X6RD87_HUMAN Loading...

Zyg-11 related cell cycle regulator

AlphaFold DB , UniProt , Accession X6RD87, Species HUMAN (Homo sapiens, Human), Gene ZER1, Length 164 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
1M39.6Very low76.4Confident241 Ų241113.4 Ų113.4100%1.18766%0.66SS**  0112.10-69.2-172.3170.600105.8S3M1-S3 PolarHBondContact O-N 3.24Å
2A50.6Low77.8Confident94 Ų94111.2 Ų111.278%0.77764%0.643SS**  trans-64.4122.5172.600000106.6D4A2-D4 PolarHBondContact O-N 2.99Å
3S59.7Low79.1Confident90 Ų90107.3 Ų107.363%0.62963%0.625SS**  trans-66.4115.5175.849.10000108M1 T5M1-S3 PolarHBondContact O-N 3.24Å; S3-T5 PolarHBondContact O-N 3.04Å; S3-T5 PolarHBondContact OG-OG1 3Å
4D70Confident80.2Confident170 Ų170100.4 Ų100.491%0.90959%0.585SS**  trans-64.822.1173.2-72.3-41.4000113.3A2A2-D4 PolarHBondContact O-N 2.99Å
5T77.8Confident81.1Confident99 Ų9997.4 Ų97.461%0.60757%0.566SS**PPolyproline II helixtrans-81.4122.7172.746.50000108.7S3S3-T5 PolarHBondContact O-N 3.04Å; S3-T5 PolarHBondContact OG-OG1 3Å
6P84.4Confident81.8Confident120 Ų12098.9 Ų98.978%0.77956%0.564SS**PPolyproline II helixtrans-60.4145.6176.826.2-33.7000110.3
7E87.3Confident82.6Confident139 Ų13994.7 Ų94.765%0.6554%0.542SS*.PPolyproline II helixtrans-58.7144.6172.4-71.3-178164.200110.6L12E7-L12 HydrophobicContact CB-CD2 4.18Å; E7-L12 HydrophobicContact CB-CG 4.04Å; E7-L12 WeakPolarHBondContact OE2-CD2 3.43Å
8S92.3Very high83.2Confident65 Ų6589.7 Ų89.746%0.45551%0.513SS..PPolyproline II helixtrans-68.3150.9176.9710000110.6M10 A11 L12S8-M10 PolarHBondContact O-N 3.49Å; S8-A11 WeakPolarHBondContact O-CB 3.41Å; S8-A11 PolarHBondContact O-N 3.25Å; S8-A11 PolarHBondContact OG-N 3.26Å; S8-L12 PolarHBondContact O-N 3.13Å
9L93.7Very high83.6Confident134 Ų13490.8 Ų90.870%0.70251%0.508SS*.Hα-helixtrans-54.1-37.3173.5-179.962.4000111.6L12 C13L9-L12 PolarHBondContact O-N 3.31Å; L9-C13 VanDerWaalsContact O-CB 3.32Å; L9-C13 WeakPolarHBondContact O-CB 3.23Å; L9-C13 PolarHBondContact O-N 2.88Å; L9-C13 PolarHBondContact O-SG 3.13Å
10M92.8Very high84Confident66 Ų6690 Ų9033%0.32550%0.502SS..Hα-helixtrans-58.7-48.2175.3-173.772.5148.400111.8S8 C13 T14 I46S8-M10 PolarHBondContact O-N 3.49Å; M10-C13 PolarHBondContact O-N 3.21Å; M10-T14 WeakPolarHBondContact O-CB 3.21Å; M10-T14 PolarHBondContact O-N 2.81Å; M10-T14 PolarHBondContact O-OG1 3.27Å; M10-I46 HydrophobicContact CE-CD1 3.38Å; M10-I46 HydrophobicContact SD-CD1 3.95Å
11A92.2Very high84.2Confident29 Ų2986.2 Ų86.224%0.2448%0.481CS..Hα-helixtrans-62.6-47179.400000111.3S8 C13 T14 D15S8-A11 WeakPolarHBondContact O-CB 3.41Å; S8-A11 PolarHBondContact O-N 3.25Å; S8-A11 PolarHBondContact OG-N 3.26Å; A11-C13 PolarHBondContact O-N 2.99Å; A11-T14 PolarHBondContact O-N 2.97Å; A11-D15 PolarHBondContact O-N 3.03Å
12L93.7Very high86.3Confident87 Ų8778.4 Ų78.446%0.45544%0.444SS..Hα-helixtrans-60.5-44.6177.7-69.1170.4000112.3E7 S8 L9 F16E7-L12 HydrophobicContact CB-CD2 4.18Å; E7-L12 HydrophobicContact CB-CG 4.04Å; E7-L12 WeakPolarHBondContact OE2-CD2 3.43Å; S8-L12 PolarHBondContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.34Å; L12-F16 PolarHBondContact O-N 2.8Å
13C93.9Very high87.9Confident61 Ų6177.2 Ų77.241%0.41244%0.441SS..Hα-helixtrans-67.1-39.8177.3-71.80000111.9L9 M10 A11 F16 C17L9-C13 VanDerWaalsContact O-CB 3.32Å; L9-C13 WeakPolarHBondContact O-CB 3.23Å; L9-C13 PolarHBondContact O-N 2.88Å; L9-C13 PolarHBondContact O-SG 3.13Å; M10-C13 PolarHBondContact O-N 3.21Å; A11-C13 PolarHBondContact O-N 2.99Å; C13-F16 PolarHBondContact O-N 2.87Å; C13-C17 WeakPolarHBondContact O-CB 3.29Å; C13-C17 PolarHBondContact O-N 2.76Å; C13-C17 PolarHBondContact O-SG 3.39Å
14T94.8Very high89.3Confident10 Ų1074.8 Ų74.86%0.06142%0.422CS..Hα-helixtrans-62.7-50.4176.9-65.80000111.3M10 A11 F16 C17 L18 R49 L50 E53M10-T14 WeakPolarHBondContact O-CB 3.21Å; M10-T14 PolarHBondContact O-N 2.81Å; M10-T14 PolarHBondContact O-OG1 3.27Å; A11-T14 PolarHBondContact O-N 2.97Å; T14-F16 VanDerWaalsContact C-N 3.32Å; T14-F16 PolarHBondContact O-N 3Å; T14-C17 PolarHBondContact O-N 3.12Å; T14-L18 HydrophobicContact CG2-CD1 3.82Å; T14-L18 HydrophobicContact CG2-CG 4.29Å; T14-L18 VanDerWaalsContact O-CG 3.32Å; T14-L18 WeakPolarHBondContact O-CG 3.33Å; T14-L18 PolarHBondContact O-N 2.95Å; T14-R49 HydrophobicContact CG2-CG 4.19Å; T14-R49 WeakPolarHBondContact OG1-CD 3.49Å; T14-L50 HydrophobicContact CG2-CD2 4.13Å; T14-E53 HydrophobicContact CG2-CB 3.83Å; T14-E53 HydrophobicContact CG2-CG 3.87Å
15D93.4Very high90.3Very high56 Ų5667.6 Ų67.630%0.29938%0.384SS..Hα-helixtrans-58.4-45.3177.4179.382.5000111.2A11 C17 L18 R19A11-D15 PolarHBondContact O-N 3.03Å; D15-C17 PolarHBondContact O-N 2.98Å; D15-L18 PolarHBondContact O-N 3.43Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 2.86Å; D15-R19 IonicContact OD1-CZ 3.78Å; D15-R19 VanDerWaalsContact OD1-CZ 3.3Å; D15-R19 IonicContact OD1-NE 2.64Å; D15-R19 PolarHBondContact OD1-NE 3.33Å; D15-R19 IonicContact OD1-NH2 3.65Å; D15-R19 PolarHBondContact OD1-NH2 3.17Å; D15-R19 WeakPolarHBondContact OD2-CD 3.2Å; D15-R19 IonicContact OD2-CZ 2.73Å; D15-R19 IonicContact OD2-NE 3.44Å; D15-R19 PolarHBondContact OD2-NE 2.7Å; D15-R19 IonicContact OD2-NH2 3.52Å
16F93.3Very high90.8Very high122 Ų12262.9 Ų62.954%0.53536%0.355SS..Hα-helixtrans-60.2-46177.8-176-93.1000112.7L12 C13 T14 R19 N20 T24L12-F16 WeakPolarHBondContact O-CB 3.34Å; L12-F16 PolarHBondContact O-N 2.8Å; C13-F16 PolarHBondContact O-N 2.87Å; T14-F16 VanDerWaalsContact C-N 3.32Å; T14-F16 PolarHBondContact O-N 3Å; F16-R19 PolarHBondContact O-N 3.2Å; F16-N20 WeakPolarHBondContact O-CB 3.42Å; F16-N20 PolarHBondContact O-N 3.44Å; F16-N20 PolarHBondContact O-ND2 2.8Å; F16-T24 HydrophobicContact CD1-CG2 4.18Å; F16-T24 HydrophobicContact CE1-CG2 3.77Å
17C94.1Very high91Very high27 Ų2761 Ų6118%0.18233%0.333CS..Hα-helixtrans-63.7-43.9178.2-72.50000111.8C13 T14 D15 R19 N20 L21 T24 L25 L50C13-C17 WeakPolarHBondContact O-CB 3.29Å; C13-C17 PolarHBondContact O-N 2.76Å; C13-C17 PolarHBondContact O-SG 3.39Å; T14-C17 PolarHBondContact O-N 3.12Å; D15-C17 PolarHBondContact O-N 2.98Å; C17-R19 VanDerWaalsContact C-N 3.29Å; C17-R19 PolarHBondContact O-N 3.19Å; C17-N20 CarbonylContact O-C 3.27Å; C17-N20 VanDerWaalsContact O-C 3.26Å; C17-N20 PolarHBondContact O-N 2.65Å; C17-N20 VanDerWaalsContact O-N 3.1Å; C17-L21 WeakPolarHBondContact O-CA 3.47Å; C17-L21 WeakPolarHBondContact O-CD2 3.28Å; C17-L21 WeakPolarHBondContact O-CG 3.33Å; C17-L21 PolarHBondContact O-N 2.8Å; C17-T24 PolarHBondContact O-OG1 2.93Å; C17-L25 HydrophobicContact CB-CD1 3.83Å; C17-L25 HydrophobicContact CB-CG 4.22Å; C17-L50 HydrophobicContact CB-CD2 4.45Å
18L93.9Very high90.9Very high5 Ų557.7 Ų57.73%0.02632%0.319CS..Hα-helixtrans-64.3-33.5-179.6-70176.4000112.5T14 D15 N20 L21 L50 E53 Y54 L57 F64 F70T14-L18 HydrophobicContact CG2-CD1 3.82Å; T14-L18 HydrophobicContact CG2-CG 4.29Å; T14-L18 VanDerWaalsContact O-CG 3.32Å; T14-L18 WeakPolarHBondContact O-CG 3.33Å; T14-L18 PolarHBondContact O-N 2.95Å; D15-L18 PolarHBondContact O-N 3.43Å; L18-N20 VanDerWaalsContact C-N 3.32Å; L18-L21 HydrophobicContact CD2-CD2 4.34Å; L18-L50 HydrophobicContact CD2-CB 4.45Å; L18-L50 HydrophobicContact CD2-CD2 3.79Å; L18-L50 HydrophobicContact CG-CD2 4.04Å; L18-E53 HydrophobicContact CD1-CB 3.85Å; L18-Y54 HydrophobicContact CD2-CD2 4.31Å; L18-L57 HydrophobicContact CB-CD1 4.09Å; L18-L57 HydrophobicContact CD1-CD1 3.75Å; L18-F64 HydrophobicContact CB-CE2 4.48Å; L18-F70 HydrophobicContact CD2-CE2 3.75Å; L18-F70 HydrophobicContact CD2-CZ 4.05Å
19R91.6Very high90.5Very high111 Ų11157 Ų5742%0.41931%0.31SS..Hα-helixtrans-78.2-14.5175-66.5177.8-168.9-72.3-12.1114D15 F16 C17 F64D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 2.86Å; D15-R19 IonicContact OD1-CZ 3.78Å; D15-R19 VanDerWaalsContact OD1-CZ 3.3Å; D15-R19 IonicContact OD1-NE 2.64Å; D15-R19 PolarHBondContact OD1-NE 3.33Å; D15-R19 IonicContact OD1-NH2 3.65Å; D15-R19 PolarHBondContact OD1-NH2 3.17Å; D15-R19 WeakPolarHBondContact OD2-CD 3.2Å; D15-R19 IonicContact OD2-CZ 2.73Å; D15-R19 IonicContact OD2-NE 3.44Å; D15-R19 PolarHBondContact OD2-NE 2.7Å; D15-R19 IonicContact OD2-NH2 3.52Å; F16-R19 PolarHBondContact O-N 3.2Å; C17-R19 VanDerWaalsContact C-N 3.29Å; C17-R19 PolarHBondContact O-N 3.19Å; R19-F64 HydrophobicContact CG-CD2 4.36Å; R19-F64 HydrophobicContact CG-CE2 4.31Å
20N90.8Very high89.9Confident73 Ų7357 Ų5739%0.3931%0.311SS..THydrogen-bonded Turntrans-136.441.9-173.1-59.6-87.7000111.6F16 C17 L18 D22 G23 T24F16-N20 WeakPolarHBondContact O-CB 3.42Å; F16-N20 PolarHBondContact O-N 3.44Å; F16-N20 PolarHBondContact O-ND2 2.8Å; C17-N20 CarbonylContact O-C 3.27Å; C17-N20 VanDerWaalsContact O-C 3.26Å; C17-N20 PolarHBondContact O-N 2.65Å; C17-N20 VanDerWaalsContact O-N 3.1Å; L18-N20 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 2.81Å; N20-G23 PolarHBondContact O-N 3.37Å; N20-G23 VanDerWaalsContact O-N 3.11Å; N20-T24 HydrophobicContact CB-CG2 3.99Å; N20-T24 WeakPolarHBondContact O-CB 3.24Å; N20-T24 WeakPolarHBondContact O-CG2 3.18Å; N20-T24 PolarHBondContact O-N 3.17Å; N20-T24 VanDerWaalsContact O-N 3.12Å; N20-T24 PolarHBondContact O-OG1 2.89Å
21L89.3Confident89.1Confident11 Ų1162.8 Ų62.86%0.05833%0.334CS..Hα-helixtrans-54.5-50.1-170.4-74.6168.2000112.8C17 L18 G23 T24 L25 G26 L34 H67 F70 L73C17-L21 WeakPolarHBondContact O-CA 3.47Å; C17-L21 WeakPolarHBondContact O-CD2 3.28Å; C17-L21 WeakPolarHBondContact O-CG 3.33Å; C17-L21 PolarHBondContact O-N 2.8Å; L18-L21 HydrophobicContact CD2-CD2 4.34Å; L21-G23 PolarHBondContact O-N 3Å; L21-G23 VanDerWaalsContact O-N 3.17Å; L21-T24 PolarHBondContact O-N 3.02Å; L21-L25 HydrophobicContact CD2-CD1 4.48Å; L21-L25 PolarHBondContact O-N 2.83Å; L21-G26 PolarHBondContact O-N 3.02Å; L21-L34 HydrophobicContact CB-CD2 4.12Å; L21-L34 HydrophobicContact CD1-CD2 4.01Å; L21-H67 HydrophobicContact CD1-CB 4.41Å; L21-F70 HydrophobicContact CD1-CD2 3.69Å; L21-F70 HydrophobicContact CD1-CE2 4.11Å; L21-F70 HydrophobicContact CD2-CE2 4.34Å; L21-L73 HydrophobicContact CD2-CD1 3.99Å
22D83.5Confident88.6Confident77 Ų7768.7 Ų68.741%0.41236%0.357SS..Hα-helixtrans-64.6-18.1-177.8-58.2-1.1000114.4N20 G26 L28 L34 H67N20-D22 PolarHBondContact O-N 2.81Å; D22-G26 CarbonylContact C-O 3.19Å; D22-G26 VanDerWaalsContact CA-O 3.3Å; D22-G26 WeakPolarHBondContact CA-O 3.23Å; D22-L28 WeakPolarHBondContact OD2-CD1 3.25Å; D22-L34 WeakPolarHBondContact OD1-CD1 3.25Å; D22-H67 IonicContact OD1-NE2 3.8Å
23G82.6Confident88.2Confident69 Ų6967 Ų6771%0.71135%0.35SS*.Hα-helixtrans-106.7-6.3-179.500000113.8N20 L21N20-G23 PolarHBondContact O-N 3.37Å; N20-G23 VanDerWaalsContact O-N 3.11Å; L21-G23 PolarHBondContact O-N 3Å; L21-G23 VanDerWaalsContact O-N 3.17Å
24T90.3Very high88Confident39 Ų3964.1 Ų64.124%0.23933%0.331CS..Hα-helixtrans-123.8-61.8-172550000112.3F16 C17 N20 L21F16-T24 HydrophobicContact CD1-CG2 4.18Å; F16-T24 HydrophobicContact CE1-CG2 3.77Å; C17-T24 PolarHBondContact O-OG1 2.93Å; N20-T24 HydrophobicContact CB-CG2 3.99Å; N20-T24 WeakPolarHBondContact O-CB 3.24Å; N20-T24 WeakPolarHBondContact O-CG2 3.18Å; N20-T24 PolarHBondContact O-N 3.17Å; N20-T24 VanDerWaalsContact O-N 3.12Å; N20-T24 PolarHBondContact O-OG1 2.89Å; L21-T24 PolarHBondContact O-N 3.02Å
25L89.8Confident87.8Confident20 Ų2069.1 Ų69.111%0.10535%0.348CS..THydrogen-bonded Turntrans-108.2-36.1-172-64.4178.8000112.3C17 L21 L36 H37 I40 L42 L50C17-L25 HydrophobicContact CB-CD1 3.83Å; C17-L25 HydrophobicContact CB-CG 4.22Å; L21-L25 HydrophobicContact CD2-CD1 4.48Å; L21-L25 PolarHBondContact O-N 2.83Å; L25-L36 HydrophobicContact CB-CD1 4.18Å; L25-L36 WeakPolarHBondContact O-CD1 3.48Å; L25-H37 PolarHBondContact O-N 3.26Å; L25-I40 HydrophobicContact CD2-CD1 4.36Å; L25-L42 HydrophobicContact CD2-CD2 4.44Å; L25-L50 HydrophobicContact CD1-CD1 3.81Å; L25-L50 HydrophobicContact CD1-CD2 4.03Å
26G89.6Confident87.8Confident0 Ų067.3 Ų67.30%034%0.339CS..EExtended strand (participates in β ladder)trans-119.5170.7-171.600000113.7L21 D22 R35L21-G26 PolarHBondContact O-N 3.02Å; D22-G26 CarbonylContact C-O 3.19Å; D22-G26 VanDerWaalsContact CA-O 3.3Å; D22-G26 WeakPolarHBondContact CA-O 3.23Å; G26-R35 CarbonylContact C-O 3.53Å; G26-R35 WeakPolarHBondContact CA-O 3.44Å
27Y88.8Confident87.8Confident81 Ų8165 Ų6532%0.31833%0.329SS..EExtended strand (participates in β ladder)trans-138.5150.5167.769.8-84.1000108.8L29 R35 L36 H37Y27-L29 HydrophobicContact CE2-CB 4.35Å; Y27-L29 PolarHBondContact O-N 3.29Å; Y27-R35 HydrophobicContact CD1-CB 4.33Å; Y27-R35 VanDerWaalsContact CD1-O 3.28Å; Y27-R35 WeakPolarHBondContact CD1-O 3.39Å; Y27-R35 HydrophobicContact CE1-CB 3.76Å; Y27-R35 HydrophobicContact CE2-CB 4.35Å; Y27-R35 PolarHBondContact N-O 3.26Å; Y27-R35 PolarHBondContact O-N 2.9Å; Y27-L36 WeakPolarHBondContact CE1-O 3.41Å; Y27-H37 AromaticContact CD1-ND1 3.98Å
28L85.8Confident87.5Confident68 Ų6868 Ų6836%0.35635%0.349SS..EExtended strand (participates in β ladder)trans-82.1115.4176.6-70.6171.8000110.9D22 L34D22-L28 WeakPolarHBondContact OD2-CD1 3.25Å; L28-L34 HydrophobicContact CD2-CB 4.27Å; L28-L34 HydrophobicContact CD2-CD1 4.14Å
29L81.9Confident87.3Confident51 Ų5174.9 Ų74.927%0.26739%0.385SS..EExtended strand (participates in β ladder)trans-80.7128.6165.1-175.168.3000108.9Y27 K31 E32 T33 R35Y27-L29 HydrophobicContact CE2-CB 4.35Å; Y27-L29 PolarHBondContact O-N 3.29Å; L29-K31 PolarHBondContact O-N 2.73Å; L29-E32 PolarHBondContact O-N 3.43Å; L29-E32 VanDerWaalsContact O-N 3.14Å; L29-T33 WeakPolarHBondContact CB-O 3.34Å; L29-T33 PolarHBondContact N-O 3.44Å; L29-T33 PolarHBondContact O-N 3.46Å; L29-R35 HydrophobicContact CB-CG 4.42Å
30D82.6Confident87.4Confident133 Ų13371.5 Ų71.571%0.71138%0.375SS*.THydrogen-bonded Turntrans53.624.5177.5-55.5-38.8000114.8E32D30-E32 PolarHBondContact O-N 2.87Å
31K76.3Confident87.6Confident189 Ų18974.7 Ų74.782%0.82239%0.386SS*.THydrogen-bonded Turntrans66.15.6-176.8-53.9-178.1178.3-179.60116.3L29L29-K31 PolarHBondContact O-N 2.73Å
32E79.9Confident87.8Confident152 Ų15275.1 Ų75.171%0.7139%0.388SS*.THydrogen-bonded Turntrans-129.2-36.9-174.4-66.4-179.2170.700112.8L29 D30 S69L29-E32 PolarHBondContact O-N 3.43Å; L29-E32 VanDerWaalsContact O-N 3.14Å; D30-E32 PolarHBondContact O-N 2.87Å; E32-S69 WeakPolarHBondContact O-CB 3.39Å; E32-S69 PolarHBondContact O-OG 2.88Å
33T85.3Confident88.4Confident53 Ų5374.6 Ų74.633%0.32539%0.389SS..EExtended strand (participates in β ladder)trans-102.9112.8-173.1-55.90000111.4L29 R35L29-T33 WeakPolarHBondContact CB-O 3.34Å; L29-T33 PolarHBondContact N-O 3.44Å; L29-T33 PolarHBondContact O-N 3.46Å; T33-R35 HydrophobicContact CG2-CG 4.34Å; T33-R35 PolarHBondContact O-N 3.18Å
34L89.6Confident89.1Confident0 Ų072.4 Ų72.40%036%0.363CS..EExtended strand (participates in β ladder)trans-75123.3177.6-172.361.4000111.4L21 D22 L28 S69 S72 L73L21-L34 HydrophobicContact CB-CD2 4.12Å; L21-L34 HydrophobicContact CD1-CD2 4.01Å; D22-L34 WeakPolarHBondContact OD1-CD1 3.25Å; L28-L34 HydrophobicContact CD2-CB 4.27Å; L28-L34 HydrophobicContact CD2-CD1 4.14Å; L34-S69 PolarHBondContact N-OG 3.05Å; L34-S72 CarbonylContact O-C 3.19Å; L34-S72 PolarHBondContact O-OG 3.17Å; L34-L73 HydrophobicContact CD1-CD2 4.43Å; L34-L73 HydrophobicContact CD2-CD1 3.63Å; L34-L73 HydrophobicContact CD2-CD2 4.04Å; L34-L73 HydrophobicContact CD2-CG 3.7Å; L34-L73 HydrophobicContact CG-CD1 4.2Å; L34-L73 HydrophobicContact CG-CD2 3.65Å; L34-L73 HydrophobicContact CG-CG 3.76Å; L34-L73 PolarHBondContact O-N 2.95Å
35R91.3Very high89.3Confident114 Ų11476.6 Ų76.643%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-124.5143.2179.2-73.9-161.6163.1-176.5-1.6112G26 Y27 L29 T33G26-R35 CarbonylContact C-O 3.53Å; G26-R35 WeakPolarHBondContact CA-O 3.44Å; Y27-R35 HydrophobicContact CD1-CB 4.33Å; Y27-R35 VanDerWaalsContact CD1-O 3.28Å; Y27-R35 WeakPolarHBondContact CD1-O 3.39Å; Y27-R35 HydrophobicContact CE1-CB 3.76Å; Y27-R35 HydrophobicContact CE2-CB 4.35Å; Y27-R35 PolarHBondContact N-O 3.26Å; Y27-R35 PolarHBondContact O-N 2.9Å; L29-R35 HydrophobicContact CB-CG 4.42Å; T33-R35 HydrophobicContact CG2-CG 4.34Å; T33-R35 PolarHBondContact O-N 3.18Å
36L94Very high89.6Confident18 Ų1878 Ų789%0.09439%0.387CS..EExtended strand (participates in β ladder)trans-63.7139.8173.8-165.378.4000109.8L25 Y27 I40 L42 L73 T80L25-L36 HydrophobicContact CB-CD1 4.18Å; L25-L36 WeakPolarHBondContact O-CD1 3.48Å; Y27-L36 WeakPolarHBondContact CE1-O 3.41Å; L36-I40 HydrophobicContact CD1-CB 4.43Å; L36-I40 HydrophobicContact CD1-CG2 4.09Å; L36-I40 HydrophobicContact CD2-CB 4.12Å; L36-I40 HydrophobicContact CD2-CG2 4.07Å; L36-I40 WeakPolarHBondContact CD2-O 3.32Å; L36-I40 HydrophobicContact CG-CB 4.09Å; L36-I40 HydrophobicContact CG-CG2 4.19Å; L36-L42 HydrophobicContact CD1-CD1 3.7Å; L36-L42 HydrophobicContact CD1-CG 4.24Å; L36-L42 HydrophobicContact CD2-CD1 4.47Å; L36-L42 HydrophobicContact CD2-CG 4.29Å; L36-L73 HydrophobicContact CB-CD2 4.32Å; L36-L73 HydrophobicContact CD1-CD2 4.49Å; L36-T80 HydrophobicContact CD2-CG2 3.77Å
37H92.3Very high89.9Confident73 Ų7378 Ų7834%0.33839%0.387SS..  trans-54.9139.1171.8-89.2-68.7000111.4L25 Y27 D39 I40L25-H37 PolarHBondContact O-N 3.26Å; Y27-H37 AromaticContact CD1-ND1 3.98Å; H37-D39 PolarHBondContact O-N 3.12Å; H37-D39 VanDerWaalsContact O-N 3.12Å; H37-I40 HydrophobicContact CB-CB 4.43Å; H37-I40 HydrophobicContact CB-CD1 3.76Å; H37-I40 HydrophobicContact CB-CG1 3.82Å; H37-I40 PolarHBondContact O-N 2.96Å
38P88.3Confident90.3Very high91 Ų9174.8 Ų74.859%0.59138%0.375SS*.THydrogen-bonded Turntrans-64.1-21.7-17326-35.2000113.8
39D90.3Very high90.8Very high149 Ų14975.8 Ų75.880%0.79737%0.374SS*.THydrogen-bonded Turntrans-93.11.1-180-57.7-44.1000113.1H37H37-D39 PolarHBondContact O-N 3.12Å; H37-D39 VanDerWaalsContact O-N 3.12Å
40I92.7Very high91.5Very high41 Ų4173.6 Ų73.621%0.2136%0.363CS..  trans-102.1130.5-179.9-59.1-175.2000109.5L25 L36 H37 L42L25-I40 HydrophobicContact CD2-CD1 4.36Å; L36-I40 HydrophobicContact CD1-CB 4.43Å; L36-I40 HydrophobicContact CD1-CG2 4.09Å; L36-I40 HydrophobicContact CD2-CB 4.12Å; L36-I40 HydrophobicContact CD2-CG2 4.07Å; L36-I40 WeakPolarHBondContact CD2-O 3.32Å; L36-I40 HydrophobicContact CG-CB 4.09Å; L36-I40 HydrophobicContact CG-CG2 4.19Å; H37-I40 HydrophobicContact CB-CB 4.43Å; H37-I40 HydrophobicContact CB-CD1 3.76Å; H37-I40 HydrophobicContact CB-CG1 3.82Å; H37-I40 PolarHBondContact O-N 2.96Å; I40-L42 HydrophobicContact CG2-CD2 3.55Å; I40-L42 HydrophobicContact CG2-CG 3.85Å
41F94.8Very high92.1Very high139 Ų13967.3 Ų67.361%0.6133%0.329SS*.  trans-124.2118.5172.6-64.6-94.6000108.5R78 S79F41-R78 WeakPolarHBondContact CD1-O 3.5Å; F41-S79 CarbonylContact C-O 3.45Å; F41-S79 WeakPolarHBondContact CA-O 3.28Å
42L95.3Very high93Very high21 Ų2160.6 Ų60.611%0.1130%0.302CS..  trans-105.7119.6-176.8-59.9-176.6000110.1L25 L36 I40 I46 C47 L50 S79L25-L42 HydrophobicContact CD2-CD2 4.44Å; L36-L42 HydrophobicContact CD1-CD1 3.7Å; L36-L42 HydrophobicContact CD1-CG 4.24Å; L36-L42 HydrophobicContact CD2-CD1 4.47Å; L36-L42 HydrophobicContact CD2-CG 4.29Å; I40-L42 HydrophobicContact CG2-CD2 3.55Å; I40-L42 HydrophobicContact CG2-CG 3.85Å; L42-I46 HydrophobicContact CB-CG2 4.5Å; L42-I46 HydrophobicContact CD2-CG2 4.03Å; L42-C47 WeakPolarHBondContact CB-SG 3.46Å; L42-C47 PolarHBondContact O-SG 3.1Å; L42-L50 HydrophobicContact CD1-CD1 3.9Å; L42-S79 PolarHBondContact N-O 2.98Å
43P95.5Very high93.7Very high65 Ų6556.8 Ų56.842%0.42229%0.285SS..  trans-73.7168173.732.1-35000111.4E45 I46 C47P43-E45 VanDerWaalsContact C-N 3.29Å; P43-E45 PolarHBondContact O-N 3.3Å; P43-I46 HydrophobicContact CG-CB 4.36Å; P43-I46 HydrophobicContact CG-CG1 3.74Å; P43-I46 PolarHBondContact O-N 3.08Å; P43-C47 PolarHBondContact O-N 3.24Å
44S96.1Very high94.1Very high24 Ų2454.6 Ų54.617%0.16827%0.27CS..Hα-helixtrans-54.5-42.1-174.435.60000114.4I46 C47 D48 R81S44-I46 PolarHBondContact O-N 3.14Å; S44-C47 PolarHBondContact O-N 2.71Å; S44-D48 VanDerWaalsContact O-CB 3.24Å; S44-D48 WeakPolarHBondContact O-CB 3.2Å; S44-D48 PolarHBondContact O-N 2.95Å; S44-R81 VanDerWaalsContact CA-O 3.23Å; S44-R81 WeakPolarHBondContact CA-O 3.38Å
45E95.4Very high94.3Very high126 Ų12654.6 Ų54.659%0.58927%0.27SS*.Hα-helixtrans-62.2-29.3-179.1-63.783.4169.100112.1P43 R49P43-E45 VanDerWaalsContact C-N 3.29Å; P43-E45 PolarHBondContact O-N 3.3Å; E45-R49 VanDerWaalsContact O-CB 3.25Å; E45-R49 WeakPolarHBondContact O-CB 3.4Å
46I95.9Very high94.3Very high50 Ų5053.6 Ų53.626%0.25627%0.271SS..Hα-helixtrans-86.3-46.6179-56.8-70.8000110M10 L42 P43 S44 R49 L50M10-I46 HydrophobicContact CE-CD1 3.38Å; M10-I46 HydrophobicContact SD-CD1 3.95Å; L42-I46 HydrophobicContact CB-CG2 4.5Å; L42-I46 HydrophobicContact CD2-CG2 4.03Å; P43-I46 HydrophobicContact CG-CB 4.36Å; P43-I46 HydrophobicContact CG-CG1 3.74Å; P43-I46 PolarHBondContact O-N 3.08Å; S44-I46 PolarHBondContact O-N 3.14Å; I46-R49 PolarHBondContact O-N 2.83Å; I46-L50 HydrophobicContact CG2-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CG 4.36Å; I46-L50 WeakPolarHBondContact O-CB 3.42Å; I46-L50 VanDerWaalsContact O-CG 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.47Å; I46-L50 PolarHBondContact O-N 3.04Å
47C96.7Very high94.2Very high0 Ų053.9 Ų53.90%027%0.272CS..Hα-helixtrans-62-49.5179.1-66.40000112.1L42 P43 S44 R49 L50 V51 F74 R81 L82L42-C47 WeakPolarHBondContact CB-SG 3.46Å; L42-C47 PolarHBondContact O-SG 3.1Å; P43-C47 PolarHBondContact O-N 3.24Å; S44-C47 PolarHBondContact O-N 2.71Å; C47-R49 VanDerWaalsContact C-N 3.29Å; C47-R49 PolarHBondContact O-N 3.19Å; C47-L50 PolarHBondContact O-N 2.88Å; C47-V51 PolarHBondContact O-N 2.89Å; C47-F74 HydrophobicContact CB-CD1 4.01Å; C47-F74 HydrophobicContact CB-CE1 3.87Å; C47-R81 WeakPolarHBondContact CB-O 3.43Å; C47-L82 HydrophobicContact CB-CD2 3.56Å; C47-L82 HydrophobicContact CB-CG 4.24Å
48D97.1Very high94Very high14 Ų1452.3 Ų52.38%0.07527%0.267CS..Hα-helixtrans-60.9-42.2180-68.9-8.2000110.5S44 N52 L82 T83 R84S44-D48 VanDerWaalsContact O-CB 3.24Å; S44-D48 WeakPolarHBondContact O-CB 3.2Å; S44-D48 PolarHBondContact O-N 2.95Å; D48-N52 WeakPolarHBondContact O-CB 3.42Å; D48-N52 PolarHBondContact O-N 3.38Å; D48-N52 PolarHBondContact O-ND2 3Å; D48-L82 WeakPolarHBondContact OD1-CA 3.41Å; D48-T83 PolarHBondContact OD1-N 3.4Å; D48-T83 PolarHBondContact OD2-OG1 2.83Å; D48-R84 WeakPolarHBondContact CB-O 3.3Å; D48-R84 VanDerWaalsContact CG-N 3.3Å; D48-R84 VanDerWaalsContact CG-O 3.3Å; D48-R84 PolarHBondContact OD1-N 3.04Å; D48-R84 PolarHBondContact OD2-N 2.84Å
49R95.9Very high93.9Very high89 Ų8951 Ų5134%0.33626%0.256SS..Hα-helixtrans-63.3-47.8175.7-179.8177.1-69.7-85.5-0.9111.8T14 E45 I46 C47 V51 N52 E53T14-R49 HydrophobicContact CG2-CG 4.19Å; T14-R49 WeakPolarHBondContact OG1-CD 3.49Å; E45-R49 VanDerWaalsContact O-CB 3.25Å; E45-R49 WeakPolarHBondContact O-CB 3.4Å; I46-R49 PolarHBondContact O-N 2.83Å; C47-R49 VanDerWaalsContact C-N 3.29Å; C47-R49 PolarHBondContact O-N 3.19Å; R49-V51 VanDerWaalsContact C-N 3.3Å; R49-V51 PolarHBondContact O-N 3.2Å; R49-N52 PolarHBondContact O-N 2.92Å; R49-E53 HydrophobicContact CG-CG 3.82Å; R49-E53 IonicContact NH1-OE1 2.95Å; R49-E53 PolarHBondContact NH1-OE1 3.2Å; R49-E53 VanDerWaalsContact O-CB 3.32Å; R49-E53 WeakPolarHBondContact O-CB 3.37Å; R49-E53 WeakPolarHBondContact O-CG 3.16Å; R49-E53 PolarHBondContact O-N 3.22Å
50L96.2Very high93.7Very high5 Ų546.1 Ų46.13%0.02624%0.236CC..Hα-helixtrans-56.9-45.6179.6-76.7165000111.4T14 C17 L18 L25 L42 I46 C47 Y54 F74T14-L50 HydrophobicContact CG2-CD2 4.13Å; C17-L50 HydrophobicContact CB-CD2 4.45Å; L18-L50 HydrophobicContact CD2-CB 4.45Å; L18-L50 HydrophobicContact CD2-CD2 3.79Å; L18-L50 HydrophobicContact CG-CD2 4.04Å; L25-L50 HydrophobicContact CD1-CD1 3.81Å; L25-L50 HydrophobicContact CD1-CD2 4.03Å; L42-L50 HydrophobicContact CD1-CD1 3.9Å; I46-L50 HydrophobicContact CG2-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CG 4.36Å; I46-L50 WeakPolarHBondContact O-CB 3.42Å; I46-L50 VanDerWaalsContact O-CG 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.47Å; I46-L50 PolarHBondContact O-N 3.04Å; C47-L50 PolarHBondContact O-N 2.88Å; L50-Y54 WeakPolarHBondContact O-CB 3.38Å; L50-Y54 PolarHBondContact O-N 3.44Å; L50-F74 HydrophobicContact CB-CZ 4.11Å; L50-F74 HydrophobicContact CD1-CE1 4.48Å; L50-F74 HydrophobicContact CD1-CZ 4.47Å
51V95.8Very high92.4Very high0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-66-48.6179.41740000111.4C47 R49 Y54 V55 F70 F71 F74 L82 I85 L87C47-V51 PolarHBondContact O-N 2.89Å; R49-V51 VanDerWaalsContact C-N 3.3Å; R49-V51 PolarHBondContact O-N 3.2Å; V51-Y54 WeakPolarHBondContact O-CB 3.29Å; V51-Y54 PolarHBondContact O-N 3.35Å; V51-V55 WeakPolarHBondContact O-CG2 3.49Å; V51-V55 PolarHBondContact O-N 3.49Å; V51-F70 HydrophobicContact CG2-CE1 4.08Å; V51-F70 HydrophobicContact CG2-CZ 4.42Å; V51-F71 HydrophobicContact CG1-CE1 4.01Å; V51-F74 HydrophobicContact CG2-CD2 4.09Å; V51-F74 HydrophobicContact CG2-CE1 4.36Å; V51-F74 HydrophobicContact CG2-CE2 3.63Å; V51-F74 HydrophobicContact CG2-CZ 3.78Å; V51-L82 HydrophobicContact CG2-CD1 4.39Å; V51-L82 HydrophobicContact CG2-CD2 3.69Å; V51-I85 HydrophobicContact CB-CG2 4.15Å; V51-I85 HydrophobicContact CG1-CB 4.12Å; V51-I85 HydrophobicContact CG1-CG2 3.9Å; V51-L87 HydrophobicContact CG1-CD2 3.8Å
52N95.1Very high91.4Very high49 Ų4945.7 Ų45.726%0.26226%0.261SS..Hα-helixtrans-66.2-42.5-176.9-66.7-33.6000111.8D48 R49 V55 E56 R84 H86D48-N52 WeakPolarHBondContact O-CB 3.42Å; D48-N52 PolarHBondContact O-N 3.38Å; D48-N52 PolarHBondContact O-ND2 3Å; R49-N52 PolarHBondContact O-N 2.92Å; N52-V55 PolarHBondContact O-N 3.15Å; N52-E56 WeakPolarHBondContact O-CG 3.31Å; N52-E56 PolarHBondContact O-N 2.95Å; N52-E56 VanDerWaalsContact O-N 3.09Å; N52-R84 PolarHBondContact ND2-O 3.04Å; N52-H86 PolarHBondContact OD1-N 3.48Å
53E94.6Very high90.6Very high72 Ų7252.8 Ų52.834%0.33630%0.299SS..Hα-helixtrans-68.8-34.4176.8-62.8-74.9178.200111.5T14 L18 R49 V55 E56 L57T14-E53 HydrophobicContact CG2-CB 3.83Å; T14-E53 HydrophobicContact CG2-CG 3.87Å; L18-E53 HydrophobicContact CD1-CB 3.85Å; R49-E53 HydrophobicContact CG-CG 3.82Å; R49-E53 IonicContact NH1-OE1 2.95Å; R49-E53 PolarHBondContact NH1-OE1 3.2Å; R49-E53 VanDerWaalsContact O-CB 3.32Å; R49-E53 WeakPolarHBondContact O-CB 3.37Å; R49-E53 WeakPolarHBondContact O-CG 3.16Å; R49-E53 PolarHBondContact O-N 3.22Å; E53-V55 VanDerWaalsContact C-N 3.34Å; E53-V55 PolarHBondContact O-N 2.76Å; E53-E56 PolarHBondContact O-N 3.26Å; E53-L57 WeakPolarHBondContact O-CB 3.38Å; E53-L57 WeakPolarHBondContact O-CG 3.19Å; E53-L57 PolarHBondContact O-N 3.44Å
54Y94.4Very high90.2Very high6 Ų650.9 Ų50.92%0.02428%0.284CS..Hα-helixtrans-59.6-45.9172.2176-96.6000111.4L18 L50 V51 E56 L57 V58 F64 P66 H67 F70 L91L18-Y54 HydrophobicContact CD2-CD2 4.31Å; L50-Y54 WeakPolarHBondContact O-CB 3.38Å; L50-Y54 PolarHBondContact O-N 3.44Å; V51-Y54 WeakPolarHBondContact O-CB 3.29Å; V51-Y54 PolarHBondContact O-N 3.35Å; Y54-E56 VanDerWaalsContact C-N 3.34Å; Y54-E56 PolarHBondContact O-N 3.27Å; Y54-L57 PolarHBondContact O-N 3.4Å; Y54-V58 HydrophobicContact CD1-CG2 4.34Å; Y54-V58 HydrophobicContact CD2-CG2 4.47Å; Y54-V58 HydrophobicContact CE1-CG2 3.98Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 WeakPolarHBondContact O-CG2 2.99Å; Y54-V58 PolarHBondContact O-N 2.97Å; Y54-F64 AromaticContact CD2-CE1 3.79Å; Y54-F64 HydrophobicContact CD2-CE1 3.79Å; Y54-F64 AromaticContact CD2-CZ 3.74Å; Y54-F64 HydrophobicContact CD2-CZ 3.74Å; Y54-F64 AromaticContact CE2-CE1 3.56Å; Y54-F64 HydrophobicContact CE2-CE1 3.56Å; Y54-F64 AromaticContact CE2-CZ 3.73Å; Y54-F64 HydrophobicContact CE2-CZ 3.73Å; Y54-P66 WeakPolarHBondContact OH-CA 3.32Å; Y54-P66 VanDerWaalsContact OH-CB 3.24Å; Y54-P66 WeakPolarHBondContact OH-CB 3.38Å; Y54-H67 PolarHBondContact OH-N 3.22Å; Y54-H67 PolarHBondContact OH-O 3.23Å; Y54-F70 AromaticContact CD1-CD1 3.53Å; Y54-F70 HydrophobicContact CD1-CD1 3.53Å; Y54-F70 AromaticContact CD1-CE1 3.59Å; Y54-F70 HydrophobicContact CD1-CE1 3.59Å; Y54-F70 HydrophobicContact CD1-CG 4.14Å; Y54-F70 HydrophobicContact CD1-CZ 4.24Å; Y54-F70 HydrophobicContact CD2-CD1 4.22Å; Y54-F70 AromaticContact CD2-CD2 3.99Å; Y54-F70 HydrophobicContact CD2-CD2 3.99Å; Y54-F70 HydrophobicContact CD2-CE1 4.22Å; Y54-F70 HydrophobicContact CD2-CE2 4Å; Y54-F70 HydrophobicContact CD2-CG 4.09Å; Y54-F70 HydrophobicContact CD2-CZ 4.11Å; Y54-F70 HydrophobicContact CE1-CB 4.21Å; Y54-F70 AromaticContact CE1-CD1 3.65Å; Y54-F70 HydrophobicContact CE1-CD1 3.65Å; Y54-F70 HydrophobicContact CE1-CE1 4.2Å; Y54-F70 AromaticContact CE1-CG 3.98Å; Y54-F70 HydrophobicContact CE1-CG 3.98Å; Y54-F70 HydrophobicContact CE2-CB 4.21Å; Y54-F70 HydrophobicContact CE2-CD1 4.32Å; Y54-F70 HydrophobicContact CE2-CD2 4.06Å; Y54-F70 AromaticContact CE2-CG 3.93Å; Y54-F70 HydrophobicContact CE2-CG 3.93Å; Y54-F70 AromaticContact CG-CD1 3.83Å; Y54-F70 HydrophobicContact CG-CD1 3.83Å; Y54-F70 HydrophobicContact CG-CD2 4.33Å; Y54-F70 AromaticContact CG-CE1 3.59Å; Y54-F70 HydrophobicContact CG-CE1 3.59Å; Y54-F70 HydrophobicContact CG-CE2 4.13Å; Y54-F70 HydrophobicContact CG-CG 4.19Å; Y54-F70 AromaticContact CG-CZ 3.75Å; Y54-F70 HydrophobicContact CG-CZ 3.75Å; Y54-F70 AromaticContact CZ-CG 3.88Å; Y54-L91 HydrophobicContact CD1-CD2 4.27Å; Y54-L91 HydrophobicContact CE1-CD1 4.09Å; Y54-L91 HydrophobicContact CE1-CD2 4.21Å
55V92.6Very high89.6Confident1 Ų158.4 Ų58.41%0.00632%0.316CS..Hα-helixtrans-59.6-45.4176.9174.50000110.8V51 N52 E53 V58 N59 L87 R88 L91V51-V55 WeakPolarHBondContact O-CG2 3.49Å; V51-V55 PolarHBondContact O-N 3.49Å; N52-V55 PolarHBondContact O-N 3.15Å; E53-V55 VanDerWaalsContact C-N 3.34Å; E53-V55 PolarHBondContact O-N 2.76Å; V55-V58 PolarHBondContact O-N 3.03Å; V55-N59 WeakPolarHBondContact O-CB 3.32Å; V55-N59 PolarHBondContact O-N 3.47Å; V55-N59 VanDerWaalsContact O-N 3.11Å; V55-N59 PolarHBondContact O-ND2 2.96Å; V55-L87 HydrophobicContact CG2-CD2 3.87Å; V55-R88 HydrophobicContact CG1-CB 4.13Å; V55-R88 HydrophobicContact CG1-CG 4.45Å; V55-L91 HydrophobicContact CB-CD2 3.93Å; V55-L91 HydrophobicContact CG1-CD2 4.04Å; V55-L91 HydrophobicContact CG2-CD2 3.5Å; V55-L91 VanDerWaalsContact CG2-CD2 3.5Å
56E91.4Very high89.2Confident93 Ų9355.8 Ų55.844%0.43531%0.31SS..Hα-helixtrans-65.3-39178.1-65.9-61.1137.600112.2N52 E53 Y54 N59 A60N52-E56 WeakPolarHBondContact O-CG 3.31Å; N52-E56 PolarHBondContact O-N 2.95Å; N52-E56 VanDerWaalsContact O-N 3.09Å; E53-E56 PolarHBondContact O-N 3.26Å; Y54-E56 VanDerWaalsContact C-N 3.34Å; Y54-E56 PolarHBondContact O-N 3.27Å; E56-N59 PolarHBondContact O-N 2.94Å; E56-A60 VanDerWaalsContact O-CB 3.3Å; E56-A60 WeakPolarHBondContact O-CB 3.3Å; E56-A60 PolarHBondContact O-N 3.33Å
57L91.1Very high88.7Confident24 Ų2455.7 Ų55.713%0.12631%0.308CS..Hα-helixtrans-65.5-42.1177.3-77.8176.4000112.8L18 E53 Y54 N59 A60 C62 F64L18-L57 HydrophobicContact CB-CD1 4.09Å; L18-L57 HydrophobicContact CD1-CD1 3.75Å; E53-L57 WeakPolarHBondContact O-CB 3.38Å; E53-L57 WeakPolarHBondContact O-CG 3.19Å; E53-L57 PolarHBondContact O-N 3.44Å; Y54-L57 PolarHBondContact O-N 3.4Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-A60 PolarHBondContact O-N 3.06Å; L57-C62 PolarHBondContact O-SG 3.38Å; L57-F64 HydrophobicContact CB-CD1 4.09Å; L57-F64 HydrophobicContact CB-CD2 4.37Å; L57-F64 HydrophobicContact CB-CE1 4.32Å; L57-F64 HydrophobicContact CB-CG 4.11Å; L57-F64 HydrophobicContact CD1-CD2 4.28Å; L57-F64 HydrophobicContact CD1-CE2 4.1Å; L57-F64 HydrophobicContact CD1-CZ 4.49Å
58V89.9Confident88.1Confident39 Ų3963.8 Ų63.824%0.23635%0.346CS..Hα-helixtrans-68.1-35.3178-179.10000111.3Y54 V55 F64 P66 L91Y54-V58 HydrophobicContact CD1-CG2 4.34Å; Y54-V58 HydrophobicContact CD2-CG2 4.47Å; Y54-V58 HydrophobicContact CE1-CG2 3.98Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 WeakPolarHBondContact O-CG2 2.99Å; Y54-V58 PolarHBondContact O-N 2.97Å; V55-V58 PolarHBondContact O-N 3.03Å; V58-F64 HydrophobicContact CB-CD1 4.47Å; V58-F64 HydrophobicContact CG2-CD1 3.61Å; V58-F64 HydrophobicContact CG2-CE1 3.49Å; V58-F64 VanDerWaalsContact CG2-CE1 3.49Å; V58-P66 HydrophobicContact CG1-CB 4.3Å; V58-P66 HydrophobicContact CG1-CG 4.43Å; V58-P66 HydrophobicContact CG2-CB 3.88Å; V58-L91 HydrophobicContact CB-CD1 3.72Å; V58-L91 HydrophobicContact CG1-CD1 3.45Å; V58-L91 VanDerWaalsContact CG1-CD1 3.45Å; V58-L91 HydrophobicContact CG2-CD1 3.82Å
59N85.5Confident87.8Confident65 Ų6564 Ų6435%0.34835%0.349SS..Hα-helixtrans-79.6-22.9178.5-71.9-35.8000113.2V55 E56 L57V55-N59 WeakPolarHBondContact O-CB 3.32Å; V55-N59 PolarHBondContact O-N 3.47Å; V55-N59 VanDerWaalsContact O-N 3.11Å; V55-N59 PolarHBondContact O-ND2 2.96Å; E56-N59 PolarHBondContact O-N 2.94Å; L57-N59 VanDerWaalsContact C-N 3.31Å
60A85.8Confident87.7Confident45 Ų4559.9 Ų59.937%0.37233%0.333SS..SBendtrans-67.5137.1171.700000109.8E56 L57 C62E56-A60 VanDerWaalsContact O-CB 3.3Å; E56-A60 WeakPolarHBondContact O-CB 3.3Å; E56-A60 PolarHBondContact O-N 3.33Å; L57-A60 PolarHBondContact O-N 3.06Å; A60-C62 HydrophobicContact CB-CB 4.47Å; A60-C62 PolarHBondContact O-N 3.1Å
61A66.3Low87.6Confident121 Ų12159.8 Ų59.8100%133%0.333SS*.SBendtrans-71.453.7175.600000112.2
62C73.3Confident87.5Confident51 Ų5160.7 Ų60.735%0.34534%0.339SS..SBendtrans-115.3160.3-178.768.80000110L57 A60 F64L57-C62 PolarHBondContact O-SG 3.38Å; A60-C62 HydrophobicContact CB-CB 4.47Å; A60-C62 PolarHBondContact O-N 3.1Å; C62-F64 PolarHBondContact O-N 3.5Å
63N79Confident87.5Confident170 Ų17058.7 Ų58.791%0.90933%0.329SS*.SBendtrans-75.859.4178.5-68.5-2.6000110.8
64F85.8Confident87.6Confident25 Ų2555.4 Ų55.411%0.1131%0.313CS..  trans-102.4123.1174.8-176.8-100.7000109L18 R19 Y54 L57 V58 C62 P66L18-F64 HydrophobicContact CB-CE2 4.48Å; R19-F64 HydrophobicContact CG-CD2 4.36Å; R19-F64 HydrophobicContact CG-CE2 4.31Å; Y54-F64 AromaticContact CD2-CE1 3.79Å; Y54-F64 HydrophobicContact CD2-CE1 3.79Å; Y54-F64 AromaticContact CD2-CZ 3.74Å; Y54-F64 HydrophobicContact CD2-CZ 3.74Å; Y54-F64 AromaticContact CE2-CE1 3.56Å; Y54-F64 HydrophobicContact CE2-CE1 3.56Å; Y54-F64 AromaticContact CE2-CZ 3.73Å; Y54-F64 HydrophobicContact CE2-CZ 3.73Å; L57-F64 HydrophobicContact CB-CD1 4.09Å; L57-F64 HydrophobicContact CB-CD2 4.37Å; L57-F64 HydrophobicContact CB-CE1 4.32Å; L57-F64 HydrophobicContact CB-CG 4.11Å; L57-F64 HydrophobicContact CD1-CD2 4.28Å; L57-F64 HydrophobicContact CD1-CE2 4.1Å; L57-F64 HydrophobicContact CD1-CZ 4.49Å; V58-F64 HydrophobicContact CB-CD1 4.47Å; V58-F64 HydrophobicContact CG2-CD1 3.61Å; V58-F64 HydrophobicContact CG2-CE1 3.49Å; V58-F64 VanDerWaalsContact CG2-CE1 3.49Å; C62-F64 PolarHBondContact O-N 3.5Å; F64-P66 WeakPolarHBondContact O-CD 3.5Å
65E84.3Confident87.6Confident181 Ų18157 Ų5785%0.84633%0.325SS*.  trans-92.6111.9175.9-67.6-170.3157.100108.9
66P85.8Confident87.7Confident71 Ų7159.2 Ų59.246%0.46134%0.337SS..  trans-65.8144.2178.725-31.7000111.1Y54 V58 F64Y54-P66 WeakPolarHBondContact OH-CA 3.32Å; Y54-P66 VanDerWaalsContact OH-CB 3.24Å; Y54-P66 WeakPolarHBondContact OH-CB 3.38Å; V58-P66 HydrophobicContact CG1-CB 4.3Å; V58-P66 HydrophobicContact CG1-CG 4.43Å; V58-P66 HydrophobicContact CG2-CB 3.88Å; F64-P66 WeakPolarHBondContact O-CD 3.5Å
67H86.3Confident87.8Confident48 Ų4857 Ų5722%0.22233%0.331CS..  trans-92.5119.2174.9-162.3-68.9000109.7L21 D22 Y54 S69 F70L21-H67 HydrophobicContact CD1-CB 4.41Å; D22-H67 IonicContact OD1-NE2 3.8Å; Y54-H67 PolarHBondContact OH-N 3.22Å; Y54-H67 PolarHBondContact OH-O 3.23Å; H67-S69 PolarHBondContact CE1-OG 3.22Å; H67-S69 PolarHBondContact ND1-N 3.47Å; H67-S69 PolarHBondContact ND1-OG 2.86Å; H67-S69 PolarHBondContact O-N 2.79Å; H67-S69 VanDerWaalsContact O-N 3.16Å; H67-F70 HydrophobicContact CB-CB 4.29Å; H67-F70 WeakPolarHBondContact O-CB 3.14Å; H67-F70 PolarHBondContact O-N 2.7Å
68E85.1Confident87.9Confident170 Ų17065.1 Ų65.179%0.79436%0.359SS*.THydrogen-bonded Turntrans-57.3-35.1-174.2-67.7-170.6162.200113.3
69S89.4Confident88.1Confident20 Ų2064.2 Ų64.214%0.1436%0.355CS..THydrogen-bonded Turntrans-101.722.4178.861.60000114.4E32 L34 H67 F71 S72E32-S69 WeakPolarHBondContact O-CB 3.39Å; E32-S69 PolarHBondContact O-OG 2.88Å; L34-S69 PolarHBondContact N-OG 3.05Å; H67-S69 PolarHBondContact CE1-OG 3.22Å; H67-S69 PolarHBondContact ND1-N 3.47Å; H67-S69 PolarHBondContact ND1-OG 2.86Å; H67-S69 PolarHBondContact O-N 2.79Å; H67-S69 VanDerWaalsContact O-N 3.16Å; S69-F71 VanDerWaalsContact C-N 3.31Å; S69-F71 PolarHBondContact O-N 3.12Å; S69-S72 WeakPolarHBondContact O-CB 3.17Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 PolarHBondContact O-OG 2.86Å
70F94.2Very high88.7Confident1 Ų161.2 Ų61.20%0.00434%0.339CS..G310 helixtrans-49.3-48.3-179.1172.9-107.7000113.3L18 L21 V51 Y54 H67 S72 L73 F74L18-F70 HydrophobicContact CD2-CE2 3.75Å; L18-F70 HydrophobicContact CD2-CZ 4.05Å; L21-F70 HydrophobicContact CD1-CD2 3.69Å; L21-F70 HydrophobicContact CD1-CE2 4.11Å; L21-F70 HydrophobicContact CD2-CE2 4.34Å; V51-F70 HydrophobicContact CG2-CE1 4.08Å; V51-F70 HydrophobicContact CG2-CZ 4.42Å; Y54-F70 AromaticContact CD1-CD1 3.53Å; Y54-F70 HydrophobicContact CD1-CD1 3.53Å; Y54-F70 AromaticContact CD1-CE1 3.59Å; Y54-F70 HydrophobicContact CD1-CE1 3.59Å; Y54-F70 HydrophobicContact CD1-CG 4.14Å; Y54-F70 HydrophobicContact CD1-CZ 4.24Å; Y54-F70 HydrophobicContact CD2-CD1 4.22Å; Y54-F70 AromaticContact CD2-CD2 3.99Å; Y54-F70 HydrophobicContact CD2-CD2 3.99Å; Y54-F70 HydrophobicContact CD2-CE1 4.22Å; Y54-F70 HydrophobicContact CD2-CE2 4Å; Y54-F70 HydrophobicContact CD2-CG 4.09Å; Y54-F70 HydrophobicContact CD2-CZ 4.11Å; Y54-F70 HydrophobicContact CE1-CB 4.21Å; Y54-F70 AromaticContact CE1-CD1 3.65Å; Y54-F70 HydrophobicContact CE1-CD1 3.65Å; Y54-F70 HydrophobicContact CE1-CE1 4.2Å; Y54-F70 AromaticContact CE1-CG 3.98Å; Y54-F70 HydrophobicContact CE1-CG 3.98Å; Y54-F70 HydrophobicContact CE2-CB 4.21Å; Y54-F70 HydrophobicContact CE2-CD1 4.32Å; Y54-F70 HydrophobicContact CE2-CD2 4.06Å; Y54-F70 AromaticContact CE2-CG 3.93Å; Y54-F70 HydrophobicContact CE2-CG 3.93Å; Y54-F70 AromaticContact CG-CD1 3.83Å; Y54-F70 HydrophobicContact CG-CD1 3.83Å; Y54-F70 HydrophobicContact CG-CD2 4.33Å; Y54-F70 AromaticContact CG-CE1 3.59Å; Y54-F70 HydrophobicContact CG-CE1 3.59Å; Y54-F70 HydrophobicContact CG-CE2 4.13Å; Y54-F70 HydrophobicContact CG-CG 4.19Å; Y54-F70 AromaticContact CG-CZ 3.75Å; Y54-F70 HydrophobicContact CG-CZ 3.75Å; Y54-F70 AromaticContact CZ-CG 3.88Å; H67-F70 HydrophobicContact CB-CB 4.29Å; H67-F70 WeakPolarHBondContact O-CB 3.14Å; H67-F70 PolarHBondContact O-N 2.7Å; F70-S72 PolarHBondContact O-N 3.34Å; F70-S72 VanDerWaalsContact O-N 3.14Å; F70-L73 HydrophobicContact CD2-CD1 4.05Å; F70-L73 HydrophobicContact CE2-CD1 4.17Å; F70-L73 VanDerWaalsContact O-CB 3.3Å; F70-L73 WeakPolarHBondContact O-CB 3.32Å; F70-L73 WeakPolarHBondContact O-CG 3.3Å; F70-L73 PolarHBondContact O-N 3.43Å; F70-L73 VanDerWaalsContact O-N 3.15Å; F70-F74 HydrophobicContact CD1-CE2 4.38Å; F70-F74 AromaticContact CE1-CE2 3.78Å; F70-F74 HydrophobicContact CE1-CE2 3.78Å; F70-F74 HydrophobicContact CE1-CZ 4.48Å; F70-F74 HydrophobicContact CE2-CE2 4.14Å; F70-F74 HydrophobicContact CE2-CZ 4.44Å; F70-F74 AromaticContact CZ-CE2 3.66Å; F70-F74 HydrophobicContact CZ-CE2 3.66Å; F70-F74 AromaticContact CZ-CZ 3.97Å; F70-F74 HydrophobicContact CZ-CZ 3.97Å
71F94.8Very high89.2Confident4 Ų465.1 Ų65.12%0.01834%0.344CS..G310 helixtrans-63.8-21.9-177.4-71.8-86.4000113.5V51 S69 L73 F74 L87 D96 A99 I100V51-F71 HydrophobicContact CG1-CE1 4.01Å; S69-F71 VanDerWaalsContact C-N 3.31Å; S69-F71 PolarHBondContact O-N 3.12Å; F71-L73 PolarHBondContact O-N 3.11Å; F71-F74 PolarHBondContact O-N 2.87Å; F71-L87 HydrophobicContact CE1-CD1 4.3Å; F71-L87 HydrophobicContact CE1-CD2 3.87Å; F71-L87 HydrophobicContact CZ-CD1 4.4Å; F71-L87 HydrophobicContact CZ-CD2 3.85Å; F71-D96 HydrophobicContact CB-CB 4.13Å; F71-D96 HydrophobicContact CD2-CB 3.49Å; F71-D96 VanDerWaalsContact CD2-CB 3.49Å; F71-D96 WeakPolarHBondContact CD2-OD1 3.33Å; F71-D96 HydrophobicContact CE2-CB 3.99Å; F71-D96 HydrophobicContact CG-CB 3.81Å; F71-A99 HydrophobicContact CB-CB 4.14Å; F71-I100 HydrophobicContact CB-CG2 4.29Å; F71-I100 HydrophobicContact CD1-CG2 4.22Å
72S94.1Very high90.6Very high19 Ų1959.3 Ų59.313%0.13330%0.296CS..G310 helixtrans-68-18.117872.60000113.8L34 S69 F70 F74 S75L34-S72 CarbonylContact O-C 3.19Å; L34-S72 PolarHBondContact O-OG 3.17Å; S69-S72 WeakPolarHBondContact O-CB 3.17Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 PolarHBondContact O-OG 2.86Å; F70-S72 PolarHBondContact O-N 3.34Å; F70-S72 VanDerWaalsContact O-N 3.14Å; S72-F74 PolarHBondContact O-N 3.12Å; S72-S75 WeakPolarHBondContact O-CB 3.34Å; S72-S75 PolarHBondContact O-N 3.24Å; S72-S75 PolarHBondContact O-OG 3.19Å
73L94.8Very high91.8Very high7 Ų757.8 Ų57.84%0.03729%0.286CS..G310 helixtrans-55-33.3167.6-76.3174.2000112.6L21 L34 L36 F70 F71 T80L21-L73 HydrophobicContact CD2-CD1 3.99Å; L34-L73 HydrophobicContact CD1-CD2 4.43Å; L34-L73 HydrophobicContact CD2-CD1 3.63Å; L34-L73 HydrophobicContact CD2-CD2 4.04Å; L34-L73 HydrophobicContact CD2-CG 3.7Å; L34-L73 HydrophobicContact CG-CD1 4.2Å; L34-L73 HydrophobicContact CG-CD2 3.65Å; L34-L73 HydrophobicContact CG-CG 3.76Å; L34-L73 PolarHBondContact O-N 2.95Å; L36-L73 HydrophobicContact CB-CD2 4.32Å; L36-L73 HydrophobicContact CD1-CD2 4.49Å; F70-L73 HydrophobicContact CD2-CD1 4.05Å; F70-L73 HydrophobicContact CE2-CD1 4.17Å; F70-L73 VanDerWaalsContact O-CB 3.3Å; F70-L73 WeakPolarHBondContact O-CB 3.32Å; F70-L73 WeakPolarHBondContact O-CG 3.3Å; F70-L73 PolarHBondContact O-N 3.43Å; F70-L73 VanDerWaalsContact O-N 3.15Å; F71-L73 PolarHBondContact O-N 3.11Å; L73-T80 WeakPolarHBondContact O-CG2 3.48Å
74F95.9Very high92.6Very high3 Ų355.3 Ų55.31%0.01326%0.264CS..G310 helixtrans-101.122.5-174.7-48.3-82.7000112.5C47 L50 V51 F70 F71 S72 T80 L82 I100 Q103C47-F74 HydrophobicContact CB-CD1 4.01Å; C47-F74 HydrophobicContact CB-CE1 3.87Å; L50-F74 HydrophobicContact CB-CZ 4.11Å; L50-F74 HydrophobicContact CD1-CE1 4.48Å; L50-F74 HydrophobicContact CD1-CZ 4.47Å; V51-F74 HydrophobicContact CG2-CD2 4.09Å; V51-F74 HydrophobicContact CG2-CE1 4.36Å; V51-F74 HydrophobicContact CG2-CE2 3.63Å; V51-F74 HydrophobicContact CG2-CZ 3.78Å; F70-F74 HydrophobicContact CD1-CE2 4.38Å; F70-F74 AromaticContact CE1-CE2 3.78Å; F70-F74 HydrophobicContact CE1-CE2 3.78Å; F70-F74 HydrophobicContact CE1-CZ 4.48Å; F70-F74 HydrophobicContact CE2-CE2 4.14Å; F70-F74 HydrophobicContact CE2-CZ 4.44Å; F70-F74 AromaticContact CZ-CE2 3.66Å; F70-F74 HydrophobicContact CZ-CE2 3.66Å; F70-F74 AromaticContact CZ-CZ 3.97Å; F70-F74 HydrophobicContact CZ-CZ 3.97Å; F71-F74 PolarHBondContact O-N 2.87Å; S72-F74 PolarHBondContact O-N 3.12Å; F74-T80 WeakPolarHBondContact CA-OG1 3.39Å; F74-T80 HydrophobicContact CD1-CG2 4.1Å; F74-L82 HydrophobicContact CB-CD1 3.54Å; F74-L82 HydrophobicContact CB-CG 4.11Å; F74-L82 HydrophobicContact CD1-CD1 4.27Å; F74-L82 HydrophobicContact CD1-CD2 4.15Å; F74-L82 HydrophobicContact CD1-CG 4.17Å; F74-L82 HydrophobicContact CD2-CD1 4.35Å; F74-L82 HydrophobicContact CE1-CD2 4.49Å; F74-L82 HydrophobicContact CG-CD1 3.81Å; F74-L82 HydrophobicContact CG-CD2 4.44Å; F74-L82 HydrophobicContact CG-CG 4.21Å; F74-I100 HydrophobicContact CB-CG2 4.09Å; F74-Q103 PolarHBondContact O-NE2 2.77Å
75S94.4Very high93.1Very high39 Ų3954.2 Ų54.227%0.27326%0.259SS..  trans-80.2-21.4-176.559.80000114.7S72 A99S72-S75 WeakPolarHBondContact O-CB 3.34Å; S72-S75 PolarHBondContact O-N 3.24Å; S72-S75 PolarHBondContact O-OG 3.19Å; S75-A99 VanDerWaalsContact CA-O 3.32Å; S75-A99 WeakPolarHBondContact CA-O 3.42Å; S75-A99 WeakPolarHBondContact CB-O 3.4Å
76D94.6Very high93.6Very high48 Ų4847.8 Ų47.826%0.25723%0.229SC..  trans-103.8109.2178.1-168.8-11.5000111.1R78 S79 T80D76-R78 PolarHBondContact O-N 2.94Å; D76-R78 VanDerWaalsContact O-N 3.13Å; D76-R78 VanDerWaalsContact OD1-CB 3.29Å; D76-R78 WeakPolarHBondContact OD1-CB 3.47Å; D76-R78 WeakPolarHBondContact OD1-CG 3.4Å; D76-R78 IonicContact OD1-CZ 3.83Å; D76-R78 PolarHBondContact OD1-N 2.93Å; D76-R78 IonicContact OD1-NE 2.97Å; D76-R78 PolarHBondContact OD1-NE 2.96Å; D76-R78 IonicContact OD1-NH2 2.83Å; D76-R78 IonicContact OD2-CZ 3.41Å; D76-R78 IonicContact OD2-NE 3.26Å; D76-R78 PolarHBondContact OD2-NE 3.02Å; D76-R78 IonicContact OD2-NH2 2.8Å; D76-R78 PolarHBondContact OD2-NH2 3.44Å; D76-S79 PolarHBondContact O-N 2.95Å; D76-S79 PolarHBondContact O-OG 3.21Å; D76-T80 PolarHBondContact O-N 3.4Å; D76-T80 PolarHBondContact O-OG1 3.46Å
77P94.1Very high94Very high46 Ų4644.4 Ų44.430%0.29921%0.207SC..THydrogen-bonded Turntrans-69.9-6.1-179.629.4-35.8000113.6T80 K102P77-T80 CarbonylContact C-O 3.18Å; P77-T80 VanDerWaalsContact C-O 3.27Å; P77-T80 VanDerWaalsContact CA-O 3.23Å; P77-T80 WeakPolarHBondContact CA-O 3.03Å; P77-T80 VanDerWaalsContact O-O 3.08Å; P77-K102 HydrophobicContact CG-CB 4.29Å
78R93.3Very high94.2Very high194 Ų19446.7 Ų46.773%0.73221%0.213SC*.THydrogen-bonded Turntrans-81.9-30.3175.5-59.6173.8-63.9169.96.5112.2F41 D76F41-R78 WeakPolarHBondContact CD1-O 3.5Å; D76-R78 PolarHBondContact O-N 2.94Å; D76-R78 VanDerWaalsContact O-N 3.13Å; D76-R78 VanDerWaalsContact OD1-CB 3.29Å; D76-R78 WeakPolarHBondContact OD1-CB 3.47Å; D76-R78 WeakPolarHBondContact OD1-CG 3.4Å; D76-R78 IonicContact OD1-CZ 3.83Å; D76-R78 PolarHBondContact OD1-N 2.93Å; D76-R78 IonicContact OD1-NE 2.97Å; D76-R78 PolarHBondContact OD1-NE 2.96Å; D76-R78 IonicContact OD1-NH2 2.83Å; D76-R78 IonicContact OD2-CZ 3.41Å; D76-R78 IonicContact OD2-NE 3.26Å; D76-R78 PolarHBondContact OD2-NE 3.02Å; D76-R78 IonicContact OD2-NH2 2.8Å; D76-R78 PolarHBondContact OD2-NH2 3.44Å
79S94.6Very high94.2Very high21 Ų2142.5 Ų42.515%0.14719%0.194CC..THydrogen-bonded Turntrans-104.6-22.1180590000113F41 L42 D76F41-S79 CarbonylContact C-O 3.45Å; F41-S79 WeakPolarHBondContact CA-O 3.28Å; L42-S79 PolarHBondContact N-O 2.98Å; D76-S79 PolarHBondContact O-N 2.95Å; D76-S79 PolarHBondContact O-OG 3.21Å
80T96.4Very high93.9Very high2 Ų244.4 Ų44.41%0.01220%0.202CC..  trans-131.4156.8179.860.70000110.8L36 L73 F74 D76 P77 Q103L36-T80 HydrophobicContact CD2-CG2 3.77Å; L73-T80 WeakPolarHBondContact O-CG2 3.48Å; F74-T80 WeakPolarHBondContact CA-OG1 3.39Å; F74-T80 HydrophobicContact CD1-CG2 4.1Å; D76-T80 PolarHBondContact O-N 3.4Å; D76-T80 PolarHBondContact O-OG1 3.46Å; P77-T80 CarbonylContact C-O 3.18Å; P77-T80 VanDerWaalsContact C-O 3.27Å; P77-T80 VanDerWaalsContact CA-O 3.23Å; P77-T80 WeakPolarHBondContact CA-O 3.03Å; P77-T80 VanDerWaalsContact O-O 3.08Å; T80-Q103 PolarHBondContact OG1-NE2 3Å
81R96.3Very high93.4Very high126 Ų12645.7 Ų45.748%0.47521%0.209SC..  trans-140.9110.9175.4-166.8-176.7-45.9-81.7-10.7109.4S44 C47 T83S44-R81 VanDerWaalsContact CA-O 3.23Å; S44-R81 WeakPolarHBondContact CA-O 3.38Å; C47-R81 WeakPolarHBondContact CB-O 3.43Å; R81-T83 HydrophobicContact CG-CG2 4.21Å
82L97.1Very high93.2Very high0 Ų045.5 Ų45.50%021%0.208CC..  trans-97.2134.2170.1-70.5172.3000109.5C47 D48 V51 F74 I85 I100 Q103 L105C47-L82 HydrophobicContact CB-CD2 3.56Å; C47-L82 HydrophobicContact CB-CG 4.24Å; D48-L82 WeakPolarHBondContact OD1-CA 3.41Å; V51-L82 HydrophobicContact CG2-CD1 4.39Å; V51-L82 HydrophobicContact CG2-CD2 3.69Å; F74-L82 HydrophobicContact CB-CD1 3.54Å; F74-L82 HydrophobicContact CB-CG 4.11Å; F74-L82 HydrophobicContact CD1-CD1 4.27Å; F74-L82 HydrophobicContact CD1-CD2 4.15Å; F74-L82 HydrophobicContact CD1-CG 4.17Å; F74-L82 HydrophobicContact CD2-CD1 4.35Å; F74-L82 HydrophobicContact CE1-CD2 4.49Å; F74-L82 HydrophobicContact CG-CD1 3.81Å; F74-L82 HydrophobicContact CG-CD2 4.44Å; F74-L82 HydrophobicContact CG-CG 4.21Å; L82-I85 HydrophobicContact CD2-CG2 3.89Å; L82-I100 HydrophobicContact CD1-CB 4.24Å; L82-I100 HydrophobicContact CD1-CD1 4.44Å; L82-I100 HydrophobicContact CD1-CG2 3.79Å; L82-Q103 HydrophobicContact CB-CB 4.15Å; L82-Q103 HydrophobicContact CB-CG 4.12Å; L82-Q103 HydrophobicContact CD1-CG 4.22Å; L82-Q103 HydrophobicContact CG-CG 4.44Å; L82-L105 HydrophobicContact CB-CD2 3.6Å
83T96.8Very high93.1Very high19 Ų1948.5 Ų48.512%0.11722%0.22CC..  trans-126.8-39.9177.970.70000112.7D48 R81 V106 E107D48-T83 PolarHBondContact OD1-N 3.4Å; D48-T83 PolarHBondContact OD2-OG1 2.83Å; R81-T83 HydrophobicContact CG-CG2 4.21Å; T83-V106 WeakPolarHBondContact O-CA 3.42Å; T83-V106 PolarHBondContact O-N 2.95Å; T83-E107 PolarHBondContact O-N 3.44Å
84R97.1Very high93.1Very high118 Ų11849.7 Ų49.745%0.44523%0.227SC..EExtended strand (participates in β ladder)trans-137.8110.6-175.7-59.9-174.3-17879.50.8110.8D48 N52 E107D48-R84 WeakPolarHBondContact CB-O 3.3Å; D48-R84 VanDerWaalsContact CG-N 3.3Å; D48-R84 VanDerWaalsContact CG-O 3.3Å; D48-R84 PolarHBondContact OD1-N 3.04Å; D48-R84 PolarHBondContact OD2-N 2.84Å; N52-R84 PolarHBondContact ND2-O 3.04Å; R84-E107 WeakPolarHBondContact CA-O 3.34Å; R84-E107 HydrophobicContact CB-CB 4.37Å; R84-E107 WeakPolarHBondContact CD-OE2 3.46Å; R84-E107 HydrophobicContact CG-CB 4Å; R84-E107 HydrophobicContact CG-CG 4.13Å; R84-E107 IonicContact CZ-OE1 3.83Å; R84-E107 IonicContact NE-OE1 3.88Å; R84-E107 PolarHBondContact NE-OE1 2.79Å; R84-E107 IonicContact NE-OE2 3.3Å; R84-E107 IonicContact NH2-OE1 3.92Å
85I95.5Very high92.9Very high1 Ų154.9 Ų54.91%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-130139.9-17963.7178.2000111.5V51 L82 L87 I100 L105 E107 L108 Y109V51-I85 HydrophobicContact CB-CG2 4.15Å; V51-I85 HydrophobicContact CG1-CB 4.12Å; V51-I85 HydrophobicContact CG1-CG2 3.9Å; L82-I85 HydrophobicContact CD2-CG2 3.89Å; I85-L87 HydrophobicContact CD1-CD1 4.36Å; I85-L87 HydrophobicContact CD1-CG 4.45Å; I85-I100 HydrophobicContact CD1-CD1 3.48Å; I85-I100 VanDerWaalsContact CD1-CD1 3.48Å; I85-L105 HydrophobicContact CD1-CD1 3.97Å; I85-L105 HydrophobicContact CD1-CD2 4.09Å; I85-L105 HydrophobicContact CG1-CD1 4.47Å; I85-L105 HydrophobicContact CG1-CD2 4.32Å; I85-E107 PolarHBondContact N-O 3.07Å; I85-E107 VanDerWaalsContact N-O 3.14Å; I85-L108 HydrophobicContact CD1-CD1 3.76Å; I85-L108 HydrophobicContact CG1-CD1 3.5Å; I85-Y109 PolarHBondContact O-N 3.45Å
86H95.4Very high92.9Very high47 Ų4753.6 Ų53.622%0.21824%0.241CC..EExtended strand (participates in β ladder)trans-116.6106.6172.2-164159.4000109.1N52 R88 Y109 T111N52-H86 PolarHBondContact OD1-N 3.48Å; H86-R88 WeakPolarHBondContact CD2-CG 3.23Å; H86-R88 PolarHBondContact CD2-NE 3.16Å; H86-R88 PolarHBondContact CE1-NE 3.08Å; H86-R88 PolarHBondContact CE1-NH2 3.23Å; H86-R88 PolarHBondContact ND1-NE 2.72Å; H86-R88 PolarHBondContact ND1-NH2 3.49Å; H86-R88 PolarHBondContact NE2-NE 3.02Å; H86-Y109 VanDerWaalsContact CD2-CB 3.43Å; H86-Y109 WeakPolarHBondContact CD2-CB 3.4Å; H86-Y109 PolarHBondContact CD2-O 3.37Å; H86-T111 PolarHBondContact NE2-OG1 3.44Å
87L93.9Very high92.9Very high0 Ų051.3 Ų51.30%023%0.229CC..EExtended strand (participates in β ladder)trans-99.3132.9173.9-46.1-177.5000108.8V51 V55 F71 I85 V92 L97 Y109 L110 T111V51-L87 HydrophobicContact CG1-CD2 3.8Å; V55-L87 HydrophobicContact CG2-CD2 3.87Å; F71-L87 HydrophobicContact CE1-CD1 4.3Å; F71-L87 HydrophobicContact CE1-CD2 3.87Å; F71-L87 HydrophobicContact CZ-CD1 4.4Å; F71-L87 HydrophobicContact CZ-CD2 3.85Å; I85-L87 HydrophobicContact CD1-CD1 4.36Å; I85-L87 HydrophobicContact CD1-CG 4.45Å; L87-V92 HydrophobicContact CB-CB 4.47Å; L87-V92 HydrophobicContact CB-CG1 4.12Å; L87-V92 HydrophobicContact CD1-CB 4.06Å; L87-V92 HydrophobicContact CD1-CG1 4.23Å; L87-V92 HydrophobicContact CD1-CG2 3.68Å; L87-L97 HydrophobicContact CD1-CD2 4.44Å; L87-Y109 PolarHBondContact N-O 3.14Å; L87-L110 HydrophobicContact CB-CD2 3.78Å; L87-L110 HydrophobicContact CD1-CD2 3.82Å; L87-L110 HydrophobicContact CG-CD2 4.04Å; L87-L110 WeakPolarHBondContact O-CA 3.33Å; L87-T111 PolarHBondContact O-N 2.99Å
88R90.8Very high92.9Very high95 Ų9552.5 Ų52.536%0.35823%0.23SC..EExtended strand (participates in β ladder)trans-136.8150.4-175.6-56-169.8-177.8177.23.2111V55 H86 T111V55-R88 HydrophobicContact CG1-CB 4.13Å; V55-R88 HydrophobicContact CG1-CG 4.45Å; H86-R88 WeakPolarHBondContact CD2-CG 3.23Å; H86-R88 PolarHBondContact CD2-NE 3.16Å; H86-R88 PolarHBondContact CE1-NE 3.08Å; H86-R88 PolarHBondContact CE1-NH2 3.23Å; H86-R88 PolarHBondContact ND1-NE 2.72Å; H86-R88 PolarHBondContact ND1-NH2 3.49Å; H86-R88 PolarHBondContact NE2-NE 3.02Å; R88-T111 CarbonylContact C-O 3.26Å; R88-T111 VanDerWaalsContact CA-O 3.24Å; R88-T111 WeakPolarHBondContact CA-O 3.37Å
89E84.4Confident93Very high82 Ų8244.5 Ų44.538%0.38321%0.206SC..G310 helixtrans58.6-178.6-179.1-49.4-56.8141.400111L91 T111 N112 C113E89-L91 PolarHBondContact O-N 3.4Å; E89-T111 PolarHBondContact N-O 3.05Å; E89-N112 CarbonylContact C-O 3.38Å; E89-N112 VanDerWaalsContact CA-O 3.27Å; E89-N112 WeakPolarHBondContact CA-O 3.43Å; E89-N112 PolarHBondContact OE1-ND2 2.79Å; E89-C113 PolarHBondContact O-SG 2.92Å
90D82.6Confident93Very high61 Ų6143.5 Ų43.533%0.32620%0.199SC..G310 helixtrans-70.732.1-178.9-83.9-23000114.6E114 K115D90-E114 VanDerWaalsContact OD1-CA 3.27Å; D90-E114 WeakPolarHBondContact OD1-CA 3.35Å; D90-E114 VanDerWaalsContact OD1-CB 3.25Å; D90-E114 WeakPolarHBondContact OD1-CB 3.21Å; D90-E114 PolarHBondContact OD1-N 3.04Å; D90-K115 HydrophobicContact CB-CD 4.1Å; D90-K115 HydrophobicContact CB-CG 4.13Å; D90-K115 WeakPolarHBondContact O-CD 3.4Å; D90-K115 WeakPolarHBondContact O-CE 3.43Å; D90-K115 PolarHBondContact O-NZ 3.45Å; D90-K115 PolarHBondContact OD1-N 3.48Å
91L85.6Confident93Very high28 Ų2849 Ų4915%0.14722%0.219CC..G310 helixtrans-69.8-45.4174.1179.471000111.6Y54 V55 V58 E89Y54-L91 HydrophobicContact CD1-CD2 4.27Å; Y54-L91 HydrophobicContact CE1-CD1 4.09Å; Y54-L91 HydrophobicContact CE1-CD2 4.21Å; V55-L91 HydrophobicContact CB-CD2 3.93Å; V55-L91 HydrophobicContact CG1-CD2 4.04Å; V55-L91 HydrophobicContact CG2-CD2 3.5Å; V55-L91 VanDerWaalsContact CG2-CD2 3.5Å; V58-L91 HydrophobicContact CB-CD1 3.72Å; V58-L91 HydrophobicContact CG1-CD1 3.45Å; V58-L91 VanDerWaalsContact CG1-CD1 3.45Å; V58-L91 HydrophobicContact CG2-CD1 3.82Å; E89-L91 PolarHBondContact O-N 3.4Å
92V90.1Very high93Very high0 Ų049.1 Ų49.10%022%0.223CC..  trans-94.7135.5-16962.30000111.2L87 D96 L97 C113 K115 L116L87-V92 HydrophobicContact CB-CB 4.47Å; L87-V92 HydrophobicContact CB-CG1 4.12Å; L87-V92 HydrophobicContact CD1-CB 4.06Å; L87-V92 HydrophobicContact CD1-CG1 4.23Å; L87-V92 HydrophobicContact CD1-CG2 3.68Å; V92-D96 HydrophobicContact CG2-CB 3.69Å; V92-L97 HydrophobicContact CG2-CG 4.23Å; V92-C113 HydrophobicContact CG1-CB 3.75Å; V92-C113 VanDerWaalsContact CG1-SG 3.52Å; V92-K115 WeakPolarHBondContact O-CB 3.43Å; V92-L116 HydrophobicContact CB-CD2 4.47Å; V92-L116 HydrophobicContact CG1-CD1 4.12Å; V92-L116 HydrophobicContact CG1-CD2 3.92Å; V92-L116 HydrophobicContact CG1-CG 4.16Å; V92-L116 HydrophobicContact CG2-CD2 4.14Å
93Q92.3Very high92.9Very high82 Ų8249.4 Ų49.438%0.38322%0.224SC..  trans-111.9168.7173.1-58.9-176.712.700111.1Q95 D96 L97 K115Q93-Q95 HydrophobicContact CB-CG 4.09Å; Q93-Q95 PolarHBondContact O-N 3.32Å; Q93-Q95 VanDerWaalsContact O-N 3.17Å; Q93-D96 PolarHBondContact N-OD2 2.64Å; Q93-D96 WeakPolarHBondContact O-CB 3.45Å; Q93-D96 PolarHBondContact O-N 3.29Å; Q93-L97 PolarHBondContact O-N 3.5Å; Q93-K115 HydrophobicContact CG-CB 4.41Å; Q93-K115 HydrophobicContact CG-CD 4.05Å
94D93.6Very high92.8Very high32 Ų3253 Ų5317%0.17124%0.243CC..Hα-helixtrans-53.3-38.3176.8-66.8-30.5000112.7D96 L97 E98 S117 K119 S120D94-D96 VanDerWaalsContact C-N 3.26Å; D94-D96 PolarHBondContact O-N 3.31Å; D94-L97 PolarHBondContact O-N 3.03Å; D94-E98 WeakPolarHBondContact O-CB 3.29Å; D94-E98 PolarHBondContact O-N 3.31Å; D94-S117 PolarHBondContact OD1-N 3.09Å; D94-S117 PolarHBondContact OD1-OG 3.45Å; D94-S117 WeakPolarHBondContact OD2-CB 3.26Å; D94-S117 PolarHBondContact OD2-OG 2.79Å; D94-K119 HydrophobicContact CB-CB 4.28Å; D94-S120 WeakPolarHBondContact CA-OG 3.42Å; D94-S120 WeakPolarHBondContact OD1-CB 3.29Å; D94-S120 PolarHBondContact OD1-N 2.52Å; D94-S120 PolarHBondContact OD1-OG 3.04Å
95Q93Very high92.8Very high112 Ų11247.4 Ų47.452%0.52322%0.222SC..Hα-helixtrans-63.8-30.417967.517920.600113.3Q93 E98 A99Q93-Q95 HydrophobicContact CB-CG 4.09Å; Q93-Q95 PolarHBondContact O-N 3.32Å; Q93-Q95 VanDerWaalsContact O-N 3.17Å; Q95-E98 PolarHBondContact O-N 3.05Å; Q95-A99 WeakPolarHBondContact O-CB 3.47Å; Q95-A99 PolarHBondContact O-N 2.87Å
96D93.7Very high92.9Very high12 Ų1249.2 Ų49.26%0.06423%0.233CC..Hα-helixtrans-75.6-43-177.2-63.9-48000110.8F71 V92 Q93 D94 E98 A99 I100F71-D96 HydrophobicContact CB-CB 4.13Å; F71-D96 HydrophobicContact CD2-CB 3.49Å; F71-D96 VanDerWaalsContact CD2-CB 3.49Å; F71-D96 WeakPolarHBondContact CD2-OD1 3.33Å; F71-D96 HydrophobicContact CE2-CB 3.99Å; F71-D96 HydrophobicContact CG-CB 3.81Å; V92-D96 HydrophobicContact CG2-CB 3.69Å; Q93-D96 PolarHBondContact N-OD2 2.64Å; Q93-D96 WeakPolarHBondContact O-CB 3.45Å; Q93-D96 PolarHBondContact O-N 3.29Å; D94-D96 VanDerWaalsContact C-N 3.26Å; D94-D96 PolarHBondContact O-N 3.31Å; D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 3.25Å; D96-A99 WeakPolarHBondContact O-CB 3.35Å; D96-A99 PolarHBondContact O-N 3.32Å; D96-I100 PolarHBondContact O-N 2.99Å
97L94.1Very high93.1Very high0 Ų049.4 Ų49.40%023%0.234CC..Hα-helixtrans-62.2-40.4170.6-83.2174.4000110.8L87 V92 Q93 D94 A99 I100 R101 L108 L110 L116 S120 T123L87-L97 HydrophobicContact CD1-CD2 4.44Å; V92-L97 HydrophobicContact CG2-CG 4.23Å; Q93-L97 PolarHBondContact O-N 3.5Å; D94-L97 PolarHBondContact O-N 3.03Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.32Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 VanDerWaalsContact O-CG1 3.29Å; L97-I100 WeakPolarHBondContact O-CG1 3.42Å; L97-I100 PolarHBondContact O-N 3.47Å; L97-R101 PolarHBondContact O-N 3.14Å; L97-L108 HydrophobicContact CD2-CD2 4.49Å; L97-L110 HydrophobicContact CD1-CD1 4.41Å; L97-L116 HydrophobicContact CD1-CD1 3.84Å; L97-L116 HydrophobicContact CD1-CD2 3.89Å; L97-L116 HydrophobicContact CD1-CG 4.48Å; L97-S120 WeakPolarHBondContact CD1-OG 3.48Å; L97-T123 HydrophobicContact CB-CG2 4.22Å; L97-T123 WeakPolarHBondContact O-CG2 3.36Å
98E95.3Very high93.2Very high70 Ų7049.4 Ų49.433%0.32723%0.234SC..Hα-helixtrans-64.6-36.1178-171.761.4-166.500112.3D94 Q95 D96 I100 R101 T123D94-E98 WeakPolarHBondContact O-CB 3.29Å; D94-E98 PolarHBondContact O-N 3.31Å; Q95-E98 PolarHBondContact O-N 3.05Å; D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 3.25Å; E98-I100 PolarHBondContact O-N 2.91Å; E98-R101 VanDerWaalsContact CD-CD 3.5Å; E98-R101 VanDerWaalsContact O-CB 3.31Å; E98-R101 WeakPolarHBondContact O-CB 3.2Å; E98-R101 WeakPolarHBondContact O-CD 3.44Å; E98-R101 VanDerWaalsContact O-CG 3.3Å; E98-R101 WeakPolarHBondContact O-CG 3.47Å; E98-R101 PolarHBondContact O-N 3.04Å; E98-R101 WeakPolarHBondContact OE1-CD 3.43Å; E98-R101 IonicContact OE1-CZ 3.68Å; E98-R101 IonicContact OE1-NE 2.87Å; E98-R101 IonicContact OE1-NH1 3.96Å; E98-R101 PolarHBondContact OE1-NH1 3.27Å; E98-T123 WeakPolarHBondContact OE2-CG2 3.38Å; E98-T123 PolarHBondContact OE2-OG1 2.99Å
99A94.7Very high93.5Very high26 Ų2648.4 Ų48.422%0.21523%0.231CC..Hα-helixtrans-59.6-34.8176.300000112.2F71 S75 Q95 D96 L97F71-A99 HydrophobicContact CB-CB 4.14Å; S75-A99 VanDerWaalsContact CA-O 3.32Å; S75-A99 WeakPolarHBondContact CA-O 3.42Å; S75-A99 WeakPolarHBondContact CB-O 3.4Å; Q95-A99 WeakPolarHBondContact O-CB 3.47Å; Q95-A99 PolarHBondContact O-N 2.87Å; D96-A99 WeakPolarHBondContact O-CB 3.35Å; D96-A99 PolarHBondContact O-N 3.32Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.32Å
100I95.4Very high94Very high1 Ų144.5 Ų44.51%0.00521%0.212CC..THydrogen-bonded Turntrans-98.68.4-179.366.6172.4000113.8F71 F74 L82 I85 D96 L97 E98 K102 Q103 L105 F127F71-I100 HydrophobicContact CB-CG2 4.29Å; F71-I100 HydrophobicContact CD1-CG2 4.22Å; F74-I100 HydrophobicContact CB-CG2 4.09Å; L82-I100 HydrophobicContact CD1-CB 4.24Å; L82-I100 HydrophobicContact CD1-CD1 4.44Å; L82-I100 HydrophobicContact CD1-CG2 3.79Å; I85-I100 HydrophobicContact CD1-CD1 3.48Å; I85-I100 VanDerWaalsContact CD1-CD1 3.48Å; D96-I100 PolarHBondContact O-N 2.99Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 VanDerWaalsContact O-CG1 3.29Å; L97-I100 WeakPolarHBondContact O-CG1 3.42Å; L97-I100 PolarHBondContact O-N 3.47Å; E98-I100 PolarHBondContact O-N 2.91Å; I100-K102 PolarHBondContact O-N 3.24Å; I100-Q103 HydrophobicContact CB-CG 4.13Å; I100-Q103 VanDerWaalsContact O-CB 3.28Å; I100-Q103 WeakPolarHBondContact O-CB 3.48Å; I100-Q103 WeakPolarHBondContact O-CG 3.37Å; I100-Q103 PolarHBondContact O-N 2.61Å; I100-L105 HydrophobicContact CD1-CD1 4.21Å; I100-F127 HydrophobicContact CG1-CZ 4.33Å; I100-F127 WeakPolarHBondContact O-CE1 3.27Å
101R95.7Very high94.6Very high118 Ų11842.7 Ų42.745%0.44520%0.204SC..THydrogen-bonded Turntrans-54.9-22.1-175.979.6-173.7-162.3-179.7-0.2115.6L97 E98 T123 S126L97-R101 PolarHBondContact O-N 3.14Å; E98-R101 VanDerWaalsContact CD-CD 3.5Å; E98-R101 VanDerWaalsContact O-CB 3.31Å; E98-R101 WeakPolarHBondContact O-CB 3.2Å; E98-R101 WeakPolarHBondContact O-CD 3.44Å; E98-R101 VanDerWaalsContact O-CG 3.3Å; E98-R101 WeakPolarHBondContact O-CG 3.47Å; E98-R101 PolarHBondContact O-N 3.04Å; E98-R101 WeakPolarHBondContact OE1-CD 3.43Å; E98-R101 IonicContact OE1-CZ 3.68Å; E98-R101 IonicContact OE1-NE 2.87Å; E98-R101 IonicContact OE1-NH1 3.96Å; E98-R101 PolarHBondContact OE1-NH1 3.27Å; R101-T123 HydrophobicContact CB-CG2 3.82Å; R101-S126 WeakPolarHBondContact O-CB 3.24Å
102K95.7Very high95Very high127 Ų12743.7 Ų43.755%0.55221%0.209SC*.THydrogen-bonded Turntrans-92-1.8-178-62.9-179.2-175.1170.10113.2P77 I100P77-K102 HydrophobicContact CG-CB 4.29Å; I100-K102 PolarHBondContact O-N 3.24Å
103Q96.4Very high95.1Very high6 Ų643.7 Ų43.73%0.02821%0.209CC..SBendtrans-81.2147.7179.3-64.7-66.7-30.300110.7F74 T80 L82 I100 L105 F127F74-Q103 PolarHBondContact O-NE2 2.77Å; T80-Q103 PolarHBondContact OG1-NE2 3Å; L82-Q103 HydrophobicContact CB-CB 4.15Å; L82-Q103 HydrophobicContact CB-CG 4.12Å; L82-Q103 HydrophobicContact CD1-CG 4.22Å; L82-Q103 HydrophobicContact CG-CG 4.44Å; I100-Q103 HydrophobicContact CB-CG 4.13Å; I100-Q103 VanDerWaalsContact O-CB 3.28Å; I100-Q103 WeakPolarHBondContact O-CB 3.48Å; I100-Q103 WeakPolarHBondContact O-CG 3.37Å; I100-Q103 PolarHBondContact O-N 2.61Å; Q103-L105 VanDerWaalsContact C-N 3.28Å; Q103-L105 HydrophobicContact CB-CD2 4.32Å; Q103-L105 HydrophobicContact CB-CG 4.37Å; Q103-L105 PolarHBondContact O-N 2.8Å; Q103-L105 VanDerWaalsContact O-N 3.12Å; Q103-F127 WeakPolarHBondContact O-CD1 3.09Å
104D94.6Very high95.1Very high95 Ų9544.7 Ų44.751%0.50821%0.214SC..  trans-88.464.3178.1-65.2-38.8000110.4V106 T130D104-V106 PolarHBondContact O-N 3.06Å; D104-T130 HydrophobicContact CB-CG2 3.86Å
105L96.9Very high95Very high0 Ų048.2 Ų48.20%023%0.228CC..  trans-62.7134-179-63.5-177.7000111L82 I85 I100 Q103 L108 F127 T130 L131L82-L105 HydrophobicContact CB-CD2 3.6Å; I85-L105 HydrophobicContact CD1-CD1 3.97Å; I85-L105 HydrophobicContact CD1-CD2 4.09Å; I85-L105 HydrophobicContact CG1-CD1 4.47Å; I85-L105 HydrophobicContact CG1-CD2 4.32Å; I100-L105 HydrophobicContact CD1-CD1 4.21Å; Q103-L105 VanDerWaalsContact C-N 3.28Å; Q103-L105 HydrophobicContact CB-CD2 4.32Å; Q103-L105 HydrophobicContact CB-CG 4.37Å; Q103-L105 PolarHBondContact O-N 2.8Å; Q103-L105 VanDerWaalsContact O-N 3.12Å; L105-L108 HydrophobicContact CD1-CD1 4.47Å; L105-L108 HydrophobicContact CD1-CD2 4.25Å; L105-F127 HydrophobicContact CB-CD1 4.16Å; L105-F127 HydrophobicContact CB-CG 4.34Å; L105-F127 HydrophobicContact CD1-CD1 4.01Å; L105-F127 HydrophobicContact CD1-CD2 4.09Å; L105-F127 HydrophobicContact CD1-CE1 3.79Å; L105-F127 HydrophobicContact CD1-CE2 3.91Å; L105-F127 HydrophobicContact CD1-CG 4.16Å; L105-F127 HydrophobicContact CD1-CZ 3.75Å; L105-F127 HydrophobicContact CG-CD1 4.03Å; L105-F127 HydrophobicContact CG-CE1 4.01Å; L105-F127 HydrophobicContact CG-CG 4.49Å; L105-F127 HydrophobicContact CG-CZ 4.46Å; L105-T130 CarbonylContact O-C 3.45Å; L105-T130 WeakPolarHBondContact O-CB 3.33Å; L105-T130 PolarHBondContact O-OG1 2.83Å; L105-L131 HydrophobicContact CB-CD1 4.15Å; L105-L131 WeakPolarHBondContact O-CA 3.22Å; L105-L131 PolarHBondContact O-N 3.37Å
106V97.5Very high95Very high40 Ų4042.9 Ų42.924%0.24220%0.203CC..SBendtrans-103-42.3178.3-177.10000110.3T83 D104 V132 S133T83-V106 WeakPolarHBondContact O-CA 3.42Å; T83-V106 PolarHBondContact O-N 2.95Å; D104-V106 PolarHBondContact O-N 3.06Å; V106-V132 HydrophobicContact CG1-CB 4.07Å; V106-V132 HydrophobicContact CG1-CG2 3.86Å; V106-V132 PolarHBondContact O-N 3.23Å; V106-S133 PolarHBondContact O-N 3.27Å; V106-S133 VanDerWaalsContact O-N 3.13Å
107E97.8Very high94.9Very high50 Ų5043.1 Ų43.123%0.23421%0.206CC..EExtended strand (participates in β ladder)trans-131.7125.5178.3-56.6169.2-154.500109.9T83 R84 I85 Y109 S133T83-E107 PolarHBondContact O-N 3.44Å; R84-E107 WeakPolarHBondContact CA-O 3.34Å; R84-E107 HydrophobicContact CB-CB 4.37Å; R84-E107 WeakPolarHBondContact CD-OE2 3.46Å; R84-E107 HydrophobicContact CG-CB 4Å; R84-E107 HydrophobicContact CG-CG 4.13Å; R84-E107 IonicContact CZ-OE1 3.83Å; R84-E107 IonicContact NE-OE1 3.88Å; R84-E107 PolarHBondContact NE-OE1 2.79Å; R84-E107 IonicContact NE-OE2 3.3Å; R84-E107 IonicContact NH2-OE1 3.92Å; I85-E107 PolarHBondContact N-O 3.07Å; I85-E107 VanDerWaalsContact N-O 3.14Å; E107-Y109 HydrophobicContact CB-CE2 3.77Å; E107-S133 WeakPolarHBondContact CA-O 3.27Å
108L97Very high94.8Very high0 Ų044.3 Ų44.30%022%0.215CC..EExtended strand (participates in β ladder)trans-128.6119.3178.3178.557.3000110.1I85 L97 L105 L110 L124 F127 L131 S133 L134 S135I85-L108 HydrophobicContact CD1-CD1 3.76Å; I85-L108 HydrophobicContact CG1-CD1 3.5Å; L97-L108 HydrophobicContact CD2-CD2 4.49Å; L105-L108 HydrophobicContact CD1-CD1 4.47Å; L105-L108 HydrophobicContact CD1-CD2 4.25Å; L108-L110 HydrophobicContact CD1-CD2 3.88Å; L108-L110 HydrophobicContact CD1-CG 4.22Å; L108-L110 HydrophobicContact CD2-CD1 4.43Å; L108-L110 HydrophobicContact CG-CD2 4.34Å; L108-L110 HydrophobicContact CG-CG 4.15Å; L108-L124 HydrophobicContact CD2-CD2 3.27Å; L108-F127 HydrophobicContact CD2-CD2 4.46Å; L108-L131 HydrophobicContact CB-CD1 3.78Å; L108-S133 PolarHBondContact N-O 3.03Å; L108-L134 HydrophobicContact CB-CD1 4.17Å; L108-L134 HydrophobicContact CD2-CD1 4.14Å; L108-L134 HydrophobicContact CG-CD1 4.12Å; L108-L134 WeakPolarHBondContact O-CA 3.37Å; L108-S135 PolarHBondContact O-N 3.36Å
109Y96.4Very high94.7Very high74 Ų7446.3 Ų46.329%0.2922%0.223SC..EExtended strand (participates in β ladder)trans-114118.9175.7-56.9-93.3000109.1I85 H86 L87 E107 S135I85-Y109 PolarHBondContact O-N 3.45Å; H86-Y109 VanDerWaalsContact CD2-CB 3.43Å; H86-Y109 WeakPolarHBondContact CD2-CB 3.4Å; H86-Y109 PolarHBondContact CD2-O 3.37Å; L87-Y109 PolarHBondContact N-O 3.14Å; E107-Y109 HydrophobicContact CB-CE2 3.77Å; Y109-S135 VanDerWaalsContact CD1-CB 3.45Å
110L95.4Very high94.6Very high0 Ų045.1 Ų45.10%021%0.213CC..EExtended strand (participates in β ladder)trans-115.5121.8174.5-57.9177.1000108L87 L97 L108 L116 S135 L136 F137L87-L110 HydrophobicContact CB-CD2 3.78Å; L87-L110 HydrophobicContact CD1-CD2 3.82Å; L87-L110 HydrophobicContact CG-CD2 4.04Å; L87-L110 WeakPolarHBondContact O-CA 3.33Å; L97-L110 HydrophobicContact CD1-CD1 4.41Å; L108-L110 HydrophobicContact CD1-CD2 3.88Å; L108-L110 HydrophobicContact CD1-CG 4.22Å; L108-L110 HydrophobicContact CD2-CD1 4.43Å; L108-L110 HydrophobicContact CG-CD2 4.34Å; L108-L110 HydrophobicContact CG-CG 4.15Å; L110-L116 HydrophobicContact CD1-CD1 3.8Å; L110-L116 HydrophobicContact CD2-CD1 4.36Å; L110-S135 PolarHBondContact N-O 2.74Å; L110-L136 HydrophobicContact CB-CD2 3.96Å; L110-L136 HydrophobicContact CD1-CD2 3.62Å; L110-L136 HydrophobicContact CG-CD2 4.16Å; L110-F137 PolarHBondContact O-N 3.23Å
111T95.3Very high94.3Very high24 Ų2448.7 Ų48.715%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-131119.8-174.8-52.20000109.5H86 L87 R88 E89 C113 F137H86-T111 PolarHBondContact NE2-OG1 3.44Å; L87-T111 PolarHBondContact O-N 2.99Å; R88-T111 CarbonylContact C-O 3.26Å; R88-T111 VanDerWaalsContact CA-O 3.24Å; R88-T111 WeakPolarHBondContact CA-O 3.37Å; E89-T111 PolarHBondContact N-O 3.05Å; T111-C113 VanDerWaalsContact C-N 3.26Å; T111-C113 PolarHBondContact O-N 3.32Å; T111-C113 PolarHBondContact O-SG 3.31Å; T111-F137 CarbonylContact C-O 3.51Å; T111-F137 VanDerWaalsContact CA-O 3.26Å; T111-F137 WeakPolarHBondContact CA-O 3.37Å; T111-F137 HydrophobicContact CG2-CB 4.43Å; T111-F137 HydrophobicContact CG2-CD1 3.73Å; T111-F137 HydrophobicContact CG2-CG 4.5Å
112N94Very high94.1Very high49 Ų4950 Ų5026%0.26224%0.243SC..SBendtrans54.337.9179.4-52.5-22.9000113.7E89 E114 F137E89-N112 CarbonylContact C-O 3.38Å; E89-N112 VanDerWaalsContact CA-O 3.27Å; E89-N112 WeakPolarHBondContact CA-O 3.43Å; E89-N112 PolarHBondContact OE1-ND2 2.79Å; N112-E114 PolarHBondContact O-N 3.4Å; N112-F137 PolarHBondContact N-O 3.49Å
113C92.9Very high94Very high0 Ų044.4 Ų44.40%022%0.219CC..  trans-93.381177.6-53.30000109.4E89 V92 T111 K115 L116E89-C113 PolarHBondContact O-SG 2.92Å; V92-C113 HydrophobicContact CG1-CB 3.75Å; V92-C113 VanDerWaalsContact CG1-SG 3.52Å; T111-C113 VanDerWaalsContact C-N 3.26Å; T111-C113 PolarHBondContact O-N 3.32Å; T111-C113 PolarHBondContact O-SG 3.31Å; C113-K115 VanDerWaalsContact C-N 3.34Å; C113-L116 HydrophobicContact CB-CD1 3.58Å; C113-L116 HydrophobicContact CB-CG 3.74Å; C113-L116 PolarHBondContact O-N 3.43Å
114E91.2Very high93.9Very high102 Ų10244.7 Ų44.748%0.47722%0.221SC..THydrogen-bonded Turntrans-75.1-23.7-178.2-53.7-173175.100112.1D90 N112 L116 N141D90-E114 VanDerWaalsContact OD1-CA 3.27Å; D90-E114 WeakPolarHBondContact OD1-CA 3.35Å; D90-E114 VanDerWaalsContact OD1-CB 3.25Å; D90-E114 WeakPolarHBondContact OD1-CB 3.21Å; D90-E114 PolarHBondContact OD1-N 3.04Å; N112-E114 PolarHBondContact O-N 3.4Å; E114-L116 PolarHBondContact O-N 3.47Å; E114-N141 WeakPolarHBondContact O-CB 3.4Å; E114-N141 PolarHBondContact O-ND2 3.25Å
115K91.3Very high93.8Very high106 Ų10649.8 Ų49.846%0.46123%0.233SC..THydrogen-bonded Turntrans-69.8-7.6173.7-70.8-177-172.7157.90115.1D90 V92 Q93 C113D90-K115 HydrophobicContact CB-CD 4.1Å; D90-K115 HydrophobicContact CB-CG 4.13Å; D90-K115 WeakPolarHBondContact O-CD 3.4Å; D90-K115 WeakPolarHBondContact O-CE 3.43Å; D90-K115 PolarHBondContact O-NZ 3.45Å; D90-K115 PolarHBondContact OD1-N 3.48Å; V92-K115 WeakPolarHBondContact O-CB 3.43Å; Q93-K115 HydrophobicContact CG-CB 4.41Å; Q93-K115 HydrophobicContact CG-CD 4.05Å; C113-K115 VanDerWaalsContact C-N 3.34Å
116L92.9Very high93.6Very high1 Ų152.9 Ų52.91%0.00526%0.255CS..  trans-83.5131.2176.5-58.1-175.3000110.8V92 L97 L110 C113 E114 S120 N141 I142V92-L116 HydrophobicContact CB-CD2 4.47Å; V92-L116 HydrophobicContact CG1-CD1 4.12Å; V92-L116 HydrophobicContact CG1-CD2 3.92Å; V92-L116 HydrophobicContact CG1-CG 4.16Å; V92-L116 HydrophobicContact CG2-CD2 4.14Å; L97-L116 HydrophobicContact CD1-CD1 3.84Å; L97-L116 HydrophobicContact CD1-CD2 3.89Å; L97-L116 HydrophobicContact CD1-CG 4.48Å; L110-L116 HydrophobicContact CD1-CD1 3.8Å; L110-L116 HydrophobicContact CD2-CD1 4.36Å; C113-L116 HydrophobicContact CB-CD1 3.58Å; C113-L116 HydrophobicContact CB-CG 3.74Å; C113-L116 PolarHBondContact O-N 3.43Å; E114-L116 PolarHBondContact O-N 3.47Å; L116-S120 WeakPolarHBondContact CD2-OG 3.45Å; L116-N141 CarbonylContact O-C 3.2Å; L116-N141 WeakPolarHBondContact O-CB 3.41Å; L116-I142 PolarHBondContact O-N 3.02Å
117S93.3Very high93.4Very high17 Ų1751 Ų5112%0.11924%0.243CC..  trans-109.6-176.9178.381.30000112.3D94 K119 S120D94-S117 PolarHBondContact OD1-N 3.09Å; D94-S117 PolarHBondContact OD1-OG 3.45Å; D94-S117 WeakPolarHBondContact OD2-CB 3.26Å; D94-S117 PolarHBondContact OD2-OG 2.79Å; S117-K119 PolarHBondContact O-N 3.28Å; S117-K119 PolarHBondContact OG-N 3.3Å; S117-K119 VanDerWaalsContact OG-N 3.14Å; S117-S120 WeakPolarHBondContact O-CB 3.39Å; S117-S120 PolarHBondContact O-N 2.97Å
118A91.3Very high93.2Very high24 Ų2452 Ų5220%0.19826%0.255CS..Hα-helixtrans-53.1-22.7170.500000114L121 Q122A118-L121 WeakPolarHBondContact O-CB 3.35Å; A118-L121 PolarHBondContact O-N 3.01Å; A118-Q122 PolarHBondContact O-N 3.14Å
119K92.4Very high93Very high113 Ų11360.4 Ų60.449%0.49129%0.294SS..Hα-helixtrans-62.5-43.4173.2-66.2172.6-173.9155.60111.4D94 S117 L121 Q122 T123D94-K119 HydrophobicContact CB-CB 4.28Å; S117-K119 PolarHBondContact O-N 3.28Å; S117-K119 PolarHBondContact OG-N 3.3Å; S117-K119 VanDerWaalsContact OG-N 3.14Å; K119-L121 PolarHBondContact O-N 2.85Å; K119-Q122 WeakPolarHBondContact O-CB 3.38Å; K119-Q122 PolarHBondContact O-N 2.83Å; K119-T123 PolarHBondContact O-N 3.34Å; K119-T123 VanDerWaalsContact O-N 3.08Å; K119-T123 PolarHBondContact O-OG1 2.84Å
120S92.8Very high93Very high0 Ų058.9 Ų58.90%029%0.293CS..Hα-helixtrans-59.1-36.6175-760000112.4D94 L97 L116 S117 Q122 T123 L124D94-S120 WeakPolarHBondContact CA-OG 3.42Å; D94-S120 WeakPolarHBondContact OD1-CB 3.29Å; D94-S120 PolarHBondContact OD1-N 2.52Å; D94-S120 PolarHBondContact OD1-OG 3.04Å; L97-S120 WeakPolarHBondContact CD1-OG 3.48Å; L116-S120 WeakPolarHBondContact CD2-OG 3.45Å; S117-S120 WeakPolarHBondContact O-CB 3.39Å; S117-S120 PolarHBondContact O-N 2.97Å; S120-Q122 VanDerWaalsContact C-N 3.29Å; S120-Q122 PolarHBondContact O-N 3.17Å; S120-T123 WeakPolarHBondContact O-CB 3.24Å; S120-T123 PolarHBondContact O-N 3.45Å; S120-T123 VanDerWaalsContact O-N 3.16Å; S120-L124 VanDerWaalsContact O-CG 3.29Å; S120-L124 WeakPolarHBondContact O-CG 3.3Å; S120-L124 PolarHBondContact O-N 3.42Å
121L90.6Very high93.1Very high76 Ų7660.8 Ų60.840%0.39830%0.303SS..Hα-helixtrans-62.7-36.9175.7-168.163.8000112.2A118 K119 L124 R125 I142A118-L121 WeakPolarHBondContact O-CB 3.35Å; A118-L121 PolarHBondContact O-N 3.01Å; K119-L121 PolarHBondContact O-N 2.85Å; L121-L124 HydrophobicContact CD1-CD1 4.28Å; L121-L124 PolarHBondContact O-N 3.42Å; L121-R125 PolarHBondContact O-N 3.49Å; L121-I142 HydrophobicContact CB-CG1 4.17Å
122Q91.3Very high93.2Very high146 Ų14665.6 Ų65.668%0.68233%0.332SS*.Hα-helixtrans-66.2-42.3173.7-60.6179.1600111A118 K119 S120 L124 R125A118-Q122 PolarHBondContact O-N 3.14Å; K119-Q122 WeakPolarHBondContact O-CB 3.38Å; K119-Q122 PolarHBondContact O-N 2.83Å; S120-Q122 VanDerWaalsContact C-N 3.29Å; S120-Q122 PolarHBondContact O-N 3.17Å; Q122-L124 VanDerWaalsContact C-N 3.34Å; Q122-L124 PolarHBondContact O-N 3.4Å; Q122-R125 VanDerWaalsContact O-CB 3.23Å; Q122-R125 WeakPolarHBondContact O-CB 3.39Å; Q122-R125 PolarHBondContact O-N 3.28Å
123T93.3Very high93.3Very high10 Ų1065.2 Ų65.26%0.06133%0.333CS..Hα-helixtrans-62-41.9175.5-54.90000111.6L97 E98 R101 K119 S120 R125 S126 F127L97-T123 HydrophobicContact CB-CG2 4.22Å; L97-T123 WeakPolarHBondContact O-CG2 3.36Å; E98-T123 WeakPolarHBondContact OE2-CG2 3.38Å; E98-T123 PolarHBondContact OE2-OG1 2.99Å; R101-T123 HydrophobicContact CB-CG2 3.82Å; K119-T123 PolarHBondContact O-N 3.34Å; K119-T123 VanDerWaalsContact O-N 3.08Å; K119-T123 PolarHBondContact O-OG1 2.84Å; S120-T123 WeakPolarHBondContact O-CB 3.24Å; S120-T123 PolarHBondContact O-N 3.45Å; S120-T123 VanDerWaalsContact O-N 3.16Å; T123-R125 PolarHBondContact O-N 3.03Å; T123-R125 VanDerWaalsContact O-N 3.12Å; T123-S126 WeakPolarHBondContact O-CB 3.41Å; T123-S126 PolarHBondContact O-N 3.16Å; T123-S126 PolarHBondContact O-OG 3.33Å; T123-F127 HydrophobicContact CG2-CE2 4.46Å
124L93Very high93.5Very high12 Ų1269 Ų696%0.06335%0.353CS..Hα-helixtrans-56.4-30.1177.6-73179.1000113L108 S120 L121 Q122 S126 F127 I142L108-L124 HydrophobicContact CD2-CD2 3.27Å; S120-L124 VanDerWaalsContact O-CG 3.29Å; S120-L124 WeakPolarHBondContact O-CG 3.3Å; S120-L124 PolarHBondContact O-N 3.42Å; L121-L124 HydrophobicContact CD1-CD1 4.28Å; L121-L124 PolarHBondContact O-N 3.42Å; Q122-L124 VanDerWaalsContact C-N 3.34Å; Q122-L124 PolarHBondContact O-N 3.4Å; L124-S126 PolarHBondContact O-N 3.03Å; L124-F127 HydrophobicContact CD2-CD2 4.01Å; L124-F127 HydrophobicContact CD2-CE2 4.16Å; L124-F127 PolarHBondContact O-N 3.11Å; L124-F127 VanDerWaalsContact O-N 3.08Å; L124-I142 HydrophobicContact CD1-CD1 3.82Å
125R92.5Very high93.7Very high201 Ų20166.3 Ų66.376%0.75835%0.346SS*.G310 helixtrans-60.6-28.2174.8-169.2177.3176.2171.90.1112.6L121 Q122 T123 F127 S128L121-R125 PolarHBondContact O-N 3.49Å; Q122-R125 VanDerWaalsContact O-CB 3.23Å; Q122-R125 WeakPolarHBondContact O-CB 3.39Å; Q122-R125 PolarHBondContact O-N 3.28Å; T123-R125 PolarHBondContact O-N 3.03Å; T123-R125 VanDerWaalsContact O-N 3.12Å; R125-F127 PolarHBondContact O-N 3.26Å; R125-S128 WeakPolarHBondContact O-CB 3.38Å; R125-S128 PolarHBondContact O-N 3.13Å; R125-S128 VanDerWaalsContact O-N 3.1Å; R125-S128 PolarHBondContact O-OG 2.79Å
126S93.3Very high93.8Very high66 Ų6664 Ų6446%0.46234%0.338SS..G310 helixtrans-62.5-28.3176.6-50.40000112.2R101 T123 L124R101-S126 WeakPolarHBondContact O-CB 3.24Å; T123-S126 WeakPolarHBondContact O-CB 3.41Å; T123-S126 PolarHBondContact O-N 3.16Å; T123-S126 PolarHBondContact O-OG 3.33Å; L124-S126 PolarHBondContact O-N 3.03Å
127F93.8Very high93.9Very high0 Ų070 Ų700%036%0.364CS..G310 helixtrans-87.3-3.2178.1-47.2-55.4000113.3I100 Q103 L105 L108 T123 L124 R125 H129 T130 L131I100-F127 HydrophobicContact CG1-CZ 4.33Å; I100-F127 WeakPolarHBondContact O-CE1 3.27Å; Q103-F127 WeakPolarHBondContact O-CD1 3.09Å; L105-F127 HydrophobicContact CB-CD1 4.16Å; L105-F127 HydrophobicContact CB-CG 4.34Å; L105-F127 HydrophobicContact CD1-CD1 4.01Å; L105-F127 HydrophobicContact CD1-CD2 4.09Å; L105-F127 HydrophobicContact CD1-CE1 3.79Å; L105-F127 HydrophobicContact CD1-CE2 3.91Å; L105-F127 HydrophobicContact CD1-CG 4.16Å; L105-F127 HydrophobicContact CD1-CZ 3.75Å; L105-F127 HydrophobicContact CG-CD1 4.03Å; L105-F127 HydrophobicContact CG-CE1 4.01Å; L105-F127 HydrophobicContact CG-CG 4.49Å; L105-F127 HydrophobicContact CG-CZ 4.46Å; L108-F127 HydrophobicContact CD2-CD2 4.46Å; T123-F127 HydrophobicContact CG2-CE2 4.46Å; L124-F127 HydrophobicContact CD2-CD2 4.01Å; L124-F127 HydrophobicContact CD2-CE2 4.16Å; L124-F127 PolarHBondContact O-N 3.11Å; L124-F127 VanDerWaalsContact O-N 3.08Å; R125-F127 PolarHBondContact O-N 3.26Å; F127-H129 PolarHBondContact O-N 3Å; F127-T130 PolarHBondContact O-N 3.29Å; F127-T130 PolarHBondContact O-OG1 3.3Å; F127-L131 HydrophobicContact CB-CB 4.16Å; F127-L131 HydrophobicContact CB-CD2 4.47Å; F127-L131 WeakPolarHBondContact O-CB 3.49Å; F127-L131 PolarHBondContact O-N 3.33Å
128S92.6Very high93.7Very high70 Ų7070.8 Ų70.849%0.4938%0.375SS..THydrogen-bonded Turntrans-57.6-22.1-17159.10000115.1R125R125-S128 WeakPolarHBondContact O-CB 3.38Å; R125-S128 PolarHBondContact O-N 3.13Å; R125-S128 VanDerWaalsContact O-N 3.1Å; R125-S128 PolarHBondContact O-OG 2.79Å
129H93.9Very high93.7Very high177 Ų17770 Ų7082%0.81937%0.368SS*.THydrogen-bonded Turntrans-88-20.1179.7-60.1-56.6000114.2F127F127-H129 PolarHBondContact O-N 3Å
130T96.2Very high93.5Very high43 Ų4368.2 Ų68.226%0.26437%0.366SS..THydrogen-bonded Turntrans-114.6-26.2-175.158.70000112.6D104 L105 F127 V132D104-T130 HydrophobicContact CB-CG2 3.86Å; L105-T130 CarbonylContact O-C 3.45Å; L105-T130 WeakPolarHBondContact O-CB 3.33Å; L105-T130 PolarHBondContact O-OG1 2.83Å; F127-T130 PolarHBondContact O-N 3.29Å; F127-T130 PolarHBondContact O-OG1 3.3Å; T130-V132 PolarHBondContact O-N 3.38Å
131L96.8Very high93.4Very high39 Ų3971.5 Ų71.520%0.20438%0.384CS..  trans-71.7119-172.9-161.370.6000110.5L105 L108 F127 L134L105-L131 HydrophobicContact CB-CD1 4.15Å; L105-L131 WeakPolarHBondContact O-CA 3.22Å; L105-L131 PolarHBondContact O-N 3.37Å; L108-L131 HydrophobicContact CB-CD1 3.78Å; F127-L131 HydrophobicContact CB-CB 4.16Å; F127-L131 HydrophobicContact CB-CD2 4.47Å; F127-L131 WeakPolarHBondContact O-CB 3.49Å; F127-L131 PolarHBondContact O-N 3.33Å; L131-L134 HydrophobicContact CD2-CB 3.73Å; L131-L134 HydrophobicContact CD2-CD1 4.16Å; L131-L134 HydrophobicContact CD2-CD2 4.31Å; L131-L134 HydrophobicContact CD2-CG 4.27Å
132V97.6Very high93.3Very high125 Ų12567.9 Ų67.976%0.75837%0.365SS*.SBendtrans-96.2-32.9177.2177.30000110.6V106 T130V106-V132 HydrophobicContact CG1-CB 4.07Å; V106-V132 HydrophobicContact CG1-CG2 3.86Å; V106-V132 PolarHBondContact O-N 3.23Å; T130-V132 PolarHBondContact O-N 3.38Å
133S97.3Very high93.1Very high41 Ų4167.3 Ų67.329%0.28736%0.361SS..EExtended strand (participates in β ladder)trans-135.7126.1-179.6-1780000111.1V106 E107 L108V106-S133 PolarHBondContact O-N 3.27Å; V106-S133 VanDerWaalsContact O-N 3.13Å; E107-S133 WeakPolarHBondContact CA-O 3.27Å; L108-S133 PolarHBondContact N-O 3.03Å
134L95.9Very high92.5Very high79 Ų7974.5 Ų74.541%0.41439%0.388SS..EExtended strand (participates in β ladder)trans-123.1122.7170.9-179.858000109L108 L131 L136L108-L134 HydrophobicContact CB-CD1 4.17Å; L108-L134 HydrophobicContact CD2-CD1 4.14Å; L108-L134 HydrophobicContact CG-CD1 4.12Å; L108-L134 WeakPolarHBondContact O-CA 3.37Å; L131-L134 HydrophobicContact CD2-CB 3.73Å; L131-L134 HydrophobicContact CD2-CD1 4.16Å; L131-L134 HydrophobicContact CD2-CD2 4.31Å; L131-L134 HydrophobicContact CD2-CG 4.27Å; L134-L136 HydrophobicContact CD1-CD2 4.02Å; L134-L136 HydrophobicContact CD1-CG 4.3Å; L134-L136 HydrophobicContact CD2-CD1 4.38Å; L134-L136 HydrophobicContact CD2-CG 4.42Å; L134-L136 HydrophobicContact CG-CD2 4.43Å; L134-L136 HydrophobicContact CG-CG 4.17Å
135S95.7Very high91.3Very high46 Ų4682 Ų8232%0.32242%0.423SS..EExtended strand (participates in β ladder)trans-117117.9172.2179.40000109.7L108 Y109 L110L108-S135 PolarHBondContact O-N 3.36Å; Y109-S135 VanDerWaalsContact CD1-CB 3.45Å; L110-S135 PolarHBondContact N-O 2.74Å
136L93.8Very high89.7Confident58 Ų5879.4 Ų79.430%0.30442%0.419SS..EExtended strand (participates in β ladder)trans-111.8109.2172.5-60.5177.9000108.3L110 L134 I142 F143L110-L136 HydrophobicContact CB-CD2 3.96Å; L110-L136 HydrophobicContact CD1-CD2 3.62Å; L110-L136 HydrophobicContact CG-CD2 4.16Å; L134-L136 HydrophobicContact CD1-CD2 4.02Å; L134-L136 HydrophobicContact CD1-CG 4.3Å; L134-L136 HydrophobicContact CD2-CD1 4.38Å; L134-L136 HydrophobicContact CD2-CG 4.42Å; L134-L136 HydrophobicContact CG-CD2 4.43Å; L134-L136 HydrophobicContact CG-CG 4.17Å; L136-I142 HydrophobicContact CD2-CD1 4.46Å; L136-F143 HydrophobicContact CD1-CE1 4.44Å; L136-F143 HydrophobicContact CD1-CZ 3.74Å
137F94.4Very high87.6Confident128 Ų12885.1 Ų85.156%0.56144%0.438SS*.EExtended strand (participates in β ladder)trans-123.5130.6176-176.7-93.5000109.3L110 T111 N112 C139L110-F137 PolarHBondContact O-N 3.23Å; T111-F137 CarbonylContact C-O 3.51Å; T111-F137 VanDerWaalsContact CA-O 3.26Å; T111-F137 WeakPolarHBondContact CA-O 3.37Å; T111-F137 HydrophobicContact CG2-CB 4.43Å; T111-F137 HydrophobicContact CG2-CD1 3.73Å; T111-F137 HydrophobicContact CG2-CG 4.5Å; N112-F137 PolarHBondContact N-O 3.49Å; F137-C139 PolarHBondContact O-N 2.73Å; F137-C139 PolarHBondContact O-SG 2.55Å
138G89.8Confident85.3Confident33 Ų3391.2 Ų91.234%0.3447%0.471SS..SBendtrans62.513.9176.400000115.9T140G138-T140 PolarHBondContact O-N 2.77Å
139C90.9Very high83Confident7 Ų794.4 Ų94.45%0.04749%0.49CS..  trans-94.675.7178.9-56.90000109.6F137 I142F137-C139 PolarHBondContact O-N 2.73Å; F137-C139 PolarHBondContact O-SG 2.55Å; C139-I142 HydrophobicContact CB-CG2 4.26Å; C139-I142 VanDerWaalsContact O-CG2 3.29Å; C139-I142 WeakPolarHBondContact O-CG2 3.15Å
140T88Confident80.8Confident75 Ų7588.3 Ų88.346%0.4648%0.475SS..  trans-70-38.4-171.951.60000112.9G138 I142 Y144G138-T140 PolarHBondContact O-N 2.77Å; T140-I142 VanDerWaalsContact C-N 3.29Å; T140-I142 PolarHBondContact O-N 2.8Å; T140-Y144 WeakPolarHBondContact O-CD2 3.49Å; T140-Y144 WeakPolarHBondContact O-CE2 3.25Å
141N90Very high78Confident70 Ų7089.4 Ų89.437%0.37450%0.495SS..G310 helixtrans-76.2-14.3-169.8-63.3-20.1000114.1E114 L116 F143 Y144E114-N141 WeakPolarHBondContact O-CB 3.4Å; E114-N141 PolarHBondContact O-ND2 3.25Å; L116-N141 CarbonylContact O-C 3.2Å; L116-N141 WeakPolarHBondContact O-CB 3.41Å; N141-F143 PolarHBondContact O-N 2.7Å; N141-Y144 PolarHBondContact O-N 2.81Å
142I90.3Very high75.4Confident0 Ų093.4 Ų93.40%053%0.525CS..G310 helixtrans-68.9-21.2-177.9-156.2171.8000113.5L116 L121 L124 L136 C139 T140L116-I142 PolarHBondContact O-N 3.02Å; L121-I142 HydrophobicContact CB-CG1 4.17Å; L124-I142 HydrophobicContact CD1-CD1 3.82Å; L136-I142 HydrophobicContact CD2-CD1 4.46Å; C139-I142 HydrophobicContact CB-CG2 4.26Å; C139-I142 VanDerWaalsContact O-CG2 3.29Å; C139-I142 WeakPolarHBondContact O-CG2 3.15Å; T140-I142 VanDerWaalsContact C-N 3.29Å; T140-I142 PolarHBondContact O-N 2.8Å
143F85.9Confident73Confident133 Ų13396.4 Ų96.458%0.58353%0.531SS*.G310 helixtrans-101-7.6-177.8-60.5-68.7000113.8L136 N141L136-F143 HydrophobicContact CD1-CE1 4.44Å; L136-F143 HydrophobicContact CD1-CZ 3.74Å; N141-F143 PolarHBondContact O-N 2.7Å
144Y81.4Confident70.3Confident161 Ų161101.9 Ų101.963%0.63156%0.557SS**  trans-94.6125.4178.2-62.9-74000109.2T140 N141T140-Y144 WeakPolarHBondContact O-CD2 3.49Å; T140-Y144 WeakPolarHBondContact O-CE2 3.25Å; N141-Y144 PolarHBondContact O-N 2.81Å
145E66.4Low67.8Low170 Ų170106.3 Ų106.379%0.79458%0.575SS**  trans-67.6132.9162.9-67.5-176.3165.500107.2E147E145-E147 PolarHBondContact O-N 2.83Å
146E59.4Low65.3Low147 Ų147115 Ų11569%0.68760%0.602SS**  trans-54.4110.6168-76-177.6150.900106.6N148E146-N148 VanDerWaalsContact C-N 3.34Å; E146-N148 PolarHBondContact O-N 2.91Å
147E49.5Very low63.1Low185 Ų185120 Ų12086%0.86463%0.629SS**  trans-55.4106.8169.4-88.1-170.6148.200106.2E145 P149E145-E147 PolarHBondContact O-N 2.83Å; E147-P149 WeakPolarHBondContact O-CD 3.16Å
148N46.3Very low60.4Low128 Ų128120.3 Ų120.368%0.68464%0.641SS**  trans-53.3115178.5-16410.7000107E146 G150E146-N148 VanDerWaalsContact C-N 3.34Å; E146-N148 PolarHBondContact O-N 2.91Å; N148-G150 PolarHBondContact O-N 3.16Å
149P42.7Very low58.1Low137 Ų137126 Ų12689%0.8966%0.664SS**SBendtrans-6911.8-177.3-14.228000113.4E147E147-P149 WeakPolarHBondContact O-CD 3.16Å
150G48.8Very low56Low50 Ų50131.6 Ų131.652%0.51570%0.7SS.*  trans-140.664.1-178.800000111N148 C152N148-G150 PolarHBondContact O-N 3.16Å; G150-C152 PolarHBondContact O-N 2.8Å
151G37.9Very low54.1Low65 Ų65133.9 Ų133.967%0.6771%0.714SS**  trans-7893.1161.400000109.5E153G151-E153 PolarHBondContact O-N 3.28Å
152C42.5Very low51.9Low124 Ų124137 Ų13784%0.83874%0.739SS**  trans-65115.8151.5-70.40000106.1G150 D154G150-C152 PolarHBondContact O-N 2.8Å; C152-D154 PolarHBondContact O-N 3.27Å; C152-D154 VanDerWaalsContact O-N 3.16Å
153E46.6Very low49.5Very low187 Ų187145.3 Ų145.387%0.87478%0.778SS**  trans-57114.8172.9-58.6177.6145.400108.8G151G151-E153 PolarHBondContact O-N 3.28Å
154D39.3Very low47.1Very low156 Ų156149.3 Ų149.383%0.83481%0.813SS**  trans-133.8104.3152.1-94.1-36.1000107.3C152C152-D154 PolarHBondContact O-N 3.27Å; C152-D154 VanDerWaalsContact O-N 3.16Å
155E44.9Very low45.4Very low173 Ų173148.7 Ų148.781%0.80882%0.822SS**  trans-48.1132.4166.7-64.5178.4120.500109.9
156Y42.1Very low44.3Very low227 Ų227147.6 Ų147.689%0.8982%0.824SS**  -156.4115.2127.3-80.7-66.3000109.9
157L47.8Very low43.4Very low164 Ų164147.6 Ų147.686%0.85983%0.831SS**  trans-35.5140.4162.1-62.7148.8000112.6
158V38.7Very low43.1Very low135 Ų135145.4 Ų145.482%0.81883%0.829SS**  -171126.995.1-155.40000109.9
159N41.1Very low42.9Very low153 Ų153146.5 Ų146.582%0.81884%0.838SS**  trans-60150.3162.5-93.9-35.2000111.2
160P47.3Very low42.9Very low124 Ų124147.1 Ų147.181%0.80584%0.835SS**  -131.9129.9127.8190.4000112.8
161T47.3Very low42.5Very low122 Ų122154.1 Ų154.175%0.74886%0.858SS**  trans-51.9131168.2-20.50000111.4Q163T161-Q163 HydrophobicContact CG2-CG 4.43Å
162C43.2Very low42.8Very low135 Ų135160.9 Ų160.991%0.91287%0.872SS**  trans-105.3102.4160.3-129.90000107.9
163Q40.5Very low42.8Very low175 Ų175164 Ų16482%0.81888%0.875SS**  trans-82.2150167.1-76-177-1200109.8T161T161-Q163 HydrophobicContact CG2-CG 4.43Å
164V35.3Very low42.5Very low217 Ų217161.9 Ų161.9100%1.31588%0.875SS**  trans-61.50178.2-172.50000112.4

Retrieved 164 of 164 residues in 41.6 ms (Link to these results)

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