A0A146MGD6_SCHMA Loading...

Thioredoxin domain-containing protein 17

AlphaFold DB , UniProt , Accession A0A146MGD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.1Low81.4Confident164 Ų16482.4 Ų82.481%0.80844%0.444SS*.  0125.10-165.7-179.6-82.700107.6A62 V63 F64M1-A62 PolarHBondContact N-O 3.15Å; M1-V63 WeakPolarHBondContact O-CA 3.27Å; M1-V63 WeakPolarHBondContact O-CB 3.47Å; M1-F64 PolarHBondContact O-N 3.33Å
2S62Low82.6Confident69 Ų6980.8 Ų80.848%0.48343%0.432SS..BIsolated β-bridgetrans-94.8132.4175.8320000109.3L4S2-L4 PolarHBondContact O-N 3.47Å
3V58.7Low83.8Confident43 Ų4374.6 Ų74.626%0.26140%0.398SS..  trans-73.4118.6172.21800000107.5T5 F64 L65V3-T5 VanDerWaalsContact C-N 3.32Å; V3-T5 WeakPolarHBondContact CG1-O 3.36Å; V3-F64 PolarHBondContact N-O 3.13Å; V3-L65 HydrophobicContact CB-CD2 3.92Å; V3-L65 HydrophobicContact CG2-CD2 3.32Å
4L67.3Low84.8Confident165 Ų16572.6 Ų72.686%0.86439%0.387SS*.SBendtrans-70.1-30.5-175-72.2169.2000112.5S2S2-L4 PolarHBondContact O-N 3.47Å
5T85Confident85.5Confident95 Ų9576.8 Ų76.858%0.58340%0.401SS*.SBendtrans-91.9121.7-179.7-50.30000109.8V3 I7V3-T5 VanDerWaalsContact C-N 3.32Å; V3-T5 WeakPolarHBondContact CG1-O 3.36Å; T5-I7 PolarHBondContact O-N 2.68Å
6P89.9Confident86.2Confident32 Ų3274.1 Ų74.121%0.20839%0.386CS..PPolyproline II helixtrans-62.7136.2175.1-21.332.9000111.6K66 E68P6-K66 WeakPolarHBondContact CA-O 3.17Å; P6-E68 HydrophobicContact CB-CG 3.74Å; P6-E68 WeakPolarHBondContact CB-OE1 3.25Å; P6-E68 WeakPolarHBondContact CG-OE1 3.44Å
7I96.1Very high86.8Confident1 Ų170.3 Ų70.31%0.00537%0.366CS..BIsolated β-bridgetrans-79.3131.8178-63.2167.9000108.9T5 N9 E12 L13 E16 L65 K66 V67 E68T5-I7 PolarHBondContact O-N 2.68Å; I7-N9 WeakPolarHBondContact CG2-O 3.47Å; I7-E12 HydrophobicContact CB-CG 4.45Å; I7-E12 HydrophobicContact CG1-CG 4.23Å; I7-E12 HydrophobicContact CG2-CB 3.92Å; I7-E12 HydrophobicContact CG2-CG 3.84Å; I7-L13 HydrophobicContact CD1-CD1 3.8Å; I7-L13 HydrophobicContact CG2-CB 3.78Å; I7-L13 HydrophobicContact CG2-CD1 4.49Å; I7-E16 HydrophobicContact CD1-CB 3.88Å; I7-E16 HydrophobicContact CD1-CG 3.73Å; I7-E16 HydrophobicContact CG1-CG 4.31Å; I7-L65 HydrophobicContact CD1-CB 4.12Å; I7-L65 HydrophobicContact CD1-CD1 4.09Å; I7-L65 HydrophobicContact CD1-CD2 4.32Å; I7-L65 HydrophobicContact CD1-CG 4.41Å; I7-K66 PolarHBondContact N-O 3.49Å; I7-V67 HydrophobicContact CB-CG2 4.2Å; I7-V67 HydrophobicContact CG2-CG2 4.46Å; I7-V67 CarbonylContact O-C 3.52Å; I7-V67 WeakPolarHBondContact O-CA 3.49Å; I7-E68 PolarHBondContact O-N 3.1Å
8K94.9Very high87.4Confident127 Ų12775 Ų7555%0.55238%0.383SS*.  trans-114.6-9-171.3-61-173.1-179.1-167.70114.8E12 E68K8-E12 PolarHBondContact N-OE2 3.03Å; K8-E68 WeakPolarHBondContact CE-OE2 3.37Å; K8-E68 HydrophobicContact CG-CB 4.33Å; K8-E68 IonicContact NZ-OE2 3.68Å
9N95.3Very high87.8Confident70 Ų7076.4 Ų76.437%0.37439%0.39SS..SBendtrans-143.2165.9-178.164.874.3000111.3I7 D11 E12 L13I7-N9 WeakPolarHBondContact CG2-O 3.47Å; N9-D11 PolarHBondContact OD1-N 3.29Å; N9-E12 PolarHBondContact ND2-OE2 2.96Å; N9-E12 VanDerWaalsContact OD1-CB 3.28Å; N9-E12 WeakPolarHBondContact OD1-CB 3.21Å; N9-E12 PolarHBondContact OD1-N 2.98Å; N9-L13 PolarHBondContact O-N 2.56Å
10I96.6Very high88.2Confident23 Ų2373.6 Ų73.612%0.11838%0.376CS..Hα-helixtrans-70.4-35.4-173.9-16265000112.7L13 L14 V81 F82 H85 F88I10-L13 PolarHBondContact O-N 3.32Å; I10-L14 HydrophobicContact CG1-CD1 4.26Å; I10-L14 HydrophobicContact CG1-CG 4.44Å; I10-L14 WeakPolarHBondContact O-CB 3.08Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.24Å; I10-V81 HydrophobicContact CB-CG1 4.2Å; I10-V81 HydrophobicContact CB-CG2 3.75Å; I10-V81 HydrophobicContact CD1-CG2 4.3Å; I10-V81 HydrophobicContact CG1-CG2 3.9Å; I10-V81 HydrophobicContact CG2-CG2 3.89Å; I10-F82 HydrophobicContact CD1-CD1 4Å; I10-F82 HydrophobicContact CD1-CE1 4.02Å; I10-H85 HydrophobicContact CD1-CB 4.02Å; I10-F88 HydrophobicContact CD1-CD2 3.56Å; I10-F88 HydrophobicContact CD1-CE2 3.39Å; I10-F88 HydrophobicContact CG1-CE2 4.47Å
11D97.2Very high88.5Confident117 Ų11777.5 Ų77.563%0.62639%0.393SS*.Hα-helixtrans-69.9-41.9-176.1-64.9-35.6000111.2N9 L13 L14 K15N9-D11 PolarHBondContact OD1-N 3.29Å; D11-L13 VanDerWaalsContact C-N 3.35Å; D11-L14 PolarHBondContact O-N 3.24Å; D11-K15 WeakPolarHBondContact O-CB 3.4Å; D11-K15 PolarHBondContact O-N 3.08Å
12E96.4Very high90.5Very high64 Ų6473.1 Ų73.130%0.29939%0.389SS..Hα-helixtrans-61.6-43.6172-176.4-179.5-159.700110.8I7 K8 N9 L14 K15 E16I7-E12 HydrophobicContact CB-CG 4.45Å; I7-E12 HydrophobicContact CG1-CG 4.23Å; I7-E12 HydrophobicContact CG2-CB 3.92Å; I7-E12 HydrophobicContact CG2-CG 3.84Å; K8-E12 PolarHBondContact N-OE2 3.03Å; N9-E12 PolarHBondContact ND2-OE2 2.96Å; N9-E12 VanDerWaalsContact OD1-CB 3.28Å; N9-E12 WeakPolarHBondContact OD1-CB 3.21Å; N9-E12 PolarHBondContact OD1-N 2.98Å; E12-L14 PolarHBondContact O-N 3.17Å; E12-K15 WeakPolarHBondContact O-CB 3.33Å; E12-K15 PolarHBondContact O-N 3.1Å; E12-E16 WeakPolarHBondContact O-CG 3.43Å; E12-E16 PolarHBondContact O-N 3.48Å
13L97.4Very high92.1Very high0 Ų074.5 Ų74.50%039%0.387CS..Hα-helixtrans-61-46.2175.6-175.255.6000111.8I7 N9 I10 D11 K15 E16 V17 I27 F29 L65 V67 F82 F88I7-L13 HydrophobicContact CD1-CD1 3.8Å; I7-L13 HydrophobicContact CG2-CB 3.78Å; I7-L13 HydrophobicContact CG2-CD1 4.49Å; N9-L13 PolarHBondContact O-N 2.56Å; I10-L13 PolarHBondContact O-N 3.32Å; D11-L13 VanDerWaalsContact C-N 3.35Å; L13-K15 VanDerWaalsContact C-N 3.27Å; L13-K15 PolarHBondContact O-N 3.37Å; L13-E16 PolarHBondContact O-N 2.79Å; L13-V17 HydrophobicContact CD1-CG1 4.25Å; L13-V17 WeakPolarHBondContact O-CG1 3.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.02Å; L13-I27 HydrophobicContact CD1-CD1 4.17Å; L13-I27 HydrophobicContact CD1-CG2 4.22Å; L13-F29 HydrophobicContact CD2-CE1 3.98Å; L13-F29 HydrophobicContact CD2-CZ 3.98Å; L13-L65 HydrophobicContact CD1-CD1 4.1Å; L13-V67 HydrophobicContact CD1-CG2 3.72Å; L13-V67 HydrophobicContact CD2-CG2 3.89Å; L13-V67 HydrophobicContact CG-CG2 4.35Å; L13-F82 HydrophobicContact CD2-CD1 4.37Å; L13-F82 HydrophobicContact CD2-CE1 4.12Å; L13-F88 HydrophobicContact CD2-CD1 4.14Å; L13-F88 HydrophobicContact CD2-CD2 4.19Å; L13-F88 HydrophobicContact CD2-CE1 3.62Å; L13-F88 HydrophobicContact CD2-CE2 3.7Å; L13-F88 HydrophobicContact CD2-CG 4.4Å; L13-F88 HydrophobicContact CD2-CZ 3.39Å; L13-F88 HydrophobicContact CG-CE1 4.09Å; L13-F88 HydrophobicContact CG-CE2 4.26Å; L13-F88 HydrophobicContact CG-CZ 3.65Å
14L97.6Very high93.9Very high46 Ų4675 Ų7524%0.24138%0.384CS..Hα-helixtrans-63.5-33.9178.2-71.8174.4000112.3I10 D11 E12 V17 K18 K87 F88I10-L14 HydrophobicContact CG1-CD1 4.26Å; I10-L14 HydrophobicContact CG1-CG 4.44Å; I10-L14 WeakPolarHBondContact O-CB 3.08Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.24Å; D11-L14 PolarHBondContact O-N 3.24Å; E12-L14 PolarHBondContact O-N 3.17Å; L14-V17 VanDerWaalsContact O-CG2 3.27Å; L14-V17 WeakPolarHBondContact O-CG2 3.36Å; L14-K18 WeakPolarHBondContact O-CB 3.48Å; L14-K18 PolarHBondContact O-N 3.2Å; L14-K87 HydrophobicContact CD2-CD 3.91Å; L14-F88 HydrophobicContact CD2-CE2 4.17Å; L14-F88 HydrophobicContact CD2-CZ 4.23Å
15K96.7Very high95.3Very high136 Ų13667.5 Ų67.559%0.59134%0.344SS*.Hα-helixtrans-68.5-48.1173.5-176.3-175.7175.2-171.90111.2D11 E12 L13 V17 K18 I19D11-K15 WeakPolarHBondContact O-CB 3.4Å; D11-K15 PolarHBondContact O-N 3.08Å; E12-K15 WeakPolarHBondContact O-CB 3.33Å; E12-K15 PolarHBondContact O-N 3.1Å; L13-K15 VanDerWaalsContact C-N 3.27Å; L13-K15 PolarHBondContact O-N 3.37Å; K15-V17 PolarHBondContact O-N 2.79Å; K15-K18 WeakPolarHBondContact O-CB 3.35Å; K15-K18 PolarHBondContact O-N 3.35Å; K15-K18 VanDerWaalsContact O-N 3.13Å; K15-I19 HydrophobicContact CG-CD1 3.96Å; K15-I19 WeakPolarHBondContact O-CG1 3.06Å; K15-I19 PolarHBondContact O-N 3.3Å
16E96.2Very high95.9Very high34 Ų3463 Ų6316%0.15932%0.317CS..Hα-helixtrans-63.3-42.2-179.1-74.9-55.613500112.3I7 E12 L13 K18 I19 H20 L65I7-E16 HydrophobicContact CD1-CB 3.88Å; I7-E16 HydrophobicContact CD1-CG 3.73Å; I7-E16 HydrophobicContact CG1-CG 4.31Å; E12-E16 WeakPolarHBondContact O-CG 3.43Å; E12-E16 PolarHBondContact O-N 3.48Å; L13-E16 PolarHBondContact O-N 2.79Å; E16-K18 PolarHBondContact O-N 3Å; E16-I19 PolarHBondContact O-N 3.44Å; E16-H20 PolarHBondContact O-N 3.04Å; E16-H20 VanDerWaalsContact O-N 3.15Å; E16-H20 PolarHBondContact O-ND1 3.2Å; E16-H20 IonicContact OE2-CE1 3.2Å; E16-H20 PolarHBondContact OE2-CE1 3.26Å; E16-H20 VanDerWaalsContact OE2-CE1 3.29Å; E16-H20 IonicContact OE2-ND1 3.37Å; E16-L65 HydrophobicContact CB-CD1 3.97Å; E16-L65 HydrophobicContact CB-CD2 4.46Å
17V96.6Very high96.3Very high9 Ų961.4 Ų61.46%0.05531%0.307CS..Hα-helixtrans-65.2-29.5175.8-58.80000112.5L13 L14 K15 E21 I25 I27 L65 F99L13-V17 HydrophobicContact CD1-CG1 4.25Å; L13-V17 WeakPolarHBondContact O-CG1 3.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.02Å; L14-V17 VanDerWaalsContact O-CG2 3.27Å; L14-V17 WeakPolarHBondContact O-CG2 3.36Å; K15-V17 PolarHBondContact O-N 2.79Å; V17-E21 PolarHBondContact O-N 2.91Å; V17-I25 HydrophobicContact CB-CD1 4.09Å; V17-I25 HydrophobicContact CG1-CD1 4.48Å; V17-I25 HydrophobicContact CG1-CG2 4.28Å; V17-I25 WeakPolarHBondContact O-CD1 3.44Å; V17-I27 HydrophobicContact CG1-CD1 3.98Å; V17-L65 HydrophobicContact CG1-CD1 4.18Å; V17-F99 HydrophobicContact CB-CD1 3.97Å; V17-F99 HydrophobicContact CB-CE1 3.69Å; V17-F99 HydrophobicContact CB-CE2 4.49Å; V17-F99 HydrophobicContact CB-CG 4.49Å; V17-F99 HydrophobicContact CB-CZ 3.98Å; V17-F99 HydrophobicContact CG1-CD1 4.09Å; V17-F99 HydrophobicContact CG1-CD2 4.18Å; V17-F99 HydrophobicContact CG1-CE1 4.14Å; V17-F99 HydrophobicContact CG1-CE2 4.24Å; V17-F99 HydrophobicContact CG1-CG 4.11Å; V17-F99 HydrophobicContact CG1-CZ 4.22Å; V17-F99 HydrophobicContact CG2-CE1 3.84Å; V17-F99 HydrophobicContact CG2-CE2 4.34Å; V17-F99 HydrophobicContact CG2-CZ 3.7Å
18K96.4Very high96.4Very high155 Ų15561.9 Ų61.967%0.67431%0.309SS*.Hα-helixtrans-75.4-39.8175.8-173.8178.2-178.6-179.80112.1L14 K15 E16 H20 E21L14-K18 WeakPolarHBondContact O-CB 3.48Å; L14-K18 PolarHBondContact O-N 3.2Å; K15-K18 WeakPolarHBondContact O-CB 3.35Å; K15-K18 PolarHBondContact O-N 3.35Å; K15-K18 VanDerWaalsContact O-N 3.13Å; E16-K18 PolarHBondContact O-N 3Å; K18-H20 PolarHBondContact O-N 3.22Å; K18-E21 VanDerWaalsContact O-CB 3.31Å; K18-E21 WeakPolarHBondContact O-CB 3.49Å; K18-E21 PolarHBondContact O-N 3.33Å
19I95.6Very high96.5Very high101 Ų10155.9 Ų55.952%0.51828%0.283SS..Hα-helixtrans-59.3-35.5175.2-72.1167.1000110.9K15 E16K15-I19 HydrophobicContact CG-CD1 3.96Å; K15-I19 WeakPolarHBondContact O-CG1 3.06Å; K15-I19 PolarHBondContact O-N 3.3Å; E16-I19 PolarHBondContact O-N 3.44Å
20H95.4Very high96.6Very high21 Ų2152.8 Ų52.810%0.09727%0.267CS..THydrogen-bonded Turntrans-99.118.2-177.2-62.288.2000113.5E16 K18 G22 K23 I25 V63E16-H20 PolarHBondContact O-N 3.04Å; E16-H20 VanDerWaalsContact O-N 3.15Å; E16-H20 PolarHBondContact O-ND1 3.2Å; E16-H20 IonicContact OE2-CE1 3.2Å; E16-H20 PolarHBondContact OE2-CE1 3.26Å; E16-H20 VanDerWaalsContact OE2-CE1 3.29Å; E16-H20 IonicContact OE2-ND1 3.37Å; K18-H20 PolarHBondContact O-N 3.22Å; H20-G22 PolarHBondContact O-N 3.05Å; H20-K23 WeakPolarHBondContact O-CB 3.31Å; H20-K23 PolarHBondContact O-N 3.03Å; H20-K23 VanDerWaalsContact O-N 3.08Å; H20-I25 HydrophobicContact CB-CD1 3.89Å; H20-I25 HydrophobicContact CB-CG1 4.19Å; H20-V63 HydrophobicContact CB-CG2 3.77Å; H20-V63 WeakPolarHBondContact CD2-CG1 3.38Å
21E94.7Very high96.6Very high156 Ų15651.7 Ų51.773%0.72926%0.261SS*.THydrogen-bonded Turntrans-54.2138.5175.4-174.5167.6-144.400111V17 K18 K23V17-E21 PolarHBondContact O-N 2.91Å; K18-E21 VanDerWaalsContact O-CB 3.31Å; K18-E21 WeakPolarHBondContact O-CB 3.49Å; K18-E21 PolarHBondContact O-N 3.33Å; E21-K23 VanDerWaalsContact C-N 3.31Å
22G94.6Very high96.5Very high72 Ų7247.8 Ų47.874%0.74224%0.242SC*.THydrogen-bonded Turntrans85.1-6.5-173.900000115.2H20H20-G22 PolarHBondContact O-N 3.05Å
23K95.5Very high96.3Very high98 Ų9846.8 Ų46.843%0.42624%0.241SC..SBendtrans-101.4163.5170.4-58-174176.6176.50111.1H20 E21 V63H20-K23 WeakPolarHBondContact O-CB 3.31Å; H20-K23 PolarHBondContact O-N 3.03Å; H20-K23 VanDerWaalsContact O-N 3.08Å; E21-K23 VanDerWaalsContact C-N 3.31Å; K23-V63 HydrophobicContact CD-CG1 3.99Å
24R96.4Very high96.1Very high53 Ų5350.9 Ų50.920%0.226%0.262CS..EExtended strand (participates in β ladder)trans-75.1127.4165.5-61.5-176.263.5-160.8-5.9108.8F26 N61 A62 V63 E98 M119 F120 D122R24-F26 HydrophobicContact CB-CE2 4.16Å; R24-N61 PolarHBondContact N-O 3.34Å; R24-A62 HydrophobicContact CB-CB 4Å; R24-A62 CarbonylContact O-C 3.59Å; R24-A62 VanDerWaalsContact O-CA 3.22Å; R24-A62 WeakPolarHBondContact O-CA 3.39Å; R24-V63 PolarHBondContact O-N 3.3Å; R24-E98 IonicContact CZ-OE1 3.1Å; R24-E98 IonicContact NE-OE1 2.66Å; R24-E98 PolarHBondContact NE-OE1 3.27Å; R24-E98 IonicContact NH2-OE1 2.78Å; R24-E98 PolarHBondContact NH2-OE1 3.1Å; R24-E98 IonicContact NH2-OE2 2.76Å; R24-E98 PolarHBondContact NH2-OE2 3.31Å; R24-M119 PolarHBondContact NH2-O 2.89Å; R24-F120 PolarHBondContact NH1-O 2.94Å; R24-D122 PolarHBondContact NH1-OXT 3.46Å; R24-D122 VanDerWaalsContact NH1-OXT 3.1Å; R24-D122 PolarHBondContact NH2-OXT 2.89Å
25I97.4Very high95.6Very high7 Ų755.2 Ų55.24%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-121.2112.1-173.5-52.2176.6000108.3V17 H20 I27 V63 L65 E98 F99V17-I25 HydrophobicContact CB-CD1 4.09Å; V17-I25 HydrophobicContact CG1-CD1 4.48Å; V17-I25 HydrophobicContact CG1-CG2 4.28Å; V17-I25 WeakPolarHBondContact O-CD1 3.44Å; H20-I25 HydrophobicContact CB-CD1 3.89Å; H20-I25 HydrophobicContact CB-CG1 4.19Å; I25-I27 HydrophobicContact CG2-CD1 4.31Å; I25-I27 HydrophobicContact CG2-CG1 3.96Å; I25-V63 HydrophobicContact CB-CG2 4.04Å; I25-V63 HydrophobicContact CG1-CG2 3.74Å; I25-V63 HydrophobicContact CG2-CG2 3.94Å; I25-L65 HydrophobicContact CG2-CD1 3.8Å; I25-L65 HydrophobicContact CG2-CG 4.21Å; I25-E98 CarbonylContact O-C 3.6Å; I25-E98 WeakPolarHBondContact O-CA 3.41Å; I25-F99 HydrophobicContact CB-CB 3.95Å; I25-F99 HydrophobicContact CD1-CD1 4.16Å; I25-F99 HydrophobicContact CG2-CB 4.16Å; I25-F99 PolarHBondContact O-N 3.15Å
26F97.7Very high95.3Very high0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-100.6132.8174.8-58.8-81.8000109.9R24 L58 A62 V63 F64 L65 L96 I97 E98 M119 F120R24-F26 HydrophobicContact CB-CE2 4.16Å; F26-L58 HydrophobicContact CD2-CD1 3.59Å; F26-L58 HydrophobicContact CE2-CD1 3.83Å; F26-L58 HydrophobicContact CG-CD1 4.49Å; F26-A62 HydrophobicContact CD2-CB 4.04Å; F26-A62 HydrophobicContact CE2-CB 3.67Å; F26-V63 PolarHBondContact N-O 2.9Å; F26-F64 HydrophobicContact CB-CD2 4.07Å; F26-F64 WeakPolarHBondContact O-CA 3.11Å; F26-L65 PolarHBondContact O-N 2.86Å; F26-L96 HydrophobicContact CB-CD1 4.33Å; F26-I97 CarbonylContact C-O 3.55Å; F26-I97 WeakPolarHBondContact CA-O 3.31Å; F26-E98 HydrophobicContact CD1-CB 3.89Å; F26-E98 HydrophobicContact CD1-CG 4.13Å; F26-E98 HydrophobicContact CE1-CB 3.9Å; F26-E98 HydrophobicContact CE1-CG 3.91Å; F26-M119 HydrophobicContact CD1-CE 4.25Å; F26-M119 HydrophobicContact CD1-CG 4.35Å; F26-M119 HydrophobicContact CE1-CG 4.09Å; F26-M119 WeakPolarHBondContact CE1-O 3.46Å; F26-F120 HydrophobicContact CB-CE1 4.02Å; F26-F120 AromaticContact CD1-CD1 3.78Å; F26-F120 HydrophobicContact CD1-CD1 3.78Å; F26-F120 AromaticContact CD1-CE1 3.84Å; F26-F120 HydrophobicContact CD1-CE1 3.84Å; F26-F120 HydrophobicContact CD2-CD1 4.04Å; F26-F120 HydrophobicContact CD2-CE1 4.15Å; F26-F120 AromaticContact CE1-CD1 3.71Å; F26-F120 HydrophobicContact CE1-CD1 3.71Å; F26-F120 HydrophobicContact CE1-CE1 4.26Å; F26-F120 AromaticContact CE2-CD1 3.93Å; F26-F120 HydrophobicContact CE2-CD1 3.93Å; F26-F120 AromaticContact CG-CD1 3.9Å; F26-F120 HydrophobicContact CG-CD1 3.9Å; F26-F120 AromaticContact CG-CE1 3.73Å; F26-F120 HydrophobicContact CG-CE1 3.73Å; F26-F120 AromaticContact CZ-CD1 3.72Å; F26-F120 HydrophobicContact CZ-CD1 3.72Å
27I97.9Very high94.7Very high0 Ų055.2 Ų55.20%032%0.318CS..EExtended strand (participates in β ladder)trans-126.7114.1-174.6-48.5171.6000108.9L13 V17 I25 F29 L65 V67 F88 L96 I97 F99L13-I27 HydrophobicContact CD1-CD1 4.17Å; L13-I27 HydrophobicContact CD1-CG2 4.22Å; V17-I27 HydrophobicContact CG1-CD1 3.98Å; I25-I27 HydrophobicContact CG2-CD1 4.31Å; I25-I27 HydrophobicContact CG2-CG1 3.96Å; I27-F29 HydrophobicContact CB-CE2 3.85Å; I27-F29 HydrophobicContact CB-CZ 4.38Å; I27-F29 HydrophobicContact CG2-CD2 4Å; I27-F29 HydrophobicContact CG2-CE1 4.34Å; I27-F29 HydrophobicContact CG2-CE2 3.4Å; I27-F29 HydrophobicContact CG2-CZ 3.6Å; I27-L65 WeakPolarHBondContact CA-O 3.38Å; I27-L65 HydrophobicContact CG1-CB 4.34Å; I27-L65 HydrophobicContact CG1-CD1 4.34Å; I27-L65 HydrophobicContact CG2-CB 4.37Å; I27-V67 HydrophobicContact CG2-CB 4.44Å; I27-V67 HydrophobicContact CG2-CG2 3.51Å; I27-F88 HydrophobicContact CD1-CE1 3.92Å; I27-L96 WeakPolarHBondContact O-CA 3.24Å; I27-I97 HydrophobicContact CB-CG1 3.97Å; I27-I97 HydrophobicContact CD1-CD1 4.38Å; I27-I97 HydrophobicContact CD1-CG1 4.47Å; I27-I97 HydrophobicContact CG1-CG1 4.49Å; I27-I97 PolarHBondContact N-O 2.79Å; I27-I97 PolarHBondContact O-N 3.44Å; I27-F99 HydrophobicContact CD1-CB 3.81Å; I27-F99 HydrophobicContact CD1-CD2 3.93Å; I27-F99 HydrophobicContact CD1-CG 4.12Å; I27-F99 HydrophobicContact CG1-CB 4.45Å
28L97.9Very high94.1Very high11 Ų1158 Ų586%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-91.7118.9170.7178.969.2000109.5V51 F64 L65 K66 V67 P94 S95 L96 V110L28-V51 HydrophobicContact CD1-CG2 4.18Å; L28-V51 HydrophobicContact CD2-CB 4.44Å; L28-V51 HydrophobicContact CD2-CG1 4.15Å; L28-V51 HydrophobicContact CD2-CG2 4.41Å; L28-F64 HydrophobicContact CB-CE1 4.44Å; L28-F64 HydrophobicContact CB-CE2 3.85Å; L28-F64 HydrophobicContact CB-CZ 3.48Å; L28-F64 VanDerWaalsContact CB-CZ 3.48Å; L28-F64 HydrophobicContact CD2-CZ 3.99Å; L28-F64 HydrophobicContact CG-CZ 4.36Å; L28-L65 PolarHBondContact N-O 3.18Å; L28-K66 CarbonylContact O-C 3.57Å; L28-K66 WeakPolarHBondContact O-CA 3.46Å; L28-V67 PolarHBondContact O-N 3.29Å; L28-P94 HydrophobicContact CD1-CB 4.25Å; L28-S95 CarbonylContact C-O 3.59Å; L28-S95 WeakPolarHBondContact CA-O 3.38Å; L28-L96 HydrophobicContact CB-CD1 4.12Å; L28-L96 HydrophobicContact CD1-CB 4.38Å; L28-V110 HydrophobicContact CD1-CG2 4.31Å
29F98.1Very high93.7Very high0 Ų051.6 Ų51.60%031%0.309CS..EExtended strand (participates in β ladder)trans-94.8125.2170.3-64.1-95.9000109.4L13 I27 V67 V69 F82 F88 I90 I93 P94 S95 I97L13-F29 HydrophobicContact CD2-CE1 3.98Å; L13-F29 HydrophobicContact CD2-CZ 3.98Å; I27-F29 HydrophobicContact CB-CE2 3.85Å; I27-F29 HydrophobicContact CB-CZ 4.38Å; I27-F29 HydrophobicContact CG2-CD2 4Å; I27-F29 HydrophobicContact CG2-CE1 4.34Å; I27-F29 HydrophobicContact CG2-CE2 3.4Å; I27-F29 HydrophobicContact CG2-CZ 3.6Å; F29-V67 HydrophobicContact CD1-CB 3.69Å; F29-V67 HydrophobicContact CD1-CG1 3.61Å; F29-V67 HydrophobicContact CD1-CG2 4.26Å; F29-V67 HydrophobicContact CE1-CB 3.92Å; F29-V67 HydrophobicContact CE1-CG1 3.76Å; F29-V67 HydrophobicContact CE1-CG2 4.01Å; F29-V67 HydrophobicContact CG-CB 4.3Å; F29-V67 HydrophobicContact CZ-CG2 4.41Å; F29-V69 HydrophobicContact CB-CG1 4.01Å; F29-V69 HydrophobicContact CD1-CG1 3.98Å; F29-F82 HydrophobicContact CD1-CB 4.28Å; F29-F82 HydrophobicContact CD1-CD1 4.27Å; F29-F82 HydrophobicContact CD1-CG 4.32Å; F29-F82 HydrophobicContact CE1-CB 4.24Å; F29-F82 AromaticContact CE1-CD1 3.75Å; F29-F82 HydrophobicContact CE1-CD1 3.75Å; F29-F82 HydrophobicContact CE1-CE1 4.43Å; F29-F82 HydrophobicContact CE1-CG 4.19Å; F29-F88 HydrophobicContact CZ-CB 4.19Å; F29-F88 AromaticContact CZ-CD1 3.78Å; F29-F88 HydrophobicContact CZ-CD1 3.78Å; F29-F88 HydrophobicContact CZ-CE1 4.46Å; F29-F88 HydrophobicContact CZ-CG 4.09Å; F29-I90 HydrophobicContact CB-CG2 4.24Å; F29-I90 HydrophobicContact CD1-CD1 4.48Å; F29-I90 HydrophobicContact CD1-CG1 3.87Å; F29-I90 HydrophobicContact CD2-CD1 3.56Å; F29-I90 HydrophobicContact CD2-CG1 3.85Å; F29-I90 HydrophobicContact CE1-CD1 4.43Å; F29-I90 HydrophobicContact CE1-CG1 3.93Å; F29-I90 HydrophobicContact CE2-CD1 3.5Å; F29-I90 HydrophobicContact CE2-CG1 3.92Å; F29-I90 HydrophobicContact CG-CD1 4.08Å; F29-I90 HydrophobicContact CG-CG1 3.83Å; F29-I90 HydrophobicContact CG-CG2 4.37Å; F29-I90 HydrophobicContact CZ-CD1 3.96Å; F29-I90 HydrophobicContact CZ-CG1 3.95Å; F29-I93 HydrophobicContact CB-CG2 4.31Å; F29-P94 VanDerWaalsContact O-CA 3.24Å; F29-P94 WeakPolarHBondContact O-CA 3.34Å; F29-S95 PolarHBondContact N-O 3.32Å; F29-S95 PolarHBondContact O-N 3.23Å; F29-I97 HydrophobicContact CE2-CD1 3.74Å; F29-I97 HydrophobicContact CE2-CG1 3.94Å; F29-I97 HydrophobicContact CZ-CD1 4.33Å
30C96.9Very high93.7Very high5 Ų548.8 Ų48.83%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-142.9164.6178.164.30000111.5C44 K66 V67 E68 V69C30-C44 HydrophobicContact CB-CB 4.37Å; C30-K66 WeakPolarHBondContact SG-CE 3.46Å; C30-V67 PolarHBondContact N-O 2.76Å; C30-E68 WeakPolarHBondContact O-CA 3.48Å; C30-V69 WeakPolarHBondContact O-CG2 3.4Å; C30-V69 PolarHBondContact O-N 3.1Å
31G96.5Very high93.7Very high0 Ų048.1 Ų48.10%029%0.289CS..PPolyproline II helixtrans-63.9143.9173.900000111.2P33 N39 W40 C44G31-P33 WeakPolarHBondContact O-CD 3.22Å; G31-N39 PolarHBondContact O-ND2 2.79Å; G31-W40 VanDerWaalsContact CA-CZ2 3.46Å; G31-C44 PolarHBondContact N-SG 3.23Å; G31-C44 VanDerWaalsContact N-SG 3.44Å
32T95.3Very high93.7Very high36 Ų3644.6 Ų44.622%0.22128%0.279CS..PPolyproline II helixtrans-61.9124.1171.4-55.10000109.2W40 E68 G70T32-W40 PolarHBondContact O-NE1 2.97Å; T32-E68 VanDerWaalsContact CG2-OE2 3.26Å; T32-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T32-E68 WeakPolarHBondContact OG1-CB 3.34Å; T32-G70 WeakPolarHBondContact CB-O 3.43Å; T32-G70 PolarHBondContact N-O 2.81Å; T32-G70 VanDerWaalsContact OG1-C 3.26Å; T32-G70 WeakPolarHBondContact OG1-CA 3.24Å; T32-G70 PolarHBondContact OG1-N 2.88Å; T32-G70 VanDerWaalsContact OG1-N 3.08Å; T32-G70 PolarHBondContact OG1-O 2.88Å
33P92.7Very high93.8Very high42 Ų4244.1 Ų44.127%0.27326%0.26SS..PPolyproline II helixtrans-57.2148.4173.9-23.334.3000111.9G31 T38 E68G31-P33 WeakPolarHBondContact O-CD 3.22Å; P33-T38 CarbonylContact C-O 3.54Å; P33-T38 WeakPolarHBondContact CA-O 3.37Å; P33-E68 VanDerWaalsContact CD-OE1 3.3Å; P33-E68 WeakPolarHBondContact CD-OE1 3.29Å
34L91.7Very high93.8Very high86 Ų8639.6 Ų39.645%0.4524%0.241SC..PPolyproline II helixtrans-67.1167.1168.4-60.3179.4000109.9D36 G37 T38 W40L34-D36 WeakPolarHBondContact CB-OD1 3.45Å; L34-D36 PolarHBondContact O-N 3.32Å; L34-D36 VanDerWaalsContact O-N 3.12Å; L34-G37 PolarHBondContact O-N 3.31Å; L34-T38 PolarHBondContact N-O 3.24Å; L34-W40 HydrophobicContact CD2-CB 4.44Å; L34-W40 HydrophobicContact CG-CB 4.47Å
35S88.6Confident93.7Very high138 Ų13840.7 Ų40.797%0.96525%0.253SS*.THydrogen-bonded Turntrans-61.6-21.3-178.152.60000114.2G37S35-G37 VanDerWaalsContact C-N 3.27Å
36D89.3Confident93.7Very high109 Ų10946.8 Ų46.858%0.58328%0.279SS*.THydrogen-bonded Turntrans-84.82.3174.667.5-3000113.3L34 T38L34-D36 WeakPolarHBondContact CB-OD1 3.45Å; L34-D36 PolarHBondContact O-N 3.32Å; L34-D36 VanDerWaalsContact O-N 3.12Å; D36-T38 VanDerWaalsContact C-N 3.28Å; D36-T38 VanDerWaalsContact CG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.38Å; D36-T38 WeakPolarHBondContact OD1-CB 3.25Å; D36-T38 WeakPolarHBondContact OD1-CG2 3.38Å; D36-T38 PolarHBondContact OD1-N 2.71Å; D36-T38 PolarHBondContact OD1-OG1 3.39Å; D36-T38 PolarHBondContact OD2-OG1 2.81Å
37G82.9Confident93.5Very high60 Ų6046.8 Ų46.862%0.61928%0.28SS*.SBendtrans83.1-5.1-177.700000114.4L34 S35L34-G37 PolarHBondContact O-N 3.31Å; S35-G37 VanDerWaalsContact C-N 3.27Å
38T84.4Confident93.3Very high69 Ų6951 Ų5142%0.42330%0.299SS..  trans-76.8151.3176.368.80000110.9P33 L34 D36P33-T38 CarbonylContact C-O 3.54Å; P33-T38 WeakPolarHBondContact CA-O 3.37Å; L34-T38 PolarHBondContact N-O 3.24Å; D36-T38 VanDerWaalsContact C-N 3.28Å; D36-T38 VanDerWaalsContact CG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.38Å; D36-T38 WeakPolarHBondContact OD1-CB 3.25Å; D36-T38 WeakPolarHBondContact OD1-CG2 3.38Å; D36-T38 PolarHBondContact OD1-N 2.71Å; D36-T38 PolarHBondContact OD1-OG1 3.39Å; D36-T38 PolarHBondContact OD2-OG1 2.81Å
39N88.8Confident93.2Very high20 Ų2054 Ų5411%0.10732%0.32CS..  trans-99.1130.5175.7-155.4-44.5000110.4G31 C41 V45G31-N39 PolarHBondContact O-ND2 2.79Å; N39-C41 PolarHBondContact O-N 2.89Å; N39-C41 PolarHBondContact OD1-N 2.86Å; N39-C41 VanDerWaalsContact OD1-N 3.12Å; N39-V45 HydrophobicContact CB-CG2 3.8Å
40W94.6Very high93.2Very high42 Ų4256 Ų5616%0.15933%0.33CS..SBendtrans-69.2-15.4177.757.3-99.1000113.1G31 T32 L34 P42 G70 D71 R72 W75 I93G31-W40 VanDerWaalsContact CA-CZ2 3.46Å; T32-W40 PolarHBondContact O-NE1 2.97Å; L34-W40 HydrophobicContact CD2-CB 4.44Å; L34-W40 HydrophobicContact CG-CB 4.47Å; W40-P42 WeakPolarHBondContact O-CD 3.42Å; W40-G70 VanDerWaalsContact CZ2-O 3.31Å; W40-G70 WeakPolarHBondContact CZ2-O 3.3Å; W40-G70 PolarHBondContact NE1-O 2.84Å; W40-D71 VanDerWaalsContact CZ2-C 3.48Å; W40-R72 HydrophobicContact CD2-CB 3.81Å; W40-R72 HydrophobicContact CE3-CB 3.54Å; W40-R72 HydrophobicContact CE3-CG 3.85Å; W40-R72 HydrophobicContact CG-CB 4.41Å; W40-R72 HydrophobicContact CH2-CB 4.31Å; W40-R72 HydrophobicContact CZ3-CB 3.82Å; W40-R72 HydrophobicContact CZ3-CG 3.89Å; W40-W75 HydrophobicContact CH2-CB 3.75Å; W40-W75 AromaticContact CH2-CD1 3.78Å; W40-W75 AromaticContact CH2-CG 3.98Å; W40-W75 HydrophobicContact CH2-CG 3.98Å; W40-W75 HydrophobicContact CZ2-CB 4.15Å; W40-I93 HydrophobicContact CH2-CD1 3.44Å; W40-I93 VanDerWaalsContact CH2-CD1 3.44Å; W40-I93 HydrophobicContact CZ2-CD1 3.98Å; W40-I93 HydrophobicContact CZ3-CD1 4.2Å
41C95.6Very high93.1Very high7 Ų756 Ų565%0.04733%0.329CS..  trans-96.5111.2178.3178.70000110.5N39 D43 C44 V45 I93N39-C41 PolarHBondContact O-N 2.89Å; N39-C41 PolarHBondContact OD1-N 2.86Å; N39-C41 VanDerWaalsContact OD1-N 3.12Å; C41-D43 VanDerWaalsContact C-N 3.27Å; C41-D43 PolarHBondContact O-N 2.79Å; C41-C44 HydrophobicContact CB-CB 3.83Å; C41-C44 WeakPolarHBondContact O-CB 3.33Å; C41-C44 PolarHBondContact O-N 3Å; C41-C44 VanDerWaalsContact O-N 3.1Å; C41-C44 PolarHBondContact SG-SG 2.84Å; C41-V45 PolarHBondContact O-N 2.93Å; C41-V45 VanDerWaalsContact O-N 3.15Å; C41-I93 HydrophobicContact CB-CD1 4.31Å
42P95.1Very high93.1Very high81 Ų8163.4 Ų63.453%0.52636%0.362SS..Hα-helixtrans-59.5-35.3-179.6-25.335.2000113.6W40 C44 V45 K46W40-P42 WeakPolarHBondContact O-CD 3.42Å; P42-C44 VanDerWaalsContact C-N 3.34Å; P42-V45 WeakPolarHBondContact O-CB 3.29Å; P42-V45 PolarHBondContact O-N 3.2Å; P42-K46 WeakPolarHBondContact O-CG 3.42Å; P42-K46 PolarHBondContact O-N 2.68Å; P42-K46 VanDerWaalsContact O-N 3.1Å
43D96Very high93.2Very high62 Ų6265.6 Ų65.633%0.33237%0.369SS..Hα-helixtrans-71.1-33.2179.2-56.8-45.5000111.2C41 V45 K46 G47 P94C41-D43 VanDerWaalsContact C-N 3.27Å; C41-D43 PolarHBondContact O-N 2.79Å; D43-V45 VanDerWaalsContact C-N 3.34Å; D43-K46 PolarHBondContact O-N 3.13Å; D43-G47 PolarHBondContact O-N 3.12Å; D43-P94 WeakPolarHBondContact O-CG 3.47Å
44C95.8Very high93.3Very high3 Ų363.6 Ų63.62%0.0236%0.356CS..Hα-helixtrans-64.4-41.5172.7-700000110.7C30 G31 C41 P42 K46 G47 E48C30-C44 HydrophobicContact CB-CB 4.37Å; G31-C44 PolarHBondContact N-SG 3.23Å; G31-C44 VanDerWaalsContact N-SG 3.44Å; C41-C44 HydrophobicContact CB-CB 3.83Å; C41-C44 WeakPolarHBondContact O-CB 3.33Å; C41-C44 PolarHBondContact O-N 3Å; C41-C44 VanDerWaalsContact O-N 3.1Å; C41-C44 PolarHBondContact SG-SG 2.84Å; P42-C44 VanDerWaalsContact C-N 3.34Å; C44-K46 VanDerWaalsContact C-N 3.29Å; C44-K46 PolarHBondContact O-N 2.89Å; C44-G47 PolarHBondContact O-N 3.47Å; C44-E48 WeakPolarHBondContact O-CB 3.33Å; C44-E48 PolarHBondContact O-N 2.98Å
45V95.5Very high93.5Very high77 Ų7761.7 Ų61.747%0.46735%0.347SS..Hα-helixtrans-59.7-40.1175.3177.20000111.3N39 C41 P42 D43 P49N39-V45 HydrophobicContact CB-CG2 3.8Å; C41-V45 PolarHBondContact O-N 2.93Å; C41-V45 VanDerWaalsContact O-N 3.15Å; P42-V45 WeakPolarHBondContact O-CB 3.29Å; P42-V45 PolarHBondContact O-N 3.2Å; D43-V45 VanDerWaalsContact C-N 3.34Å; V45-P49 VanDerWaalsContact O-CD 3.24Å; V45-P49 WeakPolarHBondContact O-CD 3.23Å
46K95.6Very high93.8Very high134 Ų13462.3 Ų62.358%0.58333%0.332SS*.Hα-helixtrans-71-40.8177.6-70174.5-176.9172.30113.1P42 D43 C44 P49 V111P42-K46 WeakPolarHBondContact O-CG 3.42Å; P42-K46 PolarHBondContact O-N 2.68Å; P42-K46 VanDerWaalsContact O-N 3.1Å; D43-K46 PolarHBondContact O-N 3.13Å; C44-K46 VanDerWaalsContact C-N 3.29Å; C44-K46 PolarHBondContact O-N 2.89Å; K46-P49 WeakPolarHBondContact O-CD 3.46Å; K46-P49 WeakPolarHBondContact O-CG 3.43Å; K46-V111 HydrophobicContact CB-CG1 4.18Å
47G95.2Very high94.1Very high1 Ų161.7 Ų61.71%0.0132%0.324CS..Hα-helixtrans-77.2-31-176.200000114.2D43 C44 I50 V51D43-G47 PolarHBondContact O-N 3.12Å; C44-G47 PolarHBondContact O-N 3.47Å; G47-I50 WeakPolarHBondContact O-CB 3.41Å; G47-I50 PolarHBondContact O-N 3.26Å; G47-I50 VanDerWaalsContact O-N 3.08Å; G47-V51 PolarHBondContact O-N 3.15Å
48E93.2Very high94.6Very high87 Ų8760.4 Ų60.441%0.40730%0.303SS..Hα-helixtrans-53.6-48.9-177.4-177.1157.6-140.900114.9C44 I50 V51 K52 K66C44-E48 WeakPolarHBondContact O-CB 3.33Å; C44-E48 PolarHBondContact O-N 2.98Å; E48-I50 VanDerWaalsContact C-N 3.28Å; E48-I50 PolarHBondContact O-N 2.98Å; E48-V51 PolarHBondContact O-N 3.29Å; E48-K52 VanDerWaalsContact O-CB 3.3Å; E48-K52 WeakPolarHBondContact O-CB 3.36Å; E48-K52 PolarHBondContact O-N 2.93Å; E48-K66 IonicContact OE1-NZ 3.02Å; E48-K66 PolarHBondContact OE1-NZ 2.95Å
49P95.4Very high95.1Very high75 Ų7559 Ų5949%0.48730%0.295SS..Hα-helixtrans-63.7-33.6176.924-34000112.9V45 K46 E53V45-P49 VanDerWaalsContact O-CD 3.24Å; V45-P49 WeakPolarHBondContact O-CD 3.23Å; K46-P49 WeakPolarHBondContact O-CD 3.46Å; K46-P49 WeakPolarHBondContact O-CG 3.43Å; P49-E53 PolarHBondContact O-N 3.2Å
50I97.5Very high95.3Very high43 Ų4367.8 Ų67.822%0.22134%0.335CS..Hα-helixtrans-68-48.4179.4-55.6-58.6000110.6G47 E48 K52 E53 A54 L113 V116G47-I50 WeakPolarHBondContact O-CB 3.41Å; G47-I50 PolarHBondContact O-N 3.26Å; G47-I50 VanDerWaalsContact O-N 3.08Å; E48-I50 VanDerWaalsContact C-N 3.28Å; E48-I50 PolarHBondContact O-N 2.98Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 2.88Å; I50-E53 PolarHBondContact O-N 3.06Å; I50-A54 PolarHBondContact O-N 3.28Å; I50-L113 HydrophobicContact CG2-CB 3.95Å; I50-L113 HydrophobicContact CG2-CD1 4.19Å; I50-V116 HydrophobicContact CG2-CG2 4.24Å
51V96.4Very high95.2Very high3 Ų370.3 Ų70.32%0.01835%0.352CS..Hα-helixtrans-64.3-40.9177.3-179.90000110.6L28 G47 E48 E53 A54 L55 F64 V110L28-V51 HydrophobicContact CD1-CG2 4.18Å; L28-V51 HydrophobicContact CD2-CB 4.44Å; L28-V51 HydrophobicContact CD2-CG1 4.15Å; L28-V51 HydrophobicContact CD2-CG2 4.41Å; G47-V51 PolarHBondContact O-N 3.15Å; E48-V51 PolarHBondContact O-N 3.29Å; V51-E53 VanDerWaalsContact C-N 3.28Å; V51-E53 PolarHBondContact O-N 3.11Å; V51-A54 PolarHBondContact O-N 2.66Å; V51-L55 HydrophobicContact CG1-CD1 4.25Å; V51-L55 HydrophobicContact CG1-CG 4.28Å; V51-L55 VanDerWaalsContact O-CG 3.23Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 2.98Å; V51-F64 HydrophobicContact CG1-CE2 3.84Å; V51-F64 HydrophobicContact CG1-CZ 3.7Å; V51-V110 HydrophobicContact CG2-CG2 3.57Å
52K95.2Very high95.2Very high156 Ų15670 Ų7068%0.67835%0.35SS*.Hα-helixtrans-60.2-38.5176.7-173178.3-179.7-179.50112.4E48 I50E48-K52 VanDerWaalsContact O-CB 3.3Å; E48-K52 WeakPolarHBondContact O-CB 3.36Å; E48-K52 PolarHBondContact O-N 2.93Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 2.88Å
53E96.9Very high95.2Very high82 Ų8266.2 Ų66.238%0.38333%0.325SS..Hα-helixtrans-67-51.1174.8-172.959.3-14900111.2P49 I50 V51 L55 K56 L113P49-E53 PolarHBondContact O-N 3.2Å; I50-E53 PolarHBondContact O-N 3.06Å; V51-E53 VanDerWaalsContact C-N 3.28Å; V51-E53 PolarHBondContact O-N 3.11Å; E53-L55 PolarHBondContact O-N 3.34Å; E53-K56 WeakPolarHBondContact O-CB 3.32Å; E53-K56 WeakPolarHBondContact O-CG 3.02Å; E53-K56 PolarHBondContact O-N 3.1Å; E53-K56 VanDerWaalsContact O-N 3.11Å; E53-K56 WeakPolarHBondContact OE1-CD 3.5Å; E53-K56 IonicContact OE1-NZ 2.79Å; E53-K56 PolarHBondContact OE1-NZ 2.78Å; E53-K56 WeakPolarHBondContact OE2-CE 3.27Å; E53-K56 IonicContact OE2-NZ 3.81Å; E53-K56 PolarHBondContact OE2-NZ 2.85Å; E53-L113 HydrophobicContact CB-CD1 4.1Å; E53-L113 HydrophobicContact CG-CD1 4.1Å; E53-L113 HydrophobicContact CG-CD2 4.18Å
54A96.6Very high95.3Very high0 Ų063.9 Ų63.90%031%0.312CS..Hα-helixtrans-59.7-31.6-179.600000112.9I50 V51 K56 K57 L113 V116 E117 F120I50-A54 PolarHBondContact O-N 3.28Å; V51-A54 PolarHBondContact O-N 2.66Å; A54-K56 PolarHBondContact O-N 2.99Å; A54-K57 PolarHBondContact O-N 3.49Å; A54-L113 HydrophobicContact CB-CD1 3.87Å; A54-V116 HydrophobicContact CB-CB 3.88Å; A54-V116 HydrophobicContact CB-CG1 3.36Å; A54-E117 HydrophobicContact CB-CG 3.98Å; A54-F120 HydrophobicContact CB-CD2 4.13Å; A54-F120 HydrophobicContact CB-CE2 3.7Å; A54-F120 WeakPolarHBondContact O-CD2 3.39Å
55L95.5Very high95.4Very high47 Ų4763.8 Ų63.825%0.24631%0.311CS..G310 helixtrans-60-18.5178.8-80172.2000113.9V51 E53 K57 L58 F64 F120V51-L55 HydrophobicContact CG1-CD1 4.25Å; V51-L55 HydrophobicContact CG1-CG 4.28Å; V51-L55 VanDerWaalsContact O-CG 3.23Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 2.98Å; E53-L55 PolarHBondContact O-N 3.34Å; L55-K57 PolarHBondContact O-N 2.97Å; L55-L58 HydrophobicContact CD2-CB 4.38Å; L55-L58 HydrophobicContact CD2-CD1 4.32Å; L55-L58 HydrophobicContact CD2-CD2 4.17Å; L55-L58 VanDerWaalsContact O-CB 3.25Å; L55-L58 WeakPolarHBondContact O-CB 3.41Å; L55-L58 PolarHBondContact O-N 3.48Å; L55-L58 VanDerWaalsContact O-N 3.15Å; L55-F64 HydrophobicContact CD1-CD1 3.91Å; L55-F64 HydrophobicContact CD1-CE1 3.79Å; L55-F64 HydrophobicContact CD1-CE2 4.38Å; L55-F64 HydrophobicContact CD1-CG 4.26Å; L55-F64 HydrophobicContact CD1-CZ 4.01Å; L55-F64 HydrophobicContact CD2-CB 3.74Å; L55-F64 HydrophobicContact CD2-CD1 3.95Å; L55-F64 HydrophobicContact CD2-CD2 3.47Å; L55-F64 VanDerWaalsContact CD2-CD2 3.47Å; L55-F64 HydrophobicContact CD2-CE1 4.4Å; L55-F64 HydrophobicContact CD2-CE2 3.94Å; L55-F64 HydrophobicContact CD2-CG 3.44Å; L55-F64 VanDerWaalsContact CD2-CG 3.44Å; L55-F64 HydrophobicContact CD2-CZ 4.37Å; L55-F64 HydrophobicContact CG-CD2 4.46Å; L55-F64 HydrophobicContact CG-CE2 4.49Å; L55-F64 HydrophobicContact CG-CG 4.46Å; L55-F120 HydrophobicContact CD2-CE2 4.06Å; L55-F120 HydrophobicContact CD2-CZ 3.92Å; L55-F120 HydrophobicContact CG-CE2 4.36Å; L55-F120 HydrophobicContact CG-CZ 4.47Å
56K94.6Very high95.4Very high151 Ų15162 Ų6266%0.65730%0.297SS*.G310 helixtrans-63.8-21.8171.2-63.2172.5-177.8173.10112.8E53 A54E53-K56 WeakPolarHBondContact O-CB 3.32Å; E53-K56 WeakPolarHBondContact O-CG 3.02Å; E53-K56 PolarHBondContact O-N 3.1Å; E53-K56 VanDerWaalsContact O-N 3.11Å; E53-K56 WeakPolarHBondContact OE1-CD 3.5Å; E53-K56 IonicContact OE1-NZ 2.79Å; E53-K56 PolarHBondContact OE1-NZ 2.78Å; E53-K56 WeakPolarHBondContact OE2-CE 3.27Å; E53-K56 IonicContact OE2-NZ 3.81Å; E53-K56 PolarHBondContact OE2-NZ 2.85Å; A54-K56 PolarHBondContact O-N 2.99Å
57K94.6Very high95.5Very high96 Ų9655.6 Ų55.642%0.41727%0.269SS..G310 helixtrans-101.39.5176.1-62-171.2179.2177.70113.4A54 L55 P59 E117 E121A54-K57 PolarHBondContact O-N 3.49Å; L55-K57 PolarHBondContact O-N 2.97Å; K57-P59 WeakPolarHBondContact O-CD 3.37Å; K57-E117 HydrophobicContact CD-CB 4.35Å; K57-E117 HydrophobicContact CD-CG 3.97Å; K57-E117 WeakPolarHBondContact CD-OE1 3.36Å; K57-E117 WeakPolarHBondContact CE-OE1 3.33Å; K57-E117 IonicContact NZ-OE1 3.62Å; K57-E117 PolarHBondContact NZ-OE1 3.27Å; K57-E117 VanDerWaalsContact NZ-OE1 3.1Å; K57-E117 IonicContact NZ-OE2 3.29Å; K57-E117 PolarHBondContact NZ-OE2 2.68Å; K57-E121 IonicContact NZ-OE1 2.79Å
58L95.3Very high95.6Very high33 Ų3356.2 Ų56.217%0.17327%0.272CS..  trans-59.9127.1178.1-173.372.2000109.9F26 L55 A62 F64 F120F26-L58 HydrophobicContact CD2-CD1 3.59Å; F26-L58 HydrophobicContact CE2-CD1 3.83Å; F26-L58 HydrophobicContact CG-CD1 4.49Å; L55-L58 HydrophobicContact CD2-CB 4.38Å; L55-L58 HydrophobicContact CD2-CD1 4.32Å; L55-L58 HydrophobicContact CD2-CD2 4.17Å; L55-L58 VanDerWaalsContact O-CB 3.25Å; L55-L58 WeakPolarHBondContact O-CB 3.41Å; L55-L58 PolarHBondContact O-N 3.48Å; L55-L58 VanDerWaalsContact O-N 3.15Å; L58-A62 HydrophobicContact CD1-CB 3.92Å; L58-A62 HydrophobicContact CG-CB 4.05Å; L58-F64 HydrophobicContact CD2-CB 3.87Å; L58-F120 HydrophobicContact CD1-CD1 4.1Å; L58-F120 HydrophobicContact CD1-CE1 4.16Å; L58-F120 HydrophobicContact CD1-CG 4.3Å; L58-F120 HydrophobicContact CD1-CZ 4.4Å
59P93.9Very high95.8Very high40 Ų4052.2 Ų52.226%0.2625%0.254SS..  trans-59.5150.3-180-24.632.4000112.9K57 N61 A62 F120K57-P59 WeakPolarHBondContact O-CD 3.37Å; P59-N61 VanDerWaalsContact C-N 3.29Å; P59-N61 PolarHBondContact O-N 3.31Å; P59-A62 HydrophobicContact CB-CB 4.1Å; P59-A62 HydrophobicContact CG-CB 4.35Å; P59-A62 WeakPolarHBondContact O-CB 3.41Å; P59-A62 PolarHBondContact O-N 3.4Å; P59-F120 WeakPolarHBondContact CG-O 3.32Å
60E92.3Very high95.8Very high204 Ų20449.3 Ų49.395%0.95324%0.238SC*.THydrogen-bonded Turntrans-59.3-39.7180-66.5-173163.200112.6A62E60-A62 PolarHBondContact O-N 3.28Å
61N92.5Very high95.8Very high95 Ų9551 Ų5151%0.50825%0.247SC..THydrogen-bonded Turntrans-86.932175.5-165.436000113.2R24 P59R24-N61 PolarHBondContact N-O 3.34Å; P59-N61 VanDerWaalsContact C-N 3.29Å; P59-N61 PolarHBondContact O-N 3.31Å
62A96Very high95.8Very high1 Ų156.5 Ų56.51%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-123.8154.9173.800000112.3M1 R24 F26 L58 P59 E60M1-A62 PolarHBondContact N-O 3.15Å; R24-A62 HydrophobicContact CB-CB 4Å; R24-A62 CarbonylContact O-C 3.59Å; R24-A62 VanDerWaalsContact O-CA 3.22Å; R24-A62 WeakPolarHBondContact O-CA 3.39Å; F26-A62 HydrophobicContact CD2-CB 4.04Å; F26-A62 HydrophobicContact CE2-CB 3.67Å; L58-A62 HydrophobicContact CD1-CB 3.92Å; L58-A62 HydrophobicContact CG-CB 4.05Å; P59-A62 HydrophobicContact CB-CB 4.1Å; P59-A62 HydrophobicContact CG-CB 4.35Å; P59-A62 WeakPolarHBondContact O-CB 3.41Å; P59-A62 PolarHBondContact O-N 3.4Å; E60-A62 PolarHBondContact O-N 3.28Å
63V96.1Very high95.9Very high1 Ų154.2 Ų54.21%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-123.5146.9169.2-62.50000110.6M1 H20 K23 R24 I25 F26M1-V63 WeakPolarHBondContact O-CA 3.27Å; M1-V63 WeakPolarHBondContact O-CB 3.47Å; H20-V63 HydrophobicContact CB-CG2 3.77Å; H20-V63 WeakPolarHBondContact CD2-CG1 3.38Å; K23-V63 HydrophobicContact CD-CG1 3.99Å; R24-V63 PolarHBondContact O-N 3.3Å; I25-V63 HydrophobicContact CB-CG2 4.04Å; I25-V63 HydrophobicContact CG1-CG2 3.74Å; I25-V63 HydrophobicContact CG2-CG2 3.94Å; F26-V63 PolarHBondContact N-O 2.9Å
64F97.2Very high95.9Very high13 Ų1353.7 Ų53.76%0.05727%0.269CS..EExtended strand (participates in β ladder)trans-117.9126.5176.8179.8-95.6000109.4M1 V3 F26 L28 V51 L55 L58 K66 L96 F120M1-F64 PolarHBondContact O-N 3.33Å; V3-F64 PolarHBondContact N-O 3.13Å; F26-F64 HydrophobicContact CB-CD2 4.07Å; F26-F64 WeakPolarHBondContact O-CA 3.11Å; L28-F64 HydrophobicContact CB-CE1 4.44Å; L28-F64 HydrophobicContact CB-CE2 3.85Å; L28-F64 HydrophobicContact CB-CZ 3.48Å; L28-F64 VanDerWaalsContact CB-CZ 3.48Å; L28-F64 HydrophobicContact CD2-CZ 3.99Å; L28-F64 HydrophobicContact CG-CZ 4.36Å; V51-F64 HydrophobicContact CG1-CE2 3.84Å; V51-F64 HydrophobicContact CG1-CZ 3.7Å; L55-F64 HydrophobicContact CD1-CD1 3.91Å; L55-F64 HydrophobicContact CD1-CE1 3.79Å; L55-F64 HydrophobicContact CD1-CE2 4.38Å; L55-F64 HydrophobicContact CD1-CG 4.26Å; L55-F64 HydrophobicContact CD1-CZ 4.01Å; L55-F64 HydrophobicContact CD2-CB 3.74Å; L55-F64 HydrophobicContact CD2-CD1 3.95Å; L55-F64 HydrophobicContact CD2-CD2 3.47Å; L55-F64 VanDerWaalsContact CD2-CD2 3.47Å; L55-F64 HydrophobicContact CD2-CE1 4.4Å; L55-F64 HydrophobicContact CD2-CE2 3.94Å; L55-F64 HydrophobicContact CD2-CG 3.44Å; L55-F64 VanDerWaalsContact CD2-CG 3.44Å; L55-F64 HydrophobicContact CD2-CZ 4.37Å; L55-F64 HydrophobicContact CG-CD2 4.46Å; L55-F64 HydrophobicContact CG-CE2 4.49Å; L55-F64 HydrophobicContact CG-CG 4.46Å; L58-F64 HydrophobicContact CD2-CB 3.87Å; F64-K66 HydrophobicContact CE1-CB 4.38Å; F64-L96 HydrophobicContact CE2-CD1 3.89Å; F64-F120 HydrophobicContact CD2-CZ 4.49Å
65L97.3Very high95.9Very high0 Ų054.4 Ų54.40%027%0.272CS..EExtended strand (participates in β ladder)trans-115.5135.9178.2-54.3-177.6000109.1V3 I7 L13 E16 V17 I25 F26 I27 L28V3-L65 HydrophobicContact CB-CD2 3.92Å; V3-L65 HydrophobicContact CG2-CD2 3.32Å; I7-L65 HydrophobicContact CD1-CB 4.12Å; I7-L65 HydrophobicContact CD1-CD1 4.09Å; I7-L65 HydrophobicContact CD1-CD2 4.32Å; I7-L65 HydrophobicContact CD1-CG 4.41Å; L13-L65 HydrophobicContact CD1-CD1 4.1Å; E16-L65 HydrophobicContact CB-CD1 3.97Å; E16-L65 HydrophobicContact CB-CD2 4.46Å; V17-L65 HydrophobicContact CG1-CD1 4.18Å; I25-L65 HydrophobicContact CG2-CD1 3.8Å; I25-L65 HydrophobicContact CG2-CG 4.21Å; F26-L65 PolarHBondContact O-N 2.86Å; I27-L65 WeakPolarHBondContact CA-O 3.38Å; I27-L65 HydrophobicContact CG1-CB 4.34Å; I27-L65 HydrophobicContact CG1-CD1 4.34Å; I27-L65 HydrophobicContact CG2-CB 4.37Å; L28-L65 PolarHBondContact N-O 3.18Å
66K96.7Very high96Very high39 Ų3960 Ų6017%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-106.9128170.6-173.1173.7-179.7178.20108.5P6 I7 L28 C30 E48 F64P6-K66 WeakPolarHBondContact CA-O 3.17Å; I7-K66 PolarHBondContact N-O 3.49Å; L28-K66 CarbonylContact O-C 3.57Å; L28-K66 WeakPolarHBondContact O-CA 3.46Å; C30-K66 WeakPolarHBondContact SG-CE 3.46Å; E48-K66 IonicContact OE1-NZ 3.02Å; E48-K66 PolarHBondContact OE1-NZ 2.95Å; F64-K66 HydrophobicContact CE1-CB 4.38Å
67V97.8Very high96.1Very high0 Ų056.3 Ų56.30%028%0.277CS..EExtended strand (participates in β ladder)trans-114.6125.8178.9177.50000109.2I7 L13 I27 L28 F29 C30 V69 F82I7-V67 HydrophobicContact CB-CG2 4.2Å; I7-V67 HydrophobicContact CG2-CG2 4.46Å; I7-V67 CarbonylContact O-C 3.52Å; I7-V67 WeakPolarHBondContact O-CA 3.49Å; L13-V67 HydrophobicContact CD1-CG2 3.72Å; L13-V67 HydrophobicContact CD2-CG2 3.89Å; L13-V67 HydrophobicContact CG-CG2 4.35Å; I27-V67 HydrophobicContact CG2-CB 4.44Å; I27-V67 HydrophobicContact CG2-CG2 3.51Å; L28-V67 PolarHBondContact O-N 3.29Å; F29-V67 HydrophobicContact CD1-CB 3.69Å; F29-V67 HydrophobicContact CD1-CG1 3.61Å; F29-V67 HydrophobicContact CD1-CG2 4.26Å; F29-V67 HydrophobicContact CE1-CB 3.92Å; F29-V67 HydrophobicContact CE1-CG1 3.76Å; F29-V67 HydrophobicContact CE1-CG2 4.01Å; F29-V67 HydrophobicContact CG-CB 4.3Å; F29-V67 HydrophobicContact CZ-CG2 4.41Å; C30-V67 PolarHBondContact N-O 2.76Å; V67-V69 HydrophobicContact CG1-CG1 4.46Å; V67-F82 HydrophobicContact CG1-CD1 4.03Å; V67-F82 HydrophobicContact CG1-CE1 3.56Å; V67-F82 HydrophobicContact CG1-CE2 4.09Å; V67-F82 HydrophobicContact CG1-CG 4.47Å; V67-F82 HydrophobicContact CG1-CZ 3.58Å
68E96.8Very high96.2Very high14 Ų1456.2 Ų56.27%0.06529%0.287CS..EExtended strand (participates in β ladder)trans-94.7110.3173.8-76.3-177.8-172.700109.7P6 I7 K8 C30 T32 P33 G70P6-E68 HydrophobicContact CB-CG 3.74Å; P6-E68 WeakPolarHBondContact CB-OE1 3.25Å; P6-E68 WeakPolarHBondContact CG-OE1 3.44Å; I7-E68 PolarHBondContact O-N 3.1Å; K8-E68 WeakPolarHBondContact CE-OE2 3.37Å; K8-E68 HydrophobicContact CG-CB 4.33Å; K8-E68 IonicContact NZ-OE2 3.68Å; C30-E68 WeakPolarHBondContact O-CA 3.48Å; T32-E68 VanDerWaalsContact CG2-OE2 3.26Å; T32-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T32-E68 WeakPolarHBondContact OG1-CB 3.34Å; P33-E68 VanDerWaalsContact CD-OE1 3.3Å; P33-E68 WeakPolarHBondContact CD-OE1 3.29Å; E68-G70 PolarHBondContact O-N 2.62Å
69V97.3Very high96.3Very high3 Ų360.3 Ų60.32%0.01831%0.309CS..  trans-80.11.7-170.5-56.80000114.8F29 C30 V67 W75 N80 F82 I93F29-V69 HydrophobicContact CB-CG1 4.01Å; F29-V69 HydrophobicContact CD1-CG1 3.98Å; C30-V69 WeakPolarHBondContact O-CG2 3.4Å; C30-V69 PolarHBondContact O-N 3.1Å; V67-V69 HydrophobicContact CG1-CG1 4.46Å; V69-W75 HydrophobicContact CB-CD2 4.46Å; V69-W75 HydrophobicContact CB-CE3 3.71Å; V69-W75 HydrophobicContact CB-CZ3 4.15Å; V69-W75 HydrophobicContact CG1-CE3 4.26Å; V69-W75 HydrophobicContact CG1-CZ3 4.22Å; V69-W75 HydrophobicContact CG2-CB 4.05Å; V69-W75 HydrophobicContact CG2-CD2 3.73Å; V69-W75 HydrophobicContact CG2-CE3 3.48Å; V69-W75 VanDerWaalsContact CG2-CE3 3.48Å; V69-W75 HydrophobicContact CG2-CG 3.98Å; V69-W75 HydrophobicContact CG2-CZ3 4.22Å; V69-N80 PolarHBondContact O-ND2 3Å; V69-F82 HydrophobicContact CB-CD2 3.87Å; V69-F82 HydrophobicContact CB-CE2 4.38Å; V69-F82 HydrophobicContact CG1-CB 4.37Å; V69-F82 HydrophobicContact CG1-CD2 3.87Å; V69-F82 HydrophobicContact CG1-CE2 4.48Å; V69-F82 HydrophobicContact CG1-CG 4.26Å; V69-I93 HydrophobicContact CG1-CG2 4.24Å; V69-I93 HydrophobicContact CG2-CD1 3.94Å; V69-I93 HydrophobicContact CG2-CG2 4.07Å
70G96.6Very high96.5Very high15 Ų1559 Ų5916%0.15530%0.299CS..  trans107-175.9-173.100000113.3T32 W40 E68T32-G70 WeakPolarHBondContact CB-O 3.43Å; T32-G70 PolarHBondContact N-O 2.81Å; T32-G70 VanDerWaalsContact OG1-C 3.26Å; T32-G70 WeakPolarHBondContact OG1-CA 3.24Å; T32-G70 PolarHBondContact OG1-N 2.88Å; T32-G70 VanDerWaalsContact OG1-N 3.08Å; T32-G70 PolarHBondContact OG1-O 2.88Å; W40-G70 VanDerWaalsContact CZ2-O 3.31Å; W40-G70 WeakPolarHBondContact CZ2-O 3.3Å; W40-G70 PolarHBondContact NE1-O 2.84Å; E68-G70 PolarHBondContact O-N 2.62Å
71D96.7Very high96.7Very high78 Ų7851.8 Ų51.842%0.41727%0.269SS..SBendtrans-72.3177.9172.171.510.4000112.1W40 T73 T74 W75W40-D71 VanDerWaalsContact CZ2-C 3.48Å; D71-T73 PolarHBondContact O-N 3.21Å; D71-T73 PolarHBondContact OD1-N 3.45Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; D71-T74 PolarHBondContact O-N 3.33Å; D71-T74 WeakPolarHBondContact OD1-CB 3.44Å; D71-T74 PolarHBondContact OD1-N 2.91Å; D71-T74 PolarHBondContact OD1-OG1 3.46Å; D71-W75 WeakPolarHBondContact O-CB 3.23Å; D71-W75 PolarHBondContact O-N 2.97Å
72R96.4Very high97Very high118 Ų11847.5 Ų47.545%0.44525%0.246SC..Hα-helixtrans-58-37-178.7-174.3174175.1138.6-7.4113W40 R76W40-R72 HydrophobicContact CD2-CB 3.81Å; W40-R72 HydrophobicContact CE3-CB 3.54Å; W40-R72 HydrophobicContact CE3-CG 3.85Å; W40-R72 HydrophobicContact CG-CB 4.41Å; W40-R72 HydrophobicContact CH2-CB 4.31Å; W40-R72 HydrophobicContact CZ3-CB 3.82Å; W40-R72 HydrophobicContact CZ3-CG 3.89Å; R72-R76 WeakPolarHBondContact O-CB 3.43Å; R72-R76 WeakPolarHBondContact O-CG 3.44Å; R72-R76 PolarHBondContact O-N 3.08Å
73T97Very high97Very high108 Ų10850.6 Ų50.666%0.66326%0.258SS*.Hα-helixtrans-72.2-48.1-178.5-58.50000110.1D71 W75 R76 D77D71-T73 PolarHBondContact O-N 3.21Å; D71-T73 PolarHBondContact OD1-N 3.45Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; T73-W75 VanDerWaalsContact C-N 3.32Å; T73-W75 PolarHBondContact O-N 3.37Å; T73-R76 PolarHBondContact O-N 3.09Å; T73-D77 PolarHBondContact O-N 3.37Å
74T97.2Very high97.1Very high71 Ų7154.2 Ų54.244%0.43628%0.28SS..Hα-helixtrans-59.6-40.8177.3-540000111.6D71 N80D71-T74 PolarHBondContact O-N 3.33Å; D71-T74 WeakPolarHBondContact OD1-CB 3.44Å; D71-T74 PolarHBondContact OD1-N 2.91Å; D71-T74 PolarHBondContact OD1-OG1 3.46Å; T74-N80 PolarHBondContact O-ND2 3.46Å
75W97.4Very high97.1Very high16 Ų1655.2 Ų55.26%0.06129%0.285CS..Hα-helixtrans-72.1-32.3177.9175.5-117.9000113.8W40 V69 D71 T73 D77 R83 I90 I93W40-W75 HydrophobicContact CH2-CB 3.75Å; W40-W75 AromaticContact CH2-CD1 3.78Å; W40-W75 AromaticContact CH2-CG 3.98Å; W40-W75 HydrophobicContact CH2-CG 3.98Å; W40-W75 HydrophobicContact CZ2-CB 4.15Å; V69-W75 HydrophobicContact CB-CD2 4.46Å; V69-W75 HydrophobicContact CB-CE3 3.71Å; V69-W75 HydrophobicContact CB-CZ3 4.15Å; V69-W75 HydrophobicContact CG1-CE3 4.26Å; V69-W75 HydrophobicContact CG1-CZ3 4.22Å; V69-W75 HydrophobicContact CG2-CB 4.05Å; V69-W75 HydrophobicContact CG2-CD2 3.73Å; V69-W75 HydrophobicContact CG2-CE3 3.48Å; V69-W75 VanDerWaalsContact CG2-CE3 3.48Å; V69-W75 HydrophobicContact CG2-CG 3.98Å; V69-W75 HydrophobicContact CG2-CZ3 4.22Å; D71-W75 WeakPolarHBondContact O-CB 3.23Å; D71-W75 PolarHBondContact O-N 2.97Å; T73-W75 VanDerWaalsContact C-N 3.32Å; T73-W75 PolarHBondContact O-N 3.37Å; W75-D77 VanDerWaalsContact C-N 3.28Å; W75-R83 HydrophobicContact CE3-CG 4.27Å; W75-R83 HydrophobicContact CH2-CG 3.65Å; W75-R83 HydrophobicContact CZ3-CG 3.51Å; W75-R83 PolarHBondContact O-NE 3.21Å; W75-R83 PolarHBondContact O-NH2 2.95Å; W75-I90 HydrophobicContact CH2-CB 4.14Å; W75-I90 HydrophobicContact CH2-CG2 3.78Å; W75-I93 HydrophobicContact CD2-CD1 4.13Å; W75-I93 HydrophobicContact CD2-CG1 4.47Å; W75-I93 HydrophobicContact CD2-CG2 4.26Å; W75-I93 HydrophobicContact CE3-CG2 4.5Å; W75-I93 HydrophobicContact CG-CD1 3.88Å; W75-I93 HydrophobicContact CH2-CG2 3.94Å; W75-I93 HydrophobicContact CZ2-CB 4.38Å; W75-I93 HydrophobicContact CZ2-CG1 4.35Å; W75-I93 HydrophobicContact CZ2-CG2 3.65Å; W75-I93 HydrophobicContact CZ3-CG2 4.35Å
76R96.2Very high97Very high163 Ų16359.4 Ų59.462%0.61531%0.312SS*.Hα-helixtrans-74.6-19.2179.8-81.5178.4169.1-152.6-12.8113.2R72 T73 P78R72-R76 WeakPolarHBondContact O-CB 3.43Å; R72-R76 WeakPolarHBondContact O-CG 3.44Å; R72-R76 PolarHBondContact O-N 3.08Å; T73-R76 PolarHBondContact O-N 3.09Å; R76-P78 WeakPolarHBondContact O-CD 3.31Å
77D97.7Very high97Very high74 Ų7462.9 Ų62.940%0.39633%0.327SS..SBendtrans-61.8120.9172.1-170.4-20.5000109.8T73 W75 N79 N80 R83T73-D77 PolarHBondContact O-N 3.37Å; W75-D77 VanDerWaalsContact C-N 3.28Å; D77-N79 PolarHBondContact O-N 3Å; D77-N79 VanDerWaalsContact O-N 3.12Å; D77-N79 VanDerWaalsContact OD1-CB 3.31Å; D77-N79 WeakPolarHBondContact OD1-CB 3.46Å; D77-N79 PolarHBondContact OD1-N 3.33Å; D77-N79 PolarHBondContact OD1-ND2 3.15Å; D77-N79 VanDerWaalsContact OD1-ND2 3.12Å; D77-N80 VanDerWaalsContact O-CB 3.29Å; D77-N80 WeakPolarHBondContact O-CB 3.32Å; D77-N80 PolarHBondContact O-N 3.42Å; D77-R83 WeakPolarHBondContact O-CD 3.37Å
78P96Very high97Very high95 Ų9562.9 Ų62.962%0.61733%0.327SS*.THydrogen-bonded Turntrans-59.4-20.6175.425.5-35.2000113.1R76 N80 T84R76-P78 WeakPolarHBondContact O-CD 3.31Å; P78-N80 VanDerWaalsContact C-N 3.35Å; P78-T84 VanDerWaalsContact O-CG2 3.32Å; P78-T84 WeakPolarHBondContact O-CG2 3.32Å
79N97.1Very high97Very high119 Ų11970.2 Ų70.264%0.63635%0.354SS*.THydrogen-bonded Turntrans-87.61.6177.2-56.6-63.3000113.9D77 V81D77-N79 PolarHBondContact O-N 3Å; D77-N79 VanDerWaalsContact O-N 3.12Å; D77-N79 VanDerWaalsContact OD1-CB 3.31Å; D77-N79 WeakPolarHBondContact OD1-CB 3.46Å; D77-N79 PolarHBondContact OD1-N 3.33Å; D77-N79 PolarHBondContact OD1-ND2 3.15Å; D77-N79 VanDerWaalsContact OD1-ND2 3.12Å; N79-V81 PolarHBondContact O-N 3.23Å
80N97.7Very high97Very high11 Ų1170.3 Ų70.36%0.05935%0.354CS..  trans-48.6129.4175.2-178.7-68.7000110.2V69 T74 D77 P78 F82 R83 T84V69-N80 PolarHBondContact O-ND2 3Å; T74-N80 PolarHBondContact O-ND2 3.46Å; D77-N80 VanDerWaalsContact O-CB 3.29Å; D77-N80 WeakPolarHBondContact O-CB 3.32Å; D77-N80 PolarHBondContact O-N 3.42Å; P78-N80 VanDerWaalsContact C-N 3.35Å; N80-F82 PolarHBondContact O-N 2.89Å; N80-F82 VanDerWaalsContact O-N 3.1Å; N80-F82 WeakPolarHBondContact OD1-CD2 3.47Å; N80-F82 PolarHBondContact OD1-N 3.29Å; N80-R83 HydrophobicContact CB-CB 4.47Å; N80-R83 HydrophobicContact CB-CG 4Å; N80-R83 WeakPolarHBondContact O-CA 3.42Å; N80-R83 VanDerWaalsContact O-CB 3.31Å; N80-R83 WeakPolarHBondContact O-CB 3.45Å; N80-R83 PolarHBondContact O-N 3.1Å; N80-T84 PolarHBondContact O-N 2.9Å; N80-T84 VanDerWaalsContact O-N 3.15Å; N80-T84 PolarHBondContact O-OG1 3.35Å
81V97.5Very high97Very high54 Ų5474 Ų7433%0.32738%0.377SS..Hα-helixtrans-57.4-33.8-170.268.80000112.8I10 N79 R83 T84 H85I10-V81 HydrophobicContact CB-CG1 4.2Å; I10-V81 HydrophobicContact CB-CG2 3.75Å; I10-V81 HydrophobicContact CD1-CG2 4.3Å; I10-V81 HydrophobicContact CG1-CG2 3.9Å; I10-V81 HydrophobicContact CG2-CG2 3.89Å; N79-V81 PolarHBondContact O-N 3.23Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 2.87Å; V81-T84 PolarHBondContact O-N 3.46Å; V81-H85 WeakPolarHBondContact O-CA 3.5Å; V81-H85 WeakPolarHBondContact O-CB 3.42Å; V81-H85 PolarHBondContact O-N 2.88Å
82F97.8Very high97Very high5 Ų571.4 Ų71.42%0.02237%0.365CS..Hα-helixtrans-74.2-24.6179.1-55.5-68.2000112.6I10 L13 F29 V67 V69 N80 R89 I90I10-F82 HydrophobicContact CD1-CD1 4Å; I10-F82 HydrophobicContact CD1-CE1 4.02Å; L13-F82 HydrophobicContact CD2-CD1 4.37Å; L13-F82 HydrophobicContact CD2-CE1 4.12Å; F29-F82 HydrophobicContact CD1-CB 4.28Å; F29-F82 HydrophobicContact CD1-CD1 4.27Å; F29-F82 HydrophobicContact CD1-CG 4.32Å; F29-F82 HydrophobicContact CE1-CB 4.24Å; F29-F82 AromaticContact CE1-CD1 3.75Å; F29-F82 HydrophobicContact CE1-CD1 3.75Å; F29-F82 HydrophobicContact CE1-CE1 4.43Å; F29-F82 HydrophobicContact CE1-CG 4.19Å; V67-F82 HydrophobicContact CG1-CD1 4.03Å; V67-F82 HydrophobicContact CG1-CE1 3.56Å; V67-F82 HydrophobicContact CG1-CE2 4.09Å; V67-F82 HydrophobicContact CG1-CG 4.47Å; V67-F82 HydrophobicContact CG1-CZ 3.58Å; V69-F82 HydrophobicContact CB-CD2 3.87Å; V69-F82 HydrophobicContact CB-CE2 4.38Å; V69-F82 HydrophobicContact CG1-CB 4.37Å; V69-F82 HydrophobicContact CG1-CD2 3.87Å; V69-F82 HydrophobicContact CG1-CE2 4.48Å; V69-F82 HydrophobicContact CG1-CG 4.26Å; N80-F82 PolarHBondContact O-N 2.89Å; N80-F82 VanDerWaalsContact O-N 3.1Å; N80-F82 WeakPolarHBondContact OD1-CD2 3.47Å; N80-F82 PolarHBondContact OD1-N 3.29Å; F82-R89 PolarHBondContact O-N 2.9Å; F82-I90 PolarHBondContact O-N 2.78Å
83R97.3Very high97Very high66 Ų6666.2 Ų66.225%0.24935%0.346CS..Hα-helixtrans-74.3-40.5172.2-62.8-175.8165.9-79.84.2112.2W75 D77 N80 V81 R89 I90 S91W75-R83 HydrophobicContact CE3-CG 4.27Å; W75-R83 HydrophobicContact CH2-CG 3.65Å; W75-R83 HydrophobicContact CZ3-CG 3.51Å; W75-R83 PolarHBondContact O-NE 3.21Å; W75-R83 PolarHBondContact O-NH2 2.95Å; D77-R83 WeakPolarHBondContact O-CD 3.37Å; N80-R83 HydrophobicContact CB-CB 4.47Å; N80-R83 HydrophobicContact CB-CG 4Å; N80-R83 WeakPolarHBondContact O-CA 3.42Å; N80-R83 VanDerWaalsContact O-CB 3.31Å; N80-R83 WeakPolarHBondContact O-CB 3.45Å; N80-R83 PolarHBondContact O-N 3.1Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 2.87Å; R83-R89 WeakPolarHBondContact O-CA 3.38Å; R83-I90 WeakPolarHBondContact CA-O 3.49Å; R83-I90 WeakPolarHBondContact CG-O 3.45Å; R83-S91 PolarHBondContact NH1-O 3.23Å
84T97.2Very high97.1Very high76 Ų7661.2 Ų61.247%0.46632%0.316SS..Hα-helixtrans-95.6-26.4-169.856.70000113.3P78 N80 V81P78-T84 VanDerWaalsContact O-CG2 3.32Å; P78-T84 WeakPolarHBondContact O-CG2 3.32Å; N80-T84 PolarHBondContact O-N 2.9Å; N80-T84 VanDerWaalsContact O-N 3.15Å; N80-T84 PolarHBondContact O-OG1 3.35Å; V81-T84 PolarHBondContact O-N 3.46Å
85H97.8Very high97.1Very high35 Ų3558.2 Ų58.216%0.16230%0.298CS..  trans-62.3127.4-174.6-172.1-83.1000111.3I10 V81 K87 F88 R89I10-H85 HydrophobicContact CD1-CB 4.02Å; V81-H85 WeakPolarHBondContact O-CA 3.5Å; V81-H85 WeakPolarHBondContact O-CB 3.42Å; V81-H85 PolarHBondContact O-N 2.88Å; H85-K87 PolarHBondContact ND1-N 2.83Å; H85-K87 PolarHBondContact O-N 2.86Å; H85-K87 VanDerWaalsContact O-N 3.1Å; H85-F88 HydrophobicContact CB-CD2 4.07Å; H85-F88 AromaticContact CE1-CE2 3.89Å; H85-F88 AromaticContact CG-CD2 3.86Å; H85-F88 AromaticContact ND1-CD2 3.32Å; H85-F88 VanDerWaalsContact ND1-CD2 3.32Å; H85-F88 WeakPolarHBondContact ND1-CD2 3.49Å; H85-F88 AromaticContact ND1-CE2 3.53Å; H85-F88 PolarHBondContact O-N 2.92Å; H85-R89 WeakPolarHBondContact O-CG 3.24Å; H85-R89 PolarHBondContact O-N 3.03Å
86P96Very high97.2Very high87 Ų8757.5 Ų57.557%0.56530%0.295SS*.THydrogen-bonded Turntrans-63.7-25.7-166.622.5-34.3000114.4
87K96.3Very high97.3Very high112 Ų11249.9 Ų49.949%0.48727%0.267SS..THydrogen-bonded Turntrans-75.6-24.7176.3-61.6-171.3-177.8-177.90114L14 H85 F99L14-K87 HydrophobicContact CD2-CD 3.91Å; H85-K87 PolarHBondContact ND1-N 2.83Å; H85-K87 PolarHBondContact O-N 2.86Å; H85-K87 VanDerWaalsContact O-N 3.1Å; K87-F99 HydrophobicContact CB-CE2 4.28Å; K87-F99 HydrophobicContact CD-CE2 4.27Å; K87-F99 HydrophobicContact CD-CZ 4.17Å
88F97.1Very high97.3Very high0 Ų047.1 Ų47.10%025%0.251CS..THydrogen-bonded Turntrans-114-55.5-169.7-54.2-67.1000112I10 L13 L14 I27 F29 H85 I90 I97 F99 R104I10-F88 HydrophobicContact CD1-CD2 3.56Å; I10-F88 HydrophobicContact CD1-CE2 3.39Å; I10-F88 HydrophobicContact CG1-CE2 4.47Å; L13-F88 HydrophobicContact CD2-CD1 4.14Å; L13-F88 HydrophobicContact CD2-CD2 4.19Å; L13-F88 HydrophobicContact CD2-CE1 3.62Å; L13-F88 HydrophobicContact CD2-CE2 3.7Å; L13-F88 HydrophobicContact CD2-CG 4.4Å; L13-F88 HydrophobicContact CD2-CZ 3.39Å; L13-F88 HydrophobicContact CG-CE1 4.09Å; L13-F88 HydrophobicContact CG-CE2 4.26Å; L13-F88 HydrophobicContact CG-CZ 3.65Å; L14-F88 HydrophobicContact CD2-CE2 4.17Å; L14-F88 HydrophobicContact CD2-CZ 4.23Å; I27-F88 HydrophobicContact CD1-CE1 3.92Å; F29-F88 HydrophobicContact CZ-CB 4.19Å; F29-F88 AromaticContact CZ-CD1 3.78Å; F29-F88 HydrophobicContact CZ-CD1 3.78Å; F29-F88 HydrophobicContact CZ-CE1 4.46Å; F29-F88 HydrophobicContact CZ-CG 4.09Å; H85-F88 HydrophobicContact CB-CD2 4.07Å; H85-F88 AromaticContact CE1-CE2 3.89Å; H85-F88 AromaticContact CG-CD2 3.86Å; H85-F88 AromaticContact ND1-CD2 3.32Å; H85-F88 VanDerWaalsContact ND1-CD2 3.32Å; H85-F88 WeakPolarHBondContact ND1-CD2 3.49Å; H85-F88 AromaticContact ND1-CE2 3.53Å; H85-F88 PolarHBondContact O-N 2.92Å; F88-I90 HydrophobicContact CB-CD1 4.26Å; F88-I90 HydrophobicContact CB-CG1 4.12Å; F88-I90 PolarHBondContact O-N 2.93Å; F88-I97 HydrophobicContact CD1-CD1 4.01Å; F88-F99 HydrophobicContact CD1-CD2 4.4Å; F88-F99 HydrophobicContact CD1-CE2 4.46Å; F88-F99 AromaticContact CE1-CD2 3.68Å; F88-F99 HydrophobicContact CE1-CD2 3.68Å; F88-F99 AromaticContact CE1-CE2 3.59Å; F88-F99 HydrophobicContact CE1-CE2 3.59Å; F88-F99 HydrophobicContact CZ-CD2 4.46Å; F88-F99 AromaticContact CZ-CE2 3.96Å; F88-F99 HydrophobicContact CZ-CE2 3.96Å; F88-R104 PolarHBondContact O-NH1 3.01Å; F88-R104 PolarHBondContact O-NH2 3.45Å
89R96.5Very high97.3Very high169 Ų16943.6 Ų43.664%0.63823%0.226SC*.  trans48.652.4177.1-61.4-177.2176.5165.40.5113.8F82 R83 H85 S91F82-R89 PolarHBondContact O-N 2.9Å; R83-R89 WeakPolarHBondContact O-CA 3.38Å; H85-R89 WeakPolarHBondContact O-CG 3.24Å; H85-R89 PolarHBondContact O-N 3.03Å; R89-S91 PolarHBondContact O-N 2.87Å
90I97.7Very high97.2Very high5 Ų544.6 Ų44.63%0.02623%0.232CC..  trans-77.1123.3-175.3-52.8-57.1000110.3F29 W75 F82 R83 F88 S92 I97F29-I90 HydrophobicContact CB-CG2 4.24Å; F29-I90 HydrophobicContact CD1-CD1 4.48Å; F29-I90 HydrophobicContact CD1-CG1 3.87Å; F29-I90 HydrophobicContact CD2-CD1 3.56Å; F29-I90 HydrophobicContact CD2-CG1 3.85Å; F29-I90 HydrophobicContact CE1-CD1 4.43Å; F29-I90 HydrophobicContact CE1-CG1 3.93Å; F29-I90 HydrophobicContact CE2-CD1 3.5Å; F29-I90 HydrophobicContact CE2-CG1 3.92Å; F29-I90 HydrophobicContact CG-CD1 4.08Å; F29-I90 HydrophobicContact CG-CG1 3.83Å; F29-I90 HydrophobicContact CG-CG2 4.37Å; F29-I90 HydrophobicContact CZ-CD1 3.96Å; F29-I90 HydrophobicContact CZ-CG1 3.95Å; W75-I90 HydrophobicContact CH2-CB 4.14Å; W75-I90 HydrophobicContact CH2-CG2 3.78Å; F82-I90 PolarHBondContact O-N 2.78Å; R83-I90 WeakPolarHBondContact CA-O 3.49Å; R83-I90 WeakPolarHBondContact CG-O 3.45Å; F88-I90 HydrophobicContact CB-CD1 4.26Å; F88-I90 HydrophobicContact CB-CG1 4.12Å; F88-I90 PolarHBondContact O-N 2.93Å; I90-S92 WeakPolarHBondContact CG2-O 3.44Å; I90-I97 HydrophobicContact CD1-CD1 4.37Å; I90-I97 HydrophobicContact CD1-CG2 4.03Å
91S95.9Very high97.1Very high91 Ų9146.5 Ų46.564%0.63624%0.244SC*.  trans-94.9-31.1-176.351.60000113.9R83 R89R83-S91 PolarHBondContact NH1-O 3.23Å; R89-S91 PolarHBondContact O-N 2.87Å
92S97Very high97Very high24 Ų2452.1 Ų52.117%0.16827%0.268CS..SBendtrans-140.5168.5178.757.50000111.3I90 S95 D107I90-S92 WeakPolarHBondContact CG2-O 3.44Å; S92-S95 WeakPolarHBondContact O-CB 3.24Å; S92-S95 PolarHBondContact O-OG 3.47Å; S92-D107 WeakPolarHBondContact CB-OD1 3.43Å; S92-D107 PolarHBondContact OG-OD1 3.49Å
93I97.6Very high96.9Very high9 Ų955.2 Ų55.25%0.04628%0.282CS..SBendtrans-132149.3169.258.4176.3000108.9F29 W40 C41 V69 W75F29-I93 HydrophobicContact CB-CG2 4.31Å; W40-I93 HydrophobicContact CH2-CD1 3.44Å; W40-I93 VanDerWaalsContact CH2-CD1 3.44Å; W40-I93 HydrophobicContact CZ2-CD1 3.98Å; W40-I93 HydrophobicContact CZ3-CD1 4.2Å; C41-I93 HydrophobicContact CB-CD1 4.31Å; V69-I93 HydrophobicContact CG1-CG2 4.24Å; V69-I93 HydrophobicContact CG2-CD1 3.94Å; V69-I93 HydrophobicContact CG2-CG2 4.07Å; W75-I93 HydrophobicContact CD2-CD1 4.13Å; W75-I93 HydrophobicContact CD2-CG1 4.47Å; W75-I93 HydrophobicContact CD2-CG2 4.26Å; W75-I93 HydrophobicContact CE3-CG2 4.5Å; W75-I93 HydrophobicContact CG-CD1 3.88Å; W75-I93 HydrophobicContact CH2-CG2 3.94Å; W75-I93 HydrophobicContact CZ2-CB 4.38Å; W75-I93 HydrophobicContact CZ2-CG1 4.35Å; W75-I93 HydrophobicContact CZ2-CG2 3.65Å; W75-I93 HydrophobicContact CZ3-CG2 4.35Å
94P97.9Very high96.9Very high4 Ų456.9 Ų56.93%0.02629%0.288CS..SBendcis-64.3152.6-9.125.9-30.2000111.2L28 F29 D43 S106 D107 V110L28-P94 HydrophobicContact CD1-CB 4.25Å; F29-P94 VanDerWaalsContact O-CA 3.24Å; F29-P94 WeakPolarHBondContact O-CA 3.34Å; D43-P94 WeakPolarHBondContact O-CG 3.47Å; P94-S106 CarbonylContact O-C 3.58Å; P94-D107 VanDerWaalsContact O-CA 3.24Å; P94-D107 WeakPolarHBondContact O-CA 3.42Å; P94-D107 PolarHBondContact O-N 3.4Å; P94-D107 VanDerWaalsContact O-N 3.09Å; P94-V110 HydrophobicContact CB-CG1 3.95Å; P94-V110 HydrophobicContact CG-CG1 3.51Å
95S98.1Very high96.9Very high8 Ų854.2 Ų54.26%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-143.1132.7172.3-81.50000109.6L28 F29 S92 L105L28-S95 CarbonylContact C-O 3.59Å; L28-S95 WeakPolarHBondContact CA-O 3.38Å; F29-S95 PolarHBondContact N-O 3.32Å; F29-S95 PolarHBondContact O-N 3.23Å; S92-S95 WeakPolarHBondContact O-CB 3.24Å; S92-S95 PolarHBondContact O-OG 3.47Å; S95-L105 VanDerWaalsContact CA-O 3.29Å; S95-L105 WeakPolarHBondContact CA-O 3.46Å
96L98.3Very high96.9Very high0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-108.9128.2176.3-177.363.6000108.5F26 I27 L28 F64 R104 L105 V110 V116 M119 F120F26-L96 HydrophobicContact CB-CD1 4.33Å; I27-L96 WeakPolarHBondContact O-CA 3.24Å; L28-L96 HydrophobicContact CB-CD1 4.12Å; L28-L96 HydrophobicContact CD1-CB 4.38Å; F64-L96 HydrophobicContact CE2-CD1 3.89Å; L96-R104 CarbonylContact O-C 3.51Å; L96-R104 WeakPolarHBondContact O-CA 3.34Å; L96-L105 HydrophobicContact CB-CB 4.4Å; L96-L105 HydrophobicContact CD2-CD1 4.42Å; L96-L105 PolarHBondContact N-O 2.91Å; L96-L105 PolarHBondContact O-N 3.26Å; L96-V110 HydrophobicContact CB-CG2 3.97Å; L96-V116 HydrophobicContact CD2-CG1 3.7Å; L96-M119 HydrophobicContact CB-SD 4.23Å; L96-M119 HydrophobicContact CD2-SD 3.6Å; L96-M119 HydrophobicContact CG-CE 3.97Å; L96-M119 HydrophobicContact CG-SD 3.62Å; L96-F120 HydrophobicContact CD2-CE1 3.97Å; L96-F120 HydrophobicContact CD2-CZ 4.12Å
97I98.1Very high96.9Very high4 Ų451.9 Ų51.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-125.7152.5175.874.6173.4000110F26 I27 F29 F88 I90 R104 M119F26-I97 CarbonylContact C-O 3.55Å; F26-I97 WeakPolarHBondContact CA-O 3.31Å; I27-I97 HydrophobicContact CB-CG1 3.97Å; I27-I97 HydrophobicContact CD1-CD1 4.38Å; I27-I97 HydrophobicContact CD1-CG1 4.47Å; I27-I97 HydrophobicContact CG1-CG1 4.49Å; I27-I97 PolarHBondContact N-O 2.79Å; I27-I97 PolarHBondContact O-N 3.44Å; F29-I97 HydrophobicContact CE2-CD1 3.74Å; F29-I97 HydrophobicContact CE2-CG1 3.94Å; F29-I97 HydrophobicContact CZ-CD1 4.33Å; F88-I97 HydrophobicContact CD1-CD1 4.01Å; I90-I97 HydrophobicContact CD1-CD1 4.37Å; I90-I97 HydrophobicContact CD1-CG2 4.03Å; I97-R104 HydrophobicContact CB-CG 4.29Å; I97-R104 HydrophobicContact CG2-CB 4.26Å; I97-R104 HydrophobicContact CG2-CG 3.83Å; I97-M119 VanDerWaalsContact CA-CE 3.44Å
98E97.5Very high96.9Very high15 Ų1553.9 Ų53.97%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-97.6114.9161.1-176.7176.3-162.600107.2R24 I25 F26 T101 K103 M119R24-E98 IonicContact CZ-OE1 3.1Å; R24-E98 IonicContact NE-OE1 2.66Å; R24-E98 PolarHBondContact NE-OE1 3.27Å; R24-E98 IonicContact NH2-OE1 2.78Å; R24-E98 PolarHBondContact NH2-OE1 3.1Å; R24-E98 IonicContact NH2-OE2 2.76Å; R24-E98 PolarHBondContact NH2-OE2 3.31Å; I25-E98 CarbonylContact O-C 3.6Å; I25-E98 WeakPolarHBondContact O-CA 3.41Å; F26-E98 HydrophobicContact CD1-CB 3.89Å; F26-E98 HydrophobicContact CD1-CG 4.13Å; F26-E98 HydrophobicContact CE1-CB 3.9Å; F26-E98 HydrophobicContact CE1-CG 3.91Å; E98-T101 HydrophobicContact CB-CG2 4.24Å; E98-T101 WeakPolarHBondContact CB-OG1 3.28Å; E98-T101 HydrophobicContact CG-CG2 3.78Å; E98-T101 PolarHBondContact O-N 3.4Å; E98-T101 VanDerWaalsContact O-N 3.17Å; E98-T101 PolarHBondContact O-OG1 3.1Å; E98-K103 HydrophobicContact CB-CB 4.26Å; E98-K103 PolarHBondContact N-O 2.81Å; E98-K103 VanDerWaalsContact N-O 3.1Å; E98-K103 WeakPolarHBondContact OE2-CD 3.29Å; E98-K103 IonicContact OE2-NZ 3.47Å; E98-K103 PolarHBondContact OE2-NZ 3.12Å; E98-M119 HydrophobicContact CB-CE 3.96Å
99F97.3Very high96.9Very high21 Ų2157.4 Ų57.49%0.09228%0.283CS..THydrogen-bonded Turntrans-58.4144.5-175.4-176.4-110.8000111.4V17 I25 I27 K87 F88 T101V17-F99 HydrophobicContact CB-CD1 3.97Å; V17-F99 HydrophobicContact CB-CE1 3.69Å; V17-F99 HydrophobicContact CB-CE2 4.49Å; V17-F99 HydrophobicContact CB-CG 4.49Å; V17-F99 HydrophobicContact CB-CZ 3.98Å; V17-F99 HydrophobicContact CG1-CD1 4.09Å; V17-F99 HydrophobicContact CG1-CD2 4.18Å; V17-F99 HydrophobicContact CG1-CE1 4.14Å; V17-F99 HydrophobicContact CG1-CE2 4.24Å; V17-F99 HydrophobicContact CG1-CG 4.11Å; V17-F99 HydrophobicContact CG1-CZ 4.22Å; V17-F99 HydrophobicContact CG2-CE1 3.84Å; V17-F99 HydrophobicContact CG2-CE2 4.34Å; V17-F99 HydrophobicContact CG2-CZ 3.7Å; I25-F99 HydrophobicContact CB-CB 3.95Å; I25-F99 HydrophobicContact CD1-CD1 4.16Å; I25-F99 HydrophobicContact CG2-CB 4.16Å; I25-F99 PolarHBondContact O-N 3.15Å; I27-F99 HydrophobicContact CD1-CB 3.81Å; I27-F99 HydrophobicContact CD1-CD2 3.93Å; I27-F99 HydrophobicContact CD1-CG 4.12Å; I27-F99 HydrophobicContact CG1-CB 4.45Å; K87-F99 HydrophobicContact CB-CE2 4.28Å; K87-F99 HydrophobicContact CD-CE2 4.27Å; K87-F99 HydrophobicContact CD-CZ 4.17Å; F88-F99 HydrophobicContact CD1-CD2 4.4Å; F88-F99 HydrophobicContact CD1-CE2 4.46Å; F88-F99 AromaticContact CE1-CD2 3.68Å; F88-F99 HydrophobicContact CE1-CD2 3.68Å; F88-F99 AromaticContact CE1-CE2 3.59Å; F88-F99 HydrophobicContact CE1-CE2 3.59Å; F88-F99 HydrophobicContact CZ-CD2 4.46Å; F88-F99 AromaticContact CZ-CE2 3.96Å; F88-F99 HydrophobicContact CZ-CE2 3.96Å; F99-T101 PolarHBondContact O-N 2.96Å
100N94.7Very high97Very high140 Ų14049.3 Ų49.375%0.74925%0.252SS*.THydrogen-bonded Turntrans59.718.7-174.2-71.3-16000115.3
101T95.5Very high96.9Very high51 Ų5151.6 Ų51.631%0.31327%0.266SS..SBendtrans-126.2177.2171.981.60000111.6E98 F99 K103E98-T101 HydrophobicContact CB-CG2 4.24Å; E98-T101 WeakPolarHBondContact CB-OG1 3.28Å; E98-T101 HydrophobicContact CG-CG2 3.78Å; E98-T101 PolarHBondContact O-N 3.4Å; E98-T101 VanDerWaalsContact O-N 3.17Å; E98-T101 PolarHBondContact O-OG1 3.1Å; F99-T101 PolarHBondContact O-N 2.96Å; T101-K103 WeakPolarHBondContact OG1-CB 3.44Å; T101-K103 PolarHBondContact OG1-N 3.12Å
102M94.4Very high97Very high172 Ų17251.3 Ų51.385%0.84726%0.255SS*.SBendtrans-87.4-7.4170.3-65.8-62.4-68.700113.1R104M102-R104 PolarHBondContact O-N 3.26Å
103K96.4Very high97Very high71 Ų7153.1 Ų53.131%0.30926%0.262SS..  trans-72.8120.9-175.3-66.6-178.9-176.2170.30111E98 T101 M119 D122E98-K103 HydrophobicContact CB-CB 4.26Å; E98-K103 PolarHBondContact N-O 2.81Å; E98-K103 VanDerWaalsContact N-O 3.1Å; E98-K103 WeakPolarHBondContact OE2-CD 3.29Å; E98-K103 IonicContact OE2-NZ 3.47Å; E98-K103 PolarHBondContact OE2-NZ 3.12Å; T101-K103 WeakPolarHBondContact OG1-CB 3.44Å; T101-K103 PolarHBondContact OG1-N 3.12Å; K103-M119 HydrophobicContact CB-CE 4.29Å; K103-D122 PolarHBondContact NZ-OXT 3.21Å
104R97.7Very high97Very high101 Ų10157.5 Ų57.538%0.38129%0.286SS..EExtended strand (participates in β ladder)trans-148.1135.9-174.6-60.4170.9177.8-97.4-5.9108.4F88 L96 I97 M102F88-R104 PolarHBondContact O-NH1 3.01Å; F88-R104 PolarHBondContact O-NH2 3.45Å; L96-R104 CarbonylContact O-C 3.51Å; L96-R104 WeakPolarHBondContact O-CA 3.34Å; I97-R104 HydrophobicContact CB-CG 4.29Å; I97-R104 HydrophobicContact CG2-CB 4.26Å; I97-R104 HydrophobicContact CG2-CG 3.83Å; M102-R104 PolarHBondContact O-N 3.26Å
105L98Very high97Very high19 Ų1959.4 Ų59.410%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-116.5122.4168.3-57.4178.6000108.1S95 L96 E109 V110 L115 V116 M119S95-L105 VanDerWaalsContact CA-O 3.29Å; S95-L105 WeakPolarHBondContact CA-O 3.46Å; L96-L105 HydrophobicContact CB-CB 4.4Å; L96-L105 HydrophobicContact CD2-CD1 4.42Å; L96-L105 PolarHBondContact N-O 2.91Å; L96-L105 PolarHBondContact O-N 3.26Å; L105-E109 HydrophobicContact CB-CB 3.88Å; L105-E109 HydrophobicContact CD2-CB 3.95Å; L105-E109 HydrophobicContact CG-CB 4.44Å; L105-V110 HydrophobicContact CB-CB 4.33Å; L105-L115 HydrophobicContact CD1-CB 4.18Å; L105-L115 HydrophobicContact CD2-CB 4.16Å; L105-V116 HydrophobicContact CD1-CB 4.4Å; L105-V116 HydrophobicContact CD1-CG2 3.96Å; L105-M119 HydrophobicContact CD1-CB 4.18Å; L105-M119 HydrophobicContact CD1-SD 3.65Å; L105-M119 HydrophobicContact CG-SD 3.65Å
106S97.2Very high97Very high32 Ų3259 Ų5922%0.22429%0.293CS..  trans-74.1178.7174.563.20000112.4P94 K108 E109 V110P94-S106 CarbonylContact O-C 3.58Å; S106-K108 PolarHBondContact O-N 2.9Å; S106-K108 VanDerWaalsContact O-N 3.13Å; S106-E109 WeakPolarHBondContact CB-OE2 3.5Å; S106-E109 PolarHBondContact N-OE2 2.86Å; S106-E109 PolarHBondContact O-N 3Å; S106-E109 PolarHBondContact OG-OE2 3.22Å; S106-V110 WeakPolarHBondContact O-CB 3.2Å; S106-V110 WeakPolarHBondContact O-CG1 3.34Å; S106-V110 PolarHBondContact O-N 3.44Å
107D95.9Very high97Very high41 Ų4160.6 Ų60.622%0.21930%0.3CS..THydrogen-bonded Turntrans-53.1-30.5174.255.9-63.4000113.4S92 P94S92-D107 WeakPolarHBondContact CB-OD1 3.43Å; S92-D107 PolarHBondContact OG-OD1 3.49Å; P94-D107 VanDerWaalsContact O-CA 3.24Å; P94-D107 WeakPolarHBondContact O-CA 3.42Å; P94-D107 PolarHBondContact O-N 3.4Å; P94-D107 VanDerWaalsContact O-N 3.09Å
108K96.6Very high96.9Very high154 Ų15464.4 Ų64.467%0.6732%0.32SS*.THydrogen-bonded Turntrans-84-23.5178.7-61.2-178.4-176.9176.70113.7S106 V111 Q112S106-K108 PolarHBondContact O-N 2.9Å; S106-K108 VanDerWaalsContact O-N 3.13Å; K108-V111 VanDerWaalsContact O-CG2 3.29Å; K108-V111 WeakPolarHBondContact O-CG2 3.14Å; K108-Q112 PolarHBondContact O-NE2 3.4Å
109E97.7Very high96.8Very high74 Ų7464.1 Ų64.135%0.34632%0.319SS..THydrogen-bonded Turntrans-97.8-37.1-174.2-67.6160.7135.400111.1L105 S106 V111 Q112 L115L105-E109 HydrophobicContact CB-CB 3.88Å; L105-E109 HydrophobicContact CD2-CB 3.95Å; L105-E109 HydrophobicContact CG-CB 4.44Å; S106-E109 WeakPolarHBondContact CB-OE2 3.5Å; S106-E109 PolarHBondContact N-OE2 2.86Å; S106-E109 PolarHBondContact O-N 3Å; S106-E109 PolarHBondContact OG-OE2 3.22Å; E109-V111 PolarHBondContact O-N 3.19Å; E109-V111 VanDerWaalsContact O-N 3.12Å; E109-Q112 WeakPolarHBondContact O-CB 3.46Å; E109-Q112 PolarHBondContact O-N 3.25Å; E109-L115 HydrophobicContact CB-CD1 3.87Å; E109-L115 HydrophobicContact CG-CD1 4.08Å
110V97.2Very high96.7Very high0 Ų063.1 Ų63.10%031%0.314CS..THydrogen-bonded Turntrans-67.6-14.1-178.675.80000113.5L28 V51 P94 L96 L105 S106 Q112 V116L28-V110 HydrophobicContact CD1-CG2 4.31Å; V51-V110 HydrophobicContact CG2-CG2 3.57Å; P94-V110 HydrophobicContact CB-CG1 3.95Å; P94-V110 HydrophobicContact CG-CG1 3.51Å; L96-V110 HydrophobicContact CB-CG2 3.97Å; L105-V110 HydrophobicContact CB-CB 4.33Å; S106-V110 WeakPolarHBondContact O-CB 3.2Å; S106-V110 WeakPolarHBondContact O-CG1 3.34Å; S106-V110 PolarHBondContact O-N 3.44Å; V110-Q112 VanDerWaalsContact C-N 3.27Å; V110-V116 HydrophobicContact CG2-CG2 4.17Å; V110-V116 WeakPolarHBondContact O-CG2 3.31Å
111V96.5Very high96.5Very high53 Ų5361.9 Ų61.932%0.32130%0.304SS..THydrogen-bonded Turntrans-83.2-0.4171.7-63.80000113.3K46 K108 E109K46-V111 HydrophobicContact CB-CG1 4.18Å; K108-V111 VanDerWaalsContact O-CG2 3.29Å; K108-V111 WeakPolarHBondContact O-CG2 3.14Å; E109-V111 PolarHBondContact O-N 3.19Å; E109-V111 VanDerWaalsContact O-N 3.12Å
112Q97.9Very high95.2Very high84 Ų8465.3 Ų65.339%0.39332%0.321SS..  trans-107.6107.2178.8-57.4178.252.100109.4K108 E109 V110 N114 L115 V116K108-Q112 PolarHBondContact O-NE2 3.4Å; E109-Q112 WeakPolarHBondContact O-CB 3.46Å; E109-Q112 PolarHBondContact O-N 3.25Å; V110-Q112 VanDerWaalsContact C-N 3.27Å; Q112-N114 VanDerWaalsContact C-N 3.29Å; Q112-N114 WeakPolarHBondContact CB-OD1 3.26Å; Q112-N114 PolarHBondContact O-N 3.01Å; Q112-L115 HydrophobicContact CB-CB 4.28Å; Q112-L115 HydrophobicContact CB-CD1 3.97Å; Q112-L115 HydrophobicContact CB-CG 3.99Å; Q112-L115 HydrophobicContact CG-CD1 4.33Å; Q112-L115 PolarHBondContact O-N 3.08Å; Q112-V116 PolarHBondContact O-N 2.95Å
113L97.5Very high95.2Very high63 Ų6360 Ų6033%0.3329%0.294SS..Hα-helixtrans-52.7-45.4-173.3178.659.5000112.8I50 E53 A54 L115 V116 E117I50-L113 HydrophobicContact CG2-CB 3.95Å; I50-L113 HydrophobicContact CG2-CD1 4.19Å; E53-L113 HydrophobicContact CB-CD1 4.1Å; E53-L113 HydrophobicContact CG-CD1 4.1Å; E53-L113 HydrophobicContact CG-CD2 4.18Å; A54-L113 HydrophobicContact CB-CD1 3.87Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.23Å; L113-V116 PolarHBondContact O-N 3.12Å; L113-E117 HydrophobicContact CD1-CG 3.97Å; L113-E117 HydrophobicContact CG-CG 4.25Å; L113-E117 WeakPolarHBondContact O-CG 3.19Å; L113-E117 PolarHBondContact O-N 2.92Å
114N97.4Very high95.1Very high100 Ų10059.4 Ų59.454%0.53529%0.293SS..Hα-helixtrans-59.4-37.517963-36.9000113.3Q112 L118Q112-N114 VanDerWaalsContact C-N 3.29Å; Q112-N114 WeakPolarHBondContact CB-OD1 3.26Å; Q112-N114 PolarHBondContact O-N 3.01Å; N114-L118 VanDerWaalsContact O-CB 3.25Å; N114-L118 WeakPolarHBondContact O-CB 3.44Å; N114-L118 PolarHBondContact O-N 2.74Å
115L97.8Very high95Very high45 Ų4557.1 Ų57.124%0.23629%0.289CS..Hα-helixtrans-70.2-39.3177.4-64-176.4000111.3L105 E109 Q112 L113 M119L105-L115 HydrophobicContact CD1-CB 4.18Å; L105-L115 HydrophobicContact CD2-CB 4.16Å; E109-L115 HydrophobicContact CB-CD1 3.87Å; E109-L115 HydrophobicContact CG-CD1 4.08Å; Q112-L115 HydrophobicContact CB-CB 4.28Å; Q112-L115 HydrophobicContact CB-CD1 3.97Å; Q112-L115 HydrophobicContact CB-CG 3.99Å; Q112-L115 HydrophobicContact CG-CD1 4.33Å; Q112-L115 PolarHBondContact O-N 3.08Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.23Å; L115-M119 WeakPolarHBondContact O-CB 3.3Å; L115-M119 PolarHBondContact O-N 3.25Å
116V97.9Very high94.8Very high0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-67.1-41.2177.1-174.40000111I50 A54 L96 L105 V110 Q112 L113 M119 F120I50-V116 HydrophobicContact CG2-CG2 4.24Å; A54-V116 HydrophobicContact CB-CB 3.88Å; A54-V116 HydrophobicContact CB-CG1 3.36Å; L96-V116 HydrophobicContact CD2-CG1 3.7Å; L105-V116 HydrophobicContact CD1-CB 4.4Å; L105-V116 HydrophobicContact CD1-CG2 3.96Å; V110-V116 HydrophobicContact CG2-CG2 4.17Å; V110-V116 WeakPolarHBondContact O-CG2 3.31Å; Q112-V116 PolarHBondContact O-N 2.95Å; L113-V116 PolarHBondContact O-N 3.12Å; V116-M119 WeakPolarHBondContact O-CB 3.43Å; V116-M119 PolarHBondContact O-N 2.76Å; V116-F120 HydrophobicContact CG1-CE2 4Å; V116-F120 HydrophobicContact CG1-CZ 4.03Å; V116-F120 PolarHBondContact O-N 2.9Å
117E96.9Very high94.7Very high33 Ų3361 Ų6115%0.15430%0.304CS..Hα-helixtrans-66-46.4175.7-69.1-175.215100111.9A54 K57 L113 M119 F120 E121A54-E117 HydrophobicContact CB-CG 3.98Å; K57-E117 HydrophobicContact CD-CB 4.35Å; K57-E117 HydrophobicContact CD-CG 3.97Å; K57-E117 WeakPolarHBondContact CD-OE1 3.36Å; K57-E117 WeakPolarHBondContact CE-OE1 3.33Å; K57-E117 IonicContact NZ-OE1 3.62Å; K57-E117 PolarHBondContact NZ-OE1 3.27Å; K57-E117 VanDerWaalsContact NZ-OE1 3.1Å; K57-E117 IonicContact NZ-OE2 3.29Å; K57-E117 PolarHBondContact NZ-OE2 2.68Å; L113-E117 HydrophobicContact CD1-CG 3.97Å; L113-E117 HydrophobicContact CG-CG 4.25Å; L113-E117 WeakPolarHBondContact O-CG 3.19Å; L113-E117 PolarHBondContact O-N 2.92Å; E117-M119 PolarHBondContact O-N 3.12Å; E117-F120 WeakPolarHBondContact O-CA 3.2Å; E117-F120 WeakPolarHBondContact O-CB 3.38Å; E117-F120 PolarHBondContact O-N 3.26Å; E117-E121 WeakPolarHBondContact O-CG 3.47Å; E117-E121 PolarHBondContact O-N 2.64Å
118L96.5Very high94.6Very high83 Ų8362.3 Ų62.344%0.43531%0.31SS..Hα-helixtrans-56.7-39.3176-176.762.3000111.7N114 F120 E121 D122N114-L118 VanDerWaalsContact O-CB 3.25Å; N114-L118 WeakPolarHBondContact O-CB 3.44Å; N114-L118 PolarHBondContact O-N 2.74Å; L118-F120 PolarHBondContact O-N 3.33Å; L118-E121 PolarHBondContact O-N 3.2Å; L118-D122 PolarHBondContact O-N 3.12Å
119M95.7Very high94.4Very high9 Ų955.8 Ų55.84%0.04428%0.284CS..Hα-helixtrans-60.9-32.8175.2-176.7171.7-172.100112.9R24 F26 L96 I97 E98 K103 L105 L115 V116 E117R24-M119 PolarHBondContact NH2-O 2.89Å; F26-M119 HydrophobicContact CD1-CE 4.25Å; F26-M119 HydrophobicContact CD1-CG 4.35Å; F26-M119 HydrophobicContact CE1-CG 4.09Å; F26-M119 WeakPolarHBondContact CE1-O 3.46Å; L96-M119 HydrophobicContact CB-SD 4.23Å; L96-M119 HydrophobicContact CD2-SD 3.6Å; L96-M119 HydrophobicContact CG-CE 3.97Å; L96-M119 HydrophobicContact CG-SD 3.62Å; I97-M119 VanDerWaalsContact CA-CE 3.44Å; E98-M119 HydrophobicContact CB-CE 3.96Å; K103-M119 HydrophobicContact CB-CE 4.29Å; L105-M119 HydrophobicContact CD1-CB 4.18Å; L105-M119 HydrophobicContact CD1-SD 3.65Å; L105-M119 HydrophobicContact CG-SD 3.65Å; L115-M119 WeakPolarHBondContact O-CB 3.3Å; L115-M119 PolarHBondContact O-N 3.25Å; V116-M119 WeakPolarHBondContact O-CB 3.43Å; V116-M119 PolarHBondContact O-N 2.76Å; E117-M119 PolarHBondContact O-N 3.12Å
120F95.4Very high94.2Very high0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-80.9-32.7176.8-66-20.2000113.3R24 F26 A54 L55 L58 P59 F64 L96 V116 E117 L118R24-F120 PolarHBondContact NH1-O 2.94Å; F26-F120 HydrophobicContact CB-CE1 4.02Å; F26-F120 AromaticContact CD1-CD1 3.78Å; F26-F120 HydrophobicContact CD1-CD1 3.78Å; F26-F120 AromaticContact CD1-CE1 3.84Å; F26-F120 HydrophobicContact CD1-CE1 3.84Å; F26-F120 HydrophobicContact CD2-CD1 4.04Å; F26-F120 HydrophobicContact CD2-CE1 4.15Å; F26-F120 AromaticContact CE1-CD1 3.71Å; F26-F120 HydrophobicContact CE1-CD1 3.71Å; F26-F120 HydrophobicContact CE1-CE1 4.26Å; F26-F120 AromaticContact CE2-CD1 3.93Å; F26-F120 HydrophobicContact CE2-CD1 3.93Å; F26-F120 AromaticContact CG-CD1 3.9Å; F26-F120 HydrophobicContact CG-CD1 3.9Å; F26-F120 AromaticContact CG-CE1 3.73Å; F26-F120 HydrophobicContact CG-CE1 3.73Å; F26-F120 AromaticContact CZ-CD1 3.72Å; F26-F120 HydrophobicContact CZ-CD1 3.72Å; A54-F120 HydrophobicContact CB-CD2 4.13Å; A54-F120 HydrophobicContact CB-CE2 3.7Å; A54-F120 WeakPolarHBondContact O-CD2 3.39Å; L55-F120 HydrophobicContact CD2-CE2 4.06Å; L55-F120 HydrophobicContact CD2-CZ 3.92Å; L55-F120 HydrophobicContact CG-CE2 4.36Å; L55-F120 HydrophobicContact CG-CZ 4.47Å; L58-F120 HydrophobicContact CD1-CD1 4.1Å; L58-F120 HydrophobicContact CD1-CE1 4.16Å; L58-F120 HydrophobicContact CD1-CG 4.3Å; L58-F120 HydrophobicContact CD1-CZ 4.4Å; P59-F120 WeakPolarHBondContact CG-O 3.32Å; F64-F120 HydrophobicContact CD2-CZ 4.49Å; L96-F120 HydrophobicContact CD2-CE1 3.97Å; L96-F120 HydrophobicContact CD2-CZ 4.12Å; V116-F120 HydrophobicContact CG1-CE2 4Å; V116-F120 HydrophobicContact CG1-CZ 4.03Å; V116-F120 PolarHBondContact O-N 2.9Å; E117-F120 WeakPolarHBondContact O-CA 3.2Å; E117-F120 WeakPolarHBondContact O-CB 3.38Å; E117-F120 PolarHBondContact O-N 3.26Å; L118-F120 PolarHBondContact O-N 3.33Å
121E89.4Confident93.9Very high115 Ų11558.9 Ų58.954%0.53730%0.303SS..Hα-helixtrans-72.7-46-176.3-71.4174.1-172.400113K57 E117 L118K57-E121 IonicContact NZ-OE1 2.79Å; E117-E121 WeakPolarHBondContact O-CG 3.47Å; E117-E121 PolarHBondContact O-N 2.64Å; L118-E121 PolarHBondContact O-N 3.2Å
122D68.3Low93.7Very high122 Ų12259.5 Ų59.565%0.65230%0.301SS*.  trans-71.10-175.9-73.7-26.1000113.6R24 K103 L118R24-D122 PolarHBondContact NH1-OXT 3.46Å; R24-D122 VanDerWaalsContact NH1-OXT 3.1Å; R24-D122 PolarHBondContact NH2-OXT 2.89Å; K103-D122 PolarHBondContact NZ-OXT 3.21Å; L118-D122 PolarHBondContact O-N 3.12Å

Retrieved 122 of 122 residues in 455.5 ms (Link to these results)

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