-R139 HydrophobicContact CB-CB 3.99Å; F46-R139 HydrophobicContact CB-CG 3.8Å; F46-R139 HydrophobicContact CD2-CG 4.07Å; F46-R139 HydrophobicContact CG-CG 4.38Å; L48-R139 CarbonylContact O-C 3.54Å; L48-R139 WeakPolarHBondContact O-CA 3.3Å; H86-R139 HydrophobicContact CB-CG 3.71Å; H86-R139 PolarHBondContact N-O 3.48Å; H86-R139 PolarHBondContact ND1-NE 2.65Å; H86-R139 PolarHBondContact O-N 3.24Å; R139-F173 HydrophobicContact CB-CD1 3.97Å; R139-F173 HydrophobicContact CB-CE1 3.76Å; R139-F173 HydrophobicContact CB-CZ 4.3Å; R139-F173 HydrophobicContact CG-CD1 4.16Å; R139-F173 HydrophobicContact CG-CE1 3.9Å; R139-F173 HydrophobicContact CG-CE2 4.29Å; R139-F173 HydrophobicContact CG-CG 4.44Å; R139-F173 HydrophobicContact CG-CZ 3.97Å; R139-S195 PolarHBondContact NH1-O 2.93Å
140V97.5Very high97.6Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-155.4174.5-172.470.50000109.5F46 L48 T84 F85 H144 V148F46-V140 CarbonylContact C-O 3.56Å; L48-V140 HydrophobicContact CB-CG1 4.05Å; L48-V140 WeakPolarHBondContact CB-O 3.17Å; L48-V140 HydrophobicContact CD2-CG1 3.71Å; L48-V140 HydrophobicContact CG-CG1 4.11Å; L48-V140 PolarHBondContact N-O 2.86Å; L48-V140 PolarHBondContact O-N 3.19Å; T84-V140 VanDerWaalsContact O-CG2 3.3Å; T84-V140 WeakPolarHBondContact O-CG2 3.46Å; F85-V140 HydrophobicContact CB-CB 4.47Å; F85-V140 HydrophobicContact CB-CG2 4.16Å; V140-H144 HydrophobicContact CG1-CB 4.36Å; V140-H144 HydrophobicContact CG2-CB 3.5Å; V140-H144 VanDerWaalsContact CG2-CB 3.5Å; V140-V148 HydrophobicContact CB-CG2 4.1Å; V140-V148 HydrophobicContact CG1-CG2 3.61Å; V140-V148 HydrophobicContact CG2-CG2 4.31Å
141K96.7Very high97.7Very high88 Ų8842.6 Ų42.638%0.38324%0.235SC..  trans-74149.7164.1-62.9-176.8178.5-178.10111.4F46 H143 H144F46-K141 HydrophobicContact CD1-CG 4.08Å; F46-K141 HydrophobicContact CE1-CG 4.37Å; K141-H143 VanDerWaalsContact C-N 3.3Å; K141-H143 WeakPolarHBondContact CB-CE1 3.37Å; K141-H143 PolarHBondContact O-N 2.91Å; K141-H144 PolarHBondContact O-N 2.96Å; K141-H144 VanDerWaalsContact O-N 3.11Å
142D96.7Very high97.7Very high70 Ų7037.1 Ų37.137%0.37421%0.207SC..G310 helixtrans-57.9-35.9-171.1-70.9-64.4000115.1L48 H144 K145 R178L48-D142 WeakPolarHBondContact CB-OD1 3.47Å; D142-H144 PolarHBondContact O-N 2.7Å; D142-H144 VanDerWaalsContact O-N 3.09Å; D142-K145 VanDerWaalsContact O-CB 3.31Å; D142-K145 WeakPolarHBondContact O-CB 3.3Å; D142-K145 PolarHBondContact O-N 3.47Å; D142-R178 VanDerWaalsContact CG-NH2 3.25Å; D142-R178 IonicContact OD1-CZ 3.92Å; D142-R178 IonicContact OD1-NH1 2.69Å; D142-R178 PolarHBondContact OD1-NH1 2.93Å; D142-R178 IonicContact OD1-NH2 3.68Å; D142-R178 PolarHBondContact OD1-NH2 3.44Å; D142-R178 IonicContact OD2-CZ 3.35Å; D142-R178 IonicContact OD2-NH1 2.75Å; D142-R178 IonicContact OD2-NH2 3.06Å; D142-R178 PolarHBondContact OD2-NH2 3.29Å
143H96Very high97.7Very high133 Ų13338.8 Ų38.862%0.61620%0.196SC*.G310 helixtrans-62.6-19.6-178.857.8-97000113.4K141K141-H143 VanDerWaalsContact C-N 3.3Å; K141-H143 WeakPolarHBondContact CB-CE1 3.37Å; K141-H143 PolarHBondContact O-N 2.91Å
144H96.9Very high97.8Very high34 Ų3440.5 Ų40.516%0.15720%0.2CC..G310 helixtrans-92.410.3177.4-68.9-43.7000114C80 V140 K141 D142 A146 A147 V148C80-H144 VanDerWaalsContact SG-CG 3.53Å; V140-H144 HydrophobicContact CG1-CB 4.36Å; V140-H144 HydrophobicContact CG2-CB 3.5Å; V140-H144 VanDerWaalsContact CG2-CB 3.5Å; K141-H144 PolarHBondContact O-N 2.96Å; K141-H144 VanDerWaalsContact O-N 3.11Å; D142-H144 PolarHBondContact O-N 2.7Å; D142-H144 VanDerWaalsContact O-N 3.09Å; H144-A146 VanDerWaalsContact C-N 3.34Å; H144-A146 PolarHBondContact O-N 2.75Å; H144-A147 PolarHBondContact O-N 2.84Å; H144-A147 VanDerWaalsContact O-N 3.12Å; H144-V148 PolarHBondContact O-N 2.92Å
145K97.4Very high97.8Very high96 Ų9638.5 Ų38.542%0.41719%0.188SC..Hα-helixtrans-49.3-49.9-179.3-177.8174.8177.9-1790113.4L48 D142 A147 V148 I149L48-K145 HydrophobicContact CD2-CB 3.54Å; L48-K145 HydrophobicContact CD2-CG 3.94Å; D142-K145 VanDerWaalsContact O-CB 3.31Å; D142-K145 WeakPolarHBondContact O-CB 3.3Å; D142-K145 PolarHBondContact O-N 3.47Å; K145-A147 VanDerWaalsContact C-N 3.34Å; K145-A147 PolarHBondContact O-N 2.83Å; K145-V148 PolarHBondContact O-N 2.8Å; K145-I149 HydrophobicContact CG-CD1 4.02Å; K145-I149 WeakPolarHBondContact O-CG1 3.34Å; K145-I149 PolarHBondContact O-N 3.09Å
146A97.9Very high97.7Very high75 Ų7541.6 Ų41.662%0.6220%0.201SC*.Hα-helixtrans-61.7-41.8-178.400000112.1H144 V148 I149 E150H144-A146 VanDerWaalsContact C-N 3.34Å; H144-A146 PolarHBondContact O-N 2.75Å; A146-V148 PolarHBondContact O-N 2.83Å; A146-I149 PolarHBondContact O-N 3.25Å; A146-E150 PolarHBondContact O-N 3.3Å
147A97.9Very high97.7Very high16 Ų1648.7 Ų48.713%0.13223%0.229CC..Hα-helixtrans-65-38.6177.900000112Y75 A79 C80 H144 K145 E150 A151Y75-A147 HydrophobicContact CE1-CB 4.32Å; Y75-A147 VanDerWaalsContact CE1-O 3.23Å; Y75-A147 WeakPolarHBondContact CE1-O 3.34Å; A79-A147 HydrophobicContact CB-CB 4.07Å; C80-A147 WeakPolarHBondContact SG-CB 3.4Å; H144-A147 PolarHBondContact O-N 2.84Å; H144-A147 VanDerWaalsContact O-N 3.12Å; K145-A147 VanDerWaalsContact C-N 3.34Å; K145-A147 PolarHBondContact O-N 2.83Å; A147-E150 PolarHBondContact O-N 3.42Å; A147-A151 WeakPolarHBondContact O-CB 3.32Å; A147-A151 PolarHBondContact O-N 3.38Å
148V98Very high97.7Very high0 Ų053.4 Ų53.40%025%0.25CC..Hα-helixtrans-67.4-41.7176.6177.30000112.2V50 L76 V138 V140 H144 K145 A146 E150 A151 L152V50-V148 HydrophobicContact CB-CG1 3.65Å; V50-V148 HydrophobicContact CG1-CG1 4.29Å; V50-V148 HydrophobicContact CG2-CB 4.3Å; V50-V148 HydrophobicContact CG2-CG1 3.75Å; L76-V148 HydrophobicContact CD2-CG2 3.87Å; V138-V148 HydrophobicContact CB-CG1 3.64Å; V138-V148 HydrophobicContact CG1-CG1 3.72Å; V138-V148 HydrophobicContact CG1-CG2 3.89Å; V138-V148 HydrophobicContact CG2-CG1 4.1Å; V140-V148 HydrophobicContact CB-CG2 4.1Å; V140-V148 HydrophobicContact CG1-CG2 3.61Å; V140-V148 HydrophobicContact CG2-CG2 4.31Å; H144-V148 PolarHBondContact O-N 2.92Å; K145-V148 PolarHBondContact O-N 2.8Å; A146-V148 PolarHBondContact O-N 2.83Å; V148-E150 VanDerWaalsContact C-N 3.32Å; V148-E150 PolarHBondContact O-N 2.96Å; V148-A151 WeakPolarHBondContact O-CB 3.3Å; V148-A151 PolarHBondContact O-N 3.02Å; V148-L152 HydrophobicContact CG1-CD1 4.21Å; V148-L152 HydrophobicContact CG1-CG 4.44Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 2.96Å
149I98.3Very high97.6Very high63 Ų6354.2 Ų54.232%0.32325%0.253SS..Hα-helixtrans-59.9-45.7176.3-68.1169.3000110.2V50 K145 A146 A151 L152 R153 I165 V167V50-I149 HydrophobicContact CG1-CG1 4.42Å; K145-I149 HydrophobicContact CG-CD1 4.02Å; K145-I149 WeakPolarHBondContact O-CG1 3.34Å; K145-I149 PolarHBondContact O-N 3.09Å; A146-I149 PolarHBondContact O-N 3.25Å; I149-A151 PolarHBondContact O-N 2.78Å; I149-L152 PolarHBondContact O-N 3.41Å; I149-R153 WeakPolarHBondContact O-CB 3.42Å; I149-R153 PolarHBondContact O-N 3.38Å; I149-I165 HydrophobicContact CG1-CG2 4.4Å; I149-I165 HydrophobicContact CG2-CD1 4.45Å; I149-I165 HydrophobicContact CG2-CG2 4.49Å; I149-V167 HydrophobicContact CD1-CG2 4.37Å
150E98.1Very high97.6Very high43 Ų4356.1 Ų56.120%0.20127%0.265CS..Hα-helixtrans-65.5-38.7177.7177.454.6-160.500112.3Y75 A146 A147 V148 L152 R153 R154Y75-E150 HydrophobicContact CE1-CB 3.86Å; Y75-E150 HydrophobicContact CE1-CG 3.76Å; Y75-E150 HydrophobicContact CE2-CG 3.92Å; Y75-E150 VanDerWaalsContact OH-CG 3.31Å; Y75-E150 WeakPolarHBondContact OH-CG 3.34Å; A146-E150 PolarHBondContact O-N 3.3Å; A147-E150 PolarHBondContact O-N 3.42Å; V148-E150 VanDerWaalsContact C-N 3.32Å; V148-E150 PolarHBondContact O-N 2.96Å; E150-L152 PolarHBondContact O-N 2.96Å; E150-R153 PolarHBondContact O-N 3.29Å; E150-R153 IonicContact OE1-CZ 3.55Å; E150-R153 IonicContact OE1-NE 2.8Å; E150-R153 IonicContact OE1-NH2 2.65Å; E150-R153 PolarHBondContact OE1-NH2 3.38Å; E150-R153 IonicContact OE2-CZ 3.39Å; E150-R153 IonicContact OE2-NE 3.69Å; E150-R153 PolarHBondContact OE2-NE 3.44Å; E150-R153 IonicContact OE2-NH2 3.79Å; E150-R153 PolarHBondContact OE2-NH2 3.03Å; E150-R154 WeakPolarHBondContact O-CG 3.24Å; E150-R154 PolarHBondContact O-N 2.72Å; E150-R154 IonicContact OE1-CZ 3.42Å; E150-R154 IonicContact OE1-NE 3.5Å; E150-R154 PolarHBondContact OE1-NE 2.9Å; E150-R154 IonicContact OE1-NH2 3.79Å; E150-R154 PolarHBondContact OE1-NH2 3.03Å
151A98.3Very high97.5Very high0 Ų057.8 Ų57.80%028%0.283CS..Hα-helixtrans-58.4-48.6174.700000111.7Y75 L76 A147 V148 I149 R153 R154 S155Y75-A151 HydrophobicContact CD1-CB 3.73Å; Y75-A151 HydrophobicContact CG-CB 4.49Å; L76-A151 HydrophobicContact CD1-CB 4.18Å; L76-A151 HydrophobicContact CD2-CB 3.78Å; L76-A151 HydrophobicContact CG-CB 3.67Å; A147-A151 WeakPolarHBondContact O-CB 3.32Å; A147-A151 PolarHBondContact O-N 3.38Å; V148-A151 WeakPolarHBondContact O-CB 3.3Å; V148-A151 PolarHBondContact O-N 3.02Å; I149-A151 PolarHBondContact O-N 2.78Å; A151-R153 VanDerWaalsContact C-N 3.35Å; A151-R154 PolarHBondContact O-N 3.37Å; A151-S155 PolarHBondContact O-N 2.74Å; A151-S155 PolarHBondContact O-OG 3.34Å
152L98.4Very high97.5Very high0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-69.5-33.2179.9-67.6-179.3000111.9V50 L52 I136 V138 V148 I149 E150 R154 S155 K156 I165V50-L152 HydrophobicContact CB-CD1 4.05Å; V50-L152 HydrophobicContact CG1-CD1 3.64Å; L52-L152 HydrophobicContact CB-CD1 4.36Å; L52-L152 HydrophobicContact CB-CD2 4.09Å; I136-L152 HydrophobicContact CB-CD2 4.12Å; I136-L152 HydrophobicContact CG2-CD2 3.84Å; V138-L152 HydrophobicContact CG2-CD1 4.46Å; V138-L152 HydrophobicContact CG2-CD2 3.97Å; V138-L152 HydrophobicContact CG2-CG 4.38Å; V148-L152 HydrophobicContact CG1-CD1 4.21Å; V148-L152 HydrophobicContact CG1-CG 4.44Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 2.96Å; I149-L152 PolarHBondContact O-N 3.41Å; E150-L152 PolarHBondContact O-N 2.96Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 3.44Å; L152-S155 PolarHBondContact O-N 2.9Å; L152-K156 PolarHBondContact O-N 3.45Å; L152-I165 HydrophobicContact CB-CD1 4.04Å; L152-I165 HydrophobicContact CB-CG1 4.12Å; L152-I165 HydrophobicContact CB-CG2 4.37Å; L152-I165 HydrophobicContact CD1-CG2 4.16Å
153R98.3Very high97.6Very high87 Ų8756.4 Ų56.433%0.32827%0.273SS..Hα-helixtrans-59.9-42.3171.3-167.9-163.766.3871.8111I149 E150 A151 K156 Y157 I165I149-R153 WeakPolarHBondContact O-CB 3.42Å; I149-R153 PolarHBondContact O-N 3.38Å; E150-R153 PolarHBondContact O-N 3.29Å; E150-R153 IonicContact OE1-CZ 3.55Å; E150-R153 IonicContact OE1-NE 2.8Å; E150-R153 IonicContact OE1-NH2 2.65Å; E150-R153 PolarHBondContact OE1-NH2 3.38Å; E150-R153 IonicContact OE2-CZ 3.39Å; E150-R153 IonicContact OE2-NE 3.69Å; E150-R153 PolarHBondContact OE2-NE 3.44Å; E150-R153 IonicContact OE2-NH2 3.79Å; E150-R153 PolarHBondContact OE2-NH2 3.03Å; A151-R153 VanDerWaalsContact C-N 3.35Å; R153-K156 VanDerWaalsContact O-CG 3.31Å; R153-K156 WeakPolarHBondContact O-CG 3.29Å; R153-K156 PolarHBondContact O-N 2.94Å; R153-Y157 HydrophobicContact CG-CE2 4.25Å; R153-Y157 VanDerWaalsContact NH1-CE2 3.33Å; R153-Y157 PolarHBondContact NH1-OH 2.82Å; R153-Y157 WeakPolarHBondContact O-CD2 3.48Å; R153-Y157 VanDerWaalsContact O-CE2 3.28Å; R153-Y157 WeakPolarHBondContact O-CE2 3.41Å; R153-I165 HydrophobicContact CB-CD1 3.92Å
154R98.3Very high97.7Very high103 Ų10353.4 Ų53.439%0.38926%0.259SS..Hα-helixtrans-67.6-40.6176.3-66.4175.3-176.6-142.3-0.6112.3C71 Y75 E150 A151 L152 K156C71-R154 VanDerWaalsContact SG-CB 3.6Å; Y75-R154 VanDerWaalsContact CE2-CZ 3.43Å; E150-R154 WeakPolarHBondContact O-CG 3.24Å; E150-R154 PolarHBondContact O-N 2.72Å; E150-R154 IonicContact OE1-CZ 3.42Å; E150-R154 IonicContact OE1-NE 3.5Å; E150-R154 PolarHBondContact OE1-NE 2.9Å; E150-R154 IonicContact OE1-NH2 3.79Å; E150-R154 PolarHBondContact OE1-NH2 3.03Å; A151-R154 PolarHBondContact O-N 3.37Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 3.44Å; R154-K156 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.39Å
155S97.9Very high97.7Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-64.5-35.6176.9-69.10000113.1A68 A72 A151 L152 Y157 K158A68-S155 PolarHBondContact O-OG 2.79Å; A72-S155 VanDerWaalsContact CB-OG 3.32Å; A72-S155 WeakPolarHBondContact CB-OG 3.36Å; A72-S155 PolarHBondContact N-OG 3.01Å; A151-S155 PolarHBondContact O-N 2.74Å; A151-S155 PolarHBondContact O-OG 3.34Å; L152-S155 PolarHBondContact O-N 2.9Å; S155-Y157 PolarHBondContact O-N 3.32Å; S155-K158 WeakPolarHBondContact O-CB 3.33Å; S155-K158 PolarHBondContact O-N 2.76Å
156K97.1Very high97.7Very high65 Ų6553.8 Ų53.828%0.28327%0.266SS..Hα-helixtrans-59.6-34.4-178.396.6-173179.3167.80112.9L52 L152 R153 R154 K158 F159 Q163L52-K156 HydrophobicContact CD1-CB 3.85Å; L52-K156 HydrophobicContact CD2-CB 4.37Å; L152-K156 PolarHBondContact O-N 3.45Å; R153-K156 VanDerWaalsContact O-CG 3.31Å; R153-K156 WeakPolarHBondContact O-CG 3.29Å; R153-K156 PolarHBondContact O-N 2.94Å; R154-K156 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.39Å; K156-K158 PolarHBondContact O-N 3.38Å; K156-F159 PolarHBondContact O-N 3.1Å; K156-Q163 HydrophobicContact CB-CB 4.19Å
157Y97.7Very high97.7Very high149 Ų14953.2 Ų53.258%0.58426%0.255SS*.THydrogen-bonded Turntrans-66.2-6176-65.3-75.3000114.4R153 S155R153-Y157 HydrophobicContact CG-CE2 4.25Å; R153-Y157 VanDerWaalsContact NH1-CE2 3.33Å; R153-Y157 PolarHBondContact NH1-OH 2.82Å; R153-Y157 WeakPolarHBondContact O-CD2 3.48Å; R153-Y157 VanDerWaalsContact O-CE2 3.28Å; R153-Y157 WeakPolarHBondContact O-CE2 3.41Å; S155-Y157 PolarHBondContact O-N 3.32Å
158K97.9Very high97.7Very high100 Ų10053.6 Ų53.644%0.43526%0.257SS..THydrogen-bonded Turntrans-91.4-12.2173-52.1-52.3176.1-168.70112.4A64 A67 A68 S155 K156A64-K158 WeakPolarHBondContact CB-O 3.48Å; A67-K158 HydrophobicContact CB-CB 4.3Å; A67-K158 HydrophobicContact CB-CD 4.43Å; A67-K158 HydrophobicContact CB-CG 4.25Å; A68-K158 HydrophobicContact CB-CB 3.99Å; A68-K158 HydrophobicContact CB-CG 4.44Å; S155-K158 WeakPolarHBondContact O-CB 3.33Å; S155-K158 PolarHBondContact O-N 2.76Å; K156-K158 PolarHBondContact O-N 3.38Å
159F97.4Very high97.7Very high16 Ų1662.8 Ų62.87%0.0729%0.292CS..SBendtrans-96.6149.5177.5-63.3-44.2000111.6L52 I60 A64 L65 A68 L135 I136 K156 Q163L52-F159 HydrophobicContact CD2-CD2 3.91Å; L52-F159 HydrophobicContact CD2-CE2 3.64Å; I60-F159 HydrophobicContact CD1-CD1 3.96Å; I60-F159 HydrophobicContact CD1-CE1 4.31Å; I60-F159 HydrophobicContact CD1-CG 4.2Å; I60-F159 HydrophobicContact CG1-CD1 4.44Å; I60-F159 HydrophobicContact CG2-CD1 3.44Å; I60-F159 VanDerWaalsContact CG2-CD1 3.44Å; I60-F159 HydrophobicContact CG2-CE1 3.48Å; I60-F159 VanDerWaalsContact CG2-CE1 3.48Å; A64-F159 HydrophobicContact CB-CD1 4.22Å; A64-F159 HydrophobicContact CB-CE1 4.43Å; L65-F159 HydrophobicContact CD2-CE1 3.75Å; L65-F159 HydrophobicContact CD2-CZ 3.92Å; L65-F159 HydrophobicContact CG-CE1 4.46Å; A68-F159 HydrophobicContact CB-CE1 3.74Å; A68-F159 HydrophobicContact CB-CE2 3.8Å; A68-F159 HydrophobicContact CB-CZ 3.31Å; L135-F159 HydrophobicContact CB-CE2 4.32Å; L135-F159 HydrophobicContact CD1-CD2 3.72Å; L135-F159 HydrophobicContact CD1-CE2 3.84Å; L135-F159 HydrophobicContact CD1-CG 4.28Å; L135-F159 HydrophobicContact CD1-CZ 4.5Å; I136-F159 HydrophobicContact CD1-CE2 4Å; I136-F159 HydrophobicContact CD1-CZ 4.12Å; I136-F159 HydrophobicContact CG1-CE2 4.36Å; I136-F159 HydrophobicContact CG1-CZ 4.47Å; K156-F159 PolarHBondContact O-N 3.1Å; F159-Q163 HydrophobicContact CD2-CG 4.43Å
160P96.7Very high97.6Very high40 Ų4063.6 Ų63.626%0.2629%0.293SS..SBendtrans-67.7162.1166.726.4-25.6000110.4R10 E58 Q163R10-P160 HydrophobicContact CG-CB 4.48Å; E58-P160 WeakPolarHBondContact OE2-CB 3.24Å; E58-P160 WeakPolarHBondContact OE2-CG 3.35Å; P160-Q163 PolarHBondContact O-NE2 2.91Å
161G95.3Very high97.6Very high35 Ų3562.4 Ų62.436%0.36129%0.286SS..SBendtrans68.2-158.6172.300000115.5E56 Q163E56-G161 VanDerWaalsContact CD-CA 3.47Å; E56-G161 WeakPolarHBondContact OE1-CA 3.47Å; G161-Q163 PolarHBondContact O-OE1 3.1Å
162K97Very high97.4Very high119 Ų11962.4 Ų62.452%0.51729%0.287SS..  trans-104.1134.7-178.4-170.9177176.6-160.40111.5D55 E56 H164D55-K162 HydrophobicContact CB-CB 4.13Å; D55-K162 HydrophobicContact CB-CG 4.31Å; D55-K162 VanDerWaalsContact CB-O 3.25Å; D55-K162 WeakPolarHBondContact CB-O 3.44Å; D55-K162 PolarHBondContact N-O 2.79Å; D55-K162 WeakPolarHBondContact OD2-CD 3.45Å; D55-K162 IonicContact OD2-NZ 2.7Å; E56-K162 PolarHBondContact OE1-N 3.22Å; K162-H164 VanDerWaalsContact CE-CE1 3.45Å; K162-H164 WeakPolarHBondContact CE-CE1 3.32Å
163Q97.9Very high97.4Very high10 Ų1063.4 Ų63.45%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-127.7147.6173.1-69.172.236.800111.3L52 V53 L135 K156 F159 P160 G161L52-Q163 HydrophobicContact CD1-CB 3.74Å; L52-Q163 HydrophobicContact CD1-CG 4.45Å; L52-Q163 HydrophobicContact CG-CB 4.28Å; V53-Q163 CarbonylContact O-C 3.37Å; V53-Q163 WeakPolarHBondContact O-CA 3.17Å; V53-Q163 VanDerWaalsContact O-CB 3.31Å; V53-Q163 WeakPolarHBondContact O-CB 3.48Å; L135-Q163 HydrophobicContact CD1-CG 3.88Å; K156-Q163 HydrophobicContact CB-CB 4.19Å; F159-Q163 HydrophobicContact CD2-CG 4.43Å; P160-Q163 PolarHBondContact O-NE2 2.91Å; G161-Q163 PolarHBondContact O-OE1 3.1Å
164H98.1Very high97.3Very high70 Ų7059.8 Ų59.832%0.32428%0.279SS..EExtended strand (participates in β ladder)trans-110.8144.5176.6-64.7-67.2000111L52 V53 D55 K162 L166L52-H164 WeakPolarHBondContact CA-O 3.3Å; V53-H164 PolarHBondContact N-O 2.88Å; V53-H164 PolarHBondContact O-N 2.99Å; D55-H164 IonicContact OD1-CD2 2.81Å; D55-H164 IonicContact OD1-NE2 3.82Å; D55-H164 IonicContact OD2-CD2 3.69Å; D55-H164 IonicContact OD2-CE1 3.41Å; D55-H164 IonicContact OD2-NE2 3.09Å; D55-H164 PolarHBondContact OD2-NE2 3.34Å; K162-H164 VanDerWaalsContact CE-CE1 3.45Å; K162-H164 WeakPolarHBondContact CE-CE1 3.32Å; H164-L166 HydrophobicContact CB-CD2 4.42Å
165I98.3Very high97.1Very high47 Ų4761.4 Ų61.424%0.24129%0.291CS..EExtended strand (participates in β ladder)trans-103.5118.3173.8-58.1169.2000106.5V50 H51 L52 I149 L152 R153V50-I165 HydrophobicContact CG1-CG2 3.58Å; H51-I165 CarbonylContact O-C 3.5Å; H51-I165 WeakPolarHBondContact O-CA 3.29Å; L52-I165 HydrophobicContact CD1-CG1 3.89Å; I149-I165 HydrophobicContact CG1-CG2 4.4Å; I149-I165 HydrophobicContact CG2-CD1 4.45Å; I149-I165 HydrophobicContact CG2-CG2 4.49Å; L152-I165 HydrophobicContact CB-CD1 4.04Å; L152-I165 HydrophobicContact CB-CG1 4.12Å; L152-I165 HydrophobicContact CB-CG2 4.37Å; L152-I165 HydrophobicContact CD1-CG2 4.16Å; R153-I165 HydrophobicContact CB-CD1 3.92Å
166L97.9Very high97Very high91 Ų9162.7 Ų62.748%0.47630%0.296SS..EExtended strand (participates in β ladder)trans-116.6130.5-177.4-58179.8000109.4V50 H51 V53 H164V50-L166 WeakPolarHBondContact CA-O 3.08Å; V50-L166 WeakPolarHBondContact CG1-O 3.18Å; H51-L166 PolarHBondContact N-O 3.03Å; H51-L166 PolarHBondContact O-N 3.36Å; V53-L166 HydrophobicContact CB-CD1 4.31Å; V53-L166 HydrophobicContact CG2-CD1 3.75Å; V53-L166 HydrophobicContact CG2-CG 4.19Å; H164-L166 HydrophobicContact CB-CD2 4.42Å
167V98Very high97Very high63 Ų6362.3 Ų62.338%0.38230%0.297SS..EExtended strand (participates in β ladder)trans-86.7119.3169.5-177.40000107.3L48 V50 I149L48-V167 HydrophobicContact CD1-CG1 3.88Å; V50-V167 HydrophobicContact CG1-CG2 4.41Å; V50-V167 HydrophobicContact CG2-CG2 4.45Å; I149-V167 HydrophobicContact CD1-CG2 4.37Å
168S97Very high96.9Very high25 Ų2558.2 Ų58.218%0.17528%0.281CS..  trans-75.4145.2-179-167.20000110.9C49 K170C49-S168 WeakPolarHBondContact O-CB 3.3Å; C49-S168 PolarHBondContact O-N 3.12Å; S168-K170 WeakPolarHBondContact OG-CB 3.2Å; S168-K170 PolarHBondContact OG-N 3.19Å; S168-K170 VanDerWaalsContact OG-N 3.16Å
169R97Very high96.8Very high193 Ų19359.6 Ų59.673%0.72829%0.293SS*.SBendtrans-80.8-6.4167.2-64.1-176.9-66.2170.91.3112.6D177 R178R169-D177 WeakPolarHBondContact O-CA 3.39Å; R169-R178 WeakPolarHBondContact O-CG 3.43Å; R169-R178 PolarHBondContact O-N 2.87Å
170K97.2Very high96.7Very high80 Ų8061.4 Ų61.435%0.34831%0.305SS..BIsolated β-bridgetrans-81.1152.5-178.2-59.1-171.9175.8-1480112.4S168 G172 T174 E175 F176S168-K170 WeakPolarHBondContact OG-CB 3.2Å; S168-K170 PolarHBondContact OG-N 3.19Å; S168-K170 VanDerWaalsContact OG-N 3.16Å; K170-G172 PolarHBondContact O-N 2.87Å; K170-T174 WeakPolarHBondContact CD-O 3.34Å; K170-E175 WeakPolarHBondContact CD-O 3.45Å; K170-E175 VanDerWaalsContact CE-O 3.32Å; K170-E175 WeakPolarHBondContact CE-O 3.26Å; K170-E175 PolarHBondContact NZ-O 3.48Å; K170-F176 CarbonylContact C-O 3.52Å; K170-F176 WeakPolarHBondContact CA-O 3.49Å; K170-F176 WeakPolarHBondContact CB-O 3.46Å
171W97Very high96.7Very high17 Ų1759.6 Ų59.66%0.06429%0.293CS..SBendtrans-74.7105.1172.3-172.5-83.2000110.7V43 P47 F173 T174 F176 R178 Y181 E182V43-W171 PolarHBondContact O-NE1 2.9Å; P47-W171 HydrophobicContact CB-CD2 3.74Å; P47-W171 HydrophobicContact CB-CE3 3.71Å; P47-W171 HydrophobicContact CB-CH2 3.53Å; P47-W171 HydrophobicContact CB-CZ2 3.55Å; P47-W171 HydrophobicContact CB-CZ3 3.6Å; P47-W171 HydrophobicContact CG-CH2 4.39Å; P47-W171 HydrophobicContact CG-CZ2 4.5Å; W171-F173 PolarHBondContact O-N 3.01Å; W171-T174 WeakPolarHBondContact O-CB 3.3Å; W171-T174 WeakPolarHBondContact O-CG2 3.25Å; W171-T174 PolarHBondContact O-N 3.38Å; W171-T174 PolarHBondContact O-OG1 3Å; W171-F176 PolarHBondContact N-O 3.47Å; W171-R178 HydrophobicContact CE3-CB 4.31Å; W171-R178 HydrophobicContact CE3-CG 4.19Å; W171-Y181 HydrophobicContact CB-CD1 4.13Å; W171-Y181 HydrophobicContact CB-CD2 3.86Å; W171-Y181 HydrophobicContact CB-CG 3.63Å; W171-Y181 AromaticContact CD1-CD1 3.84Å; W171-Y181 AromaticContact CD1-CD2 3.92Å; W171-Y181 AromaticContact CD1-CE1 3.68Å; W171-Y181 AromaticContact CD1-CE2 3.76Å; W171-Y181 AromaticContact CD1-CG 3.97Å; W171-Y181 AromaticContact CD1-CZ 3.66Å; W171-Y181 AromaticContact CD2-CD1 3.38Å; W171-Y181 HydrophobicContact CD2-CD1 3.38Å; W171-Y181 AromaticContact CD2-CE1 3.74Å; W171-Y181 HydrophobicContact CD2-CE1 3.74Å; W171-Y181 AromaticContact CD2-CG 3.87Å; W171-Y181 HydrophobicContact CD2-CG 3.87Å; W171-Y181 AromaticContact CE2-CD1 3.63Å; W171-Y181 AromaticContact CE2-CE1 3.46Å; W171-Y181 VanDerWaalsContact CE2-CE1 3.46Å; W171-Y181 AromaticContact CE3-CD1 3.79Å; W171-Y181 HydrophobicContact CE3-CD1 3.79Å; W171-Y181 HydrophobicContact CE3-CE1 4.45Å; W171-Y181 HydrophobicContact CE3-CG 4.33Å; W171-Y181 AromaticContact CG-CD1 3.54Å; W171-Y181 HydrophobicContact CG-CD1 3.54Å; W171-Y181 AromaticContact CG-CD2 3.85Å; W171-Y181 HydrophobicContact CG-CD2 3.85Å; W171-Y181 AromaticContact CG-CE1 3.87Å; W171-Y181 HydrophobicContact CG-CE1 3.87Å; W171-Y181 HydrophobicContact CG-CE2 4.16Å; W171-Y181 AromaticContact CG-CG 3.54Å; W171-Y181 HydrophobicContact CG-CG 3.54Å; W171-Y181 HydrophobicContact CZ2-CD1 4.2Å; W171-Y181 AromaticContact CZ2-CE1 3.94Å; W171-Y181 HydrophobicContact CZ2-CE1 3.94Å; W171-Y181 HydrophobicContact CZ3-CD1 4.34Å; W171-Y181 AromaticContact NE1-CD1 3.92Å; W171-Y181 AromaticContact NE1-CE1 3.46Å; W171-Y181 AromaticContact NE1-CZ 3.67Å; W171-E182 HydrophobicContact CZ3-CG 4.04Å; W171-E182 WeakPolarHBondContact CZ3-OE1 3.38Å
172G96.1Very high96.7Very high1 Ų162.9 Ų62.91%0.0130%0.299CS..THydrogen-bonded Turntrans53.6-124.7177.800000112.4F46 P47 C49 K170F46-G172 WeakPolarHBondContact O-CA 3.32Å; P47-G172 PolarHBondContact O-N 3.43Å; C49-G172 WeakPolarHBondContact CB-O 3.35Å; C49-G172 PolarHBondContact SG-O 3.47Å; C49-G172 VanDerWaalsContact SG-O 3.34Å; K170-G172 PolarHBondContact O-N 2.87Å
173F96.6Very high96.6Very high21 Ų2163 Ų639%0.09230%0.3CS..THydrogen-bonded Turntrans-94.55.6178.8-70.5-7.3000114.2H86 R88 R139 W171 N196H86-F173 AromaticContact CE1-CD2 3.83Å; H86-F173 AromaticContact CE1-CE2 3.35Å; H86-F173 WeakPolarHBondContact CE1-CE2 3.32Å; H86-F173 AromaticContact ND1-CD2 3.74Å; H86-F173 AromaticContact ND1-CE2 3.22Å; H86-F173 WeakPolarHBondContact ND1-CE2 3.38Å; H86-F173 AromaticContact ND1-CZ 3.98Å; R88-F173 HydrophobicContact CB-CE2 3.69Å; R88-F173 HydrophobicContact CB-CZ 3.86Å; R139-F173 HydrophobicContact CB-CD1 3.97Å; R139-F173 HydrophobicContact CB-CE1 3.76Å; R139-F173 HydrophobicContact CB-CZ 4.3Å; R139-F173 HydrophobicContact CG-CD1 4.16Å; R139-F173 HydrophobicContact CG-CE1 3.9Å; R139-F173 HydrophobicContact CG-CE2 4.29Å; R139-F173 HydrophobicContact CG-CG 4.44Å; R139-F173 HydrophobicContact CG-CZ 3.97Å; W171-F173 PolarHBondContact O-N 3.01Å; F173-N196 PolarHBondContact O-OD1 3.24Å
174T96.5Very high96.4Very high11 Ų1165.1 Ų65.17%0.06731%0.308CS..SBendtrans-75170.1179.573.60000111.6V43 K170 W171 F176 Y181 A197V43-T174 HydrophobicContact CG2-CG2 3.4Å; V43-T174 VanDerWaalsContact CG2-CG2 3.4Å; K170-T174 WeakPolarHBondContact CD-O 3.34Å; W171-T174 WeakPolarHBondContact O-CB 3.3Å; W171-T174 WeakPolarHBondContact O-CG2 3.25Å; W171-T174 PolarHBondContact O-N 3.38Å; W171-T174 PolarHBondContact O-OG1 3Å; T174-F176 PolarHBondContact OG1-N 3.38Å; T174-Y181 HydrophobicContact CG2-CD2 4.31Å; T174-Y181 HydrophobicContact CG2-CE2 3.98Å; T174-A197 HydrophobicContact CG2-CB 4.44Å
175E94.8Very high96.1Very high137 Ų13767.7 Ų67.764%0.6432%0.315SS*.SBendtrans-85.1-15.1174.965.3-169.7130.400113.9K170K170-E175 WeakPolarHBondContact CD-O 3.45Å; K170-E175 VanDerWaalsContact CE-O 3.32Å; K170-E175 WeakPolarHBondContact CE-O 3.26Å; K170-E175 PolarHBondContact NZ-O 3.48Å
176F95.5Very high95.8Very high26 Ų2669.8 Ų69.811%0.11434%0.339CS..SBendtrans-85.2139.2-173.2-49.4-66.4000111.8K170 W171 T174 Y181 Y184 L190 Y199K170-F176 CarbonylContact C-O 3.52Å; K170-F176 WeakPolarHBondContact CA-O 3.49Å; K170-F176 WeakPolarHBondContact CB-O 3.46Å; W171-F176 PolarHBondContact N-O 3.47Å; T174-F176 PolarHBondContact OG1-N 3.38Å; F176-Y181 HydrophobicContact CB-CD2 4.44Å; F176-Y181 HydrophobicContact CD2-CD2 4.12Å; F176-Y184 HydrophobicContact CD1-CD2 4.41Å; F176-Y184 HydrophobicContact CD1-CE2 4.34Å; F176-Y184 HydrophobicContact CE1-CE2 4.43Å; F176-L190 HydrophobicContact CD2-CD2 4.3Å; F176-L190 HydrophobicContact CE2-CD2 3.82Å; F176-L190 HydrophobicContact CZ-CD2 4.3Å; F176-Y199 HydrophobicContact CZ-CG 4.45Å
177D97Very high95.5Very high58 Ų5869.9 Ų69.931%0.3134%0.337SS..BIsolated β-bridgetrans-64.1153.1166.4-74.7-8.6000110.2R169 D179 V180 Y181R169-D177 WeakPolarHBondContact O-CA 3.39Å; D177-D179 VanDerWaalsContact C-N 3.35Å; D177-D179 PolarHBondContact O-N 2.91Å; D177-V180 HydrophobicContact CB-CG2 4.38Å; D177-V180 PolarHBondContact O-N 3.04Å; D177-V180 VanDerWaalsContact O-N 3.15Å; D177-Y181 PolarHBondContact O-N 2.82Å
178R95.8Very high95Very high62 Ų6269.3 Ų69.323%0.23434%0.344CS..Hα-helixtrans-55.7-47.2-171.9-67.9178.588.11628112.7P47 D142 R169 W171 V180 Y181 E182P47-R178 VanDerWaalsContact CB-NH2 3.32Å; D142-R178 VanDerWaalsContact CG-NH2 3.25Å; D142-R178 IonicContact OD1-CZ 3.92Å; D142-R178 IonicContact OD1-NH1 2.69Å; D142-R178 PolarHBondContact OD1-NH1 2.93Å; D142-R178 IonicContact OD1-NH2 3.68Å; D142-R178 PolarHBondContact OD1-NH2 3.44Å; D142-R178 IonicContact OD2-CZ 3.35Å; D142-R178 IonicContact OD2-NH1 2.75Å; D142-R178 IonicContact OD2-NH2 3.06Å; D142-R178 PolarHBondContact OD2-NH2 3.29Å; R169-R178 WeakPolarHBondContact O-CG 3.43Å; R169-R178 PolarHBondContact O-N 2.87Å; W171-R178 HydrophobicContact CE3-CB 4.31Å; W171-R178 HydrophobicContact CE3-CG 4.19Å; R178-V180 VanDerWaalsContact C-N 3.3Å; R178-V180 PolarHBondContact O-N 3.23Å; R178-Y181 WeakPolarHBondContact O-CB 3.21Å; R178-Y181 PolarHBondContact O-N 3.45Å; R178-E182 WeakPolarHBondContact O-CG 3.23Å; R178-E182 PolarHBondContact O-N 2.95Å
179D96.2Very high94.7Very high129 Ų12970.5 Ų70.569%0.6935%0.345SS*.Hα-helixtrans-63-39.2-178.7-43.8-28.9000111.4D177 K183D177-D179 VanDerWaalsContact C-N 3.35Å; D177-D179 PolarHBondContact O-N 2.91Å; D179-K183 WeakPolarHBondContact O-CB 3.17Å; D179-K183 PolarHBondContact O-N 3.09Å
180V95.8Very high94.5Very high55 Ų5562.2 Ų62.233%0.33332%0.315SS..Hα-helixtrans-69.4-40.3177.4179.90000111D177 R178 K183 Y184D177-V180 HydrophobicContact CB-CG2 4.38Å; D177-V180 PolarHBondContact O-N 3.04Å; D177-V180 VanDerWaalsContact O-N 3.15Å; R178-V180 VanDerWaalsContact C-N 3.3Å; R178-V180 PolarHBondContact O-N 3.23Å; V180-K183 PolarHBondContact O-N 2.9Å; V180-Y184 HydrophobicContact CG1-CD2 3.71Å; V180-Y184 HydrophobicContact CG1-CE1 4.5Å; V180-Y184 HydrophobicContact CG1-CE2 3.36Å; V180-Y184 HydrophobicContact CG1-CG 4.42Å; V180-Y184 PolarHBondContact O-N 2.77Å
181Y96.2Very high94.2Very high2 Ų261 Ų611%0.00831%0.314CS..Hα-helixtrans-61.3-46.9176.7-175.2-87.8000111.1V43 D44 W171 T174 F176 D177 R178 Y184 R185 L190 A197V43-Y181 WeakPolarHBondContact CG1-OH 3.2Å; V43-Y181 HydrophobicContact CG2-CE2 3.94Å; V43-Y181 WeakPolarHBondContact CG2-OH 3.42Å; D44-Y181 WeakPolarHBondContact OD1-CE1 3.38Å; D44-Y181 PolarHBondContact OD1-OH 3Å; W171-Y181 HydrophobicContact CB-CD1 4.13Å; W171-Y181 HydrophobicContact CB-CD2 3.86Å; W171-Y181 HydrophobicContact CB-CG 3.63Å; W171-Y181 AromaticContact CD1-CD1 3.84Å; W171-Y181 AromaticContact CD1-CD2 3.92Å; W171-Y181 AromaticContact CD1-CE1 3.68Å; W171-Y181 AromaticContact CD1-CE2 3.76Å; W171-Y181 AromaticContact CD1-CG 3.97Å; W171-Y181 AromaticContact CD1-CZ 3.66Å; W171-Y181 AromaticContact CD2-CD1 3.38Å; W171-Y181 HydrophobicContact CD2-CD1 3.38Å; W171-Y181 AromaticContact CD2-CE1 3.74Å; W171-Y181 HydrophobicContact CD2-CE1 3.74Å; W171-Y181 AromaticContact CD2-CG 3.87Å; W171-Y181 HydrophobicContact CD2-CG 3.87Å; W171-Y181 AromaticContact CE2-CD1 3.63Å; W171-Y181 AromaticContact CE2-CE1 3.46Å; W171-Y181 VanDerWaalsContact CE2-CE1 3.46Å; W171-Y181 AromaticContact CE3-CD1 3.79Å; W171-Y181 HydrophobicContact CE3-CD1 3.79Å; W171-Y181 HydrophobicContact CE3-CE1 4.45Å; W171-Y181 HydrophobicContact CE3-CG 4.33Å; W171-Y181 AromaticContact CG-CD1 3.54Å; W171-Y181 HydrophobicContact CG-CD1 3.54Å; W171-Y181 AromaticContact CG-CD2 3.85Å; W171-Y181 HydrophobicContact CG-CD2 3.85Å; W171-Y181 AromaticContact CG-CE1 3.87Å; W171-Y181 HydrophobicContact CG-CE1 3.87Å; W171-Y181 HydrophobicContact CG-CE2 4.16Å; W171-Y181 AromaticContact CG-CG 3.54Å; W171-Y181 HydrophobicContact CG-CG 3.54Å; W171-Y181 HydrophobicContact CZ2-CD1 4.2Å; W171-Y181 AromaticContact CZ2-CE1 3.94Å; W171-Y181 HydrophobicContact CZ2-CE1 3.94Å; W171-Y181 HydrophobicContact CZ3-CD1 4.34Å; W171-Y181 AromaticContact NE1-CD1 3.92Å; W171-Y181 AromaticContact NE1-CE1 3.46Å; W171-Y181 AromaticContact NE1-CZ 3.67Å; T174-Y181 HydrophobicContact CG2-CD2 4.31Å; T174-Y181 HydrophobicContact CG2-CE2 3.98Å; F176-Y181 HydrophobicContact CB-CD2 4.44Å; F176-Y181 HydrophobicContact CD2-CD2 4.12Å; D177-Y181 PolarHBondContact O-N 2.82Å; R178-Y181 WeakPolarHBondContact O-CB 3.21Å; R178-Y181 PolarHBondContact O-N 3.45Å; Y181-Y184 PolarHBondContact O-N 2.66Å; Y181-R185 WeakPolarHBondContact O-CB 3.33Å; Y181-R185 PolarHBondContact O-N 3.39Å; Y181-L190 HydrophobicContact CD1-CD1 4.41Å; Y181-L190 HydrophobicContact CD2-CD1 3.55Å; Y181-L190 HydrophobicContact CE1-CD1 4.42Å; Y181-L190 HydrophobicContact CE2-CD1 3.57Å; Y181-L190 HydrophobicContact CG-CD1 3.98Å; Y181-L190 WeakPolarHBondContact O-CD1 3.38Å; Y181-A197 HydrophobicContact CE2-CB 3.88Å
182E94.5Very high94Very high103 Ų10363.9 Ų63.948%0.48134%0.335SS..Hα-helixtrans-62.5-43.2178.3-71.8177.4177.400111.7W171 R178 R185 A186W171-E182 HydrophobicContact CZ3-CG 4.04Å; W171-E182 WeakPolarHBondContact CZ3-OE1 3.38Å; R178-E182 WeakPolarHBondContact O-CG 3.23Å; R178-E182 PolarHBondContact O-N 2.95Å; E182-R185 PolarHBondContact O-N 3.01Å; E182-A186 WeakPolarHBondContact O-CB 3.15Å; E182-A186 PolarHBondContact O-N 3.47Å
183K95.2Very high93.8Very high123 Ų12367.7 Ų67.754%0.53536%0.355SS..Hα-helixtrans-58.7-54.6174.3178.6176.5175.1176.20112.2D179 V180 R185 A186 E187D179-K183 WeakPolarHBondContact O-CB 3.17Å; D179-K183 PolarHBondContact O-N 3.09Å; V180-K183 PolarHBondContact O-N 2.9Å; K183-R185 PolarHBondContact O-N 3.47Å; K183-A186 PolarHBondContact O-N 3.13Å; K183-A186 VanDerWaalsContact O-N 3.13Å; K183-E187 WeakPolarHBondContact CE-OE1 3.46Å; K183-E187 WeakPolarHBondContact CG-OE1 3.31Å; K183-E187 IonicContact NZ-OE1 2.96Å; K183-E187 WeakPolarHBondContact O-CG 3.45Å; K183-E187 PolarHBondContact O-N 3.05Å
184Y93.9Very high93.7Very high54 Ų5469 Ų6921%0.21238%0.375CS..Hα-helixtrans-67-27.4-178.7-67.4-22.9000113.1F176 V180 Y181 G188 R189 Y199F176-Y184 HydrophobicContact CD1-CD2 4.41Å; F176-Y184 HydrophobicContact CD1-CE2 4.34Å; F176-Y184 HydrophobicContact CE1-CE2 4.43Å; V180-Y184 HydrophobicContact CG1-CD2 3.71Å; V180-Y184 HydrophobicContact CG1-CE1 4.5Å; V180-Y184 HydrophobicContact CG1-CE2 3.36Å; V180-Y184 HydrophobicContact CG1-CG 4.42Å; V180-Y184 PolarHBondContact O-N 2.77Å; Y181-Y184 PolarHBondContact O-N 2.66Å; Y184-G188 PolarHBondContact O-N 3.3Å; Y184-R189 PolarHBondContact O-N 2.98Å; Y184-Y199 HydrophobicContact CD1-CE2 4.11Å; Y184-Y199 AromaticContact CD2-CD2 3.87Å; Y184-Y199 HydrophobicContact CD2-CD2 3.87Å; Y184-Y199 AromaticContact CD2-CE2 3.65Å; Y184-Y199 HydrophobicContact CD2-CE2 3.65Å; Y184-Y199 HydrophobicContact CE1-CE2 4.13Å; Y184-Y199 HydrophobicContact CE2-CD2 4.16Å; Y184-Y199 AromaticContact CE2-CE2 3.67Å; Y184-Y199 HydrophobicContact CE2-CE2 3.67Å; Y184-Y199 HydrophobicContact CG-CD2 4.3Å; Y184-Y199 AromaticContact CG-CE2 3.88Å; Y184-Y199 HydrophobicContact CG-CE2 3.88Å; Y184-Y199 AromaticContact CZ-CE2 3.92Å
185R91.8Very high93.5Very high124 Ų12469.3 Ų69.347%0.46838%0.377SS..Hα-helixtrans-67.9-44.6171.3-173-179.2-173.6-151.62.5111.1D44 Y181 E182 K183 E187 G188 L190D44-R185 VanDerWaalsContact CG-CZ 3.4Å; D44-R185 IonicContact OD1-CZ 3.31Å; D44-R185 IonicContact OD1-NE 3.34Å; D44-R185 PolarHBondContact OD1-NE 3.5Å; D44-R185 IonicContact OD1-NH2 2.79Å; D44-R185 IonicContact OD2-CZ 3.77Å; D44-R185 VanDerWaalsContact OD2-CZ 3.31Å; D44-R185 IonicContact OD2-NE 3.81Å; D44-R185 PolarHBondContact OD2-NE 3.37Å; D44-R185 IonicContact OD2-NH2 3.61Å; D44-R185 PolarHBondContact OD2-NH2 2.7Å; Y181-R185 WeakPolarHBondContact O-CB 3.33Å; Y181-R185 PolarHBondContact O-N 3.39Å; E182-R185 PolarHBondContact O-N 3.01Å; K183-R185 PolarHBondContact O-N 3.47Å; R185-E187 VanDerWaalsContact C-N 3.33Å; R185-G188 PolarHBondContact O-N 3.06Å; R185-G188 VanDerWaalsContact O-N 3.12Å; R185-L190 HydrophobicContact CB-CD1 4.21Å
186A92.1Very high93.5Very high91 Ų9165.5 Ų65.575%0.75236%0.361SS*.Hα-helixtrans-64.5-36.7176.900000112.3E182 K183 G188E182-A186 WeakPolarHBondContact O-CB 3.15Å; E182-A186 PolarHBondContact O-N 3.47Å; K183-A186 PolarHBondContact O-N 3.13Å; K183-A186 VanDerWaalsContact O-N 3.13Å; A186-G188 PolarHBondContact O-N 3.14Å
187E90.9Very high93.4Very high92 Ų9264.9 Ų64.943%0.4336%0.361SS..THydrogen-bonded Turntrans-73.6-3.3174-67.7172.9-176.100113.6K183 R185 R189K183-E187 WeakPolarHBondContact CE-OE1 3.46Å; K183-E187 WeakPolarHBondContact CG-OE1 3.31Å; K183-E187 IonicContact NZ-OE1 2.96Å; K183-E187 WeakPolarHBondContact O-CG 3.45Å; K183-E187 PolarHBondContact O-N 3.05Å; R185-E187 VanDerWaalsContact C-N 3.33Å; E187-R189 HydrophobicContact CB-CG 3.82Å; E187-R189 PolarHBondContact O-N 3.38Å; E187-R189 WeakPolarHBondContact OE2-CD 3.45Å
188G88.8Confident93.2Very high52 Ų5267.9 Ų67.954%0.53637%0.371SS..THydrogen-bonded Turntrans69.717.3-177.300000114.3Y184 R185 A186 I200Y184-G188 PolarHBondContact O-N 3.3Å; R185-G188 PolarHBondContact O-N 3.06Å; R185-G188 VanDerWaalsContact O-N 3.12Å; A186-G188 PolarHBondContact O-N 3.14Å; G188-I200 WeakPolarHBondContact O-CD1 3.09Å
189R89.9Confident93Very high49 Ų4968.3 Ų68.319%0.18537%0.373CS..  trans-88.2-4.4-177.2-61.1-173.470.1163.710.9114.2Y184 E187 Y199 I200 V214Y184-R189 PolarHBondContact O-N 2.98Å; E187-R189 HydrophobicContact CB-CG 3.82Å; E187-R189 PolarHBondContact O-N 3.38Å; E187-R189 WeakPolarHBondContact OE2-CD 3.45Å; R189-Y199 HydrophobicContact CB-CD2 4.2Å; R189-Y199 HydrophobicContact CB-CE2 4Å; R189-Y199 VanDerWaalsContact CZ-CZ 3.49Å; R189-Y199 PolarHBondContact NH1-OH 2.8Å; R189-Y199 PolarHBondContact NH2-OH 3.48Å; R189-I200 PolarHBondContact NH2-O 2.95Å; R189-I200 PolarHBondContact O-N 2.91Å; R189-V214 HydrophobicContact CG-CG1 4.06Å
190L92.6Very high92.7Very high19 Ų1963.5 Ų63.510%0.09935%0.347CS..EExtended strand (participates in β ladder)trans-110.2124.1178.7-67.6176.9000111.1F176 Y181 R185 A197 K198 Y199F176-L190 HydrophobicContact CD2-CD2 4.3Å; F176-L190 HydrophobicContact CE2-CD2 3.82Å; F176-L190 HydrophobicContact CZ-CD2 4.3Å; Y181-L190 HydrophobicContact CD1-CD1 4.41Å; Y181-L190 HydrophobicContact CD2-CD1 3.55Å; Y181-L190 HydrophobicContact CE1-CD1 4.42Å; Y181-L190 HydrophobicContact CE2-CD1 3.57Å; Y181-L190 HydrophobicContact CG-CD1 3.98Å; Y181-L190 WeakPolarHBondContact O-CD1 3.38Å; R185-L190 HydrophobicContact CB-CD1 4.21Å; L190-A197 HydrophobicContact CB-CB 4.41Å; L190-A197 HydrophobicContact CD2-CB 4.14Å; L190-K198 WeakPolarHBondContact CA-O 3.19Å; L190-Y199 HydrophobicContact CD2-CD2 4.18Å
191V91.1Very high92.3Very high54 Ų5464.5 Ų64.533%0.32735%0.354SS..EExtended strand (participates in β ladder)trans-102.2120.8171-178.10000108.6D193 A197 K198 I200V191-D193 PolarHBondContact O-N 3.21Å; V191-A197 CarbonylContact O-C 3.46Å; V191-A197 WeakPolarHBondContact O-CA 3.32Å; V191-K198 HydrophobicContact CB-CB 4.42Å; V191-K198 PolarHBondContact N-O 3.32Å; V191-K198 PolarHBondContact O-N 3.38Å; V191-I200 HydrophobicContact CG2-CD1 3.62Å; V191-I200 HydrophobicContact CG2-CG1 3.94Å
192P92.1Very high91.6Very high78 Ų7865.9 Ų65.951%0.50637%0.369SS..EExtended strand (participates in β ladder)trans-58.1129174.5-25.935.2000112.1V43V43-P192 HydrophobicContact CG1-CB 4.04Å
193D92.8Very high91.1Very high81 Ų8171.7 Ų71.743%0.43339%0.386SS..EExtended strand (participates in β ladder)trans-128.571.5175.7-171.829.3000109.7V191 S195 N196 K198V191-D193 PolarHBondContact O-N 3.21Å; D193-S195 PolarHBondContact O-N 3.19Å; D193-S195 VanDerWaalsContact O-N 3.15Å; D193-N196 CarbonylContact C-O 3.6Å; D193-N196 WeakPolarHBondContact CA-O 3.31Å; D193-N196 PolarHBondContact N-O 3.33Å; D193-N196 PolarHBondContact O-N 3.16Å; D193-N196 VanDerWaalsContact O-N 3.12Å; D193-K198 HydrophobicContact CB-CD 4.26Å; D193-K198 HydrophobicContact CB-CG 4.03Å; D193-K198 IonicContact OD1-NZ 3.84Å; D193-K198 WeakPolarHBondContact OD2-CE 3.35Å; D193-K198 IonicContact OD2-NZ 3.64Å; D193-K198 PolarHBondContact OD2-NZ 3.09Å
194G93.4Very high90.7Very high49 Ų4968.4 Ų68.451%0.50539%0.388SS..THydrogen-bonded Turntrans63.6-112.3-176.600000112.5T42 V43 N196T42-G194 CarbonylContact C-O 3.36Å; T42-G194 WeakPolarHBondContact CA-O 3.37Å; V43-G194 PolarHBondContact N-O 3.16Å; G194-N196 VanDerWaalsContact C-N 3.31Å
195S93.3Very high90.4Very high17 Ų1770 Ų7012%0.11941%0.405CS..THydrogen-bonded Turntrans-80.8-10.2178.964.30000114.4R139 D193R139-S195 PolarHBondContact NH1-O 2.93Å; D193-S195 PolarHBondContact O-N 3.19Å; D193-S195 VanDerWaalsContact O-N 3.15Å
196N94.5Very high90.2Very high58 Ų5869.4 Ų69.431%0.3141%0.41SS..EExtended strand (participates in β ladder)trans-120.2178-178.6-70-34.4000110.4V43 F173 D193 G194V43-N196 WeakPolarHBondContact CB-O 3.32Å; V43-N196 WeakPolarHBondContact CG1-O 3.41Å; F173-N196 PolarHBondContact O-OD1 3.24Å; D193-N196 CarbonylContact C-O 3.6Å; D193-N196 WeakPolarHBondContact CA-O 3.31Å; D193-N196 PolarHBondContact N-O 3.33Å; D193-N196 PolarHBondContact O-N 3.16Å; D193-N196 VanDerWaalsContact O-N 3.12Å; G194-N196 VanDerWaalsContact C-N 3.31Å
197A93.6Very high90.1Very high13 Ų1368.7 Ų68.711%0.10740%0.399CS..EExtended strand (participates in β ladder)trans-125.2143.2170.700000109.6V43 T174 Y181 L190 V191V43-A197 HydrophobicContact CG1-CB 4.3Å; V43-A197 HydrophobicContact CG2-CB 4.23Å; T174-A197 HydrophobicContact CG2-CB 4.44Å; Y181-A197 HydrophobicContact CE2-CB 3.88Å; L190-A197 HydrophobicContact CB-CB 4.41Å; L190-A197 HydrophobicContact CD2-CB 4.14Å; V191-A197 CarbonylContact O-C 3.46Å; V191-A197 WeakPolarHBondContact O-CA 3.32Å
198K92.5Very high89.6Confident120 Ų12068.8 Ų68.852%0.52240%0.4SS..EExtended strand (participates in β ladder)trans-94131.5169.2-74.1176.2177.6158.50109.1L190 V191 D193L190-K198 WeakPolarHBondContact CA-O 3.19Å; V191-K198 HydrophobicContact CB-CB 4.42Å; V191-K198 PolarHBondContact N-O 3.32Å; V191-K198 PolarHBondContact O-N 3.38Å; D193-K198 HydrophobicContact CB-CD 4.26Å; D193-K198 HydrophobicContact CB-CG 4.03Å; D193-K198 IonicContact OD1-NZ 3.84Å; D193-K198 WeakPolarHBondContact OD2-CE 3.35Å; D193-K198 IonicContact OD2-NZ 3.64Å; D193-K198 PolarHBondContact OD2-NZ 3.09Å
199Y91.8Very high89.4Confident71 Ų7171.1 Ų71.128%0.27839%0.392SS..EExtended strand (participates in β ladder)trans-90.3130.2175.3175.9-112.3000111.3F176 Y184 R189 L190 T201F176-Y199 HydrophobicContact CZ-CG 4.45Å; Y184-Y199 HydrophobicContact CD1-CE2 4.11Å; Y184-Y199 AromaticContact CD2-CD2 3.87Å; Y184-Y199 HydrophobicContact CD2-CD2 3.87Å; Y184-Y199 AromaticContact CD2-CE2 3.65Å; Y184-Y199 HydrophobicContact CD2-CE2 3.65Å; Y184-Y199 HydrophobicContact CE1-CE2 4.13Å; Y184-Y199 HydrophobicContact CE2-CD2 4.16Å; Y184-Y199 AromaticContact CE2-CE2 3.67Å; Y184-Y199 HydrophobicContact CE2-CE2 3.67Å; Y184-Y199 HydrophobicContact CG-CD2 4.3Å; Y184-Y199 AromaticContact CG-CE2 3.88Å; Y184-Y199 HydrophobicContact CG-CE2 3.88Å; Y184-Y199 AromaticContact CZ-CE2 3.92Å; R189-Y199 HydrophobicContact CB-CD2 4.2Å; R189-Y199 HydrophobicContact CB-CE2 4Å; R189-Y199 VanDerWaalsContact CZ-CZ 3.49Å; R189-Y199 PolarHBondContact NH1-OH 2.8Å; R189-Y199 PolarHBondContact NH2-OH 3.48Å; L190-Y199 HydrophobicContact CD2-CD2 4.18Å; Y199-T201 HydrophobicContact CD1-CG2 3.92Å; Y199-T201 HydrophobicContact CE1-CG2 4.28Å; Y199-T201 PolarHBondContact O-N 3.41Å
200I88.8Confident89.1Confident28 Ų2875.6 Ų75.614%0.14441%0.413CS..  trans-81.1105.3175.4-61.2158000108.1G188 R189 V191 G202 H212 V214G188-I200 WeakPolarHBondContact O-CD1 3.09Å; R189-I200 PolarHBondContact NH2-O 2.95Å; R189-I200 PolarHBondContact O-N 2.91Å; V191-I200 HydrophobicContact CG2-CD1 3.62Å; V191-I200 HydrophobicContact CG2-CG1 3.94Å; I200-G202 VanDerWaalsContact C-N 3.29Å; I200-G202 PolarHBondContact O-N 2.92Å; I200-H212 HydrophobicContact CD1-CB 3.78Å; I200-H212 HydrophobicContact CG1-CB 4.39Å; I200-H212 HydrophobicContact CG2-CB 4.02Å; I200-V214 HydrophobicContact CG2-CG2 3.75Å
201T87.5Confident88.5Confident77 Ų7780.5 Ų80.547%0.47243%0.434SS..  trans-77.2-14.7-177.658.70000113.4Y199 R203Y199-T201 HydrophobicContact CD1-CG2 3.92Å; Y199-T201 HydrophobicContact CE1-CG2 4.28Å; Y199-T201 PolarHBondContact O-N 3.41Å; T201-R203 PolarHBondContact O-N 2.84Å; T201-R203 PolarHBondContact OG1-N 2.9Å
202G83.2Confident87.7Confident31 Ų3182.1 Ų82.132%0.3244%0.438SS..SBendtrans72.58.2-168.500000113.5I200 W209I200-G202 VanDerWaalsContact C-N 3.29Å; I200-G202 PolarHBondContact O-N 2.92Å; G202-W209 VanDerWaalsContact O-CD1 3.23Å
203R83.4Confident86.4Confident224 Ų22482.3 Ų82.385%0.84544%0.439SS*.  trans-109.8133.1178.5-58.4-179.8-177.4-178.4-0.6109.6T201T201-R203 PolarHBondContact O-N 2.84Å; T201-R203 PolarHBondContact OG1-N 2.9Å
204G85.8Confident85.2Confident55 Ų5580.2 Ų80.257%0.56743%0.429SS*.SBendtrans152.2-179.2-179.900000111.1L206G204-L206 PolarHBondContact O-N 3.16Å
205P89.4Confident83.5Confident88 Ų8888.7 Ų88.757%0.57146%0.463SS*.  trans-53.8136.8171.2-23.334000110.5S207 E208 W209P205-S207 PolarHBondContact O-N 3.01Å; P205-E208 PolarHBondContact O-N 3.14Å; P205-W209 PolarHBondContact O-N 3.14Å; P205-W209 VanDerWaalsContact O-N 3.09Å
206L86.9Confident83Confident111 Ų11192.3 Ų92.358%0.58148%0.48SS*.Hα-helixtrans-55.8-30.9-176.3-176.964.2000112.6G204 E208 W209 K210G204-L206 PolarHBondContact O-N 3.16Å; L206-E208 VanDerWaalsContact C-N 3.34Å; L206-E208 PolarHBondContact O-N 3.08Å; L206-W209 HydrophobicContact CD1-CE3 4.01Å; L206-W209 PolarHBondContact O-N 3.06Å; L206-K210 WeakPolarHBondContact O-CG 3.32Å; L206-K210 PolarHBondContact O-N 3.37Å
207S89.2Confident82.4Confident75 Ų7594.1 Ų94.152%0.52449%0.489SS..Hα-helixtrans-60.2-39174.251.20000113.3P205P205-S207 PolarHBondContact O-N 3.01Å
208E82.1Confident81.8Confident95 Ų9598.6 Ų98.644%0.44451%0.51SS..Hα-helixtrans-79-36.7176.5-64.4-56.7135.900111.3P205 L206 K210 K211P205-E208 PolarHBondContact O-N 3.14Å; L206-E208 VanDerWaalsContact C-N 3.34Å; L206-E208 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact C-N 3.3Å; E208-K210 PolarHBondContact O-N 2.94Å; E208-K211 WeakPolarHBondContact O-CB 3.3Å; E208-K211 PolarHBondContact O-N 3.36Å; E208-K211 VanDerWaalsContact O-N 3.11Å; E208-K211 IonicContact OE1-NZ 3.63Å; E208-K211 PolarHBondContact OE1-NZ 3.21Å; E208-K211 WeakPolarHBondContact OE2-CD 3.37Å; E208-K211 WeakPolarHBondContact OE2-CE 3.3Å; E208-K211 IonicContact OE2-NZ 3.97Å; E208-K211 PolarHBondContact OE2-NZ 3.12Å
209W83.3Confident81.1Confident100 Ų10097.4 Ų97.438%0.37951%0.51SS..Hα-helixtrans-58.8-42.4175.1-177.188.1000111.8G202 P205 L206 K211 H212G202-W209 VanDerWaalsContact O-CD1 3.23Å; P205-W209 PolarHBondContact O-N 3.14Å; P205-W209 VanDerWaalsContact O-N 3.09Å; L206-W209 HydrophobicContact CD1-CE3 4.01Å; L206-W209 PolarHBondContact O-N 3.06Å; W209-K211 PolarHBondContact O-N 3.29Å; W209-K211 VanDerWaalsContact O-N 3.16Å; W209-H212 CarbonylContact O-C 3.1Å; W209-H212 PolarHBondContact O-N 3.2Å
210K83.5Confident80.5Confident143 Ų14399 Ų9962%0.62252%0.524SS*.THydrogen-bonded Turntrans-60.4-23.5177-76.9179.9178.6-174.20114.1L206 E208 H212L206-K210 WeakPolarHBondContact O-CG 3.32Å; L206-K210 PolarHBondContact O-N 3.37Å; E208-K210 VanDerWaalsContact C-N 3.3Å; E208-K210 PolarHBondContact O-N 2.94Å; K210-H212 VanDerWaalsContact C-N 3.29Å
211K80.5Confident79.9Confident122 Ų122103.7 Ų103.753%0.5355%0.549SS..THydrogen-bonded Turntrans-75-23176.3-60.4178.6-169.1166.90112.4E208 W209E208-K211 WeakPolarHBondContact O-CB 3.3Å; E208-K211 PolarHBondContact O-N 3.36Å; E208-K211 VanDerWaalsContact O-N 3.11Å; E208-K211 IonicContact OE1-NZ 3.63Å; E208-K211 PolarHBondContact OE1-NZ 3.21Å; E208-K211 WeakPolarHBondContact OE2-CD 3.37Å; E208-K211 WeakPolarHBondContact OE2-CE 3.3Å; E208-K211 IonicContact OE2-NZ 3.97Å; E208-K211 PolarHBondContact OE2-NZ 3.12Å; W209-K211 PolarHBondContact O-N 3.29Å; W209-K211 VanDerWaalsContact O-N 3.16Å
212H74.6Confident79.4Confident88 Ų88105.6 Ų105.641%0.40756%0.555SS.*SBendtrans-137.467.1-178.3-60.9-62.6000109.7I200 W209 K210 V214I200-H212 HydrophobicContact CD1-CB 3.78Å; I200-H212 HydrophobicContact CG1-CB 4.39Å; I200-H212 HydrophobicContact CG2-CB 4.02Å; W209-H212 CarbonylContact O-C 3.1Å; W209-H212 PolarHBondContact O-N 3.2Å; K210-H212 VanDerWaalsContact C-N 3.29Å; H212-V214 PolarHBondContact O-N 3.5Å; H212-V214 VanDerWaalsContact O-N 3.08Å
213P64.8Low79.1Confident83 Ų83111.4 Ų111.454%0.53957%0.573SS.*  trans-61.2118178.825-30.6000108.4
214V66.4Low78.7Confident36 Ų36102 Ų10222%0.21855%0.55CS.*  trans-88.8111.7172.8-165.20000105.4R189 I200 H212R189-V214 HydrophobicContact CG-CG1 4.06Å; I200-V214 HydrophobicContact CG2-CG2 3.75Å; H212-V214 PolarHBondContact O-N 3.5Å; H212-V214 VanDerWaalsContact O-N 3.08Å
215N58Low78.1Confident228 Ų228106.3 Ų106.3100%1.21955%0.549SS*.  trans-65.80172.6-80.3-16.5000111.4

Retrieved 215 of 215 residues in 428.9 ms (Link to these results)

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