A0A060VP61_ONCMY Loading...

tRNA (guanine-N(7)-)-methyltransferase

Catalyzes the formation of N(7)-methylguanine at position 46 (m7G46) in tRNA.

AlphaFold DB , UniProt , Accession A0A060VP61, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene METTL1, Length 241 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
1M44Very low80.2Confident235 Ų235104 Ų104100%1.15853%0.525SS*.  0125.30-64.6-174.3-169.800106.9V3M1-V3 PolarHBondContact O-N 3.43Å
2S52.8Low80.3Confident119 Ų119111 Ų11183%0.83254%0.54SS*.  trans-63.9122.6176.146.80000108.9S4S2-S4 PolarHBondContact O-N 3.27Å; S2-S4 VanDerWaalsContact O-N 3.07Å
3V73.6Confident80.8Confident82 Ų82108.6 Ų108.650%0.49753%0.527SS..  trans-73.9102.1179.1-173.10000107.4M1 S100 A103M1-V3 PolarHBondContact O-N 3.43Å; V3-S100 WeakPolarHBondContact CG1-OG 3.34Å; V3-A103 HydrophobicContact CB-CB 4.15Å; V3-A103 HydrophobicContact CG2-CB 3.96Å
4S83.9Confident80.9Confident98 Ų98116.4 Ų116.469%0.68555%0.548SS*.PPolyproline II helixtrans-67.1146.1178.260.70000111.2S2 S100S2-S4 PolarHBondContact O-N 3.27Å; S2-S4 VanDerWaalsContact O-N 3.07Å; S4-S100 PolarHBondContact O-OG 2.92Å
5M91Very high80.7Confident91 Ų91112.5 Ų112.545%0.44854%0.543SS..PPolyproline II helixtrans-61135.8173.2-73.9-68.1-72.900111.2R97 S100 L101M5-R97 HydrophobicContact CE-CG 3.8Å; M5-S100 VanDerWaalsContact SD-CB 3.55Å; M5-L101 HydrophobicContact CE-CD2 4.44Å; M5-L101 HydrophobicContact CE-CG 4.49Å; M5-L101 HydrophobicContact SD-CD2 4.4Å; M5-L101 HydrophobicContact SD-CG 4.38Å
6P92.1Very high80.6Confident16 Ų16112.8 Ų112.810%0.10454%0.543CS..PPolyproline II helixtrans-66.4145.5178.828.9-36.2000110.9Y11 Y93 D96 R97P6-Y11 HydrophobicContact CB-CE2 3.92Å; P6-Y93 HydrophobicContact CB-CD2 3.82Å; P6-Y93 HydrophobicContact CB-CE2 3.77Å; P6-Y93 HydrophobicContact CG-CD2 3.95Å; P6-Y93 HydrophobicContact CG-CE2 3.69Å; P6-Y93 VanDerWaalsContact O-CE2 3.29Å; P6-Y93 WeakPolarHBondContact O-CE2 3.43Å; P6-D96 HydrophobicContact CB-CB 3.97Å; P6-D96 HydrophobicContact CG-CB 3.91Å; P6-R97 HydrophobicContact CG-CB 3.82Å
7Q90.1Very high80.5Confident95 Ų95107.6 Ų107.644%0.44452%0.522SS..PPolyproline II helixtrans-101.9118.4178.8-61.2-178-1.900110.9R9 Y10 Y11Q7-R9 HydrophobicContact CB-CG 4.21Å; Q7-R9 PolarHBondContact O-N 3.37Å; Q7-Y10 HydrophobicContact CB-CD2 3.79Å; Q7-Y10 HydrophobicContact CB-CE2 3.89Å; Q7-Y10 HydrophobicContact CG-CE2 4.39Å; Q7-Y10 PolarHBondContact O-N 3.27Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.44Å
8K86.4Confident80.8Confident61 Ų61104.8 Ų104.827%0.26551%0.51SS..G310 helixtrans-51.1-30.6-175.8-66.4179.6-176.8164.70114.4Y10 Y11 R12 Y65 Y93 E217K8-Y10 PolarHBondContact O-N 3.06Å; K8-Y10 VanDerWaalsContact O-N 3.14Å; K8-Y11 PolarHBondContact O-N 3.3Å; K8-R12 PolarHBondContact O-N 3.36Å; K8-Y65 HydrophobicContact CB-CE1 4.41Å; K8-Y65 HydrophobicContact CD-CD1 4.19Å; K8-Y65 HydrophobicContact CD-CE1 4.36Å; K8-Y65 HydrophobicContact CD-CG 4.42Å; K8-Y65 HydrophobicContact CG-CD1 4.09Å; K8-Y65 HydrophobicContact CG-CE1 4.1Å; K8-Y93 HydrophobicContact CB-CE2 4.24Å; K8-Y93 HydrophobicContact CG-CD2 4.22Å; K8-Y93 HydrophobicContact CG-CE1 4.12Å; K8-Y93 HydrophobicContact CG-CE2 3.48Å; K8-Y93 VanDerWaalsContact CG-CE2 3.48Å; K8-Y93 VanDerWaalsContact CG-CZ 3.43Å; K8-Y93 WeakPolarHBondContact CG-OH 3.42Å; K8-E217 IonicContact NZ-OE1 2.77Å; K8-E217 PolarHBondContact NZ-OE1 2.92Å; K8-E217 IonicContact NZ-OE2 2.81Å; K8-E217 PolarHBondContact NZ-OE2 3.47Å
9R88.7Confident81Confident152 Ų15299.8 Ų99.857%0.57449%0.486SS*.G310 helixtrans-55.5-29.9179.465.4177.6174.1175.4-1.2113.4Q7Q7-R9 HydrophobicContact CB-CG 4.21Å; Q7-R9 PolarHBondContact O-N 3.37Å
10Y89.4Confident81.1Confident147 Ų14799.3 Ų99.358%0.57648%0.484SS*.G310 helixtrans-84.7-14.2179.7-57-57000113.8Q7 K8Q7-Y10 HydrophobicContact CB-CD2 3.79Å; Q7-Y10 HydrophobicContact CB-CE2 3.89Å; Q7-Y10 HydrophobicContact CG-CE2 4.39Å; Q7-Y10 PolarHBondContact O-N 3.27Å; K8-Y10 PolarHBondContact O-N 3.06Å; K8-Y10 VanDerWaalsContact O-N 3.14Å
11Y89.9Confident81.3Confident48 Ų4896.1 Ų96.119%0.18847%0.474CS..G310 helixtrans-112.714-174.7-61.3-100.6000112.2P6 Q7 K8 Q13 K89 D92 Y93 D96P6-Y11 HydrophobicContact CB-CE2 3.92Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.44Å; K8-Y11 PolarHBondContact O-N 3.3Å; Y11-Q13 PolarHBondContact O-N 3.38Å; Y11-K89 WeakPolarHBondContact CB-O 3.42Å; Y11-K89 VanDerWaalsContact CD1-O 3.31Å; Y11-K89 WeakPolarHBondContact CD1-O 3.46Å; Y11-K89 VanDerWaalsContact O-CB 3.28Å; Y11-K89 WeakPolarHBondContact O-CB 3.41Å; Y11-D92 HydrophobicContact CD1-CB 4.18Å; Y11-D92 HydrophobicContact CE1-CB 4.13Å; Y11-Y93 AromaticContact CD2-CD2 3.68Å; Y11-Y93 HydrophobicContact CD2-CD2 3.68Å; Y11-Y93 HydrophobicContact CD2-CG 4.5Å; Y11-Y93 HydrophobicContact CE2-CD2 4.13Å; Y11-Y93 AromaticContact CG-CD2 3.89Å; Y11-Y93 HydrophobicContact CG-CD2 3.89Å; Y11-Y93 HydrophobicContact CG-CG 4.28Å; Y11-D96 WeakPolarHBondContact CE1-OD2 3.33Å; Y11-D96 PolarHBondContact OH-OD2 3.3Å
12R81.6Confident82.9Confident188 Ų18892.7 Ų92.771%0.70946%0.46SS*.  trans-64128.9-179.6-73.9-176.4175.4-177.1-0.5111.1K8K8-R12 PolarHBondContact O-N 3.36Å
13Q86.9Confident84.2Confident80 Ų8090 Ų9037%0.37443%0.434SS..  trans-135.8163.8171.3-175.3167.5-0.500109Y11 A15 K89Y11-Q13 PolarHBondContact O-N 3.38Å; Q13-A15 PolarHBondContact O-N 3.12Å; Q13-K89 HydrophobicContact CB-CB 4.27Å
14R82.6Confident84.8Confident218 Ų21892.2 Ų92.282%0.82345%0.448SS*.  trans-56.2137.6172.5-67.3-174.3-171179.43.7109.8H16 R87R14-H16 PolarHBondContact O-N 3.11Å; R14-R87 WeakPolarHBondContact O-CD 3.44Å
15A77.7Confident84.9Confident57 Ų5788.3 Ų88.347%0.47142%0.419SS..SBendtrans-61.2-45.6-176.400000111.7Q13 R87Q13-A15 PolarHBondContact O-N 3.12Å; A15-R87 WeakPolarHBondContact O-CD 3.2Å; A15-R87 PolarHBondContact O-NH1 3.29Å
16H78.6Confident84.7Confident118 Ų11892.6 Ų92.655%0.54644%0.438SS..  trans-94.2138.9-176.1-47.4154.5000111.7R14 D141R14-H16 PolarHBondContact O-N 3.11Å; H16-D141 VanDerWaalsContact CA-OD2 3.28Å; H16-D141 WeakPolarHBondContact CA-OD2 3.5Å; H16-D141 WeakPolarHBondContact CB-OD2 3.42Å; H16-D141 VanDerWaalsContact CD2-CG 3.44Å; H16-D141 IonicContact CD2-OD1 3.61Å; H16-D141 PolarHBondContact CD2-OD1 2.95Å; H16-D141 IonicContact CD2-OD2 2.85Å; H16-D141 PolarHBondContact CD2-OD2 3.1Å; H16-D141 IonicContact CG-OD1 2.8Å; H16-D141 IonicContact CG-OD2 3.69Å; H16-D141 IonicContact NE2-OD1 3.67Å
17S79.6Confident84.7Confident25 Ų2597.1 Ų97.118%0.17545%0.453CS..  trans-119.3149.2172.8-64.30000110.3P19 R87S17-P19 VanDerWaalsContact O-CD 3.27Å; S17-P19 WeakPolarHBondContact O-CD 3.26Å; S17-R87 VanDerWaalsContact OG-CG 3.25Å; S17-R87 WeakPolarHBondContact OG-CG 3.47Å
18N85.8Confident84.9Confident57 Ų5793.4 Ų93.431%0.30544%0.437SS..  trans-83.1111.3167176.58.1000107.8M20 A21 H23 W151N18-M20 PolarHBondContact O-N 3.24Å; N18-M20 WeakPolarHBondContact OD1-CB 3.44Å; N18-M20 PolarHBondContact OD1-N 2.83Å; N18-A21 HydrophobicContact CB-CB 4.08Å; N18-A21 WeakPolarHBondContact O-CB 3.37Å; N18-A21 PolarHBondContact O-N 3.22Å; N18-H23 PolarHBondContact O-NE2 3.49Å; N18-W151 HydrophobicContact CB-CH2 4.4Å; N18-W151 VanDerWaalsContact OD1-CE2 3.27Å; N18-W151 WeakPolarHBondContact OD1-CZ2 3.35Å; N18-W151 PolarHBondContact OD1-NE1 2.97Å
19P83.6Confident85.3Confident9 Ų996.2 Ų96.26%0.05846%0.46CS..THydrogen-bonded Turntrans-67.4-18.5179.528.3-34.7000112.5S17 I86 N118 M120 K121 W151S17-P19 VanDerWaalsContact O-CD 3.27Å; S17-P19 WeakPolarHBondContact O-CD 3.26Å; P19-I86 HydrophobicContact CB-CD1 4.29Å; P19-N118 PolarHBondContact O-ND2 3.14Å; P19-M120 HydrophobicContact CB-CE 4.41Å; P19-M120 HydrophobicContact CB-SD 3.38Å; P19-M120 WeakPolarHBondContact CB-SD 3.33Å; P19-M120 HydrophobicContact CG-CE 4.1Å; P19-M120 HydrophobicContact CG-SD 3.47Å; P19-M120 WeakPolarHBondContact CG-SD 3.32Å; P19-K121 VanDerWaalsContact O-CE 3.32Å; P19-K121 WeakPolarHBondContact O-CE 3.37Å; P19-W151 HydrophobicContact CG-CB 3.81Å; P19-W151 HydrophobicContact CG-CG 4.04Å
20M84.4Confident85.6Confident89 Ų8991 Ų9144%0.43845%0.446SS..THydrogen-bonded Turntrans-90.9-2.8178.4-58.8-60.7173.100113.3N18 M120N18-M20 PolarHBondContact O-N 3.24Å; N18-M20 WeakPolarHBondContact OD1-CB 3.44Å; N18-M20 PolarHBondContact OD1-N 2.83Å; M20-M120 HydrophobicContact CE-CE 4.01Å
21A83.8Confident85.9Confident33 Ų3385 Ų8527%0.27343%0.425SS..SBendtrans-68.3157.5175.500000111.5N18 H23N18-A21 HydrophobicContact CB-CB 4.08Å; N18-A21 WeakPolarHBondContact O-CB 3.37Å; N18-A21 PolarHBondContact O-N 3.22Å; A21-H23 PolarHBondContact O-CD2 3.41Å; A21-H23 VanDerWaalsContact O-CD2 3.25Å; A21-H23 PolarHBondContact O-N 3.05Å
22D78.1Confident86.1Confident163 Ų16389.4 Ų89.487%0.87245%0.447SS*.  trans-74.5111.3173.4-62.2-35.3000108.9
23H80.6Confident86.7Confident64 Ų6485.4 Ų85.430%0.29644%0.44SS..  trans-127.4135.8175.1-66.9-86.8000106.9N18 A21 F25N18-H23 PolarHBondContact O-NE2 3.49Å; A21-H23 PolarHBondContact O-CD2 3.41Å; A21-H23 VanDerWaalsContact O-CD2 3.25Å; A21-H23 PolarHBondContact O-N 3.05Å; H23-F25 HydrophobicContact CB-CD2 3.74Å; H23-F25 HydrophobicContact CB-CE1 4.32Å; H23-F25 HydrophobicContact CB-CE2 3.19Å; H23-F25 HydrophobicContact CB-CZ 3.48Å; H23-F25 VanDerWaalsContact CB-CZ 3.48Å; H23-F25 AromaticContact CG-CE2 3.85Å; H23-F25 AromaticContact CG-CZ 3.79Å; H23-F25 PolarHBondContact O-N 3.36Å
24T85.1Confident87.1Confident127 Ų12783.3 Ų83.378%0.77943%0.431SS*.  trans-76.7109.8169.6-45.60000108.2R116T24-R116 PolarHBondContact O-NH1 2.78Å; T24-R116 PolarHBondContact O-NH2 2.87Å
25F86.9Confident87.7Confident16 Ų1676.4 Ų76.47%0.0741%0.41CS..  trans-113.7144.5172.1-64.5-75.6000109.2H23 Y27 I86 R116 N118 Y122H23-F25 HydrophobicContact CB-CD2 3.74Å; H23-F25 HydrophobicContact CB-CE1 4.32Å; H23-F25 HydrophobicContact CB-CE2 3.19Å; H23-F25 HydrophobicContact CB-CZ 3.48Å; H23-F25 VanDerWaalsContact CB-CZ 3.48Å; H23-F25 AromaticContact CG-CE2 3.85Å; H23-F25 AromaticContact CG-CZ 3.79Å; H23-F25 PolarHBondContact O-N 3.36Å; F25-Y27 HydrophobicContact CB-CD1 4.16Å; F25-Y27 WeakPolarHBondContact O-CD1 3.47Å; F25-I86 HydrophobicContact CE1-CG1 4.21Å; F25-I86 HydrophobicContact CZ-CD1 4.33Å; F25-I86 HydrophobicContact CZ-CG1 3.63Å; F25-R116 HydrophobicContact CE1-CG 4.34Å; F25-N118 HydrophobicContact CD2-CB 4.38Å; F25-N118 HydrophobicContact CE2-CB 3.73Å; F25-N118 HydrophobicContact CZ-CB 3.94Å; F25-Y122 HydrophobicContact CB-CE2 4.08Å; F25-Y122 AromaticContact CD2-CE2 3.69Å; F25-Y122 HydrophobicContact CD2-CE2 3.69Å; F25-Y122 HydrophobicContact CE2-CE2 4.45Å; F25-Y122 HydrophobicContact CG-CE2 4.17Å
26E87.7Confident88.5Confident182 Ų18274.7 Ų74.785%0.8539%0.391SS*.  trans-88124.7163.6-68.2176.9-172.800107.6
27Y91.3Very high89.2Confident111 Ų11171.1 Ų71.144%0.43538%0.38SS..  trans-146.2144.8177.156.7-86.1000108.6F25 Y122F25-Y27 HydrophobicContact CB-CD1 4.16Å; F25-Y27 WeakPolarHBondContact O-CD1 3.47Å; Y27-Y122 HydrophobicContact CD1-CD1 4.07Å; Y27-Y122 HydrophobicContact CD1-CD2 4.16Å; Y27-Y122 AromaticContact CD1-CE1 3.86Å; Y27-Y122 HydrophobicContact CD1-CE1 3.86Å; Y27-Y122 AromaticContact CD1-CE2 3.93Å; Y27-Y122 HydrophobicContact CD1-CE2 3.93Å; Y27-Y122 HydrophobicContact CD1-CG 4.21Å; Y27-Y122 AromaticContact CD1-CZ 3.77Å; Y27-Y122 AromaticContact CD2-CD1 3.8Å; Y27-Y122 HydrophobicContact CD2-CD1 3.8Å; Y27-Y122 HydrophobicContact CD2-CE1 4.04Å; Y27-Y122 HydrophobicContact CD2-CG 4.36Å; Y27-Y122 HydrophobicContact CE1-CD1 4.25Å; Y27-Y122 AromaticContact CE1-CE1 3.62Å; Y27-Y122 HydrophobicContact CE1-CE1 3.62Å; Y27-Y122 HydrophobicContact CE1-CE2 4.14Å; Y27-Y122 AromaticContact CE1-CZ 3.54Å; Y27-Y122 AromaticContact CE2-CD1 3.99Å; Y27-Y122 HydrophobicContact CE2-CD1 3.99Å; Y27-Y122 AromaticContact CE2-CE1 3.8Å; Y27-Y122 HydrophobicContact CE2-CE1 3.8Å; Y27-Y122 AromaticContact CG-CD1 3.84Å; Y27-Y122 HydrophobicContact CG-CD1 3.84Å; Y27-Y122 HydrophobicContact CG-CD2 4.34Å; Y27-Y122 HydrophobicContact CG-CE1 4.07Å; Y27-Y122 AromaticContact CG-CG 3.99Å; Y27-Y122 HydrophobicContact CG-CG 3.99Å; Y27-Y122 AromaticContact CZ-CE1 3.59Å; Y27-Y122 AromaticContact CZ-CZ 3.97Å
28P94.4Very high89.9Confident16 Ų1677.1 Ų77.110%0.10441%0.405CS..  trans-70.4157.8177.633.2-38.8000110.7C30 D33 M34 N125 F126P28-C30 WeakPolarHBondContact CB-O 3.24Å; P28-D33 HydrophobicContact CB-CB 4.03Å; P28-M34 HydrophobicContact CB-CB 4.4Å; P28-M34 HydrophobicContact CG-CB 4.17Å; P28-M34 HydrophobicContact CG-SD 4.32Å; P28-N125 HydrophobicContact CG-CB 4.38Å; P28-N125 VanDerWaalsContact CG-O 3.24Å; P28-N125 WeakPolarHBondContact CG-O 3.46Å; P28-N125 WeakPolarHBondContact O-CB 3.2Å; P28-N125 PolarHBondContact O-ND2 3.07Å; P28-F126 HydrophobicContact CG-CD1 3.95Å; P28-F126 HydrophobicContact CG-CE1 4.1Å
29V93.8Very high90.4Very high121 Ų12176.1 Ų76.173%0.73340%0.399SS*.SBendtrans-69.1-45.7175.7176.80000109.7N125V29-N125 PolarHBondContact O-ND2 3.4Å
30C95.4Very high91Very high43 Ų4375.7 Ų75.729%0.29140%0.396SS..SBendtrans-137164.217364.70000111.5P28 E32 D33 N125P28-C30 WeakPolarHBondContact CB-O 3.24Å; C30-E32 WeakPolarHBondContact CB-OE2 3.48Å; C30-E32 PolarHBondContact O-N 3.33Å; C30-E32 VanDerWaalsContact O-N 3.11Å; C30-E32 PolarHBondContact SG-OE2 3.12Å; C30-D33 PolarHBondContact O-N 3.48Å; C30-N125 CarbonylContact C-O 3.54Å; C30-N125 VanDerWaalsContact C-O 3.3Å
31P95.9Very high91.5Very high20 Ų2074.5 Ų74.513%0.1340%0.395CS..G310 helixtrans-56.2-29.9-175.7-29.337.5000115.1D33 M34 P124 N125 F127P31-D33 VanDerWaalsContact C-N 3.26Å; P31-D33 PolarHBondContact O-N 2.93Å; P31-M34 WeakPolarHBondContact O-CB 3.46Å; P31-M34 PolarHBondContact O-N 3.31Å; P31-P124 VanDerWaalsContact CG-O 3.32Å; P31-P124 WeakPolarHBondContact CG-O 3.32Å; P31-N125 WeakPolarHBondContact CA-O 3.5Å; P31-N125 VanDerWaalsContact N-O 3.09Å; P31-F127 VanDerWaalsContact CG-C 3.48Å; P31-F127 WeakPolarHBondContact CG-O 3.45Å
32E94.1Very high91.9Very high141 Ų14177.8 Ų77.866%0.65941%0.405SS*.G310 helixtrans-68.2-24.6-179.8-60.173.5-15900112.9C30 M34C30-E32 WeakPolarHBondContact CB-OE2 3.48Å; C30-E32 PolarHBondContact O-N 3.33Å; C30-E32 VanDerWaalsContact O-N 3.11Å; C30-E32 PolarHBondContact SG-OE2 3.12Å; E32-M34 VanDerWaalsContact C-N 3.28Å; E32-M34 PolarHBondContact O-N 2.92Å
33D95.1Very high92.5Very high103 Ų10373.1 Ų73.155%0.55138%0.377SS*.G310 helixtrans-82.2-5.7178.3-66-23.7000112.6P28 C30 P31 D35P28-D33 HydrophobicContact CB-CB 4.03Å; C30-D33 PolarHBondContact O-N 3.48Å; P31-D33 VanDerWaalsContact C-N 3.26Å; P31-D33 PolarHBondContact O-N 2.93Å; D33-D35 PolarHBondContact O-N 3.07Å
34M95.1Very high92.9Very high37 Ų3772.8 Ų72.818%0.18238%0.375CS..  trans-79.2111.8-179.1-173.560.8-157.200111.5P28 P31 E32 W36 L39 L115 F126P28-M34 HydrophobicContact CB-CB 4.4Å; P28-M34 HydrophobicContact CG-CB 4.17Å; P28-M34 HydrophobicContact CG-SD 4.32Å; P31-M34 WeakPolarHBondContact O-CB 3.46Å; P31-M34 PolarHBondContact O-N 3.31Å; E32-M34 VanDerWaalsContact C-N 3.28Å; E32-M34 PolarHBondContact O-N 2.92Å; M34-W36 HydrophobicContact CB-CZ2 4.34Å; M34-W36 HydrophobicContact CE-CD2 4.43Å; M34-W36 HydrophobicContact CE-CE3 3.99Å; M34-W36 HydrophobicContact CE-CH2 4.39Å; M34-W36 HydrophobicContact CE-CZ3 3.96Å; M34-W36 HydrophobicContact CG-CD2 3.79Å; M34-W36 VanDerWaalsContact CG-CE2 3.4Å; M34-W36 HydrophobicContact CG-CE3 4.21Å; M34-W36 HydrophobicContact CG-CG 4.32Å; M34-W36 HydrophobicContact CG-CH2 3.98Å; M34-W36 HydrophobicContact CG-CZ2 3.54Å; M34-W36 HydrophobicContact CG-CZ3 4.29Å; M34-W36 PolarHBondContact O-N 2.99Å; M34-W36 VanDerWaalsContact O-N 3.14Å; M34-L39 HydrophobicContact CE-CD1 4.19Å; M34-L115 HydrophobicContact CE-CD1 3.78Å; M34-F126 HydrophobicContact CG-CD1 4.42Å; M34-F126 HydrophobicContact SD-CD1 3.9Å; M34-F126 HydrophobicContact SD-CE1 4.04Å
35D94.3Very high92.6Very high72 Ų7270.5 Ų70.539%0.38536%0.364SS..  trans-81.390.5173.6-17810.9000111.8D33 S37 Q38D33-D35 PolarHBondContact O-N 3.07Å; D35-S37 PolarHBondContact O-N 2.86Å; D35-S37 VanDerWaalsContact OD1-CB 3.28Å; D35-S37 WeakPolarHBondContact OD1-CB 3.31Å; D35-S37 PolarHBondContact OD1-N 3.31Å; D35-S37 VanDerWaalsContact OD1-N 3.08Å; D35-S37 PolarHBondContact OD1-OG 2.87Å; D35-S37 PolarHBondContact OD2-OG 3.38Å; D35-Q38 WeakPolarHBondContact OD2-CG 3.45Å; D35-Q38 PolarHBondContact OD2-NE2 3.07Å
36W95.3Very high91.6Very high22 Ų2276.1 Ų76.18%0.08340%0.395CS..G310 helixtrans-69.3-16.6177.3-65108.7000114M34 Q38 L39 Y40 F44 V56 L82 F126 F127M34-W36 HydrophobicContact CB-CZ2 4.34Å; M34-W36 HydrophobicContact CE-CD2 4.43Å; M34-W36 HydrophobicContact CE-CE3 3.99Å; M34-W36 HydrophobicContact CE-CH2 4.39Å; M34-W36 HydrophobicContact CE-CZ3 3.96Å; M34-W36 HydrophobicContact CG-CD2 3.79Å; M34-W36 VanDerWaalsContact CG-CE2 3.4Å; M34-W36 HydrophobicContact CG-CE3 4.21Å; M34-W36 HydrophobicContact CG-CG 4.32Å; M34-W36 HydrophobicContact CG-CH2 3.98Å; M34-W36 HydrophobicContact CG-CZ2 3.54Å; M34-W36 HydrophobicContact CG-CZ3 4.29Å; M34-W36 PolarHBondContact O-N 2.99Å; M34-W36 VanDerWaalsContact O-N 3.14Å; W36-Q38 PolarHBondContact O-N 3.15Å; W36-L39 HydrophobicContact CE3-CD1 4.01Å; W36-L39 HydrophobicContact CZ3-CD1 3.96Å; W36-L39 PolarHBondContact O-N 3.38Å; W36-L39 VanDerWaalsContact O-N 3.1Å; W36-Y40 HydrophobicContact CB-CD2 4.42Å; W36-Y40 HydrophobicContact CE3-CD2 4.41Å; W36-Y40 AromaticContact CE3-CE2 3.9Å; W36-Y40 HydrophobicContact CE3-CE2 3.9Å; W36-Y40 HydrophobicContact CZ3-CE2 4.46Å; W36-Y40 PolarHBondContact O-N 3.37Å; W36-F44 HydrophobicContact CB-CE2 3.79Å; W36-F44 HydrophobicContact CB-CZ 3.66Å; W36-V56 HydrophobicContact CD2-CG2 4Å; W36-V56 HydrophobicContact CE3-CG2 3.69Å; W36-V56 HydrophobicContact CH2-CG2 3.96Å; W36-V56 HydrophobicContact CZ2-CG2 4.23Å; W36-V56 HydrophobicContact CZ3-CG2 3.68Å; W36-L82 HydrophobicContact CH2-CD2 3.65Å; W36-L82 HydrophobicContact CZ3-CD1 4.2Å; W36-L82 HydrophobicContact CZ3-CD2 3.67Å; W36-L82 HydrophobicContact CZ3-CG 4.49Å; W36-F126 HydrophobicContact CH2-CB 4.5Å; W36-F126 WeakPolarHBondContact CZ2-O 3.44Å; W36-F127 AromaticContact CH2-CE1 3.86Å; W36-F127 HydrophobicContact CH2-CE1 3.86Å; W36-F127 HydrophobicContact CH2-CZ 4.44Å; W36-F127 HydrophobicContact CZ2-CD1 4.26Å; W36-F127 AromaticContact CZ2-CE1 3.96Å; W36-F127 HydrophobicContact CZ2-CE1 3.96Å
37S93.9Very high90.1Very high43 Ų4376.2 Ų76.230%0.30140%0.395SS..G310 helixtrans-64.8-28-176.975.90000112.5D35 L39 P41D35-S37 PolarHBondContact O-N 2.86Å; D35-S37 VanDerWaalsContact OD1-CB 3.28Å; D35-S37 WeakPolarHBondContact OD1-CB 3.31Å; D35-S37 PolarHBondContact OD1-N 3.31Å; D35-S37 VanDerWaalsContact OD1-N 3.08Å; D35-S37 PolarHBondContact OD1-OG 2.87Å; D35-S37 PolarHBondContact OD2-OG 3.38Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.02Å; S37-P41 VanDerWaalsContact O-CA 3.24Å; S37-P41 WeakPolarHBondContact O-CA 3.38Å; S37-P41 VanDerWaalsContact O-N 3.17Å
38Q93.6Very high88Confident150 Ų15079.6 Ų79.670%0.70142%0.415SS*.G310 helixtrans-66.5-31176.7-59.3-177.316.900112.5D35 W36D35-Q38 WeakPolarHBondContact OD2-CG 3.45Å; D35-Q38 PolarHBondContact OD2-NE2 3.07Å; W36-Q38 PolarHBondContact O-N 3.15Å
39L96.4Very high85.9Confident36 Ų3682.4 Ų82.419%0.18844%0.435CS..THydrogen-bonded Turntrans-90.8-33.2-178.8-64.5-176.1000112.3M34 W36 S37 P41 L82 R102 A113 L115M34-L39 HydrophobicContact CE-CD1 4.19Å; W36-L39 HydrophobicContact CE3-CD1 4.01Å; W36-L39 HydrophobicContact CZ3-CD1 3.96Å; W36-L39 PolarHBondContact O-N 3.38Å; W36-L39 VanDerWaalsContact O-N 3.1Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.02Å; L39-P41 VanDerWaalsContact C-CD 3.47Å; L39-L82 HydrophobicContact CD1-CD1 3.93Å; L39-R102 PolarHBondContact O-NH1 3.23Å; L39-R102 PolarHBondContact O-NH2 3.08Å; L39-A113 HydrophobicContact CB-CB 3.76Å; L39-A113 HydrophobicContact CD1-CB 4.21Å; L39-A113 HydrophobicContact CD2-CB 4.3Å; L39-A113 HydrophobicContact CG-CB 4.32Å; L39-L115 HydrophobicContact CD1-CD1 4.26Å
40Y96.5Very high83.7Confident0 Ų084 Ų840%045%0.445CS..  trans-128.755.1-173.1-52.3-76.8000112.6W36 E42 F43 F44 V56 L80 I81 Q110 N111 A113W36-Y40 HydrophobicContact CB-CD2 4.42Å; W36-Y40 HydrophobicContact CE3-CD2 4.41Å; W36-Y40 AromaticContact CE3-CE2 3.9Å; W36-Y40 HydrophobicContact CE3-CE2 3.9Å; W36-Y40 HydrophobicContact CZ3-CE2 4.46Å; W36-Y40 PolarHBondContact O-N 3.37Å; Y40-E42 VanDerWaalsContact C-N 3.27Å; Y40-E42 PolarHBondContact O-N 3.36Å; Y40-E42 VanDerWaalsContact O-N 3.1Å; Y40-F43 PolarHBondContact O-N 3.2Å; Y40-F44 WeakPolarHBondContact O-CD2 3.22Å; Y40-V56 HydrophobicContact CE2-CG2 3.64Å; Y40-L80 HydrophobicContact CD1-CD2 3.59Å; Y40-L80 HydrophobicContact CD1-CG 4.46Å; Y40-L80 HydrophobicContact CD2-CD1 3.93Å; Y40-L80 HydrophobicContact CD2-CD2 4.47Å; Y40-L80 HydrophobicContact CE1-CB 4.35Å; Y40-L80 HydrophobicContact CE1-CD2 4.03Å; Y40-L80 HydrophobicContact CE2-CD1 4.35Å; Y40-L80 HydrophobicContact CG-CD1 4.01Å; Y40-L80 HydrophobicContact CG-CD2 3.81Å; Y40-L80 HydrophobicContact CG-CG 4.43Å; Y40-I81 VanDerWaalsContact OH-C 3.22Å; Y40-I81 PolarHBondContact OH-O 3.45Å; Y40-Q110 WeakPolarHBondContact CD1-O 3.36Å; Y40-N111 WeakPolarHBondContact CE1-O 3.29Å; Y40-A113 HydrophobicContact CD1-CB 4.37Å; Y40-A113 HydrophobicContact CE1-CB 3.64Å; Y40-A113 HydrophobicContact CE2-CB 4.21Å
41P93.9Very high81.8Confident64 Ų6489.3 Ų89.342%0.41647%0.465SS..Hα-helixtrans-56.3-36.2-168.121.5-34.1000114.3S37 L39 F43 F44 S45S37-P41 VanDerWaalsContact O-CA 3.24Å; S37-P41 WeakPolarHBondContact O-CA 3.38Å; S37-P41 VanDerWaalsContact O-N 3.17Å; L39-P41 VanDerWaalsContact C-CD 3.47Å; P41-F43 PolarHBondContact O-N 3.22Å; P41-F44 PolarHBondContact O-N 3.44Å; P41-S45 PolarHBondContact O-N 2.96Å; P41-S45 VanDerWaalsContact O-N 3.14Å
42E92Very high80.2Confident103 Ų10397.2 Ų97.248%0.48150%0.498SS..Hα-helixtrans-68.4-18179.1-64.6-167.6-164.300114.1Y40 S45 Q110Y40-E42 VanDerWaalsContact C-N 3.27Å; Y40-E42 PolarHBondContact O-N 3.36Å; Y40-E42 VanDerWaalsContact O-N 3.1Å; E42-S45 PolarHBondContact O-OG 3.33Å; E42-Q110 HydrophobicContact CB-CB 4.45Å; E42-Q110 VanDerWaalsContact CD-CG 3.47Å; E42-Q110 HydrophobicContact CG-CG 4.36Å; E42-Q110 PolarHBondContact OE1-NE2 2.92Å; E42-Q110 PolarHBondContact OE1-OE1 3.23Å; E42-Q110 VanDerWaalsContact OE2-CG 3.29Å; E42-Q110 WeakPolarHBondContact OE2-CG 3.33Å
43F91.4Very high79.2Confident65 Ų6593.8 Ų93.829%0.28549%0.494SS..Hα-helixtrans-89.7-9.9177.1-74.7-100.9000113Y40 P41 A54 L80 Q110 N111Y40-F43 PolarHBondContact O-N 3.2Å; P41-F43 PolarHBondContact O-N 3.22Å; F43-A54 HydrophobicContact CB-CB 4.17Å; F43-A54 HydrophobicContact CD1-CB 4.27Å; F43-L80 HydrophobicContact CB-CD2 4.33Å; F43-L80 HydrophobicContact CD1-CD2 3.66Å; F43-L80 HydrophobicContact CD1-CG 4.3Å; F43-L80 HydrophobicContact CD2-CD2 3.67Å; F43-L80 HydrophobicContact CE1-CD2 3.78Å; F43-L80 HydrophobicContact CE2-CD2 3.8Å; F43-L80 HydrophobicContact CG-CD2 3.61Å; F43-L80 HydrophobicContact CG-CG 4.5Å; F43-L80 HydrophobicContact CZ-CD2 3.86Å; F43-Q110 HydrophobicContact CE2-CB 4.04Å; F43-N111 HydrophobicContact CE2-CB 3.89Å; F43-N111 HydrophobicContact CZ-CB 3.68Å
44F88.8Confident78.9Confident57 Ų5790.5 Ų90.525%0.2548%0.48CS..Hα-helixtrans-124.96.5-176.1-65.8-87.1000113.1W36 Y40 P41 A54 L80W36-F44 HydrophobicContact CB-CE2 3.79Å; W36-F44 HydrophobicContact CB-CZ 3.66Å; Y40-F44 WeakPolarHBondContact O-CD2 3.22Å; P41-F44 PolarHBondContact O-N 3.44Å; F44-A54 HydrophobicContact CZ-CB 4.24Å; F44-A54 WeakPolarHBondContact CZ-O 3.37Å; F44-L80 HydrophobicContact CE2-CD1 4.18Å; F44-L80 HydrophobicContact CZ-CD1 4.48Å
45S78.9Confident78.9Confident79 Ų7992.3 Ų92.355%0.55249%0.488SS*.SBendtrans-74.2-23.2-17850.10000114.3P41 E42P41-S45 PolarHBondContact O-N 2.96Å; P41-S45 VanDerWaalsContact O-N 3.14Å; E42-S45 PolarHBondContact O-OG 3.33Å
46D66.4Low79.1Confident134 Ų13488.9 Ų88.972%0.71747%0.47SS*.  trans-99.698-179.9-106.5-19.1000111.8Q48D46-Q48 PolarHBondContact O-N 3.28Å; D46-Q48 VanDerWaalsContact O-N 3.09Å
47H55.4Low79.2Confident184 Ų18490.3 Ų90.385%0.85248%0.478SS*.THydrogen-bonded Turntrans-691.7176.9-66.2-63.4000114.7
48Q46.9Very low79.5Confident182 Ų18288.5 Ų88.585%0.8546%0.464SS*.THydrogen-bonded Turntrans-106.5-0.2-168.8-71.2-167.87.700116D46D46-Q48 PolarHBondContact O-N 3.28Å; D46-Q48 VanDerWaalsContact O-N 3.09Å
49S51.1Low79.7Confident75 Ų7581.3 Ų81.352%0.52443%0.431SS..  trans-86.5128-176.686.80000112.9Q51S49-Q51 PolarHBondContact O-N 3.5Å; S49-Q51 VanDerWaalsContact O-N 3.13Å
50T46.9Very low79.8Confident154 Ų15479.8 Ų79.895%0.94542%0.423SS*.  trans-71.213.5163.750.50000112.5
51Q55.6Low79.9Confident154 Ų15480.2 Ų80.272%0.7243%0.425SS*.SBendtrans-87149.2178.6-73.1-175.4-500110.2S49 A53S49-Q51 PolarHBondContact O-N 3.5Å; S49-Q51 VanDerWaalsContact O-N 3.13Å; Q51-A53 PolarHBondContact O-N 3.46Å
52K62.7Low80.1Confident187 Ų18779.1 Ų79.181%0.81343%0.425SS*.PPolyproline II helixtrans-52.4126.5173.6-167.1178.3-178.3-176.10108.6A54K52-A54 PolarHBondContact O-N 2.98Å
53A73.6Confident80.3Confident69 Ų6974.6 Ų74.657%0.5741%0.405SS*.PPolyproline II helixtrans-50.9138.6-178.800000110.8Q51 Q55Q51-A53 PolarHBondContact O-N 3.46Å; A53-Q55 PolarHBondContact O-N 3.49Å
54A88Confident80.5Confident33 Ų3371.6 Ų71.627%0.27339%0.393SS..PPolyproline II helixtrans-58.5134.5175.100000109.4F43 F44 K52 L80F43-A54 HydrophobicContact CB-CB 4.17Å; F43-A54 HydrophobicContact CD1-CB 4.27Å; F44-A54 HydrophobicContact CZ-CB 4.24Å; F44-A54 WeakPolarHBondContact CZ-O 3.37Å; K52-A54 PolarHBondContact O-N 2.98Å; A54-L80 HydrophobicContact CB-CD1 3.93Å
55Q95.3Very high80.9Confident75 Ų7570.7 Ų70.735%0.3539%0.388SS..  trans-131.7148.8179.3-68.3-178.9-53.700109.1A53 E57 Q131A53-Q55 PolarHBondContact O-N 3.49Å; Q55-E57 PolarHBondContact O-N 2.98Å; Q55-Q131 HydrophobicContact CB-CG 4.31Å
56V98.2Very high81.8Confident0 Ų067 Ų670%036%0.362CS..EExtended strand (participates in β ladder)trans-60.5121.7168.2177.80000108.7W36 Y40 F58 L80 L82 F127 Q131 L132W36-V56 HydrophobicContact CD2-CG2 4Å; W36-V56 HydrophobicContact CE3-CG2 3.69Å; W36-V56 HydrophobicContact CH2-CG2 3.96Å; W36-V56 HydrophobicContact CZ2-CG2 4.23Å; W36-V56 HydrophobicContact CZ3-CG2 3.68Å; Y40-V56 HydrophobicContact CE2-CG2 3.64Å; V56-F58 WeakPolarHBondContact CG1-O 3.34Å; V56-L80 HydrophobicContact CG2-CB 4.23Å; V56-L82 HydrophobicContact CG1-CB 3.63Å; V56-L82 HydrophobicContact CG2-CB 4.36Å; V56-F127 HydrophobicContact CB-CE1 3.91Å; V56-F127 HydrophobicContact CG1-CE1 3.73Å; V56-F127 HydrophobicContact CG1-CZ 4.21Å; V56-Q131 WeakPolarHBondContact O-CG 3.28Å; V56-Q131 PolarHBondContact O-NE2 3.07Å; V56-Q131 VanDerWaalsContact O-NE2 3.16Å; V56-L132 HydrophobicContact CG1-CD2 4.23Å
57E98.4Very high83.3Confident52 Ų5260.9 Ų60.924%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-109.4-25.6178-63.3-157.1132.500112Q55 L80 L132 S133 K134 R167Q55-E57 PolarHBondContact O-N 2.98Å; E57-L80 PolarHBondContact N-O 3.2Å; E57-L132 CarbonylContact O-C 3.58Å; E57-L132 WeakPolarHBondContact O-CA 3.44Å; E57-S133 PolarHBondContact O-N 3.24Å; E57-S133 PolarHBondContact O-OG 2.91Å; E57-K134 PolarHBondContact O-N 2.76Å; E57-R167 IonicContact OE1-CZ 3.53Å; E57-R167 IonicContact OE1-NH1 3.53Å; E57-R167 PolarHBondContact OE1-NH1 3.22Å; E57-R167 IonicContact OE1-NH2 3.66Å; E57-R167 PolarHBondContact OE1-NH2 2.94Å
58F98.8Very high85.3Confident5 Ų552.2 Ų52.22%0.02229%0.291CS..EExtended strand (participates in β ladder)trans-115.8131.4-176.4-67.814.4000109.8V56 L72 F76 Q79 L80 I81 L82 S133 K134 F136V56-F58 WeakPolarHBondContact CG1-O 3.34Å; F58-L72 HydrophobicContact CD2-CD1 4.46Å; F58-F76 HydrophobicContact CE2-CB 4.02Å; F58-F76 AromaticContact CE2-CD1 3.91Å; F58-F76 HydrophobicContact CE2-CD1 3.91Å; F58-F76 AromaticContact CE2-CD2 3.78Å; F58-F76 HydrophobicContact CE2-CD2 3.78Å; F58-F76 HydrophobicContact CE2-CE1 4.32Å; F58-F76 HydrophobicContact CE2-CE2 4.21Å; F58-F76 AromaticContact CE2-CG 3.62Å; F58-F76 HydrophobicContact CE2-CG 3.62Å; F58-F76 HydrophobicContact CE2-CZ 4.46Å; F58-F76 HydrophobicContact CZ-CB 4.47Å; F58-F76 AromaticContact CZ-CD1 3.85Å; F58-F76 HydrophobicContact CZ-CD1 3.85Å; F58-F76 HydrophobicContact CZ-CE1 4.2Å; F58-F76 HydrophobicContact CZ-CG 4.04Å; F58-Q79 HydrophobicContact CE1-CB 4.26Å; F58-Q79 HydrophobicContact CE1-CG 3.93Å; F58-Q79 HydrophobicContact CE2-CB 4.41Å; F58-Q79 HydrophobicContact CZ-CB 4.16Å; F58-Q79 HydrophobicContact CZ-CG 3.88Å; F58-L80 PolarHBondContact N-O 3.35Å; F58-I81 HydrophobicContact CB-CB 4.1Å; F58-I81 HydrophobicContact CB-CG1 3.97Å; F58-I81 HydrophobicContact CB-CG2 3.8Å; F58-I81 HydrophobicContact CD2-CD1 3.95Å; F58-I81 HydrophobicContact CD2-CG1 3.89Å; F58-I81 HydrophobicContact CG-CG1 4.24Å; F58-I81 WeakPolarHBondContact O-CA 3.34Å; F58-L82 PolarHBondContact O-N 2.92Å; F58-S133 WeakPolarHBondContact CD1-OG 3.24Å; F58-S133 VanDerWaalsContact CE1-OG 3.24Å; F58-S133 WeakPolarHBondContact CE1-OG 3.45Å; F58-K134 WeakPolarHBondContact CA-O 3.39Å; F58-K134 HydrophobicContact CB-CB 4.5Å; F58-K134 HydrophobicContact CD1-CB 3.81Å; F58-K134 HydrophobicContact CD1-CD 4.08Å; F58-K134 HydrophobicContact CD1-CG 3.92Å; F58-K134 HydrophobicContact CD2-CD 4.19Å; F58-K134 HydrophobicContact CE1-CB 4.25Å; F58-K134 HydrophobicContact CE1-CD 3.72Å; F58-K134 HydrophobicContact CE1-CG 3.83Å; F58-K134 HydrophobicContact CE2-CD 3.8Å; F58-K134 HydrophobicContact CG-CB 4.01Å; F58-K134 HydrophobicContact CG-CD 4.35Å; F58-K134 HydrophobicContact CG-CG 4.44Å; F58-K134 HydrophobicContact CZ-CD 3.56Å; F58-K134 HydrophobicContact CZ-CG 4.22Å; F58-F136 HydrophobicContact CB-CE2 4.21Å; F58-F136 HydrophobicContact CD2-CE2 4.4Å; F58-F136 HydrophobicContact CG-CE2 4.47Å
59A98.8Very high87.8Confident0 Ų043.6 Ų43.60%025%0.251CS..EExtended strand (participates in β ladder)trans-124.9119.1178.700000111.9I61 L82 F127 L132 K134 M135 F136A59-I61 HydrophobicContact CB-CD1 3.93Å; A59-L82 CarbonylContact C-O 3.53Å; A59-L82 WeakPolarHBondContact CA-O 3.49Å; A59-F127 HydrophobicContact CB-CE2 4.43Å; A59-F127 HydrophobicContact CB-CZ 4.39Å; A59-L132 HydrophobicContact CB-CD1 3.8Å; A59-L132 HydrophobicContact CB-CD2 4.1Å; A59-K134 PolarHBondContact N-O 2.88Å; A59-M135 CarbonylContact O-C 3.58Å; A59-M135 WeakPolarHBondContact O-CA 3.37Å; A59-F136 WeakPolarHBondContact O-CD2 3.23Å; A59-F136 PolarHBondContact O-N 2.84Å
60D98.7Very high90Very high3 Ų341 Ų412%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-94.5103.2171.9-175.111.5000109.7C63 L68 L69 L82 L84 F136D60-C63 HydrophobicContact CB-CB 3.92Å; D60-C63 VanDerWaalsContact CG-CB 3.43Å; D60-C63 WeakPolarHBondContact OD2-CA 3.24Å; D60-C63 WeakPolarHBondContact OD2-CB 3.35Å; D60-L68 HydrophobicContact CB-CD2 4.13Å; D60-L69 HydrophobicContact CB-CD2 3.86Å; D60-L82 PolarHBondContact N-O 2.86Å; D60-L84 PolarHBondContact O-N 2.94Å; D60-F136 HydrophobicContact CB-CD2 4.49Å
61I98.3Very high92.4Very high9 Ų936.6 Ų36.65%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-87.8112.1-171.5-50.7-57000109.9A59 L84 A119 L123 M135 F136 F137 I153A59-I61 HydrophobicContact CB-CD1 3.93Å; I61-L84 HydrophobicContact CD1-CD1 3.72Å; I61-A119 HydrophobicContact CD1-CB 4.35Å; I61-A119 HydrophobicContact CG2-CB 3.49Å; I61-A119 VanDerWaalsContact CG2-CB 3.49Å; I61-L123 HydrophobicContact CD1-CD1 3.97Å; I61-M135 HydrophobicContact CD1-CE 4.15Å; I61-M135 HydrophobicContact CG1-CE 4.05Å; I61-F136 WeakPolarHBondContact CB-O 3.22Å; I61-F136 PolarHBondContact N-O 2.57Å; I61-F137 HydrophobicContact CB-CD1 3.8Å; I61-F137 HydrophobicContact CB-CE1 3.64Å; I61-F137 HydrophobicContact CB-CZ 4.26Å; I61-F137 HydrophobicContact CG1-CD1 4.29Å; I61-F137 HydrophobicContact CG1-CE1 3.74Å; I61-F137 HydrophobicContact CG1-CE2 4.46Å; I61-F137 HydrophobicContact CG1-CZ 3.85Å; I61-F137 HydrophobicContact CG2-CD1 4.01Å; I61-F137 HydrophobicContact CG2-CE1 3.65Å; I61-I153 HydrophobicContact CG2-CD1 4.05Å; I61-I153 HydrophobicContact CG2-CG1 4.02Å
62G97.1Very high94.5Very high41 Ų4129.3 Ų29.342%0.42317%0.167SC..THydrogen-bonded Turntrans75.548.3-171.400000111.3G64 L84G62-G64 PolarHBondContact O-N 3.38Å; G62-L84 WeakPolarHBondContact CA-O 3.27Å; G62-L84 PolarHBondContact N-O 2.79Å
63C97.3Very high96.2Very high8 Ų820.6 Ų20.65%0.05413%0.129CC..  trans-63-7.5-16866.90000115.7D60 Y65 G66 L69 L84D60-C63 HydrophobicContact CB-CB 3.92Å; D60-C63 VanDerWaalsContact CG-CB 3.43Å; D60-C63 WeakPolarHBondContact OD2-CA 3.24Å; D60-C63 WeakPolarHBondContact OD2-CB 3.35Å; C63-Y65 PolarHBondContact O-N 2.76Å; C63-G66 PolarHBondContact O-N 3.44Å; C63-L69 HydrophobicContact CB-CD1 4.49Å; C63-L84 PolarHBondContact N-O 3.38Å; C63-L84 VanDerWaalsContact N-O 3.15Å
64G96.1Very high97.3Very high3 Ų321.2 Ų21.23%0.03113%0.127CC..THydrogen-bonded Turntrans56.7-131.6-178.900000111G62 G66 E85 V90 V94G62-G64 PolarHBondContact O-N 3.38Å; G64-G66 PolarHBondContact O-N 3.17Å; G64-G66 VanDerWaalsContact O-N 3.14Å; G64-E85 VanDerWaalsContact CA-OE2 3.27Å; G64-E85 WeakPolarHBondContact CA-OE2 3.38Å; G64-E85 PolarHBondContact N-OE2 3.28Å; G64-V90 VanDerWaalsContact C-CG1 3.44Å; G64-V90 VanDerWaalsContact O-CG1 3.23Å; G64-V90 WeakPolarHBondContact O-CG1 3.32Å; G64-V94 WeakPolarHBondContact O-CG2 3.19Å
65Y96.4Very high97.7Very high37 Ų3722.7 Ų22.715%0.14513%0.131CC..THydrogen-bonded Turntrans-79.517.2178.7-66.1-83.2000114.2K8 C63 G67 V90 Y93 V94 R97 E217K8-Y65 HydrophobicContact CB-CE1 4.41Å; K8-Y65 HydrophobicContact CD-CD1 4.19Å; K8-Y65 HydrophobicContact CD-CE1 4.36Å; K8-Y65 HydrophobicContact CD-CG 4.42Å; K8-Y65 HydrophobicContact CG-CD1 4.09Å; K8-Y65 HydrophobicContact CG-CE1 4.1Å; C63-Y65 PolarHBondContact O-N 2.76Å; Y65-G67 PolarHBondContact O-N 3.18Å; Y65-V90 HydrophobicContact CD1-CG1 4.22Å; Y65-V90 HydrophobicContact CE1-CG1 4.29Å; Y65-V90 HydrophobicContact CG-CG1 4.38Å; Y65-Y93 AromaticContact CD1-CD1 3.46Å; Y65-Y93 HydrophobicContact CD1-CD1 3.46Å; Y65-Y93 VanDerWaalsContact CD1-CD1 3.46Å; Y65-Y93 AromaticContact CD1-CE1 3.73Å; Y65-Y93 HydrophobicContact CD1-CE1 3.73Å; Y65-Y93 AromaticContact CD1-CG 3.93Å; Y65-Y93 HydrophobicContact CD1-CG 3.93Å; Y65-Y93 HydrophobicContact CE1-CD1 4.28Å; Y65-Y93 HydrophobicContact CE1-CG 4.31Å; Y65-Y93 HydrophobicContact CG-CD1 4.38Å; Y65-Y93 HydrophobicContact CG-CE1 4.42Å; Y65-V94 VanDerWaalsContact C-CG2 3.4Å; Y65-R97 PolarHBondContact O-NH1 2.75Å; Y65-E217 HydrophobicContact CD2-CG 4.36Å
66G97.6Very high97.8Very high1 Ų120.9 Ų20.91%0.0112%0.121CC..THydrogen-bonded Turntrans71.525.5170.500000114.5C63 G64 L69 V70C63-G66 PolarHBondContact O-N 3.44Å; G64-G66 PolarHBondContact O-N 3.17Å; G64-G66 VanDerWaalsContact O-N 3.14Å; G66-L69 PolarHBondContact O-N 3.14Å; G66-V70 WeakPolarHBondContact O-CG2 3.22Å; G66-V70 PolarHBondContact O-N 2.88Å
67G97.6Very high97.7Very high7 Ų724.8 Ų24.87%0.07215%0.147CC..Hα-helixtrans-60.7-44.6-178.500000113Y65 E71 C215Y65-G67 PolarHBondContact O-N 3.18Å; G67-E71 PolarHBondContact O-N 2.88Å; G67-C215 WeakPolarHBondContact CA-O 3.13Å
68L98.3Very high97.5Very high1 Ų130.8 Ų30.81%0.00517%0.172CC..Hα-helixtrans-64.7-43.9177.7-178.371.5000111.8D60 V70 E71 L72 F136 L138 L212 C215 T216D60-L68 HydrophobicContact CB-CD2 4.13Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.09Å; L68-E71 PolarHBondContact O-N 3.11Å; L68-E71 VanDerWaalsContact O-N 3.13Å; L68-L72 HydrophobicContact CD1-CD1 3.87Å; L68-L72 HydrophobicContact CD1-CD2 4.2Å; L68-L72 HydrophobicContact CD1-CG 3.81Å; L68-L72 HydrophobicContact CD2-CD1 4.09Å; L68-L72 HydrophobicContact CG-CD1 3.74Å; L68-L72 HydrophobicContact CG-CG 3.96Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 2.76Å; L68-F136 HydrophobicContact CD2-CB 3.63Å; L68-F136 HydrophobicContact CD2-CD1 3.79Å; L68-F136 HydrophobicContact CD2-CD2 3.76Å; L68-F136 HydrophobicContact CD2-CE1 4.44Å; L68-F136 HydrophobicContact CD2-CE2 4.39Å; L68-F136 HydrophobicContact CD2-CG 3.43Å; L68-F136 VanDerWaalsContact CD2-CG 3.43Å; L68-L138 HydrophobicContact CB-CD1 4.23Å; L68-L138 HydrophobicContact CD1-CD1 4.05Å; L68-L138 HydrophobicContact CD2-CD1 3.71Å; L68-L138 HydrophobicContact CD2-CG 4.5Å; L68-L138 HydrophobicContact CG-CD1 4.21Å; L68-L212 HydrophobicContact CD1-CD2 4.02Å; L68-C215 WeakPolarHBondContact CD1-SG 2.91Å; L68-T216 HydrophobicContact CB-CG2 4.34Å
69L98.5Very high97.5Very high1 Ų133.2 Ų33.21%0.00518%0.183CC..Hα-helixtrans-53.2-51.6178.5-56.1176.9000111.2D60 C63 G66 E71 L72 S73 I81 V94 I98 I112D60-L69 HydrophobicContact CB-CD2 3.86Å; C63-L69 HydrophobicContact CB-CD1 4.49Å; G66-L69 PolarHBondContact O-N 3.14Å; L69-E71 VanDerWaalsContact C-N 3.3Å; L69-E71 PolarHBondContact O-N 3.49Å; L69-L72 PolarHBondContact O-N 3.16Å; L69-S73 WeakPolarHBondContact O-CB 3.47Å; L69-S73 PolarHBondContact O-N 3.26Å; L69-I81 HydrophobicContact CD2-CG2 3.64Å; L69-V94 HydrophobicContact CD1-CG1 4.07Å; L69-I98 HydrophobicContact CD1-CD1 4.39Å; L69-I112 HydrophobicContact CB-CB 4.33Å; L69-I112 HydrophobicContact CB-CD1 4.29Å; L69-I112 HydrophobicContact CB-CG2 4.15Å; L69-I112 WeakPolarHBondContact O-CG2 3.24Å
70V98Very high97.4Very high22 Ų2233.3 Ų33.313%0.13318%0.184CC..Hα-helixtrans-62.1-38.2-179.5176.10000111.7G66 L68 P74 L101 Y109 I112G66-V70 WeakPolarHBondContact O-CG2 3.22Å; G66-V70 PolarHBondContact O-N 2.88Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.09Å; V70-P74 VanDerWaalsContact O-CD 3.26Å; V70-P74 WeakPolarHBondContact O-CD 2.84Å; V70-L101 HydrophobicContact CG1-CD1 4.09Å; V70-L101 HydrophobicContact CG2-CD1 3.58Å; V70-Y109 HydrophobicContact CG1-CE1 3.87Å; V70-I112 HydrophobicContact CG2-CD1 4.21Å
71E98Very high97.4Very high61 Ų6133.2 Ų33.229%0.28518%0.183SC..Hα-helixtrans-70.2-40.3178.2-17170.3-168.900112.6G67 L68 L69 P74 L75 R211 C215G67-E71 PolarHBondContact O-N 2.88Å; L68-E71 PolarHBondContact O-N 3.11Å; L68-E71 VanDerWaalsContact O-N 3.13Å; L69-E71 VanDerWaalsContact C-N 3.3Å; L69-E71 PolarHBondContact O-N 3.49Å; E71-P74 WeakPolarHBondContact O-CD 3.42Å; E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-R211 HydrophobicContact CG-CB 4.11Å; E71-R211 HydrophobicContact CG-CG 4.08Å; E71-R211 WeakPolarHBondContact OE1-CD 3.46Å; E71-R211 IonicContact OE1-CZ 3.39Å; E71-R211 IonicContact OE1-NE 3.61Å; E71-R211 IonicContact OE1-NH1 2.77Å; E71-R211 PolarHBondContact OE1-NH1 2.85Å; E71-C215 HydrophobicContact CB-CB 3.81Å; E71-C215 HydrophobicContact CG-CB 3.91Å
72L98.2Very high97.5Very high0 Ų032.8 Ų32.80%018%0.181CC..Hα-helixtrans-78.8-26.7-177.1-65.5-172.6000113.3F58 L68 L69 L75 F76 I81 F136 I208F58-L72 HydrophobicContact CD2-CD1 4.46Å; L68-L72 HydrophobicContact CD1-CD1 3.87Å; L68-L72 HydrophobicContact CD1-CD2 4.2Å; L68-L72 HydrophobicContact CD1-CG 3.81Å; L68-L72 HydrophobicContact CD2-CD1 4.09Å; L68-L72 HydrophobicContact CG-CD1 3.74Å; L68-L72 HydrophobicContact CG-CG 3.96Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 2.76Å; L69-L72 PolarHBondContact O-N 3.16Å; L72-L75 HydrophobicContact CD2-CD1 4.31Å; L72-L75 PolarHBondContact O-N 3.01Å; L72-L75 VanDerWaalsContact O-N 3.1Å; L72-F76 HydrophobicContact CB-CD2 4.4Å; L72-F76 HydrophobicContact CD2-CD2 4.36Å; L72-F76 HydrophobicContact CD2-CE2 4.14Å; L72-F76 PolarHBondContact O-N 3.31Å; L72-I81 HydrophobicContact CB-CD1 3.57Å; L72-F136 HydrophobicContact CD1-CE1 4.3Å; L72-F136 HydrophobicContact CD1-CE2 3.88Å; L72-F136 HydrophobicContact CD1-CZ 3.7Å; L72-I208 HydrophobicContact CD2-CG1 4.01Å; L72-I208 HydrophobicContact CD2-CG2 4.29Å
73S98.3Very high97.5Very high4 Ų430.8 Ų30.83%0.02816%0.161CC..Hα-helixtrans-48.6-56.1-179.1174.20000113.9L69 L75 F76 Y109 N111L69-S73 WeakPolarHBondContact O-CB 3.47Å; L69-S73 PolarHBondContact O-N 3.26Å; S73-L75 VanDerWaalsContact C-N 3.31Å; S73-L75 PolarHBondContact O-N 3.08Å; S73-F76 CarbonylContact O-C 3.53Å; S73-F76 PolarHBondContact O-N 2.88Å; S73-Y109 WeakPolarHBondContact OG-CA 3.34Å; S73-Y109 WeakPolarHBondContact OG-CD1 3.45Å; S73-N111 WeakPolarHBondContact CB-OD1 3.36Å; S73-N111 PolarHBondContact O-ND2 2.93Å; S73-N111 VanDerWaalsContact O-ND2 3.17Å; S73-N111 PolarHBondContact OG-OD1 2.83Å
74P97.5Very high97.6Very high82 Ų8230.5 Ų30.553%0.53216%0.159SC..Hα-helixtrans-72.9-21.9-179.729.3-37000113.5V70 E71V70-P74 VanDerWaalsContact O-CD 3.26Å; V70-P74 WeakPolarHBondContact O-CD 2.84Å; E71-P74 WeakPolarHBondContact O-CD 3.42Å
75L97.1Very high97.7Very high65 Ų6530.6 Ų30.634%0.3416%0.159SC..Hα-helixtrans-77-28.7178.8-60.5177.5000112E71 L72 S73 V207E71-L75 WeakPolarHBondContact O-CG 3.4Å; L72-L75 HydrophobicContact CD2-CD1 4.31Å; L72-L75 PolarHBondContact O-N 3.01Å; L72-L75 VanDerWaalsContact O-N 3.1Å; S73-L75 VanDerWaalsContact C-N 3.31Å; S73-L75 PolarHBondContact O-N 3.08Å; L75-V207 HydrophobicContact CD1-CG2 4.15Å; L75-V207 HydrophobicContact CD2-CG2 4.47Å
76F97.4Very high97.6Very high36 Ų3630.3 Ų30.316%0.15816%0.159CC..SBendtrans-131.960.6-176.5-61.8-82.6000111.3F58 L72 S73 K78 Q79 N111 V207 I208F58-F76 HydrophobicContact CE2-CB 4.02Å; F58-F76 AromaticContact CE2-CD1 3.91Å; F58-F76 HydrophobicContact CE2-CD1 3.91Å; F58-F76 AromaticContact CE2-CD2 3.78Å; F58-F76 HydrophobicContact CE2-CD2 3.78Å; F58-F76 HydrophobicContact CE2-CE1 4.32Å; F58-F76 HydrophobicContact CE2-CE2 4.21Å; F58-F76 AromaticContact CE2-CG 3.62Å; F58-F76 HydrophobicContact CE2-CG 3.62Å; F58-F76 HydrophobicContact CE2-CZ 4.46Å; F58-F76 HydrophobicContact CZ-CB 4.47Å; F58-F76 AromaticContact CZ-CD1 3.85Å; F58-F76 HydrophobicContact CZ-CD1 3.85Å; F58-F76 HydrophobicContact CZ-CE1 4.2Å; F58-F76 HydrophobicContact CZ-CG 4.04Å; L72-F76 HydrophobicContact CB-CD2 4.4Å; L72-F76 HydrophobicContact CD2-CD2 4.36Å; L72-F76 HydrophobicContact CD2-CE2 4.14Å; L72-F76 PolarHBondContact O-N 3.31Å; S73-F76 CarbonylContact O-C 3.53Å; S73-F76 PolarHBondContact O-N 2.88Å; F76-K78 PolarHBondContact O-N 3.35Å; F76-Q79 HydrophobicContact CB-CB 4.08Å; F76-Q79 HydrophobicContact CB-CG 4.42Å; F76-Q79 PolarHBondContact O-N 2.78Å; F76-Q79 PolarHBondContact O-OE1 3.11Å; F76-N111 PolarHBondContact O-ND2 2.78Å; F76-V207 HydrophobicContact CE2-CG1 4.48Å; F76-V207 HydrophobicContact CZ-CG1 3.97Å; F76-I208 HydrophobicContact CE2-CD1 3.94Å; F76-I208 HydrophobicContact CE2-CG1 3.78Å; F76-I208 HydrophobicContact CZ-CD1 3.87Å; F76-I208 HydrophobicContact CZ-CG1 3.93Å
77P96.3Very high97.5Very high82 Ų8231.5 Ų31.553%0.53216%0.163SC..THydrogen-bonded Turntrans-64.6-17.8-168.526.6-36.1000114
78K94.3Very high97.3Very high179 Ų17934 Ų3478%0.77818%0.177SC*.THydrogen-bonded Turntrans-94.5-11.7179.4-62.9-175179-177.50113.4F76F76-K78 PolarHBondContact O-N 3.35Å
79Q97Very high97.1Very high55 Ų5538.7 Ų38.726%0.25720%0.197SC..SBendtrans-98.7129.9-177-73.968.72700109.6F58 F76 N111F58-Q79 HydrophobicContact CE1-CB 4.26Å; F58-Q79 HydrophobicContact CE1-CG 3.93Å; F58-Q79 HydrophobicContact CE2-CB 4.41Å; F58-Q79 HydrophobicContact CZ-CB 4.16Å; F58-Q79 HydrophobicContact CZ-CG 3.88Å; F76-Q79 HydrophobicContact CB-CB 4.08Å; F76-Q79 HydrophobicContact CB-CG 4.42Å; F76-Q79 PolarHBondContact O-N 2.78Å; F76-Q79 PolarHBondContact O-OE1 3.11Å; Q79-N111 WeakPolarHBondContact O-CB 3.22Å; Q79-N111 PolarHBondContact O-ND2 2.87Å
80L98.5Very high97Very high2 Ų238.7 Ų38.71%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-77.3127.2170.5-63-172.5000110Y40 F43 F44 A54 V56 E57 F58 N111Y40-L80 HydrophobicContact CD1-CD2 3.59Å; Y40-L80 HydrophobicContact CD1-CG 4.46Å; Y40-L80 HydrophobicContact CD2-CD1 3.93Å; Y40-L80 HydrophobicContact CD2-CD2 4.47Å; Y40-L80 HydrophobicContact CE1-CB 4.35Å; Y40-L80 HydrophobicContact CE1-CD2 4.03Å; Y40-L80 HydrophobicContact CE2-CD1 4.35Å; Y40-L80 HydrophobicContact CG-CD1 4.01Å; Y40-L80 HydrophobicContact CG-CD2 3.81Å; Y40-L80 HydrophobicContact CG-CG 4.43Å; F43-L80 HydrophobicContact CB-CD2 4.33Å; F43-L80 HydrophobicContact CD1-CD2 3.66Å; F43-L80 HydrophobicContact CD1-CG 4.3Å; F43-L80 HydrophobicContact CD2-CD2 3.67Å; F43-L80 HydrophobicContact CE1-CD2 3.78Å; F43-L80 HydrophobicContact CE2-CD2 3.8Å; F43-L80 HydrophobicContact CG-CD2 3.61Å; F43-L80 HydrophobicContact CG-CG 4.5Å; F43-L80 HydrophobicContact CZ-CD2 3.86Å; F44-L80 HydrophobicContact CE2-CD1 4.18Å; F44-L80 HydrophobicContact CZ-CD1 4.48Å; A54-L80 HydrophobicContact CB-CD1 3.93Å; V56-L80 HydrophobicContact CG2-CB 4.23Å; E57-L80 PolarHBondContact N-O 3.2Å; F58-L80 PolarHBondContact N-O 3.35Å; L80-N111 WeakPolarHBondContact CA-O 3.25Å; L80-N111 HydrophobicContact CD2-CB 4.23Å
81I98.8Very high96.9Very high1 Ų137.6 Ų37.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-121.9126.8-175.4-44.8179.5000108.6Y40 F58 L69 L72 N111 I112 A113Y40-I81 VanDerWaalsContact OH-C 3.22Å; Y40-I81 PolarHBondContact OH-O 3.45Å; F58-I81 HydrophobicContact CB-CB 4.1Å; F58-I81 HydrophobicContact CB-CG1 3.97Å; F58-I81 HydrophobicContact CB-CG2 3.8Å; F58-I81 HydrophobicContact CD2-CD1 3.95Å; F58-I81 HydrophobicContact CD2-CG1 3.89Å; F58-I81 HydrophobicContact CG-CG1 4.24Å; F58-I81 WeakPolarHBondContact O-CA 3.34Å; L69-I81 HydrophobicContact CD2-CG2 3.64Å; L72-I81 HydrophobicContact CB-CD1 3.57Å; I81-N111 PolarHBondContact N-O 3.28Å; I81-I112 HydrophobicContact CB-CG2 3.98Å; I81-I112 HydrophobicContact CD1-CG2 4.21Å; I81-I112 HydrophobicContact CG1-CG2 4.42Å; I81-I112 WeakPolarHBondContact O-CA 3.45Å; I81-A113 PolarHBondContact O-N 3.27Å
82L98.8Very high96.8Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-117.2127.7-179.2-172.470.6000111.1W36 L39 V56 F58 A59 D60 L84 A113 L115 F127W36-L82 HydrophobicContact CH2-CD2 3.65Å; W36-L82 HydrophobicContact CZ3-CD1 4.2Å; W36-L82 HydrophobicContact CZ3-CD2 3.67Å; W36-L82 HydrophobicContact CZ3-CG 4.49Å; L39-L82 HydrophobicContact CD1-CD1 3.93Å; V56-L82 HydrophobicContact CG1-CB 3.63Å; V56-L82 HydrophobicContact CG2-CB 4.36Å; F58-L82 PolarHBondContact O-N 2.92Å; A59-L82 CarbonylContact C-O 3.53Å; A59-L82 WeakPolarHBondContact CA-O 3.49Å; D60-L82 PolarHBondContact N-O 2.86Å; L82-L84 HydrophobicContact CD2-CD2 4.01Å; L82-L84 HydrophobicContact CD2-CG 4.31Å; L82-A113 HydrophobicContact CD1-CB 4.04Å; L82-L115 HydrophobicContact CD1-CB 4.06Å; L82-L115 HydrophobicContact CD2-CB 4.47Å; L82-F127 HydrophobicContact CD2-CE1 4.31Å; L82-F127 HydrophobicContact CD2-CZ 3.78Å
83G98.8Very high96.8Very high0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-90.4130.4164.300000111.5A113 C114 L115G83-A113 PolarHBondContact N-O 2.88Å; G83-C114 CarbonylContact O-C 3.13Å; G83-C114 WeakPolarHBondContact O-CA 3.4Å; G83-L115 PolarHBondContact O-N 3Å
84L98.4Very high96.8Very high2 Ų238.2 Ų38.21%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-106123.2171.8-67.7166.3000109D60 I61 G62 C63 L82 L115 A119 L123 F127D60-L84 PolarHBondContact O-N 2.94Å; I61-L84 HydrophobicContact CD1-CD1 3.72Å; G62-L84 WeakPolarHBondContact CA-O 3.27Å; G62-L84 PolarHBondContact N-O 2.79Å; C63-L84 PolarHBondContact N-O 3.38Å; C63-L84 VanDerWaalsContact N-O 3.15Å; L82-L84 HydrophobicContact CD2-CD2 4.01Å; L82-L84 HydrophobicContact CD2-CG 4.31Å; L84-L115 WeakPolarHBondContact CA-O 3.47Å; L84-L115 HydrophobicContact CD2-CB 4.19Å; L84-L115 HydrophobicContact CD2-CD2 4.01Å; L84-A119 HydrophobicContact CD1-CB 4.28Å; L84-L123 HydrophobicContact CD1-CD1 3.67Å; L84-F127 HydrophobicContact CD1-CE2 4.17Å
85E97.3Very high96.8Very high5 Ų537.2 Ų37.22%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-134.5134.1179.8171.858.1-113.500110.9G64 R87 V90 L115 R116 S117G64-E85 VanDerWaalsContact CA-OE2 3.27Å; G64-E85 WeakPolarHBondContact CA-OE2 3.38Å; G64-E85 PolarHBondContact N-OE2 3.28Å; E85-R87 HydrophobicContact CG-CB 4.39Å; E85-R87 VanDerWaalsContact OE1-CB 3.27Å; E85-R87 WeakPolarHBondContact OE1-CB 3.49Å; E85-R87 WeakPolarHBondContact OE1-CG 3.3Å; E85-R87 IonicContact OE1-CZ 2.65Å; E85-R87 PolarHBondContact OE1-N 3Å; E85-R87 IonicContact OE1-NE 3.5Å; E85-R87 PolarHBondContact OE1-NE 3.21Å; E85-R87 IonicContact OE1-NH2 2.73Å; E85-R87 IonicContact OE2-CZ 3.99Å; E85-R87 IonicContact OE2-NE 3.53Å; E85-R87 IonicContact OE2-NH2 3.38Å; E85-R87 PolarHBondContact OE2-NH2 3.34Å; E85-V90 HydrophobicContact CG-CB 3.93Å; E85-V90 HydrophobicContact CG-CG1 3.96Å; E85-L115 PolarHBondContact N-O 2.88Å; E85-L115 VanDerWaalsContact N-O 3.13Å; E85-R116 CarbonylContact O-C 3.46Å; E85-R116 WeakPolarHBondContact O-CA 3.32Å; E85-S117 CarbonylContact C-O 3.59Å; E85-S117 PolarHBondContact O-N 3.43Å
86I95.8Very high96.8Very high30 Ų3036 Ų3615%0.15418%0.177CC..SBendtrans-83-29.7-175.5-162.3176.6000112.2P19 F25 V88 S117 N118P19-I86 HydrophobicContact CB-CD1 4.29Å; F25-I86 HydrophobicContact CE1-CG1 4.21Å; F25-I86 HydrophobicContact CZ-CD1 4.33Å; F25-I86 HydrophobicContact CZ-CG1 3.63Å; I86-V88 PolarHBondContact O-N 3.45Å; I86-S117 WeakPolarHBondContact CA-O 3.3Å; I86-N118 HydrophobicContact CD1-CB 4.25Å; I86-N118 HydrophobicContact CG1-CB 4.41Å
87R94.1Very high96.8Very high27 Ų2736.1 Ų36.110%0.10218%0.177CC..  trans-84.1112.7-175.1-66.4169-64.8-177.78.7111.2R14 A15 S17 E85 K89 V90 S91R14-R87 WeakPolarHBondContact O-CD 3.44Å; A15-R87 WeakPolarHBondContact O-CD 3.2Å; A15-R87 PolarHBondContact O-NH1 3.29Å; S17-R87 VanDerWaalsContact OG-CG 3.25Å; S17-R87 WeakPolarHBondContact OG-CG 3.47Å; E85-R87 HydrophobicContact CG-CB 4.39Å; E85-R87 VanDerWaalsContact OE1-CB 3.27Å; E85-R87 WeakPolarHBondContact OE1-CB 3.49Å; E85-R87 WeakPolarHBondContact OE1-CG 3.3Å; E85-R87 IonicContact OE1-CZ 2.65Å; E85-R87 PolarHBondContact OE1-N 3Å; E85-R87 IonicContact OE1-NE 3.5Å; E85-R87 PolarHBondContact OE1-NE 3.21Å; E85-R87 IonicContact OE1-NH2 2.73Å; E85-R87 IonicContact OE2-CZ 3.99Å; E85-R87 IonicContact OE2-NE 3.53Å; E85-R87 IonicContact OE2-NH2 3.38Å; E85-R87 PolarHBondContact OE2-NH2 3.34Å; R87-K89 PolarHBondContact O-N 3.13Å; R87-V90 HydrophobicContact CB-CB 3.94Å; R87-V90 HydrophobicContact CB-CG2 3.77Å; R87-V90 PolarHBondContact O-N 2.98Å; R87-S91 PolarHBondContact O-N 2.63Å; R87-S91 PolarHBondContact O-OG 3.21Å
88V93.3Very high96.9Very high60 Ų6032.6 Ų32.636%0.36415%0.153SC..Hα-helixtrans-49.3-51.3-178.166.20000113.6I86 V90 S91 D92I86-V88 PolarHBondContact O-N 3.45Å; V88-V90 PolarHBondContact O-N 2.65Å; V88-S91 WeakPolarHBondContact CA-OG 3.08Å; V88-S91 PolarHBondContact O-N 3.29Å; V88-S91 PolarHBondContact O-OG 2.97Å; V88-D92 WeakPolarHBondContact O-CB 3.32Å; V88-D92 PolarHBondContact O-N 2.9Å
89K94.8Very high97Very high98 Ų9830.9 Ų30.943%0.42614%0.142SC..Hα-helixtrans-66.3-30.4-178-66.9-166.4172.7-1710112.3Y11 Q13 R87 Y93Y11-K89 WeakPolarHBondContact CB-O 3.42Å; Y11-K89 VanDerWaalsContact CD1-O 3.31Å; Y11-K89 WeakPolarHBondContact CD1-O 3.46Å; Y11-K89 VanDerWaalsContact O-CB 3.28Å; Y11-K89 WeakPolarHBondContact O-CB 3.41Å; Q13-K89 HydrophobicContact CB-CB 4.27Å; R87-K89 PolarHBondContact O-N 3.13Å; K89-Y93 PolarHBondContact O-N 3.34Å; K89-Y93 VanDerWaalsContact O-N 3.14Å
90V95.8Very high97Very high1 Ų128.4 Ų28.41%0.00613%0.131CC..Hα-helixtrans-76.3-43.6-180-175.80000109.9G64 Y65 E85 R87 V88 D92 Y93 V94G64-V90 VanDerWaalsContact C-CG1 3.44Å; G64-V90 VanDerWaalsContact O-CG1 3.23Å; G64-V90 WeakPolarHBondContact O-CG1 3.32Å; Y65-V90 HydrophobicContact CD1-CG1 4.22Å; Y65-V90 HydrophobicContact CE1-CG1 4.29Å; Y65-V90 HydrophobicContact CG-CG1 4.38Å; E85-V90 HydrophobicContact CG-CB 3.93Å; E85-V90 HydrophobicContact CG-CG1 3.96Å; R87-V90 HydrophobicContact CB-CB 3.94Å; R87-V90 HydrophobicContact CB-CG2 3.77Å; R87-V90 PolarHBondContact O-N 2.98Å; V88-V90 PolarHBondContact O-N 2.65Å; V90-D92 VanDerWaalsContact C-N 3.35Å; V90-D92 PolarHBondContact O-N 3.13Å; V90-Y93 WeakPolarHBondContact O-CB 3.34Å; V90-Y93 PolarHBondContact O-N 3.23Å; V90-V94 WeakPolarHBondContact O-CG2 3.09Å; V90-V94 PolarHBondContact O-N 2.97Å; V90-V94 VanDerWaalsContact O-N 3.1Å
91S96.5Very high96.9Very high0 Ų029.6 Ų29.60%014%0.137CC..Hα-helixtrans-61.3-42.6173.454.20000112R87 V88 Y93 V94 Q95 R116R87-S91 PolarHBondContact O-N 2.63Å; R87-S91 PolarHBondContact O-OG 3.21Å; V88-S91 WeakPolarHBondContact CA-OG 3.08Å; V88-S91 PolarHBondContact O-N 3.29Å; V88-S91 PolarHBondContact O-OG 2.97Å; S91-Y93 VanDerWaalsContact C-N 3.3Å; S91-Y93 PolarHBondContact O-N 2.77Å; S91-V94 PolarHBondContact O-N 3.27Å; S91-V94 VanDerWaalsContact O-N 3.08Å; S91-Q95 WeakPolarHBondContact O-CG 3.44Å; S91-Q95 PolarHBondContact O-N 3.25Å; S91-R116 WeakPolarHBondContact OG-CB 3.45Å; S91-R116 WeakPolarHBondContact OG-CG 3.39Å
92D96.6Very high96.8Very high62 Ų6231.6 Ų31.633%0.33214%0.144SC..Hα-helixtrans-59.3-43.7177.5-63.6-11.2000110.8Y11 V88 V90 V94 Q95 D96Y11-D92 HydrophobicContact CD1-CB 4.18Å; Y11-D92 HydrophobicContact CE1-CB 4.13Å; V88-D92 WeakPolarHBondContact O-CB 3.32Å; V88-D92 PolarHBondContact O-N 2.9Å; V90-D92 VanDerWaalsContact C-N 3.35Å; V90-D92 PolarHBondContact O-N 3.13Å; D92-V94 VanDerWaalsContact C-N 3.32Å; D92-V94 PolarHBondContact O-N 3.48Å; D92-Q95 PolarHBondContact O-N 2.92Å; D92-D96 PolarHBondContact O-N 2.87Å
93Y97.4Very high96.7Very high14 Ų1434.5 Ų34.56%0.05517%0.168CC..Hα-helixtrans-58-45174.7175.5-89000112.1P6 K8 Y11 Y65 K89 V90 S91 D96 R97P6-Y93 HydrophobicContact CB-CD2 3.82Å; P6-Y93 HydrophobicContact CB-CE2 3.77Å; P6-Y93 HydrophobicContact CG-CD2 3.95Å; P6-Y93 HydrophobicContact CG-CE2 3.69Å; P6-Y93 VanDerWaalsContact O-CE2 3.29Å; P6-Y93 WeakPolarHBondContact O-CE2 3.43Å; K8-Y93 HydrophobicContact CB-CE2 4.24Å; K8-Y93 HydrophobicContact CG-CD2 4.22Å; K8-Y93 HydrophobicContact CG-CE1 4.12Å; K8-Y93 HydrophobicContact CG-CE2 3.48Å; K8-Y93 VanDerWaalsContact CG-CE2 3.48Å; K8-Y93 VanDerWaalsContact CG-CZ 3.43Å; K8-Y93 WeakPolarHBondContact CG-OH 3.42Å; Y11-Y93 AromaticContact CD2-CD2 3.68Å; Y11-Y93 HydrophobicContact CD2-CD2 3.68Å; Y11-Y93 HydrophobicContact CD2-CG 4.5Å; Y11-Y93 HydrophobicContact CE2-CD2 4.13Å; Y11-Y93 AromaticContact CG-CD2 3.89Å; Y11-Y93 HydrophobicContact CG-CD2 3.89Å; Y11-Y93 HydrophobicContact CG-CG 4.28Å; Y65-Y93 AromaticContact CD1-CD1 3.46Å; Y65-Y93 HydrophobicContact CD1-CD1 3.46Å; Y65-Y93 VanDerWaalsContact CD1-CD1 3.46Å; Y65-Y93 AromaticContact CD1-CE1 3.73Å; Y65-Y93 HydrophobicContact CD1-CE1 3.73Å; Y65-Y93 AromaticContact CD1-CG 3.93Å; Y65-Y93 HydrophobicContact CD1-CG 3.93Å; Y65-Y93 HydrophobicContact CE1-CD1 4.28Å; Y65-Y93 HydrophobicContact CE1-CG 4.31Å; Y65-Y93 HydrophobicContact CG-CD1 4.38Å; Y65-Y93 HydrophobicContact CG-CE1 4.42Å; K89-Y93 PolarHBondContact O-N 3.34Å; K89-Y93 VanDerWaalsContact O-N 3.14Å; V90-Y93 WeakPolarHBondContact O-CB 3.34Å; V90-Y93 PolarHBondContact O-N 3.23Å; S91-Y93 VanDerWaalsContact C-N 3.3Å; S91-Y93 PolarHBondContact O-N 2.77Å; Y93-D96 PolarHBondContact O-N 3.24Å; Y93-R97 HydrophobicContact CE1-CB 4.3Å; Y93-R97 WeakPolarHBondContact O-CB 3.39Å; Y93-R97 PolarHBondContact O-N 2.89Å
94V97.9Very high96.5Very high1 Ų138.5 Ų38.51%0.00620%0.201CC..Hα-helixtrans-68.2-40.4-178.1-179.10000110.7G64 Y65 L69 V90 S91 D92 R97 I98 C114G64-V94 WeakPolarHBondContact O-CG2 3.19Å; Y65-V94 VanDerWaalsContact C-CG2 3.4Å; L69-V94 HydrophobicContact CD1-CG1 4.07Å; V90-V94 WeakPolarHBondContact O-CG2 3.09Å; V90-V94 PolarHBondContact O-N 2.97Å; V90-V94 VanDerWaalsContact O-N 3.1Å; S91-V94 PolarHBondContact O-N 3.27Å; S91-V94 VanDerWaalsContact O-N 3.08Å; D92-V94 VanDerWaalsContact C-N 3.32Å; D92-V94 PolarHBondContact O-N 3.48Å; V94-R97 WeakPolarHBondContact O-CB 3.5Å; V94-R97 PolarHBondContact O-N 3.08Å; V94-I98 HydrophobicContact CG1-CD1 3.82Å; V94-I98 HydrophobicContact CG1-CG1 4.3Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.47Å; V94-I98 PolarHBondContact O-N 3.26Å; V94-C114 HydrophobicContact CB-CB 3.88Å; V94-C114 HydrophobicContact CG1-CB 3.44Å; V94-C114 VanDerWaalsContact CG1-CB 3.44Å
95Q98Very high96.2Very high62 Ų6242.9 Ų42.929%0.2922%0.222SC..Hα-helixtrans-60.5-47.7174.9-70.1173.5-2.400111.3S91 D92 R97 I98 R99 C114S91-Q95 WeakPolarHBondContact O-CG 3.44Å; S91-Q95 PolarHBondContact O-N 3.25Å; D92-Q95 PolarHBondContact O-N 2.92Å; Q95-R97 VanDerWaalsContact C-N 3.32Å; Q95-R97 PolarHBondContact O-N 3.18Å; Q95-I98 PolarHBondContact O-N 3.42Å; Q95-R99 WeakPolarHBondContact O-CG 3.38Å; Q95-R99 PolarHBondContact O-N 3.05Å; Q95-C114 HydrophobicContact CG-CB 4.3Å; Q95-C114 PolarHBondContact NE2-O 3.27Å
96D97.6Very high95.8Very high40 Ų4049 Ų4921%0.21426%0.26CS..Hα-helixtrans-60.4-42.1174.3-76.6-25.9000111.8P6 Y11 D92 Y93 I98 R99 S100P6-D96 HydrophobicContact CB-CB 3.97Å; P6-D96 HydrophobicContact CG-CB 3.91Å; Y11-D96 WeakPolarHBondContact CE1-OD2 3.33Å; Y11-D96 PolarHBondContact OH-OD2 3.3Å; D92-D96 PolarHBondContact O-N 2.87Å; Y93-D96 PolarHBondContact O-N 3.24Å; D96-I98 PolarHBondContact O-N 2.93Å; D96-R99 PolarHBondContact O-N 2.9Å; D96-R99 IonicContact OD1-CZ 3.37Å; D96-R99 IonicContact OD1-NE 4Å; D96-R99 IonicContact OD1-NH2 2.69Å; D96-R99 PolarHBondContact OD1-NH2 3.45Å; D96-S100 PolarHBondContact O-N 2.97Å; D96-S100 PolarHBondContact O-OG 3.43Å; D96-S100 VanDerWaalsContact O-OG 3.05Å
97R97.6Very high95.5Very high38 Ų3849.9 Ų49.914%0.14328%0.276CS..Hα-helixtrans-62.6-45.9179.9-177-179179.2-166.7-3.3111.1M5 P6 Y65 Y93 V94 Q95 S100 L101M5-R97 HydrophobicContact CE-CG 3.8Å; P6-R97 HydrophobicContact CG-CB 3.82Å; Y65-R97 PolarHBondContact O-NH1 2.75Å; Y93-R97 HydrophobicContact CE1-CB 4.3Å; Y93-R97 WeakPolarHBondContact O-CB 3.39Å; Y93-R97 PolarHBondContact O-N 2.89Å; V94-R97 WeakPolarHBondContact O-CB 3.5Å; V94-R97 PolarHBondContact O-N 3.08Å; Q95-R97 VanDerWaalsContact C-N 3.32Å; Q95-R97 PolarHBondContact O-N 3.18Å; R97-S100 PolarHBondContact O-N 2.86Å; R97-L101 HydrophobicContact CG-CD1 4.14Å; R97-L101 WeakPolarHBondContact O-CB 3.47Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.3Å; R97-L101 PolarHBondContact O-N 3.38Å
98I97.9Very high95.5Very high7 Ų750.2 Ų50.24%0.03628%0.282CS..Hα-helixtrans-64.1-42.9178-68.9171.6000110.1L69 V94 Q95 D96 S100 L101 R102 I112 C114L69-I98 HydrophobicContact CD1-CD1 4.39Å; V94-I98 HydrophobicContact CG1-CD1 3.82Å; V94-I98 HydrophobicContact CG1-CG1 4.3Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.47Å; V94-I98 PolarHBondContact O-N 3.26Å; Q95-I98 PolarHBondContact O-N 3.42Å; D96-I98 PolarHBondContact O-N 2.93Å; I98-S100 PolarHBondContact O-N 3.31Å; I98-L101 PolarHBondContact O-N 3.44Å; I98-R102 HydrophobicContact CG2-CG 4.37Å; I98-R102 WeakPolarHBondContact O-CG 3.23Å; I98-R102 PolarHBondContact O-N 3.48Å; I98-I112 HydrophobicContact CD1-CB 4.47Å; I98-I112 HydrophobicContact CD1-CD1 4.17Å; I98-I112 HydrophobicContact CD1-CG1 4.24Å; I98-I112 HydrophobicContact CG1-CD1 3.87Å; I98-I112 HydrophobicContact CG1-CG1 4.26Å; I98-I112 HydrophobicContact CG2-CG1 4.21Å; I98-C114 HydrophobicContact CD1-CB 4.37Å
99R96.9Very high95.8Very high143 Ų14349.2 Ų49.254%0.5427%0.272SS..Hα-helixtrans-59-46.6174.7-75.6-167.4-72.8-131.23.4112.3Q95 D96 L101 R102 A103Q95-R99 WeakPolarHBondContact O-CG 3.38Å; Q95-R99 PolarHBondContact O-N 3.05Å; D96-R99 PolarHBondContact O-N 2.9Å; D96-R99 IonicContact OD1-CZ 3.37Å; D96-R99 IonicContact OD1-NE 4Å; D96-R99 IonicContact OD1-NH2 2.69Å; D96-R99 PolarHBondContact OD1-NH2 3.45Å; R99-L101 VanDerWaalsContact C-N 3.33Å; R99-L101 PolarHBondContact O-N 2.77Å; R99-R102 PolarHBondContact O-N 3.13Å; R99-A103 WeakPolarHBondContact O-CB 3.44Å; R99-A103 PolarHBondContact O-N 3.45Å
100S96.5Very high95.9Very high4 Ų445.4 Ų45.43%0.02826%0.256CS..Hα-helixtrans-61.8-40.4176.3-57.30000111.9V3 S4 M5 D96 R97 I98 A103 A104V3-S100 WeakPolarHBondContact CG1-OG 3.34Å; S4-S100 PolarHBondContact O-OG 2.92Å; M5-S100 VanDerWaalsContact SD-CB 3.55Å; D96-S100 PolarHBondContact O-N 2.97Å; D96-S100 PolarHBondContact O-OG 3.43Å; D96-S100 VanDerWaalsContact O-OG 3.05Å; R97-S100 PolarHBondContact O-N 2.86Å; I98-S100 PolarHBondContact O-N 3.31Å; S100-A103 PolarHBondContact O-N 3.4Å; S100-A104 VanDerWaalsContact O-CB 3.24Å; S100-A104 WeakPolarHBondContact O-CB 3.27Å; S100-A104 PolarHBondContact O-N 2.73Å
101L96.8Very high96Very high26 Ų2645.6 Ų45.614%0.13626%0.257CS..Hα-helixtrans-65.1-48.3178.3-74.8169.3000112.2M5 V70 R97 I98 R99 A103 A104 E105 Y109M5-L101 HydrophobicContact CE-CD2 4.44Å; M5-L101 HydrophobicContact CE-CG 4.49Å; M5-L101 HydrophobicContact SD-CD2 4.4Å; M5-L101 HydrophobicContact SD-CG 4.38Å; V70-L101 HydrophobicContact CG1-CD1 4.09Å; V70-L101 HydrophobicContact CG2-CD1 3.58Å; R97-L101 HydrophobicContact CG-CD1 4.14Å; R97-L101 WeakPolarHBondContact O-CB 3.47Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.3Å; R97-L101 PolarHBondContact O-N 3.38Å; I98-L101 PolarHBondContact O-N 3.44Å; R99-L101 VanDerWaalsContact C-N 3.33Å; R99-L101 PolarHBondContact O-N 2.77Å; L101-A103 VanDerWaalsContact C-N 3.26Å; L101-A103 PolarHBondContact O-N 3.05Å; L101-A104 PolarHBondContact O-N 3.48Å; L101-E105 PolarHBondContact O-N 2.92Å; L101-Y109 HydrophobicContact CB-CD2 3.69Å; L101-Y109 HydrophobicContact CB-CE2 4.19Å; L101-Y109 HydrophobicContact CB-CG 3.96Å; L101-Y109 HydrophobicContact CD1-CD1 4.37Å; L101-Y109 HydrophobicContact CD1-CG 4.44Å; L101-Y109 HydrophobicContact CD2-CE2 4.17Å
102R96.6Very high96.1Very high43 Ų4345.6 Ų45.616%0.16226%0.257CS..Hα-helixtrans-59-37.2175.5-70.6176-177.8-177.9-2112.2L39 I98 R99 E105 Y109 Q110 I112L39-R102 PolarHBondContact O-NH1 3.23Å; L39-R102 PolarHBondContact O-NH2 3.08Å; I98-R102 HydrophobicContact CG2-CG 4.37Å; I98-R102 WeakPolarHBondContact O-CG 3.23Å; I98-R102 PolarHBondContact O-N 3.48Å; R99-R102 PolarHBondContact O-N 3.13Å; R102-E105 CarbonylContact O-C 3.6Å; R102-Y109 PolarHBondContact NE-O 3.39Å; R102-Q110 PolarHBondContact NH2-O 2.69Å; R102-I112 PolarHBondContact NH2-O 2.91Å
103A95.4Very high96.2Very high61 Ų6142.9 Ų42.950%0.50424%0.243SC..Hα-helixtrans-75.4-32.1177.900000113.3V3 R99 S100 L101V3-A103 HydrophobicContact CB-CB 4.15Å; V3-A103 HydrophobicContact CG2-CB 3.96Å; R99-A103 WeakPolarHBondContact O-CB 3.44Å; R99-A103 PolarHBondContact O-N 3.45Å; S100-A103 PolarHBondContact O-N 3.4Å; L101-A103 VanDerWaalsContact C-N 3.26Å; L101-A103 PolarHBondContact O-N 3.05Å
104A94.6Very high96.3Very high84 Ų8442.3 Ų42.369%0.69424%0.241SC*.Hα-helixtrans-77.7-32.4179.300000112.6S100 L101S100-A104 VanDerWaalsContact O-CB 3.24Å; S100-A104 WeakPolarHBondContact O-CB 3.27Å; S100-A104 PolarHBondContact O-N 2.73Å; L101-A104 PolarHBondContact O-N 3.48Å
105E92Very high96.2Very high94 Ų9443.3 Ų43.344%0.43925%0.246SC..SBendtrans-132.291.9-177.6-164.9-175.6154.700109.7L101 R102 G107 S108 Y109L101-E105 PolarHBondContact O-N 2.92Å; R102-E105 CarbonylContact O-C 3.6Å; E105-G107 PolarHBondContact O-N 2.57Å; E105-S108 VanDerWaalsContact CD-CB 3.44Å; E105-S108 WeakPolarHBondContact CG-OG 3.33Å; E105-S108 PolarHBondContact O-N 3.08Å; E105-S108 WeakPolarHBondContact OE1-CB 3.32Å; E105-S108 PolarHBondContact OE1-OG 3.02Å; E105-Y109 HydrophobicContact CB-CE2 4.41Å; E105-Y109 WeakPolarHBondContact OE2-CE2 3.38Å
106T89.9Confident96.2Very high135 Ų13543.7 Ų43.783%0.82825%0.245SC*.THydrogen-bonded Turntrans-58129.8-176.3-54.10000111.3S108T106-S108 VanDerWaalsContact C-N 3.28Å; T106-S108 PolarHBondContact O-N 3.24Å
107G89.6Confident96.1Very high47 Ų4741.9 Ų41.949%0.48524%0.236SC..THydrogen-bonded Turntrans84.4-14.2-176.600000115.1E105E105-G107 PolarHBondContact O-N 2.57Å
108S94.8Very high96Very high34 Ų3440.3 Ų40.324%0.23823%0.23CC..SBendtrans-92.1154.4176.8-67.20000111.8E105 T106 Q110E105-S108 VanDerWaalsContact CD-CB 3.44Å; E105-S108 WeakPolarHBondContact CG-OG 3.33Å; E105-S108 PolarHBondContact O-N 3.08Å; E105-S108 WeakPolarHBondContact OE1-CB 3.32Å; E105-S108 PolarHBondContact OE1-OG 3.02Å; T106-S108 VanDerWaalsContact C-N 3.28Å; T106-S108 PolarHBondContact O-N 3.24Å; S108-Q110 PolarHBondContact O-N 2.78Å; S108-Q110 VanDerWaalsContact O-N 3.14Å
109Y97.8Very high95.8Very high39 Ų3940.3 Ų40.315%0.15323%0.231CC..SBendtrans62.617177.3-46.9-78.2000115.9V70 S73 L101 R102 E105 N111 I112V70-Y109 HydrophobicContact CG1-CE1 3.87Å; S73-Y109 WeakPolarHBondContact OG-CA 3.34Å; S73-Y109 WeakPolarHBondContact OG-CD1 3.45Å; L101-Y109 HydrophobicContact CB-CD2 3.69Å; L101-Y109 HydrophobicContact CB-CE2 4.19Å; L101-Y109 HydrophobicContact CB-CG 3.96Å; L101-Y109 HydrophobicContact CD1-CD1 4.37Å; L101-Y109 HydrophobicContact CD1-CG 4.44Å; L101-Y109 HydrophobicContact CD2-CE2 4.17Å; R102-Y109 PolarHBondContact NE-O 3.39Å; E105-Y109 HydrophobicContact CB-CE2 4.41Å; E105-Y109 WeakPolarHBondContact OE2-CE2 3.38Å; Y109-N111 PolarHBondContact O-N 2.94Å; Y109-I112 HydrophobicContact CD1-CD1 3.92Å; Y109-I112 HydrophobicContact CG-CD1 4.41Å; Y109-I112 VanDerWaalsContact O-CG1 3.3Å; Y109-I112 WeakPolarHBondContact O-CG1 3.28Å
110Q97.7Very high95.6Very high18 Ų1834.6 Ų34.68%0.08421%0.211CC..THydrogen-bonded Turntrans-74.1-19.7178.7-60.3-65.7-10.400112.6Y40 E42 F43 R102 S108Y40-Q110 WeakPolarHBondContact CD1-O 3.36Å; E42-Q110 HydrophobicContact CB-CB 4.45Å; E42-Q110 VanDerWaalsContact CD-CG 3.47Å; E42-Q110 HydrophobicContact CG-CG 4.36Å; E42-Q110 PolarHBondContact OE1-NE2 2.92Å; E42-Q110 PolarHBondContact OE1-OE1 3.23Å; E42-Q110 VanDerWaalsContact OE2-CG 3.29Å; E42-Q110 WeakPolarHBondContact OE2-CG 3.33Å; F43-Q110 HydrophobicContact CE2-CB 4.04Å; R102-Q110 PolarHBondContact NH2-O 2.69Å; S108-Q110 PolarHBondContact O-N 2.78Å; S108-Q110 VanDerWaalsContact O-N 3.14Å
111N98.3Very high95.5Very high5 Ų537.7 Ų37.73%0.02722%0.224CC..THydrogen-bonded Turntrans-93.82.4-178.171.4-37.1000114.2Y40 F43 S73 F76 Q79 L80 I81 Y109Y40-N111 WeakPolarHBondContact CE1-O 3.29Å; F43-N111 HydrophobicContact CE2-CB 3.89Å; F43-N111 HydrophobicContact CZ-CB 3.68Å; S73-N111 WeakPolarHBondContact CB-OD1 3.36Å; S73-N111 PolarHBondContact O-ND2 2.93Å; S73-N111 VanDerWaalsContact O-ND2 3.17Å; S73-N111 PolarHBondContact OG-OD1 2.83Å; F76-N111 PolarHBondContact O-ND2 2.78Å; Q79-N111 WeakPolarHBondContact O-CB 3.22Å; Q79-N111 PolarHBondContact O-ND2 2.87Å; L80-N111 WeakPolarHBondContact CA-O 3.25Å; L80-N111 HydrophobicContact CD2-CB 4.23Å; I81-N111 PolarHBondContact N-O 3.28Å; Y109-N111 PolarHBondContact O-N 2.94Å
112I98.7Very high95.4Very high0 Ų038.1 Ų38.10%022%0.224CC..EExtended strand (participates in β ladder)trans-115.3141.2177.154.9168000112.1L69 V70 I81 I98 R102 Y109L69-I112 HydrophobicContact CB-CB 4.33Å; L69-I112 HydrophobicContact CB-CD1 4.29Å; L69-I112 HydrophobicContact CB-CG2 4.15Å; L69-I112 WeakPolarHBondContact O-CG2 3.24Å; V70-I112 HydrophobicContact CG2-CD1 4.21Å; I81-I112 HydrophobicContact CB-CG2 3.98Å; I81-I112 HydrophobicContact CD1-CG2 4.21Å; I81-I112 HydrophobicContact CG1-CG2 4.42Å; I81-I112 WeakPolarHBondContact O-CA 3.45Å; I98-I112 HydrophobicContact CD1-CB 4.47Å; I98-I112 HydrophobicContact CD1-CD1 4.17Å; I98-I112 HydrophobicContact CD1-CG1 4.24Å; I98-I112 HydrophobicContact CG1-CD1 3.87Å; I98-I112 HydrophobicContact CG1-CG1 4.26Å; I98-I112 HydrophobicContact CG2-CG1 4.21Å; R102-I112 PolarHBondContact NH2-O 2.91Å; Y109-I112 HydrophobicContact CD1-CD1 3.92Å; Y109-I112 HydrophobicContact CG-CD1 4.41Å; Y109-I112 VanDerWaalsContact O-CG1 3.3Å; Y109-I112 WeakPolarHBondContact O-CG1 3.28Å
113A98.6Very high95.4Very high5 Ų536.1 Ų36.14%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-144.7167.6171.900000111.1L39 Y40 I81 L82 G83L39-A113 HydrophobicContact CB-CB 3.76Å; L39-A113 HydrophobicContact CD1-CB 4.21Å; L39-A113 HydrophobicContact CD2-CB 4.3Å; L39-A113 HydrophobicContact CG-CB 4.32Å; Y40-A113 HydrophobicContact CD1-CB 4.37Å; Y40-A113 HydrophobicContact CE1-CB 3.64Å; Y40-A113 HydrophobicContact CE2-CB 4.21Å; I81-A113 PolarHBondContact O-N 3.27Å; L82-A113 HydrophobicContact CD1-CB 4.04Å; G83-A113 PolarHBondContact N-O 2.88Å
114C98.4Very high95.4Very high3 Ų335 Ų352%0.0220%0.204CC..EExtended strand (participates in β ladder)trans-131.6131.3173.7179.20000110.5G83 V94 Q95 I98G83-C114 CarbonylContact O-C 3.13Å; G83-C114 WeakPolarHBondContact O-CA 3.4Å; V94-C114 HydrophobicContact CB-CB 3.88Å; V94-C114 HydrophobicContact CG1-CB 3.44Å; V94-C114 VanDerWaalsContact CG1-CB 3.44Å; Q95-C114 HydrophobicContact CG-CB 4.3Å; Q95-C114 PolarHBondContact NE2-O 3.27Å; I98-C114 HydrophobicContact CD1-CB 4.37Å
115L97.4Very high95.6Very high21 Ų2132.8 Ų32.811%0.1118%0.18CC..EExtended strand (participates in β ladder)trans-119132.5179-170.3154.5000109.4M34 L39 L82 G83 L84 E85 S117 F126M34-L115 HydrophobicContact CE-CD1 3.78Å; L39-L115 HydrophobicContact CD1-CD1 4.26Å; L82-L115 HydrophobicContact CD1-CB 4.06Å; L82-L115 HydrophobicContact CD2-CB 4.47Å; G83-L115 PolarHBondContact O-N 3Å; L84-L115 WeakPolarHBondContact CA-O 3.47Å; L84-L115 HydrophobicContact CD2-CB 4.19Å; L84-L115 HydrophobicContact CD2-CD2 4.01Å; E85-L115 PolarHBondContact N-O 2.88Å; E85-L115 VanDerWaalsContact N-O 3.13Å; L115-S117 PolarHBondContact O-N 2.66Å; L115-F126 HydrophobicContact CD1-CD1 4.18Å; L115-F126 HydrophobicContact CD1-CE1 3.69Å; L115-F126 HydrophobicContact CD1-CZ 4.35Å; L115-F126 HydrophobicContact CD2-CE1 3.92Å; L115-F126 HydrophobicContact CD2-CE2 4.41Å; L115-F126 HydrophobicContact CD2-CZ 3.72Å
116R96.6Very high95.9Very high71 Ų7128.4 Ų28.427%0.26816%0.16SC..EExtended strand (participates in β ladder)trans-79.4104.6175.5-174-124.5175.4179.1-9110T24 F25 E85 S91T24-R116 PolarHBondContact O-NH1 2.78Å; T24-R116 PolarHBondContact O-NH2 2.87Å; F25-R116 HydrophobicContact CE1-CG 4.34Å; E85-R116 CarbonylContact O-C 3.46Å; E85-R116 WeakPolarHBondContact O-CA 3.32Å; S91-R116 WeakPolarHBondContact OG-CB 3.45Å; S91-R116 WeakPolarHBondContact OG-CG 3.39Å
117S95.8Very high96.2Very high2 Ų222 Ų221%0.01412%0.12CC..  trans-154.7162.7-175.9169.80000112.1E85 I86 L115 F126E85-S117 CarbonylContact C-O 3.59Å; E85-S117 PolarHBondContact O-N 3.43Å; I86-S117 WeakPolarHBondContact CA-O 3.3Å; L115-S117 PolarHBondContact O-N 2.66Å; S117-F126 WeakPolarHBondContact OG-CE2 3.28Å
118N95.4Very high96.6Very high5 Ų521.3 Ų21.33%0.02711%0.108CC..  trans-99.6101.1170.1-173-8.5000110.1P19 F25 I86 M120 K121 Y122P19-N118 PolarHBondContact O-ND2 3.14Å; F25-N118 HydrophobicContact CD2-CB 4.38Å; F25-N118 HydrophobicContact CE2-CB 3.73Å; F25-N118 HydrophobicContact CZ-CB 3.94Å; I86-N118 HydrophobicContact CD1-CB 4.25Å; I86-N118 HydrophobicContact CG1-CB 4.41Å; N118-M120 PolarHBondContact O-N 3.49Å; N118-M120 VanDerWaalsContact O-N 3.13Å; N118-M120 WeakPolarHBondContact OD1-CB 3.38Å; N118-M120 PolarHBondContact OD1-N 2.86Å; N118-K121 HydrophobicContact CB-CB 4.35Å; N118-K121 WeakPolarHBondContact ND2-CD 3.41Å; N118-K121 PolarHBondContact O-N 2.99Å; N118-Y122 HydrophobicContact CB-CD2 4.23Å; N118-Y122 HydrophobicContact CB-CE2 4.34Å; N118-Y122 PolarHBondContact O-N 3.39Å; N118-Y122 VanDerWaalsContact O-N 3.08Å
119A93.9Very high96.8Very high7 Ų726.7 Ų26.76%0.05813%0.128CC..Hα-helixtrans-61.2-18.8177.300000113.7I61 L84 K121 L123I61-A119 HydrophobicContact CD1-CB 4.35Å; I61-A119 HydrophobicContact CG2-CB 3.49Å; I61-A119 VanDerWaalsContact CG2-CB 3.49Å; L84-A119 HydrophobicContact CD1-CB 4.28Å; A119-K121 VanDerWaalsContact C-N 3.28Å; A119-L123 HydrophobicContact CB-CD1 4.49Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å
120M93.7Very high96.8Very high23 Ų2325.8 Ų25.811%0.11313%0.13CC..Hα-helixtrans-80.2-7.6175.1-60.9176.367.800114P19 M20 N118 I153 L158P19-M120 HydrophobicContact CB-CE 4.41Å; P19-M120 HydrophobicContact CB-SD 3.38Å; P19-M120 WeakPolarHBondContact CB-SD 3.33Å; P19-M120 HydrophobicContact CG-CE 4.1Å; P19-M120 HydrophobicContact CG-SD 3.47Å; P19-M120 WeakPolarHBondContact CG-SD 3.32Å; M20-M120 HydrophobicContact CE-CE 4.01Å; N118-M120 PolarHBondContact O-N 3.49Å; N118-M120 VanDerWaalsContact O-N 3.13Å; N118-M120 WeakPolarHBondContact OD1-CB 3.38Å; N118-M120 PolarHBondContact OD1-N 2.86Å; M120-I153 HydrophobicContact CG-CD1 3.31Å; M120-I153 HydrophobicContact SD-CD1 4.1Å; M120-L158 HydrophobicContact CB-CD1 4.34Å; M120-L158 HydrophobicContact CB-CD2 4.09Å; M120-L158 HydrophobicContact CE-CD1 3.83Å; M120-L158 HydrophobicContact CG-CD1 3.91Å; M120-L158 HydrophobicContact CG-CD2 4.42Å
121K93.5Very high96.8Very high68 Ų6825.4 Ų25.430%0.29613%0.128SC..Hα-helixtrans-121.4-37.7-175.4-70.9-174.2177-177.80112.9P19 N118 A119P19-K121 VanDerWaalsContact O-CE 3.32Å; P19-K121 WeakPolarHBondContact O-CE 3.37Å; N118-K121 HydrophobicContact CB-CB 4.35Å; N118-K121 WeakPolarHBondContact ND2-CD 3.41Å; N118-K121 PolarHBondContact O-N 2.99Å; A119-K121 VanDerWaalsContact C-N 3.28Å
122Y95.2Very high96.8Very high36 Ų3625.1 Ų25.114%0.14113%0.127CC..Hα-helixtrans-124.48.7-163.1-52.6-56.6000113.7F25 Y27 N118 N125 F126F25-Y122 HydrophobicContact CB-CE2 4.08Å; F25-Y122 AromaticContact CD2-CE2 3.69Å; F25-Y122 HydrophobicContact CD2-CE2 3.69Å; F25-Y122 HydrophobicContact CE2-CE2 4.45Å; F25-Y122 HydrophobicContact CG-CE2 4.17Å; Y27-Y122 HydrophobicContact CD1-CD1 4.07Å; Y27-Y122 HydrophobicContact CD1-CD2 4.16Å; Y27-Y122 AromaticContact CD1-CE1 3.86Å; Y27-Y122 HydrophobicContact CD1-CE1 3.86Å; Y27-Y122 AromaticContact CD1-CE2 3.93Å; Y27-Y122 HydrophobicContact CD1-CE2 3.93Å; Y27-Y122 HydrophobicContact CD1-CG 4.21Å; Y27-Y122 AromaticContact CD1-CZ 3.77Å; Y27-Y122 AromaticContact CD2-CD1 3.8Å; Y27-Y122 HydrophobicContact CD2-CD1 3.8Å; Y27-Y122 HydrophobicContact CD2-CE1 4.04Å; Y27-Y122 HydrophobicContact CD2-CG 4.36Å; Y27-Y122 HydrophobicContact CE1-CD1 4.25Å; Y27-Y122 AromaticContact CE1-CE1 3.62Å; Y27-Y122 HydrophobicContact CE1-CE1 3.62Å; Y27-Y122 HydrophobicContact CE1-CE2 4.14Å; Y27-Y122 AromaticContact CE1-CZ 3.54Å; Y27-Y122 AromaticContact CE2-CD1 3.99Å; Y27-Y122 HydrophobicContact CE2-CD1 3.99Å; Y27-Y122 AromaticContact CE2-CE1 3.8Å; Y27-Y122 HydrophobicContact CE2-CE1 3.8Å; Y27-Y122 AromaticContact CG-CD1 3.84Å; Y27-Y122 HydrophobicContact CG-CD1 3.84Å; Y27-Y122 HydrophobicContact CG-CD2 4.34Å; Y27-Y122 HydrophobicContact CG-CE1 4.07Å; Y27-Y122 AromaticContact CG-CG 3.99Å; Y27-Y122 HydrophobicContact CG-CG 3.99Å; Y27-Y122 AromaticContact CZ-CE1 3.59Å; Y27-Y122 AromaticContact CZ-CZ 3.97Å; N118-Y122 HydrophobicContact CB-CD2 4.23Å; N118-Y122 HydrophobicContact CB-CE2 4.34Å; N118-Y122 PolarHBondContact O-N 3.39Å; N118-Y122 VanDerWaalsContact O-N 3.08Å; Y122-N125 WeakPolarHBondContact CA-OD1 3.41Å; Y122-N125 VanDerWaalsContact O-CB 3.29Å; Y122-N125 WeakPolarHBondContact O-CB 3.27Å; Y122-N125 PolarHBondContact O-N 3.39Å; Y122-F126 WeakPolarHBondContact O-CD2 3.38Å; Y122-F126 PolarHBondContact O-N 3Å
123L95.7Very high96.8Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-56.5-44.9-177.1-167.278.3000112.6I61 L84 A119 N125 F126 F127 M135 Y162 T165I61-L123 HydrophobicContact CD1-CD1 3.97Å; L84-L123 HydrophobicContact CD1-CD1 3.67Å; A119-L123 HydrophobicContact CB-CD1 4.49Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; L123-N125 PolarHBondContact O-N 3.39Å; L123-F126 PolarHBondContact O-N 3.32Å; L123-F127 HydrophobicContact CD1-CD2 3.72Å; L123-F127 HydrophobicContact CD1-CE2 3.57Å; L123-F127 HydrophobicContact CG-CD2 4.01Å; L123-F127 HydrophobicContact CG-CE2 4.37Å; L123-F127 PolarHBondContact O-N 3.26Å; L123-M135 HydrophobicContact CD2-CE 3.71Å; L123-Y162 HydrophobicContact CD2-CD1 3.43Å; L123-Y162 VanDerWaalsContact CD2-CD1 3.43Å; L123-Y162 HydrophobicContact CD2-CE1 3.72Å; L123-T165 HydrophobicContact CD2-CG2 4.45Å; L123-T165 HydrophobicContact CG-CG2 4.38Å
124P96.8Very high96.9Very high37 Ų3727.5 Ų27.524%0.2414%0.138CC..Hα-helixtrans-70.1-15.5176.2-18.834.5000114.3P31 E161 Y164P31-P124 VanDerWaalsContact CG-O 3.32Å; P31-P124 WeakPolarHBondContact CG-O 3.32Å; P124-E161 HydrophobicContact CG-CB 4.04Å; P124-E161 HydrophobicContact CG-CG 3.91Å; P124-Y164 HydrophobicContact CB-CD1 4.45Å
125N97.5Very high96.9Very high38 Ų3827.3 Ų27.320%0.20314%0.137CC..Hα-helixtrans-73.1-32.7172.8-63.186.1000111.3P28 V29 C30 P31 Y122 L123P28-N125 HydrophobicContact CG-CB 4.38Å; P28-N125 VanDerWaalsContact CG-O 3.24Å; P28-N125 WeakPolarHBondContact CG-O 3.46Å; P28-N125 WeakPolarHBondContact O-CB 3.2Å; P28-N125 PolarHBondContact O-ND2 3.07Å; V29-N125 PolarHBondContact O-ND2 3.4Å; C30-N125 CarbonylContact C-O 3.54Å; C30-N125 VanDerWaalsContact C-O 3.3Å; P31-N125 WeakPolarHBondContact CA-O 3.5Å; P31-N125 VanDerWaalsContact N-O 3.09Å; Y122-N125 WeakPolarHBondContact CA-OD1 3.41Å; Y122-N125 VanDerWaalsContact O-CB 3.29Å; Y122-N125 WeakPolarHBondContact O-CB 3.27Å; Y122-N125 PolarHBondContact O-N 3.39Å; L123-N125 PolarHBondContact O-N 3.39Å
126F97.6Very high96.9Very high2 Ų226.3 Ų26.31%0.00913%0.132CC..Hα-helixtrans-87.1-30.4-178.7-67.2-74.4000113.4P28 M34 W36 L115 S117 Y122 L123P28-F126 HydrophobicContact CG-CD1 3.95Å; P28-F126 HydrophobicContact CG-CE1 4.1Å; M34-F126 HydrophobicContact CG-CD1 4.42Å; M34-F126 HydrophobicContact SD-CD1 3.9Å; M34-F126 HydrophobicContact SD-CE1 4.04Å; W36-F126 HydrophobicContact CH2-CB 4.5Å; W36-F126 WeakPolarHBondContact CZ2-O 3.44Å; L115-F126 HydrophobicContact CD1-CD1 4.18Å; L115-F126 HydrophobicContact CD1-CE1 3.69Å; L115-F126 HydrophobicContact CD1-CZ 4.35Å; L115-F126 HydrophobicContact CD2-CE1 3.92Å; L115-F126 HydrophobicContact CD2-CE2 4.41Å; L115-F126 HydrophobicContact CD2-CZ 3.72Å; S117-F126 WeakPolarHBondContact OG-CE2 3.28Å; Y122-F126 WeakPolarHBondContact O-CD2 3.38Å; Y122-F126 PolarHBondContact O-N 3Å; L123-F126 PolarHBondContact O-N 3.32Å
127F98.1Very high97Very high0 Ų023 Ų230%012%0.119CC..  trans-122.8131.4-168.9-57.4-59.6000112.6P31 W36 V56 A59 L82 L84 L123 Q131 L132 T165P31-F127 VanDerWaalsContact CG-C 3.48Å; P31-F127 WeakPolarHBondContact CG-O 3.45Å; W36-F127 AromaticContact CH2-CE1 3.86Å; W36-F127 HydrophobicContact CH2-CE1 3.86Å; W36-F127 HydrophobicContact CH2-CZ 4.44Å; W36-F127 HydrophobicContact CZ2-CD1 4.26Å; W36-F127 AromaticContact CZ2-CE1 3.96Å; W36-F127 HydrophobicContact CZ2-CE1 3.96Å; V56-F127 HydrophobicContact CB-CE1 3.91Å; V56-F127 HydrophobicContact CG1-CE1 3.73Å; V56-F127 HydrophobicContact CG1-CZ 4.21Å; A59-F127 HydrophobicContact CB-CE2 4.43Å; A59-F127 HydrophobicContact CB-CZ 4.39Å; L82-F127 HydrophobicContact CD2-CE1 4.31Å; L82-F127 HydrophobicContact CD2-CZ 3.78Å; L84-F127 HydrophobicContact CD1-CE2 4.17Å; L123-F127 HydrophobicContact CD1-CD2 3.72Å; L123-F127 HydrophobicContact CD1-CE2 3.57Å; L123-F127 HydrophobicContact CG-CD2 4.01Å; L123-F127 HydrophobicContact CG-CE2 4.37Å; L123-F127 PolarHBondContact O-N 3.26Å; F127-Q131 HydrophobicContact CB-CB 4.42Å; F127-L132 HydrophobicContact CD1-CD2 3.93Å; F127-L132 HydrophobicContact CD1-CG 4.4Å; F127-L132 HydrophobicContact CD2-CD1 3.94Å; F127-L132 HydrophobicContact CD2-CD2 4.48Å; F127-L132 HydrophobicContact CD2-CG 4.4Å; F127-L132 HydrophobicContact CE1-CD2 3.89Å; F127-L132 HydrophobicContact CE2-CD1 4.12Å; F127-L132 HydrophobicContact CE2-CD2 4.42Å; F127-L132 HydrophobicContact CG-CD1 4.25Å; F127-L132 HydrophobicContact CG-CD2 4.23Å; F127-L132 HydrophobicContact CG-CG 4.22Å; F127-L132 HydrophobicContact CZ-CD2 4.12Å; F127-T165 HydrophobicContact CB-CG2 3.8Å
128S97.8Very high97.1Very high33 Ų3323.5 Ų23.523%0.23112%0.122CC..  trans-66162.9171.3-63.10000111.5G130 Q131S128-G130 PolarHBondContact O-N 3.09Å; S128-Q131 VanDerWaalsContact O-CB 3.27Å; S128-Q131 WeakPolarHBondContact O-CB 3.42Å; S128-Q131 PolarHBondContact O-N 3.1Å; S128-Q131 VanDerWaalsContact O-N 3.08Å
129K97.8Very high97.1Very high148 Ų14824.2 Ų24.264%0.64313%0.125SC*.THydrogen-bonded Turntrans-55.1125174.8-174.8179.8177.1-179.80110.7Q131 Y164K129-Q131 PolarHBondContact O-N 3.21Å; K129-Y164 CarbonylContact C-O 3.55Å; K129-Y164 VanDerWaalsContact CA-O 3.26Å; K129-Y164 WeakPolarHBondContact CA-O 3.4Å; K129-Y164 HydrophobicContact CB-CD2 4.37Å; K129-Y164 HydrophobicContact CB-CE1 4.2Å; K129-Y164 HydrophobicContact CB-CE2 3.85Å; K129-Y164 HydrophobicContact CD-CD2 4.46Å; K129-Y164 HydrophobicContact CD-CE2 4.12Å; K129-Y164 HydrophobicContact CG-CD2 4.13Å; K129-Y164 HydrophobicContact CG-CE2 3.97Å
130G98.1Very high97.2Very high20 Ų2025 Ų2521%0.20613%0.13CC..THydrogen-bonded Turntrans63.819.2178.900000114.9S128 Y164 T165 R167S128-G130 PolarHBondContact O-N 3.09Å; G130-Y164 PolarHBondContact N-O 3.14Å; G130-T165 CarbonylContact C-O 3.54Å; G130-T165 WeakPolarHBondContact CA-O 3.4Å; G130-T165 PolarHBondContact N-O 3.2Å; G130-R167 WeakPolarHBondContact O-CB 3.25Å
131Q98.3Very high97.1Very high9 Ų926.4 Ų26.44%0.04214%0.137CC..  trans-66.1-41.5179.3-174179.9-3700111.8Q55 V56 F127 S128 K129 T165 R167Q55-Q131 HydrophobicContact CB-CG 4.31Å; V56-Q131 WeakPolarHBondContact O-CG 3.28Å; V56-Q131 PolarHBondContact O-NE2 3.07Å; V56-Q131 VanDerWaalsContact O-NE2 3.16Å; F127-Q131 HydrophobicContact CB-CB 4.42Å; S128-Q131 VanDerWaalsContact O-CB 3.27Å; S128-Q131 WeakPolarHBondContact O-CB 3.42Å; S128-Q131 PolarHBondContact O-N 3.1Å; S128-Q131 VanDerWaalsContact O-N 3.08Å; K129-Q131 PolarHBondContact O-N 3.21Å; Q131-T165 PolarHBondContact N-O 3.39Å; Q131-R167 PolarHBondContact O-NH2 3.34Å
132L98.8Very high96.9Very high0 Ų024.1 Ų24.10%013%0.13CC..EExtended strand (participates in β ladder)trans-79.4149.5-176.5-58.3176.8000111.3V56 E57 A59 F127 M135 T165 L166 R167V56-L132 HydrophobicContact CG1-CD2 4.23Å; E57-L132 CarbonylContact O-C 3.58Å; E57-L132 WeakPolarHBondContact O-CA 3.44Å; A59-L132 HydrophobicContact CB-CD1 3.8Å; A59-L132 HydrophobicContact CB-CD2 4.1Å; F127-L132 HydrophobicContact CD1-CD2 3.93Å; F127-L132 HydrophobicContact CD1-CG 4.4Å; F127-L132 HydrophobicContact CD2-CD1 3.94Å; F127-L132 HydrophobicContact CD2-CD2 4.48Å; F127-L132 HydrophobicContact CD2-CG 4.4Å; F127-L132 HydrophobicContact CE1-CD2 3.89Å; F127-L132 HydrophobicContact CE2-CD1 4.12Å; F127-L132 HydrophobicContact CE2-CD2 4.42Å; F127-L132 HydrophobicContact CG-CD1 4.25Å; F127-L132 HydrophobicContact CG-CD2 4.23Å; F127-L132 HydrophobicContact CG-CG 4.22Å; F127-L132 HydrophobicContact CZ-CD2 4.12Å; L132-M135 HydrophobicContact CD1-CE 4.42Å; L132-M135 HydrophobicContact CD1-CG 3.9Å; L132-M135 HydrophobicContact CD1-SD 4.11Å; L132-T165 PolarHBondContact N-O 3.1Å; L132-L166 HydrophobicContact CB-CD1 3.99Å; L132-L166 WeakPolarHBondContact O-CD1 3.35Å; L132-R167 VanDerWaalsContact O-CG 3.3Å; L132-R167 WeakPolarHBondContact O-CG 3.34Å; L132-R167 PolarHBondContact O-N 3.26Å; L132-R167 PolarHBondContact O-NE 3.28Å
133S98.7Very high96.6Very high18 Ų1823.5 Ų23.513%0.12613%0.128CC..EExtended strand (participates in β ladder)trans-112-23.2166.960.80000113E57 F58 G170 L171E57-S133 PolarHBondContact O-N 3.24Å; E57-S133 PolarHBondContact O-OG 2.91Å; F58-S133 WeakPolarHBondContact CD1-OG 3.24Å; F58-S133 VanDerWaalsContact CE1-OG 3.24Å; F58-S133 WeakPolarHBondContact CE1-OG 3.45Å; S133-G170 CarbonylContact O-C 3.58Å; S133-G170 WeakPolarHBondContact O-CA 3.39Å; S133-L171 PolarHBondContact O-N 3.3Å
134K98.8Very high96.1Very high36 Ų3629.2 Ų29.216%0.15715%0.153CC..EExtended strand (participates in β ladder)trans-139.3134.6179.7-60.2-172-174.5-68.70111.5E57 F58 A59 F136 L171 Y173 I208E57-K134 PolarHBondContact O-N 2.76Å; F58-K134 WeakPolarHBondContact CA-O 3.39Å; F58-K134 HydrophobicContact CB-CB 4.5Å; F58-K134 HydrophobicContact CD1-CB 3.81Å; F58-K134 HydrophobicContact CD1-CD 4.08Å; F58-K134 HydrophobicContact CD1-CG 3.92Å; F58-K134 HydrophobicContact CD2-CD 4.19Å; F58-K134 HydrophobicContact CE1-CB 4.25Å; F58-K134 HydrophobicContact CE1-CD 3.72Å; F58-K134 HydrophobicContact CE1-CG 3.83Å; F58-K134 HydrophobicContact CE2-CD 3.8Å; F58-K134 HydrophobicContact CG-CB 4.01Å; F58-K134 HydrophobicContact CG-CD 4.35Å; F58-K134 HydrophobicContact CG-CG 4.44Å; F58-K134 HydrophobicContact CZ-CD 3.56Å; F58-K134 HydrophobicContact CZ-CG 4.22Å; A59-K134 PolarHBondContact N-O 2.88Å; K134-F136 HydrophobicContact CB-CE2 3.87Å; K134-F136 HydrophobicContact CB-CZ 3.75Å; K134-F136 HydrophobicContact CD-CZ 4.02Å; K134-L171 CarbonylContact C-O 3.44Å; K134-L171 VanDerWaalsContact CA-O 3.3Å; K134-L171 WeakPolarHBondContact CA-O 3.49Å; K134-Y173 HydrophobicContact CB-CE2 4.18Å; K134-Y173 HydrophobicContact CD-CE2 3.93Å; K134-Y173 HydrophobicContact CG-CE2 4.04Å; K134-Y173 PolarHBondContact NZ-OH 3.07Å; K134-I208 HydrophobicContact CD-CD1 3.57Å
135M98.8Very high95.6Very high0 Ų034.2 Ų34.20%017%0.171CC..EExtended strand (participates in β ladder)trans-125.7140.2171.3-64.1179.975.400110.1A59 I61 L123 L132 F137 Y162 L166 L171 V172 Y173A59-M135 CarbonylContact O-C 3.58Å; A59-M135 WeakPolarHBondContact O-CA 3.37Å; I61-M135 HydrophobicContact CD1-CE 4.15Å; I61-M135 HydrophobicContact CG1-CE 4.05Å; L123-M135 HydrophobicContact CD2-CE 3.71Å; L132-M135 HydrophobicContact CD1-CE 4.42Å; L132-M135 HydrophobicContact CD1-CG 3.9Å; L132-M135 HydrophobicContact CD1-SD 4.11Å; M135-F137 HydrophobicContact CB-CE2 4.04Å; M135-F137 HydrophobicContact CE-CE2 4.25Å; M135-F137 HydrophobicContact CE-CZ 3.88Å; M135-Y162 HydrophobicContact CE-CD1 3.69Å; M135-Y162 HydrophobicContact CE-CE1 4.28Å; M135-Y162 HydrophobicContact CE-CG 3.95Å; M135-Y162 HydrophobicContact SD-CG 4.47Å; M135-L166 HydrophobicContact CG-CD1 4.21Å; M135-L166 HydrophobicContact SD-CB 4.26Å; M135-L166 HydrophobicContact SD-CD2 4.38Å; M135-L171 PolarHBondContact N-O 3.37Å; M135-V172 HydrophobicContact CB-CG2 4.37Å; M135-V172 CarbonylContact O-C 3.36Å; M135-V172 WeakPolarHBondContact O-CA 3.27Å; M135-Y173 PolarHBondContact O-N 2.99Å
136F98.8Very high95.1Very high0 Ų041.1 Ų41.10%020%0.199CC..EExtended strand (participates in β ladder)trans-121.8132-178.7-51.1-86.5000110.4F58 A59 D60 I61 L68 L72 K134 L138 Y173 I208 L212F58-F136 HydrophobicContact CB-CE2 4.21Å; F58-F136 HydrophobicContact CD2-CE2 4.4Å; F58-F136 HydrophobicContact CG-CE2 4.47Å; A59-F136 WeakPolarHBondContact O-CD2 3.23Å; A59-F136 PolarHBondContact O-N 2.84Å; D60-F136 HydrophobicContact CB-CD2 4.49Å; I61-F136 WeakPolarHBondContact CB-O 3.22Å; I61-F136 PolarHBondContact N-O 2.57Å; L68-F136 HydrophobicContact CD2-CB 3.63Å; L68-F136 HydrophobicContact CD2-CD1 3.79Å; L68-F136 HydrophobicContact CD2-CD2 3.76Å; L68-F136 HydrophobicContact CD2-CE1 4.44Å; L68-F136 HydrophobicContact CD2-CE2 4.39Å; L68-F136 HydrophobicContact CD2-CG 3.43Å; L68-F136 VanDerWaalsContact CD2-CG 3.43Å; L72-F136 HydrophobicContact CD1-CE1 4.3Å; L72-F136 HydrophobicContact CD1-CE2 3.88Å; L72-F136 HydrophobicContact CD1-CZ 3.7Å; K134-F136 HydrophobicContact CB-CE2 3.87Å; K134-F136 HydrophobicContact CB-CZ 3.75Å; K134-F136 HydrophobicContact CD-CZ 4.02Å; F136-L138 HydrophobicContact CB-CD2 4.45Å; F136-L138 HydrophobicContact CB-CG 4.23Å; F136-Y173 WeakPolarHBondContact CA-O 3.42Å; F136-Y173 AromaticContact CD1-CD2 3.67Å; F136-Y173 HydrophobicContact CD1-CD2 3.67Å; F136-Y173 AromaticContact CD1-CG 3.86Å; F136-Y173 HydrophobicContact CD1-CG 3.86Å; F136-Y173 AromaticContact CE1-CD2 3.31Å; F136-Y173 HydrophobicContact CE1-CD2 3.31Å; F136-Y173 AromaticContact CE1-CE2 3.76Å; F136-Y173 HydrophobicContact CE1-CE2 3.76Å; F136-Y173 AromaticContact CE1-CG 3.77Å; F136-Y173 HydrophobicContact CE1-CG 3.77Å; F136-Y173 HydrophobicContact CZ-CD2 4.09Å; F136-Y173 HydrophobicContact CZ-CE2 4.22Å; F136-I208 HydrophobicContact CE1-CD1 4.34Å; F136-I208 HydrophobicContact CE1-CG2 3.86Å; F136-I208 HydrophobicContact CZ-CD1 4.24Å; F136-L212 HydrophobicContact CD1-CD2 4.13Å
137F98.3Very high94.7Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-127.386.5173.4-60.8-90.4000107.9I61 M135 I153 I154 Y162 V172 Y173 T174 N175I61-F137 HydrophobicContact CB-CD1 3.8Å; I61-F137 HydrophobicContact CB-CE1 3.64Å; I61-F137 HydrophobicContact CB-CZ 4.26Å; I61-F137 HydrophobicContact CG1-CD1 4.29Å; I61-F137 HydrophobicContact CG1-CE1 3.74Å; I61-F137 HydrophobicContact CG1-CE2 4.46Å; I61-F137 HydrophobicContact CG1-CZ 3.85Å; I61-F137 HydrophobicContact CG2-CD1 4.01Å; I61-F137 HydrophobicContact CG2-CE1 3.65Å; M135-F137 HydrophobicContact CB-CE2 4.04Å; M135-F137 HydrophobicContact CE-CE2 4.25Å; M135-F137 HydrophobicContact CE-CZ 3.88Å; F137-I153 HydrophobicContact CD1-CB 4.48Å; F137-I153 HydrophobicContact CD1-CG1 3.79Å; F137-I153 HydrophobicContact CD1-CG2 3.8Å; F137-I153 HydrophobicContact CE1-CG1 3.68Å; F137-I153 HydrophobicContact CE1-CG2 4.36Å; F137-I154 HydrophobicContact CD1-CD1 4.11Å; F137-I154 HydrophobicContact CD2-CD1 4.45Å; F137-I154 HydrophobicContact CE1-CD1 4.13Å; F137-I154 HydrophobicContact CE2-CD1 4.48Å; F137-I154 HydrophobicContact CG-CD1 4.27Å; F137-I154 HydrophobicContact CZ-CD1 4.31Å; F137-Y162 HydrophobicContact CE1-CE1 4.46Å; F137-Y162 AromaticContact CE1-CE2 3.8Å; F137-Y162 HydrophobicContact CE1-CE2 3.8Å; F137-Y162 AromaticContact CE1-CZ 3.75Å; F137-Y162 HydrophobicContact CE2-CD2 4.37Å; F137-Y162 HydrophobicContact CE2-CE2 4.36Å; F137-Y162 HydrophobicContact CZ-CD1 4.42Å; F137-Y162 AromaticContact CZ-CD2 3.74Å; F137-Y162 HydrophobicContact CZ-CD2 3.74Å; F137-Y162 HydrophobicContact CZ-CE1 4.14Å; F137-Y162 AromaticContact CZ-CE2 3.43Å; F137-Y162 HydrophobicContact CZ-CE2 3.43Å; F137-Y162 VanDerWaalsContact CZ-CE2 3.43Å; F137-Y162 HydrophobicContact CZ-CG 4.25Å; F137-Y162 AromaticContact CZ-CZ 3.64Å; F137-V172 HydrophobicContact CD2-CG1 3.52Å; F137-V172 HydrophobicContact CE2-CG1 3.51Å; F137-Y173 PolarHBondContact N-O 3.5Å; F137-T174 HydrophobicContact CB-CG2 4.37Å; F137-T174 HydrophobicContact CD2-CG2 4.47Å; F137-T174 WeakPolarHBondContact O-CA 3.45Å; F137-N175 PolarHBondContact O-N 3.07Å; F137-N175 VanDerWaalsContact O-N 3.09Å
138L97.6Very high94.2Very high14 Ų1450 Ų507%0.07325%0.247CC..EExtended strand (participates in β ladder)trans-105.8120.1-172.7-50.4-171.2000110.6L68 F136 N175 L212 T216L68-L138 HydrophobicContact CB-CD1 4.23Å; L68-L138 HydrophobicContact CD1-CD1 4.05Å; L68-L138 HydrophobicContact CD2-CD1 3.71Å; L68-L138 HydrophobicContact CD2-CG 4.5Å; L68-L138 HydrophobicContact CG-CD1 4.21Å; F136-L138 HydrophobicContact CB-CD2 4.45Å; F136-L138 HydrophobicContact CB-CG 4.23Å; L138-N175 HydrophobicContact CD2-CB 3.85Å; L138-L212 HydrophobicContact CD1-CD2 3.86Å; L138-L212 HydrophobicContact CD2-CD2 3.85Å; L138-T216 HydrophobicContact CB-CG2 4.32Å; L138-T216 HydrophobicContact CD1-CG2 3.75Å
139F95.9Very high93.8Very high20 Ų2050.1 Ų50.19%0.08824%0.244CC..SBendtrans51.650.3-178.5-52.6-85.4000113N175 D177 T216 E218 V222 N229F139-N175 WeakPolarHBondContact CA-O 3.5Å; F139-N175 PolarHBondContact N-O 2.99Å; F139-D177 HydrophobicContact CD1-CB 4.44Å; F139-D177 HydrophobicContact CE1-CB 4.33Å; F139-T216 WeakPolarHBondContact CD2-OG1 3.36Å; F139-T216 WeakPolarHBondContact CE2-OG1 3.29Å; F139-E218 HydrophobicContact CB-CB 3.67Å; F139-E218 HydrophobicContact CB-CG 4.03Å; F139-E218 HydrophobicContact CD1-CB 4.13Å; F139-E218 HydrophobicContact CD2-CB 3.72Å; F139-E218 HydrophobicContact CE2-CB 4.44Å; F139-E218 HydrophobicContact CG-CB 3.55Å; F139-E218 HydrophobicContact CG-CG 4.45Å; F139-V222 HydrophobicContact CD1-CG2 4.45Å; F139-V222 HydrophobicContact CE1-CG2 3.98Å; F139-N229 WeakPolarHBondContact CE1-OD1 3.32Å
140P94.6Very high93.3Very high24 Ų2449.8 Ų49.816%0.15624%0.243CC..  trans-64151.7-179.630-36000111.3I153 V181 M185P140-I153 HydrophobicContact CB-CG2 3.72Å; P140-I153 HydrophobicContact CG-CG2 4.38Å; P140-V181 HydrophobicContact CG-CG1 4.17Å; P140-M185 HydrophobicContact CG-SD 4.11Å
141D91.5Very high93Very high51 Ų5151.1 Ų51.127%0.27324%0.241SC..  trans-57.1126.1-179.8-86.3-9.9000111.5H16 H143H16-D141 VanDerWaalsContact CA-OD2 3.28Å; H16-D141 WeakPolarHBondContact CA-OD2 3.5Å; H16-D141 WeakPolarHBondContact CB-OD2 3.42Å; H16-D141 VanDerWaalsContact CD2-CG 3.44Å; H16-D141 IonicContact CD2-OD1 3.61Å; H16-D141 PolarHBondContact CD2-OD1 2.95Å; H16-D141 IonicContact CD2-OD2 2.85Å; H16-D141 PolarHBondContact CD2-OD2 3.1Å; H16-D141 IonicContact CG-OD1 2.8Å; H16-D141 IonicContact CG-OD2 3.69Å; H16-D141 IonicContact NE2-OD1 3.67Å; D141-H143 PolarHBondContact O-N 3.35Å; D141-H143 IonicContact OD2-CE1 3.04Å
142P89.4Confident92.8Very high21 Ų2151 Ų5114%0.13624%0.241CC..  trans-73.3-27-170.525.5-35.1000113.9F144 R152 V181P142-F144 VanDerWaalsContact C-N 3.34Å; P142-F144 HydrophobicContact CB-CD1 4.21Å; P142-F144 HydrophobicContact CB-CD2 4.11Å; P142-F144 HydrophobicContact CB-CE1 3.81Å; P142-F144 HydrophobicContact CB-CE2 3.68Å; P142-F144 HydrophobicContact CB-CG 4.35Å; P142-F144 HydrophobicContact CB-CZ 3.51Å; P142-F144 HydrophobicContact CG-CD2 3.87Å; P142-F144 HydrophobicContact CG-CE1 4.34Å; P142-F144 HydrophobicContact CG-CE2 3.29Å; P142-F144 HydrophobicContact CG-CZ 3.57Å; P142-F144 PolarHBondContact O-N 3.05Å; P142-R152 VanDerWaalsContact O-CZ 3.27Å; P142-R152 PolarHBondContact O-NE 2.77Å; P142-R152 PolarHBondContact O-NH2 3.18Å; P142-V181 HydrophobicContact CB-CG2 3.46Å; P142-V181 VanDerWaalsContact CB-CG2 3.46Å
143H89.1Confident92.7Very high22 Ų2252.4 Ų52.410%0.10225%0.248CC..  trans41.453.2-176.3-64.7-48.9000114.7D141 K145 K148 H149 W151 R152D141-H143 PolarHBondContact O-N 3.35Å; D141-H143 IonicContact OD2-CE1 3.04Å; H143-K145 PolarHBondContact O-N 2.87Å; H143-K148 HydrophobicContact CB-CB 3.99Å; H143-H149 PolarHBondContact O-CD2 2.85Å; H143-H149 VanDerWaalsContact O-CD2 3.31Å; H143-W151 VanDerWaalsContact CD2-C 3.45Å; H143-W151 PolarHBondContact CD2-O 3.31Å; H143-W151 VanDerWaalsContact CD2-O 3.3Å; H143-W151 PolarHBondContact NE2-O 2.91Å; H143-R152 HydrophobicContact CB-CG 4.27Å
144F86.5Confident92.6Very high120 Ų12051.7 Ų51.753%0.52624%0.243SC..  trans-49.6-23.2-173.4-61.9-71.9000117.6P142 K146 V178P142-F144 VanDerWaalsContact C-N 3.34Å; P142-F144 HydrophobicContact CB-CD1 4.21Å; P142-F144 HydrophobicContact CB-CD2 4.11Å; P142-F144 HydrophobicContact CB-CE1 3.81Å; P142-F144 HydrophobicContact CB-CE2 3.68Å; P142-F144 HydrophobicContact CB-CG 4.35Å; P142-F144 HydrophobicContact CB-CZ 3.51Å; P142-F144 HydrophobicContact CG-CD2 3.87Å; P142-F144 HydrophobicContact CG-CE1 4.34Å; P142-F144 HydrophobicContact CG-CE2 3.29Å; P142-F144 HydrophobicContact CG-CZ 3.57Å; P142-F144 PolarHBondContact O-N 3.05Å; F144-K146 PolarHBondContact O-N 2.84Å; F144-V178 HydrophobicContact CE1-CG1 3.6Å; F144-V178 HydrophobicContact CZ-CG1 3.91Å; F144-V178 HydrophobicContact CZ-CG2 4.24Å
145K86.6Confident92.4Very high143 Ų14351.4 Ų51.462%0.62225%0.245SC*.SBendtrans-77.7125.9178.9-64.1-171.5179.1-170.40108.5H143 T147 K148 H149H143-K145 PolarHBondContact O-N 2.87Å; K145-T147 PolarHBondContact O-N 2.89Å; K145-K148 HydrophobicContact CB-CB 4.47Å; K145-K148 HydrophobicContact CB-CD 4.39Å; K145-K148 HydrophobicContact CB-CG 4.26Å; K145-K148 WeakPolarHBondContact O-CA 3.21Å; K145-K148 WeakPolarHBondContact O-CB 3.18Å; K145-K148 PolarHBondContact O-N 2.81Å; K145-H149 PolarHBondContact O-CD2 3.09Å; K145-H149 VanDerWaalsContact O-CD2 3.26Å; K145-H149 PolarHBondContact O-N 2.9Å
146K85.5Confident92.1Very high183 Ų18355.3 Ų55.380%0.79627%0.27SS*.G310 helixtrans-45.7-42.1177.2-70-173.6179.1-178.60113.6F144 K148 H149F144-K146 PolarHBondContact O-N 2.84Å; K146-K148 PolarHBondContact O-N 3.13Å; K146-K148 VanDerWaalsContact O-N 3.11Å; K146-H149 WeakPolarHBondContact O-CB 3.1Å; K146-H149 PolarHBondContact O-N 3.15Å; K146-H149 VanDerWaalsContact O-N 3.09Å
147T89.1Confident91.8Very high111 Ų11160.1 Ų60.168%0.68130%0.3SS*.G310 helixtrans-62.2-17.6177.953.70000114.5K145K145-T147 PolarHBondContact O-N 2.89Å
148K88.4Confident91.7Very high77 Ų7760.5 Ų60.534%0.33530%0.302SS..G310 helixtrans-105.82178.7-61.1-172.6171-168.90113.3H143 K145 K146 K150 W151H143-K148 HydrophobicContact CB-CB 3.99Å; K145-K148 HydrophobicContact CB-CB 4.47Å; K145-K148 HydrophobicContact CB-CD 4.39Å; K145-K148 HydrophobicContact CB-CG 4.26Å; K145-K148 WeakPolarHBondContact O-CA 3.21Å; K145-K148 WeakPolarHBondContact O-CB 3.18Å; K145-K148 PolarHBondContact O-N 2.81Å; K146-K148 PolarHBondContact O-N 3.13Å; K146-K148 VanDerWaalsContact O-N 3.11Å; K148-K150 PolarHBondContact O-N 2.99Å; K148-W151 HydrophobicContact CB-CD2 4.27Å; K148-W151 HydrophobicContact CB-CE3 3.89Å; K148-W151 HydrophobicContact CB-CZ3 4.35Å; K148-W151 HydrophobicContact CD-CE3 3.79Å; K148-W151 HydrophobicContact CD-CH2 4.24Å; K148-W151 HydrophobicContact CD-CZ3 3.47Å; K148-W151 VanDerWaalsContact CD-CZ3 3.47Å; K148-W151 VanDerWaalsContact CE-CZ3 3.46Å; K148-W151 HydrophobicContact CG-CD2 4.41Å; K148-W151 HydrophobicContact CG-CE3 3.82Å; K148-W151 HydrophobicContact CG-CH2 4.24Å; K148-W151 HydrophobicContact CG-CZ3 3.75Å; K148-W151 WeakPolarHBondContact O-CB 3.38Å; K148-W151 PolarHBondContact O-N 3.48Å
149H88.9Confident91.7Very high35 Ų3559.9 Ų59.916%0.16230%0.299CS..G310 helixtrans-61.1-27.9177.4-71.7-166.8000112.3H143 K145 K146 W151 R152 W184H143-H149 PolarHBondContact O-CD2 2.85Å; H143-H149 VanDerWaalsContact O-CD2 3.31Å; K145-H149 PolarHBondContact O-CD2 3.09Å; K145-H149 VanDerWaalsContact O-CD2 3.26Å; K145-H149 PolarHBondContact O-N 2.9Å; K146-H149 WeakPolarHBondContact O-CB 3.1Å; K146-H149 PolarHBondContact O-N 3.15Å; K146-H149 VanDerWaalsContact O-N 3.09Å; H149-W151 PolarHBondContact O-N 2.82Å; H149-W151 VanDerWaalsContact O-N 3.08Å; H149-R152 PolarHBondContact NE2-NH2 2.85Å; H149-R152 VanDerWaalsContact O-CB 3.32Å; H149-R152 WeakPolarHBondContact O-CB 3.43Å; H149-R152 PolarHBondContact O-N 3.28Å; H149-W184 HydrophobicContact CB-CH2 3.79Å; H149-W184 HydrophobicContact CB-CZ2 4.17Å; H149-W184 AromaticContact CE1-CZ3 3.83Å; H149-W184 AromaticContact CG-CH2 3.85Å; H149-W184 AromaticContact ND1-CH2 3.34Å; H149-W184 VanDerWaalsContact ND1-CH2 3.34Å; H149-W184 WeakPolarHBondContact ND1-CH2 3.33Å; H149-W184 AromaticContact ND1-CZ3 3.25Å; H149-W184 WeakPolarHBondContact ND1-CZ3 3.49Å
150K88.1Confident91.8Very high142 Ų14261.4 Ų61.462%0.61732%0.315SS*.G310 helixtrans-60.9-11.5170.766.6176.7180178.10114.9K148K148-K150 PolarHBondContact O-N 2.99Å
151W91.8Very high91.9Very high47 Ų4762.6 Ų62.618%0.17832%0.318CS..G310 helixtrans-97.5-4.3175.2-57.9-19.4000112.6N18 P19 H143 K148 H149N18-W151 HydrophobicContact CB-CH2 4.4Å; N18-W151 VanDerWaalsContact OD1-CE2 3.27Å; N18-W151 WeakPolarHBondContact OD1-CZ2 3.35Å; N18-W151 PolarHBondContact OD1-NE1 2.97Å; P19-W151 HydrophobicContact CG-CB 3.81Å; P19-W151 HydrophobicContact CG-CG 4.04Å; H143-W151 VanDerWaalsContact CD2-C 3.45Å; H143-W151 PolarHBondContact CD2-O 3.31Å; H143-W151 VanDerWaalsContact CD2-O 3.3Å; H143-W151 PolarHBondContact NE2-O 2.91Å; K148-W151 HydrophobicContact CB-CD2 4.27Å; K148-W151 HydrophobicContact CB-CE3 3.89Å; K148-W151 HydrophobicContact CB-CZ3 4.35Å; K148-W151 HydrophobicContact CD-CE3 3.79Å; K148-W151 HydrophobicContact CD-CH2 4.24Å; K148-W151 HydrophobicContact CD-CZ3 3.47Å; K148-W151 VanDerWaalsContact CD-CZ3 3.47Å; K148-W151 VanDerWaalsContact CE-CZ3 3.46Å; K148-W151 HydrophobicContact CG-CD2 4.41Å; K148-W151 HydrophobicContact CG-CE3 3.82Å; K148-W151 HydrophobicContact CG-CH2 4.24Å; K148-W151 HydrophobicContact CG-CZ3 3.75Å; K148-W151 WeakPolarHBondContact O-CB 3.38Å; K148-W151 PolarHBondContact O-N 3.48Å; H149-W151 PolarHBondContact O-N 2.82Å; H149-W151 VanDerWaalsContact O-N 3.08Å
152R94.4Very high92.3Very high7 Ų760.1 Ų60.13%0.02631%0.305CS..SBendtrans-66.6137.5174.2-69.8-179174.2179.91109.2P142 H143 H149 I154 E180P142-R152 VanDerWaalsContact O-CZ 3.27Å; P142-R152 PolarHBondContact O-NE 2.77Å; P142-R152 PolarHBondContact O-NH2 3.18Å; H143-R152 HydrophobicContact CB-CG 4.27Å; H149-R152 PolarHBondContact NE2-NH2 2.85Å; H149-R152 VanDerWaalsContact O-CB 3.32Å; H149-R152 WeakPolarHBondContact O-CB 3.43Å; H149-R152 PolarHBondContact O-N 3.28Å; R152-I154 PolarHBondContact O-N 2.85Å; R152-E180 IonicContact CZ-OE1 3.11Å; R152-E180 IonicContact NH1-OE1 3.63Å; R152-E180 IonicContact NH2-OE1 3.57Å; R152-E180 PolarHBondContact NH2-OE1 3.11Å
153I95.3Very high92.7Very high30 Ų3059.2 Ų59.215%0.15430%0.3CS..SBendtrans-67-16.8-179.5-160.159.8000112.7I61 M120 F137 P140 L158 Y162I61-I153 HydrophobicContact CG2-CD1 4.05Å; I61-I153 HydrophobicContact CG2-CG1 4.02Å; M120-I153 HydrophobicContact CG-CD1 3.31Å; M120-I153 HydrophobicContact SD-CD1 4.1Å; F137-I153 HydrophobicContact CD1-CB 4.48Å; F137-I153 HydrophobicContact CD1-CG1 3.79Å; F137-I153 HydrophobicContact CD1-CG2 3.8Å; F137-I153 HydrophobicContact CE1-CG1 3.68Å; F137-I153 HydrophobicContact CE1-CG2 4.36Å; P140-I153 HydrophobicContact CB-CG2 3.72Å; P140-I153 HydrophobicContact CG-CG2 4.38Å; I153-L158 VanDerWaalsContact O-CD1 3.22Å; I153-L158 WeakPolarHBondContact O-CD1 3.4Å; I153-Y162 WeakPolarHBondContact CG1-OH 3.44Å; I153-Y162 WeakPolarHBondContact O-CE2 3.4Å; I153-Y162 PolarHBondContact O-OH 3.43Å
154I97Very high93.1Very high3 Ų363.5 Ų63.52%0.01532%0.316CS..  trans-107.7115.2173.6-53.8-51.1000109.4F137 R152 L159 Y162 W184 M185 H188 F189F137-I154 HydrophobicContact CD1-CD1 4.11Å; F137-I154 HydrophobicContact CD2-CD1 4.45Å; F137-I154 HydrophobicContact CE1-CD1 4.13Å; F137-I154 HydrophobicContact CE2-CD1 4.48Å; F137-I154 HydrophobicContact CG-CD1 4.27Å; F137-I154 HydrophobicContact CZ-CD1 4.31Å; R152-I154 PolarHBondContact O-N 2.85Å; I154-L159 HydrophobicContact CG2-CD1 4.38Å; I154-L159 HydrophobicContact CG2-CD2 4.3Å; I154-L159 HydrophobicContact CG2-CG 4.41Å; I154-Y162 HydrophobicContact CD1-CE2 3.9Å; I154-W184 PolarHBondContact O-NE1 2.91Å; I154-M185 HydrophobicContact CB-CG 4.28Å; I154-M185 HydrophobicContact CG1-CB 4.44Å; I154-M185 HydrophobicContact CG1-CG 3.72Å; I154-M185 HydrophobicContact CG1-SD 4.09Å; I154-H188 HydrophobicContact CG2-CB 3.93Å; I154-F189 HydrophobicContact CD1-CE2 3.73Å; I154-F189 HydrophobicContact CD1-CZ 4.04Å; I154-F189 HydrophobicContact CG1-CE2 4.13Å; I154-F189 HydrophobicContact CG2-CD2 4.25Å; I154-F189 HydrophobicContact CG2-CE2 4.04Å
155S94.2Very high93.7Very high30 Ų3057.8 Ų57.821%0.2129%0.291CS..  trans-150.2161.3174.671.10000109.8T157 L158 L159S155-T157 VanDerWaalsContact C-N 3.32Å; S155-T157 PolarHBondContact O-N 3.17Å; S155-L158 PolarHBondContact O-N 3.46Å; S155-L158 WeakPolarHBondContact OG-CG 3.27Å; S155-L158 PolarHBondContact OG-N 3.04Å; S155-L159 WeakPolarHBondContact O-CG 3.27Å; S155-L159 PolarHBondContact O-N 3.45Å
156P92.7Very high94.2Very high81 Ų8151 Ų5153%0.52626%0.261SS..Hα-helixtrans-53.9-44.4-179.5-28.436.3000113.9L159 A160P156-L159 PolarHBondContact O-N 2.74Å; P156-A160 PolarHBondContact O-N 3.35Å
157T92.7Very high94.9Very high102 Ų10246.2 Ų46.263%0.62624%0.238SC*.Hα-helixtrans-63.9-45179-51.10000111.9S155 L159 A160 E161S155-T157 VanDerWaalsContact C-N 3.32Å; S155-T157 PolarHBondContact O-N 3.17Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.78Å; T157-A160 WeakPolarHBondContact O-CB 3.5Å; T157-A160 PolarHBondContact O-N 2.81Å; T157-E161 PolarHBondContact O-N 3.27Å
158L97Very high95.3Very high7 Ų744.4 Ų44.44%0.03723%0.226CC..Hα-helixtrans-67-34.3179.6-70.6172.8000112.1M120 I153 S155 A160 E161 Y162M120-L158 HydrophobicContact CB-CD1 4.34Å; M120-L158 HydrophobicContact CB-CD2 4.09Å; M120-L158 HydrophobicContact CE-CD1 3.83Å; M120-L158 HydrophobicContact CG-CD1 3.91Å; M120-L158 HydrophobicContact CG-CD2 4.42Å; I153-L158 VanDerWaalsContact O-CD1 3.22Å; I153-L158 WeakPolarHBondContact O-CD1 3.4Å; S155-L158 PolarHBondContact O-N 3.46Å; S155-L158 WeakPolarHBondContact OG-CG 3.27Å; S155-L158 PolarHBondContact OG-N 3.04Å; L158-A160 VanDerWaalsContact C-N 3.26Å; L158-A160 PolarHBondContact O-N 3.46Å; L158-E161 PolarHBondContact O-N 2.93Å; L158-E161 VanDerWaalsContact O-N 3.15Å; L158-Y162 HydrophobicContact CB-CE1 4.24Å; L158-Y162 HydrophobicContact CB-CE2 3.9Å; L158-Y162 VanDerWaalsContact O-CD1 3.22Å; L158-Y162 WeakPolarHBondContact O-CD1 3.46Å; L158-Y162 WeakPolarHBondContact O-CD2 3.44Å; L158-Y162 PolarHBondContact O-N 3.39Å
159L98.1Very high95.8Very high1 Ų142.7 Ų42.71%0.00523%0.231CC..Hα-helixtrans-61.5-35175.3-72.2172.6000112.2I154 S155 P156 T157 Y162 A163 H188 F189 H192 F195I154-L159 HydrophobicContact CG2-CD1 4.38Å; I154-L159 HydrophobicContact CG2-CD2 4.3Å; I154-L159 HydrophobicContact CG2-CG 4.41Å; S155-L159 WeakPolarHBondContact O-CG 3.27Å; S155-L159 PolarHBondContact O-N 3.45Å; P156-L159 PolarHBondContact O-N 2.74Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.78Å; L159-Y162 HydrophobicContact CD2-CD2 4.13Å; L159-Y162 PolarHBondContact O-N 3.43Å; L159-A163 WeakPolarHBondContact O-CB 3.48Å; L159-A163 PolarHBondContact O-N 2.64Å; L159-H188 HydrophobicContact CD1-CB 3.86Å; L159-H188 VanDerWaalsContact CD1-O 3.23Å; L159-H188 WeakPolarHBondContact CD1-O 3.41Å; L159-F189 HydrophobicContact CD2-CD1 3.54Å; L159-F189 HydrophobicContact CD2-CD2 4.2Å; L159-F189 HydrophobicContact CD2-CE1 3.2Å; L159-F189 HydrophobicContact CD2-CE2 3.9Å; L159-F189 HydrophobicContact CD2-CG 4.02Å; L159-F189 HydrophobicContact CD2-CZ 3.37Å; L159-H192 VanDerWaalsContact CB-CD2 3.47Å; L159-H192 WeakPolarHBondContact CB-CD2 3.39Å; L159-H192 HydrophobicContact CD1-CB 3.98Å; L159-F195 HydrophobicContact CB-CE2 4.33Å; L159-F195 HydrophobicContact CD2-CD2 4.33Å; L159-F195 HydrophobicContact CD2-CE2 4.09Å
160A96.9Very high96.3Very high52 Ų5241.2 Ų41.243%0.4323%0.225SC..Hα-helixtrans-65-42.3173.800000111.8P156 T157 L158 A163 Y164P156-A160 PolarHBondContact O-N 3.35Å; T157-A160 WeakPolarHBondContact O-CB 3.5Å; T157-A160 PolarHBondContact O-N 2.81Å; L158-A160 VanDerWaalsContact C-N 3.26Å; L158-A160 PolarHBondContact O-N 3.46Å; A160-A163 PolarHBondContact O-N 3.3Å; A160-Y164 WeakPolarHBondContact O-CB 3.39Å; A160-Y164 PolarHBondContact O-N 3.06Å
161E97.6Very high96.8Very high49 Ų4935.5 Ų35.523%0.22920%0.201CC..Hα-helixtrans-64.9-39174.7-66178.7-161.300112.2P124 T157 L158 Y164 T165P124-E161 HydrophobicContact CG-CB 4.04Å; P124-E161 HydrophobicContact CG-CG 3.91Å; T157-E161 PolarHBondContact O-N 3.27Å; L158-E161 PolarHBondContact O-N 2.93Å; L158-E161 VanDerWaalsContact O-N 3.15Å; E161-Y164 WeakPolarHBondContact O-CB 3.49Å; E161-Y164 PolarHBondContact O-N 3.17Å; E161-T165 PolarHBondContact O-N 3.02Å; E161-T165 VanDerWaalsContact O-N 3.07Å; E161-T165 PolarHBondContact O-OG1 3.03Å; E161-T165 VanDerWaalsContact O-OG1 3.07Å
162Y98.5Very high97.1Very high0 Ų033.3 Ų33.30%019%0.193CC..Hα-helixtrans-65.6-43.8175.5-56.7-17.8000110.7L123 M135 F137 I153 I154 L158 L159 Y164 T165 L166L123-Y162 HydrophobicContact CD2-CD1 3.43Å; L123-Y162 VanDerWaalsContact CD2-CD1 3.43Å; L123-Y162 HydrophobicContact CD2-CE1 3.72Å; M135-Y162 HydrophobicContact CE-CD1 3.69Å; M135-Y162 HydrophobicContact CE-CE1 4.28Å; M135-Y162 HydrophobicContact CE-CG 3.95Å; M135-Y162 HydrophobicContact SD-CG 4.47Å; F137-Y162 HydrophobicContact CE1-CE1 4.46Å; F137-Y162 AromaticContact CE1-CE2 3.8Å; F137-Y162 HydrophobicContact CE1-CE2 3.8Å; F137-Y162 AromaticContact CE1-CZ 3.75Å; F137-Y162 HydrophobicContact CE2-CD2 4.37Å; F137-Y162 HydrophobicContact CE2-CE2 4.36Å; F137-Y162 HydrophobicContact CZ-CD1 4.42Å; F137-Y162 AromaticContact CZ-CD2 3.74Å; F137-Y162 HydrophobicContact CZ-CD2 3.74Å; F137-Y162 HydrophobicContact CZ-CE1 4.14Å; F137-Y162 AromaticContact CZ-CE2 3.43Å; F137-Y162 HydrophobicContact CZ-CE2 3.43Å; F137-Y162 VanDerWaalsContact CZ-CE2 3.43Å; F137-Y162 HydrophobicContact CZ-CG 4.25Å; F137-Y162 AromaticContact CZ-CZ 3.64Å; I153-Y162 WeakPolarHBondContact CG1-OH 3.44Å; I153-Y162 WeakPolarHBondContact O-CE2 3.4Å; I153-Y162 PolarHBondContact O-OH 3.43Å; I154-Y162 HydrophobicContact CD1-CE2 3.9Å; L158-Y162 HydrophobicContact CB-CE1 4.24Å; L158-Y162 HydrophobicContact CB-CE2 3.9Å; L158-Y162 VanDerWaalsContact O-CD1 3.22Å; L158-Y162 WeakPolarHBondContact O-CD1 3.46Å; L158-Y162 WeakPolarHBondContact O-CD2 3.44Å; L158-Y162 PolarHBondContact O-N 3.39Å; L159-Y162 HydrophobicContact CD2-CD2 4.13Å; L159-Y162 PolarHBondContact O-N 3.43Å; Y162-Y164 VanDerWaalsContact C-N 3.29Å; Y162-Y164 PolarHBondContact O-N 2.81Å; Y162-T165 PolarHBondContact O-N 3.45Å; Y162-T165 PolarHBondContact O-OG1 2.99Å; Y162-L166 WeakPolarHBondContact O-CB 3.44Å; Y162-L166 PolarHBondContact O-N 3.07Å
163A98.2Very high97.3Very high2 Ų233 Ų332%0.01719%0.192CC..Hα-helixtrans-65.6-30.817600000113.1L159 A160 L166 L194 F195 R236L159-A163 WeakPolarHBondContact O-CB 3.48Å; L159-A163 PolarHBondContact O-N 2.64Å; A160-A163 PolarHBondContact O-N 3.3Å; A163-L166 VanDerWaalsContact O-O 3.14Å; A163-L194 HydrophobicContact CB-CB 3.93Å; A163-L194 HydrophobicContact CB-CD1 3.66Å; A163-L194 HydrophobicContact CB-CG 4.45Å; A163-F195 HydrophobicContact CB-CE2 3.85Å; A163-F195 HydrophobicContact CB-CZ 3.95Å; A163-R236 PolarHBondContact O-NE 3.06Å
164Y97.9Very high97.5Very high112 Ų11231.5 Ų31.544%0.43918%0.184SC..Hα-helixtrans-66-49.4174178.1-96.5000111.3P124 K129 G130 A160 E161 Y162P124-Y164 HydrophobicContact CB-CD1 4.45Å; K129-Y164 CarbonylContact C-O 3.55Å; K129-Y164 VanDerWaalsContact CA-O 3.26Å; K129-Y164 WeakPolarHBondContact CA-O 3.4Å; K129-Y164 HydrophobicContact CB-CD2 4.37Å; K129-Y164 HydrophobicContact CB-CE1 4.2Å; K129-Y164 HydrophobicContact CB-CE2 3.85Å; K129-Y164 HydrophobicContact CD-CD2 4.46Å; K129-Y164 HydrophobicContact CD-CE2 4.12Å; K129-Y164 HydrophobicContact CG-CD2 4.13Å; K129-Y164 HydrophobicContact CG-CE2 3.97Å; G130-Y164 PolarHBondContact N-O 3.14Å; A160-Y164 WeakPolarHBondContact O-CB 3.39Å; A160-Y164 PolarHBondContact O-N 3.06Å; E161-Y164 WeakPolarHBondContact O-CB 3.49Å; E161-Y164 PolarHBondContact O-N 3.17Å; Y162-Y164 VanDerWaalsContact C-N 3.29Å; Y162-Y164 PolarHBondContact O-N 2.81Å
165T98.3Very high97.5Very high0 Ų031.5 Ų31.50%018%0.184CC..Hα-helixtrans-79.1-22.6-17655.30000113.7L123 F127 G130 Q131 L132 E161 Y162L123-T165 HydrophobicContact CD2-CG2 4.45Å; L123-T165 HydrophobicContact CG-CG2 4.38Å; F127-T165 HydrophobicContact CB-CG2 3.8Å; G130-T165 CarbonylContact C-O 3.54Å; G130-T165 WeakPolarHBondContact CA-O 3.4Å; G130-T165 PolarHBondContact N-O 3.2Å; Q131-T165 PolarHBondContact N-O 3.39Å; L132-T165 PolarHBondContact N-O 3.1Å; E161-T165 PolarHBondContact O-N 3.02Å; E161-T165 VanDerWaalsContact O-N 3.07Å; E161-T165 PolarHBondContact O-OG1 3.03Å; E161-T165 VanDerWaalsContact O-OG1 3.07Å; Y162-T165 PolarHBondContact O-N 3.45Å; Y162-T165 PolarHBondContact O-OG1 2.99Å
166L98.7Very high97.6Very high0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-94.5130.3-179.4-170.263.9000112.4L132 M135 Y162 A163 V172 F195 R236L132-L166 HydrophobicContact CB-CD1 3.99Å; L132-L166 WeakPolarHBondContact O-CD1 3.35Å; M135-L166 HydrophobicContact CG-CD1 4.21Å; M135-L166 HydrophobicContact SD-CB 4.26Å; M135-L166 HydrophobicContact SD-CD2 4.38Å; Y162-L166 WeakPolarHBondContact O-CB 3.44Å; Y162-L166 PolarHBondContact O-N 3.07Å; A163-L166 VanDerWaalsContact O-O 3.14Å; L166-V172 HydrophobicContact CD2-CG2 3.49Å; L166-V172 VanDerWaalsContact CD2-CG2 3.49Å; L166-F195 HydrophobicContact CD2-CE1 4.05Å; L166-R236 HydrophobicContact CB-CG 4.36Å; L166-R236 HydrophobicContact CD2-CB 3.78Å; L166-R236 HydrophobicContact CD2-CG 4.4Å; L166-R236 HydrophobicContact CG-CB 4Å; L166-R236 HydrophobicContact CG-CG 4.35Å; L166-R236 PolarHBondContact O-NE 3.08Å; L166-R236 VanDerWaalsContact O-NE 3.12Å
167R98.5Very high97.7Very high83 Ų8330.1 Ų30.131%0.31317%0.17SC..EExtended strand (participates in β ladder)trans-67156.6178.868.7-170.367.4167.8-0.2112.5E57 G130 Q131 L132 G169 G170 R236E57-R167 IonicContact OE1-CZ 3.53Å; E57-R167 IonicContact OE1-NH1 3.53Å; E57-R167 PolarHBondContact OE1-NH1 3.22Å; E57-R167 IonicContact OE1-NH2 3.66Å; E57-R167 PolarHBondContact OE1-NH2 2.94Å; G130-R167 WeakPolarHBondContact O-CB 3.25Å; Q131-R167 PolarHBondContact O-NH2 3.34Å; L132-R167 VanDerWaalsContact O-CG 3.3Å; L132-R167 WeakPolarHBondContact O-CG 3.34Å; L132-R167 PolarHBondContact O-N 3.26Å; L132-R167 PolarHBondContact O-NE 3.28Å; R167-G169 PolarHBondContact O-N 3.09Å; R167-G170 WeakPolarHBondContact O-CA 3.3Å; R167-G170 PolarHBondContact O-N 2.7Å; R167-R236 WeakPolarHBondContact O-CD 3.35Å
168V98.6Very high97.8Very high72 Ų7226.6 Ų26.644%0.43615%0.149SC..EExtended strand (participates in β ladder)trans-49.6131.2165.3-175.40000109.2G170 E238V168-G170 PolarHBondContact O-N 2.98Å; V168-E238 HydrophobicContact CB-CG 4.38Å; V168-E238 HydrophobicContact CG1-CG 3.69Å; V168-E238 HydrophobicContact CG2-CG 3.68Å
169G98.4Very high97.8Very high42 Ų4231.4 Ų31.443%0.43317%0.171SC..EExtended strand (participates in β ladder)trans79.7-8.2-17700000114.6R167 R236R167-G169 PolarHBondContact O-N 3.09Å; G169-R236 PolarHBondContact N-O 2.89Å
170G98.6Very high97.7Very high4 Ų435.4 Ų35.44%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-62.4153173.400000112.1S133 R167 V168 R235 R236S133-G170 CarbonylContact O-C 3.58Å; S133-G170 WeakPolarHBondContact O-CA 3.39Å; R167-G170 WeakPolarHBondContact O-CA 3.3Å; R167-G170 PolarHBondContact O-N 2.7Å; V168-G170 PolarHBondContact O-N 2.98Å; G170-R235 WeakPolarHBondContact O-CA 3.35Å; G170-R236 PolarHBondContact O-N 3.03Å
171L98.8Very high97.6Very high22 Ų2233.2 Ų33.212%0.11517%0.171CC..EExtended strand (participates in β ladder)trans-114.9137.4-172.9-63.9-179.8000112.1S133 K134 M135 Y173 V198 V233 F234 R235S133-L171 PolarHBondContact O-N 3.3Å; K134-L171 CarbonylContact C-O 3.44Å; K134-L171 VanDerWaalsContact CA-O 3.3Å; K134-L171 WeakPolarHBondContact CA-O 3.49Å; M135-L171 PolarHBondContact N-O 3.37Å; L171-Y173 HydrophobicContact CB-CD2 4.32Å; L171-Y173 HydrophobicContact CB-CE2 3.62Å; L171-Y173 HydrophobicContact CD1-CE2 4.46Å; L171-Y173 WeakPolarHBondContact CD1-OH 3.38Å; L171-V198 HydrophobicContact CD2-CG2 3.94Å; L171-V233 HydrophobicContact CB-CG1 4.28Å; L171-V233 HydrophobicContact CD2-CG1 4.23Å; L171-F234 CarbonylContact C-O 3.52Å; L171-F234 WeakPolarHBondContact CA-O 3.4Å; L171-R235 HydrophobicContact CD2-CB 3.87Å; L171-R235 HydrophobicContact CD2-CG 4.16Å
172V98.8Very high97.6Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-106.8120.4168.8-176.60000108.7M135 F137 L166 T174 F189 F195 V233 F234M135-V172 HydrophobicContact CB-CG2 4.37Å; M135-V172 CarbonylContact O-C 3.36Å; M135-V172 WeakPolarHBondContact O-CA 3.27Å; F137-V172 HydrophobicContact CD2-CG1 3.52Å; F137-V172 HydrophobicContact CE2-CG1 3.51Å; L166-V172 HydrophobicContact CD2-CG2 3.49Å; L166-V172 VanDerWaalsContact CD2-CG2 3.49Å; V172-T174 HydrophobicContact CG1-CG2 4.11Å; V172-F189 HydrophobicContact CB-CE1 4.23Å; V172-F189 HydrophobicContact CB-CZ 4.28Å; V172-F189 HydrophobicContact CG1-CE1 4.13Å; V172-F189 HydrophobicContact CG1-CE2 4.44Å; V172-F189 HydrophobicContact CG1-CZ 3.67Å; V172-F189 HydrophobicContact CG2-CE1 4.16Å; V172-F189 HydrophobicContact CG2-CZ 4.47Å; V172-F195 HydrophobicContact CG2-CD1 4.46Å; V172-F195 HydrophobicContact CG2-CE1 3.76Å; V172-F195 HydrophobicContact CG2-CZ 4.42Å; V172-V233 CarbonylContact O-C 3.57Å; V172-V233 VanDerWaalsContact O-CA 3.27Å; V172-V233 WeakPolarHBondContact O-CA 3.37Å; V172-F234 HydrophobicContact CB-CB 4.42Å; V172-F234 PolarHBondContact N-O 3.5Å; V172-F234 PolarHBondContact O-N 2.93Å
173Y98.8Very high97.6Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-102.2122.4177.6-59.5-96.8000109.3K134 M135 F136 F137 L171 D206 I208 I209 L212 V233K134-Y173 HydrophobicContact CB-CE2 4.18Å; K134-Y173 HydrophobicContact CD-CE2 3.93Å; K134-Y173 HydrophobicContact CG-CE2 4.04Å; K134-Y173 PolarHBondContact NZ-OH 3.07Å; M135-Y173 PolarHBondContact O-N 2.99Å; F136-Y173 WeakPolarHBondContact CA-O 3.42Å; F136-Y173 AromaticContact CD1-CD2 3.67Å; F136-Y173 HydrophobicContact CD1-CD2 3.67Å; F136-Y173 AromaticContact CD1-CG 3.86Å; F136-Y173 HydrophobicContact CD1-CG 3.86Å; F136-Y173 AromaticContact CE1-CD2 3.31Å; F136-Y173 HydrophobicContact CE1-CD2 3.31Å; F136-Y173 AromaticContact CE1-CE2 3.76Å; F136-Y173 HydrophobicContact CE1-CE2 3.76Å; F136-Y173 AromaticContact CE1-CG 3.77Å; F136-Y173 HydrophobicContact CE1-CG 3.77Å; F136-Y173 HydrophobicContact CZ-CD2 4.09Å; F136-Y173 HydrophobicContact CZ-CE2 4.22Å; F137-Y173 PolarHBondContact N-O 3.5Å; L171-Y173 HydrophobicContact CB-CD2 4.32Å; L171-Y173 HydrophobicContact CB-CE2 3.62Å; L171-Y173 HydrophobicContact CD1-CE2 4.46Å; L171-Y173 WeakPolarHBondContact CD1-OH 3.38Å; Y173-D206 VanDerWaalsContact CE1-OD2 3.22Å; Y173-D206 WeakPolarHBondContact CE1-OD2 3.42Å; Y173-D206 VanDerWaalsContact CZ-OD2 3.31Å; Y173-D206 PolarHBondContact OH-OD2 2.88Å; Y173-I208 HydrophobicContact CE1-CB 4.42Å; Y173-I208 HydrophobicContact CE1-CG2 4.42Å; Y173-I208 HydrophobicContact CE2-CD1 4.43Å; Y173-I209 HydrophobicContact CD1-CD1 4.11Å; Y173-I209 HydrophobicContact CE1-CD1 4.04Å; Y173-L212 HydrophobicContact CD1-CD1 3.82Å; Y173-L212 HydrophobicContact CG-CD1 4.27Å; Y173-V233 HydrophobicContact CD1-CG1 4.17Å; Y173-V233 HydrophobicContact CD1-CG2 3.72Å; Y173-V233 HydrophobicContact CE1-CG1 4.23Å; Y173-V233 HydrophobicContact CE1-CG2 4.23Å
174T98.3Very high97.6Very high0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-119.1133.7176.8700000109.9F137 V172 M185 F189 L231 A232 F234F137-T174 HydrophobicContact CB-CG2 4.37Å; F137-T174 HydrophobicContact CD2-CG2 4.47Å; F137-T174 WeakPolarHBondContact O-CA 3.45Å; V172-T174 HydrophobicContact CG1-CG2 4.11Å; T174-M185 HydrophobicContact CG2-SD 4.05Å; T174-F189 HydrophobicContact CG2-CE2 4.06Å; T174-L231 WeakPolarHBondContact O-CA 3.35Å; T174-L231 WeakPolarHBondContact O-CD1 3.48Å; T174-A232 PolarHBondContact N-O 3.05Å; T174-A232 PolarHBondContact O-N 2.91Å; T174-A232 PolarHBondContact OG1-O 3.34Å; T174-F234 HydrophobicContact CG2-CD2 4.32Å; T174-F234 HydrophobicContact CG2-CE2 4.11Å
175N97.3Very high97.6Very high3 Ų334.2 Ų34.22%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-142.3139.2174.7-165.911.4000109.7F137 L138 F139 L212F137-N175 PolarHBondContact O-N 3.07Å; F137-N175 VanDerWaalsContact O-N 3.09Å; L138-N175 HydrophobicContact CD2-CB 3.85Å; F139-N175 WeakPolarHBondContact CA-O 3.5Å; F139-N175 PolarHBondContact N-O 2.99Å; N175-L212 VanDerWaalsContact ND2-C 3.34Å; N175-L212 PolarHBondContact ND2-O 2.81Å
176T96.7Very high97.6Very high1 Ų135.2 Ų35.21%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-155.9155.5178.5-177.60000110.3V178 V181 H182 M185 Y230T176-V178 WeakPolarHBondContact CG2-O 3.47Å; T176-V178 PolarHBondContact OG1-N 3.13Å; T176-V181 HydrophobicContact CG2-CB 4.2Å; T176-V181 HydrophobicContact CG2-CG1 4.29Å; T176-H182 HydrophobicContact CG2-CB 3.75Å; T176-M185 HydrophobicContact CG2-CE 3.71Å; T176-Y230 PolarHBondContact N-O 2.9Å; T176-Y230 WeakPolarHBondContact O-CD2 3.47Å; T176-Y230 PolarHBondContact O-N 3.43Å
177D94.8Very high97.5Very high81 Ų8140.5 Ų40.543%0.43321%0.208SC..SBendtrans-91.21170.960.5-34.4000113.3F139 V222 K228F139-D177 HydrophobicContact CD1-CB 4.44Å; F139-D177 HydrophobicContact CE1-CB 4.33Å; D177-V222 HydrophobicContact CB-CB 4.44Å; D177-V222 HydrophobicContact CB-CG1 4.01Å; D177-V222 HydrophobicContact CB-CG2 3.51Å; D177-K228 WeakPolarHBondContact CA-O 3.5Å
178V95.2Very high97.5Very high28 Ų2837.4 Ų37.417%0.1720%0.197CC..  trans-112.7109.1-176.9-175.80000110.3F144 T176 E180 V181 H182F144-V178 HydrophobicContact CE1-CG1 3.6Å; F144-V178 HydrophobicContact CZ-CG1 3.91Å; F144-V178 HydrophobicContact CZ-CG2 4.24Å; T176-V178 WeakPolarHBondContact CG2-O 3.47Å; T176-V178 PolarHBondContact OG1-N 3.13Å; V178-E180 VanDerWaalsContact C-N 3.3Å; V178-E180 HydrophobicContact CG1-CB 4.28Å; V178-E180 PolarHBondContact O-N 3.36Å; V178-V181 HydrophobicContact CB-CB 4.09Å; V178-V181 HydrophobicContact CB-CG2 3.82Å; V178-V181 HydrophobicContact CG1-CB 4.28Å; V178-V181 HydrophobicContact CG1-CG2 3.7Å; V178-V181 WeakPolarHBondContact O-CB 3.35Å; V178-V181 PolarHBondContact O-N 3.45Å; V178-H182 PolarHBondContact O-N 3.2Å
179E96.1Very high97.5Very high108 Ų10834 Ų3451%0.50518%0.177SC..Hα-helixtrans-55.8-41.3-178.6-171.5167.5-163.300113.1V181 H182 L183 Y230E179-V181 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 3.32Å; E179-H182 WeakPolarHBondContact O-CB 3.39Å; E179-H182 PolarHBondContact O-N 3.13Å; E179-H182 VanDerWaalsContact O-N 3.14Å; E179-L183 HydrophobicContact CG-CD1 4.14Å; E179-L183 HydrophobicContact CG-CG 4.35Å; E179-L183 WeakPolarHBondContact O-CG 3.19Å; E179-L183 PolarHBondContact O-N 2.65Å; E179-Y230 HydrophobicContact CB-CE1 3.97Å; E179-Y230 HydrophobicContact CB-CE2 3.96Å; E179-Y230 HydrophobicContact CG-CD1 4.47Å; E179-Y230 HydrophobicContact CG-CE1 3.86Å; E179-Y230 PolarHBondContact OE2-OH 3.19Å
180E95.9Very high97.4Very high85 Ų8535.5 Ų35.540%0.39718%0.181SC..Hα-helixtrans-59.8-38.6177.1-167.8-154.4135.300112.1R152 V178 W184R152-E180 IonicContact CZ-OE1 3.11Å; R152-E180 IonicContact NH1-OE1 3.63Å; R152-E180 IonicContact NH2-OE1 3.57Å; R152-E180 PolarHBondContact NH2-OE1 3.11Å; V178-E180 VanDerWaalsContact C-N 3.3Å; V178-E180 HydrophobicContact CG1-CB 4.28Å; V178-E180 PolarHBondContact O-N 3.36Å; E180-W184 WeakPolarHBondContact O-CB 3.23Å; E180-W184 PolarHBondContact O-N 2.93Å
181V96.4Very high97.3Very high6 Ų641.1 Ų41.14%0.03621%0.205CC..Hα-helixtrans-70.6-41.8176.9179.10000109.8P140 P142 T176 V178 E179 W184 M185P140-V181 HydrophobicContact CG-CG1 4.17Å; P142-V181 HydrophobicContact CB-CG2 3.46Å; P142-V181 VanDerWaalsContact CB-CG2 3.46Å; T176-V181 HydrophobicContact CG2-CB 4.2Å; T176-V181 HydrophobicContact CG2-CG1 4.29Å; V178-V181 HydrophobicContact CB-CB 4.09Å; V178-V181 HydrophobicContact CB-CG2 3.82Å; V178-V181 HydrophobicContact CG1-CB 4.28Å; V178-V181 HydrophobicContact CG1-CG2 3.7Å; V178-V181 WeakPolarHBondContact O-CB 3.35Å; V178-V181 PolarHBondContact O-N 3.45Å; E179-V181 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 3.32Å; V181-W184 WeakPolarHBondContact O-CB 3.35Å; V181-W184 PolarHBondContact O-N 3.34Å; V181-M185 HydrophobicContact CG1-CE 4.16Å; V181-M185 HydrophobicContact CG1-CG 4.39Å; V181-M185 HydrophobicContact CG1-SD 4.33Å; V181-M185 VanDerWaalsContact O-CG 3.28Å; V181-M185 WeakPolarHBondContact O-CG 3.43Å; V181-M185 PolarHBondContact O-N 3.08Å
182H97.8Very high97.3Very high21 Ų2141.7 Ų41.710%0.09721%0.208CC..Hα-helixtrans-57.2-51.9174.817381000111.8T176 V178 E179 W184 M185 V186 Y230 L231T176-H182 HydrophobicContact CG2-CB 3.75Å; V178-H182 PolarHBondContact O-N 3.2Å; E179-H182 WeakPolarHBondContact O-CB 3.39Å; E179-H182 PolarHBondContact O-N 3.13Å; E179-H182 VanDerWaalsContact O-N 3.14Å; H182-W184 VanDerWaalsContact C-N 3.27Å; H182-W184 PolarHBondContact O-N 3.41Å; H182-M185 PolarHBondContact O-N 3.1Å; H182-M185 VanDerWaalsContact O-N 3.13Å; H182-V186 WeakPolarHBondContact O-CG2 3.4Å; H182-V186 PolarHBondContact O-N 2.98Å; H182-Y230 HydrophobicContact CB-CG 4.14Å; H182-Y230 VanDerWaalsContact CG-CB 3.5Å; H182-Y230 PolarHBondContact ND1-O 2.86Å; H182-L231 PolarHBondContact CE1-O 3.42Å
183L97.7Very high97.1Very high101 Ų10147.9 Ų47.953%0.52924%0.24SC..Hα-helixtrans-60.8-37.7178.1-66.7174.7000111.5E179 K187E179-L183 HydrophobicContact CG-CD1 4.14Å; E179-L183 HydrophobicContact CG-CG 4.35Å; E179-L183 WeakPolarHBondContact O-CG 3.19Å; E179-L183 PolarHBondContact O-N 2.65Å; L183-K187 VanDerWaalsContact O-CB 3.23Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.32Å
184W97.3Very high97.1Very high60 Ų6049.5 Ų49.523%0.22725%0.248CC..Hα-helixtrans-61-48.4173.2-177.6-79.8000111.9H149 I154 E180 V181 H182 K187 H188H149-W184 HydrophobicContact CB-CH2 3.79Å; H149-W184 HydrophobicContact CB-CZ2 4.17Å; H149-W184 AromaticContact CE1-CZ3 3.83Å; H149-W184 AromaticContact CG-CH2 3.85Å; H149-W184 AromaticContact ND1-CH2 3.34Å; H149-W184 VanDerWaalsContact ND1-CH2 3.34Å; H149-W184 WeakPolarHBondContact ND1-CH2 3.33Å; H149-W184 AromaticContact ND1-CZ3 3.25Å; H149-W184 WeakPolarHBondContact ND1-CZ3 3.49Å; I154-W184 PolarHBondContact O-NE1 2.91Å; E180-W184 WeakPolarHBondContact O-CB 3.23Å; E180-W184 PolarHBondContact O-N 2.93Å; V181-W184 WeakPolarHBondContact O-CB 3.35Å; V181-W184 PolarHBondContact O-N 3.34Å; H182-W184 VanDerWaalsContact C-N 3.27Å; H182-W184 PolarHBondContact O-N 3.41Å; W184-K187 PolarHBondContact O-N 2.91Å; W184-H188 AromaticContact CD1-CE1 3.81Å; W184-H188 AromaticContact CD1-ND1 3.52Å; W184-H188 AromaticContact CD2-CE1 3.4Å; W184-H188 AromaticContact CD2-ND1 3.84Å; W184-H188 AromaticContact CE2-CE1 3.15Å; W184-H188 AromaticContact CE2-ND1 3.7Å; W184-H188 AromaticContact CE2-NE2 3.88Å; W184-H188 AromaticContact CE3-CE1 3.91Å; W184-H188 AromaticContact CG-CE1 3.86Å; W184-H188 AromaticContact CG-ND1 3.79Å; W184-H188 AromaticContact CZ2-CE1 3.5Å; W184-H188 AromaticContact CZ2-NE2 3.84Å; W184-H188 AromaticContact NE1-CE1 3.38Å; W184-H188 PolarHBondContact NE1-CE1 2.9Å; W184-H188 AromaticContact NE1-ND1 3.44Å; W184-H188 PolarHBondContact NE1-ND1 3.14Å; W184-H188 PolarHBondContact O-N 3.03Å; W184-H188 VanDerWaalsContact O-N 3.17Å; W184-H188 PolarHBondContact O-ND1 3.3Å
185M98.1Very high97.1Very high2 Ų249.8 Ų49.81%0.0125%0.25CC..Hα-helixtrans-62.6-50.5179-63.9-172.3-65.400110.6P140 I154 T174 T176 V181 H182 K187 H188 F189P140-M185 HydrophobicContact CG-SD 4.11Å; I154-M185 HydrophobicContact CB-CG 4.28Å; I154-M185 HydrophobicContact CG1-CB 4.44Å; I154-M185 HydrophobicContact CG1-CG 3.72Å; I154-M185 HydrophobicContact CG1-SD 4.09Å; T174-M185 HydrophobicContact CG2-SD 4.05Å; T176-M185 HydrophobicContact CG2-CE 3.71Å; V181-M185 HydrophobicContact CG1-CE 4.16Å; V181-M185 HydrophobicContact CG1-CG 4.39Å; V181-M185 HydrophobicContact CG1-SD 4.33Å; V181-M185 VanDerWaalsContact O-CG 3.28Å; V181-M185 WeakPolarHBondContact O-CG 3.43Å; V181-M185 PolarHBondContact O-N 3.08Å; H182-M185 PolarHBondContact O-N 3.1Å; H182-M185 VanDerWaalsContact O-N 3.13Å; M185-K187 VanDerWaalsContact C-N 3.32Å; M185-K187 PolarHBondContact O-N 3.38Å; M185-H188 PolarHBondContact O-N 3.14Å; M185-F189 HydrophobicContact CB-CD2 4.48Å; M185-F189 VanDerWaalsContact O-CD2 3.3Å; M185-F189 WeakPolarHBondContact O-CD2 3.36Å; M185-F189 PolarHBondContact O-N 3.48Å
186V98.2Very high97.2Very high21 Ų2153.1 Ų53.113%0.12727%0.27CS..Hα-helixtrans-55.7-47178.5172.70000111.3H182 S190 A232 F234H182-V186 WeakPolarHBondContact O-CG2 3.4Å; H182-V186 PolarHBondContact O-N 2.98Å; V186-S190 VanDerWaalsContact O-CB 3.24Å; V186-S190 WeakPolarHBondContact O-CB 3.39Å; V186-S190 PolarHBondContact O-N 3.34Å; V186-S190 PolarHBondContact O-OG 2.92Å; V186-A232 HydrophobicContact CG2-CB 3.96Å; V186-F234 HydrophobicContact CB-CZ 4.47Å; V186-F234 HydrophobicContact CG2-CZ 4.08Å
187K97.8Very high97.2Very high110 Ų11058.1 Ų58.148%0.47829%0.289SS..Hα-helixtrans-55.5-57178.3-179.4-170.9171.7-164.90111.4L183 W184 M185 F189 S190 E191L183-K187 VanDerWaalsContact O-CB 3.23Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.32Å; W184-K187 PolarHBondContact O-N 2.91Å; M185-K187 VanDerWaalsContact C-N 3.32Å; M185-K187 PolarHBondContact O-N 3.38Å; K187-F189 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-N 3.36Å; K187-E191 VanDerWaalsContact CE-CD 3.49Å; K187-E191 WeakPolarHBondContact CE-OE1 3.28Å; K187-E191 WeakPolarHBondContact CE-OE2 3.29Å; K187-E191 IonicContact NZ-OE1 3.62Å; K187-E191 WeakPolarHBondContact O-CG 3.31Å; K187-E191 PolarHBondContact O-N 3.14Å
188H98.2Very high97.4Very high19 Ų1954.3 Ų54.39%0.08827%0.269CS..Hα-helixtrans-69.1-36.3-172.7-67.984.7000112.7I154 L159 W184 M185 E191 H192I154-H188 HydrophobicContact CG2-CB 3.93Å; L159-H188 HydrophobicContact CD1-CB 3.86Å; L159-H188 VanDerWaalsContact CD1-O 3.23Å; L159-H188 WeakPolarHBondContact CD1-O 3.41Å; W184-H188 AromaticContact CD1-CE1 3.81Å; W184-H188 AromaticContact CD1-ND1 3.52Å; W184-H188 AromaticContact CD2-CE1 3.4Å; W184-H188 AromaticContact CD2-ND1 3.84Å; W184-H188 AromaticContact CE2-CE1 3.15Å; W184-H188 AromaticContact CE2-ND1 3.7Å; W184-H188 AromaticContact CE2-NE2 3.88Å; W184-H188 AromaticContact CE3-CE1 3.91Å; W184-H188 AromaticContact CG-CE1 3.86Å; W184-H188 AromaticContact CG-ND1 3.79Å; W184-H188 AromaticContact CZ2-CE1 3.5Å; W184-H188 AromaticContact CZ2-NE2 3.84Å; W184-H188 AromaticContact NE1-CE1 3.38Å; W184-H188 PolarHBondContact NE1-CE1 2.9Å; W184-H188 AromaticContact NE1-ND1 3.44Å; W184-H188 PolarHBondContact NE1-ND1 3.14Å; W184-H188 PolarHBondContact O-N 3.03Å; W184-H188 VanDerWaalsContact O-N 3.17Å; W184-H188 PolarHBondContact O-ND1 3.3Å; M185-H188 PolarHBondContact O-N 3.14Å; H188-E191 PolarHBondContact O-N 3Å; H188-H192 WeakPolarHBondContact O-CB 3.33Å; H188-H192 PolarHBondContact O-N 3.44Å
189F98.3Very high97.5Very high1 Ų156.1 Ų56.10%0.00428%0.281CS..Hα-helixtrans-65.9-39.2172.8-86.2-76.7000112I154 L159 V172 T174 M185 K187 E191 H192 F195 F234I154-F189 HydrophobicContact CD1-CE2 3.73Å; I154-F189 HydrophobicContact CD1-CZ 4.04Å; I154-F189 HydrophobicContact CG1-CE2 4.13Å; I154-F189 HydrophobicContact CG2-CD2 4.25Å; I154-F189 HydrophobicContact CG2-CE2 4.04Å; L159-F189 HydrophobicContact CD2-CD1 3.54Å; L159-F189 HydrophobicContact CD2-CD2 4.2Å; L159-F189 HydrophobicContact CD2-CE1 3.2Å; L159-F189 HydrophobicContact CD2-CE2 3.9Å; L159-F189 HydrophobicContact CD2-CG 4.02Å; L159-F189 HydrophobicContact CD2-CZ 3.37Å; V172-F189 HydrophobicContact CB-CE1 4.23Å; V172-F189 HydrophobicContact CB-CZ 4.28Å; V172-F189 HydrophobicContact CG1-CE1 4.13Å; V172-F189 HydrophobicContact CG1-CE2 4.44Å; V172-F189 HydrophobicContact CG1-CZ 3.67Å; V172-F189 HydrophobicContact CG2-CE1 4.16Å; V172-F189 HydrophobicContact CG2-CZ 4.47Å; T174-F189 HydrophobicContact CG2-CE2 4.06Å; M185-F189 HydrophobicContact CB-CD2 4.48Å; M185-F189 VanDerWaalsContact O-CD2 3.3Å; M185-F189 WeakPolarHBondContact O-CD2 3.36Å; M185-F189 PolarHBondContact O-N 3.48Å; K187-F189 PolarHBondContact O-N 3.31Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.22Å; F189-H192 PolarHBondContact O-N 3.1Å; F189-F195 HydrophobicContact CD1-CB 3.93Å; F189-F195 HydrophobicContact CD1-CD1 4.04Å; F189-F195 AromaticContact CD1-CD2 3.85Å; F189-F195 HydrophobicContact CD1-CD2 3.85Å; F189-F195 HydrophobicContact CD1-CE2 4.37Å; F189-F195 AromaticContact CD1-CG 3.67Å; F189-F195 HydrophobicContact CD1-CG 3.67Å; F189-F195 HydrophobicContact CE1-CD1 4.06Å; F189-F195 HydrophobicContact CE1-CD2 4.07Å; F189-F195 HydrophobicContact CE1-CE1 4.11Å; F189-F195 HydrophobicContact CE1-CE2 4.13Å; F189-F195 HydrophobicContact CE1-CG 4.04Å; F189-F195 HydrophobicContact CE1-CZ 4.16Å; F189-F234 HydrophobicContact CB-CD1 3.42Å; F189-F234 VanDerWaalsContact CB-CD1 3.42Å; F189-F234 HydrophobicContact CB-CD2 4.03Å; F189-F234 HydrophobicContact CB-CE1 3.38Å; F189-F234 HydrophobicContact CB-CE2 4.01Å; F189-F234 HydrophobicContact CB-CG 3.76Å; F189-F234 HydrophobicContact CB-CZ 3.7Å; F189-F234 HydrophobicContact CD1-CB 3.91Å; F189-F234 HydrophobicContact CD1-CD1 4.24Å; F189-F234 AromaticContact CD1-CD2 3.91Å; F189-F234 HydrophobicContact CD1-CD2 3.91Å; F189-F234 AromaticContact CD1-CG 3.74Å; F189-F234 HydrophobicContact CD1-CG 3.74Å; F189-F234 AromaticContact CD2-CD2 3.68Å; F189-F234 HydrophobicContact CD2-CD2 3.68Å; F189-F234 AromaticContact CD2-CE2 3.58Å; F189-F234 HydrophobicContact CD2-CE2 3.58Å; F189-F234 HydrophobicContact CD2-CG 4.23Å; F189-F234 HydrophobicContact CD2-CZ 4.04Å; F189-F234 HydrophobicContact CE1-CB 4.35Å; F189-F234 HydrophobicContact CE1-CD2 4.3Å; F189-F234 HydrophobicContact CE1-CG 4.41Å; F189-F234 HydrophobicContact CE2-CD2 4.11Å; F189-F234 HydrophobicContact CE2-CE2 4.21Å; F189-F234 HydrophobicContact CG-CB 4.34Å; F189-F234 AromaticContact CG-CD1 3.89Å; F189-F234 HydrophobicContact CG-CD1 3.89Å; F189-F234 AromaticContact CG-CD2 3.61Å; F189-F234 HydrophobicContact CG-CD2 3.61Å; F189-F234 HydrophobicContact CG-CE1 4.07Å; F189-F234 AromaticContact CG-CE2 3.81Å; F189-F234 HydrophobicContact CG-CE2 3.81Å; F189-F234 AromaticContact CG-CG 3.66Å; F189-F234 HydrophobicContact CG-CG 3.66Å; F189-F234 HydrophobicContact CG-CZ 4.04Å; F189-F234 HydrophobicContact CZ-CD2 4.41Å
190S96.8Very high97.4Very high73 Ų7356.4 Ų56.451%0.5129%0.286SS..Hα-helixtrans-70.6-28.5179.3-53.50000112.7V186 K187 H192V186-S190 VanDerWaalsContact O-CB 3.24Å; V186-S190 WeakPolarHBondContact O-CB 3.39Å; V186-S190 PolarHBondContact O-N 3.34Å; V186-S190 PolarHBondContact O-OG 2.92Å; K187-S190 PolarHBondContact O-N 3.36Å; S190-H192 VanDerWaalsContact C-N 3.35Å
191E96.9Very high97.3Very high121 Ų12156.4 Ų56.457%0.56530%0.301SS*.Hα-helixtrans-79.8-15.3176.1-73172.8170.900113K187 H188 F189K187-E191 VanDerWaalsContact CE-CD 3.49Å; K187-E191 WeakPolarHBondContact CE-OE1 3.28Å; K187-E191 WeakPolarHBondContact CE-OE2 3.29Å; K187-E191 IonicContact NZ-OE1 3.62Å; K187-E191 WeakPolarHBondContact O-CG 3.31Å; K187-E191 PolarHBondContact O-N 3.14Å; H188-E191 PolarHBondContact O-N 3Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.22Å
192H97.1Very high97.3Very high35 Ų3561.3 Ų61.316%0.16232%0.323CS..SBendtrans-94.6119.1-176.7-169-73.1000111.7L159 H188 F189 S190 L194 F195L159-H192 VanDerWaalsContact CB-CD2 3.47Å; L159-H192 WeakPolarHBondContact CB-CD2 3.39Å; L159-H192 HydrophobicContact CD1-CB 3.98Å; H188-H192 WeakPolarHBondContact O-CB 3.33Å; H188-H192 PolarHBondContact O-N 3.44Å; F189-H192 PolarHBondContact O-N 3.1Å; S190-H192 VanDerWaalsContact C-N 3.35Å; H192-L194 PolarHBondContact ND1-N 2.9Å; H192-L194 PolarHBondContact O-N 2.87Å; H192-F195 HydrophobicContact CB-CD2 4.29Å; H192-F195 AromaticContact ND1-CD2 3.6Å; H192-F195 PolarHBondContact O-N 3.31Å
193L96.7Very high97.1Very high130 Ų13060.9 Ų60.968%0.68132%0.322SS*.THydrogen-bonded Turntrans-56.9-30.4-171.5-59.6178.4000114.9F195 V237L193-F195 VanDerWaalsContact C-N 3.26Å; L193-F195 PolarHBondContact O-N 2.92Å; L193-V237 WeakPolarHBondContact O-CG2 3.48Å
194L98.1Very high96.9Very high33 Ų3361.4 Ų61.417%0.17333%0.329CS..THydrogen-bonded Turntrans-84.16.9-178.7-54.4-178.7000114.4A163 H192 R236 V237 D239A163-L194 HydrophobicContact CB-CB 3.93Å; A163-L194 HydrophobicContact CB-CD1 3.66Å; A163-L194 HydrophobicContact CB-CG 4.45Å; H192-L194 PolarHBondContact ND1-N 2.9Å; H192-L194 PolarHBondContact O-N 2.87Å; L194-R236 CarbonylContact O-C 3.5Å; L194-R236 VanDerWaalsContact O-CA 3.31Å; L194-R236 WeakPolarHBondContact O-CA 3.47Å; L194-V237 PolarHBondContact O-N 3.24Å; L194-D239 HydrophobicContact CD2-CB 3.69Å
195F98.4Very high96.7Very high7 Ų766 Ų663%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-130.1146.5176.8-68.6-74.4000112.3L159 A163 L166 V172 F189 H192 L193 F234 R235 R236L159-F195 HydrophobicContact CB-CE2 4.33Å; L159-F195 HydrophobicContact CD2-CD2 4.33Å; L159-F195 HydrophobicContact CD2-CE2 4.09Å; A163-F195 HydrophobicContact CB-CE2 3.85Å; A163-F195 HydrophobicContact CB-CZ 3.95Å; L166-F195 HydrophobicContact CD2-CE1 4.05Å; V172-F195 HydrophobicContact CG2-CD1 4.46Å; V172-F195 HydrophobicContact CG2-CE1 3.76Å; V172-F195 HydrophobicContact CG2-CZ 4.42Å; F189-F195 HydrophobicContact CD1-CB 3.93Å; F189-F195 HydrophobicContact CD1-CD1 4.04Å; F189-F195 AromaticContact CD1-CD2 3.85Å; F189-F195 HydrophobicContact CD1-CD2 3.85Å; F189-F195 HydrophobicContact CD1-CE2 4.37Å; F189-F195 AromaticContact CD1-CG 3.67Å; F189-F195 HydrophobicContact CD1-CG 3.67Å; F189-F195 HydrophobicContact CE1-CD1 4.06Å; F189-F195 HydrophobicContact CE1-CD2 4.07Å; F189-F195 HydrophobicContact CE1-CE1 4.11Å; F189-F195 HydrophobicContact CE1-CE2 4.13Å; F189-F195 HydrophobicContact CE1-CG 4.04Å; F189-F195 HydrophobicContact CE1-CZ 4.16Å; H192-F195 HydrophobicContact CB-CD2 4.29Å; H192-F195 AromaticContact ND1-CD2 3.6Å; H192-F195 PolarHBondContact O-N 3.31Å; L193-F195 VanDerWaalsContact C-N 3.26Å; L193-F195 PolarHBondContact O-N 2.92Å; F195-F234 HydrophobicContact CD1-CB 4.33Å; F195-R235 CarbonylContact C-O 3.3Å; F195-R235 VanDerWaalsContact CA-O 3.32Å; F195-R235 WeakPolarHBondContact CA-O 3.24Å; F195-R236 HydrophobicContact CD1-CB 4.27Å; F195-R236 HydrophobicContact CE1-CB 3.92Å; F195-R236 HydrophobicContact CE1-CG 4.24Å
196T98.1Very high96.6Very high73 Ų7367.3 Ų67.345%0.44837%0.365SS..EExtended strand (participates in β ladder)trans-135.6138.2172.2-55.90000109.3V198 F234 R235T196-V198 PolarHBondContact O-N 2.99Å; T196-F234 CarbonylContact O-C 3.59Å; T196-F234 WeakPolarHBondContact O-CA 3.38Å; T196-R235 PolarHBondContact N-O 2.99Å; T196-R235 PolarHBondContact O-N 2.77Å
197R98.3Very high96.5Very high105 Ų10569.4 Ų69.440%0.39638%0.377SS..EExtended strand (participates in β ladder)trans-66.2132.4176.9-172166.5-179.6-177.40.6110F234R197-F234 HydrophobicContact CB-CD1 4.03Å; R197-F234 HydrophobicContact CB-CE1 4Å; R197-F234 HydrophobicContact CG-CD1 4.37Å; R197-F234 HydrophobicContact CG-CE1 4.1Å
198V98.3Very high96.4Very high1 Ų164.1 Ų64.11%0.00636%0.355CS..PPolyproline II helixtrans-84.2125.8174.3-173.80000108.5L171 T196 E202 L203 V233 R235L171-V198 HydrophobicContact CD2-CG2 3.94Å; T196-V198 PolarHBondContact O-N 2.99Å; V198-E202 HydrophobicContact CG1-CB 3.78Å; V198-L203 HydrophobicContact CB-CD2 4.21Å; V198-L203 HydrophobicContact CB-CG 4.46Å; V198-L203 HydrophobicContact CG1-CD1 4.43Å; V198-L203 HydrophobicContact CG1-CD2 3.64Å; V198-L203 HydrophobicContact CG1-CG 3.86Å; V198-V233 HydrophobicContact CB-CB 4.31Å; V198-V233 HydrophobicContact CB-CG1 4.33Å; V198-V233 HydrophobicContact CG2-CG1 4.11Å; V198-V233 PolarHBondContact N-O 2.98Å; V198-R235 HydrophobicContact CG2-CB 3.76Å
199P96.8Very high96.3Very high67 Ų6765.2 Ų65.244%0.43536%0.36SS..PPolyproline II helixtrans-63.7145.3174.5-20.532.4000112A201 E202P199-A201 PolarHBondContact O-N 3.05Å; P199-A201 VanDerWaalsContact O-N 3.1Å; P199-E202 WeakPolarHBondContact CD-OE1 3.26Å; P199-E202 PolarHBondContact O-N 2.89Å
200D93.4Very high96Very high113 Ų11368.8 Ų68.860%0.60439%0.385SS*.G310 helixtrans-57.7-30.1-179.6-63-6.6000112.7E202 L203D200-E202 VanDerWaalsContact C-N 3.28Å; D200-E202 PolarHBondContact O-N 3.5Å; D200-L203 PolarHBondContact O-N 3.44Å; D200-L203 VanDerWaalsContact O-N 3.07Å
201A94.9Very high95.8Very high85 Ų8569.4 Ų69.470%0.70238%0.377SS*.G310 helixtrans-63-29.9176.200000113.5P199 L203P199-A201 PolarHBondContact O-N 3.05Å; P199-A201 VanDerWaalsContact O-N 3.1Å; A201-L203 VanDerWaalsContact C-N 3.3Å
202E95.5Very high95.5Very high110 Ų11063.7 Ų63.751%0.51435%0.35SS..G310 helixtrans-80.8-12.7175.7-69.1180-137.600112.5V198 P199 D200 R235V198-E202 HydrophobicContact CG1-CB 3.78Å; P199-E202 WeakPolarHBondContact CD-OE1 3.26Å; P199-E202 PolarHBondContact O-N 2.89Å; D200-E202 VanDerWaalsContact C-N 3.28Å; D200-E202 PolarHBondContact O-N 3.5Å; E202-R235 IonicContact OE2-CZ 2.77Å; E202-R235 IonicContact OE2-NH1 3.85Å; E202-R235 PolarHBondContact OE2-NH1 3.47Å; E202-R235 VanDerWaalsContact OE2-NH1 3.11Å; E202-R235 IonicContact OE2-NH2 3.05Å; E202-R235 PolarHBondContact OE2-NH2 2.94Å
203L95Very high94.9Very high12 Ų1262.5 Ų62.56%0.06335%0.348CS..SBendtrans-98.7-2.9-174-61.8175.7000113.3V198 D200 A201 D205 D206 I209 V233V198-L203 HydrophobicContact CB-CD2 4.21Å; V198-L203 HydrophobicContact CB-CG 4.46Å; V198-L203 HydrophobicContact CG1-CD1 4.43Å; V198-L203 HydrophobicContact CG1-CD2 3.64Å; V198-L203 HydrophobicContact CG1-CG 3.86Å; D200-L203 PolarHBondContact O-N 3.44Å; D200-L203 VanDerWaalsContact O-N 3.07Å; A201-L203 VanDerWaalsContact C-N 3.3Å; L203-D205 VanDerWaalsContact C-N 3.26Å; L203-D205 PolarHBondContact O-N 3.39Å; L203-D206 PolarHBondContact O-N 3.48Å; L203-D206 VanDerWaalsContact O-N 3.07Å; L203-I209 HydrophobicContact CB-CD1 4.26Å; L203-I209 HydrophobicContact CB-CG1 4.19Å; L203-I209 HydrophobicContact CD1-CD1 4.19Å; L203-I209 HydrophobicContact CD2-CD1 4.31Å; L203-I209 HydrophobicContact CG-CD1 4.5Å; L203-V233 HydrophobicContact CD1-CB 3.83Å; L203-V233 HydrophobicContact CD1-CG2 3.66Å; L203-V233 HydrophobicContact CD2-CB 4.13Å; L203-V233 HydrophobicContact CD2-CG1 4.09Å; L203-V233 HydrophobicContact CD2-CG2 4.18Å
204V92.4Very high94.5Very high112 Ų11259 Ų5968%0.67933%0.332SS*.THydrogen-bonded Turntrans-57.8-40-174.6177.10000111.9
205D93.3Very high94.1Very high156 Ų15657.7 Ų57.783%0.83433%0.325SS*.THydrogen-bonded Turntrans-91.50.1-178.5-61.2-38.7000113.3L203 V207L203-D205 VanDerWaalsContact C-N 3.26Å; L203-D205 PolarHBondContact O-N 3.39Å; D205-V207 PolarHBondContact O-N 3.24Å; D205-V207 VanDerWaalsContact O-N 3.09Å
206D95.7Very high93.7Very high29 Ų2957.8 Ų57.816%0.15533%0.326CS..  trans-78.2100.9177.5-172.4-19.3000110.3Y173 L203 I208 I209Y173-D206 VanDerWaalsContact CE1-OD2 3.22Å; Y173-D206 WeakPolarHBondContact CE1-OD2 3.42Å; Y173-D206 VanDerWaalsContact CZ-OD2 3.31Å; Y173-D206 PolarHBondContact OH-OD2 2.88Å; L203-D206 PolarHBondContact O-N 3.48Å; L203-D206 VanDerWaalsContact O-N 3.07Å; D206-I208 PolarHBondContact O-N 2.96Å; D206-I208 VanDerWaalsContact OD1-CB 3.27Å; D206-I208 WeakPolarHBondContact OD1-CB 3.29Å; D206-I208 PolarHBondContact OD1-N 3.39Å; D206-I209 HydrophobicContact CB-CG1 3.69Å; D206-I209 WeakPolarHBondContact O-CB 3.48Å; D206-I209 WeakPolarHBondContact O-CG1 3.48Å; D206-I209 PolarHBondContact O-N 3.22Å
207V96.1Very high93.3Very high65 Ų6556.8 Ų56.839%0.39432%0.316SS..THydrogen-bonded Turntrans-47.5-31.3176.852.60000113.7L75 F76 D205 I209 S210L75-V207 HydrophobicContact CD1-CG2 4.15Å; L75-V207 HydrophobicContact CD2-CG2 4.47Å; F76-V207 HydrophobicContact CE2-CG1 4.48Å; F76-V207 HydrophobicContact CZ-CG1 3.97Å; D205-V207 PolarHBondContact O-N 3.24Å; D205-V207 VanDerWaalsContact O-N 3.09Å; V207-I209 PolarHBondContact O-N 2.95Å; V207-S210 PolarHBondContact O-OG 3.07Å
208I96.8Very high92.9Very high0 Ų055.1 Ų55.10%031%0.313CS..THydrogen-bonded Turntrans-69.3-35.4-177.5-60.8166.1000111.1L72 F76 K134 F136 Y173 D206 S210 R211 L212L72-I208 HydrophobicContact CD2-CG1 4.01Å; L72-I208 HydrophobicContact CD2-CG2 4.29Å; F76-I208 HydrophobicContact CE2-CD1 3.94Å; F76-I208 HydrophobicContact CE2-CG1 3.78Å; F76-I208 HydrophobicContact CZ-CD1 3.87Å; F76-I208 HydrophobicContact CZ-CG1 3.93Å; K134-I208 HydrophobicContact CD-CD1 3.57Å; F136-I208 HydrophobicContact CE1-CD1 4.34Å; F136-I208 HydrophobicContact CE1-CG2 3.86Å; F136-I208 HydrophobicContact CZ-CD1 4.24Å; Y173-I208 HydrophobicContact CE1-CB 4.42Å; Y173-I208 HydrophobicContact CE1-CG2 4.42Å; Y173-I208 HydrophobicContact CE2-CD1 4.43Å; D206-I208 PolarHBondContact O-N 2.96Å; D206-I208 VanDerWaalsContact OD1-CB 3.27Å; D206-I208 WeakPolarHBondContact OD1-CB 3.29Å; D206-I208 PolarHBondContact OD1-N 3.39Å; I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 3.37Å; I208-R211 WeakPolarHBondContact O-CA 3.27Å; I208-R211 WeakPolarHBondContact O-CB 3.47Å; I208-R211 PolarHBondContact O-N 3.28Å; I208-L212 HydrophobicContact CG2-CD1 4.35Å; I208-L212 HydrophobicContact CG2-CD2 3.62Å; I208-L212 HydrophobicContact CG2-CG 3.94Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 3.42Å
209I95Very high92.4Very high41 Ų4155 Ų5521%0.2131%0.313CS..THydrogen-bonded Turntrans-55.2-43.4-173.4-62.3-69.3000111.4Y173 L203 D206 V207 R211 L212 L231 V233Y173-I209 HydrophobicContact CD1-CD1 4.11Å; Y173-I209 HydrophobicContact CE1-CD1 4.04Å; L203-I209 HydrophobicContact CB-CD1 4.26Å; L203-I209 HydrophobicContact CB-CG1 4.19Å; L203-I209 HydrophobicContact CD1-CD1 4.19Å; L203-I209 HydrophobicContact CD2-CD1 4.31Å; L203-I209 HydrophobicContact CG-CD1 4.5Å; D206-I209 HydrophobicContact CB-CG1 3.69Å; D206-I209 WeakPolarHBondContact O-CB 3.48Å; D206-I209 WeakPolarHBondContact O-CG1 3.48Å; D206-I209 PolarHBondContact O-N 3.22Å; V207-I209 PolarHBondContact O-N 2.95Å; I209-R211 PolarHBondContact O-N 2.99Å; I209-R211 VanDerWaalsContact O-N 3.13Å; I209-L212 HydrophobicContact CD1-CD1 4.41Å; I209-L212 PolarHBondContact O-N 2.8Å; I209-L231 HydrophobicContact CD1-CD2 3.99Å; I209-L231 HydrophobicContact CG2-CD2 3.72Å; I209-V233 HydrophobicContact CD1-CG2 3.79Å
210S92Very high92.2Very high76 Ų7655.4 Ų55.453%0.53131%0.307SS..THydrogen-bonded Turntrans-62-19.4178.1690000114.3V207 I208V207-S210 PolarHBondContact O-OG 3.07Å; I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 3.37Å
211R92.5Very high92Very high86 Ų8656 Ų5633%0.32530%0.304SS..THydrogen-bonded Turntrans-97.7-29-174.2-49.6-54.9175155.4-10.6113.2E71 I208 I209 G213 T214 C215E71-R211 HydrophobicContact CG-CB 4.11Å; E71-R211 HydrophobicContact CG-CG 4.08Å; E71-R211 WeakPolarHBondContact OE1-CD 3.46Å; E71-R211 IonicContact OE1-CZ 3.39Å; E71-R211 IonicContact OE1-NE 3.61Å; E71-R211 IonicContact OE1-NH1 2.77Å; E71-R211 PolarHBondContact OE1-NH1 2.85Å; I208-R211 WeakPolarHBondContact O-CA 3.27Å; I208-R211 WeakPolarHBondContact O-CB 3.47Å; I208-R211 PolarHBondContact O-N 3.28Å; I209-R211 PolarHBondContact O-N 2.99Å; I209-R211 VanDerWaalsContact O-N 3.13Å; R211-G213 PolarHBondContact O-N 2.57Å; R211-G213 VanDerWaalsContact O-N 3.07Å; R211-T214 PolarHBondContact O-N 3.47Å; R211-T214 PolarHBondContact O-OG1 3.24Å; R211-C215 WeakPolarHBondContact O-CB 3.4Å; R211-C215 PolarHBondContact O-N 2.84Å; R211-C215 PolarHBondContact O-SG 3.29Å
212L90.6Very high91.7Very high1 Ų152.3 Ų52.31%0.00527%0.273CS..THydrogen-bonded Turntrans-60.2-26.2-169.3-63.6178.6000114L68 F136 L138 Y173 N175 I208 I209 L231L68-L212 HydrophobicContact CD1-CD2 4.02Å; F136-L212 HydrophobicContact CD1-CD2 4.13Å; L138-L212 HydrophobicContact CD1-CD2 3.86Å; L138-L212 HydrophobicContact CD2-CD2 3.85Å; Y173-L212 HydrophobicContact CD1-CD1 3.82Å; Y173-L212 HydrophobicContact CG-CD1 4.27Å; N175-L212 VanDerWaalsContact ND2-C 3.34Å; N175-L212 PolarHBondContact ND2-O 2.81Å; I208-L212 HydrophobicContact CG2-CD1 4.35Å; I208-L212 HydrophobicContact CG2-CD2 3.62Å; I208-L212 HydrophobicContact CG2-CG 3.94Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 3.42Å; I209-L212 HydrophobicContact CD1-CD1 4.41Å; I209-L212 PolarHBondContact O-N 2.8Å; L212-L231 HydrophobicContact CD1-CD1 3.59Å
213G85.6Confident91.4Very high11 Ų1153 Ų5311%0.11328%0.276CS..THydrogen-bonded Turntrans-87.2-12.8177.900000115.1R211 G219R211-G213 PolarHBondContact O-N 2.57Å; R211-G213 VanDerWaalsContact O-N 3.07Å; G213-G219 CarbonylContact O-C 3.52Å; G213-G219 WeakPolarHBondContact O-CA 3.49Å
214T88.8Confident91.3Very high56 Ų5660.5 Ų60.534%0.34430%0.304SS..THydrogen-bonded Turntrans-133.8-15.3-163.858.40000114.4R211 K220R211-T214 PolarHBondContact O-N 3.47Å; R211-T214 PolarHBondContact O-OG1 3.24Å; T214-K220 WeakPolarHBondContact O-CE 3.21Å; T214-K220 WeakPolarHBondContact O-CG 3.5Å
215C87.8Confident91.3Very high5 Ų560.9 Ų60.93%0.03430%0.302CS..SBendtrans-81.8-30.8-178.364.10000113.5G67 L68 E71 R211G67-C215 WeakPolarHBondContact CA-O 3.13Å; L68-C215 WeakPolarHBondContact CD1-SG 2.91Å; E71-C215 HydrophobicContact CB-CB 3.81Å; E71-C215 HydrophobicContact CG-CB 3.91Å; R211-C215 WeakPolarHBondContact O-CB 3.4Å; R211-C215 PolarHBondContact O-N 2.84Å; R211-C215 PolarHBondContact O-SG 3.29Å
216T91.3Very high91.1Very high9 Ų956.7 Ų56.76%0.05530%0.296CS..SBendtrans-86.4160.6179.869.20000112.1L68 L138 F139 E218 G219 K220L68-T216 HydrophobicContact CB-CG2 4.34Å; L138-T216 HydrophobicContact CB-CG2 4.32Å; L138-T216 HydrophobicContact CD1-CG2 3.75Å; F139-T216 WeakPolarHBondContact CD2-OG1 3.36Å; F139-T216 WeakPolarHBondContact CE2-OG1 3.29Å; T216-E218 VanDerWaalsContact C-N 3.33Å; T216-G219 PolarHBondContact O-N 3.15Å; T216-G219 PolarHBondContact OG1-N 3.11Å; T216-K220 VanDerWaalsContact O-CG 3.25Å; T216-K220 WeakPolarHBondContact O-CG 3.15Å; T216-K220 PolarHBondContact O-N 2.92Å
217E88.9Confident90.7Very high52 Ų5257.3 Ų57.324%0.24331%0.309CS..Hα-helixtrans-67.3-39178.4-66.1-62.7140.200111.9K8 Y65 K221K8-E217 IonicContact NZ-OE1 2.77Å; K8-E217 PolarHBondContact NZ-OE1 2.92Å; K8-E217 IonicContact NZ-OE2 2.81Å; K8-E217 PolarHBondContact NZ-OE2 3.47Å; Y65-E217 HydrophobicContact CD2-CG 4.36Å; E217-K221 WeakPolarHBondContact O-CB 3.48Å; E217-K221 PolarHBondContact O-N 3.14Å
218E89.4Confident90.5Very high70 Ų7061.4 Ų61.433%0.32732%0.322SS..Hα-helixtrans-61.4-49.1174.6-70.669.2-15700110.2F139 T216 K220 K221 V222F139-E218 HydrophobicContact CB-CB 3.67Å; F139-E218 HydrophobicContact CB-CG 4.03Å; F139-E218 HydrophobicContact CD1-CB 4.13Å; F139-E218 HydrophobicContact CD2-CB 3.72Å; F139-E218 HydrophobicContact CE2-CB 4.44Å; F139-E218 HydrophobicContact CG-CB 3.55Å; F139-E218 HydrophobicContact CG-CG 4.45Å; T216-E218 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 3Å; E218-K221 WeakPolarHBondContact O-CB 3.35Å; E218-K221 PolarHBondContact O-N 3.12Å; E218-K221 VanDerWaalsContact O-N 3.11Å; E218-V222 VanDerWaalsContact O-CG2 3.29Å; E218-V222 WeakPolarHBondContact O-CG2 3.29Å; E218-V222 PolarHBondContact O-N 3Å
219G89.3Confident90.3Very high0 Ų064.4 Ų64.40%034%0.338CS..Hα-helixtrans-60.4-47176.300000113G213 T216 K221 V222 Q223G213-G219 CarbonylContact O-C 3.52Å; G213-G219 WeakPolarHBondContact O-CA 3.49Å; T216-G219 PolarHBondContact O-N 3.15Å; T216-G219 PolarHBondContact OG1-N 3.11Å; G219-K221 VanDerWaalsContact C-N 3.25Å; G219-K221 PolarHBondContact O-N 3.38Å; G219-V222 PolarHBondContact O-N 2.97Å; G219-V222 VanDerWaalsContact O-N 3.15Å; G219-Q223 PolarHBondContact O-N 3.46Å
220K91.5Very high90.3Very high74 Ų7465 Ų6532%0.32234%0.338SS..Hα-helixtrans-58.3-37.6174-69.9171.8-170.6174.70112.1T214 T216 E218 R224T214-K220 WeakPolarHBondContact O-CE 3.21Å; T214-K220 WeakPolarHBondContact O-CG 3.5Å; T216-K220 VanDerWaalsContact O-CG 3.25Å; T216-K220 WeakPolarHBondContact O-CG 3.15Å; T216-K220 PolarHBondContact O-N 2.92Å; E218-K220 PolarHBondContact O-N 3Å; K220-R224 WeakPolarHBondContact O-CG 3.33Å; K220-R224 PolarHBondContact O-N 3.34Å
221K89.6Confident90.5Very high125 Ų12563.9 Ų63.954%0.54333%0.326SS..Hα-helixtrans-66.9-43.9176.9179.7-170171.7-165.20111.2E217 E218 G219 R224 N225E217-K221 WeakPolarHBondContact O-CB 3.48Å; E217-K221 PolarHBondContact O-N 3.14Å; E218-K221 WeakPolarHBondContact O-CB 3.35Å; E218-K221 PolarHBondContact O-N 3.12Å; E218-K221 VanDerWaalsContact O-N 3.11Å; G219-K221 VanDerWaalsContact C-N 3.25Å; G219-K221 PolarHBondContact O-N 3.38Å; K221-R224 PolarHBondContact O-N 3.16Å; K221-N225 WeakPolarHBondContact O-CB 3.25Å; K221-N225 VanDerWaalsContact O-CG 3.29Å; K221-N225 PolarHBondContact O-N 3.11Å; K221-N225 VanDerWaalsContact O-N 3.12Å
222V89.6Confident90.8Very high8 Ų859.9 Ų59.95%0.04831%0.311CS..Hα-helixtrans-61.1-46.5177.81760000110.2F139 D177 E218 G219 R224 N225 G226 G227 N229F139-V222 HydrophobicContact CD1-CG2 4.45Å; F139-V222 HydrophobicContact CE1-CG2 3.98Å; D177-V222 HydrophobicContact CB-CB 4.44Å; D177-V222 HydrophobicContact CB-CG1 4.01Å; D177-V222 HydrophobicContact CB-CG2 3.51Å; E218-V222 VanDerWaalsContact O-CG2 3.29Å; E218-V222 WeakPolarHBondContact O-CG2 3.29Å; E218-V222 PolarHBondContact O-N 3Å; G219-V222 PolarHBondContact O-N 2.97Å; G219-V222 VanDerWaalsContact O-N 3.15Å; V222-R224 PolarHBondContact O-N 3.47Å; V222-N225 CarbonylContact O-C 3.59Å; V222-N225 PolarHBondContact O-N 2.92Å; V222-N225 VanDerWaalsContact O-N 3.11Å; V222-G226 PolarHBondContact O-N 3.31Å; V222-G226 VanDerWaalsContact O-N 3.16Å; V222-G227 PolarHBondContact O-N 3.46Å; V222-N229 WeakPolarHBondContact CG1-OD1 3.41Å
223Q89.2Confident91.2Very high124 Ų12459.9 Ų59.958%0.57931%0.311SS*.Hα-helixtrans-60.4-45.9177.3-170.5-178.713.400112.4G219 N225 G226G219-Q223 PolarHBondContact O-N 3.46Å; Q223-N225 PolarHBondContact O-N 3.04Å; Q223-G226 PolarHBondContact O-N 3.36Å; Q223-G226 VanDerWaalsContact O-N 3.08Å
224R91.4Very high91.8Very high171 Ų17159.4 Ų59.465%0.64531%0.306SS*.Hα-helixtrans-59.2-31.3176.2-77.7-170.2-58.4-101.1-1113K220 K221 V222K220-R224 WeakPolarHBondContact O-CG 3.33Å; K220-R224 PolarHBondContact O-N 3.34Å; K221-R224 PolarHBondContact O-N 3.16Å; V222-R224 PolarHBondContact O-N 3.47Å
225N91.9Very high92.3Very high119 Ų11960.4 Ų60.464%0.63630%0.303SS*.THydrogen-bonded Turntrans-912.6-179.2-67-6.6000113K221 V222 Q223 G227K221-N225 WeakPolarHBondContact O-CB 3.25Å; K221-N225 VanDerWaalsContact O-CG 3.29Å; K221-N225 PolarHBondContact O-N 3.11Å; K221-N225 VanDerWaalsContact O-N 3.12Å; V222-N225 CarbonylContact O-C 3.59Å; V222-N225 PolarHBondContact O-N 2.92Å; V222-N225 VanDerWaalsContact O-N 3.11Å; Q223-N225 PolarHBondContact O-N 3.04Å; N225-G227 PolarHBondContact O-N 2.67Å
226G89.1Confident92.8Very high69 Ų6961.5 Ų61.571%0.71131%0.306SS*.THydrogen-bonded Turntrans64.822.5-175.500000113.8V222 Q223V222-G226 PolarHBondContact O-N 3.31Å; V222-G226 VanDerWaalsContact O-N 3.16Å; Q223-G226 PolarHBondContact O-N 3.36Å; Q223-G226 VanDerWaalsContact O-N 3.08Å
227G88.3Confident93.1Very high41 Ų4162.6 Ų62.642%0.42331%0.313SS..  trans-75.2160.7178.900000112.5V222 N225V222-G227 PolarHBondContact O-N 3.46Å; N225-G227 PolarHBondContact O-N 2.67Å
228K90.9Very high93.4Very high152 Ų15266.3 Ų66.366%0.66133%0.33SS*.  trans-89.7144.5176.1-68-179.2178.8179.90110.3D177 Y230D177-K228 WeakPolarHBondContact CA-O 3.5Å; K228-Y230 HydrophobicContact CB-CE2 4.17Å
229N92.8Very high93.4Very high63 Ų6367.4 Ų67.434%0.33734%0.339SS..  trans-106.6137.2169.7-74.1-32.8000109.2F139 V222F139-N229 WeakPolarHBondContact CE1-OD1 3.32Å; V222-N229 WeakPolarHBondContact CG1-OD1 3.41Å
230Y96.1Very high92.9Very high53 Ų5376.2 Ų76.221%0.20838%0.38CS..EExtended strand (participates in β ladder)trans-114.596.2-180-59.8-90.9000109.4T176 E179 H182 K228T176-Y230 PolarHBondContact N-O 2.9Å; T176-Y230 WeakPolarHBondContact O-CD2 3.47Å; T176-Y230 PolarHBondContact O-N 3.43Å; E179-Y230 HydrophobicContact CB-CE1 3.97Å; E179-Y230 HydrophobicContact CB-CE2 3.96Å; E179-Y230 HydrophobicContact CG-CD1 4.47Å; E179-Y230 HydrophobicContact CG-CE1 3.86Å; E179-Y230 PolarHBondContact OE2-OH 3.19Å; H182-Y230 HydrophobicContact CB-CG 4.14Å; H182-Y230 VanDerWaalsContact CG-CB 3.5Å; H182-Y230 PolarHBondContact ND1-O 2.86Å; K228-Y230 HydrophobicContact CB-CE2 4.17Å
231L96.8Very high91.4Very high53 Ų5381.8 Ų81.828%0.27741%0.413SS..EExtended strand (participates in β ladder)trans-88.7138.5-179.6175.567.6000111T174 H182 I209 L212 V233T174-L231 WeakPolarHBondContact O-CA 3.35Å; T174-L231 WeakPolarHBondContact O-CD1 3.48Å; H182-L231 PolarHBondContact CE1-O 3.42Å; I209-L231 HydrophobicContact CD1-CD2 3.99Å; I209-L231 HydrophobicContact CG2-CD2 3.72Å; L212-L231 HydrophobicContact CD1-CD1 3.59Å; L231-V233 HydrophobicContact CD1-CG2 4.26Å
232A97.9Very high91.5Very high2 Ų279.6 Ų79.62%0.01741%0.406CS..EExtended strand (participates in β ladder)trans-144.6139.7162.300000110.4T174 V186 F234T174-A232 PolarHBondContact N-O 3.05Å; T174-A232 PolarHBondContact O-N 2.91Å; T174-A232 PolarHBondContact OG1-O 3.34Å; V186-A232 HydrophobicContact CG2-CB 3.96Å; A232-F234 HydrophobicContact CB-CE2 3.71Å; A232-F234 HydrophobicContact CB-CZ 3.72Å
233V98.7Very high91.5Very high1 Ų183.4 Ų83.41%0.00643%0.425CS..EExtended strand (participates in β ladder)trans-118.5138.4176.6-175.30000109.5L171 V172 Y173 V198 L203 I209 L231L171-V233 HydrophobicContact CB-CG1 4.28Å; L171-V233 HydrophobicContact CD2-CG1 4.23Å; V172-V233 CarbonylContact O-C 3.57Å; V172-V233 VanDerWaalsContact O-CA 3.27Å; V172-V233 WeakPolarHBondContact O-CA 3.37Å; Y173-V233 HydrophobicContact CD1-CG1 4.17Å; Y173-V233 HydrophobicContact CD1-CG2 3.72Å; Y173-V233 HydrophobicContact CE1-CG1 4.23Å; Y173-V233 HydrophobicContact CE1-CG2 4.23Å; V198-V233 HydrophobicContact CB-CB 4.31Å; V198-V233 HydrophobicContact CB-CG1 4.33Å; V198-V233 HydrophobicContact CG2-CG1 4.11Å; V198-V233 PolarHBondContact N-O 2.98Å; L203-V233 HydrophobicContact CD1-CB 3.83Å; L203-V233 HydrophobicContact CD1-CG2 3.66Å; L203-V233 HydrophobicContact CD2-CB 4.13Å; L203-V233 HydrophobicContact CD2-CG1 4.09Å; L203-V233 HydrophobicContact CD2-CG2 4.18Å; I209-V233 HydrophobicContact CD1-CG2 3.79Å; L231-V233 HydrophobicContact CD1-CG2 4.26Å
234F98.8Very high91.7Very high0 Ų081.1 Ų81.10%042%0.417CS..EExtended strand (participates in β ladder)trans-126.2139.7179.4-53.7-86.6000110.1L171 V172 T174 V186 F189 F195 T196 R197 A232L171-F234 CarbonylContact C-O 3.52Å; L171-F234 WeakPolarHBondContact CA-O 3.4Å; V172-F234 HydrophobicContact CB-CB 4.42Å; V172-F234 PolarHBondContact N-O 3.5Å; V172-F234 PolarHBondContact O-N 2.93Å; T174-F234 HydrophobicContact CG2-CD2 4.32Å; T174-F234 HydrophobicContact CG2-CE2 4.11Å; V186-F234 HydrophobicContact CB-CZ 4.47Å; V186-F234 HydrophobicContact CG2-CZ 4.08Å; F189-F234 HydrophobicContact CB-CD1 3.42Å; F189-F234 VanDerWaalsContact CB-CD1 3.42Å; F189-F234 HydrophobicContact CB-CD2 4.03Å; F189-F234 HydrophobicContact CB-CE1 3.38Å; F189-F234 HydrophobicContact CB-CE2 4.01Å; F189-F234 HydrophobicContact CB-CG 3.76Å; F189-F234 HydrophobicContact CB-CZ 3.7Å; F189-F234 HydrophobicContact CD1-CB 3.91Å; F189-F234 HydrophobicContact CD1-CD1 4.24Å; F189-F234 AromaticContact CD1-CD2 3.91Å; F189-F234 HydrophobicContact CD1-CD2 3.91Å; F189-F234 AromaticContact CD1-CG 3.74Å; F189-F234 HydrophobicContact CD1-CG 3.74Å; F189-F234 AromaticContact CD2-CD2 3.68Å; F189-F234 HydrophobicContact CD2-CD2 3.68Å; F189-F234 AromaticContact CD2-CE2 3.58Å; F189-F234 HydrophobicContact CD2-CE2 3.58Å; F189-F234 HydrophobicContact CD2-CG 4.23Å; F189-F234 HydrophobicContact CD2-CZ 4.04Å; F189-F234 HydrophobicContact CE1-CB 4.35Å; F189-F234 HydrophobicContact CE1-CD2 4.3Å; F189-F234 HydrophobicContact CE1-CG 4.41Å; F189-F234 HydrophobicContact CE2-CD2 4.11Å; F189-F234 HydrophobicContact CE2-CE2 4.21Å; F189-F234 HydrophobicContact CG-CB 4.34Å; F189-F234 AromaticContact CG-CD1 3.89Å; F189-F234 HydrophobicContact CG-CD1 3.89Å; F189-F234 AromaticContact CG-CD2 3.61Å; F189-F234 HydrophobicContact CG-CD2 3.61Å; F189-F234 HydrophobicContact CG-CE1 4.07Å; F189-F234 AromaticContact CG-CE2 3.81Å; F189-F234 HydrophobicContact CG-CE2 3.81Å; F189-F234 AromaticContact CG-CG 3.66Å; F189-F234 HydrophobicContact CG-CG 3.66Å; F189-F234 HydrophobicContact CG-CZ 4.04Å; F189-F234 HydrophobicContact CZ-CD2 4.41Å; F195-F234 HydrophobicContact CD1-CB 4.33Å; T196-F234 CarbonylContact O-C 3.59Å; T196-F234 WeakPolarHBondContact O-CA 3.38Å; R197-F234 HydrophobicContact CB-CD1 4.03Å; R197-F234 HydrophobicContact CB-CE1 4Å; R197-F234 HydrophobicContact CG-CD1 4.37Å; R197-F234 HydrophobicContact CG-CE1 4.1Å; A232-F234 HydrophobicContact CB-CE2 3.71Å; A232-F234 HydrophobicContact CB-CZ 3.72Å
235R98.7Very high91.7Very high77 Ų7775.8 Ų75.829%0.29140%0.403SS..EExtended strand (participates in β ladder)trans-100.8132.8176.1-177.3177.5-64.5125.1-0.3109.3G170 L171 F195 T196 V198 E202G170-R235 WeakPolarHBondContact O-CA 3.35Å; L171-R235 HydrophobicContact CD2-CB 3.87Å; L171-R235 HydrophobicContact CD2-CG 4.16Å; F195-R235 CarbonylContact C-O 3.3Å; F195-R235 VanDerWaalsContact CA-O 3.32Å; F195-R235 WeakPolarHBondContact CA-O 3.24Å; T196-R235 PolarHBondContact N-O 2.99Å; T196-R235 PolarHBondContact O-N 2.77Å; V198-R235 HydrophobicContact CG2-CB 3.76Å; E202-R235 IonicContact OE2-CZ 2.77Å; E202-R235 IonicContact OE2-NH1 3.85Å; E202-R235 PolarHBondContact OE2-NH1 3.47Å; E202-R235 VanDerWaalsContact OE2-NH1 3.11Å; E202-R235 IonicContact OE2-NH2 3.05Å; E202-R235 PolarHBondContact OE2-NH2 2.94Å
236R98.6Very high91.7Very high28 Ų2873.1 Ų73.111%0.10639%0.389CS..EExtended strand (participates in β ladder)trans-73.7122.7170.1-171.2-76.7-162.1-159.58108.6A163 L166 R167 G169 G170 L194 F195A163-R236 PolarHBondContact O-NE 3.06Å; L166-R236 HydrophobicContact CB-CG 4.36Å; L166-R236 HydrophobicContact CD2-CB 3.78Å; L166-R236 HydrophobicContact CD2-CG 4.4Å; L166-R236 HydrophobicContact CG-CB 4Å; L166-R236 HydrophobicContact CG-CG 4.35Å; L166-R236 PolarHBondContact O-NE 3.08Å; L166-R236 VanDerWaalsContact O-NE 3.12Å; R167-R236 WeakPolarHBondContact O-CD 3.35Å; G169-R236 PolarHBondContact N-O 2.89Å; G170-R236 PolarHBondContact O-N 3.03Å; L194-R236 CarbonylContact O-C 3.5Å; L194-R236 VanDerWaalsContact O-CA 3.31Å; L194-R236 WeakPolarHBondContact O-CA 3.47Å; F195-R236 HydrophobicContact CD1-CB 4.27Å; F195-R236 HydrophobicContact CE1-CB 3.92Å; F195-R236 HydrophobicContact CE1-CG 4.24Å
237V98.1Very high91.9Very high32 Ų3273.4 Ų73.419%0.19437%0.367CS..  trans-108.4165.2-178.8-63.90000111.3L193 L194L193-V237 WeakPolarHBondContact O-CG2 3.48Å; L194-V237 PolarHBondContact O-N 3.24Å
238E95.6Very high92.1Very high130 Ų13075.7 Ų75.761%0.60736%0.363SS*.  trans-64.8151.6171-73.9-178.1176.600110.9V168 Q240V168-E238 HydrophobicContact CB-CG 4.38Å; V168-E238 HydrophobicContact CG1-CG 3.69Å; V168-E238 HydrophobicContact CG2-CG 3.68Å; E238-Q240 PolarHBondContact O-N 3.28Å
239D88.9Confident92.2Very high93 Ų9369.8 Ų69.850%0.49734%0.34SS..  trans-69.5126.4166.7-158.9-18.6000107.3L194 N241L194-D239 HydrophobicContact CD2-CB 3.69Å; D239-N241 VanDerWaalsContact C-N 3.28Å; D239-N241 PolarHBondContact OD1-N 3.07Å
240Q78.1Confident92.2Very high186 Ų18670.4 Ų70.487%0.86934%0.341SS*.  trans-89.82.9-178.8-64.7-165.9-6.500112.5E238E238-Q240 PolarHBondContact O-N 3.28Å
241N59.7Low91.8Very high190 Ų19072 Ų72100%1.01635%0.353SS*.  trans-98.70179.3-66.5-40.1000113.3D239D239-N241 VanDerWaalsContact C-N 3.28Å; D239-N241 PolarHBondContact OD1-N 3.07Å

Retrieved 241 of 241 residues in 1352.6 ms (Link to these results)

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