A0A087Y759_POEFO Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A087Y759, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 221 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
1L37.4Very low79.3Confident228 Ų22874.8 Ų74.8100%1.19441%0.408SS*.  0114.80-75.3158.2000106.1D3L1-D3 PolarHBondContact O-N 2.99Å
2L46.3Very low80.1Confident133 Ų13375.6 Ų75.670%0.69642%0.417SS*.  trans-59.2126.4173.6-83.1149.4000107.5D4 P205L2-D4 PolarHBondContact O-N 3.09Å; L2-D4 VanDerWaalsContact O-N 3.16Å; L2-P205 HydrophobicContact CD2-CB 4.41Å; L2-P205 VanDerWaalsContact CD2-CD 3.42Å; L2-P205 HydrophobicContact CD2-CG 3.45Å; L2-P205 VanDerWaalsContact CD2-CG 3.45Å; L2-P205 HydrophobicContact CG-CG 4.41Å
3D56.1Low79.8Confident82 Ų8274.6 Ų74.644%0.43941%0.414SS..  trans-65.1111.6176.5-177.111.8000109.3L1 S5L1-D3 PolarHBondContact O-N 2.99Å; D3-S5 PolarHBondContact O-N 3.34Å; D3-S5 WeakPolarHBondContact OD1-CB 3.31Å; D3-S5 PolarHBondContact OD1-N 2.81Å; D3-S5 PolarHBondContact OD1-OG 3.12Å; D3-S5 VanDerWaalsContact OD1-OG 3.07Å; D3-S5 PolarHBondContact OD2-OG 3.03Å
4D75.3Confident79.3Confident82 Ų8281.1 Ų81.144%0.43944%0.439SS..G310 helixtrans-69.9-9.8176.3-168.548.7000111.6L2 S6 R7 K9L2-D4 PolarHBondContact O-N 3.09Å; L2-D4 VanDerWaalsContact O-N 3.16Å; D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 PolarHBondContact O-N 3.01Å; D4-R7 PolarHBondContact O-N 3.46Å; D4-R7 IonicContact OD1-CZ 3.76Å; D4-R7 IonicContact OD1-NE 3.38Å; D4-R7 PolarHBondContact OD1-NE 2.89Å; D4-R7 IonicContact OD1-NH2 3.45Å; D4-K9 IonicContact OD1-NZ 2.68Å; D4-K9 IonicContact OD2-NZ 3.26Å; D4-K9 PolarHBondContact OD2-NZ 3.01Å
5S87.4Confident78.7Confident97 Ų9779.7 Ų79.768%0.67845%0.452SS*.G310 helixtrans-64.6-33.7-175.785.20000113.5D3D3-S5 PolarHBondContact O-N 3.34Å; D3-S5 WeakPolarHBondContact OD1-CB 3.31Å; D3-S5 PolarHBondContact OD1-N 2.81Å; D3-S5 PolarHBondContact OD1-OG 3.12Å; D3-S5 VanDerWaalsContact OD1-OG 3.07Å; D3-S5 PolarHBondContact OD2-OG 3.03Å
6S93.7Very high78.2Confident7 Ų778.3 Ų78.35%0.04945%0.448CS..G310 helixtrans-96.9-7.1-177.868.30000113.2D4 N25 Y26 H203D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 PolarHBondContact O-N 3.01Å; S6-N25 CarbonylContact O-C 3.54Å; S6-N25 WeakPolarHBondContact O-CA 3.4Å; S6-N25 PolarHBondContact OG-ND2 2.84Å; S6-Y26 PolarHBondContact O-N 2.79Å; S6-H203 WeakPolarHBondContact CB-O 3.39Å; S6-H203 PolarHBondContact OG-O 2.76Å
7R95.6Very high77.5Confident34 Ų3480.4 Ų80.413%0.12847%0.465CS..EExtended strand (participates in β ladder)trans-61.2139.5-176-175.4177.765.394.7-13.2111.1D4 K9 D20D4-R7 PolarHBondContact O-N 3.46Å; D4-R7 IonicContact OD1-CZ 3.76Å; D4-R7 IonicContact OD1-NE 3.38Å; D4-R7 PolarHBondContact OD1-NE 2.89Å; D4-R7 IonicContact OD1-NH2 3.45Å; R7-K9 PolarHBondContact O-N 3.15Å; R7-D20 IonicContact CZ-OD1 3.91Å; R7-D20 IonicContact CZ-OD2 3.96Å; R7-D20 PolarHBondContact NH1-O 3.23Å; R7-D20 IonicContact NH1-OD1 3.41Å; R7-D20 PolarHBondContact NH1-OD1 3.38Å; R7-D20 VanDerWaalsContact NH1-OD1 3.09Å; R7-D20 IonicContact NH1-OD2 3.14Å; R7-D20 VanDerWaalsContact NH2-CG 3.28Å; R7-D20 IonicContact NH2-OD1 3.43Å; R7-D20 PolarHBondContact NH2-OD1 3.42Å; R7-D20 IonicContact NH2-OD2 2.79Å; R7-D20 PolarHBondContact NH2-OD2 2.94Å
8V96.9Very high77.3Confident0 Ų083.1 Ų83.10%048%0.478CS..EExtended strand (participates in β ladder)trans-75.8121.2167-176.10000108.9I22 A24 Y26 I37 M53 K57V8-I22 HydrophobicContact CB-CG2 4.21Å; V8-I22 HydrophobicContact CG1-CG2 4.28Å; V8-A24 HydrophobicContact CB-CB 4.16Å; V8-A24 HydrophobicContact CG2-CB 4Å; V8-A24 PolarHBondContact N-O 3.33Å; V8-Y26 HydrophobicContact CB-CE2 4.33Å; V8-Y26 HydrophobicContact CG1-CE2 4.48Å; V8-Y26 HydrophobicContact CG2-CD1 4.45Å; V8-Y26 HydrophobicContact CG2-CD2 3.96Å; V8-Y26 HydrophobicContact CG2-CE1 4.34Å; V8-Y26 HydrophobicContact CG2-CE2 3.84Å; V8-Y26 HydrophobicContact CG2-CG 4.27Å; V8-I37 HydrophobicContact CG2-CD1 4.2Å; V8-I37 HydrophobicContact CG2-CG1 3.98Å; V8-I37 HydrophobicContact CG2-CG2 3.81Å; V8-M53 HydrophobicContact CB-SD 4.45Å; V8-M53 HydrophobicContact CG1-CG 3.94Å; V8-M53 HydrophobicContact CG1-SD 4.04Å; V8-K57 HydrophobicContact CG1-CD 4.27Å; V8-K57 HydrophobicContact CG1-CG 3.96Å
9K95.6Very high77.6Confident90 Ų9080.8 Ų80.839%0.39146%0.462SS..EExtended strand (participates in β ladder)trans-104.5128.9178.4-50.2-163.9174.7-168.50110.1D4 R7 D20 K57D4-K9 IonicContact OD1-NZ 2.68Å; D4-K9 IonicContact OD2-NZ 3.26Å; D4-K9 PolarHBondContact OD2-NZ 3.01Å; R7-K9 PolarHBondContact O-N 3.15Å; K9-D20 WeakPolarHBondContact CA-O 3.26Å; K9-K57 WeakPolarHBondContact O-CE 3.42Å; K9-K57 PolarHBondContact O-NZ 3.21Å
10L95.6Very high78.4Confident8 Ų878.6 Ų78.64%0.04245%0.449CS..PPolyproline II helixtrans-84.2160.9172.6-59.5176000110.6D20 I22 E49 R52 M53 E56L10-D20 PolarHBondContact N-O 3.21Å; L10-D20 WeakPolarHBondContact O-CB 3.36Å; L10-I22 HydrophobicContact CD1-CB 3.95Å; L10-I22 HydrophobicContact CD1-CG2 4.1Å; L10-I22 HydrophobicContact CD2-CG2 4.35Å; L10-I22 HydrophobicContact CG-CB 4.4Å; L10-I22 HydrophobicContact CG-CG2 4.01Å; L10-E49 HydrophobicContact CD1-CB 3.95Å; L10-E49 HydrophobicContact CD1-CG 4.32Å; L10-R52 VanDerWaalsContact CB-NH2 3.3Å; L10-M53 HydrophobicContact CD2-CB 3.73Å; L10-M53 HydrophobicContact CD2-CG 4.2Å; L10-E56 VanDerWaalsContact CA-OE2 3.31Å; L10-E56 WeakPolarHBondContact CA-OE2 3.47Å
11S92.8Very high79.1Confident62 Ų6280.7 Ų80.743%0.43445%0.451SS..PPolyproline II helixtrans-67.2140.2172.663.50000110.7E56S11-E56 WeakPolarHBondContact CB-OE1 3.49Å; S11-E56 PolarHBondContact N-OE1 2.99Å; S11-E56 PolarHBondContact N-OE2 2.53Å; S11-E56 PolarHBondContact OG-OE1 2.89Å
12V88.3Confident82Confident84 Ų8470.5 Ų70.551%0.50940%0.397SS..PPolyproline II helixtrans-84.1125.1174.9178.60000108.2D20V12-D20 HydrophobicContact CG2-CB 3.92Å
13V76Confident84.4Confident63 Ų6366.5 Ų66.538%0.38238%0.376SS..SBendtrans-105.2-40.2-169.8-175.80000111.8E19V13-E19 PolarHBondContact N-OE2 2.83Å
14H73.7Confident86.4Confident165 Ų16562.7 Ų62.776%0.76436%0.356SS*.SBendtrans-120.35.6-178-52.3-70.2000113.8E19H14-E19 WeakPolarHBondContact CB-OE1 3.19Å; H14-E19 IonicContact CD2-OE1 2.79Å; H14-E19 PolarHBondContact N-OE2 2.82Å
15G70.1Confident87.5Confident61 Ų6159.3 Ų59.363%0.62934%0.338SS*.  trans81.910.8176.300000114.2
16S71.3Confident88Confident56 Ų5656.7 Ų56.739%0.39231%0.314SS..  trans-72.5138.7173.6-176.90000111.1N18 E19S16-N18 PolarHBondContact O-N 2.88Å; S16-E19 WeakPolarHBondContact CB-OE1 3.28Å; S16-E19 PolarHBondContact N-OE1 2.7Å; S16-E19 PolarHBondContact O-N 2.95Å
17P66.3Low88.2Confident115 Ų11556.4 Ų56.475%0.74731%0.311SS*.THydrogen-bonded Turntrans-59.5-20.1-175.4-23.732.2000115.8
18N73.2Confident88.2Confident129 Ų12955.3 Ų55.369%0.6931%0.309SS*.THydrogen-bonded Turntrans-109.81.1-173.6-66.8-17.9000113.8S16 D20 Y21S16-N18 PolarHBondContact O-N 2.88Å; N18-D20 PolarHBondContact O-N 2.85Å; N18-Y21 WeakPolarHBondContact O-CB 3.28Å; N18-Y21 PolarHBondContact O-N 2.81Å
19E83.9Confident88.1Confident39 Ų3955.8 Ų55.818%0.18231%0.314CS..THydrogen-bonded Turntrans-67.7-22.9-178.5-85.8168.7-15100113.2V13 H14 S16 Y21 R52V13-E19 PolarHBondContact N-OE2 2.83Å; H14-E19 WeakPolarHBondContact CB-OE1 3.19Å; H14-E19 IonicContact CD2-OE1 2.79Å; H14-E19 PolarHBondContact N-OE2 2.82Å; S16-E19 WeakPolarHBondContact CB-OE1 3.28Å; S16-E19 PolarHBondContact N-OE1 2.7Å; S16-E19 PolarHBondContact O-N 2.95Å; E19-Y21 PolarHBondContact O-N 2.85Å; E19-R52 PolarHBondContact O-NH2 3.33Å
20D92.1Very high87.9Confident36 Ų3654.6 Ų54.619%0.19331%0.307CS..THydrogen-bonded Turntrans-78.1-7.6179.491.2-13.7000112.9R7 K9 L10 V12 N18R7-D20 IonicContact CZ-OD1 3.91Å; R7-D20 IonicContact CZ-OD2 3.96Å; R7-D20 PolarHBondContact NH1-O 3.23Å; R7-D20 IonicContact NH1-OD1 3.41Å; R7-D20 PolarHBondContact NH1-OD1 3.38Å; R7-D20 VanDerWaalsContact NH1-OD1 3.09Å; R7-D20 IonicContact NH1-OD2 3.14Å; R7-D20 VanDerWaalsContact NH2-CG 3.28Å; R7-D20 IonicContact NH2-OD1 3.43Å; R7-D20 PolarHBondContact NH2-OD1 3.42Å; R7-D20 IonicContact NH2-OD2 2.79Å; R7-D20 PolarHBondContact NH2-OD2 2.94Å; K9-D20 WeakPolarHBondContact CA-O 3.26Å; L10-D20 PolarHBondContact N-O 3.21Å; L10-D20 WeakPolarHBondContact O-CB 3.36Å; V12-D20 HydrophobicContact CG2-CB 3.92Å; N18-D20 PolarHBondContact O-N 2.85Å
21Y94.1Very high87.7Confident124 Ų12458.4 Ų58.449%0.48633%0.327SS..EExtended strand (participates in β ladder)trans-87.1131.6-167.1-177.3-95.4000112.6N18 E19 N23N18-Y21 WeakPolarHBondContact O-CB 3.28Å; N18-Y21 PolarHBondContact O-N 2.81Å; E19-Y21 PolarHBondContact O-N 2.85Å; Y21-N23 HydrophobicContact CE1-CB 4.28Å
22I96.8Very high87.7Confident13 Ų1358.4 Ų58.47%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-143.2144.4159.5-173.5162.4000108.1V8 L10 A24 E49 F50 M53V8-I22 HydrophobicContact CB-CG2 4.21Å; V8-I22 HydrophobicContact CG1-CG2 4.28Å; L10-I22 HydrophobicContact CD1-CB 3.95Å; L10-I22 HydrophobicContact CD1-CG2 4.1Å; L10-I22 HydrophobicContact CD2-CG2 4.35Å; L10-I22 HydrophobicContact CG-CB 4.4Å; L10-I22 HydrophobicContact CG-CG2 4.01Å; I22-A24 HydrophobicContact CG2-CB 4.32Å; I22-A24 PolarHBondContact O-N 3.07Å; I22-E49 HydrophobicContact CD1-CB 4.33Å; I22-F50 HydrophobicContact CD1-CB 4.47Å; I22-M53 HydrophobicContact CD1-CB 3.8Å; I22-M53 HydrophobicContact CD1-CE 4.18Å; I22-M53 HydrophobicContact CD1-CG 4.33Å; I22-M53 HydrophobicContact CD1-SD 3.81Å; I22-M53 HydrophobicContact CG1-SD 4.44Å; I22-M53 HydrophobicContact CG2-CG 4.48Å; I22-M53 HydrophobicContact CG2-SD 4.03Å
23N97.1Very high87.9Confident50 Ų5064.9 Ų64.927%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-77.273.7178.8-171.2-10000110.9Y21 Q40 R204Y21-N23 HydrophobicContact CE1-CB 4.28Å; N23-Q40 HydrophobicContact CB-CB 4.11Å; N23-Q40 PolarHBondContact ND2-OE1 2.81Å; N23-Q40 PolarHBondContact O-N 2.88Å; N23-R204 PolarHBondContact OD1-NH1 2.86Å; N23-R204 PolarHBondContact OD1-NH2 3.46Å
24A98.3Very high88.8Confident1 Ų167.8 Ų67.81%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-149148.4178.400000111.7V8 I22 I37 A38 A39 M53V8-A24 HydrophobicContact CB-CB 4.16Å; V8-A24 HydrophobicContact CG2-CB 4Å; V8-A24 PolarHBondContact N-O 3.33Å; I22-A24 HydrophobicContact CG2-CB 4.32Å; I22-A24 PolarHBondContact O-N 3.07Å; A24-I37 HydrophobicContact CB-CG2 3.73Å; A24-A38 CarbonylContact C-O 3.58Å; A24-A38 WeakPolarHBondContact CA-O 3.48Å; A24-A39 HydrophobicContact CB-CB 3.77Å; A24-M53 HydrophobicContact CB-SD 3.76Å
25N98.4Very high89.9Confident12 Ų1260.7 Ų60.76%0.06432%0.317CS..EExtended strand (participates in β ladder)trans-128.9142.8176.1-62.988000110.2S6 M27 I37 A38 R204S6-N25 CarbonylContact O-C 3.54Å; S6-N25 WeakPolarHBondContact O-CA 3.4Å; S6-N25 PolarHBondContact OG-ND2 2.84Å; N25-M27 HydrophobicContact CB-SD 4.36Å; N25-I37 CarbonylContact O-C 3.43Å; N25-I37 WeakPolarHBondContact O-CA 3.29Å; N25-A38 PolarHBondContact N-O 2.81Å; N25-A38 PolarHBondContact O-N 2.87Å; N25-R204 HydrophobicContact CB-CB 4.07Å; N25-R204 HydrophobicContact CB-CG 4.39Å; N25-R204 PolarHBondContact OD1-NH1 3.47Å
26Y98.2Very high91.3Very high42 Ų4257.8 Ų57.817%0.16529%0.287CS..EExtended strand (participates in β ladder)trans-65.3136.6164.9-69-73.9000109.6S6 V8 K34 F36 I37 K57S6-Y26 PolarHBondContact O-N 2.79Å; V8-Y26 HydrophobicContact CB-CE2 4.33Å; V8-Y26 HydrophobicContact CG1-CE2 4.48Å; V8-Y26 HydrophobicContact CG2-CD1 4.45Å; V8-Y26 HydrophobicContact CG2-CD2 3.96Å; V8-Y26 HydrophobicContact CG2-CE1 4.34Å; V8-Y26 HydrophobicContact CG2-CE2 3.84Å; V8-Y26 HydrophobicContact CG2-CG 4.27Å; Y26-K34 HydrophobicContact CD1-CB 3.97Å; Y26-K34 HydrophobicContact CD1-CD 4.03Å; Y26-K34 HydrophobicContact CD1-CG 4.12Å; Y26-K34 HydrophobicContact CD2-CD 4.42Å; Y26-K34 HydrophobicContact CE1-CD 4.33Å; Y26-K34 HydrophobicContact CG-CB 4.47Å; Y26-K34 HydrophobicContact CG-CD 4.08Å; Y26-K34 HydrophobicContact CG-CG 4.16Å; Y26-F36 WeakPolarHBondContact CA-O 3.37Å; Y26-I37 HydrophobicContact CD1-CD1 4.35Å; Y26-I37 HydrophobicContact CD1-CG1 3.73Å; Y26-I37 HydrophobicContact CE1-CD1 3.87Å; Y26-I37 HydrophobicContact CE1-CG1 3.79Å; Y26-K57 WeakPolarHBondContact OH-CD 3.46Å
27M97.5Very high92.6Very high0 Ų055.1 Ų55.10%027%0.268CS..EExtended strand (participates in β ladder)trans-123.1139178.2-54.6-62.1-57.800110N25 E35 F36 A38 I176 L200 H203 R204 M207N25-M27 HydrophobicContact CB-SD 4.36Å; M27-E35 PolarHBondContact O-N 2.73Å; M27-F36 HydrophobicContact CB-CB 4.15Å; M27-F36 PolarHBondContact N-O 3.35Å; M27-F36 PolarHBondContact O-N 3.14Å; M27-A38 HydrophobicContact CG-CB 3.52Å; M27-A38 HydrophobicContact SD-CB 4.08Å; M27-I176 HydrophobicContact CB-CD1 4.35Å; M27-I176 HydrophobicContact CG-CD1 4.18Å; M27-L200 HydrophobicContact CE-CB 3.85Å; M27-L200 HydrophobicContact CE-CD2 3.52Å; M27-L200 HydrophobicContact CE-CG 4.27Å; M27-L200 WeakPolarHBondContact CE-O 3.46Å; M27-H203 HydrophobicContact CE-CB 3.79Å; M27-H203 HydrophobicContact SD-CB 3.72Å; M27-R204 HydrophobicContact CE-CB 4.34Å; M27-R204 HydrophobicContact SD-CB 3.68Å; M27-M207 HydrophobicContact CE-CE 3.72Å; M27-M207 HydrophobicContact CE-CG 4.06Å; M27-M207 HydrophobicContact CE-SD 4.49Å; M27-M207 HydrophobicContact CG-CE 4.46Å; M27-M207 HydrophobicContact SD-CE 4.31Å
28P96.1Very high94.1Very high11 Ų1149.6 Ų49.67%0.07123%0.233CC..  trans-69.4137.9170.531.3-35.1000109.6R33P28-R33 WeakPolarHBondContact CA-O 3.23Å
29G94.5Very high95.3Very high10 Ų1043.5 Ų43.510%0.10320%0.2CC..  trans-109.5-160.7160.700000109.9S32 E35G29-S32 PolarHBondContact N-O 2.88Å; G29-E35 WeakPolarHBondContact CA-OE2 3.37Å
30Y92.1Very high96Very high65 Ų6544.3 Ų44.326%0.25520%0.204SC..SBendtrans-77.4-35.6-179.4-170-90.5000112.5E35 F183 R187 E188Y30-E35 PolarHBondContact N-OE2 3.01Å; Y30-F183 VanDerWaalsContact CB-CD2 3.44Å; Y30-F183 HydrophobicContact CD1-CB 3.81Å; Y30-F183 HydrophobicContact CD1-CD1 4.05Å; Y30-F183 HydrophobicContact CD1-CD2 4.33Å; Y30-F183 AromaticContact CD1-CG 3.84Å; Y30-F183 HydrophobicContact CD1-CG 3.84Å; Y30-F183 HydrophobicContact CD2-CB 3.38Å; Y30-F183 HydrophobicContact CD2-CG 4.22Å; Y30-F183 HydrophobicContact CE1-CB 4.3Å; Y30-F183 HydrophobicContact CE2-CB 3.89Å; Y30-F183 HydrophobicContact CG-CB 3.33Å; Y30-F183 HydrophobicContact CG-CD1 4.33Å; Y30-F183 AromaticContact CG-CD2 3.93Å; Y30-F183 HydrophobicContact CG-CD2 3.93Å; Y30-F183 AromaticContact CG-CG 3.64Å; Y30-F183 HydrophobicContact CG-CG 3.64Å; Y30-R187 WeakPolarHBondContact OH-CD 3.39Å; Y30-E188 WeakPolarHBondContact CE2-OE1 3.2Å; Y30-E188 PolarHBondContact OH-OE1 2.99Å
31L90.6Very high96.3Very high89 Ų8942.7 Ų42.747%0.46620%0.196SC..SBendtrans-93.9-22.2-172.4-60.4174.4000112.9E35 F183L31-E35 PolarHBondContact N-OE2 2.9Å; L31-F183 HydrophobicContact CD1-CZ 4.3Å; L31-F183 HydrophobicContact CG-CZ 4.5Å
32S93.2Very high96.5Very high62 Ų6236.9 Ų36.943%0.43417%0.173SC..  trans-152.1149.7-178.21750000112.6G29 K34 E35G29-S32 PolarHBondContact N-O 2.88Å; S32-K34 PolarHBondContact O-N 3.45Å; S32-K34 PolarHBondContact OG-N 3.13Å; S32-E35 WeakPolarHBondContact O-CB 3.3Å; S32-E35 PolarHBondContact O-N 2.78Å
33R92.5Very high96.5Very high219 Ų21939.8 Ų39.883%0.82619%0.188SC*.THydrogen-bonded Turntrans-68.4-15.9174-67.9-168.4178.4-165.2-0.1114P28P28-R33 WeakPolarHBondContact CA-O 3.23Å
34K95.1Very high96.6Very high124 Ų12442.2 Ų42.254%0.53921%0.207SC..THydrogen-bonded Turntrans-128.541.3177.1-62.8-171.6178.1-176.20110.7Y26 S32 F36Y26-K34 HydrophobicContact CD1-CB 3.97Å; Y26-K34 HydrophobicContact CD1-CD 4.03Å; Y26-K34 HydrophobicContact CD1-CG 4.12Å; Y26-K34 HydrophobicContact CD2-CD 4.42Å; Y26-K34 HydrophobicContact CE1-CD 4.33Å; Y26-K34 HydrophobicContact CG-CB 4.47Å; Y26-K34 HydrophobicContact CG-CD 4.08Å; Y26-K34 HydrophobicContact CG-CG 4.16Å; S32-K34 PolarHBondContact O-N 3.45Å; S32-K34 PolarHBondContact OG-N 3.13Å; K34-F36 VanDerWaalsContact C-N 3.31Å
35E96.8Very high96.5Very high16 Ų1646.2 Ų46.28%0.07524%0.24CC..SBendtrans-70.3-31.2-177.4-169.7163.4-166.600112.3M27 G29 Y30 L31 S32 R149 M152 P160 T161M27-E35 PolarHBondContact O-N 2.73Å; G29-E35 WeakPolarHBondContact CA-OE2 3.37Å; Y30-E35 PolarHBondContact N-OE2 3.01Å; L31-E35 PolarHBondContact N-OE2 2.9Å; S32-E35 WeakPolarHBondContact O-CB 3.3Å; S32-E35 PolarHBondContact O-N 2.78Å; E35-R149 IonicContact OE1-CZ 3.8Å; E35-R149 IonicContact OE1-NH1 3.66Å; E35-R149 PolarHBondContact OE1-NH1 2.82Å; E35-R149 IonicContact OE1-NH2 2.63Å; E35-R149 PolarHBondContact OE1-NH2 2.91Å; E35-M152 HydrophobicContact CG-CE 4.24Å; E35-P160 WeakPolarHBondContact O-CA 3.42Å; E35-T161 PolarHBondContact O-N 2.72Å
36F98.5Very high96.4Very high0 Ų047.9 Ų47.90%025%0.251CS..EExtended strand (participates in β ladder)trans-125.9160179.1-53.9-82.2000112.5Y26 M27 K34 R149 M152 T161 V163 I176 D179Y26-F36 WeakPolarHBondContact CA-O 3.37Å; M27-F36 HydrophobicContact CB-CB 4.15Å; M27-F36 PolarHBondContact N-O 3.35Å; M27-F36 PolarHBondContact O-N 3.14Å; K34-F36 VanDerWaalsContact C-N 3.31Å; F36-R149 VanDerWaalsContact CZ-NH2 3.29Å; F36-M152 HydrophobicContact CD1-CE 4.42Å; F36-M152 HydrophobicContact CE1-CE 3.75Å; F36-M152 HydrophobicContact CE1-SD 4.23Å; F36-M152 HydrophobicContact CZ-CE 4.23Å; F36-T161 CarbonylContact C-O 3.5Å; F36-T161 WeakPolarHBondContact CA-O 3.43Å; F36-T161 HydrophobicContact CD1-CG2 4.25Å; F36-V163 HydrophobicContact CD1-CG2 3.79Å; F36-V163 HydrophobicContact CE1-CG2 4.37Å; F36-I176 HydrophobicContact CB-CD1 4.1Å; F36-I176 HydrophobicContact CD1-CG1 4.5Å; F36-I176 HydrophobicContact CD2-CG1 4.31Å; F36-I176 HydrophobicContact CD2-CG2 3.91Å; F36-I176 HydrophobicContact CE2-CG2 4.06Å; F36-I176 HydrophobicContact CG-CD1 4.32Å; F36-I176 HydrophobicContact CG-CG1 4.22Å; F36-D179 HydrophobicContact CZ-CB 4.41Å; F36-D179 WeakPolarHBondContact CZ-OD2 3.49Å
37I98.8Very high96.4Very high0 Ų046.5 Ų46.50%025%0.246CC..EExtended strand (participates in β ladder)trans-117.5114.9161.3-70.3166.8000107.1V8 A24 N25 Y26 A39 M53 K57 V59 P160 T161 V162 V163V8-I37 HydrophobicContact CG2-CD1 4.2Å; V8-I37 HydrophobicContact CG2-CG1 3.98Å; V8-I37 HydrophobicContact CG2-CG2 3.81Å; A24-I37 HydrophobicContact CB-CG2 3.73Å; N25-I37 CarbonylContact O-C 3.43Å; N25-I37 WeakPolarHBondContact O-CA 3.29Å; Y26-I37 HydrophobicContact CD1-CD1 4.35Å; Y26-I37 HydrophobicContact CD1-CG1 3.73Å; Y26-I37 HydrophobicContact CE1-CD1 3.87Å; Y26-I37 HydrophobicContact CE1-CG1 3.79Å; I37-A39 HydrophobicContact CG2-CB 4.45Å; I37-M53 HydrophobicContact CG2-CE 4.26Å; I37-M53 HydrophobicContact CG2-SD 3.95Å; I37-K57 HydrophobicContact CD1-CB 4.02Å; I37-K57 HydrophobicContact CD1-CG 4.2Å; I37-V59 HydrophobicContact CD1-CG2 4.36Å; I37-P160 HydrophobicContact CD1-CB 3.91Å; I37-P160 HydrophobicContact CD1-CG 3.65Å; I37-P160 HydrophobicContact CG1-CB 3.93Å; I37-P160 HydrophobicContact CG1-CG 4.24Å; I37-T161 PolarHBondContact N-O 3.3Å; I37-V162 HydrophobicContact CB-CG2 3.96Å; I37-V162 HydrophobicContact CD1-CG2 4.25Å; I37-V162 HydrophobicContact CG2-CG2 4.18Å; I37-V162 CarbonylContact O-C 3.47Å; I37-V162 WeakPolarHBondContact O-CA 3.23Å; I37-V163 PolarHBondContact O-N 3.47Å
38A98.7Very high96.4Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-86.2116.4170.500000109.1A24 N25 M27 V163 T172 I176 M207A24-A38 CarbonylContact C-O 3.58Å; A24-A38 WeakPolarHBondContact CA-O 3.48Å; N25-A38 PolarHBondContact N-O 2.81Å; N25-A38 PolarHBondContact O-N 2.87Å; M27-A38 HydrophobicContact CG-CB 3.52Å; M27-A38 HydrophobicContact SD-CB 4.08Å; A38-V163 WeakPolarHBondContact CA-O 3.49Å; A38-T172 HydrophobicContact CB-CG2 3.68Å; A38-I176 HydrophobicContact CB-CD1 4.27Å; A38-M207 HydrophobicContact CB-CE 4.01Å; A38-M207 HydrophobicContact CB-SD 4.43Å
39A98.6Very high96.5Very high1 Ų150.8 Ų50.81%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-123.1152.6-175.100000112.4A24 I37 F50 M53 V162 V163 H164 G168A24-A39 HydrophobicContact CB-CB 3.77Å; I37-A39 HydrophobicContact CG2-CB 4.45Å; A39-F50 HydrophobicContact CB-CE2 4.46Å; A39-M53 HydrophobicContact CB-CE 4.28Å; A39-V162 HydrophobicContact CB-CG1 4.19Å; A39-V163 PolarHBondContact N-O 3.15Å; A39-H164 HydrophobicContact CB-CB 4.27Å; A39-H164 WeakPolarHBondContact O-CA 3.38Å; A39-H164 WeakPolarHBondContact O-CB 3.28Å; A39-G168 WeakPolarHBondContact O-CA 3.34Å
40Q98.1Very high96.7Very high56 Ų5650.5 Ų50.526%0.26226%0.263SS..PPolyproline II helixtrans-63.8146.9162.8-167.4-177.1-1.700109.8N23 S166N23-Q40 HydrophobicContact CB-CB 4.11Å; N23-Q40 PolarHBondContact ND2-OE1 2.81Å; N23-Q40 PolarHBondContact O-N 2.88Å; Q40-S166 WeakPolarHBondContact CG-O 3.28Å
41G98.3Very high97Very high1 Ų147.4 Ų47.41%0.0125%0.251CS..PPolyproline II helixtrans-58.3135165.500000110.2C165 S166G41-C165 WeakPolarHBondContact CA-O 3.17Å; G41-C165 PolarHBondContact N-O 3.02Å; G41-S166 PolarHBondContact N-O 3.02Å
42P98.4Very high97.3Very high2 Ų244.8 Ų44.81%0.01324%0.235CC..PPolyproline II helixtrans-52.6144.7-179.6-3339.4000113.3V47 F50 C76 E77 Y79P42-V47 HydrophobicContact CB-CG2 3.86Å; P42-F50 HydrophobicContact CB-CB 4.39Å; P42-F50 HydrophobicContact CB-CG 4.48Å; P42-F50 HydrophobicContact CG-CB 3.84Å; P42-F50 HydrophobicContact CG-CD1 3.82Å; P42-F50 HydrophobicContact CG-CD2 3.52Å; P42-F50 HydrophobicContact CG-CE1 4.22Å; P42-F50 HydrophobicContact CG-CE2 3.94Å; P42-F50 HydrophobicContact CG-CG 3.44Å; P42-F50 VanDerWaalsContact CG-CG 3.44Å; P42-F50 HydrophobicContact CG-CZ 4.27Å; P42-C76 VanDerWaalsContact CD-SG 3.57Å; P42-E77 VanDerWaalsContact O-CB 3.22Å; P42-E77 WeakPolarHBondContact O-CB 3.37Å; P42-E77 PolarHBondContact O-N 2.79Å; P42-Y79 HydrophobicContact CB-CD1 4.13Å; P42-Y79 HydrophobicContact CB-CG 4.43Å; P42-Y79 HydrophobicContact CG-CD1 3.54Å; P42-Y79 HydrophobicContact CG-CE1 4.1Å; P42-Y79 HydrophobicContact CG-CG 3.91Å
43L97.8Very high97.6Very high74 Ų7441.9 Ų41.939%0.38721%0.214SC..  trans-104.3162.2170.6-56.6177.6000108.3A45 T46 V47L43-A45 PolarHBondContact O-N 2.88Å; L43-T46 WeakPolarHBondContact CB-OG1 3.34Å; L43-T46 PolarHBondContact N-OG1 2.78Å; L43-T46 PolarHBondContact O-N 2.68Å; L43-T46 PolarHBondContact O-OG1 2.8Å; L43-V47 WeakPolarHBondContact O-CG2 3.43Å; L43-V47 PolarHBondContact O-N 2.87Å; L43-V47 VanDerWaalsContact O-N 3.13Å
44P97.6Very high97.9Very high102 Ų10231.4 Ų31.466%0.66218%0.175SC*.THydrogen-bonded Turntrans-49.8-36.8174.6-28.734.6000113.6E77P44-E77 HydrophobicContact CG-CG 4.31Å
45A96.6Very high98Very high84 Ų8426.4 Ų26.469%0.69415%0.153SC*.THydrogen-bonded Turntrans-85-4-179.700000114.8L43L43-A45 PolarHBondContact O-N 2.88Å
46T97.1Very high98.1Very high48 Ų4828.2 Ų28.229%0.29416%0.161SC..THydrogen-bonded Turntrans-128.55.8-17563.60000114.3L43 N48 E49 F50L43-T46 WeakPolarHBondContact CB-OG1 3.34Å; L43-T46 PolarHBondContact N-OG1 2.78Å; L43-T46 PolarHBondContact O-N 2.68Å; L43-T46 PolarHBondContact O-OG1 2.8Å; T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 3.3Å; T46-E49 VanDerWaalsContact CA-OE2 3.26Å; T46-E49 WeakPolarHBondContact CA-OE2 3.5Å; T46-E49 PolarHBondContact O-N 3.49Å; T46-F50 WeakPolarHBondContact O-CB 3.46Å; T46-F50 PolarHBondContact O-N 3.48Å
47V98.4Very high98Very high12 Ų1230.1 Ų30.17%0.07317%0.169CC..Hα-helixtrans-63-37.4178.8171.20000111.4P42 L43 F50 W51 E77 Y87P42-V47 HydrophobicContact CB-CG2 3.86Å; L43-V47 WeakPolarHBondContact O-CG2 3.43Å; L43-V47 PolarHBondContact O-N 2.87Å; L43-V47 VanDerWaalsContact O-N 3.13Å; V47-F50 PolarHBondContact O-N 3.48Å; V47-W51 PolarHBondContact O-N 2.84Å; V47-E77 HydrophobicContact CG2-CB 4.06Å; V47-E77 HydrophobicContact CG2-CG 3.72Å; V47-Y87 HydrophobicContact CG1-CD1 3.5Å; V47-Y87 VanDerWaalsContact CG1-CD1 3.5Å; V47-Y87 HydrophobicContact CG1-CE1 3.32Å; V47-Y87 HydrophobicContact CG1-CG 4.47Å
48N97.3Very high98Very high52 Ų5233.1 Ų33.128%0.27819%0.185SC..Hα-helixtrans-65.9-48.5178.1-64.3-14.9000111T46 F50 W51 R52 E88T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 3.3Å; N48-F50 VanDerWaalsContact C-N 3.25Å; N48-F50 PolarHBondContact O-N 3.36Å; N48-W51 PolarHBondContact O-N 3.3Å; N48-R52 WeakPolarHBondContact O-CB 3.39Å; N48-R52 PolarHBondContact O-N 3.24Å; N48-E88 HydrophobicContact CB-CG 4.12Å; N48-E88 WeakPolarHBondContact ND2-CG 3.41Å; N48-E88 PolarHBondContact ND2-OE1 3.17Å
49E97.1Very high98Very high49 Ų4933.2 Ų33.223%0.22919%0.186CC..Hα-helixtrans-62.3-34.6177.7-6976.2-173.900111.5L10 I22 T46 R52 M53L10-E49 HydrophobicContact CD1-CB 3.95Å; L10-E49 HydrophobicContact CD1-CG 4.32Å; I22-E49 HydrophobicContact CD1-CB 4.33Å; T46-E49 VanDerWaalsContact CA-OE2 3.26Å; T46-E49 WeakPolarHBondContact CA-OE2 3.5Å; T46-E49 PolarHBondContact O-N 3.49Å; E49-R52 PolarHBondContact O-N 3.35Å; E49-M53 WeakPolarHBondContact O-CB 3.45Å; E49-M53 PolarHBondContact O-N 2.87Å
50F98.6Very high98Very high4 Ų435.6 Ų35.62%0.01820%0.197CC..Hα-helixtrans-62.4-50174.5-175.5-94.1000111.5I22 A39 P42 T46 V47 N48 R52 M53 V54 L62 Y79 V162I22-F50 HydrophobicContact CD1-CB 4.47Å; A39-F50 HydrophobicContact CB-CE2 4.46Å; P42-F50 HydrophobicContact CB-CB 4.39Å; P42-F50 HydrophobicContact CB-CG 4.48Å; P42-F50 HydrophobicContact CG-CB 3.84Å; P42-F50 HydrophobicContact CG-CD1 3.82Å; P42-F50 HydrophobicContact CG-CD2 3.52Å; P42-F50 HydrophobicContact CG-CE1 4.22Å; P42-F50 HydrophobicContact CG-CE2 3.94Å; P42-F50 HydrophobicContact CG-CG 3.44Å; P42-F50 VanDerWaalsContact CG-CG 3.44Å; P42-F50 HydrophobicContact CG-CZ 4.27Å; T46-F50 WeakPolarHBondContact O-CB 3.46Å; T46-F50 PolarHBondContact O-N 3.48Å; V47-F50 PolarHBondContact O-N 3.48Å; N48-F50 VanDerWaalsContact C-N 3.25Å; N48-F50 PolarHBondContact O-N 3.36Å; F50-R52 VanDerWaalsContact C-N 3.32Å; F50-R52 PolarHBondContact O-N 2.83Å; F50-M53 HydrophobicContact CD2-CE 3.96Å; F50-M53 HydrophobicContact CE2-CE 3.98Å; F50-M53 VanDerWaalsContact O-CB 3.32Å; F50-M53 WeakPolarHBondContact O-CB 3.33Å; F50-M53 PolarHBondContact O-N 2.85Å; F50-M53 VanDerWaalsContact O-N 3.17Å; F50-V54 HydrophobicContact CD1-CG2 4.26Å; F50-V54 HydrophobicContact CE1-CG2 4Å; F50-V54 HydrophobicContact CZ-CG2 4.48Å; F50-V54 WeakPolarHBondContact O-CG2 3.32Å; F50-V54 PolarHBondContact O-N 2.86Å; F50-L62 HydrophobicContact CE1-CD1 4.39Å; F50-L62 HydrophobicContact CE1-CD2 4.37Å; F50-L62 HydrophobicContact CZ-CD2 4.15Å; F50-Y79 HydrophobicContact CD1-CD2 4.01Å; F50-Y79 HydrophobicContact CD1-CE2 4.24Å; F50-Y79 HydrophobicContact CD1-CG 4.36Å; F50-Y79 AromaticContact CE1-CD2 3.78Å; F50-Y79 HydrophobicContact CE1-CD2 3.78Å; F50-Y79 HydrophobicContact CE1-CE1 4.44Å; F50-Y79 AromaticContact CE1-CE2 3.53Å; F50-Y79 HydrophobicContact CE1-CE2 3.53Å; F50-Y79 HydrophobicContact CE1-CG 4.35Å; F50-Y79 AromaticContact CE1-CZ 3.87Å; F50-Y79 HydrophobicContact CZ-CE2 4.28Å; F50-V162 HydrophobicContact CE2-CG1 4.09Å; F50-V162 HydrophobicContact CZ-CG1 4.1Å
51W98.6Very high98Very high0 Ų033 Ų330%019%0.185CC..Hα-helixtrans-66.6-34.1176.1-77.4116.3000113V47 N48 M53 V54 W55 L62 Y79 Y87 I90 V92 F108 I110V47-W51 PolarHBondContact O-N 2.84Å; N48-W51 PolarHBondContact O-N 3.3Å; W51-M53 VanDerWaalsContact C-N 3.33Å; W51-V54 HydrophobicContact CE3-CB 4.07Å; W51-V54 HydrophobicContact CE3-CG1 4.03Å; W51-V54 HydrophobicContact CE3-CG2 4.25Å; W51-V54 HydrophobicContact CZ3-CG1 4.06Å; W51-V54 PolarHBondContact O-N 3.38Å; W51-W55 PolarHBondContact O-N 2.93Å; W51-L62 HydrophobicContact CH2-CD1 4.08Å; W51-L62 HydrophobicContact CZ3-CD1 4.2Å; W51-Y79 AromaticContact CE2-CD2 3.82Å; W51-Y79 VanDerWaalsContact CE2-O 3.32Å; W51-Y79 HydrophobicContact CH2-CD2 4.41Å; W51-Y79 HydrophobicContact CH2-CE2 4.42Å; W51-Y79 AromaticContact CZ2-CD2 3.57Å; W51-Y79 HydrophobicContact CZ2-CD2 3.57Å; W51-Y79 AromaticContact CZ2-CE2 3.99Å; W51-Y79 HydrophobicContact CZ2-CE2 3.99Å; W51-Y79 WeakPolarHBondContact CZ2-O 3.46Å; W51-Y79 AromaticContact NE1-CD2 3.91Å; W51-Y79 PolarHBondContact NE1-O 2.99Å; W51-Y87 AromaticContact CD1-CD1 3.91Å; W51-Y87 AromaticContact CD1-CD2 3.3Å; W51-Y87 AromaticContact CD1-CE2 3.61Å; W51-Y87 AromaticContact CD1-CG 3.45Å; W51-Y87 VanDerWaalsContact CD1-CG 3.45Å; W51-Y87 AromaticContact CG-CD2 3.96Å; W51-Y87 HydrophobicContact CG-CD2 3.96Å; W51-Y87 HydrophobicContact CG-CE2 4.48Å; W51-Y87 HydrophobicContact CG-CG 4.22Å; W51-Y87 AromaticContact NE1-CD2 3.56Å; W51-Y87 AromaticContact NE1-CE2 3.33Å; W51-Y87 VanDerWaalsContact NE1-CE2 3.33Å; W51-Y87 AromaticContact NE1-CZ 3.7Å; W51-I90 HydrophobicContact CB-CB 4.34Å; W51-I90 HydrophobicContact CB-CG2 4.2Å; W51-V92 HydrophobicContact CD2-CG2 3.55Å; W51-V92 HydrophobicContact CE3-CG2 3.79Å; W51-V92 HydrophobicContact CG-CG2 3.99Å; W51-V92 HydrophobicContact CH2-CG1 3.77Å; W51-V92 HydrophobicContact CH2-CG2 4.21Å; W51-V92 HydrophobicContact CZ2-CB 4.41Å; W51-V92 HydrophobicContact CZ2-CG1 3.73Å; W51-V92 HydrophobicContact CZ2-CG2 3.99Å; W51-V92 HydrophobicContact CZ3-CG1 4.31Å; W51-V92 HydrophobicContact CZ3-CG2 4.12Å; W51-F108 AromaticContact CH2-CD2 3.73Å; W51-F108 HydrophobicContact CH2-CD2 3.73Å; W51-F108 AromaticContact CH2-CE2 3.91Å; W51-F108 HydrophobicContact CH2-CE2 3.91Å; W51-F108 HydrophobicContact CH2-CG 4.27Å; W51-I110 HydrophobicContact CE3-CG2 4.12Å; W51-I110 HydrophobicContact CZ3-CG2 3.78Å
52R97.6Very high98Very high35 Ų3532.9 Ų32.913%0.13218%0.184CC..Hα-helixtrans-61.9-41.4171.1-166175.873.8-165.73.2111.5L10 E19 N48 E49 F50 W55 E56L10-R52 VanDerWaalsContact CB-NH2 3.3Å; E19-R52 PolarHBondContact O-NH2 3.33Å; N48-R52 WeakPolarHBondContact O-CB 3.39Å; N48-R52 PolarHBondContact O-N 3.24Å; E49-R52 PolarHBondContact O-N 3.35Å; F50-R52 VanDerWaalsContact C-N 3.32Å; F50-R52 PolarHBondContact O-N 2.83Å; R52-W55 PolarHBondContact O-N 3.38Å; R52-E56 HydrophobicContact CG-CG 4.28Å; R52-E56 IonicContact NE-OE1 3.39Å; R52-E56 WeakPolarHBondContact O-CB 3.45Å; R52-E56 WeakPolarHBondContact O-CG 3.42Å; R52-E56 PolarHBondContact O-N 3.15Å
53M98.4Very high98.1Very high0 Ų032.8 Ų32.80%018%0.184CC..Hα-helixtrans-60.4-48.3173.2-174.8-173.262.300111.4V8 L10 I22 A24 I37 A39 E49 F50 W51 W55 E56 K57 V162V8-M53 HydrophobicContact CB-SD 4.45Å; V8-M53 HydrophobicContact CG1-CG 3.94Å; V8-M53 HydrophobicContact CG1-SD 4.04Å; L10-M53 HydrophobicContact CD2-CB 3.73Å; L10-M53 HydrophobicContact CD2-CG 4.2Å; I22-M53 HydrophobicContact CD1-CB 3.8Å; I22-M53 HydrophobicContact CD1-CE 4.18Å; I22-M53 HydrophobicContact CD1-CG 4.33Å; I22-M53 HydrophobicContact CD1-SD 3.81Å; I22-M53 HydrophobicContact CG1-SD 4.44Å; I22-M53 HydrophobicContact CG2-CG 4.48Å; I22-M53 HydrophobicContact CG2-SD 4.03Å; A24-M53 HydrophobicContact CB-SD 3.76Å; I37-M53 HydrophobicContact CG2-CE 4.26Å; I37-M53 HydrophobicContact CG2-SD 3.95Å; A39-M53 HydrophobicContact CB-CE 4.28Å; E49-M53 WeakPolarHBondContact O-CB 3.45Å; E49-M53 PolarHBondContact O-N 2.87Å; F50-M53 HydrophobicContact CD2-CE 3.96Å; F50-M53 HydrophobicContact CE2-CE 3.98Å; F50-M53 VanDerWaalsContact O-CB 3.32Å; F50-M53 WeakPolarHBondContact O-CB 3.33Å; F50-M53 PolarHBondContact O-N 2.85Å; F50-M53 VanDerWaalsContact O-N 3.17Å; W51-M53 VanDerWaalsContact C-N 3.33Å; M53-W55 VanDerWaalsContact C-N 3.27Å; M53-W55 PolarHBondContact O-N 3.45Å; M53-E56 PolarHBondContact O-N 2.99Å; M53-K57 HydrophobicContact CG-CG 4.08Å; M53-K57 WeakPolarHBondContact O-CB 3.36Å; M53-K57 WeakPolarHBondContact O-CG 3.47Å; M53-K57 PolarHBondContact O-N 3.49Å; M53-V162 HydrophobicContact CE-CG1 4.17Å; M53-V162 HydrophobicContact CE-CG2 3.89Å
54V98.8Very high98.1Very high0 Ų029.3 Ų29.30%017%0.165CC..Hα-helixtrans-55.7-46.2178171.30000110.3F50 W51 N58 V59 L62 I110 V121F50-V54 HydrophobicContact CD1-CG2 4.26Å; F50-V54 HydrophobicContact CE1-CG2 4Å; F50-V54 HydrophobicContact CZ-CG2 4.48Å; F50-V54 WeakPolarHBondContact O-CG2 3.32Å; F50-V54 PolarHBondContact O-N 2.86Å; W51-V54 HydrophobicContact CE3-CB 4.07Å; W51-V54 HydrophobicContact CE3-CG1 4.03Å; W51-V54 HydrophobicContact CE3-CG2 4.25Å; W51-V54 HydrophobicContact CZ3-CG1 4.06Å; W51-V54 PolarHBondContact O-N 3.38Å; V54-N58 PolarHBondContact O-N 2.9Å; V54-V59 HydrophobicContact CB-CB 4.34Å; V54-V59 HydrophobicContact CG1-CB 3.97Å; V54-V59 HydrophobicContact CG1-CG1 4.33Å; V54-V59 PolarHBondContact O-N 3.4Å; V54-L62 HydrophobicContact CG2-CD2 3.82Å; V54-I110 HydrophobicContact CG1-CD1 3.9Å; V54-V121 HydrophobicContact CG1-CG1 4.45Å; V54-V121 HydrophobicContact CG1-CG2 4.03Å
55W98.4Very high98.1Very high19 Ų1924.4 Ų24.47%0.07213%0.134CC..Hα-helixtrans-64.7-57.3177-177.2-92.3000112.9W51 R52 M53 K57 N58 I90 I110 N112 E117 R119W51-W55 PolarHBondContact O-N 2.93Å; R52-W55 PolarHBondContact O-N 3.38Å; M53-W55 VanDerWaalsContact C-N 3.27Å; M53-W55 PolarHBondContact O-N 3.45Å; W55-K57 VanDerWaalsContact C-N 3.27Å; W55-K57 PolarHBondContact O-N 2.98Å; W55-N58 PolarHBondContact O-N 3.11Å; W55-N58 VanDerWaalsContact O-N 3.11Å; W55-I90 HydrophobicContact CB-CD1 3.69Å; W55-I90 HydrophobicContact CB-CG1 4.31Å; W55-I90 HydrophobicContact CD2-CD1 3.87Å; W55-I90 HydrophobicContact CE3-CD1 4.21Å; W55-I90 HydrophobicContact CG-CD1 3.58Å; W55-I110 HydrophobicContact CE3-CD1 3.69Å; W55-I110 HydrophobicContact CE3-CG1 3.81Å; W55-I110 HydrophobicContact CZ3-CD1 4.29Å; W55-I110 HydrophobicContact CZ3-CG1 3.95Å; W55-N112 HydrophobicContact CD2-CB 3.93Å; W55-N112 VanDerWaalsContact CE2-CB 3.43Å; W55-N112 HydrophobicContact CE3-CB 4.18Å; W55-N112 HydrophobicContact CH2-CB 3.58Å; W55-N112 HydrophobicContact CZ2-CB 3.26Å; W55-N112 HydrophobicContact CZ3-CB 4.02Å; W55-N112 PolarHBondContact NE1-ND2 2.85Å; W55-N112 VanDerWaalsContact NE1-ND2 3.14Å; W55-E117 HydrophobicContact CH2-CB 3.71Å; W55-E117 HydrophobicContact CH2-CG 3.82Å; W55-E117 VanDerWaalsContact CH2-O 3.26Å; W55-E117 WeakPolarHBondContact CH2-O 3.37Å; W55-E117 HydrophobicContact CZ2-CB 3.97Å; W55-E117 HydrophobicContact CZ2-CG 4.22Å; W55-E117 WeakPolarHBondContact CZ2-OE2 3.4Å; W55-R119 HydrophobicContact CH2-CG 3.99Å; W55-R119 HydrophobicContact CZ3-CB 4.25Å; W55-R119 HydrophobicContact CZ3-CG 3.87Å; W55-R119 PolarHBondContact O-NH1 3.25Å
56E97.8Very high98Very high53 Ų5320.5 Ų20.525%0.24810%0.101CC..Hα-helixtrans-63-34-174-75.4-173.6-16500113L10 S11 R52 M53L10-E56 VanDerWaalsContact CA-OE2 3.31Å; L10-E56 WeakPolarHBondContact CA-OE2 3.47Å; S11-E56 WeakPolarHBondContact CB-OE1 3.49Å; S11-E56 PolarHBondContact N-OE1 2.99Å; S11-E56 PolarHBondContact N-OE2 2.53Å; S11-E56 PolarHBondContact OG-OE1 2.89Å; R52-E56 HydrophobicContact CG-CG 4.28Å; R52-E56 IonicContact NE-OE1 3.39Å; R52-E56 WeakPolarHBondContact O-CB 3.45Å; R52-E56 WeakPolarHBondContact O-CG 3.42Å; R52-E56 PolarHBondContact O-N 3.15Å; M53-E56 PolarHBondContact O-N 2.99Å
57K98Very high97.9Very high40 Ų4023 Ų2317%0.17411%0.105CC..THydrogen-bonded Turntrans-92.211.7-178.3-50.3-42.3173.2-144.70112.2V8 K9 Y26 I37 M53 W55 V59 P160V8-K57 HydrophobicContact CG1-CD 4.27Å; V8-K57 HydrophobicContact CG1-CG 3.96Å; K9-K57 WeakPolarHBondContact O-CE 3.42Å; K9-K57 PolarHBondContact O-NZ 3.21Å; Y26-K57 WeakPolarHBondContact OH-CD 3.46Å; I37-K57 HydrophobicContact CD1-CB 4.02Å; I37-K57 HydrophobicContact CD1-CG 4.2Å; M53-K57 HydrophobicContact CG-CG 4.08Å; M53-K57 WeakPolarHBondContact O-CB 3.36Å; M53-K57 WeakPolarHBondContact O-CG 3.47Å; M53-K57 PolarHBondContact O-N 3.49Å; W55-K57 VanDerWaalsContact C-N 3.27Å; W55-K57 PolarHBondContact O-N 2.98Å; K57-V59 HydrophobicContact CB-CG2 4.05Å; K57-V59 PolarHBondContact O-N 3.42Å; K57-P160 HydrophobicContact CB-CG 4.37Å; K57-P160 WeakPolarHBondContact O-CD 3.22Å
58N97.4Very high97.9Very high63 Ų6323.9 Ų23.934%0.33711%0.111SC..THydrogen-bonded Turntrans52.138178.3-172.241000112V54 W55 Q60 S159V54-N58 PolarHBondContact O-N 2.9Å; W55-N58 PolarHBondContact O-N 3.11Å; W55-N58 VanDerWaalsContact O-N 3.11Å; N58-Q60 PolarHBondContact O-N 2.83Å; N58-S159 VanDerWaalsContact O-CB 3.25Å; N58-S159 WeakPolarHBondContact O-CB 2.94Å; N58-S159 PolarHBondContact O-OG 3.49Å
59V98.5Very high97.7Very high3 Ų325.4 Ų25.42%0.01812%0.119CC..  trans-71.4130-176.6174.50000108.8I37 V54 K57 T61 L62 V121 S159 P160 V162I37-V59 HydrophobicContact CD1-CG2 4.36Å; V54-V59 HydrophobicContact CB-CB 4.34Å; V54-V59 HydrophobicContact CG1-CB 3.97Å; V54-V59 HydrophobicContact CG1-CG1 4.33Å; V54-V59 PolarHBondContact O-N 3.4Å; K57-V59 HydrophobicContact CB-CG2 4.05Å; K57-V59 PolarHBondContact O-N 3.42Å; V59-T61 VanDerWaalsContact CG1-O 3.28Å; V59-T61 WeakPolarHBondContact CG1-O 3.4Å; V59-L62 HydrophobicContact CG1-CD2 3.88Å; V59-V121 WeakPolarHBondContact O-CG2 3.14Å; V59-S159 WeakPolarHBondContact CA-OG 3.45Å; V59-P160 HydrophobicContact CG2-CG 4.32Å; V59-V162 HydrophobicContact CB-CG2 4.27Å; V59-V162 HydrophobicContact CG1-CB 4.22Å; V59-V162 HydrophobicContact CG1-CG2 3.72Å; V59-V162 HydrophobicContact CG2-CG2 3.6Å
60Q98.5Very high97.4Very high51 Ų5123.4 Ų23.424%0.23811%0.11CC..  trans-113.7-18.4176.8-66.1173.1-4.900112.7N58 V121 R122 Y155 S159N58-Q60 PolarHBondContact O-N 2.83Å; Q60-V121 CarbonylContact O-C 3.6Å; Q60-V121 WeakPolarHBondContact O-CA 3.48Å; Q60-R122 PolarHBondContact O-N 2.97Å; Q60-Y155 PolarHBondContact OE1-O 3.22Å; Q60-S159 PolarHBondContact N-OG 3.29Å
61T98.8Very high96.9Very high0 Ų028.7 Ų28.70%014%0.135CC..EExtended strand (participates in β ladder)trans-123.5124.4-179-56.70000109.9V59 V63 R122 F124 V148 H151 M152 S156 T161 V162V59-T61 VanDerWaalsContact CG1-O 3.28Å; V59-T61 WeakPolarHBondContact CG1-O 3.4Å; T61-V63 HydrophobicContact CG2-CG2 4.34Å; T61-R122 WeakPolarHBondContact CA-O 3.37Å; T61-F124 HydrophobicContact CG2-CD2 3.9Å; T61-F124 HydrophobicContact CG2-CE2 3.87Å; T61-V148 HydrophobicContact CG2-CG1 4.18Å; T61-H151 PolarHBondContact OG1-CD2 2.8Å; T61-H151 VanDerWaalsContact OG1-CD2 3.3Å; T61-M152 HydrophobicContact CG2-CG 4.22Å; T61-S156 PolarHBondContact OG1-OG 3.49Å; T61-T161 WeakPolarHBondContact CB-OG1 3.43Å; T61-T161 HydrophobicContact CG2-CG2 3.64Å; T61-V162 PolarHBondContact O-N 2.86Å
62L98.9Very high96.4Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-111.7133171.2-64.9179.3000109.6F50 W51 V54 V59 Y79 F108 V121 R122 H123 F124 V162F50-L62 HydrophobicContact CE1-CD1 4.39Å; F50-L62 HydrophobicContact CE1-CD2 4.37Å; F50-L62 HydrophobicContact CZ-CD2 4.15Å; W51-L62 HydrophobicContact CH2-CD1 4.08Å; W51-L62 HydrophobicContact CZ3-CD1 4.2Å; V54-L62 HydrophobicContact CG2-CD2 3.82Å; V59-L62 HydrophobicContact CG1-CD2 3.88Å; L62-Y79 HydrophobicContact CD1-CE2 4.13Å; L62-F108 HydrophobicContact CD1-CE2 4.48Å; L62-V121 HydrophobicContact CD1-CG1 3.86Å; L62-V121 HydrophobicContact CG-CG1 3.74Å; L62-R122 PolarHBondContact N-O 2.74Å; L62-H123 HydrophobicContact CB-CB 4.09Å; L62-H123 HydrophobicContact CD1-CB 4.43Å; L62-H123 CarbonylContact O-C 3.58Å; L62-H123 WeakPolarHBondContact O-CA 3.37Å; L62-F124 PolarHBondContact O-N 3.06Å; L62-V162 CarbonylContact C-O 3.51Å; L62-V162 HydrophobicContact CD2-CB 3.62Å; L62-V162 HydrophobicContact CD2-CG1 4.01Å; L62-V162 HydrophobicContact CD2-CG2 4.17Å
63V98.9Very high96Very high0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-121115.4173.8-1770000109T61 L65 F124 F144 V148 T161 V162 V163 H164 F175T61-V63 HydrophobicContact CG2-CG2 4.34Å; V63-L65 HydrophobicContact CG1-CD2 3.81Å; V63-L65 HydrophobicContact CG1-CG 4.05Å; V63-F124 CarbonylContact C-O 3.54Å; V63-F124 WeakPolarHBondContact CA-O 3.36Å; V63-F144 HydrophobicContact CG1-CE1 3.73Å; V63-F144 HydrophobicContact CG1-CZ 4.09Å; V63-V148 HydrophobicContact CG2-CG1 3.69Å; V63-V148 HydrophobicContact CG2-CG2 4.06Å; V63-T161 HydrophobicContact CG2-CG2 3.84Å; V63-V162 PolarHBondContact N-O 3.36Å; V63-V163 HydrophobicContact CB-CB 4.37Å; V63-V163 HydrophobicContact CB-CG1 4.14Å; V63-V163 HydrophobicContact CB-CG2 4.15Å; V63-V163 HydrophobicContact CG1-CG1 4.16Å; V63-V163 HydrophobicContact CG2-CG2 4.37Å; V63-V163 CarbonylContact O-C 3.6Å; V63-V163 WeakPolarHBondContact O-CA 3.35Å; V63-H164 PolarHBondContact O-CD2 2.63Å; V63-H164 PolarHBondContact O-N 3.36Å; V63-F175 HydrophobicContact CG1-CE1 4.27Å; V63-F175 HydrophobicContact CG1-CE2 4.41Å; V63-F175 HydrophobicContact CG1-CZ 4.2Å; V63-F175 HydrophobicContact CG2-CE1 4.4Å; V63-F175 HydrophobicContact CG2-CZ 4.45Å
64M98.7Very high95.8Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-108.4122.2177.4179.1167.7-179.500109.8T66 C76 Y79 W80 H123 F124 H125 F126 H164M64-T66 HydrophobicContact CE-CG2 4.37Å; M64-T66 WeakPolarHBondContact CE-O 3.12Å; M64-T66 WeakPolarHBondContact CG-O 3.4Å; M64-C76 HydrophobicContact CE-CB 3.92Å; M64-Y79 HydrophobicContact SD-CE1 4.05Å; M64-W80 HydrophobicContact CE-CH2 3.63Å; M64-W80 HydrophobicContact CE-CZ3 3.89Å; M64-W80 HydrophobicContact SD-CH2 3.49Å; M64-W80 WeakPolarHBondContact SD-CH2 3.25Å; M64-W80 HydrophobicContact SD-CZ3 3.52Å; M64-W80 VanDerWaalsContact SD-CZ3 3.52Å; M64-H123 WeakPolarHBondContact CB-NE2 3.25Å; M64-F124 PolarHBondContact N-O 2.95Å; M64-H125 HydrophobicContact CB-CB 4.31Å; M64-H125 CarbonylContact O-C 3.56Å; M64-H125 WeakPolarHBondContact O-CA 3.34Å; M64-F126 PolarHBondContact O-N 3.41Å; M64-H164 WeakPolarHBondContact CB-NE2 3.5Å; M64-H164 WeakPolarHBondContact CG-CE1 3.45Å
65L97.3Very high95.7Very high0 Ų046.1 Ų46.10%023%0.234CC..  trans-112.924.4-172.9-58.2169.7000112.7V63 F126 F144 V163 H164 C165 R171 F175V63-L65 HydrophobicContact CG1-CD2 3.81Å; V63-L65 HydrophobicContact CG1-CG 4.05Å; L65-F126 HydrophobicContact CD2-CB 3.9Å; L65-F144 HydrophobicContact CD2-CE1 3.97Å; L65-V163 HydrophobicContact CD1-CG1 3.69Å; L65-V163 HydrophobicContact CG-CG1 4.44Å; L65-H164 PolarHBondContact N-O 2.91Å; L65-C165 HydrophobicContact CB-CB 4.14Å; L65-R171 HydrophobicContact CB-CB 3.93Å; L65-R171 HydrophobicContact CD1-CB 4.22Å; L65-R171 WeakPolarHBondContact CD1-O 3.3Å; L65-R171 WeakPolarHBondContact O-CD 3.25Å; L65-R171 PolarHBondContact O-NH1 2.82Å; L65-F175 HydrophobicContact CD1-CB 3.58Å; L65-F175 HydrophobicContact CD1-CG 4.12Å; L65-F175 HydrophobicContact CD2-CD2 4.24Å; L65-F175 HydrophobicContact CD2-CG 4.5Å
66T94.9Very high95.7Very high2 Ų245.3 Ų45.31%0.01223%0.231CC..SBendtrans-152.1146.9179.3-167.70000109.5M64 E70 K75 C76 H125 R171M64-T66 HydrophobicContact CE-CG2 4.37Å; M64-T66 WeakPolarHBondContact CE-O 3.12Å; M64-T66 WeakPolarHBondContact CG-O 3.4Å; T66-E70 WeakPolarHBondContact CA-OE1 3.49Å; T66-E70 PolarHBondContact OG1-OE1 3.21Å; T66-K75 HydrophobicContact CG2-CB 4.22Å; T66-K75 WeakPolarHBondContact OG1-CB 3.37Å; T66-C76 HydrophobicContact CG2-CB 4.01Å; T66-H125 PolarHBondContact O-NE2 2.89Å; T66-R171 PolarHBondContact OG1-NH1 2.79Å
67R96.1Very high95.7Very high100 Ų10046.1 Ų46.138%0.37724%0.235SC..  trans-71.8156.1166.6-63.3-177.5-179.688.9-4.4109.2N69 E70 K75 T127R67-N69 WeakPolarHBondContact CB-O 3.39Å; R67-N69 PolarHBondContact O-N 3.09Å; R67-E70 HydrophobicContact CB-CG 4.03Å; R67-E70 PolarHBondContact N-OE1 2.84Å; R67-E70 VanDerWaalsContact N-OE1 3.08Å; R67-K75 WeakPolarHBondContact O-CB 3.18Å; R67-T127 PolarHBondContact NH1-O 3.22Å; R67-T127 VanDerWaalsContact NH1-O 3.08Å; R67-T127 PolarHBondContact NH2-O 3.21Å
68C96.8Very high95.7Very high30 Ų3048.8 Ų48.820%0.20325%0.248CC..SBendtrans-58.5-35.2174.8-69.20000112.4V74 K75 C76C68-V74 WeakPolarHBondContact O-CA 3.39Å; C68-K75 PolarHBondContact O-N 2.92Å; C68-C76 VanDerWaalsContact CA-O 3.23Å; C68-C76 WeakPolarHBondContact CA-O 3.34Å; C68-C76 WeakPolarHBondContact CB-O 3.32Å; C68-C76 PolarHBondContact O-N 2.83Å; C68-C76 PolarHBondContact SG-O 3.44Å
69N94.6Very high95.8Very high84 Ų8445.8 Ų45.845%0.44923%0.232SC..EExtended strand (participates in β ladder)trans-128.7132.3175.3-165.9-53.4000110.1R67 G72 R73R67-N69 WeakPolarHBondContact CB-O 3.39Å; R67-N69 PolarHBondContact O-N 3.09Å; N69-G72 WeakPolarHBondContact OD1-CA 3.16Å; N69-G72 PolarHBondContact OD1-N 3.49Å; N69-R73 WeakPolarHBondContact CA-O 3.1Å; N69-R73 PolarHBondContact OD1-N 3.5Å
70E90.3Very high95.7Very high7 Ų746.3 Ų46.33%0.03323%0.234CC..EExtended strand (participates in β ladder)trans-131.4119.3174.4-66.5179.6-174.700107.7T66 R67 G72 R73 K75 D131 R171T66-E70 WeakPolarHBondContact CA-OE1 3.49Å; T66-E70 PolarHBondContact OG1-OE1 3.21Å; R67-E70 HydrophobicContact CB-CG 4.03Å; R67-E70 PolarHBondContact N-OE1 2.84Å; R67-E70 VanDerWaalsContact N-OE1 3.08Å; E70-G72 VanDerWaalsContact C-N 3.31Å; E70-G72 PolarHBondContact O-N 3.35Å; E70-R73 PolarHBondContact N-O 3.49Å; E70-R73 WeakPolarHBondContact O-CB 3.48Å; E70-R73 PolarHBondContact O-N 2.89Å; E70-K75 HydrophobicContact CB-CG 3.89Å; E70-K75 HydrophobicContact CG-CG 3.94Å; E70-K75 WeakPolarHBondContact OE2-CE 3.39Å; E70-D131 WeakPolarHBondContact CB-OD1 3.47Å; E70-D131 WeakPolarHBondContact CG-OD1 3.17Å; E70-R171 IonicContact OE1-CZ 3.66Å; E70-R171 IonicContact OE1-NH1 3.67Å; E70-R171 PolarHBondContact OE1-NH1 3.2Å; E70-R171 IonicContact OE1-NH2 3.46Å; E70-R171 PolarHBondContact OE1-NH2 3.3Å; E70-R171 IonicContact OE2-CZ 2.72Å; E70-R171 IonicContact OE2-NH1 2.97Å; E70-R171 PolarHBondContact OE2-NH1 2.87Å; E70-R171 IonicContact OE2-NH2 3.14Å; E70-R171 PolarHBondContact OE2-NH2 2.82Å
71Q86.9Confident95.6Very high116 Ų11644.1 Ų44.154%0.54222%0.224SC..THydrogen-bonded Turntrans52.241.6-178.3-54.1-176.3-0.200114.8R73 D131 H132Q71-R73 PolarHBondContact O-N 3.14Å; Q71-D131 HydrophobicContact CG-CB 4.04Å; Q71-D131 WeakPolarHBondContact CG-OD2 3.3Å; Q71-D131 PolarHBondContact NE2-OD2 2.85Å; Q71-H132 PolarHBondContact NE2-CD2 3.23Å; Q71-H132 PolarHBondContact NE2-NE2 2.87Å; Q71-H132 PolarHBondContact OE1-CE1 3.18Å; Q71-H132 PolarHBondContact OE1-NE2 3.45Å
72G88.3Confident95.5Very high66 Ų6649.2 Ų49.268%0.6826%0.257SS*.THydrogen-bonded Turntrans76.64.4179.800000113.9N69 E70N69-G72 WeakPolarHBondContact OD1-CA 3.16Å; N69-G72 PolarHBondContact OD1-N 3.49Å; E70-G72 VanDerWaalsContact C-N 3.31Å; E70-G72 PolarHBondContact O-N 3.35Å
73R90.6Very high95.3Very high185 Ų18551.1 Ų51.170%0.69828%0.277SS*.EExtended strand (participates in β ladder)trans-105129.2175.8-62.7-177.6178.7-1800.2110N69 E70 Q71 K75N69-R73 WeakPolarHBondContact CA-O 3.1Å; N69-R73 PolarHBondContact OD1-N 3.5Å; E70-R73 PolarHBondContact N-O 3.49Å; E70-R73 WeakPolarHBondContact O-CB 3.48Å; E70-R73 PolarHBondContact O-N 2.89Å; Q71-R73 PolarHBondContact O-N 3.14Å; R73-K75 PolarHBondContact O-N 3.34Å
74V94.4Very high95.3Very high105 Ų10554 Ų5464%0.63630%0.295SS*.EExtended strand (participates in β ladder)trans-68.1121.9171.9-179.20000108.8C68C68-V74 WeakPolarHBondContact O-CA 3.39Å
75K95.6Very high95.3Very high44 Ų4458 Ų5819%0.19131%0.312CS..  trans-104.2-31.7177.3-66.9-69.9-169.1165.10111.8T66 R67 C68 E70 R73 S166 E211T66-K75 HydrophobicContact CG2-CB 4.22Å; T66-K75 WeakPolarHBondContact OG1-CB 3.37Å; R67-K75 WeakPolarHBondContact O-CB 3.18Å; C68-K75 PolarHBondContact O-N 2.92Å; E70-K75 HydrophobicContact CB-CG 3.89Å; E70-K75 HydrophobicContact CG-CG 3.94Å; E70-K75 WeakPolarHBondContact OE2-CE 3.39Å; R73-K75 PolarHBondContact O-N 3.34Å; K75-S166 WeakPolarHBondContact O-CA 3.48Å; K75-S166 VanDerWaalsContact O-CB 3.28Å; K75-S166 WeakPolarHBondContact O-CB 3.26Å; K75-S166 PolarHBondContact O-OG 2.92Å; K75-E211 IonicContact NZ-OE1 2.74Å; K75-E211 PolarHBondContact NZ-OE1 3.02Å
76C97.8Very high95.3Very high2 Ų266 Ų661%0.01434%0.344CS..SBendtrans-155.6133.7-177.1-177.40000109.2P42 M64 T66 C68P42-C76 VanDerWaalsContact CD-SG 3.57Å; M64-C76 HydrophobicContact CE-CB 3.92Å; T66-C76 HydrophobicContact CG2-CB 4.01Å; C68-C76 VanDerWaalsContact CA-O 3.23Å; C68-C76 WeakPolarHBondContact CA-O 3.34Å; C68-C76 WeakPolarHBondContact CB-O 3.32Å; C68-C76 PolarHBondContact O-N 2.83Å; C68-C76 PolarHBondContact SG-O 3.44Å
77E98.3Very high95.4Very high70 Ų7067.1 Ų67.133%0.32735%0.348SS..  trans-65144.6169.1-173.952.8-136.300109.8P42 P44 V47 Y79P42-E77 VanDerWaalsContact O-CB 3.22Å; P42-E77 WeakPolarHBondContact O-CB 3.37Å; P42-E77 PolarHBondContact O-N 2.79Å; P44-E77 HydrophobicContact CG-CG 4.31Å; V47-E77 HydrophobicContact CG2-CB 4.06Å; V47-E77 HydrophobicContact CG2-CG 3.72Å; E77-Y79 WeakPolarHBondContact O-CD1 3.43Å; E77-Y79 PolarHBondContact O-N 2.78Å
78Q98.3Very high95.3Very high97 Ų9767.4 Ų67.445%0.45335%0.354SS..  trans-7797.1175.7-166.3-177-54.500109.3W80Q78-W80 HydrophobicContact CG-CD2 3.84Å; Q78-W80 HydrophobicContact CG-CE3 4.04Å; Q78-W80 HydrophobicContact CG-CG 4.44Å; Q78-W80 HydrophobicContact CG-CH2 4.04Å; Q78-W80 HydrophobicContact CG-CZ2 3.84Å; Q78-W80 HydrophobicContact CG-CZ3 4.13Å; Q78-W80 WeakPolarHBondContact CG-O 3.36Å; Q78-W80 PolarHBondContact NE2-O 2.85Å; Q78-W80 PolarHBondContact O-N 3.14Å
79Y98.5Very high95.2Very high0 Ų068.5 Ų68.50%036%0.357CS..  trans-85.815-177.262.3-91.9000113.5P42 F50 W51 L62 M64 E77 Y87 H123 H164P42-Y79 HydrophobicContact CB-CD1 4.13Å; P42-Y79 HydrophobicContact CB-CG 4.43Å; P42-Y79 HydrophobicContact CG-CD1 3.54Å; P42-Y79 HydrophobicContact CG-CE1 4.1Å; P42-Y79 HydrophobicContact CG-CG 3.91Å; F50-Y79 HydrophobicContact CD1-CD2 4.01Å; F50-Y79 HydrophobicContact CD1-CE2 4.24Å; F50-Y79 HydrophobicContact CD1-CG 4.36Å; F50-Y79 AromaticContact CE1-CD2 3.78Å; F50-Y79 HydrophobicContact CE1-CD2 3.78Å; F50-Y79 HydrophobicContact CE1-CE1 4.44Å; F50-Y79 AromaticContact CE1-CE2 3.53Å; F50-Y79 HydrophobicContact CE1-CE2 3.53Å; F50-Y79 HydrophobicContact CE1-CG 4.35Å; F50-Y79 AromaticContact CE1-CZ 3.87Å; F50-Y79 HydrophobicContact CZ-CE2 4.28Å; W51-Y79 AromaticContact CE2-CD2 3.82Å; W51-Y79 VanDerWaalsContact CE2-O 3.32Å; W51-Y79 HydrophobicContact CH2-CD2 4.41Å; W51-Y79 HydrophobicContact CH2-CE2 4.42Å; W51-Y79 AromaticContact CZ2-CD2 3.57Å; W51-Y79 HydrophobicContact CZ2-CD2 3.57Å; W51-Y79 AromaticContact CZ2-CE2 3.99Å; W51-Y79 HydrophobicContact CZ2-CE2 3.99Å; W51-Y79 WeakPolarHBondContact CZ2-O 3.46Å; W51-Y79 AromaticContact NE1-CD2 3.91Å; W51-Y79 PolarHBondContact NE1-O 2.99Å; L62-Y79 HydrophobicContact CD1-CE2 4.13Å; M64-Y79 HydrophobicContact SD-CE1 4.05Å; E77-Y79 WeakPolarHBondContact O-CD1 3.43Å; E77-Y79 PolarHBondContact O-N 2.78Å; Y79-Y87 VanDerWaalsContact C-OH 3.3Å; Y79-Y87 PolarHBondContact O-OH 2.96Å; Y79-H123 PolarHBondContact OH-NE2 2.84Å; Y79-H164 AromaticContact CE1-CE1 3.65Å; Y79-H164 AromaticContact CE1-NE2 3.49Å; Y79-H164 WeakPolarHBondContact CE1-NE2 3.37Å; Y79-H164 AromaticContact CZ-NE2 3.54Å; Y79-H164 PolarHBondContact OH-NE2 2.73Å
80W98.4Very high95.4Very high14 Ų1464.8 Ų64.85%0.05334%0.337CS..  trans-140.7170.9177.569.493.6000110.5M64 Q78 R106 F108M64-W80 HydrophobicContact CE-CH2 3.63Å; M64-W80 HydrophobicContact CE-CZ3 3.89Å; M64-W80 HydrophobicContact SD-CH2 3.49Å; M64-W80 WeakPolarHBondContact SD-CH2 3.25Å; M64-W80 HydrophobicContact SD-CZ3 3.52Å; M64-W80 VanDerWaalsContact SD-CZ3 3.52Å; Q78-W80 HydrophobicContact CG-CD2 3.84Å; Q78-W80 HydrophobicContact CG-CE3 4.04Å; Q78-W80 HydrophobicContact CG-CG 4.44Å; Q78-W80 HydrophobicContact CG-CH2 4.04Å; Q78-W80 HydrophobicContact CG-CZ2 3.84Å; Q78-W80 HydrophobicContact CG-CZ3 4.13Å; Q78-W80 WeakPolarHBondContact CG-O 3.36Å; Q78-W80 PolarHBondContact NE2-O 2.85Å; Q78-W80 PolarHBondContact O-N 3.14Å; W80-R106 VanDerWaalsContact NE1-CZ 3.29Å; W80-R106 VanDerWaalsContact NE1-NE 3.15Å; W80-F108 HydrophobicContact CB-CE1 3.91Å; W80-F108 HydrophobicContact CB-CZ 3.72Å; W80-F108 HydrophobicContact CG-CE1 4.43Å; W80-F108 HydrophobicContact CG-CZ 4.07Å
81G96.1Very high95.8Very high4 Ų465.6 Ų65.64%0.04134%0.342CS..  trans-170.6174.417300000113.2T94G81-T94 WeakPolarHBondContact O-CB 3.38Å; G81-T94 PolarHBondContact O-OG1 3.26Å
82P95.1Very high96.4Very high107 Ų10760.2 Ų60.270%0.69532%0.316SS*.SBendtrans-63.9144.2178.127.5-34.8000111
83G96.1Very high96.9Very high40 Ų4059 Ų5941%0.41230%0.296SS..SBendtrans66.1-141.2-178.300000112.4T93 T94G83-T93 WeakPolarHBondContact O-CA 3.49Å; G83-T94 PolarHBondContact O-N 2.95Å
84T98.1Very high97.2Very high61 Ų6151.3 Ų51.337%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-100.6132.3-175.4-59.20000111.6Y86 I91 V92 T93T84-Y86 HydrophobicContact CG2-CE2 4.05Å; T84-I91 HydrophobicContact CG2-CG2 3.23Å; T84-V92 CarbonylContact C-O 3.49Å; T84-V92 WeakPolarHBondContact CA-O 3.3Å; T84-T93 PolarHBondContact OG1-OG1 3.04Å
85K98.3Very high97.4Very high84 Ų8450 Ų5037%0.36526%0.262SS..EExtended strand (participates in β ladder)trans-122150.4174.3-61.3-61.7179.3-176.60110.4Y87 I91 V92K85-Y87 HydrophobicContact CB-CD2 4.38Å; K85-Y87 HydrophobicContact CB-CE2 3.53Å; K85-I91 CarbonylContact O-C 3.52Å; K85-I91 WeakPolarHBondContact O-CA 3.46Å; K85-V92 PolarHBondContact N-O 3.3Å; K85-V92 PolarHBondContact O-N 3.45Å
86Y98Very high97.6Very high169 Ų16949.6 Ų49.666%0.66327%0.265SS*.EExtended strand (participates in β ladder)trans-116.5123-176-62.1-97.4000109T84 I91T84-Y86 HydrophobicContact CG2-CE2 4.05Å; Y86-I91 HydrophobicContact CD1-CD1 4.07Å; Y86-I91 HydrophobicContact CD1-CG1 3.73Å; Y86-I91 HydrophobicContact CE1-CD1 3.69Å; Y86-I91 HydrophobicContact CE1-CG1 3.86Å; Y86-I91 HydrophobicContact CE1-CG2 4.46Å
87Y96.9Very high97.6Very high25 Ų2554 Ų5410%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-127.481178.9-56.8-72.5000107.6V47 W51 Y79 K85 D89 I90 V92V47-Y87 HydrophobicContact CG1-CD1 3.5Å; V47-Y87 VanDerWaalsContact CG1-CD1 3.5Å; V47-Y87 HydrophobicContact CG1-CE1 3.32Å; V47-Y87 HydrophobicContact CG1-CG 4.47Å; W51-Y87 AromaticContact CD1-CD1 3.91Å; W51-Y87 AromaticContact CD1-CD2 3.3Å; W51-Y87 AromaticContact CD1-CE2 3.61Å; W51-Y87 AromaticContact CD1-CG 3.45Å; W51-Y87 VanDerWaalsContact CD1-CG 3.45Å; W51-Y87 AromaticContact CG-CD2 3.96Å; W51-Y87 HydrophobicContact CG-CD2 3.96Å; W51-Y87 HydrophobicContact CG-CE2 4.48Å; W51-Y87 HydrophobicContact CG-CG 4.22Å; W51-Y87 AromaticContact NE1-CD2 3.56Å; W51-Y87 AromaticContact NE1-CE2 3.33Å; W51-Y87 VanDerWaalsContact NE1-CE2 3.33Å; W51-Y87 AromaticContact NE1-CZ 3.7Å; Y79-Y87 VanDerWaalsContact C-OH 3.3Å; Y79-Y87 PolarHBondContact O-OH 2.96Å; K85-Y87 HydrophobicContact CB-CD2 4.38Å; K85-Y87 HydrophobicContact CB-CE2 3.53Å; Y87-D89 PolarHBondContact O-N 3.45Å; Y87-D89 VanDerWaalsContact O-N 3.15Å; Y87-I90 CarbonylContact C-O 3.59Å; Y87-I90 PolarHBondContact N-O 2.94Å; Y87-I90 PolarHBondContact O-N 3.34Å; Y87-V92 HydrophobicContact CD2-CB 4.1Å; Y87-V92 HydrophobicContact CD2-CG2 3.56Å; Y87-V92 HydrophobicContact CE2-CB 3.87Å; Y87-V92 HydrophobicContact CE2-CG2 3.76Å
88E94.1Very high97.6Very high106 Ų10655 Ų5550%0.49529%0.292SS..THydrogen-bonded Turntrans52.7-115-170-64.6170.9-170.300111.8N48 I90N48-E88 HydrophobicContact CB-CG 4.12Å; N48-E88 WeakPolarHBondContact ND2-CG 3.41Å; N48-E88 PolarHBondContact ND2-OE1 3.17Å; E88-I90 VanDerWaalsContact C-N 3.27Å; E88-I90 PolarHBondContact O-N 2.88Å
89D95Very high97.6Very high53 Ų5357.7 Ų57.728%0.28330%0.304SS..THydrogen-bonded Turntrans-81.7-4.4-178.3-65.9-48.1000113.7Y87 N112 V113 K114Y87-D89 PolarHBondContact O-N 3.45Å; Y87-D89 VanDerWaalsContact O-N 3.15Å; D89-N112 WeakPolarHBondContact O-CA 3.46Å; D89-V113 HydrophobicContact CB-CG2 3.88Å; D89-V113 WeakPolarHBondContact O-CG2 3.28Å; D89-V113 PolarHBondContact O-N 3.22Å; D89-K114 VanDerWaalsContact CG-CE 3.4Å; D89-K114 VanDerWaalsContact OD1-CE 3.25Å; D89-K114 WeakPolarHBondContact OD1-CE 3.38Å; D89-K114 IonicContact OD1-NZ 2.69Å; D89-K114 WeakPolarHBondContact OD2-CE 3.32Å; D89-K114 IonicContact OD2-NZ 2.86Å; D89-K114 PolarHBondContact OD2-NZ 3.17Å
90I98.3Very high97.5Very high5 Ų561.6 Ų61.63%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-109.1118.7-178.9-52.3-57.8000109.4W51 W55 Y87 E88 V92 I110 K111 N112W51-I90 HydrophobicContact CB-CB 4.34Å; W51-I90 HydrophobicContact CB-CG2 4.2Å; W55-I90 HydrophobicContact CB-CD1 3.69Å; W55-I90 HydrophobicContact CB-CG1 4.31Å; W55-I90 HydrophobicContact CD2-CD1 3.87Å; W55-I90 HydrophobicContact CE3-CD1 4.21Å; W55-I90 HydrophobicContact CG-CD1 3.58Å; Y87-I90 CarbonylContact C-O 3.59Å; Y87-I90 PolarHBondContact N-O 2.94Å; Y87-I90 PolarHBondContact O-N 3.34Å; E88-I90 VanDerWaalsContact C-N 3.27Å; E88-I90 PolarHBondContact O-N 2.88Å; I90-V92 HydrophobicContact CG2-CG2 4.07Å; I90-I110 HydrophobicContact CG2-CB 4.32Å; I90-K111 WeakPolarHBondContact CA-O 3.36Å; I90-N112 HydrophobicContact CD1-CB 4.17Å
91I98.6Very high97.2Very high25 Ų2569.4 Ų69.413%0.12836%0.362CS..EExtended strand (participates in β ladder)trans-95.4128.2171-59.9177.2000107.6T84 K85 Y86 I110 K111 V113T84-I91 HydrophobicContact CG2-CG2 3.23Å; K85-I91 CarbonylContact O-C 3.52Å; K85-I91 WeakPolarHBondContact O-CA 3.46Å; Y86-I91 HydrophobicContact CD1-CD1 4.07Å; Y86-I91 HydrophobicContact CD1-CG1 3.73Å; Y86-I91 HydrophobicContact CE1-CD1 3.69Å; Y86-I91 HydrophobicContact CE1-CG1 3.86Å; Y86-I91 HydrophobicContact CE1-CG2 4.46Å; I91-I110 CarbonylContact O-C 3.44Å; I91-I110 VanDerWaalsContact O-CA 3.29Å; I91-I110 WeakPolarHBondContact O-CA 3.49Å; I91-K111 HydrophobicContact CB-CB 4.25Å; I91-K111 PolarHBondContact N-O 3.19Å; I91-K111 PolarHBondContact O-N 3.46Å; I91-V113 HydrophobicContact CD1-CG1 3.55Å; I91-V113 HydrophobicContact CG1-CG1 3.66Å
92V98.8Very high97.1Very high2 Ų271.5 Ų71.51%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-117.2120.6179-179.90000108.3W51 T84 K85 Y87 I90 F108 I110W51-V92 HydrophobicContact CD2-CG2 3.55Å; W51-V92 HydrophobicContact CE3-CG2 3.79Å; W51-V92 HydrophobicContact CG-CG2 3.99Å; W51-V92 HydrophobicContact CH2-CG1 3.77Å; W51-V92 HydrophobicContact CH2-CG2 4.21Å; W51-V92 HydrophobicContact CZ2-CB 4.41Å; W51-V92 HydrophobicContact CZ2-CG1 3.73Å; W51-V92 HydrophobicContact CZ2-CG2 3.99Å; W51-V92 HydrophobicContact CZ3-CG1 4.31Å; W51-V92 HydrophobicContact CZ3-CG2 4.12Å; T84-V92 CarbonylContact C-O 3.49Å; T84-V92 WeakPolarHBondContact CA-O 3.3Å; K85-V92 PolarHBondContact N-O 3.3Å; K85-V92 PolarHBondContact O-N 3.45Å; Y87-V92 HydrophobicContact CD2-CB 4.1Å; Y87-V92 HydrophobicContact CD2-CG2 3.56Å; Y87-V92 HydrophobicContact CE2-CB 3.87Å; Y87-V92 HydrophobicContact CE2-CG2 3.76Å; I90-V92 HydrophobicContact CG2-CG2 4.07Å; V92-F108 HydrophobicContact CG1-CB 4.13Å; V92-F108 HydrophobicContact CG1-CD1 4.08Å; V92-F108 HydrophobicContact CG1-CG 4.13Å; V92-I110 HydrophobicContact CB-CG2 4.48Å; V92-I110 HydrophobicContact CG1-CG2 4.26Å; V92-I110 HydrophobicContact CG2-CG2 3.98Å
93T98.8Very high97.2Very high41 Ų4168.3 Ų68.325%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-114.5121.4176.8-57.70000109.6G83 T84 T95 F108 D109G83-T93 WeakPolarHBondContact O-CA 3.49Å; T84-T93 PolarHBondContact OG1-OG1 3.04Å; T93-T95 PolarHBondContact O-N 2.68Å; T93-F108 CarbonylContact O-C 3.55Å; T93-F108 VanDerWaalsContact O-CA 3.28Å; T93-F108 WeakPolarHBondContact O-CA 3.48Å; T93-D109 PolarHBondContact N-O 3.03Å; T93-D109 PolarHBondContact O-N 3.42Å
94T98.8Very high97.3Very high24 Ų2466.6 Ų66.615%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-74.7114.6172.4-55.40000109.2G81 G83 F108G81-T94 WeakPolarHBondContact O-CB 3.38Å; G81-T94 PolarHBondContact O-OG1 3.26Å; G83-T94 PolarHBondContact O-N 2.95Å; T94-F108 HydrophobicContact CG2-CD1 4.37Å; T94-F108 HydrophobicContact CG2-CE1 4.17Å; T94-F108 WeakPolarHBondContact OG1-CE1 2.98Å
95T98.6Very high97.3Very high77 Ų7764.6 Ų64.647%0.47231%0.314SS..EExtended strand (participates in β ladder)trans-97.2-30-177.356.50000112.1T93 D107 D109T93-T95 PolarHBondContact O-N 2.68Å; T95-D107 PolarHBondContact N-O 2.85Å; T95-D107 WeakPolarHBondContact OG1-CB 3.34Å; T95-D107 PolarHBondContact OG1-O 3.44Å; T95-D109 HydrophobicContact CG2-CB 4.07Å
96S98.4Very high97.3Very high35 Ų3561.3 Ų61.325%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-146150.4173.2840000111.3R106 D107S96-R106 VanDerWaalsContact O-CA 3.32Å; S96-R106 WeakPolarHBondContact O-CA 3.3Å; S96-D107 PolarHBondContact N-O 2.94Å; S96-D107 PolarHBondContact O-N 2.78Å; S96-D107 VanDerWaalsContact OG-CB 3.28Å; S96-D107 WeakPolarHBondContact OG-CB 3.43Å; S96-D107 VanDerWaalsContact OG-CG 3.26Å; S96-D107 PolarHBondContact OG-N 2.98Å; S96-D107 PolarHBondContact OG-OD2 2.99Å
97E98.3Very high97.4Very high94 Ų9455 Ų5544%0.43928%0.277SS..EExtended strand (participates in β ladder)trans-142.2121.4168.1177.6159169.300108.8T104 I105 R106E97-T104 HydrophobicContact CG-CG2 3.93Å; E97-I105 WeakPolarHBondContact CA-O 3.38Å; E97-R106 HydrophobicContact CB-CG 4.18Å; E97-R106 HydrophobicContact CG-CG 3.94Å; E97-R106 IonicContact OE1-CZ 2.72Å; E97-R106 IonicContact OE1-NE 3.01Å; E97-R106 PolarHBondContact OE1-NE 2.88Å; E97-R106 IonicContact OE1-NH2 3.73Å; E97-R106 PolarHBondContact OE1-NH2 3.27Å; E97-R106 WeakPolarHBondContact OE2-CD 3.35Å; E97-R106 IonicContact OE2-CZ 3.49Å; E97-R106 IonicContact OE2-NE 3.23Å; E97-R106 PolarHBondContact OE2-NE 2.92Å; E97-R106 IonicContact OE2-NH2 2.73Å
98I98.3Very high97.5Very high91 Ų9153.8 Ų53.847%0.46727%0.273SS..EExtended strand (participates in β ladder)trans-120.5107.4178.6-55.4174.8000107.3L100 T104 I105I98-L100 HydrophobicContact CG2-CD2 4.26Å; I98-L100 HydrophobicContact CG2-CG 4.2Å; I98-T104 WeakPolarHBondContact O-CA 3.35Å; I98-I105 PolarHBondContact N-O 3.28Å; I98-I105 PolarHBondContact O-N 2.81Å
99Q97.9Very high97.7Very high154 Ų15451.5 Ų51.572%0.7226%0.264SS*.EExtended strand (participates in β ladder)trans-89.9121.3174.9-171.3168.64.300109.6T104Q99-T104 HydrophobicContact CB-CG2 4.37Å
100L96.2Very high97.9Very high82 Ų8249 Ų4943%0.42925%0.251SS..  trans-111.2178173.6-60.8166.6000108.7I98 W103I98-L100 HydrophobicContact CG2-CD2 4.26Å; I98-L100 HydrophobicContact CG2-CG 4.2Å; L100-W103 CarbonylContact C-O 3.53Å; L100-W103 WeakPolarHBondContact CA-O 3.42Å; L100-W103 WeakPolarHBondContact CB-O 3.38Å; L100-W103 PolarHBondContact N-O 3.41Å
101E92.8Very high97.9Very high179 Ų17952.9 Ų52.984%0.83627%0.267SS*.SBendtrans-59.7-51.6-179.1-175.1168.6-170.600111.7
102D94.1Very high97.8Very high48 Ų4852.5 Ų52.526%0.25727%0.265SS..SBendtrans-103.7-11.6-169.8-63.6-52.9000115.1T127 A128 L140D102-T127 PolarHBondContact O-N 3.24Å; D102-T127 PolarHBondContact O-OG1 2.7Å; D102-A128 HydrophobicContact CB-CB 3.78Å; D102-A128 PolarHBondContact O-N 3Å; D102-A128 WeakPolarHBondContact OD1-CB 3.37Å; D102-L140 HydrophobicContact CB-CD1 3.74Å; D102-L140 HydrophobicContact CB-CD2 4Å; D102-L140 HydrophobicContact CB-CG 4.31Å; D102-L140 VanDerWaalsContact OD2-CD1 3.3Å; D102-L140 WeakPolarHBondContact OD2-CD1 3.34Å
103W96.6Very high97.7Very high39 Ų3955.3 Ų55.315%0.14828%0.283CS..EExtended strand (participates in β ladder)trans-154.9164177.252.174000112.7L100 H125 F126 T127 L140 F144 L147L100-W103 CarbonylContact C-O 3.53Å; L100-W103 WeakPolarHBondContact CA-O 3.42Å; L100-W103 WeakPolarHBondContact CB-O 3.38Å; L100-W103 PolarHBondContact N-O 3.41Å; W103-H125 CarbonylContact C-O 3.6Å; W103-H125 WeakPolarHBondContact CA-O 3.48Å; W103-H125 WeakPolarHBondContact CB-O 3.31Å; W103-F126 HydrophobicContact CE3-CD2 4.06Å; W103-F126 HydrophobicContact CE3-CE2 4.09Å; W103-T127 WeakPolarHBondContact CA-OG1 3.12Å; W103-T127 PolarHBondContact N-OG1 2.65Å; W103-L140 HydrophobicContact CE3-CD1 4.45Å; W103-L140 HydrophobicContact CH2-CD1 4.46Å; W103-L140 HydrophobicContact CZ3-CD1 3.69Å; W103-F144 HydrophobicContact CB-CD2 4.06Å; W103-F144 HydrophobicContact CB-CE2 3.9Å; W103-F144 AromaticContact CD2-CD2 3.75Å; W103-F144 HydrophobicContact CD2-CD2 3.75Å; W103-F144 HydrophobicContact CD2-CE2 4.41Å; W103-F144 HydrophobicContact CE3-CB 3.97Å; W103-F144 AromaticContact CE3-CD2 3.62Å; W103-F144 HydrophobicContact CE3-CD2 3.62Å; W103-F144 HydrophobicContact CE3-CG 4.21Å; W103-F144 AromaticContact CG-CD2 3.97Å; W103-F144 HydrophobicContact CG-CD2 3.97Å; W103-F144 HydrophobicContact CG-CE2 4.15Å; W103-F144 HydrophobicContact CZ3-CB 3.89Å; W103-F144 HydrophobicContact CZ3-CD2 4.3Å; W103-L147 HydrophobicContact CZ2-CD2 4.1Å
104T98.4Very high97.4Very high4 Ų459.7 Ų59.73%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-118.1134.4169.8-48.90000109.3E97 I98 Q99 R106 H125E97-T104 HydrophobicContact CG-CG2 3.93Å; I98-T104 WeakPolarHBondContact O-CA 3.35Å; Q99-T104 HydrophobicContact CB-CG2 4.37Å; T104-R106 HydrophobicContact CG2-CG 4.28Å; T104-H125 PolarHBondContact N-O 3Å; T104-H125 WeakPolarHBondContact O-CB 3.41Å; T104-H125 PolarHBondContact O-N 3.44Å
105I98.7Very high97.3Very high19 Ų1962.2 Ų62.210%0.09731%0.313CS..EExtended strand (participates in β ladder)trans-108.2131173.7-54175.5000108E97 I98 R122 H123 F124 L147E97-I105 WeakPolarHBondContact CA-O 3.38Å; I98-I105 PolarHBondContact N-O 3.28Å; I98-I105 PolarHBondContact O-N 2.81Å; I105-R122 HydrophobicContact CG2-CG 3.95Å; I105-H123 CarbonylContact C-O 3.57Å; I105-H123 WeakPolarHBondContact CA-O 3.36Å; I105-F124 HydrophobicContact CD1-CD1 4.45Å; I105-F124 HydrophobicContact CD1-CE1 4.31Å; I105-F124 HydrophobicContact CG1-CD1 4.19Å; I105-F124 HydrophobicContact CG1-CE1 4.46Å; I105-F124 HydrophobicContact CG2-CE1 4.46Å; I105-L147 HydrophobicContact CD1-CD2 3.95Å
106R98.8Very high97.1Very high16 Ų1663.1 Ų63.16%0.0632%0.319CS..EExtended strand (participates in β ladder)trans-126.2139.9174.2-59.6-178.4-179.785.84.8110W80 S96 E97 T104 F108 R122 H123W80-R106 VanDerWaalsContact NE1-CZ 3.29Å; W80-R106 VanDerWaalsContact NE1-NE 3.15Å; S96-R106 VanDerWaalsContact O-CA 3.32Å; S96-R106 WeakPolarHBondContact O-CA 3.3Å; E97-R106 HydrophobicContact CB-CG 4.18Å; E97-R106 HydrophobicContact CG-CG 3.94Å; E97-R106 IonicContact OE1-CZ 2.72Å; E97-R106 IonicContact OE1-NE 3.01Å; E97-R106 PolarHBondContact OE1-NE 2.88Å; E97-R106 IonicContact OE1-NH2 3.73Å; E97-R106 PolarHBondContact OE1-NH2 3.27Å; E97-R106 WeakPolarHBondContact OE2-CD 3.35Å; E97-R106 IonicContact OE2-CZ 3.49Å; E97-R106 IonicContact OE2-NE 3.23Å; E97-R106 PolarHBondContact OE2-NE 2.92Å; E97-R106 IonicContact OE2-NH2 2.73Å; T104-R106 HydrophobicContact CG2-CG 4.28Å; R106-F108 HydrophobicContact CB-CE1 3.91Å; R106-F108 HydrophobicContact CB-CE2 4.34Å; R106-F108 HydrophobicContact CB-CZ 3.75Å; R106-F108 HydrophobicContact CG-CZ 4.48Å; R106-R122 WeakPolarHBondContact O-CA 3.44Å; R106-H123 HydrophobicContact CB-CB 4.28Å; R106-H123 PolarHBondContact N-O 3.02Å; R106-H123 PolarHBondContact O-N 3.03Å
107D98.8Very high97.1Very high35 Ų3565.5 Ų65.519%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-104.8136.5166.5-63.2-48.3000109.4T95 S96 R122T95-D107 PolarHBondContact N-O 2.85Å; T95-D107 WeakPolarHBondContact OG1-CB 3.34Å; T95-D107 PolarHBondContact OG1-O 3.44Å; S96-D107 PolarHBondContact N-O 2.94Å; S96-D107 PolarHBondContact O-N 2.78Å; S96-D107 VanDerWaalsContact OG-CB 3.28Å; S96-D107 WeakPolarHBondContact OG-CB 3.43Å; S96-D107 VanDerWaalsContact OG-CG 3.26Å; S96-D107 PolarHBondContact OG-N 2.98Å; S96-D107 PolarHBondContact OG-OD2 2.99Å; D107-R122 IonicContact OD1-CZ 4Å; D107-R122 VanDerWaalsContact OD1-CZ 3.29Å; D107-R122 IonicContact OD1-NE 3.68Å; D107-R122 PolarHBondContact OD1-NE 3.39Å; D107-R122 IonicContact OD1-NH2 3.01Å; D107-R122 PolarHBondContact OD1-NH2 2.83Å; D107-R122 IonicContact OD2-CZ 2.79Å; D107-R122 IonicContact OD2-NE 2.83Å; D107-R122 IonicContact OD2-NH2 3.03Å; D107-R122 PolarHBondContact OD2-NH2 3.21Å
108F98.8Very high97.1Very high1 Ų164.9 Ų64.90%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-122.4138.2177.4-54-57.1000109.9W51 L62 W80 V92 T93 T94 R106 I110 S120 V121 H123W51-F108 AromaticContact CH2-CD2 3.73Å; W51-F108 HydrophobicContact CH2-CD2 3.73Å; W51-F108 AromaticContact CH2-CE2 3.91Å; W51-F108 HydrophobicContact CH2-CE2 3.91Å; W51-F108 HydrophobicContact CH2-CG 4.27Å; L62-F108 HydrophobicContact CD1-CE2 4.48Å; W80-F108 HydrophobicContact CB-CE1 3.91Å; W80-F108 HydrophobicContact CB-CZ 3.72Å; W80-F108 HydrophobicContact CG-CE1 4.43Å; W80-F108 HydrophobicContact CG-CZ 4.07Å; V92-F108 HydrophobicContact CG1-CB 4.13Å; V92-F108 HydrophobicContact CG1-CD1 4.08Å; V92-F108 HydrophobicContact CG1-CG 4.13Å; T93-F108 CarbonylContact O-C 3.55Å; T93-F108 VanDerWaalsContact O-CA 3.28Å; T93-F108 WeakPolarHBondContact O-CA 3.48Å; T94-F108 HydrophobicContact CG2-CD1 4.37Å; T94-F108 HydrophobicContact CG2-CE1 4.17Å; T94-F108 WeakPolarHBondContact OG1-CE1 2.98Å; R106-F108 HydrophobicContact CB-CE1 3.91Å; R106-F108 HydrophobicContact CB-CE2 4.34Å; R106-F108 HydrophobicContact CB-CZ 3.75Å; R106-F108 HydrophobicContact CG-CZ 4.48Å; F108-I110 HydrophobicContact CB-CG2 4.34Å; F108-S120 CarbonylContact O-C 3.56Å; F108-S120 VanDerWaalsContact O-CA 3.3Å; F108-S120 WeakPolarHBondContact O-CA 3.41Å; F108-V121 HydrophobicContact CB-CB 4.4Å; F108-V121 HydrophobicContact CD2-CG1 4.48Å; F108-V121 PolarHBondContact N-O 2.81Å; F108-V121 PolarHBondContact O-N 3.02Å; F108-H123 HydrophobicContact CD2-CB 4.08Å; F108-H123 HydrophobicContact CE2-CB 3.35Å; F108-H123 AromaticContact CE2-CG 3.91Å; F108-H123 HydrophobicContact CZ-CB 4.05Å; F108-H123 AromaticContact CZ-ND1 3.97Å
109D98.7Very high97.1Very high57 Ų5763.2 Ų63.231%0.30532%0.317SS..EExtended strand (participates in β ladder)trans-97.3117.4156.8-78-16.5000108.4T93 T95 V118 S120T93-D109 PolarHBondContact N-O 3.03Å; T93-D109 PolarHBondContact O-N 3.42Å; T95-D109 HydrophobicContact CG2-CB 4.07Å; D109-V118 HydrophobicContact CB-CG1 4.02Å; D109-S120 PolarHBondContact OD1-OG 2.72Å
110I98.6Very high97.1Very high1 Ų159.9 Ų59.91%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-100.6130.1174.468173.2000109.2W51 V54 W55 I90 I91 V92 F108 V118 R119 V121W51-I110 HydrophobicContact CE3-CG2 4.12Å; W51-I110 HydrophobicContact CZ3-CG2 3.78Å; V54-I110 HydrophobicContact CG1-CD1 3.9Å; W55-I110 HydrophobicContact CE3-CD1 3.69Å; W55-I110 HydrophobicContact CE3-CG1 3.81Å; W55-I110 HydrophobicContact CZ3-CD1 4.29Å; W55-I110 HydrophobicContact CZ3-CG1 3.95Å; I90-I110 HydrophobicContact CG2-CB 4.32Å; I91-I110 CarbonylContact O-C 3.44Å; I91-I110 VanDerWaalsContact O-CA 3.29Å; I91-I110 WeakPolarHBondContact O-CA 3.49Å; V92-I110 HydrophobicContact CB-CG2 4.48Å; V92-I110 HydrophobicContact CG1-CG2 4.26Å; V92-I110 HydrophobicContact CG2-CG2 3.98Å; F108-I110 HydrophobicContact CB-CG2 4.34Å; I110-V118 CarbonylContact O-C 3.59Å; I110-V118 VanDerWaalsContact O-CA 3.31Å; I110-V118 WeakPolarHBondContact O-CA 3.49Å; I110-R119 HydrophobicContact CD1-CB 4.43Å; I110-R119 HydrophobicContact CG1-CB 3.92Å; I110-R119 WeakPolarHBondContact CG1-O 3.22Å; I110-R119 PolarHBondContact N-O 3.36Å; I110-R119 PolarHBondContact O-N 3.44Å; I110-V121 HydrophobicContact CD1-CG2 3.62Å; I110-V121 HydrophobicContact CG1-CG2 3.99Å; I110-V121 HydrophobicContact CG2-CG2 4.2Å
111K98.6Very high97.2Very high86 Ų8656 Ų5637%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-122.6130-179.4177.7-179.6-179.3-179.20110I90 I91 E117 V118I90-K111 WeakPolarHBondContact CA-O 3.36Å; I91-K111 HydrophobicContact CB-CB 4.25Å; I91-K111 PolarHBondContact N-O 3.19Å; I91-K111 PolarHBondContact O-N 3.46Å; K111-E117 WeakPolarHBondContact CA-O 3.45Å; K111-V118 HydrophobicContact CB-CG2 4.05Å; K111-V118 HydrophobicContact CD-CG2 4.25Å; K111-V118 HydrophobicContact CG-CG2 3.99Å
112N97.4Very high97.5Very high17 Ų1751 Ų519%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-87.7121.6169.9-176.9-53.5000109.7W55 D89 I90 K114 T115 T116 E117W55-N112 HydrophobicContact CD2-CB 3.93Å; W55-N112 VanDerWaalsContact CE2-CB 3.43Å; W55-N112 HydrophobicContact CE3-CB 4.18Å; W55-N112 HydrophobicContact CH2-CB 3.58Å; W55-N112 HydrophobicContact CZ2-CB 3.26Å; W55-N112 HydrophobicContact CZ3-CB 4.02Å; W55-N112 PolarHBondContact NE1-ND2 2.85Å; W55-N112 VanDerWaalsContact NE1-ND2 3.14Å; D89-N112 WeakPolarHBondContact O-CA 3.46Å; I90-N112 HydrophobicContact CD1-CB 4.17Å; N112-K114 VanDerWaalsContact C-N 3.26Å; N112-K114 PolarHBondContact O-N 2.88Å; N112-K114 WeakPolarHBondContact OD1-CA 3.49Å; N112-K114 WeakPolarHBondContact OD1-CB 3.46Å; N112-K114 PolarHBondContact OD1-N 3.48Å; N112-T115 WeakPolarHBondContact CB-OG1 3.42Å; N112-T115 PolarHBondContact OD1-N 3.48Å; N112-T115 VanDerWaalsContact OD1-N 3.12Å; N112-T116 WeakPolarHBondContact O-CA 3.31Å; N112-T116 PolarHBondContact O-N 3.13Å; N112-E117 PolarHBondContact N-O 2.88Å
113V96Very high97.7Very high62 Ų6248.7 Ų48.738%0.37625%0.251SS..THydrogen-bonded Turntrans-67-28.8-175.7-58.20000113D89 I91D89-V113 HydrophobicContact CB-CG2 3.88Å; D89-V113 WeakPolarHBondContact O-CG2 3.28Å; D89-V113 PolarHBondContact O-N 3.22Å; I91-V113 HydrophobicContact CD1-CG1 3.55Å; I91-V113 HydrophobicContact CG1-CG1 3.66Å
114K93.8Very high97.8Very high133 Ų13346.9 Ų46.958%0.57824%0.244SC*.THydrogen-bonded Turntrans-78-41.9-178-64.5172.5167.7163.50111.5D89 N112D89-K114 VanDerWaalsContact CG-CE 3.4Å; D89-K114 VanDerWaalsContact OD1-CE 3.25Å; D89-K114 WeakPolarHBondContact OD1-CE 3.38Å; D89-K114 IonicContact OD1-NZ 2.69Å; D89-K114 WeakPolarHBondContact OD2-CE 3.32Å; D89-K114 IonicContact OD2-NZ 2.86Å; D89-K114 PolarHBondContact OD2-NZ 3.17Å; N112-K114 VanDerWaalsContact C-N 3.26Å; N112-K114 PolarHBondContact O-N 2.88Å; N112-K114 WeakPolarHBondContact OD1-CA 3.49Å; N112-K114 WeakPolarHBondContact OD1-CB 3.46Å; N112-K114 PolarHBondContact OD1-N 3.48Å
115T95.6Very high97.8Very high76 Ų7647.3 Ų47.347%0.46625%0.246SC..THydrogen-bonded Turntrans-95.4-15.6-178.168.70000113.4N112 E117N112-T115 WeakPolarHBondContact CB-OG1 3.42Å; N112-T115 PolarHBondContact OD1-N 3.48Å; N112-T115 VanDerWaalsContact OD1-N 3.12Å; T115-E117 PolarHBondContact O-N 3.04Å; T115-E117 VanDerWaalsContact O-N 3.09Å; T115-E117 WeakPolarHBondContact OG1-CB 3.43Å; T115-E117 PolarHBondContact OG1-N 2.87Å
116T94.9Very high97.7Very high97 Ų9746.4 Ų46.460%0.59524%0.242SC*.  trans62.70.6-171.972.10000115.4N112N112-T116 WeakPolarHBondContact O-CA 3.31Å; N112-T116 PolarHBondContact O-N 3.13Å
117E98.1Very high97.5Very high85 Ų8546.6 Ų46.640%0.39725%0.245SC..  trans-63.7142.6176.1-175.2-170.1171.700110.3W55 K111 N112 T115 R119W55-E117 HydrophobicContact CH2-CB 3.71Å; W55-E117 HydrophobicContact CH2-CG 3.82Å; W55-E117 VanDerWaalsContact CH2-O 3.26Å; W55-E117 WeakPolarHBondContact CH2-O 3.37Å; W55-E117 HydrophobicContact CZ2-CB 3.97Å; W55-E117 HydrophobicContact CZ2-CG 4.22Å; W55-E117 WeakPolarHBondContact CZ2-OE2 3.4Å; K111-E117 WeakPolarHBondContact CA-O 3.45Å; N112-E117 PolarHBondContact N-O 2.88Å; T115-E117 PolarHBondContact O-N 3.04Å; T115-E117 VanDerWaalsContact O-N 3.09Å; T115-E117 WeakPolarHBondContact OG1-CB 3.43Å; T115-E117 PolarHBondContact OG1-N 2.87Å; E117-R119 VanDerWaalsContact CD-NH2 3.28Å; E117-R119 HydrophobicContact CG-CG 4.5Å; E117-R119 IonicContact OE1-CZ 3.93Å; E117-R119 VanDerWaalsContact OE1-CZ 3.29Å; E117-R119 IonicContact OE1-NE 2.7Å; E117-R119 PolarHBondContact OE1-NE 3.37Å; E117-R119 IonicContact OE1-NH2 3.57Å; E117-R119 PolarHBondContact OE1-NH2 2.9Å; E117-R119 IonicContact OE2-CZ 3.29Å; E117-R119 IonicContact OE2-NE 3.29Å; E117-R119 IonicContact OE2-NH2 3.69Å; E117-R119 PolarHBondContact OE2-NH2 3.42Å
118V98.2Very high97.1Very high81 Ų8146.3 Ų46.349%0.49125%0.247SC..EExtended strand (participates in β ladder)trans-119.4136.7175.9-176.30000108.9D109 I110 K111D109-V118 HydrophobicContact CB-CG1 4.02Å; I110-V118 CarbonylContact O-C 3.59Å; I110-V118 VanDerWaalsContact O-CA 3.31Å; I110-V118 WeakPolarHBondContact O-CA 3.49Å; K111-V118 HydrophobicContact CB-CG2 4.05Å; K111-V118 HydrophobicContact CD-CG2 4.25Å; K111-V118 HydrophobicContact CG-CG2 3.99Å
119R98.1Very high96.5Very high56 Ų5646.6 Ų46.621%0.21125%0.248CC..EExtended strand (participates in β ladder)trans-131.3146.7175.6-60.3179.1-173.2160.58.6109.5W55 I110 E117W55-R119 HydrophobicContact CH2-CG 3.99Å; W55-R119 HydrophobicContact CZ3-CB 4.25Å; W55-R119 HydrophobicContact CZ3-CG 3.87Å; W55-R119 PolarHBondContact O-NH1 3.25Å; I110-R119 HydrophobicContact CD1-CB 4.43Å; I110-R119 HydrophobicContact CG1-CB 3.92Å; I110-R119 WeakPolarHBondContact CG1-O 3.22Å; I110-R119 PolarHBondContact N-O 3.36Å; I110-R119 PolarHBondContact O-N 3.44Å; E117-R119 VanDerWaalsContact CD-NH2 3.28Å; E117-R119 HydrophobicContact CG-CG 4.5Å; E117-R119 IonicContact OE1-CZ 3.93Å; E117-R119 VanDerWaalsContact OE1-CZ 3.29Å; E117-R119 IonicContact OE1-NE 2.7Å; E117-R119 PolarHBondContact OE1-NE 3.37Å; E117-R119 IonicContact OE1-NH2 3.57Å; E117-R119 PolarHBondContact OE1-NH2 2.9Å; E117-R119 IonicContact OE2-CZ 3.29Å; E117-R119 IonicContact OE2-NE 3.29Å; E117-R119 IonicContact OE2-NH2 3.69Å; E117-R119 PolarHBondContact OE2-NH2 3.42Å
120S98.2Very high95.6Very high83 Ų8345.8 Ų45.858%0.5825%0.245SC*.EExtended strand (participates in β ladder)trans-94.6138.8174.5-54.50000110.6F108 D109F108-S120 CarbonylContact O-C 3.56Å; F108-S120 VanDerWaalsContact O-CA 3.3Å; F108-S120 WeakPolarHBondContact O-CA 3.41Å; D109-S120 PolarHBondContact OD1-OG 2.72Å
121V98.8Very high94Very high1 Ų147.8 Ų47.81%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-130.3128.9177.5178.90000108.9V54 V59 Q60 L62 F108 I110V54-V121 HydrophobicContact CG1-CG1 4.45Å; V54-V121 HydrophobicContact CG1-CG2 4.03Å; V59-V121 WeakPolarHBondContact O-CG2 3.14Å; Q60-V121 CarbonylContact O-C 3.6Å; Q60-V121 WeakPolarHBondContact O-CA 3.48Å; L62-V121 HydrophobicContact CD1-CG1 3.86Å; L62-V121 HydrophobicContact CG-CG1 3.74Å; F108-V121 HydrophobicContact CB-CB 4.4Å; F108-V121 HydrophobicContact CD2-CG1 4.48Å; F108-V121 PolarHBondContact N-O 2.81Å; F108-V121 PolarHBondContact O-N 3.02Å; I110-V121 HydrophobicContact CD1-CG2 3.62Å; I110-V121 HydrophobicContact CG1-CG2 3.99Å; I110-V121 HydrophobicContact CG2-CG2 4.2Å
122R98.8Very high92.2Very high73 Ų7348.1 Ų48.128%0.27526%0.259SS..EExtended strand (participates in β ladder)trans-99.2134.8171.7-175.7163.7-73.9-175.6-7.3110.8Q60 T61 L62 I105 R106 D107 F124 H151Q60-R122 PolarHBondContact O-N 2.97Å; T61-R122 WeakPolarHBondContact CA-O 3.37Å; L62-R122 PolarHBondContact N-O 2.74Å; I105-R122 HydrophobicContact CG2-CG 3.95Å; R106-R122 WeakPolarHBondContact O-CA 3.44Å; D107-R122 IonicContact OD1-CZ 4Å; D107-R122 VanDerWaalsContact OD1-CZ 3.29Å; D107-R122 IonicContact OD1-NE 3.68Å; D107-R122 PolarHBondContact OD1-NE 3.39Å; D107-R122 IonicContact OD1-NH2 3.01Å; D107-R122 PolarHBondContact OD1-NH2 2.83Å; D107-R122 IonicContact OD2-CZ 2.79Å; D107-R122 IonicContact OD2-NE 2.83Å; D107-R122 IonicContact OD2-NH2 3.03Å; D107-R122 PolarHBondContact OD2-NH2 3.21Å; R122-F124 HydrophobicContact CB-CE2 4.1Å; R122-F124 HydrophobicContact CG-CD2 4.07Å; R122-F124 HydrophobicContact CG-CE1 4.35Å; R122-F124 HydrophobicContact CG-CE2 3.51Å; R122-F124 HydrophobicContact CG-CZ 3.68Å; R122-H151 WeakPolarHBondContact CB-NE2 3.06Å
123H98.9Very high90.6Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-116.3118.5179.2171.3-131.7000111.1L62 M64 Y79 I105 R106 F108L62-H123 HydrophobicContact CB-CB 4.09Å; L62-H123 HydrophobicContact CD1-CB 4.43Å; L62-H123 CarbonylContact O-C 3.58Å; L62-H123 WeakPolarHBondContact O-CA 3.37Å; M64-H123 WeakPolarHBondContact CB-NE2 3.25Å; Y79-H123 PolarHBondContact OH-NE2 2.84Å; I105-H123 CarbonylContact C-O 3.57Å; I105-H123 WeakPolarHBondContact CA-O 3.36Å; R106-H123 HydrophobicContact CB-CB 4.28Å; R106-H123 PolarHBondContact N-O 3.02Å; R106-H123 PolarHBondContact O-N 3.03Å; F108-H123 HydrophobicContact CD2-CB 4.08Å; F108-H123 HydrophobicContact CE2-CB 3.35Å; F108-H123 AromaticContact CE2-CG 3.91Å; F108-H123 HydrophobicContact CZ-CB 4.05Å; F108-H123 AromaticContact CZ-ND1 3.97Å
124F98.8Very high89.2Confident1 Ų147.4 Ų47.40%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-102.5107.7176.6-62.6-88.9000108.8T61 L62 V63 M64 I105 R122 F144 L147 V148 H151T61-F124 HydrophobicContact CG2-CD2 3.9Å; T61-F124 HydrophobicContact CG2-CE2 3.87Å; L62-F124 PolarHBondContact O-N 3.06Å; V63-F124 CarbonylContact C-O 3.54Å; V63-F124 WeakPolarHBondContact CA-O 3.36Å; M64-F124 PolarHBondContact N-O 2.95Å; I105-F124 HydrophobicContact CD1-CD1 4.45Å; I105-F124 HydrophobicContact CD1-CE1 4.31Å; I105-F124 HydrophobicContact CG1-CD1 4.19Å; I105-F124 HydrophobicContact CG1-CE1 4.46Å; I105-F124 HydrophobicContact CG2-CE1 4.46Å; R122-F124 HydrophobicContact CB-CE2 4.1Å; R122-F124 HydrophobicContact CG-CD2 4.07Å; R122-F124 HydrophobicContact CG-CE1 4.35Å; R122-F124 HydrophobicContact CG-CE2 3.51Å; R122-F124 HydrophobicContact CG-CZ 3.68Å; F124-F144 HydrophobicContact CB-CE2 3.82Å; F124-F144 HydrophobicContact CB-CZ 3.58Å; F124-L147 HydrophobicContact CD1-CD2 4.06Å; F124-L147 HydrophobicContact CD1-CG 4.21Å; F124-L147 HydrophobicContact CE1-CD1 4.38Å; F124-L147 HydrophobicContact CE1-CD2 4.05Å; F124-L147 HydrophobicContact CE1-CG 3.79Å; F124-V148 HydrophobicContact CB-CG2 3.9Å; F124-V148 HydrophobicContact CD1-CG2 4.06Å; F124-V148 HydrophobicContact CD2-CG2 4.08Å; F124-V148 HydrophobicContact CG-CG2 3.76Å; F124-H151 HydrophobicContact CE2-CB 4.01Å; F124-H151 AromaticContact CE2-CD2 3.83Å; F124-H151 AromaticContact CE2-CG 3.94Å; F124-H151 HydrophobicContact CZ-CB 3.6Å; F124-H151 AromaticContact CZ-CG 3.78Å
125H98.6Very high87.9Confident13 Ų1341.9 Ų41.96%0.0624%0.24CC..EExtended strand (participates in β ladder)trans-105.7102.3-179.5177.1-151000110M64 T66 W103 T104 T127M64-H125 HydrophobicContact CB-CB 4.31Å; M64-H125 CarbonylContact O-C 3.56Å; M64-H125 WeakPolarHBondContact O-CA 3.34Å; T66-H125 PolarHBondContact O-NE2 2.89Å; W103-H125 CarbonylContact C-O 3.6Å; W103-H125 WeakPolarHBondContact CA-O 3.48Å; W103-H125 WeakPolarHBondContact CB-O 3.31Å; T104-H125 PolarHBondContact N-O 3Å; T104-H125 WeakPolarHBondContact O-CB 3.41Å; T104-H125 PolarHBondContact O-N 3.44Å; H125-T127 VanDerWaalsContact CE1-CG2 3.44Å; H125-T127 WeakPolarHBondContact CE1-CG2 3.49Å; H125-T127 PolarHBondContact O-N 2.96Å
126F96.5Very high86.2Confident1 Ų148 Ų480%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-74.8109.6175.6-169.5-108.4000110.2M64 L65 W103 A128 W129 P135 L140 F144M64-F126 PolarHBondContact O-N 3.41Å; L65-F126 HydrophobicContact CD2-CB 3.9Å; W103-F126 HydrophobicContact CE3-CD2 4.06Å; W103-F126 HydrophobicContact CE3-CE2 4.09Å; F126-A128 HydrophobicContact CE1-CB 4.21Å; F126-A128 HydrophobicContact CE2-CB 4.26Å; F126-A128 HydrophobicContact CZ-CB 3.86Å; F126-W129 HydrophobicContact CD1-CB 3.87Å; F126-W129 AromaticContact CD1-CE3 3.87Å; F126-W129 HydrophobicContact CD1-CE3 3.87Å; F126-W129 HydrophobicContact CE1-CB 3.89Å; F126-W129 HydrophobicContact CE1-CD2 4.43Å; F126-W129 AromaticContact CE1-CE3 3.93Å; F126-W129 HydrophobicContact CE1-CE3 3.93Å; F126-W129 HydrophobicContact CE1-CG 4.48Å; F126-P135 HydrophobicContact CE1-CG 4.38Å; F126-L140 HydrophobicContact CE2-CD2 4.15Å; F126-L140 HydrophobicContact CE2-CG 3.87Å; F126-L140 HydrophobicContact CZ-CD2 3.85Å; F126-L140 HydrophobicContact CZ-CG 3.88Å; F126-F144 HydrophobicContact CB-CD1 4.13Å; F126-F144 HydrophobicContact CB-CD2 4.41Å; F126-F144 HydrophobicContact CB-CE1 3.78Å; F126-F144 HydrophobicContact CB-CE2 4.06Å; F126-F144 HydrophobicContact CB-CG 4.43Å; F126-F144 HydrophobicContact CB-CZ 3.72Å; F126-F144 HydrophobicContact CD2-CB 3.85Å; F126-F144 AromaticContact CD2-CD1 3.87Å; F126-F144 HydrophobicContact CD2-CD1 3.87Å; F126-F144 AromaticContact CD2-CD2 3.74Å; F126-F144 HydrophobicContact CD2-CD2 3.74Å; F126-F144 HydrophobicContact CD2-CE1 4.36Å; F126-F144 HydrophobicContact CD2-CE2 4.22Å; F126-F144 AromaticContact CD2-CG 3.54Å; F126-F144 HydrophobicContact CD2-CG 3.54Å; F126-F144 HydrophobicContact CE2-CB 3.97Å; F126-F144 HydrophobicContact CE2-CG 4.17Å; F126-F144 HydrophobicContact CG-CD1 4.2Å; F126-F144 HydrophobicContact CG-CE1 4.35Å; F126-F144 HydrophobicContact CG-CG 4.3Å
127T93.8Very high84.8Confident20 Ų2046.8 Ų46.812%0.12326%0.256CS..  trans-96.4-20.4-175.447.20000112.6R67 D102 W103 H125 W129R67-T127 PolarHBondContact NH1-O 3.22Å; R67-T127 VanDerWaalsContact NH1-O 3.08Å; R67-T127 PolarHBondContact NH2-O 3.21Å; D102-T127 PolarHBondContact O-N 3.24Å; D102-T127 PolarHBondContact O-OG1 2.7Å; W103-T127 WeakPolarHBondContact CA-OG1 3.12Å; W103-T127 PolarHBondContact N-OG1 2.65Å; H125-T127 VanDerWaalsContact CE1-CG2 3.44Å; H125-T127 WeakPolarHBondContact CE1-CG2 3.49Å; H125-T127 PolarHBondContact O-N 2.96Å; T127-W129 VanDerWaalsContact C-N 3.27Å; T127-W129 PolarHBondContact O-N 2.97Å
128A90.4Very high83.7Confident28 Ų2845.6 Ų45.623%0.23126%0.255CS..  trans-76.9-2.7-176.800000115.3D102 F126 P130 L140D102-A128 HydrophobicContact CB-CB 3.78Å; D102-A128 PolarHBondContact O-N 3Å; D102-A128 WeakPolarHBondContact OD1-CB 3.37Å; F126-A128 HydrophobicContact CE1-CB 4.21Å; F126-A128 HydrophobicContact CE2-CB 4.26Å; F126-A128 HydrophobicContact CZ-CB 3.86Å; A128-P130 WeakPolarHBondContact O-CD 3.27Å; A128-L140 HydrophobicContact CB-CD2 3.48Å; A128-L140 VanDerWaalsContact CB-CD2 3.48Å
129W86.8Confident83.1Confident8 Ų848.2 Ų48.23%0.0326%0.262CS..  trans-64.6123.3178.3-152.1-59.5000110F126 T127 G133 P135 L141 R171 T174F126-W129 HydrophobicContact CD1-CB 3.87Å; F126-W129 AromaticContact CD1-CE3 3.87Å; F126-W129 HydrophobicContact CD1-CE3 3.87Å; F126-W129 HydrophobicContact CE1-CB 3.89Å; F126-W129 HydrophobicContact CE1-CD2 4.43Å; F126-W129 AromaticContact CE1-CE3 3.93Å; F126-W129 HydrophobicContact CE1-CE3 3.93Å; F126-W129 HydrophobicContact CE1-CG 4.48Å; T127-W129 VanDerWaalsContact C-N 3.27Å; T127-W129 PolarHBondContact O-N 2.97Å; W129-G133 PolarHBondContact NE1-O 3.33Å; W129-P135 HydrophobicContact CD2-CG 4.38Å; W129-L141 HydrophobicContact CE3-CD1 4.42Å; W129-L141 HydrophobicContact CH2-CD2 3.74Å; W129-L141 HydrophobicContact CZ3-CD1 3.83Å; W129-L141 HydrophobicContact CZ3-CD2 3.68Å; W129-L141 HydrophobicContact CZ3-CG 4.45Å; W129-R171 HydrophobicContact CD2-CB 4.21Å; W129-R171 VanDerWaalsContact CD2-CD 3.44Å; W129-R171 HydrophobicContact CD2-CG 3.76Å; W129-R171 VanDerWaalsContact CE2-CG 3.48Å; W129-R171 HydrophobicContact CE3-CB 4.1Å; W129-R171 HydrophobicContact CE3-CG 4.17Å; W129-R171 VanDerWaalsContact CG-CD 3.5Å; W129-R171 HydrophobicContact CG-CG 4.27Å; W129-R171 VanDerWaalsContact CG-NE 3.31Å; W129-R171 HydrophobicContact CH2-CB 3.88Å; W129-R171 HydrophobicContact CH2-CG 4.12Å; W129-R171 HydrophobicContact CZ2-CB 3.99Å; W129-R171 HydrophobicContact CZ2-CG 3.69Å; W129-R171 HydrophobicContact CZ3-CB 3.93Å; W129-R171 HydrophobicContact CZ3-CG 4.34Å; W129-T174 HydrophobicContact CH2-CG2 3.86Å; W129-T174 HydrophobicContact CZ2-CG2 4.44Å
130P79.3Confident82.6Confident39 Ų3947.2 Ų47.225%0.25326%0.26SS..  trans-67.1145.2-179.825.7-33.4000111.2A128 H132 V134 R171A128-P130 WeakPolarHBondContact O-CD 3.27Å; P130-H132 PolarHBondContact O-N 2.91Å; P130-V134 VanDerWaalsContact CG-C 3.47Å; P130-V134 WeakPolarHBondContact CG-O 3.44Å; P130-R171 PolarHBondContact O-NH2 2.93Å
131D63.8Low82.2Confident44 Ų4443.5 Ų43.524%0.23523%0.234CC..SBendtrans-58.5-31.1174.8-60.8-23.2000111.5E70 Q71E70-D131 WeakPolarHBondContact CB-OD1 3.47Å; E70-D131 WeakPolarHBondContact CG-OD1 3.17Å; Q71-D131 HydrophobicContact CG-CB 4.04Å; Q71-D131 WeakPolarHBondContact CG-OD2 3.3Å; Q71-D131 PolarHBondContact NE2-OD2 2.85Å
132H61.1Low81.9Confident92 Ų9246.1 Ų46.143%0.42625%0.247SC..SBendtrans-121.9116.4179.7-71.4-45.7000111.1Q71 P130 R214Q71-H132 PolarHBondContact NE2-CD2 3.23Å; Q71-H132 PolarHBondContact NE2-NE2 2.87Å; Q71-H132 PolarHBondContact OE1-CE1 3.18Å; Q71-H132 PolarHBondContact OE1-NE2 3.45Å; P130-H132 PolarHBondContact O-N 2.91Å; H132-R214 PolarHBondContact CE1-NH2 2.69Å; H132-R214 PolarHBondContact ND1-NH1 2.83Å; H132-R214 PolarHBondContact ND1-NH2 2.84Å
133G63.5Low81.7Confident36 Ų3645.5 Ų45.537%0.37125%0.254SS..SBendtrans94.3-147.2173.300000114W129W129-G133 PolarHBondContact NE1-O 3.33Å
134V67.3Low81.5Confident29 Ų2945.5 Ų45.518%0.17625%0.254CS..SBendtrans-118.7157.4176.7-64.10000108.6P130 E136 S219 A220P130-V134 VanDerWaalsContact CG-C 3.47Å; P130-V134 WeakPolarHBondContact CG-O 3.44Å; V134-E136 PolarHBondContact O-N 3.29Å; V134-S219 WeakPolarHBondContact CG2-OG 2.99Å; V134-A220 HydrophobicContact CB-CB 4.25Å; V134-A220 HydrophobicContact CG1-CB 4.1Å
135P66.1Low81.4Confident17 Ų1745.8 Ų45.811%0.1126%0.255CS..  trans-49.4141.1172.1-26.335.3000111.3F126 W129 T137F126-P135 HydrophobicContact CE1-CG 4.38Å; W129-P135 HydrophobicContact CD2-CG 4.38Å; P135-T137 PolarHBondContact O-N 2.95Å
136E60.2Low81.4Confident203 Ų20349.2 Ų49.295%0.94927%0.271SS*.SBendtrans-60.7-28.8-177.2-70.8-173.1169.500112.3V134V134-E136 PolarHBondContact O-N 3.29Å
137T65.3Low81.4Confident73 Ų7351.4 Ų51.445%0.44828%0.283SS..  trans-124136.5173.9620000110.7P135 E139P135-T137 PolarHBondContact O-N 2.95Å; T137-E139 PolarHBondContact O-N 3.46Å
138T75.9Confident81.6Confident59 Ų5950.5 Ų50.536%0.36228%0.277SS..Hα-helixtrans-71.3-22.7174.650.60000112.6L140 L141 I142 S219T138-L140 PolarHBondContact O-N 3.24Å; T138-L141 PolarHBondContact O-N 3.38Å; T138-L141 VanDerWaalsContact O-N 3.13Å; T138-I142 WeakPolarHBondContact O-CG1 3.38Å; T138-I142 PolarHBondContact O-N 2.85Å; T138-S219 WeakPolarHBondContact CG2-O 3.47Å
139E84.6Confident81.9Confident137 Ų13749.6 Ų49.664%0.6427%0.268SS*.Hα-helixtrans-53.8-39-179.4-62.6179.9177.800112.8T137 I142 S143T137-E139 PolarHBondContact O-N 3.46Å; E139-I142 PolarHBondContact O-N 2.92Å; E139-S143 WeakPolarHBondContact O-CB 3.44Å; E139-S143 PolarHBondContact O-N 2.67Å; E139-S143 PolarHBondContact O-OG 3.27Å
140L88.9Confident82.4Confident35 Ų3555.3 Ų55.318%0.18330%0.295CS..Hα-helixtrans-68.7-41.7-178.5-17561.9000111.9D102 W103 F126 A128 T138 S143 F144D102-L140 HydrophobicContact CB-CD1 3.74Å; D102-L140 HydrophobicContact CB-CD2 4Å; D102-L140 HydrophobicContact CB-CG 4.31Å; D102-L140 VanDerWaalsContact OD2-CD1 3.3Å; D102-L140 WeakPolarHBondContact OD2-CD1 3.34Å; W103-L140 HydrophobicContact CE3-CD1 4.45Å; W103-L140 HydrophobicContact CH2-CD1 4.46Å; W103-L140 HydrophobicContact CZ3-CD1 3.69Å; F126-L140 HydrophobicContact CE2-CD2 4.15Å; F126-L140 HydrophobicContact CE2-CG 3.87Å; F126-L140 HydrophobicContact CZ-CD2 3.85Å; F126-L140 HydrophobicContact CZ-CG 3.88Å; A128-L140 HydrophobicContact CB-CD2 3.48Å; A128-L140 VanDerWaalsContact CB-CD2 3.48Å; T138-L140 PolarHBondContact O-N 3.24Å; L140-S143 PolarHBondContact O-N 2.94Å; L140-F144 WeakPolarHBondContact O-CB 3.26Å; L140-F144 PolarHBondContact O-N 3.45Å
141L88.6Confident83.3Confident4 Ų454.4 Ų54.42%0.02129%0.287CS..Hα-helixtrans-70.5-36178-172.555000111.4W129 T138 R145 T174 F175 I178W129-L141 HydrophobicContact CE3-CD1 4.42Å; W129-L141 HydrophobicContact CH2-CD2 3.74Å; W129-L141 HydrophobicContact CZ3-CD1 3.83Å; W129-L141 HydrophobicContact CZ3-CD2 3.68Å; W129-L141 HydrophobicContact CZ3-CG 4.45Å; T138-L141 PolarHBondContact O-N 3.38Å; T138-L141 VanDerWaalsContact O-N 3.13Å; L141-R145 VanDerWaalsContact O-CB 3.31Å; L141-R145 WeakPolarHBondContact O-CB 3.3Å; L141-R145 PolarHBondContact O-N 2.79Å; L141-T174 HydrophobicContact CD2-CG2 4.3Å; L141-F175 HydrophobicContact CD1-CD2 4.08Å; L141-I178 HydrophobicContact CD2-CD1 3.27Å; L141-I178 HydrophobicContact CG-CD1 3.87Å
142I92.4Very high84.9Confident56 Ų5652.9 Ų52.929%0.28728%0.279SS..Hα-helixtrans-63.7-45.7172.6-67167.5000110.4T138 E139 R145 H146 I182T138-I142 WeakPolarHBondContact O-CG1 3.38Å; T138-I142 PolarHBondContact O-N 2.85Å; E139-I142 PolarHBondContact O-N 2.92Å; I142-R145 WeakPolarHBondContact O-CB 3.38Å; I142-R145 PolarHBondContact O-N 2.74Å; I142-H146 WeakPolarHBondContact CG2-NE2 3.46Å; I142-H146 PolarHBondContact O-CD2 3.13Å; I142-H146 PolarHBondContact O-N 3.28Å; I142-I182 HydrophobicContact CG1-CD1 4.34Å; I142-I182 HydrophobicContact CG2-CD1 4.24Å
143S94.4Very high86.5Confident61 Ų6152 Ų5243%0.42728%0.277SS..Hα-helixtrans-61.2-46.6177.5-60.90000111.7E139 L140 R145 H146 L147E139-S143 WeakPolarHBondContact O-CB 3.44Å; E139-S143 PolarHBondContact O-N 2.67Å; E139-S143 PolarHBondContact O-OG 3.27Å; L140-S143 PolarHBondContact O-N 2.94Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 3.3Å; S143-H146 PolarHBondContact O-N 2.85Å; S143-L147 PolarHBondContact O-N 2.75Å; S143-L147 VanDerWaalsContact O-N 3.09Å
144F96.3Very high88Confident0 Ų056.2 Ų56.20%029%0.287CS..Hα-helixtrans-60.9-41.3174.4-179.6-105.9000111.9V63 L65 W103 F124 F126 L140 H146 L147 V148 F175V63-F144 HydrophobicContact CG1-CE1 3.73Å; V63-F144 HydrophobicContact CG1-CZ 4.09Å; L65-F144 HydrophobicContact CD2-CE1 3.97Å; W103-F144 HydrophobicContact CB-CD2 4.06Å; W103-F144 HydrophobicContact CB-CE2 3.9Å; W103-F144 AromaticContact CD2-CD2 3.75Å; W103-F144 HydrophobicContact CD2-CD2 3.75Å; W103-F144 HydrophobicContact CD2-CE2 4.41Å; W103-F144 HydrophobicContact CE3-CB 3.97Å; W103-F144 AromaticContact CE3-CD2 3.62Å; W103-F144 HydrophobicContact CE3-CD2 3.62Å; W103-F144 HydrophobicContact CE3-CG 4.21Å; W103-F144 AromaticContact CG-CD2 3.97Å; W103-F144 HydrophobicContact CG-CD2 3.97Å; W103-F144 HydrophobicContact CG-CE2 4.15Å; W103-F144 HydrophobicContact CZ3-CB 3.89Å; W103-F144 HydrophobicContact CZ3-CD2 4.3Å; F124-F144 HydrophobicContact CB-CE2 3.82Å; F124-F144 HydrophobicContact CB-CZ 3.58Å; F126-F144 HydrophobicContact CB-CD1 4.13Å; F126-F144 HydrophobicContact CB-CD2 4.41Å; F126-F144 HydrophobicContact CB-CE1 3.78Å; F126-F144 HydrophobicContact CB-CE2 4.06Å; F126-F144 HydrophobicContact CB-CG 4.43Å; F126-F144 HydrophobicContact CB-CZ 3.72Å; F126-F144 HydrophobicContact CD2-CB 3.85Å; F126-F144 AromaticContact CD2-CD1 3.87Å; F126-F144 HydrophobicContact CD2-CD1 3.87Å; F126-F144 AromaticContact CD2-CD2 3.74Å; F126-F144 HydrophobicContact CD2-CD2 3.74Å; F126-F144 HydrophobicContact CD2-CE1 4.36Å; F126-F144 HydrophobicContact CD2-CE2 4.22Å; F126-F144 AromaticContact CD2-CG 3.54Å; F126-F144 HydrophobicContact CD2-CG 3.54Å; F126-F144 HydrophobicContact CE2-CB 3.97Å; F126-F144 HydrophobicContact CE2-CG 4.17Å; F126-F144 HydrophobicContact CG-CD1 4.2Å; F126-F144 HydrophobicContact CG-CE1 4.35Å; F126-F144 HydrophobicContact CG-CG 4.3Å; L140-F144 WeakPolarHBondContact O-CB 3.26Å; L140-F144 PolarHBondContact O-N 3.45Å; F144-H146 PolarHBondContact O-N 3.08Å; F144-L147 WeakPolarHBondContact O-CB 3.22Å; F144-L147 PolarHBondContact O-N 3.21Å; F144-V148 HydrophobicContact CD1-CG2 4.34Å; F144-V148 HydrophobicContact CE1-CG2 3.94Å; F144-V148 HydrophobicContact CE2-CG2 4.37Å; F144-V148 HydrophobicContact CZ-CG2 3.96Å; F144-V148 WeakPolarHBondContact O-CG2 3.44Å; F144-V148 PolarHBondContact O-N 2.69Å; F144-F175 HydrophobicContact CD1-CD2 4.33Å; F144-F175 AromaticContact CD1-CE2 3.76Å; F144-F175 HydrophobicContact CD1-CE2 3.76Å; F144-F175 HydrophobicContact CE1-CD2 4.46Å; F144-F175 AromaticContact CE1-CE2 3.91Å; F144-F175 HydrophobicContact CE1-CE2 3.91Å
145R96.3Very high89.3Confident7 Ų760.5 Ų60.53%0.02630%0.301CS..Hα-helixtrans-60-44.4174179.3-84-179.6-170.311.2111.6L141 I142 S143 L147 V148 R149 F175 D179 F183L141-R145 VanDerWaalsContact O-CB 3.31Å; L141-R145 WeakPolarHBondContact O-CB 3.3Å; L141-R145 PolarHBondContact O-N 2.79Å; I142-R145 WeakPolarHBondContact O-CB 3.38Å; I142-R145 PolarHBondContact O-N 2.74Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 3.3Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.93Å; R145-V148 PolarHBondContact O-N 3.47Å; R145-R149 VanDerWaalsContact O-CB 3.26Å; R145-R149 WeakPolarHBondContact O-CB 3.07Å; R145-R149 PolarHBondContact O-N 2.73Å; R145-F175 HydrophobicContact CB-CE2 3.99Å; R145-F175 HydrophobicContact CB-CZ 4.45Å; R145-F175 HydrophobicContact CG-CE2 4.39Å; R145-F175 HydrophobicContact CG-CZ 4.46Å; R145-D179 HydrophobicContact CG-CB 4.23Å; R145-D179 IonicContact CZ-OD1 3.89Å; R145-D179 IonicContact NE-OD1 3.09Å; R145-D179 PolarHBondContact NE-OD1 3.21Å; R145-D179 PolarHBondContact NH2-O 2.95Å; R145-D179 IonicContact NH2-OD1 2.77Å; R145-D179 PolarHBondContact NH2-OD1 3.49Å; R145-F183 VanDerWaalsContact NH2-CD2 3.3Å
146H97.3Very high90.4Very high84 Ų8460 Ų6039%0.38930%0.298SS..Hα-helixtrans-60.4-44.4178-75.5-60.4000111.8I142 S143 F144 V148 R149 E150I142-H146 WeakPolarHBondContact CG2-NE2 3.46Å; I142-H146 PolarHBondContact O-CD2 3.13Å; I142-H146 PolarHBondContact O-N 3.28Å; S143-H146 PolarHBondContact O-N 2.85Å; F144-H146 PolarHBondContact O-N 3.08Å; H146-V148 PolarHBondContact O-N 3.26Å; H146-R149 PolarHBondContact O-N 3.38Å; H146-E150 WeakPolarHBondContact O-CB 3.18Å; H146-E150 PolarHBondContact O-N 3.29Å
147L97.6Very high91.4Very high47 Ų4760.4 Ų60.425%0.24629%0.291CS..Hα-helixtrans-58.1-48.3175.5174.668.3000112.1W103 I105 F124 S143 F144 R145 R149 H151W103-L147 HydrophobicContact CZ2-CD2 4.1Å; I105-L147 HydrophobicContact CD1-CD2 3.95Å; F124-L147 HydrophobicContact CD1-CD2 4.06Å; F124-L147 HydrophobicContact CD1-CG 4.21Å; F124-L147 HydrophobicContact CE1-CD1 4.38Å; F124-L147 HydrophobicContact CE1-CD2 4.05Å; F124-L147 HydrophobicContact CE1-CG 3.79Å; S143-L147 PolarHBondContact O-N 2.75Å; S143-L147 VanDerWaalsContact O-N 3.09Å; F144-L147 WeakPolarHBondContact O-CB 3.22Å; F144-L147 PolarHBondContact O-N 3.21Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.93Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.08Å; L147-H151 PolarHBondContact O-N 3.26Å
148V98.2Very high92.4Very high1 Ų164.6 Ų64.61%0.00631%0.311CS..Hα-helixtrans-61.3-45.1176.6172.20000110.4T61 V63 F124 F144 R145 H146 E150 H151 M152 F175T61-V148 HydrophobicContact CG2-CG1 4.18Å; V63-V148 HydrophobicContact CG2-CG1 3.69Å; V63-V148 HydrophobicContact CG2-CG2 4.06Å; F124-V148 HydrophobicContact CB-CG2 3.9Å; F124-V148 HydrophobicContact CD1-CG2 4.06Å; F124-V148 HydrophobicContact CD2-CG2 4.08Å; F124-V148 HydrophobicContact CG-CG2 3.76Å; F144-V148 HydrophobicContact CD1-CG2 4.34Å; F144-V148 HydrophobicContact CE1-CG2 3.94Å; F144-V148 HydrophobicContact CE2-CG2 4.37Å; F144-V148 HydrophobicContact CZ-CG2 3.96Å; F144-V148 WeakPolarHBondContact O-CG2 3.44Å; F144-V148 PolarHBondContact O-N 2.69Å; R145-V148 PolarHBondContact O-N 3.47Å; H146-V148 PolarHBondContact O-N 3.26Å; V148-E150 PolarHBondContact O-N 3.49Å; V148-H151 PolarHBondContact O-N 3.2Å; V148-M152 HydrophobicContact CG1-CG 4.2Å; V148-M152 HydrophobicContact CG1-SD 3.82Å; V148-M152 WeakPolarHBondContact O-CG 3.38Å; V148-M152 PolarHBondContact O-N 3.49Å; V148-F175 HydrophobicContact CB-CZ 4.16Å; V148-F175 HydrophobicContact CG1-CZ 4.08Å; V148-F175 HydrophobicContact CG2-CZ 4.21Å
149R96.9Very high93.3Very high9 Ų962.4 Ų62.43%0.03430%0.298CS..Hα-helixtrans-66.7-37.1-176.6-17655.263.8174.87.3112.6E35 F36 R145 H146 L147 H151 M152 N153 D179E35-R149 IonicContact OE1-CZ 3.8Å; E35-R149 IonicContact OE1-NH1 3.66Å; E35-R149 PolarHBondContact OE1-NH1 2.82Å; E35-R149 IonicContact OE1-NH2 2.63Å; E35-R149 PolarHBondContact OE1-NH2 2.91Å; F36-R149 VanDerWaalsContact CZ-NH2 3.29Å; R145-R149 VanDerWaalsContact O-CB 3.26Å; R145-R149 WeakPolarHBondContact O-CB 3.07Å; R145-R149 PolarHBondContact O-N 2.73Å; H146-R149 PolarHBondContact O-N 3.38Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.08Å; R149-H151 VanDerWaalsContact C-N 3.32Å; R149-H151 PolarHBondContact O-N 3.18Å; R149-M152 VanDerWaalsContact CZ-CE 3.49Å; R149-M152 PolarHBondContact O-N 3.34Å; R149-N153 WeakPolarHBondContact O-CB 3.45Å; R149-N153 PolarHBondContact O-N 2.84Å; R149-N153 PolarHBondContact O-ND2 3.16Å; R149-D179 IonicContact CZ-OD1 3.75Å; R149-D179 IonicContact CZ-OD2 2.87Å; R149-D179 IonicContact NE-OD1 2.81Å; R149-D179 PolarHBondContact NE-OD1 2.83Å; R149-D179 VanDerWaalsContact NE-OD1 3.14Å; R149-D179 IonicContact NH2-OD1 3.67Å; R149-D179 PolarHBondContact NH2-OD1 3.18Å; R149-D179 IonicContact NH2-OD2 3.52Å; R149-D179 PolarHBondContact NH2-OD2 3.04Å
150E97.4Very high93.9Very high129 Ų12956.6 Ų56.660%0.60327%0.272SS*.Hα-helixtrans-56.5-48.8173-176.6178.6-175.100110.6H146 V148 N153 Q154H146-E150 WeakPolarHBondContact O-CB 3.18Å; H146-E150 PolarHBondContact O-N 3.29Å; V148-E150 PolarHBondContact O-N 3.49Å; E150-N153 PolarHBondContact O-N 2.95Å; E150-Q154 PolarHBondContact O-N 2.89Å
151H97.5Very high94.4Very high19 Ų1955 Ų559%0.08826%0.263CS..Hα-helixtrans-64.5-44.4176.8-173.279.6000112.4T61 R122 F124 L147 V148 R149 N153 Q154 Y155T61-H151 PolarHBondContact OG1-CD2 2.8Å; T61-H151 VanDerWaalsContact OG1-CD2 3.3Å; R122-H151 WeakPolarHBondContact CB-NE2 3.06Å; F124-H151 HydrophobicContact CE2-CB 4.01Å; F124-H151 AromaticContact CE2-CD2 3.83Å; F124-H151 AromaticContact CE2-CG 3.94Å; F124-H151 HydrophobicContact CZ-CB 3.6Å; F124-H151 AromaticContact CZ-CG 3.78Å; L147-H151 PolarHBondContact O-N 3.26Å; V148-H151 PolarHBondContact O-N 3.2Å; R149-H151 VanDerWaalsContact C-N 3.32Å; R149-H151 PolarHBondContact O-N 3.18Å; H151-N153 VanDerWaalsContact C-N 3.31Å; H151-N153 PolarHBondContact O-N 2.91Å; H151-Q154 PolarHBondContact O-N 3.22Å; H151-Y155 AromaticContact CE1-CD2 3.23Å; H151-Y155 WeakPolarHBondContact CE1-CD2 3.49Å; H151-Y155 AromaticContact CE1-CE2 3.7Å; H151-Y155 AromaticContact CE1-CG 3.93Å; H151-Y155 AromaticContact CG-CD2 3.86Å; H151-Y155 AromaticContact ND1-CD2 3.22Å; H151-Y155 WeakPolarHBondContact ND1-CD2 3.43Å; H151-Y155 AromaticContact ND1-CE2 3.46Å; H151-Y155 WeakPolarHBondContact ND1-CE2 3.21Å; H151-Y155 AromaticContact NE2-CD2 3.87Å; H151-Y155 WeakPolarHBondContact O-CD2 3.38Å; H151-Y155 PolarHBondContact O-N 3.32Å
152M96.9Very high94.8Very high12 Ų1254.8 Ų54.86%0.05926%0.262CS..Hα-helixtrans-57.5-42.9176.7-71172.969.200112.2E35 F36 T61 V148 R149 Q154 S156 T161E35-M152 HydrophobicContact CG-CE 4.24Å; F36-M152 HydrophobicContact CD1-CE 4.42Å; F36-M152 HydrophobicContact CE1-CE 3.75Å; F36-M152 HydrophobicContact CE1-SD 4.23Å; F36-M152 HydrophobicContact CZ-CE 4.23Å; T61-M152 HydrophobicContact CG2-CG 4.22Å; V148-M152 HydrophobicContact CG1-CG 4.2Å; V148-M152 HydrophobicContact CG1-SD 3.82Å; V148-M152 WeakPolarHBondContact O-CG 3.38Å; V148-M152 PolarHBondContact O-N 3.49Å; R149-M152 VanDerWaalsContact CZ-CE 3.49Å; R149-M152 PolarHBondContact O-N 3.34Å; M152-Q154 VanDerWaalsContact C-N 3.29Å; M152-Q154 PolarHBondContact O-N 2.87Å; M152-S156 CarbonylContact O-C 3.56Å; M152-S156 WeakPolarHBondContact O-CA 3.33Å; M152-S156 PolarHBondContact O-N 3.42Å; M152-T161 VanDerWaalsContact CE-OG1 3.3Å; M152-T161 WeakPolarHBondContact CE-OG1 3.35Å; M152-T161 WeakPolarHBondContact CG-OG1 3.38Å; M152-T161 HydrophobicContact SD-CG2 4.25Å
153N95.1Very high95.2Very high75 Ų7552.1 Ų52.140%0.40125%0.249SC..Hα-helixtrans-67-32.1-178.6-72.8-19.4000112.8R149 E150 H151 R157R149-N153 WeakPolarHBondContact O-CB 3.45Å; R149-N153 PolarHBondContact O-N 2.84Å; R149-N153 PolarHBondContact O-ND2 3.16Å; E150-N153 PolarHBondContact O-N 2.95Å; H151-N153 VanDerWaalsContact C-N 3.31Å; H151-N153 PolarHBondContact O-N 2.91Å; N153-R157 PolarHBondContact O-NE 2.91Å; N153-R157 VanDerWaalsContact O-NE 3.13Å
154Q95.7Very high95.4Very high124 Ų12449.2 Ų49.258%0.57923%0.228SC*.Hα-helixtrans-82.2-42.5-178.9-172.4173.810.400112.3E150 H151 M152E150-Q154 PolarHBondContact O-N 2.89Å; H151-Q154 PolarHBondContact O-N 3.22Å; M152-Q154 VanDerWaalsContact C-N 3.29Å; M152-Q154 PolarHBondContact O-N 2.87Å
155Y93.8Very high95.3Very high119 Ų11949.5 Ų49.547%0.46723%0.231SC..Hα-helixtrans-113.3-40.6-169.7-56.6-77.4000113Q60 H151 R157Q60-Y155 PolarHBondContact OE1-O 3.22Å; H151-Y155 AromaticContact CE1-CD2 3.23Å; H151-Y155 WeakPolarHBondContact CE1-CD2 3.49Å; H151-Y155 AromaticContact CE1-CE2 3.7Å; H151-Y155 AromaticContact CE1-CG 3.93Å; H151-Y155 AromaticContact CG-CD2 3.86Å; H151-Y155 AromaticContact ND1-CD2 3.22Å; H151-Y155 WeakPolarHBondContact ND1-CD2 3.43Å; H151-Y155 AromaticContact ND1-CE2 3.46Å; H151-Y155 WeakPolarHBondContact ND1-CE2 3.21Å; H151-Y155 AromaticContact NE2-CD2 3.87Å; H151-Y155 WeakPolarHBondContact O-CD2 3.38Å; H151-Y155 PolarHBondContact O-N 3.32Å; Y155-R157 PolarHBondContact O-N 3.17Å
156S89.6Confident95.3Very high7 Ų751.1 Ų51.15%0.04924%0.243CC..  trans-97.624.1-165.5-49.40000116.3T61 M152 N158 S159T61-S156 PolarHBondContact OG1-OG 3.49Å; M152-S156 CarbonylContact O-C 3.56Å; M152-S156 WeakPolarHBondContact O-CA 3.33Å; M152-S156 PolarHBondContact O-N 3.42Å; S156-N158 PolarHBondContact O-N 3.47Å; S156-S159 PolarHBondContact O-N 3.04Å
157R80.6Confident95.2Very high210 Ų21049.5 Ų49.579%0.79224%0.244SC*.THydrogen-bonded Turntrans-52.1-33.1-173.3-72.4-174.7-179-175.9-2115.5N153 Y155N153-R157 PolarHBondContact O-NE 2.91Å; N153-R157 VanDerWaalsContact O-NE 3.13Å; Y155-R157 PolarHBondContact O-N 3.17Å
158N86Confident95Very high162 Ų16247.3 Ų47.387%0.86623%0.232SC*.THydrogen-bonded Turntrans-11824.4-179.4-61.6-36.7000112.4S156S156-N158 PolarHBondContact O-N 3.47Å
159S94.8Very high94.9Very high12 Ų1247.9 Ų47.98%0.08424%0.236CC..SBendtrans-132.2131.5-174.3168.20000110N58 V59 Q60 S156N58-S159 VanDerWaalsContact O-CB 3.25Å; N58-S159 WeakPolarHBondContact O-CB 2.94Å; N58-S159 PolarHBondContact O-OG 3.49Å; V59-S159 WeakPolarHBondContact CA-OG 3.45Å; Q60-S159 PolarHBondContact N-OG 3.29Å; S156-S159 PolarHBondContact O-N 3.04Å
160P97.7Very high94.7Very high16 Ų1648.1 Ų48.110%0.10424%0.241CC..PPolyproline II helixtrans-67.7141.517429-32.8000110.5E35 I37 K57 V59E35-P160 WeakPolarHBondContact O-CA 3.42Å; I37-P160 HydrophobicContact CD1-CB 3.91Å; I37-P160 HydrophobicContact CD1-CG 3.65Å; I37-P160 HydrophobicContact CG1-CB 3.93Å; I37-P160 HydrophobicContact CG1-CG 4.24Å; K57-P160 HydrophobicContact CB-CG 4.37Å; K57-P160 WeakPolarHBondContact O-CD 3.22Å; V59-P160 HydrophobicContact CG2-CG 4.32Å
161T98.7Very high94.5Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-87.2126.3168.8-68.90000110.1E35 F36 I37 T61 V63 M152 V163E35-T161 PolarHBondContact O-N 2.72Å; F36-T161 CarbonylContact C-O 3.5Å; F36-T161 WeakPolarHBondContact CA-O 3.43Å; F36-T161 HydrophobicContact CD1-CG2 4.25Å; I37-T161 PolarHBondContact N-O 3.3Å; T61-T161 WeakPolarHBondContact CB-OG1 3.43Å; T61-T161 HydrophobicContact CG2-CG2 3.64Å; V63-T161 HydrophobicContact CG2-CG2 3.84Å; M152-T161 VanDerWaalsContact CE-OG1 3.3Å; M152-T161 WeakPolarHBondContact CE-OG1 3.35Å; M152-T161 WeakPolarHBondContact CG-OG1 3.38Å; M152-T161 HydrophobicContact SD-CG2 4.25Å; T161-V163 HydrophobicContact CG2-CG2 4.12Å
162V98.9Very high94.5Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-81.3127173.3171.70000108.4I37 A39 F50 M53 V59 T61 L62 V63I37-V162 HydrophobicContact CB-CG2 3.96Å; I37-V162 HydrophobicContact CD1-CG2 4.25Å; I37-V162 HydrophobicContact CG2-CG2 4.18Å; I37-V162 CarbonylContact O-C 3.47Å; I37-V162 WeakPolarHBondContact O-CA 3.23Å; A39-V162 HydrophobicContact CB-CG1 4.19Å; F50-V162 HydrophobicContact CE2-CG1 4.09Å; F50-V162 HydrophobicContact CZ-CG1 4.1Å; M53-V162 HydrophobicContact CE-CG1 4.17Å; M53-V162 HydrophobicContact CE-CG2 3.89Å; V59-V162 HydrophobicContact CB-CG2 4.27Å; V59-V162 HydrophobicContact CG1-CB 4.22Å; V59-V162 HydrophobicContact CG1-CG2 3.72Å; V59-V162 HydrophobicContact CG2-CG2 3.6Å; T61-V162 PolarHBondContact O-N 2.86Å; L62-V162 CarbonylContact C-O 3.51Å; L62-V162 HydrophobicContact CD2-CB 3.62Å; L62-V162 HydrophobicContact CD2-CG1 4.01Å; L62-V162 HydrophobicContact CD2-CG2 4.17Å; V63-V162 PolarHBondContact N-O 3.36Å
163V98.9Very high94.4Very high0 Ų041.8 Ų41.80%021%0.21CC..EExtended strand (participates in β ladder)trans-120.1124.8173.8-171.80000107.9F36 I37 A38 A39 V63 L65 T161 T172 F175 I176F36-V163 HydrophobicContact CD1-CG2 3.79Å; F36-V163 HydrophobicContact CE1-CG2 4.37Å; I37-V163 PolarHBondContact O-N 3.47Å; A38-V163 WeakPolarHBondContact CA-O 3.49Å; A39-V163 PolarHBondContact N-O 3.15Å; V63-V163 HydrophobicContact CB-CB 4.37Å; V63-V163 HydrophobicContact CB-CG1 4.14Å; V63-V163 HydrophobicContact CB-CG2 4.15Å; V63-V163 HydrophobicContact CG1-CG1 4.16Å; V63-V163 HydrophobicContact CG2-CG2 4.37Å; V63-V163 CarbonylContact O-C 3.6Å; V63-V163 WeakPolarHBondContact O-CA 3.35Å; L65-V163 HydrophobicContact CD1-CG1 3.69Å; L65-V163 HydrophobicContact CG-CG1 4.44Å; T161-V163 HydrophobicContact CG2-CG2 4.12Å; V163-T172 HydrophobicContact CB-CG2 4.04Å; V163-T172 HydrophobicContact CG1-CG2 3.88Å; V163-T172 VanDerWaalsContact O-CG2 3.3Å; V163-T172 WeakPolarHBondContact O-CG2 3.17Å; V163-F175 HydrophobicContact CG1-CB 4.46Å; V163-F175 HydrophobicContact CG1-CD1 3.83Å; V163-F175 HydrophobicContact CG1-CG 4.38Å; V163-F175 HydrophobicContact CG2-CD1 4.11Å; V163-F175 HydrophobicContact CG2-CE1 4.19Å; V163-I176 HydrophobicContact CB-CD1 4.34Å; V163-I176 HydrophobicContact CB-CG1 4.49Å; V163-I176 HydrophobicContact CG2-CD1 4.44Å; V163-I176 HydrophobicContact CG2-CG1 4.28Å
164H98.7Very high94.4Very high0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-138.9157.2179.381.291.6000112.2A39 V63 M64 L65 Y79 T172A39-H164 HydrophobicContact CB-CB 4.27Å; A39-H164 WeakPolarHBondContact O-CA 3.38Å; A39-H164 WeakPolarHBondContact O-CB 3.28Å; V63-H164 PolarHBondContact O-CD2 2.63Å; V63-H164 PolarHBondContact O-N 3.36Å; M64-H164 WeakPolarHBondContact CB-NE2 3.5Å; M64-H164 WeakPolarHBondContact CG-CE1 3.45Å; L65-H164 PolarHBondContact N-O 2.91Å; Y79-H164 AromaticContact CE1-CE1 3.65Å; Y79-H164 AromaticContact CE1-NE2 3.49Å; Y79-H164 WeakPolarHBondContact CE1-NE2 3.37Å; Y79-H164 AromaticContact CZ-NE2 3.54Å; Y79-H164 PolarHBondContact OH-NE2 2.73Å; H164-T172 VanDerWaalsContact C-OG1 3.28Å; H164-T172 WeakPolarHBondContact CA-OG1 3.44Å
165C95.8Very high94.4Very high7 Ų732.6 Ų32.65%0.04717%0.165CC..  trans-131-126.8167.563.20000107.7G41 L65 G168 R171 T172G41-C165 WeakPolarHBondContact CA-O 3.17Å; G41-C165 PolarHBondContact N-O 3.02Å; L65-C165 HydrophobicContact CB-CB 4.14Å; C165-G168 PolarHBondContact SG-N 3.01Å; C165-R171 HydrophobicContact CB-CB 3.97Å; C165-T172 PolarHBondContact N-OG1 3.42Å; C165-T172 PolarHBondContact SG-OG1 3.32Å; C165-T172 VanDerWaalsContact SG-OG1 3.36Å
166S95.5Very high94.6Very high40 Ų4027 Ų2728%0.2814%0.143SC..SBendtrans-84.9-71168.8-173.20000111Q40 G41 K75Q40-S166 WeakPolarHBondContact CG-O 3.28Å; G41-S166 PolarHBondContact N-O 3.02Å; K75-S166 WeakPolarHBondContact O-CA 3.48Å; K75-S166 VanDerWaalsContact O-CB 3.28Å; K75-S166 WeakPolarHBondContact O-CB 3.26Å; K75-S166 PolarHBondContact O-OG 2.92Å
167A94.2Very high94.9Very high51 Ų5126.6 Ų26.642%0.42114%0.141SC..SBendtrans-82.1-12.8178.400000114.4V169 R204A167-V169 HydrophobicContact CB-CG2 4.05Å; A167-R204 PolarHBondContact O-NH2 3.46Å
168G95.3Very high95.6Very high0 Ų017.1 Ų17.10%011%0.105CC..SBendtrans7429-17900000114.6A39 C165 R204A39-G168 WeakPolarHBondContact O-CA 3.34Å; C165-G168 PolarHBondContact SG-N 3.01Å; G168-R204 PolarHBondContact O-NE 2.87Å
169V94.9Very high96.1Very high13 Ų139.5 Ų9.58%0.0797%0.065CC..SBendtrans-134.8-40.6-177.5-61.90000114.3A167 G173 R204 P205 L206 M207 V208 Q209A167-V169 HydrophobicContact CB-CG2 4.05Å; V169-G173 WeakPolarHBondContact O-CA 3.48Å; V169-G173 PolarHBondContact O-N 3.38Å; V169-R204 HydrophobicContact CG1-CG 4.21Å; V169-P205 WeakPolarHBondContact CG1-O 3.29Å; V169-L206 HydrophobicContact CB-CB 4.38Å; V169-L206 HydrophobicContact CG2-CB 4.35Å; V169-M207 HydrophobicContact CB-SD 4.29Å; V169-M207 HydrophobicContact CG1-SD 4.33Å; V169-M207 WeakPolarHBondContact O-CA 3.49Å; V169-V208 PolarHBondContact O-N 3.36Å; V169-Q209 HydrophobicContact CG2-CB 4.32Å
170G92.3Very high96.2Very high14 Ų1410.5 Ų10.514%0.1447%0.067CC..Hα-helixtrans-71.3-91.7179.500000112.7T172 G173 T174G170-T172 VanDerWaalsContact C-N 3.25Å; G170-T172 PolarHBondContact O-N 2.85Å; G170-G173 PolarHBondContact O-N 2.96Å; G170-T174 PolarHBondContact O-N 2.85Å; G170-T174 PolarHBondContact O-OG1 2.61Å
171R93.8Very high96Very high28 Ų2810.1 Ų10.111%0.1066%0.064CC..Hα-helixtrans-54.7-39.9178.8-54.5-177.6178160.84112.8L65 T66 E70 W129 P130 C165 G173 T174 F175L65-R171 HydrophobicContact CB-CB 3.93Å; L65-R171 HydrophobicContact CD1-CB 4.22Å; L65-R171 WeakPolarHBondContact CD1-O 3.3Å; L65-R171 WeakPolarHBondContact O-CD 3.25Å; L65-R171 PolarHBondContact O-NH1 2.82Å; T66-R171 PolarHBondContact OG1-NH1 2.79Å; E70-R171 IonicContact OE1-CZ 3.66Å; E70-R171 IonicContact OE1-NH1 3.67Å; E70-R171 PolarHBondContact OE1-NH1 3.2Å; E70-R171 IonicContact OE1-NH2 3.46Å; E70-R171 PolarHBondContact OE1-NH2 3.3Å; E70-R171 IonicContact OE2-CZ 2.72Å; E70-R171 IonicContact OE2-NH1 2.97Å; E70-R171 PolarHBondContact OE2-NH1 2.87Å; E70-R171 IonicContact OE2-NH2 3.14Å; E70-R171 PolarHBondContact OE2-NH2 2.82Å; W129-R171 HydrophobicContact CD2-CB 4.21Å; W129-R171 VanDerWaalsContact CD2-CD 3.44Å; W129-R171 HydrophobicContact CD2-CG 3.76Å; W129-R171 VanDerWaalsContact CE2-CG 3.48Å; W129-R171 HydrophobicContact CE3-CB 4.1Å; W129-R171 HydrophobicContact CE3-CG 4.17Å; W129-R171 VanDerWaalsContact CG-CD 3.5Å; W129-R171 HydrophobicContact CG-CG 4.27Å; W129-R171 VanDerWaalsContact CG-NE 3.31Å; W129-R171 HydrophobicContact CH2-CB 3.88Å; W129-R171 HydrophobicContact CH2-CG 4.12Å; W129-R171 HydrophobicContact CZ2-CB 3.99Å; W129-R171 HydrophobicContact CZ2-CG 3.69Å; W129-R171 HydrophobicContact CZ3-CB 3.93Å; W129-R171 HydrophobicContact CZ3-CG 4.34Å; P130-R171 PolarHBondContact O-NH2 2.93Å; C165-R171 HydrophobicContact CB-CB 3.97Å; R171-G173 PolarHBondContact O-N 2.86Å; R171-T174 PolarHBondContact O-N 2.69Å; R171-F175 PolarHBondContact O-N 2.77Å
172T97.1Very high95.9Very high0 Ų011.1 Ų11.10%07%0.069CC..Hα-helixtrans-56.5-47.9172.6-60.10000112.4A38 V163 H164 C165 G170 I176 M207A38-T172 HydrophobicContact CB-CG2 3.68Å; V163-T172 HydrophobicContact CB-CG2 4.04Å; V163-T172 HydrophobicContact CG1-CG2 3.88Å; V163-T172 VanDerWaalsContact O-CG2 3.3Å; V163-T172 WeakPolarHBondContact O-CG2 3.17Å; H164-T172 VanDerWaalsContact C-OG1 3.28Å; H164-T172 WeakPolarHBondContact CA-OG1 3.44Å; C165-T172 PolarHBondContact N-OG1 3.42Å; C165-T172 PolarHBondContact SG-OG1 3.32Å; C165-T172 VanDerWaalsContact SG-OG1 3.36Å; G170-T172 VanDerWaalsContact C-N 3.25Å; G170-T172 PolarHBondContact O-N 2.85Å; T172-I176 HydrophobicContact CG2-CD1 4.05Å; T172-I176 WeakPolarHBondContact O-CG1 3.05Å; T172-I176 PolarHBondContact O-N 3.09Å; T172-I176 VanDerWaalsContact O-N 3.15Å; T172-M207 HydrophobicContact CG2-CE 4.29Å
173G96Very high95.7Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-64.7-42.5177.200000112.1V169 G170 R171 I176 A177V169-G173 WeakPolarHBondContact O-CA 3.48Å; V169-G173 PolarHBondContact O-N 3.38Å; G170-G173 PolarHBondContact O-N 2.96Å; R171-G173 PolarHBondContact O-N 2.86Å; G173-I176 PolarHBondContact O-N 3.03Å; G173-A177 WeakPolarHBondContact O-CB 3.39Å; G173-A177 PolarHBondContact O-N 3.07Å
174T94.5Very high95.5Very high3 Ų312.8 Ų12.82%0.0188%0.077CC..Hα-helixtrans-60.3-47.2177.4-58.30000111.6W129 L141 G170 R171 I176 A177 I178 I217 A220W129-T174 HydrophobicContact CH2-CG2 3.86Å; W129-T174 HydrophobicContact CZ2-CG2 4.44Å; L141-T174 HydrophobicContact CD2-CG2 4.3Å; G170-T174 PolarHBondContact O-N 2.85Å; G170-T174 PolarHBondContact O-OG1 2.61Å; R171-T174 PolarHBondContact O-N 2.69Å; T174-I176 PolarHBondContact O-N 3.37Å; T174-A177 PolarHBondContact O-N 2.61Å; T174-I178 HydrophobicContact CG2-CD1 3.78Å; T174-I178 HydrophobicContact CG2-CG1 4.39Å; T174-I178 WeakPolarHBondContact O-CB 3.32Å; T174-I178 VanDerWaalsContact O-CG1 3.28Å; T174-I178 WeakPolarHBondContact O-CG1 3.33Å; T174-I178 PolarHBondContact O-N 3.28Å; T174-I217 HydrophobicContact CG2-CG2 4.19Å; T174-I217 WeakPolarHBondContact OG1-CG2 3.36Å; T174-A220 HydrophobicContact CG2-CB 4.12Å
175F95.9Very high95.3Very high3 Ų316.8 Ų16.81%0.01310%0.097CC..Hα-helixtrans-59.7-47.4178.1179.6-92.5000112.4V63 L65 L141 F144 R145 V148 V163 R171 A177 I178 D179V63-F175 HydrophobicContact CG1-CE1 4.27Å; V63-F175 HydrophobicContact CG1-CE2 4.41Å; V63-F175 HydrophobicContact CG1-CZ 4.2Å; V63-F175 HydrophobicContact CG2-CE1 4.4Å; V63-F175 HydrophobicContact CG2-CZ 4.45Å; L65-F175 HydrophobicContact CD1-CB 3.58Å; L65-F175 HydrophobicContact CD1-CG 4.12Å; L65-F175 HydrophobicContact CD2-CD2 4.24Å; L65-F175 HydrophobicContact CD2-CG 4.5Å; L141-F175 HydrophobicContact CD1-CD2 4.08Å; F144-F175 HydrophobicContact CD1-CD2 4.33Å; F144-F175 AromaticContact CD1-CE2 3.76Å; F144-F175 HydrophobicContact CD1-CE2 3.76Å; F144-F175 HydrophobicContact CE1-CD2 4.46Å; F144-F175 AromaticContact CE1-CE2 3.91Å; F144-F175 HydrophobicContact CE1-CE2 3.91Å; R145-F175 HydrophobicContact CB-CE2 3.99Å; R145-F175 HydrophobicContact CB-CZ 4.45Å; R145-F175 HydrophobicContact CG-CE2 4.39Å; R145-F175 HydrophobicContact CG-CZ 4.46Å; V148-F175 HydrophobicContact CB-CZ 4.16Å; V148-F175 HydrophobicContact CG1-CZ 4.08Å; V148-F175 HydrophobicContact CG2-CZ 4.21Å; V163-F175 HydrophobicContact CG1-CB 4.46Å; V163-F175 HydrophobicContact CG1-CD1 3.83Å; V163-F175 HydrophobicContact CG1-CG 4.38Å; V163-F175 HydrophobicContact CG2-CD1 4.11Å; V163-F175 HydrophobicContact CG2-CE1 4.19Å; R171-F175 PolarHBondContact O-N 2.77Å; F175-A177 VanDerWaalsContact C-N 3.35Å; F175-A177 PolarHBondContact O-N 2.96Å; F175-I178 PolarHBondContact O-N 2.79Å; F175-D179 WeakPolarHBondContact O-CB 3.32Å; F175-D179 PolarHBondContact O-N 3.06Å
176I97.7Very high95.2Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-66.3-38.2179-64.4170.3000111M27 F36 A38 V163 T172 G173 T174 D179 R180 L200 M207M27-I176 HydrophobicContact CB-CD1 4.35Å; M27-I176 HydrophobicContact CG-CD1 4.18Å; F36-I176 HydrophobicContact CB-CD1 4.1Å; F36-I176 HydrophobicContact CD1-CG1 4.5Å; F36-I176 HydrophobicContact CD2-CG1 4.31Å; F36-I176 HydrophobicContact CD2-CG2 3.91Å; F36-I176 HydrophobicContact CE2-CG2 4.06Å; F36-I176 HydrophobicContact CG-CD1 4.32Å; F36-I176 HydrophobicContact CG-CG1 4.22Å; A38-I176 HydrophobicContact CB-CD1 4.27Å; V163-I176 HydrophobicContact CB-CD1 4.34Å; V163-I176 HydrophobicContact CB-CG1 4.49Å; V163-I176 HydrophobicContact CG2-CD1 4.44Å; V163-I176 HydrophobicContact CG2-CG1 4.28Å; T172-I176 HydrophobicContact CG2-CD1 4.05Å; T172-I176 WeakPolarHBondContact O-CG1 3.05Å; T172-I176 PolarHBondContact O-N 3.09Å; T172-I176 VanDerWaalsContact O-N 3.15Å; G173-I176 PolarHBondContact O-N 3.03Å; T174-I176 PolarHBondContact O-N 3.37Å; I176-D179 PolarHBondContact O-N 3.2Å; I176-R180 WeakPolarHBondContact O-CG 3.46Å; I176-R180 PolarHBondContact O-N 2.98Å; I176-L200 HydrophobicContact CG2-CD1 4.33Å; I176-L200 HydrophobicContact CG2-CD2 3.7Å; I176-M207 HydrophobicContact CD1-CE 4Å
177A96.2Very high95.2Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-66.5-45.817800000112G173 T174 F175 D179 R180 L181 I196 L200 V208 L221G173-A177 WeakPolarHBondContact O-CB 3.39Å; G173-A177 PolarHBondContact O-N 3.07Å; T174-A177 PolarHBondContact O-N 2.61Å; F175-A177 VanDerWaalsContact C-N 3.35Å; F175-A177 PolarHBondContact O-N 2.96Å; A177-D179 VanDerWaalsContact C-N 3.31Å; A177-D179 PolarHBondContact O-N 3.28Å; A177-R180 PolarHBondContact O-N 3.32Å; A177-L181 WeakPolarHBondContact O-CB 3.07Å; A177-L181 VanDerWaalsContact O-CG 3.3Å; A177-L181 WeakPolarHBondContact O-CG 3.16Å; A177-L181 PolarHBondContact O-N 3.3Å; A177-I196 HydrophobicContact CB-CG2 3.94Å; A177-L200 HydrophobicContact CB-CD1 3.84Å; A177-V208 HydrophobicContact CB-CG2 4.19Å; A177-L221 HydrophobicContact CB-CD2 3.51Å
178I94.7Very high95.2Very high10 Ų1028.9 Ų28.95%0.05113%0.133CC..Hα-helixtrans-58.1-45.1174.7-70.5168.9000110.6L141 T174 F175 R180 L181 I182 A220 L221L141-I178 HydrophobicContact CD2-CD1 3.27Å; L141-I178 HydrophobicContact CG-CD1 3.87Å; T174-I178 HydrophobicContact CG2-CD1 3.78Å; T174-I178 HydrophobicContact CG2-CG1 4.39Å; T174-I178 WeakPolarHBondContact O-CB 3.32Å; T174-I178 VanDerWaalsContact O-CG1 3.28Å; T174-I178 WeakPolarHBondContact O-CG1 3.33Å; T174-I178 PolarHBondContact O-N 3.28Å; F175-I178 PolarHBondContact O-N 2.79Å; I178-R180 VanDerWaalsContact C-N 3.28Å; I178-R180 PolarHBondContact O-N 3Å; I178-L181 PolarHBondContact O-N 3.36Å; I178-I182 HydrophobicContact CG2-CD1 3.7Å; I178-I182 HydrophobicContact CG2-CG1 4.29Å; I178-I182 WeakPolarHBondContact O-CG1 3.13Å; I178-I182 PolarHBondContact O-N 3.43Å; I178-A220 WeakPolarHBondContact CD1-O 3.32Å; I178-A220 WeakPolarHBondContact CG1-O 3.22Å; I178-L221 HydrophobicContact CG1-CD2 3.85Å
179D96.5Very high95.1Very high2 Ų235.9 Ų35.91%0.01117%0.171CC..Hα-helixtrans-57.4-42.3178.9176.185.9000112.6F36 R145 R149 F175 I176 A177 F183F36-D179 HydrophobicContact CZ-CB 4.41Å; F36-D179 WeakPolarHBondContact CZ-OD2 3.49Å; R145-D179 HydrophobicContact CG-CB 4.23Å; R145-D179 IonicContact CZ-OD1 3.89Å; R145-D179 IonicContact NE-OD1 3.09Å; R145-D179 PolarHBondContact NE-OD1 3.21Å; R145-D179 PolarHBondContact NH2-O 2.95Å; R145-D179 IonicContact NH2-OD1 2.77Å; R145-D179 PolarHBondContact NH2-OD1 3.49Å; R149-D179 IonicContact CZ-OD1 3.75Å; R149-D179 IonicContact CZ-OD2 2.87Å; R149-D179 IonicContact NE-OD1 2.81Å; R149-D179 PolarHBondContact NE-OD1 2.83Å; R149-D179 VanDerWaalsContact NE-OD1 3.14Å; R149-D179 IonicContact NH2-OD1 3.67Å; R149-D179 PolarHBondContact NH2-OD1 3.18Å; R149-D179 IonicContact NH2-OD2 3.52Å; R149-D179 PolarHBondContact NH2-OD2 3.04Å; F175-D179 WeakPolarHBondContact O-CB 3.32Å; F175-D179 PolarHBondContact O-N 3.06Å; I176-D179 PolarHBondContact O-N 3.2Å; A177-D179 VanDerWaalsContact C-N 3.31Å; A177-D179 PolarHBondContact O-N 3.28Å; D179-F183 VanDerWaalsContact O-CD2 3.27Å; D179-F183 WeakPolarHBondContact O-CD2 3.49Å; D179-F183 PolarHBondContact O-N 2.91Å
180R96.1Very high95Very high34 Ų3439.1 Ų39.113%0.12819%0.187CC..Hα-helixtrans-71.2-40.5176.3-71.4179.866177.22.9112.8I176 A177 I178 F183 Q184 I196 D199I176-R180 WeakPolarHBondContact O-CG 3.46Å; I176-R180 PolarHBondContact O-N 2.98Å; A177-R180 PolarHBondContact O-N 3.32Å; I178-R180 VanDerWaalsContact C-N 3.28Å; I178-R180 PolarHBondContact O-N 3Å; R180-F183 PolarHBondContact O-N 3.31Å; R180-Q184 PolarHBondContact O-N 2.98Å; R180-I196 HydrophobicContact CB-CD1 3.85Å; R180-I196 HydrophobicContact CB-CG1 4.43Å; R180-I196 HydrophobicContact CB-CG2 4.32Å; R180-D199 IonicContact CZ-OD2 3.06Å; R180-D199 VanDerWaalsContact CZ-OD2 3.23Å; R180-D199 IonicContact NH1-OD2 2.89Å; R180-D199 PolarHBondContact NH1-OD2 3.4Å; R180-D199 IonicContact NH2-OD2 3.57Å; R180-D199 PolarHBondContact NH2-OD2 3.1Å
181L95.1Very high95Very high7 Ų742.9 Ų42.94%0.03721%0.207CC..Hα-helixtrans-61.6-44.1178-77.3165000111.2A177 I178 F183 Q184 I185 V191 V193 I196 L221A177-L181 WeakPolarHBondContact O-CB 3.07Å; A177-L181 VanDerWaalsContact O-CG 3.3Å; A177-L181 WeakPolarHBondContact O-CG 3.16Å; A177-L181 PolarHBondContact O-N 3.3Å; I178-L181 PolarHBondContact O-N 3.36Å; L181-F183 VanDerWaalsContact C-N 3.3Å; L181-F183 PolarHBondContact O-N 2.98Å; L181-Q184 PolarHBondContact O-N 2.89Å; L181-Q184 VanDerWaalsContact O-N 3.16Å; L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.39Å; L181-I185 PolarHBondContact O-N 3.45Å; L181-V191 HydrophobicContact CD2-CG1 4.07Å; L181-V193 HydrophobicContact CD1-CG2 4.12Å; L181-V193 HydrophobicContact CD2-CG2 3.89Å; L181-I196 HydrophobicContact CB-CD1 4.46Å; L181-I196 HydrophobicContact CD2-CD1 3.6Å; L181-I196 HydrophobicContact CG-CD1 3.69Å; L181-L221 HydrophobicContact CD1-CB 4.12Å; L181-L221 HydrophobicContact CD1-CD2 3.65Å; L181-L221 HydrophobicContact CD1-CG 4.49Å
182I95.1Very high95Very high21 Ų2145 Ų4511%0.10822%0.221CC..Hα-helixtrans-57.8-44.3175.8-70.9169.7000110.5I142 I178 I185 E186I142-I182 HydrophobicContact CG1-CD1 4.34Å; I142-I182 HydrophobicContact CG2-CD1 4.24Å; I178-I182 HydrophobicContact CG2-CD1 3.7Å; I178-I182 HydrophobicContact CG2-CG1 4.29Å; I178-I182 WeakPolarHBondContact O-CG1 3.13Å; I178-I182 PolarHBondContact O-N 3.43Å; I182-I185 PolarHBondContact O-N 3.24Å; I182-E186 HydrophobicContact CG2-CG 4.24Å; I182-E186 WeakPolarHBondContact CG2-OE1 3.43Å; I182-E186 WeakPolarHBondContact O-CB 3.47Å; I182-E186 VanDerWaalsContact O-CG 3.25Å; I182-E186 WeakPolarHBondContact O-CG 3.12Å; I182-E186 PolarHBondContact O-N 3.36Å
183F95.3Very high94.8Very high11 Ų1146.4 Ų46.45%0.04823%0.229CC..Hα-helixtrans-65.7-39.8176-81.7-62.7000113.6Y30 L31 R145 D179 R180 L181 I185 E186 R187Y30-F183 VanDerWaalsContact CB-CD2 3.44Å; Y30-F183 HydrophobicContact CD1-CB 3.81Å; Y30-F183 HydrophobicContact CD1-CD1 4.05Å; Y30-F183 HydrophobicContact CD1-CD2 4.33Å; Y30-F183 AromaticContact CD1-CG 3.84Å; Y30-F183 HydrophobicContact CD1-CG 3.84Å; Y30-F183 HydrophobicContact CD2-CB 3.38Å; Y30-F183 HydrophobicContact CD2-CG 4.22Å; Y30-F183 HydrophobicContact CE1-CB 4.3Å; Y30-F183 HydrophobicContact CE2-CB 3.89Å; Y30-F183 HydrophobicContact CG-CB 3.33Å; Y30-F183 HydrophobicContact CG-CD1 4.33Å; Y30-F183 AromaticContact CG-CD2 3.93Å; Y30-F183 HydrophobicContact CG-CD2 3.93Å; Y30-F183 AromaticContact CG-CG 3.64Å; Y30-F183 HydrophobicContact CG-CG 3.64Å; L31-F183 HydrophobicContact CD1-CZ 4.3Å; L31-F183 HydrophobicContact CG-CZ 4.5Å; R145-F183 VanDerWaalsContact NH2-CD2 3.3Å; D179-F183 VanDerWaalsContact O-CD2 3.27Å; D179-F183 WeakPolarHBondContact O-CD2 3.49Å; D179-F183 PolarHBondContact O-N 2.91Å; R180-F183 PolarHBondContact O-N 3.31Å; L181-F183 VanDerWaalsContact C-N 3.3Å; L181-F183 PolarHBondContact O-N 2.98Å; F183-I185 VanDerWaalsContact C-N 3.33Å; F183-E186 PolarHBondContact O-N 3.33Å; F183-R187 VanDerWaalsContact O-CB 3.3Å; F183-R187 WeakPolarHBondContact O-CB 3.49Å; F183-R187 PolarHBondContact O-N 2.9Å
184Q94.3Very high94.6Very high25 Ų2554.9 Ų54.912%0.11726%0.262CS..Hα-helixtrans-60.3-44.4174.2-84-169.4-21.500111.3R180 L181 E188 N189 I190 I196R180-Q184 PolarHBondContact O-N 2.98Å; L181-Q184 PolarHBondContact O-N 2.89Å; L181-Q184 VanDerWaalsContact O-N 3.16Å; Q184-E188 CarbonylContact O-C 3.57Å; Q184-E188 WeakPolarHBondContact O-CA 3.08Å; Q184-E188 WeakPolarHBondContact O-CB 3.39Å; Q184-E188 PolarHBondContact O-N 2.93Å; Q184-N189 PolarHBondContact O-N 3.48Å; Q184-I190 CarbonylContact C-O 3.58Å; Q184-I190 HydrophobicContact CB-CG1 4.2Å; Q184-I190 HydrophobicContact CG-CG1 4.38Å; Q184-I196 HydrophobicContact CG-CD1 4.4Å
185I94.4Very high94.6Very high84 Ų8455.7 Ų55.743%0.43127%0.271SS..Hα-helixtrans-62-51.6177.5-68163.7000110.1L181 I182 F183 R187 N189 I190 V191L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.39Å; L181-I185 PolarHBondContact O-N 3.45Å; I182-I185 PolarHBondContact O-N 3.24Å; F183-I185 VanDerWaalsContact C-N 3.33Å; I185-R187 PolarHBondContact O-N 3.2Å; I185-N189 WeakPolarHBondContact O-CA 3.35Å; I185-N189 PolarHBondContact O-N 3.35Å; I185-I190 PolarHBondContact N-O 3.42Å; I185-V191 HydrophobicContact CD1-CG2 3.93Å; I185-V191 HydrophobicContact CG1-CG2 3.53Å
186E94.3Very high94.6Very high117 Ų11755.7 Ų55.755%0.54727%0.271SS..Hα-helixtrans-67.3-32.1-174.4-73.2175.3171.900113.7I182 F183I182-E186 HydrophobicContact CG2-CG 4.24Å; I182-E186 WeakPolarHBondContact CG2-OE1 3.43Å; I182-E186 WeakPolarHBondContact O-CB 3.47Å; I182-E186 VanDerWaalsContact O-CG 3.25Å; I182-E186 WeakPolarHBondContact O-CG 3.12Å; I182-E186 PolarHBondContact O-N 3.36Å; F183-E186 PolarHBondContact O-N 3.33Å
187R94.8Very high94.4Very high146 Ų14656.5 Ų56.555%0.55128%0.276SS*.Hα-helixtrans-110.4-30-170.4-63.6-178.6174-1514.3114.6Y30 F183 I185Y30-R187 WeakPolarHBondContact OH-CD 3.39Å; F183-R187 VanDerWaalsContact O-CB 3.3Å; F183-R187 WeakPolarHBondContact O-CB 3.49Å; F183-R187 PolarHBondContact O-N 2.9Å; I185-R187 PolarHBondContact O-N 3.2Å
188E94.4Very high94.4Very high88 Ų8861.1 Ų61.141%0.41130%0.298SS..Hα-helixtrans-116.6-13.9-173.5-65.6165.2-145.500111.8Y30 Q184 I190Y30-E188 WeakPolarHBondContact CE2-OE1 3.2Å; Y30-E188 PolarHBondContact OH-OE1 2.99Å; Q184-E188 CarbonylContact O-C 3.57Å; Q184-E188 WeakPolarHBondContact O-CA 3.08Å; Q184-E188 WeakPolarHBondContact O-CB 3.39Å; Q184-E188 PolarHBondContact O-N 2.93Å; E188-I190 HydrophobicContact CB-CD1 4.22Å; E188-I190 HydrophobicContact CB-CG1 3.82Å; E188-I190 PolarHBondContact O-N 3.01Å; E188-I190 WeakPolarHBondContact OE2-CD1 3.44Å
189N93.8Very high94.4Very high148 Ų14863 Ų6379%0.79131%0.308SS*.SBendtrans55.136-175.1-163.537.3000112.2Q184 I185Q184-N189 PolarHBondContact O-N 3.48Å; I185-N189 WeakPolarHBondContact O-CA 3.35Å; I185-N189 PolarHBondContact O-N 3.35Å
190I93.2Very high94.4Very high80 Ų8062.9 Ų62.941%0.4131%0.307SS..  trans-125.9160.8175.770.4175000110.6Q184 I185 E188Q184-I190 CarbonylContact C-O 3.58Å; Q184-I190 HydrophobicContact CB-CG1 4.2Å; Q184-I190 HydrophobicContact CG-CG1 4.38Å; I185-I190 PolarHBondContact N-O 3.42Å; E188-I190 HydrophobicContact CB-CD1 4.22Å; E188-I190 HydrophobicContact CB-CG1 3.82Å; E188-I190 PolarHBondContact O-N 3.01Å; E188-I190 WeakPolarHBondContact OE2-CD1 3.44Å
191V92.5Very high94.3Very high93 Ų9367 Ų6756%0.56432%0.322SS*.  trans-135.1112.1173.9176.40000108.2L181 I185 V193L181-V191 HydrophobicContact CD2-CG1 4.07Å; I185-V191 HydrophobicContact CD1-CG2 3.93Å; I185-V191 HydrophobicContact CG1-CG2 3.53Å; V191-V193 HydrophobicContact CG1-CG2 3.91Å
192D92.7Very high94.3Very high74 Ų7472 Ų7240%0.39635%0.347SS..  trans-125.576.4174.5-175.412.6000111.5Y194 G195 I196D192-Y194 VanDerWaalsContact C-N 3.3Å; D192-Y194 PolarHBondContact O-N 3.04Å; D192-Y194 PolarHBondContact OD1-N 3.41Å; D192-G195 PolarHBondContact O-N 2.98Å; D192-G195 PolarHBondContact OD1-N 2.92Å; D192-G195 WeakPolarHBondContact OD2-CA 3.47Å; D192-I196 WeakPolarHBondContact O-CB 3.45Å; D192-I196 WeakPolarHBondContact O-CG1 3.45Å; D192-I196 PolarHBondContact O-N 3.34Å
193V92.5Very high94.3Very high29 Ų2973.5 Ų73.518%0.17635%0.354CS..Hα-helixtrans-58.9-43.7178-177.60000111L181 V191 V197 L221L181-V193 HydrophobicContact CD1-CG2 4.12Å; L181-V193 HydrophobicContact CD2-CG2 3.89Å; V191-V193 HydrophobicContact CG1-CG2 3.91Å; V193-V197 HydrophobicContact CG1-CG2 4.33Å; V193-V197 WeakPolarHBondContact O-CB 3.5Å; V193-V197 VanDerWaalsContact O-CG2 3.26Å; V193-V197 WeakPolarHBondContact O-CG2 3.47Å; V193-V197 PolarHBondContact O-N 2.73Å; V193-L221 HydrophobicContact CG1-CB 3.96Å; V193-L221 HydrophobicContact CG1-CD1 3.87Å; V193-L221 HydrophobicContact CG1-CG 4.47Å
194Y92.6Very high94.3Very high178 Ų17873.6 Ų73.670%0.69835%0.354SS*.Hα-helixtrans-64.8-48.9-177.7177.5-92.2000111.3D192 I196 V197 H198D192-Y194 VanDerWaalsContact C-N 3.3Å; D192-Y194 PolarHBondContact O-N 3.04Å; D192-Y194 PolarHBondContact OD1-N 3.41Å; Y194-I196 PolarHBondContact O-N 3.48Å; Y194-V197 PolarHBondContact O-N 2.95Å; Y194-H198 HydrophobicContact CE1-CB 4.45Å; Y194-H198 WeakPolarHBondContact O-CB 3.26Å; Y194-H198 PolarHBondContact O-N 3.11Å
195G94.9Very high94.3Very high20 Ų2075.1 Ų75.121%0.20637%0.365CS..Hα-helixtrans-61.4-42.7178.900000112.4D192 H198 D199D192-G195 PolarHBondContact O-N 2.98Å; D192-G195 PolarHBondContact OD1-N 2.92Å; D192-G195 WeakPolarHBondContact OD2-CA 3.47Å; G195-H198 PolarHBondContact O-N 3.34Å; G195-D199 WeakPolarHBondContact O-CB 3.35Å; G195-D199 PolarHBondContact O-N 3.29Å
196I95.1Very high94.2Very high2 Ų275.9 Ų75.91%0.0137%0.37CS..Hα-helixtrans-62-50.4175.3-75171.6000111A177 R180 L181 Q184 D192 Y194 H198 D199 L200A177-I196 HydrophobicContact CB-CG2 3.94Å; R180-I196 HydrophobicContact CB-CD1 3.85Å; R180-I196 HydrophobicContact CB-CG1 4.43Å; R180-I196 HydrophobicContact CB-CG2 4.32Å; L181-I196 HydrophobicContact CB-CD1 4.46Å; L181-I196 HydrophobicContact CD2-CD1 3.6Å; L181-I196 HydrophobicContact CG-CD1 3.69Å; Q184-I196 HydrophobicContact CG-CD1 4.4Å; D192-I196 WeakPolarHBondContact O-CB 3.45Å; D192-I196 WeakPolarHBondContact O-CG1 3.45Å; D192-I196 PolarHBondContact O-N 3.34Å; Y194-I196 PolarHBondContact O-N 3.48Å; I196-H198 VanDerWaalsContact C-N 3.31Å; I196-H198 PolarHBondContact O-N 2.99Å; I196-D199 PolarHBondContact O-N 3.46Å; I196-L200 HydrophobicContact CG2-CD1 4.11Å; I196-L200 HydrophobicContact CG2-CG 4.4Å; I196-L200 VanDerWaalsContact O-CG 3.29Å; I196-L200 WeakPolarHBondContact O-CG 3.29Å; I196-L200 PolarHBondContact O-N 2.93Å
197V94.9Very high94.2Very high18 Ų1870.3 Ų70.311%0.10934%0.344CS..Hα-helixtrans-63.6-40-179.3174.20000111.1V193 Y194 L200 R201 V208 L221V193-V197 HydrophobicContact CG1-CG2 4.33Å; V193-V197 WeakPolarHBondContact O-CB 3.5Å; V193-V197 VanDerWaalsContact O-CG2 3.26Å; V193-V197 WeakPolarHBondContact O-CG2 3.47Å; V193-V197 PolarHBondContact O-N 2.73Å; Y194-V197 PolarHBondContact O-N 2.95Å; V197-L200 PolarHBondContact O-N 2.91Å; V197-R201 WeakPolarHBondContact O-CB 3.47Å; V197-R201 VanDerWaalsContact O-CG 3.31Å; V197-R201 WeakPolarHBondContact O-CG 3.31Å; V197-R201 PolarHBondContact O-N 3.22Å; V197-V208 HydrophobicContact CG1-CB 4.15Å; V197-V208 HydrophobicContact CG1-CG2 4.33Å; V197-V208 HydrophobicContact CG2-CB 4.25Å; V197-V208 HydrophobicContact CG2-CG1 4.42Å; V197-V208 HydrophobicContact CG2-CG2 3.89Å; V197-L221 HydrophobicContact CG2-CD1 4.2Å
198H94.4Very high93.9Very high97 Ų9763.9 Ų63.945%0.44932%0.321SS..Hα-helixtrans-59.6-50.1175.4-18073.2000111.2Y194 G195 I196 L200 R201 M202Y194-H198 HydrophobicContact CE1-CB 4.45Å; Y194-H198 WeakPolarHBondContact O-CB 3.26Å; Y194-H198 PolarHBondContact O-N 3.11Å; G195-H198 PolarHBondContact O-N 3.34Å; I196-H198 VanDerWaalsContact C-N 3.31Å; I196-H198 PolarHBondContact O-N 2.99Å; H198-L200 PolarHBondContact O-N 3.46Å; H198-R201 WeakPolarHBondContact O-CB 3.33Å; H198-R201 PolarHBondContact O-N 2.98Å; H198-R201 VanDerWaalsContact O-N 3.1Å; H198-M202 WeakPolarHBondContact O-CG 3.1Å; H198-M202 PolarHBondContact O-N 3.35Å; H198-M202 VanDerWaalsContact O-N 3.11Å
199D95.3Very high93.2Very high49 Ų4963.2 Ų63.226%0.26232%0.318SS..Hα-helixtrans-62-41.2178.3179.750.1000112.6R180 G195 I196 R201 M202 H203R180-D199 IonicContact CZ-OD2 3.06Å; R180-D199 VanDerWaalsContact CZ-OD2 3.23Å; R180-D199 IonicContact NH1-OD2 2.89Å; R180-D199 PolarHBondContact NH1-OD2 3.4Å; R180-D199 IonicContact NH2-OD2 3.57Å; R180-D199 PolarHBondContact NH2-OD2 3.1Å; G195-D199 WeakPolarHBondContact O-CB 3.35Å; G195-D199 PolarHBondContact O-N 3.29Å; I196-D199 PolarHBondContact O-N 3.46Å; D199-R201 VanDerWaalsContact C-N 3.3Å; D199-R201 PolarHBondContact O-N 3.05Å; D199-M202 WeakPolarHBondContact O-CB 3.34Å; D199-M202 PolarHBondContact O-N 3.09Å; D199-H203 PolarHBondContact O-ND1 2.75Å; D199-H203 IonicContact OD1-CE1 3.21Å; D199-H203 IonicContact OD1-ND1 3.82Å
200L95.8Very high91.9Very high0 Ų058.9 Ų58.90%030%0.297CS..Hα-helixtrans-60.8-40.9173.1-65.6177.4000111.3M27 I176 A177 I196 V197 H198 M202 H203 R204 M207M27-L200 HydrophobicContact CE-CB 3.85Å; M27-L200 HydrophobicContact CE-CD2 3.52Å; M27-L200 HydrophobicContact CE-CG 4.27Å; M27-L200 WeakPolarHBondContact CE-O 3.46Å; I176-L200 HydrophobicContact CG2-CD1 4.33Å; I176-L200 HydrophobicContact CG2-CD2 3.7Å; A177-L200 HydrophobicContact CB-CD1 3.84Å; I196-L200 HydrophobicContact CG2-CD1 4.11Å; I196-L200 HydrophobicContact CG2-CG 4.4Å; I196-L200 VanDerWaalsContact O-CG 3.29Å; I196-L200 WeakPolarHBondContact O-CG 3.29Å; I196-L200 PolarHBondContact O-N 2.93Å; V197-L200 PolarHBondContact O-N 2.91Å; H198-L200 PolarHBondContact O-N 3.46Å; L200-M202 PolarHBondContact O-N 3.19Å; L200-H203 PolarHBondContact O-N 3.3Å; L200-R204 PolarHBondContact O-N 2.87Å; L200-M207 HydrophobicContact CB-CB 3.83Å; L200-M207 HydrophobicContact CB-CG 4.23Å
201R95.4Very high90.1Very high119 Ų11959.7 Ų59.745%0.44930%0.299SS..Hα-helixtrans-67.9-22.6179.2-75177.6-179.8-179.33.3113.9V197 H198 D199 H203 R204 M207 V208V197-R201 WeakPolarHBondContact O-CB 3.47Å; V197-R201 VanDerWaalsContact O-CG 3.31Å; V197-R201 WeakPolarHBondContact O-CG 3.31Å; V197-R201 PolarHBondContact O-N 3.22Å; H198-R201 WeakPolarHBondContact O-CB 3.33Å; H198-R201 PolarHBondContact O-N 2.98Å; H198-R201 VanDerWaalsContact O-N 3.1Å; D199-R201 VanDerWaalsContact C-N 3.3Å; D199-R201 PolarHBondContact O-N 3.05Å; R201-H203 VanDerWaalsContact C-N 3.28Å; R201-R204 WeakPolarHBondContact CA-O 3.43Å; R201-M207 HydrophobicContact CG-CB 4.16Å; R201-M207 PolarHBondContact NE-O 3.15Å; R201-M207 PolarHBondContact NH2-O 3.16Å; R201-V208 PolarHBondContact NH2-O 3.15Å; R201-V208 VanDerWaalsContact NH2-O 3.15Å
202M95.1Very high87.7Confident113 Ų11362.1 Ų62.156%0.55731%0.313SS*.Hα-helixtrans-68.5-28170.9-64.4-54.5-62.600112.4H198 D199 L200H198-M202 WeakPolarHBondContact O-CG 3.1Å; H198-M202 PolarHBondContact O-N 3.35Å; H198-M202 VanDerWaalsContact O-N 3.11Å; D199-M202 WeakPolarHBondContact O-CB 3.34Å; D199-M202 PolarHBondContact O-N 3.09Å; L200-M202 PolarHBondContact O-N 3.19Å
203H95.8Very high85.3Confident53 Ų5362.1 Ų62.125%0.24533%0.331CS..Hα-helixtrans-95-36.5-178.5-65.680.5000112.9S6 M27 D199 L200 R201S6-H203 WeakPolarHBondContact CB-O 3.39Å; S6-H203 PolarHBondContact OG-O 2.76Å; M27-H203 HydrophobicContact CE-CB 3.79Å; M27-H203 HydrophobicContact SD-CB 3.72Å; D199-H203 PolarHBondContact O-ND1 2.75Å; D199-H203 IonicContact OD1-CE1 3.21Å; D199-H203 IonicContact OD1-ND1 3.82Å; L200-H203 PolarHBondContact O-N 3.3Å; R201-H203 VanDerWaalsContact C-N 3.28Å
204R95.3Very high83.2Confident13 Ų1365.3 Ų65.35%0.04934%0.34CS..SBendtrans-142.2122.5173.8-174.6169.8175.183.9-1.8108.7N23 N25 M27 A167 G168 V169 L200 R201 M207N23-R204 PolarHBondContact OD1-NH1 2.86Å; N23-R204 PolarHBondContact OD1-NH2 3.46Å; N25-R204 HydrophobicContact CB-CB 4.07Å; N25-R204 HydrophobicContact CB-CG 4.39Å; N25-R204 PolarHBondContact OD1-NH1 3.47Å; M27-R204 HydrophobicContact CE-CB 4.34Å; M27-R204 HydrophobicContact SD-CB 3.68Å; A167-R204 PolarHBondContact O-NH2 3.46Å; G168-R204 PolarHBondContact O-NE 2.87Å; V169-R204 HydrophobicContact CG1-CG 4.21Å; L200-R204 PolarHBondContact O-N 2.87Å; R201-R204 WeakPolarHBondContact CA-O 3.43Å; R204-M207 HydrophobicContact CB-CG 3.83Å; R204-M207 HydrophobicContact CB-SD 4.13Å; R204-M207 HydrophobicContact CG-CG 4.32Å; R204-M207 HydrophobicContact CG-SD 4.19Å; R204-M207 WeakPolarHBondContact O-CG 3.33Å
205P93Very high80.9Confident56 Ų5661.3 Ų61.336%0.36434%0.336SS..THydrogen-bonded Turntrans-60.2152.4-179.9-29.238.9000112.6L2 V169 M207L2-P205 HydrophobicContact CD2-CB 4.41Å; L2-P205 VanDerWaalsContact CD2-CD 3.42Å; L2-P205 HydrophobicContact CD2-CG 3.45Å; L2-P205 VanDerWaalsContact CD2-CG 3.45Å; L2-P205 HydrophobicContact CG-CG 4.41Å; V169-P205 WeakPolarHBondContact CG1-O 3.29Å; P205-M207 PolarHBondContact O-N 2.67Å
206L92.1Very high78.7Confident101 Ų10165.9 Ų65.953%0.52935%0.352SS..THydrogen-bonded Turntrans65.112.7176.7-49.3175000115.2V169 V208 Q209V169-L206 HydrophobicContact CB-CB 4.38Å; V169-L206 HydrophobicContact CG2-CB 4.35Å; L206-V208 PolarHBondContact O-N 3.17Å; L206-Q209 VanDerWaalsContact O-CB 3.29Å; L206-Q209 WeakPolarHBondContact O-CB 3.27Å; L206-Q209 PolarHBondContact O-N 3.39Å
207M94.5Very high76.5Confident0 Ų066.7 Ų66.70%036%0.356CS..  trans-53.8135.8172.7-69.7-65-83.300110.8M27 A38 V169 T172 I176 L200 R201 R204 P205M27-M207 HydrophobicContact CE-CE 3.72Å; M27-M207 HydrophobicContact CE-CG 4.06Å; M27-M207 HydrophobicContact CE-SD 4.49Å; M27-M207 HydrophobicContact CG-CE 4.46Å; M27-M207 HydrophobicContact SD-CE 4.31Å; A38-M207 HydrophobicContact CB-CE 4.01Å; A38-M207 HydrophobicContact CB-SD 4.43Å; V169-M207 HydrophobicContact CB-SD 4.29Å; V169-M207 HydrophobicContact CG1-SD 4.33Å; V169-M207 WeakPolarHBondContact O-CA 3.49Å; T172-M207 HydrophobicContact CG2-CE 4.29Å; I176-M207 HydrophobicContact CD1-CE 4Å; L200-M207 HydrophobicContact CB-CB 3.83Å; L200-M207 HydrophobicContact CB-CG 4.23Å; R201-M207 HydrophobicContact CG-CB 4.16Å; R201-M207 PolarHBondContact NE-O 3.15Å; R201-M207 PolarHBondContact NH2-O 3.16Å; R204-M207 HydrophobicContact CB-CG 3.83Å; R204-M207 HydrophobicContact CB-SD 4.13Å; R204-M207 HydrophobicContact CG-CG 4.32Å; R204-M207 HydrophobicContact CG-SD 4.19Å; R204-M207 WeakPolarHBondContact O-CG 3.33Å; P205-M207 PolarHBondContact O-N 2.67Å
208V89.4Confident74.3Confident11 Ų1174.5 Ų74.57%0.06738%0.384CS..SBendtrans62.162.3-170.3-167.40000110.5V169 A177 V197 R201 L206 I217 L221V169-V208 PolarHBondContact O-N 3.36Å; A177-V208 HydrophobicContact CB-CG2 4.19Å; V197-V208 HydrophobicContact CG1-CB 4.15Å; V197-V208 HydrophobicContact CG1-CG2 4.33Å; V197-V208 HydrophobicContact CG2-CB 4.25Å; V197-V208 HydrophobicContact CG2-CG1 4.42Å; V197-V208 HydrophobicContact CG2-CG2 3.89Å; R201-V208 PolarHBondContact NH2-O 3.15Å; R201-V208 VanDerWaalsContact NH2-O 3.15Å; L206-V208 PolarHBondContact O-N 3.17Å; V208-I217 HydrophobicContact CG1-CB 4.2Å; V208-I217 HydrophobicContact CG1-CD1 3.98Å; V208-I217 HydrophobicContact CG1-CG2 3.52Å; V208-L221 HydrophobicContact CG1-CD1 3.71Å
209Q78.7Confident72.2Confident74 Ų7473.2 Ų73.235%0.34639%0.386SS..PPolyproline II helixtrans-93134.2176.8-174.6172.214.900112V169 L206 I217V169-Q209 HydrophobicContact CG2-CB 4.32Å; L206-Q209 VanDerWaalsContact O-CB 3.29Å; L206-Q209 WeakPolarHBondContact O-CB 3.27Å; L206-Q209 PolarHBondContact O-N 3.39Å; Q209-I217 VanDerWaalsContact O-CD1 3.27Å; Q209-I217 WeakPolarHBondContact O-CD1 3.49Å
210T67.3Low70.1Confident57 Ų5771.3 Ų71.335%0.3538%0.377SS..PPolyproline II helixtrans-80.9133.5163.749.40000108.6V212 R214 I217T210-V212 PolarHBondContact O-N 2.83Å; T210-R214 WeakPolarHBondContact CB-O 3.29Å; T210-R214 WeakPolarHBondContact CG2-O 3.21Å; T210-I217 HydrophobicContact CG2-CD1 3.37Å; T210-I217 HydrophobicContact CG2-CG1 3.58Å; T210-I217 VanDerWaalsContact N-CD1 3.29Å
211E55.9Low68Low96 Ų9674 Ų7445%0.44939%0.392SS..PPolyproline II helixtrans-53.5131160.8-65-167158.100108.1K75 G213 R214K75-E211 IonicContact NZ-OE1 2.74Å; K75-E211 PolarHBondContact NZ-OE1 3.02Å; E211-G213 PolarHBondContact O-N 3.26Å; E211-G213 VanDerWaalsContact O-N 3.1Å; E211-R214 PolarHBondContact O-N 3.49Å
212V41.9Very low66.7Low144 Ų14471.8 Ų71.887%0.87339%0.389SS*.THydrogen-bonded Turntrans-51.2120.6-172.2175.70000109.4T210T210-V212 PolarHBondContact O-N 2.83Å
213G41.8Very low65.2Low74 Ų7469.6 Ų69.676%0.76338%0.38SS*.THydrogen-bonded Turntrans109.28.6179.500000116.7E211E211-G213 PolarHBondContact O-N 3.26Å; E211-G213 VanDerWaalsContact O-N 3.1Å
214R48.4Very low63.5Low96 Ų9670.6 Ų70.636%0.36239%0.387SS..  trans-140.1125.1-176.6-64.2-172.8-178.5159.1-2.5115.1H132 T210 E211H132-R214 PolarHBondContact CE1-NH2 2.69Å; H132-R214 PolarHBondContact ND1-NH1 2.83Å; H132-R214 PolarHBondContact ND1-NH2 2.84Å; T210-R214 WeakPolarHBondContact CB-O 3.29Å; T210-R214 WeakPolarHBondContact CG2-O 3.21Å; E211-R214 PolarHBondContact O-N 3.49Å
215P43.3Very low61.6Low94 Ų9473.9 Ų73.961%0.6141%0.407SS*.  trans-89.88.3-168.131.7-33.6000117.9
216H49.5Very low59.6Low117 Ų11775.1 Ų75.154%0.54241%0.41SS..G310 helixtrans-100.918-155.5-59.6101.5000119.1Y218 S219H216-Y218 VanDerWaalsContact C-N 3.27Å; H216-Y218 PolarHBondContact O-N 3.44Å; H216-S219 PolarHBondContact O-N 2.87Å; H216-S219 VanDerWaalsContact O-N 3.15Å; H216-S219 PolarHBondContact O-OG 3.32Å
217I49.8Very low57.5Low18 Ų1873.3 Ų73.39%0.09240%0.402CS..G310 helixtrans-70.6-26.2178.8-46.4170.2000112.4T174 V208 Q209 T210 S219 A220 L221T174-I217 HydrophobicContact CG2-CG2 4.19Å; T174-I217 WeakPolarHBondContact OG1-CG2 3.36Å; V208-I217 HydrophobicContact CG1-CB 4.2Å; V208-I217 HydrophobicContact CG1-CD1 3.98Å; V208-I217 HydrophobicContact CG1-CG2 3.52Å; Q209-I217 VanDerWaalsContact O-CD1 3.27Å; Q209-I217 WeakPolarHBondContact O-CD1 3.49Å; T210-I217 HydrophobicContact CG2-CD1 3.37Å; T210-I217 HydrophobicContact CG2-CG1 3.58Å; T210-I217 VanDerWaalsContact N-CD1 3.29Å; I217-S219 PolarHBondContact O-N 3.22Å; I217-S219 VanDerWaalsContact O-N 3.17Å; I217-A220 WeakPolarHBondContact O-CA 3.19Å; I217-A220 PolarHBondContact O-N 3.22Å; I217-L221 HydrophobicContact CG2-CD1 4.15Å; I217-L221 HydrophobicContact CG2-CG 4.41Å; I217-L221 PolarHBondContact O-N 3.1Å
218Y48.1Very low54.8Low183 Ų18378.6 Ų78.672%0.71843%0.431SS*.G310 helixtrans-63.2-16.4172.9-65.9-73.4000113.6H216 A220H216-Y218 VanDerWaalsContact C-N 3.27Å; H216-Y218 PolarHBondContact O-N 3.44Å; Y218-A220 VanDerWaalsContact C-N 3.28Å
219S49.6Very low52.2Low69 Ų6983.8 Ų83.848%0.48346%0.459SS..G310 helixtrans-79.5-16.2171.764.40000112.7V134 T138 H216 I217V134-S219 WeakPolarHBondContact CG2-OG 2.99Å; T138-S219 WeakPolarHBondContact CG2-O 3.47Å; H216-S219 PolarHBondContact O-N 2.87Å; H216-S219 VanDerWaalsContact O-N 3.15Å; H216-S219 PolarHBondContact O-OG 3.32Å; I217-S219 PolarHBondContact O-N 3.22Å; I217-S219 VanDerWaalsContact O-N 3.17Å
220A50.6Low49.9Very low9 Ų984.6 Ų84.67%0.07447%0.468CS..THydrogen-bonded Turntrans-99.3-13.5177.500000114V134 T174 I178 I217 Y218V134-A220 HydrophobicContact CB-CB 4.25Å; V134-A220 HydrophobicContact CG1-CB 4.1Å; T174-A220 HydrophobicContact CG2-CB 4.12Å; I178-A220 WeakPolarHBondContact CD1-O 3.32Å; I178-A220 WeakPolarHBondContact CG1-O 3.22Å; I217-A220 WeakPolarHBondContact O-CA 3.19Å; I217-A220 PolarHBondContact O-N 3.22Å; Y218-A220 VanDerWaalsContact C-N 3.28Å
221L53.2Low48.4Very low58 Ų5887.1 Ų87.130%0.30448%0.479SS..  trans-109.10178.8-68.9170.9000110.3A177 I178 L181 V193 V197 V208 I217A177-L221 HydrophobicContact CB-CD2 3.51Å; I178-L221 HydrophobicContact CG1-CD2 3.85Å; L181-L221 HydrophobicContact CD1-CB 4.12Å; L181-L221 HydrophobicContact CD1-CD2 3.65Å; L181-L221 HydrophobicContact CD1-CG 4.49Å; V193-L221 HydrophobicContact CG1-CB 3.96Å; V193-L221 HydrophobicContact CG1-CD1 3.87Å; V193-L221 HydrophobicContact CG1-CG 4.47Å; V197-L221 HydrophobicContact CG2-CD1 4.2Å; V208-L221 HydrophobicContact CG1-CD1 3.71Å; I217-L221 HydrophobicContact CG2-CD1 4.15Å; I217-L221 HydrophobicContact CG2-CG 4.41Å; I217-L221 PolarHBondContact O-N 3.1Å

Retrieved 221 of 221 residues in 69.1 ms (Link to these results)

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