Q2G0K3_STAA8 Loading...

Putative long chain fatty acid-CoA ligase VraA

AlphaFold DB , UniProt , Accession Q2G0K3, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 458 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
1M59.1Low91.6Very high168 Ų16855.5 Ų55.583%0.82828%0.28SS*.  0138.90-176.4158.161.400106.8V3 E6M1-V3 PolarHBondContact O-N 2.97Å; M1-E6 HydrophobicContact CE-CG 3.68Å; M1-E6 WeakPolarHBondContact CE-OE1 3.45Å; M1-E6 HydrophobicContact CG-CG 4.28Å; M1-E6 HydrophobicContact SD-CG 4.49Å; M1-E6 VanDerWaalsContact SD-OE1 3.38Å
2N83.9Confident92.1Very high30 Ų3052.1 Ų52.116%0.1626%0.264CS..  trans-68.3124.9-169.7-72.4-11000111.8I4 L5 E6 H71 E148N2-I4 VanDerWaalsContact C-N 3.3Å; N2-I4 PolarHBondContact O-N 3.44Å; N2-L5 HydrophobicContact CB-CB 4.24Å; N2-L5 HydrophobicContact CB-CD1 3.75Å; N2-L5 HydrophobicContact CB-CG 4.49Å; N2-L5 WeakPolarHBondContact O-CB 3.2Å; N2-L5 PolarHBondContact O-N 3.21Å; N2-L5 VanDerWaalsContact O-N 3.11Å; N2-E6 PolarHBondContact O-N 3.49Å; N2-E6 VanDerWaalsContact O-N 3.09Å; N2-H71 PolarHBondContact ND2-CE1 3.5Å; N2-H71 PolarHBondContact ND2-ND1 3.5Å; N2-E148 WeakPolarHBondContact CA-OE1 3.36Å; N2-E148 WeakPolarHBondContact CA-OE2 3.47Å; N2-E148 VanDerWaalsContact CB-OE1 3.23Å; N2-E148 WeakPolarHBondContact CB-OE1 3.12Å
3V93.8Very high92.5Very high64 Ų6458.1 Ų58.139%0.38829%0.291SS..Hα-helixtrans-57.3-41.5-179.5176.20000111.4M1 L5 E6 Q7 E148 L152M1-V3 PolarHBondContact O-N 2.97Å; V3-L5 VanDerWaalsContact C-N 3.26Å; V3-L5 PolarHBondContact O-N 3.37Å; V3-E6 PolarHBondContact O-N 2.88Å; V3-Q7 HydrophobicContact CG1-CG 4.39Å; V3-Q7 WeakPolarHBondContact O-CG 3.49Å; V3-Q7 PolarHBondContact O-N 3.01Å; V3-E148 PolarHBondContact N-OE1 3.26Å; V3-E148 PolarHBondContact N-OE2 2.94Å; V3-L152 HydrophobicContact CB-CD1 3.89Å; V3-L152 HydrophobicContact CG1-CD1 4.04Å; V3-L152 HydrophobicContact CG1-CD2 4.21Å; V3-L152 HydrophobicContact CG2-CD1 4.2Å
4I94.9Very high92.9Very high4 Ų462.6 Ų62.62%0.02132%0.316CS..Hα-helixtrans-58.2-41.5177.6-67.8176000110.5N2 L8 L129 E148 L152 F155 L185N2-I4 VanDerWaalsContact C-N 3.3Å; N2-I4 PolarHBondContact O-N 3.44Å; I4-L8 PolarHBondContact O-N 2.91Å; I4-L129 HydrophobicContact CD1-CD1 4.15Å; I4-L129 HydrophobicContact CD1-CD2 3.81Å; I4-E148 VanDerWaalsContact CB-OE1 3.3Å; I4-E148 WeakPolarHBondContact CB-OE1 3.18Å; I4-E148 HydrophobicContact CD1-CG 3.91Å; I4-E148 HydrophobicContact CG1-CG 4.04Å; I4-E148 WeakPolarHBondContact CG1-OE1 3.26Å; I4-E148 PolarHBondContact N-OE1 2.69Å; I4-L152 HydrophobicContact CD1-CD2 4.49Å; I4-L152 HydrophobicContact CG1-CD2 3.83Å; I4-L152 HydrophobicContact CG1-CG 4.47Å; I4-F155 HydrophobicContact CD1-CE2 3.67Å; I4-F155 HydrophobicContact CD1-CZ 4.09Å; I4-F155 HydrophobicContact CG1-CE2 3.97Å; I4-L185 HydrophobicContact CG2-CB 4.46Å
5L93.5Very high93.1Very high22 Ų2261.8 Ų61.812%0.11531%0.31CS..Hα-helixtrans-72.2-37.5179.8-87.483000112.2N2 V3 L8 K9 H71 R72N2-L5 HydrophobicContact CB-CB 4.24Å; N2-L5 HydrophobicContact CB-CD1 3.75Å; N2-L5 HydrophobicContact CB-CG 4.49Å; N2-L5 WeakPolarHBondContact O-CB 3.2Å; N2-L5 PolarHBondContact O-N 3.21Å; N2-L5 VanDerWaalsContact O-N 3.11Å; V3-L5 VanDerWaalsContact C-N 3.26Å; V3-L5 PolarHBondContact O-N 3.37Å; L5-L8 PolarHBondContact O-N 3.3Å; L5-K9 WeakPolarHBondContact O-CB 3.4Å; L5-K9 PolarHBondContact O-N 2.97Å; L5-H71 HydrophobicContact CD1-CB 3.93Å; L5-H71 HydrophobicContact CD2-CB 3.43Å; L5-H71 VanDerWaalsContact CD2-CB 3.43Å; L5-H71 HydrophobicContact CG-CB 4.31Å; L5-R72 HydrophobicContact CD2-CG 4.2Å
6E95.8Very high93.4Very high62 Ų6260.7 Ų60.729%0.2931%0.308SS..Hα-helixtrans-66.6-40174-76.1-56.7111.500111.5M1 N2 V3 L8 K9 T10M1-E6 HydrophobicContact CE-CG 3.68Å; M1-E6 WeakPolarHBondContact CE-OE1 3.45Å; M1-E6 HydrophobicContact CG-CG 4.28Å; M1-E6 HydrophobicContact SD-CG 4.49Å; M1-E6 VanDerWaalsContact SD-OE1 3.38Å; N2-E6 PolarHBondContact O-N 3.49Å; N2-E6 VanDerWaalsContact O-N 3.09Å; V3-E6 PolarHBondContact O-N 2.88Å; E6-L8 PolarHBondContact O-N 2.83Å; E6-K9 WeakPolarHBondContact O-CB 3.48Å; E6-K9 PolarHBondContact O-N 3Å; E6-K9 IonicContact OE1-NZ 3.76Å; E6-K9 IonicContact OE2-NZ 3.64Å; E6-K9 PolarHBondContact OE2-NZ 3.26Å; E6-T10 PolarHBondContact O-N 3.23Å; E6-T10 PolarHBondContact O-OG1 2.89Å; E6-T10 VanDerWaalsContact O-OG1 3.11Å
7Q97.3Very high93.7Very high69 Ų6964.8 Ų64.832%0.32233%0.331SS..Hα-helixtrans-59.7-47.7173-73171-24.800111.4V3 K9 T10 H11 S189V3-Q7 HydrophobicContact CG1-CG 4.39Å; V3-Q7 WeakPolarHBondContact O-CG 3.49Å; V3-Q7 PolarHBondContact O-N 3.01Å; Q7-K9 VanDerWaalsContact C-N 3.29Å; Q7-K9 PolarHBondContact O-N 3.46Å; Q7-T10 PolarHBondContact O-N 3.16Å; Q7-H11 PolarHBondContact O-CD2 3.19Å; Q7-H11 PolarHBondContact O-N 3.41Å; Q7-S189 WeakPolarHBondContact CB-O 3.27Å
8L97Very high93.8Very high7 Ų766 Ų664%0.03734%0.339CS..Hα-helixtrans-57.3-41.5174.5171.858.7000112.1I4 L5 E6 H11 T12 Y30 L68 L188I4-L8 PolarHBondContact O-N 2.91Å; L5-L8 PolarHBondContact O-N 3.3Å; E6-L8 PolarHBondContact O-N 2.83Å; L8-H11 PolarHBondContact O-N 3.37Å; L8-T12 WeakPolarHBondContact O-CB 3.4Å; L8-T12 PolarHBondContact O-N 2.88Å; L8-T12 PolarHBondContact O-OG1 2.81Å; L8-Y30 HydrophobicContact CD1-CD1 3.67Å; L8-Y30 HydrophobicContact CD1-CE1 3.54Å; L8-L68 HydrophobicContact CD2-CD1 3.94Å; L8-L68 HydrophobicContact CD2-CD2 4.11Å; L8-L188 HydrophobicContact CD1-CB 4.25Å; L8-L188 HydrophobicContact CD1-CD2 4.38Å
9K96.5Very high94Very high86 Ų8664.3 Ų64.337%0.37433%0.33SS..Hα-helixtrans-64.6-44.2177-179.7-174.7172.9-167.90111.8L5 E6 Q7 H11 T12 Q13L5-K9 WeakPolarHBondContact O-CB 3.4Å; L5-K9 PolarHBondContact O-N 2.97Å; E6-K9 WeakPolarHBondContact O-CB 3.48Å; E6-K9 PolarHBondContact O-N 3Å; E6-K9 IonicContact OE1-NZ 3.76Å; E6-K9 IonicContact OE2-NZ 3.64Å; E6-K9 PolarHBondContact OE2-NZ 3.26Å; Q7-K9 VanDerWaalsContact C-N 3.29Å; Q7-K9 PolarHBondContact O-N 3.46Å; K9-H11 PolarHBondContact O-N 3.45Å; K9-T12 WeakPolarHBondContact O-CB 3.35Å; K9-T12 PolarHBondContact O-N 3.4Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 3.38Å
10T98Very high94.2Very high61 Ų6161.1 Ų61.137%0.37431%0.313SS..Hα-helixtrans-59.1-45.9174.2-61.30000111.1E6 Q7 T12 Q13 N14E6-T10 PolarHBondContact O-N 3.23Å; E6-T10 PolarHBondContact O-OG1 2.89Å; E6-T10 VanDerWaalsContact O-OG1 3.11Å; Q7-T10 PolarHBondContact O-N 3.16Å; T10-T12 VanDerWaalsContact C-N 3.31Å; T10-T12 PolarHBondContact O-N 2.91Å; T10-Q13 PolarHBondContact O-N 3.33Å; T10-N14 WeakPolarHBondContact CG2-ND2 3.45Å; T10-N14 WeakPolarHBondContact O-CB 3.34Å; T10-N14 VanDerWaalsContact O-CG 3.28Å; T10-N14 PolarHBondContact O-N 3.27Å; T10-N14 PolarHBondContact O-ND2 3.01Å
11H97.6Very high94.4Very high37 Ų3758.2 Ų58.217%0.17130%0.299CS..Hα-helixtrans-62.8-38.8175.7-68-54.7000112.1Q7 L8 K9 Q13 N14 K15 Y30 L188 S189 G191Q7-H11 PolarHBondContact O-CD2 3.19Å; Q7-H11 PolarHBondContact O-N 3.41Å; L8-H11 PolarHBondContact O-N 3.37Å; K9-H11 PolarHBondContact O-N 3.45Å; H11-Q13 VanDerWaalsContact C-N 3.28Å; H11-Q13 PolarHBondContact O-N 2.9Å; H11-N14 PolarHBondContact O-N 3.45Å; H11-K15 HydrophobicContact CB-CG 4.47Å; H11-K15 WeakPolarHBondContact ND1-CE 3.3Å; H11-K15 WeakPolarHBondContact O-CG 3.31Å; H11-K15 PolarHBondContact O-N 3.06Å; H11-Y30 HydrophobicContact CB-CD1 4.36Å; H11-Y30 HydrophobicContact CB-CE1 4.08Å; H11-L188 PolarHBondContact CD2-O 2.78Å; H11-S189 PolarHBondContact CD2-O 3.18Å; H11-S189 PolarHBondContact NE2-O 3.12Å; H11-G191 VanDerWaalsContact CD2-CA 3.45Å; H11-G191 WeakPolarHBondContact CD2-CA 3.33Å; H11-G191 PolarHBondContact CD2-N 2.8Å; H11-G191 VanDerWaalsContact CD2-N 3.34Å; H11-G191 VanDerWaalsContact CG-CA 3.47Å; H11-G191 PolarHBondContact NE2-N 2.79Å
12T97.5Very high96.2Very high15 Ų1550.6 Ų50.69%0.09226%0.261CS..Hα-helixtrans-60.7-38.2175.9-57.80000112.4L8 K9 T10 P16 N34L8-T12 WeakPolarHBondContact O-CB 3.4Å; L8-T12 PolarHBondContact O-N 2.88Å; L8-T12 PolarHBondContact O-OG1 2.81Å; K9-T12 WeakPolarHBondContact O-CB 3.35Å; K9-T12 PolarHBondContact O-N 3.4Å; T10-T12 VanDerWaalsContact C-N 3.31Å; T10-T12 PolarHBondContact O-N 2.91Å; T12-P16 WeakPolarHBondContact O-CA 3.47Å; T12-P16 WeakPolarHBondContact O-CB 3.15Å; T12-N34 HydrophobicContact CG2-CB 3.61Å
13Q97.6Very high96.9Very high130 Ų13049.3 Ų49.361%0.60725%0.254SS*.Hα-helixtrans-73.4-40.5177.6-69.3172-20.400112.2K9 T10 H11K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 3.38Å; T10-Q13 PolarHBondContact O-N 3.33Å; H11-Q13 VanDerWaalsContact C-N 3.28Å; H11-Q13 PolarHBondContact O-N 2.9Å
14N98Very high96.9Very high121 Ų12148.2 Ų48.265%0.64725%0.246SC*.Hα-helixtrans-79.8-32.9-174.3-68.1-16.8000113.3T10 H11T10-N14 WeakPolarHBondContact CG2-ND2 3.45Å; T10-N14 WeakPolarHBondContact O-CB 3.34Å; T10-N14 VanDerWaalsContact O-CG 3.28Å; T10-N14 PolarHBondContact O-N 3.27Å; T10-N14 PolarHBondContact O-ND2 3.01Å; H11-N14 PolarHBondContact O-N 3.45Å
15K96.5Very high96.8Very high51 Ų5154.7 Ų54.722%0.22228%0.281CS..  trans-139.460-176.253.6175.3163.9-157.20112.6H11 N17 D18 Y30 G191H11-K15 HydrophobicContact CB-CG 4.47Å; H11-K15 WeakPolarHBondContact ND1-CE 3.3Å; H11-K15 WeakPolarHBondContact O-CG 3.31Å; H11-K15 PolarHBondContact O-N 3.06Å; K15-N17 PolarHBondContact O-N 3.19Å; K15-N17 VanDerWaalsContact O-N 3.11Å; K15-D18 HydrophobicContact CB-CB 4.04Å; K15-D18 WeakPolarHBondContact CB-OD2 3.47Å; K15-D18 HydrophobicContact CD-CB 4.07Å; K15-D18 VanDerWaalsContact CD-OD2 3.27Å; K15-D18 WeakPolarHBondContact CD-OD2 3.39Å; K15-D18 HydrophobicContact CG-CB 4.31Å; K15-D18 PolarHBondContact O-N 2.92Å; K15-Y30 HydrophobicContact CD-CD2 4.48Å; K15-Y30 HydrophobicContact CD-CE2 4.24Å; K15-Y30 HydrophobicContact CG-CD2 4.29Å; K15-G191 WeakPolarHBondContact CE-O 3.3Å; K15-G191 VanDerWaalsContact NZ-C 3.28Å; K15-G191 VanDerWaalsContact NZ-CA 3.3Å; K15-G191 PolarHBondContact NZ-O 2.96Å
16P98Very high96.9Very high44 Ų4456.8 Ų56.829%0.28629%0.29SS..THydrogen-bonded Turntrans-60.1-26.9-174.323-34.3000114.3T12 T29 S31T12-P16 WeakPolarHBondContact O-CA 3.47Å; T12-P16 WeakPolarHBondContact O-CB 3.15Å; P16-T29 WeakPolarHBondContact O-CB 3.27Å; P16-T29 PolarHBondContact O-OG1 3.1Å; P16-S31 WeakPolarHBondContact O-CB 3.25Å; P16-S31 PolarHBondContact O-N 2.84Å
17N97.7Very high97Very high130 Ų13056.8 Ų56.870%0.69529%0.294SS*.THydrogen-bonded Turntrans-95.8-9.8-175.6-62.8-31.8000113.5K15 T29K15-N17 PolarHBondContact O-N 3.19Å; K15-N17 VanDerWaalsContact O-N 3.11Å; N17-T29 WeakPolarHBondContact O-CG2 3.43Å
18D96.5Very high97Very high87 Ų8753.5 Ų53.547%0.46528%0.279SS..SBendtrans-69.4147174.9-7213.4000109.4K15 A20 T29 Y30K15-D18 HydrophobicContact CB-CB 4.04Å; K15-D18 WeakPolarHBondContact CB-OD2 3.47Å; K15-D18 HydrophobicContact CD-CB 4.07Å; K15-D18 VanDerWaalsContact CD-OD2 3.27Å; K15-D18 WeakPolarHBondContact CD-OD2 3.39Å; K15-D18 HydrophobicContact CG-CB 4.31Å; K15-D18 PolarHBondContact O-N 2.92Å; D18-A20 PolarHBondContact O-N 2.95Å; D18-T29 CarbonylContact O-C 3.44Å; D18-T29 WeakPolarHBondContact O-CA 3.38Å; D18-T29 WeakPolarHBondContact O-CB 3.27Å; D18-Y30 HydrophobicContact CB-CD2 4.12Å; D18-Y30 HydrophobicContact CB-CE2 4.4Å; D18-Y30 WeakPolarHBondContact O-CD2 3.46Å; D18-Y30 PolarHBondContact O-N 3.42Å
19I97Very high97.1Very high34 Ų3454.4 Ų54.417%0.17429%0.285CS..EExtended strand (participates in β ladder)trans-70122.8179.2-57.7169.1000108.5L21 H22 T27 T193 I212 Y215I19-L21 VanDerWaalsContact CG2-O 3.29Å; I19-L21 WeakPolarHBondContact CG2-O 3.41Å; I19-H22 HydrophobicContact CG2-CB 4.38Å; I19-T27 HydrophobicContact CB-CG2 4.29Å; I19-T27 HydrophobicContact CD1-CG2 3.62Å; I19-T27 HydrophobicContact CG1-CG2 3.72Å; I19-T27 HydrophobicContact CG2-CG2 3.59Å; I19-T193 HydrophobicContact CB-CG2 4.23Å; I19-T193 HydrophobicContact CG2-CG2 3.69Å; I19-T193 WeakPolarHBondContact O-CB 3.22Å; I19-T193 PolarHBondContact O-OG1 2.88Å; I19-I212 HydrophobicContact CD1-CD1 3.98Å; I19-I212 HydrophobicContact CD1-CG1 4.47Å; I19-I212 HydrophobicContact CD1-CG2 4.18Å; I19-Y215 WeakPolarHBondContact CB-OH 3.18Å
20A98.3Very high97.2Very high0 Ų050.3 Ų50.30%027%0.267CS..EExtended strand (participates in β ladder)trans-88.1-45.4172.100000110.8D18 I28 Y30 L33 L188 F194D18-A20 PolarHBondContact O-N 2.95Å; A20-I28 PolarHBondContact N-O 3.42Å; A20-Y30 HydrophobicContact CB-CD1 3.79Å; A20-Y30 HydrophobicContact CB-CD2 3.9Å; A20-Y30 HydrophobicContact CB-CE1 3.88Å; A20-Y30 HydrophobicContact CB-CE2 3.99Å; A20-Y30 HydrophobicContact CB-CG 3.78Å; A20-L33 HydrophobicContact CB-CB 4.4Å; A20-L33 HydrophobicContact CB-CD2 3.84Å; A20-L188 HydrophobicContact CB-CD2 4.1Å; A20-F194 PolarHBondContact O-N 3.06Å
21L98.3Very high97.2Very high1 Ų150 Ų501%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-127.5136.4-177.2-51.3177.7000110.8I19 T27 I28 L33 I64 L184 L188 F194I19-L21 VanDerWaalsContact CG2-O 3.29Å; I19-L21 WeakPolarHBondContact CG2-O 3.41Å; L21-T27 WeakPolarHBondContact O-CA 3.31Å; L21-I28 HydrophobicContact CB-CB 4.26Å; L21-I28 HydrophobicContact CD1-CD1 4.33Å; L21-I28 PolarHBondContact N-O 2.9Å; L21-I28 PolarHBondContact O-N 3.28Å; L21-L33 HydrophobicContact CD1-CD1 3.81Å; L21-L33 HydrophobicContact CD1-CD2 4.26Å; L21-L33 HydrophobicContact CG-CD2 4.21Å; L21-I64 HydrophobicContact CD1-CD1 4.07Å; L21-I64 HydrophobicContact CD1-CG2 4.03Å; L21-I64 HydrophobicContact CD2-CD1 4.21Å; L21-L184 HydrophobicContact CD2-CD1 3.78Å; L21-L188 HydrophobicContact CD2-CD1 4.47Å; L21-L188 HydrophobicContact CD2-CD2 4.04Å; L21-F194 CarbonylContact C-O 3.6Å; L21-F194 WeakPolarHBondContact CA-O 3.33Å; L21-F194 HydrophobicContact CD2-CB 3.95Å; L21-F194 HydrophobicContact CD2-CD1 4.18Å
22H97.3Very high97.3Very high7 Ų752.8 Ų52.83%0.03228%0.28CS..EExtended strand (participates in β ladder)trans-130.599.5166.2-172.455.4000109I19 E26 T27 T193 F194 I195 G196 I212I19-H22 HydrophobicContact CG2-CB 4.38Å; H22-E26 CarbonylContact C-O 3.58Å; H22-E26 WeakPolarHBondContact CA-O 3.38Å; H22-T27 PolarHBondContact CE1-OG1 3.04Å; H22-T27 PolarHBondContact ND1-OG1 2.97Å; H22-T193 HydrophobicContact CB-CG2 4.38Å; H22-F194 PolarHBondContact N-O 3.33Å; H22-I195 HydrophobicContact CB-CG1 4.42Å; H22-I195 VanDerWaalsContact O-CA 3.29Å; H22-I195 WeakPolarHBondContact O-CA 3.37Å; H22-G196 PolarHBondContact O-N 3.17Å; H22-I212 HydrophobicContact CB-CD1 4.05Å
23I97.4Very high97.3Very high4 Ų452.1 Ų52.12%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-125.2117.1-173.7-57.5-175.4000109.1D25 E26 P60 V61 I64 F194 G196I23-D25 PolarHBondContact O-N 3.32Å; I23-E26 PolarHBondContact N-O 3.45Å; I23-E26 WeakPolarHBondContact O-CB 3.39Å; I23-E26 PolarHBondContact O-N 2.82Å; I23-P60 HydrophobicContact CD1-CB 4.15Å; I23-P60 HydrophobicContact CG2-CB 4.14Å; I23-P60 HydrophobicContact CG2-CG 4.2Å; I23-V61 HydrophobicContact CB-CG2 3.9Å; I23-V61 HydrophobicContact CD1-CG2 3.88Å; I23-V61 HydrophobicContact CG1-CG2 4.29Å; I23-V61 HydrophobicContact CG2-CG2 4.27Å; I23-I64 HydrophobicContact CD1-CD1 3.48Å; I23-I64 VanDerWaalsContact CD1-CD1 3.48Å; I23-F194 HydrophobicContact CD1-CD1 4.27Å; I23-F194 HydrophobicContact CD1-CE1 4.17Å; I23-G196 WeakPolarHBondContact CA-O 3.23Å
24D95.5Very high97.4Very high41 Ų4148.2 Ų48.222%0.21926%0.259CS..THydrogen-bonded Turntrans49.8-115.6-169.1-57.4-50.5000111.2G196 Q197 T198 Q208D24-G196 PolarHBondContact N-O 3.06Å; D24-Q197 WeakPolarHBondContact OD1-CA 3.45Å; D24-T198 PolarHBondContact OD1-N 3.19Å; D24-T198 WeakPolarHBondContact OD2-CB 3.22Å; D24-T198 PolarHBondContact OD2-N 2.97Å; D24-T198 PolarHBondContact OD2-OG1 3.08Å; D24-Q208 PolarHBondContact O-NE2 3.05Å
25D92.7Very high97.4Very high139 Ų13945.1 Ų45.174%0.74325%0.251SS*.THydrogen-bonded Turntrans-94.1-2.7177.4-65.3-51.7000113.3I23 K211I23-D25 PolarHBondContact O-N 3.32Å; D25-K211 IonicContact OD1-NZ 3.46Å
26E95.6Very high97.5Very high67 Ų6747 Ų4731%0.31326%0.257SS..EExtended strand (participates in β ladder)trans-92.6127.3-177.4-169.7166.9-168.500111.7H22 I23 I28 R36 V61H22-E26 CarbonylContact C-O 3.58Å; H22-E26 WeakPolarHBondContact CA-O 3.38Å; I23-E26 PolarHBondContact N-O 3.45Å; I23-E26 WeakPolarHBondContact O-CB 3.39Å; I23-E26 PolarHBondContact O-N 2.82Å; E26-I28 HydrophobicContact CG-CD1 4.14Å; E26-I28 HydrophobicContact CG-CG1 3.96Å; E26-R36 IonicContact OE1-CZ 3.63Å; E26-R36 IonicContact OE1-NH1 3.88Å; E26-R36 PolarHBondContact OE1-NH1 3.13Å; E26-R36 IonicContact OE1-NH2 3.41Å; E26-R36 PolarHBondContact OE1-NH2 3.1Å; E26-V61 WeakPolarHBondContact OE2-CG2 3.41Å
27T96.4Very high97.5Very high61 Ų6145 Ų4537%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-121.4126.7177.3-54.40000109.2I19 L21 H22I19-T27 HydrophobicContact CB-CG2 4.29Å; I19-T27 HydrophobicContact CD1-CG2 3.62Å; I19-T27 HydrophobicContact CG1-CG2 3.72Å; I19-T27 HydrophobicContact CG2-CG2 3.59Å; L21-T27 WeakPolarHBondContact O-CA 3.31Å; H22-T27 PolarHBondContact CE1-OG1 3.04Å; H22-T27 PolarHBondContact ND1-OG1 2.97Å
28I98.2Very high97.6Very high1 Ų141.2 Ų41.21%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-130121.7-174.7-52.9179.7000108.6A20 L21 E26 Q32 L33 V61A20-I28 PolarHBondContact N-O 3.42Å; L21-I28 HydrophobicContact CB-CB 4.26Å; L21-I28 HydrophobicContact CD1-CD1 4.33Å; L21-I28 PolarHBondContact N-O 2.9Å; L21-I28 PolarHBondContact O-N 3.28Å; E26-I28 HydrophobicContact CG-CD1 4.14Å; E26-I28 HydrophobicContact CG-CG1 3.96Å; I28-Q32 HydrophobicContact CG2-CB 3.66Å; I28-L33 HydrophobicContact CG2-CB 3.81Å; I28-L33 VanDerWaalsContact CG2-N 3.33Å; I28-V61 HydrophobicContact CD1-CG1 3.54Å; I28-V61 HydrophobicContact CD1-CG2 4.42Å
29T98.3Very high97.6Very high25 Ų2540 Ų4015%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-73.5163.6173.470.90000111.9P16 N17 D18 S31 Q32 L33P16-T29 WeakPolarHBondContact O-CB 3.27Å; P16-T29 PolarHBondContact O-OG1 3.1Å; N17-T29 WeakPolarHBondContact O-CG2 3.43Å; D18-T29 CarbonylContact O-C 3.44Å; D18-T29 WeakPolarHBondContact O-CA 3.38Å; D18-T29 WeakPolarHBondContact O-CB 3.27Å; T29-S31 VanDerWaalsContact C-N 3.26Å; T29-S31 PolarHBondContact O-N 2.82Å; T29-Q32 PolarHBondContact O-N 2.84Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.16Å; T29-Q32 PolarHBondContact OG1-N 2.89Å; T29-L33 WeakPolarHBondContact O-CB 3.48Å; T29-L33 PolarHBondContact O-N 2.9Å
30Y98.7Very high97.7Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-54.9-41.9175-82.3-80.5000112.9L8 H11 K15 D18 A20 L33 N34 L188 G191 R192L8-Y30 HydrophobicContact CD1-CD1 3.67Å; L8-Y30 HydrophobicContact CD1-CE1 3.54Å; H11-Y30 HydrophobicContact CB-CD1 4.36Å; H11-Y30 HydrophobicContact CB-CE1 4.08Å; K15-Y30 HydrophobicContact CD-CD2 4.48Å; K15-Y30 HydrophobicContact CD-CE2 4.24Å; K15-Y30 HydrophobicContact CG-CD2 4.29Å; D18-Y30 HydrophobicContact CB-CD2 4.12Å; D18-Y30 HydrophobicContact CB-CE2 4.4Å; D18-Y30 WeakPolarHBondContact O-CD2 3.46Å; D18-Y30 PolarHBondContact O-N 3.42Å; A20-Y30 HydrophobicContact CB-CD1 3.79Å; A20-Y30 HydrophobicContact CB-CD2 3.9Å; A20-Y30 HydrophobicContact CB-CE1 3.88Å; A20-Y30 HydrophobicContact CB-CE2 3.99Å; A20-Y30 HydrophobicContact CB-CG 3.78Å; Y30-L33 PolarHBondContact O-N 3.36Å; Y30-N34 WeakPolarHBondContact O-CB 3.43Å; Y30-N34 PolarHBondContact O-N 2.93Å; Y30-L188 HydrophobicContact CE1-CD2 4.18Å; Y30-G191 WeakPolarHBondContact OH-CA 3.34Å; Y30-G191 PolarHBondContact OH-O 2.83Å; Y30-R192 PolarHBondContact OH-N 3.32Å; Y30-R192 PolarHBondContact OH-O 2.85Å
31S98.5Very high97.7Very high54 Ų5439.9 Ų39.938%0.37823%0.225SC..Hα-helixtrans-65.7-43.2178-172.10000112.1P16 T29 N34 A35P16-S31 WeakPolarHBondContact O-CB 3.25Å; P16-S31 PolarHBondContact O-N 2.84Å; T29-S31 VanDerWaalsContact C-N 3.26Å; T29-S31 PolarHBondContact O-N 2.82Å; S31-N34 PolarHBondContact O-N 2.83Å; S31-A35 PolarHBondContact O-N 2.95Å
32Q98.8Very high97.7Very high96 Ų9645.1 Ų45.145%0.44925%0.25SC..Hα-helixtrans-64.8-41.7176-70.4170.9-22.200111.8I28 T29 N34 A35 R36I28-Q32 HydrophobicContact CG2-CB 3.66Å; T29-Q32 PolarHBondContact O-N 2.84Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.16Å; T29-Q32 PolarHBondContact OG1-N 2.89Å; Q32-N34 VanDerWaalsContact C-N 3.35Å; Q32-A35 PolarHBondContact O-N 2.84Å; Q32-R36 WeakPolarHBondContact O-CG 3.22Å; Q32-R36 PolarHBondContact O-N 2.99Å
33L98.8Very high97.7Very high2 Ų247.3 Ų47.31%0.0127%0.266CS..Hα-helixtrans-59.9-48.4175.7176.758.4000109.9A20 L21 I28 T29 Y30 A35 R36 I37 I65 L68 L188A20-L33 HydrophobicContact CB-CB 4.4Å; A20-L33 HydrophobicContact CB-CD2 3.84Å; L21-L33 HydrophobicContact CD1-CD1 3.81Å; L21-L33 HydrophobicContact CD1-CD2 4.26Å; L21-L33 HydrophobicContact CG-CD2 4.21Å; I28-L33 HydrophobicContact CG2-CB 3.81Å; I28-L33 VanDerWaalsContact CG2-N 3.33Å; T29-L33 WeakPolarHBondContact O-CB 3.48Å; T29-L33 PolarHBondContact O-N 2.9Å; Y30-L33 PolarHBondContact O-N 3.36Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-A35 PolarHBondContact O-N 2.99Å; L33-R36 PolarHBondContact O-N 3.15Å; L33-I37 HydrophobicContact CD1-CD1 4Å; L33-I37 HydrophobicContact CD1-CG1 4.21Å; L33-I37 HydrophobicContact CG-CD1 3.82Å; L33-I37 HydrophobicContact CG-CG1 4.48Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.5Å; L33-I37 PolarHBondContact O-N 2.66Å; L33-I65 HydrophobicContact CD1-CG1 4.2Å; L33-L68 HydrophobicContact CD2-CD1 4.49Å; L33-L188 HydrophobicContact CD2-CD1 4.36Å; L33-L188 HydrophobicContact CD2-CD2 4.14Å
34N98.5Very high97.6Very high47 Ų4747.9 Ų47.925%0.25127%0.269SS..Hα-helixtrans-59.5-43177.2178.663.6000112.7T12 Y30 S31 Q32 R36 I37 T38 R72T12-N34 HydrophobicContact CG2-CB 3.61Å; Y30-N34 WeakPolarHBondContact O-CB 3.43Å; Y30-N34 PolarHBondContact O-N 2.93Å; S31-N34 PolarHBondContact O-N 2.83Å; Q32-N34 VanDerWaalsContact C-N 3.35Å; N34-R36 PolarHBondContact O-N 3.25Å; N34-I37 PolarHBondContact O-N 3.09Å; N34-T38 PolarHBondContact O-N 3.31Å; N34-T38 PolarHBondContact O-OG1 3.23Å; N34-T38 VanDerWaalsContact O-OG1 3.07Å; N34-R72 PolarHBondContact OD1-NH1 2.85Å; N34-R72 VanDerWaalsContact OD1-NH1 3.17Å; N34-R72 PolarHBondContact OD1-NH2 3.42Å
35A98.6Very high97.7Very high57 Ų5752 Ų5247%0.47129%0.287SS..Hα-helixtrans-61.6-42.6176.400000112S31 Q32 L33 T38 S39S31-A35 PolarHBondContact O-N 2.95Å; Q32-A35 PolarHBondContact O-N 2.84Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-A35 PolarHBondContact O-N 2.99Å; A35-T38 PolarHBondContact O-N 3.26Å; A35-S39 PolarHBondContact O-N 3.06Å
36R98.7Very high97.7Very high91 Ų9153.2 Ų53.234%0.34329%0.286SS..Hα-helixtrans-66.7-38.8176.6-68.8-177.3-172.8-156.612.3112.6E26 Q32 L33 N34 S39 A40 I65E26-R36 IonicContact OE1-CZ 3.63Å; E26-R36 IonicContact OE1-NH1 3.88Å; E26-R36 PolarHBondContact OE1-NH1 3.13Å; E26-R36 IonicContact OE1-NH2 3.41Å; E26-R36 PolarHBondContact OE1-NH2 3.1Å; Q32-R36 WeakPolarHBondContact O-CG 3.22Å; Q32-R36 PolarHBondContact O-N 2.99Å; L33-R36 PolarHBondContact O-N 3.15Å; N34-R36 PolarHBondContact O-N 3.25Å; R36-S39 PolarHBondContact O-N 3.42Å; R36-A40 WeakPolarHBondContact O-CB 3.45Å; R36-A40 PolarHBondContact O-N 2.78Å; R36-I65 HydrophobicContact CB-CD1 3.87Å; R36-I65 HydrophobicContact CB-CG1 4.15Å; R36-I65 HydrophobicContact CB-CG2 4.37Å; R36-I65 HydrophobicContact CG-CD1 4.4Å
37I98.4Very high97.7Very high1 Ų155.5 Ų55.51%0.00529%0.292CS..Hα-helixtrans-62-46.5173.2-64.3161.8000110L33 N34 S39 A40 V41 L68 A69 R72L33-I37 HydrophobicContact CD1-CD1 4Å; L33-I37 HydrophobicContact CD1-CG1 4.21Å; L33-I37 HydrophobicContact CG-CD1 3.82Å; L33-I37 HydrophobicContact CG-CG1 4.48Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.5Å; L33-I37 PolarHBondContact O-N 2.66Å; N34-I37 PolarHBondContact O-N 3.09Å; I37-S39 PolarHBondContact O-N 3.49Å; I37-A40 PolarHBondContact O-N 3.44Å; I37-V41 HydrophobicContact CG2-CG2 4.38Å; I37-V41 VanDerWaalsContact O-CG2 3.31Å; I37-V41 WeakPolarHBondContact O-CG2 3.33Å; I37-V41 PolarHBondContact O-N 3.04Å; I37-L68 HydrophobicContact CD1-CB 3.76Å; I37-L68 HydrophobicContact CD1-CD1 3.58Å; I37-L68 HydrophobicContact CD1-CG 4.31Å; I37-L68 HydrophobicContact CG1-CB 3.98Å; I37-L68 HydrophobicContact CG1-CD1 4.33Å; I37-L68 HydrophobicContact CG2-CB 4.31Å; I37-A69 HydrophobicContact CG2-CB 4.26Å; I37-R72 HydrophobicContact CG2-CG 4.46Å
38T98.4Very high97.5Very high50 Ų5058 Ų5831%0.30731%0.312SS..Hα-helixtrans-59.5-45177.5-61.30000111.7N34 A35 A40 V41 E42 R72N34-T38 PolarHBondContact O-N 3.31Å; N34-T38 PolarHBondContact O-OG1 3.23Å; N34-T38 VanDerWaalsContact O-OG1 3.07Å; A35-T38 PolarHBondContact O-N 3.26Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 3.11Å; T38-V41 WeakPolarHBondContact O-CB 3.43Å; T38-V41 PolarHBondContact O-N 2.87Å; T38-E42 WeakPolarHBondContact O-CG 3.12Å; T38-E42 PolarHBondContact O-N 3.09Å; T38-R72 PolarHBondContact OG1-NH1 2.95Å
39S98.5Very high97.2Very high63 Ų6358.6 Ų58.644%0.44132%0.315SS..Hα-helixtrans-62.9-38.3176.2-176.80000112.9A35 R36 I37 S43A35-S39 PolarHBondContact O-N 3.06Å; R36-S39 PolarHBondContact O-N 3.42Å; I37-S39 PolarHBondContact O-N 3.49Å; S39-S43 WeakPolarHBondContact O-CB 3.21Å; S39-S43 PolarHBondContact O-N 3.23Å; S39-S43 PolarHBondContact O-OG 3.23Å
40A97.9Very high96.9Very high13 Ų1358.6 Ų58.611%0.10731%0.314CS..Hα-helixtrans-66.8-40174.200000112R36 I37 T38 S43 L44 I65 A69R36-A40 WeakPolarHBondContact O-CB 3.45Å; R36-A40 PolarHBondContact O-N 2.78Å; I37-A40 PolarHBondContact O-N 3.44Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 3.11Å; A40-S43 PolarHBondContact O-N 2.97Å; A40-L44 WeakPolarHBondContact O-CB 3.28Å; A40-L44 VanDerWaalsContact O-CG 3.31Å; A40-L44 WeakPolarHBondContact O-CG 3.43Å; A40-L44 PolarHBondContact O-N 3.1Å; A40-I65 HydrophobicContact CB-CG2 3.64Å; A40-A69 HydrophobicContact CB-CB 3.76Å
41V98.3Very high96.6Very high17 Ų1760.4 Ų60.410%0.10333%0.326CS..Hα-helixtrans-57.9-53173.1166.30000110.3I37 T38 S43 L44 Q45 A69 R72 L73I37-V41 HydrophobicContact CG2-CG2 4.38Å; I37-V41 VanDerWaalsContact O-CG2 3.31Å; I37-V41 WeakPolarHBondContact O-CG2 3.33Å; I37-V41 PolarHBondContact O-N 3.04Å; T38-V41 WeakPolarHBondContact O-CB 3.43Å; T38-V41 PolarHBondContact O-N 2.87Å; V41-S43 PolarHBondContact O-N 2.86Å; V41-L44 PolarHBondContact O-N 2.9Å; V41-L44 VanDerWaalsContact O-N 3.15Å; V41-Q45 HydrophobicContact CG1-CG 4.29Å; V41-Q45 VanDerWaalsContact O-CG 3.29Å; V41-Q45 WeakPolarHBondContact O-CG 3.49Å; V41-Q45 PolarHBondContact O-N 2.77Å; V41-A69 HydrophobicContact CG2-CB 3.84Å; V41-R72 HydrophobicContact CG2-CB 3.73Å; V41-R72 HydrophobicContact CG2-CG 4.45Å; V41-L73 HydrophobicContact CG1-CD2 3.86Å; V41-L73 HydrophobicContact CG1-CG 4.39Å; V41-L73 HydrophobicContact CG2-CG 4.46Å
42E98.1Very high96.4Very high111 Ų11158.4 Ų58.452%0.51931%0.312SS..Hα-helixtrans-58.2-36.9178.4-70.6169.1-176.800112.7T38T38-E42 WeakPolarHBondContact O-CG 3.12Å; T38-E42 PolarHBondContact O-N 3.09Å
43S96.7Very high96.2Very high54 Ų5453.9 Ų53.938%0.37829%0.29SS..Hα-helixtrans-69.7-43.1177.4-610000111.7S39 A40 V41 Y47S39-S43 WeakPolarHBondContact O-CB 3.21Å; S39-S43 PolarHBondContact O-N 3.23Å; S39-S43 PolarHBondContact O-OG 3.23Å; A40-S43 PolarHBondContact O-N 2.97Å; V41-S43 PolarHBondContact O-N 2.86Å; S43-Y47 WeakPolarHBondContact O-CE2 3.48Å
44L97.2Very high96.1Very high16 Ų1653.8 Ų53.88%0.08429%0.29CS..Hα-helixtrans-77.7-27.2-177-72.8173.2000113.4A40 V41 K46 Y47 L49 A69 L70 L73 I102A40-L44 WeakPolarHBondContact O-CB 3.28Å; A40-L44 VanDerWaalsContact O-CG 3.31Å; A40-L44 WeakPolarHBondContact O-CG 3.43Å; A40-L44 PolarHBondContact O-N 3.1Å; V41-L44 PolarHBondContact O-N 2.9Å; V41-L44 VanDerWaalsContact O-N 3.15Å; L44-K46 PolarHBondContact O-N 2.91Å; L44-K46 VanDerWaalsContact O-N 3.13Å; L44-Y47 PolarHBondContact O-N 3.42Å; L44-L49 HydrophobicContact CB-CD1 4.23Å; L44-L49 HydrophobicContact CD2-CD1 4.45Å; L44-A69 HydrophobicContact CD1-CB 4.32Å; L44-L70 HydrophobicContact CD1-CD2 4.38Å; L44-L73 HydrophobicContact CB-CD1 3.5Å; L44-L73 HydrophobicContact CD1-CD1 4.12Å; L44-L73 HydrophobicContact CG-CD1 4.48Å; L44-I102 HydrophobicContact CD1-CD1 4.12Å; L44-I102 HydrophobicContact CD2-CD1 3.81Å
45Q95.7Very high96Very high126 Ų12651.6 Ų51.659%0.58928%0.278SS*.THydrogen-bonded Turntrans-60.5-20.7176.1-79.9178-15.600113.9V41 Y47 L73V41-Q45 HydrophobicContact CG1-CG 4.29Å; V41-Q45 VanDerWaalsContact O-CG 3.29Å; V41-Q45 WeakPolarHBondContact O-CG 3.49Å; V41-Q45 PolarHBondContact O-N 2.77Å; Q45-Y47 PolarHBondContact O-N 2.82Å; Q45-L73 HydrophobicContact CG-CD2 3.39Å
46K94.3Very high95.8Very high166 Ų16650.3 Ų50.372%0.72226%0.263SS*.THydrogen-bonded Turntrans-69.2-16.5177-59.9173.9-172.8173.40112.5L44L44-K46 PolarHBondContact O-N 2.91Å; L44-K46 VanDerWaalsContact O-N 3.13Å
47Y94.2Very high95.5Very high114 Ų11447.1 Ų47.145%0.44725%0.253SS..SBendtrans-107.3142.4-178.5-54-80.5000110.7S43 L44 Q45 L49 L107 Q109S43-Y47 WeakPolarHBondContact O-CE2 3.48Å; L44-Y47 PolarHBondContact O-N 3.42Å; Q45-Y47 PolarHBondContact O-N 2.82Å; Y47-L49 PolarHBondContact O-N 2.98Å; Y47-L49 VanDerWaalsContact O-N 3.1Å; Y47-L107 HydrophobicContact CD1-CD2 3.72Å; Y47-L107 HydrophobicContact CD2-CD2 3.65Å; Y47-L107 HydrophobicContact CE1-CD2 4.15Å; Y47-L107 HydrophobicContact CE2-CD2 4.09Å; Y47-L107 HydrophobicContact CG-CD2 3.43Å; Y47-L107 VanDerWaalsContact CG-CD2 3.43Å; Y47-Q109 VanDerWaalsContact CD1-OE1 3.3Å
48S92.2Very high95.1Very high113 Ų11353.9 Ų53.979%0.7928%0.282SS*.  trans-82.286.2169.8-156.10000108.9Q109S48-Q109 PolarHBondContact O-NE2 2.83Å
49L93.5Very high94.9Very high14 Ų1453.7 Ų53.77%0.07328%0.283CS..  trans-76.9138.4-177.5-63.4173.9000111.9L44 Y47 V53 L70 L73 K75 D100 L107L44-L49 HydrophobicContact CB-CD1 4.23Å; L44-L49 HydrophobicContact CD2-CD1 4.45Å; Y47-L49 PolarHBondContact O-N 2.98Å; Y47-L49 VanDerWaalsContact O-N 3.1Å; L49-V53 HydrophobicContact CB-CG2 4.11Å; L49-V53 HydrophobicContact CD1-CG2 4.35Å; L49-V53 HydrophobicContact CD2-CG2 4.35Å; L49-L70 HydrophobicContact CD1-CD2 4.02Å; L49-L73 HydrophobicContact CD1-CD1 4.31Å; L49-K75 HydrophobicContact CB-CD 4.37Å; L49-K75 PolarHBondContact O-NZ 3.33Å; L49-D100 WeakPolarHBondContact CA-OD2 3.39Å; L49-L107 HydrophobicContact CD2-CD1 4Å; L49-L107 HydrophobicContact CD2-CD2 3.73Å
50N92.1Very high94.8Very high25 Ų2551.5 Ų51.513%0.13427%0.267CS..  trans-62158.6167.7-72.1-87.6000110.8V52 K75 D100N50-V52 VanDerWaalsContact C-N 3.26Å; N50-V52 PolarHBondContact O-N 3.49Å; N50-K75 WeakPolarHBondContact O-CD 3.32Å; N50-D100 VanDerWaalsContact CB-OD2 3.31Å; N50-D100 WeakPolarHBondContact CB-OD2 3.33Å; N50-D100 PolarHBondContact N-OD2 3.14Å; N50-D100 VanDerWaalsContact ND2-CG 3.33Å; N50-D100 PolarHBondContact ND2-OD1 3.24Å; N50-D100 PolarHBondContact ND2-OD2 2.98Å
51P91.7Very high94.8Very high38 Ų3851.1 Ų51.125%0.24726%0.263CS..SBendtrans-57.3-36.2-177.1-27.736.5000114.4K75 V76 L122P51-K75 WeakPolarHBondContact O-CA 3.45Å; P51-V76 PolarHBondContact O-N 2.83Å; P51-L122 HydrophobicContact CB-CD1 3.44Å; P51-L122 VanDerWaalsContact CB-CD1 3.44Å
52V93.5Very high94.7Very high13 Ų1354 Ų548%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-105.7131.4174.2-176.70000109.4N50 V76 M78 I117 L122 I131N50-V52 VanDerWaalsContact C-N 3.26Å; N50-V52 PolarHBondContact O-N 3.49Å; V52-V76 WeakPolarHBondContact CA-O 3.16Å; V52-V76 HydrophobicContact CG2-CB 4.33Å; V52-M78 HydrophobicContact CG1-CB 3.78Å; V52-M78 HydrophobicContact CG1-CE 4.06Å; V52-I117 HydrophobicContact CG2-CB 4.3Å; V52-I117 HydrophobicContact CG2-CG2 3.91Å; V52-L122 HydrophobicContact CG2-CD1 3.9Å; V52-L122 HydrophobicContact CG2-CD2 4.25Å; V52-I131 HydrophobicContact CG1-CD1 3.85Å; V52-I131 HydrophobicContact CG2-CD1 3.96Å
53V95.5Very high94.7Very high0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-127.9122.6176.7-176.90000109.2L49 L70 K75 V76 P77 M78 D100 I102L49-V53 HydrophobicContact CB-CG2 4.11Å; L49-V53 HydrophobicContact CD1-CG2 4.35Å; L49-V53 HydrophobicContact CD2-CG2 4.35Å; V53-L70 HydrophobicContact CB-CD1 3.85Å; V53-L70 HydrophobicContact CB-CD2 3.75Å; V53-L70 HydrophobicContact CB-CG 4.48Å; V53-L70 HydrophobicContact CG1-CD1 4.03Å; V53-L70 HydrophobicContact CG1-CD2 3.98Å; V53-L70 HydrophobicContact CG2-CD2 3.8Å; V53-K75 HydrophobicContact CG2-CB 4.4Å; V53-V76 PolarHBondContact N-O 3.42Å; V53-P77 WeakPolarHBondContact O-CA 2.85Å; V53-M78 PolarHBondContact O-N 3.12Å; V53-D100 HydrophobicContact CB-CB 4.49Å; V53-D100 HydrophobicContact CG1-CB 4.09Å; V53-D100 HydrophobicContact CG2-CB 4.18Å; V53-I102 HydrophobicContact CG1-CD1 3.74Å; V53-I102 HydrophobicContact CG1-CG1 3.84Å
54A96.1Very high94.8Very high0 Ų046.6 Ų46.60%024%0.236CC..EExtended strand (participates in β ladder)trans-79.4140.3177.800000111.9M78 M80 I98 D100 V101 I102A54-M78 CarbonylContact C-O 3.49Å; A54-M78 VanDerWaalsContact CA-O 3.22Å; A54-M78 WeakPolarHBondContact CA-O 3.47Å; A54-M78 HydrophobicContact CB-CB 4.29Å; A54-M80 HydrophobicContact CB-CG 4.13Å; A54-M80 HydrophobicContact CB-SD 3.76Å; A54-I98 HydrophobicContact CB-CD1 4.41Å; A54-I98 HydrophobicContact CB-CG2 3.42Å; A54-I98 VanDerWaalsContact CB-CG2 3.42Å; A54-D100 PolarHBondContact N-O 2.82Å; A54-V101 HydrophobicContact CB-CG1 4.45Å; A54-V101 HydrophobicContact CB-CG2 4.14Å; A54-V101 CarbonylContact O-C 3.52Å; A54-V101 WeakPolarHBondContact O-CA 3.45Å; A54-I102 PolarHBondContact O-N 3.4Å
55I97.3Very high94.8Very high1 Ų146 Ų461%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-109.4117.3173.2-57.1178.4000107.3M57 C66 Y67 L70 P77 M78 M79 M80I55-M57 HydrophobicContact CG2-CG 3.94Å; I55-M57 HydrophobicContact CG2-SD 4.29Å; I55-C66 HydrophobicContact CD1-CB 4.12Å; I55-Y67 HydrophobicContact CD1-CD2 4.35Å; I55-L70 HydrophobicContact CD1-CD1 3.94Å; I55-L70 HydrophobicContact CG1-CD1 3.96Å; I55-P77 HydrophobicContact CD1-CB 4.12Å; I55-M78 PolarHBondContact N-O 2.87Å; I55-M79 HydrophobicContact CB-SD 4.07Å; I55-M79 HydrophobicContact CD1-SD 3.85Å; I55-M79 HydrophobicContact CG1-SD 4.41Å; I55-M80 WeakPolarHBondContact O-CB 3.3Å; I55-M80 PolarHBondContact O-N 3.03Å
56N94.2Very high95Very high30 Ų3040.5 Ų40.516%0.1621%0.208CC..EExtended strand (participates in β ladder)trans-131.467.5-179.3-174.627.3000110.1M80 G82 H89 V101 I102 G103N56-M80 HydrophobicContact CB-CB 4.19Å; N56-M80 HydrophobicContact CB-SD 4.45Å; N56-G82 VanDerWaalsContact OD1-CA 3.3Å; N56-G82 WeakPolarHBondContact OD1-CA 3.45Å; N56-H89 PolarHBondContact OD1-NE2 3.43Å; N56-V101 HydrophobicContact CB-CG1 3.92Å; N56-I102 PolarHBondContact N-O 3.29Å; N56-G103 VanDerWaalsContact O-CA 3.3Å; N56-G103 WeakPolarHBondContact O-CA 3.29Å
57M92.4Very high95.2Very high24 Ų2432.7 Ų32.712%0.11817%0.174CC..  trans-119.2148.8-175.3-45.7-175.976.700111I55 Q62 C66 I102 D104I55-M57 HydrophobicContact CG2-CG 3.94Å; I55-M57 HydrophobicContact CG2-SD 4.29Å; M57-Q62 HydrophobicContact CE-CB 3.76Å; M57-Q62 HydrophobicContact CE-CG 3.25Å; M57-Q62 HydrophobicContact SD-CB 4.1Å; M57-Q62 HydrophobicContact SD-CG 3.89Å; M57-C66 HydrophobicContact SD-CB 4.44Å; M57-I102 HydrophobicContact SD-CG2 4.08Å; M57-D104 WeakPolarHBondContact CA-OD1 3.33Å
58K90.5Very high95.4Very high144 Ų14427.4 Ų27.463%0.62615%0.153SC*.SBendtrans-82.4-31175.1-69.1171.2-169.5173.40112.4P60 D104K58-P60 WeakPolarHBondContact O-CD 3.41Å; K58-D104 VanDerWaalsContact CD-OD2 3.31Å; K58-D104 WeakPolarHBondContact CD-OD2 3.32Å; K58-D104 VanDerWaalsContact CG-OD2 3.24Å; K58-D104 WeakPolarHBondContact CG-OD2 3.38Å; K58-D104 PolarHBondContact N-OD1 2.89Å; K58-D104 PolarHBondContact N-OD2 3.25Å
59S93.7Very high95.6Very high45 Ų4522 Ų2232%0.31512%0.116SC..  trans-74.8119.8177.7173.20000110.5Q62 S63S59-Q62 PolarHBondContact OG-N 2.97Å; S59-S63 WeakPolarHBondContact O-CB 3.22Å; S59-S63 PolarHBondContact O-N 3.25Å; S59-S63 PolarHBondContact O-OG 2.91Å
60P96Very high95.9Very high17 Ų1721.3 Ų21.311%0.1111%0.112CC..Hα-helixtrans-64.3-43.8174.7-19.631.8000111.4I23 K58 Q62 S63 I64 L175 T198I23-P60 HydrophobicContact CD1-CB 4.15Å; I23-P60 HydrophobicContact CG2-CB 4.14Å; I23-P60 HydrophobicContact CG2-CG 4.2Å; K58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-Q62 VanDerWaalsContact C-N 3.33Å; P60-Q62 PolarHBondContact O-N 3.34Å; P60-S63 WeakPolarHBondContact O-CB 3.29Å; P60-S63 PolarHBondContact O-N 3.42Å; P60-I64 WeakPolarHBondContact O-CG1 3.45Å; P60-I64 PolarHBondContact O-N 2.89Å; P60-L175 HydrophobicContact CB-CD1 3.87Å; P60-L175 WeakPolarHBondContact O-CD1 3.39Å; P60-T198 WeakPolarHBondContact CD-OG1 3.24Å
61V97.8Very high96.1Very high5 Ų520.7 Ų20.73%0.0311%0.108CC..Hα-helixtrans-57.9-46.7179.4170.50000111.1I23 E26 I28 I64 I65I23-V61 HydrophobicContact CB-CG2 3.9Å; I23-V61 HydrophobicContact CD1-CG2 3.88Å; I23-V61 HydrophobicContact CG1-CG2 4.29Å; I23-V61 HydrophobicContact CG2-CG2 4.27Å; E26-V61 WeakPolarHBondContact OE2-CG2 3.41Å; I28-V61 HydrophobicContact CD1-CG1 3.54Å; I28-V61 HydrophobicContact CD1-CG2 4.42Å; V61-I64 PolarHBondContact O-N 3.43Å; V61-I65 HydrophobicContact CG1-CD1 3.78Å; V61-I65 WeakPolarHBondContact O-CD1 3.46Å; V61-I65 WeakPolarHBondContact O-CG1 3.4Å; V61-I65 PolarHBondContact O-N 2.71Å
62Q96.3Very high96.3Very high79 Ų7922.7 Ų22.737%0.36911%0.111SC..Hα-helixtrans-68.3-38.3-179.8-154.964.618.900111.7M57 S59 P60 I64 I65 C66M57-Q62 HydrophobicContact CE-CB 3.76Å; M57-Q62 HydrophobicContact CE-CG 3.25Å; M57-Q62 HydrophobicContact SD-CB 4.1Å; M57-Q62 HydrophobicContact SD-CG 3.89Å; S59-Q62 PolarHBondContact OG-N 2.97Å; P60-Q62 VanDerWaalsContact C-N 3.33Å; P60-Q62 PolarHBondContact O-N 3.34Å; Q62-I64 VanDerWaalsContact C-N 3.33Å; Q62-I64 PolarHBondContact O-N 2.74Å; Q62-I65 PolarHBondContact O-N 2.99Å; Q62-C66 WeakPolarHBondContact O-CB 3.32Å; Q62-C66 PolarHBondContact O-N 3.43Å; Q62-C66 PolarHBondContact O-SG 2.87Å; Q62-C66 VanDerWaalsContact O-SG 3.41Å
63S97.7Very high96.4Very high7 Ų723.3 Ų23.35%0.04911%0.114CC..Hα-helixtrans-57.4-44.2172.3-610000112.1S59 P60 C66 Y67S59-S63 WeakPolarHBondContact O-CB 3.22Å; S59-S63 PolarHBondContact O-N 3.25Å; S59-S63 PolarHBondContact O-OG 2.91Å; P60-S63 WeakPolarHBondContact O-CB 3.29Å; P60-S63 PolarHBondContact O-N 3.42Å; S63-C66 PolarHBondContact O-N 3.13Å; S63-Y67 VanDerWaalsContact O-CB 3.23Å; S63-Y67 WeakPolarHBondContact O-CB 3.29Å; S63-Y67 PolarHBondContact O-N 3.34Å
64I98.6Very high96.3Very high2 Ų231 Ų311%0.0115%0.149CC..Hα-helixtrans-63.4-47.4178.9-64.6167.5000110.8L21 I23 P60 V61 Q62 Y67 L68 L175 L184L21-I64 HydrophobicContact CD1-CD1 4.07Å; L21-I64 HydrophobicContact CD1-CG2 4.03Å; L21-I64 HydrophobicContact CD2-CD1 4.21Å; I23-I64 HydrophobicContact CD1-CD1 3.48Å; I23-I64 VanDerWaalsContact CD1-CD1 3.48Å; P60-I64 WeakPolarHBondContact O-CG1 3.45Å; P60-I64 PolarHBondContact O-N 2.89Å; V61-I64 PolarHBondContact O-N 3.43Å; Q62-I64 VanDerWaalsContact C-N 3.33Å; Q62-I64 PolarHBondContact O-N 2.74Å; I64-Y67 PolarHBondContact O-N 3.25Å; I64-L68 HydrophobicContact CG2-CD1 3.84Å; I64-L68 WeakPolarHBondContact O-CG 3.36Å; I64-L68 PolarHBondContact O-N 3.41Å; I64-L175 HydrophobicContact CD1-CD1 4.03Å; I64-L175 HydrophobicContact CG1-CD1 3.56Å; I64-L184 HydrophobicContact CB-CD2 4.43Å; I64-L184 HydrophobicContact CD1-CD1 3.75Å; I64-L184 HydrophobicContact CD1-CD2 3.99Å; I64-L184 HydrophobicContact CG1-CD1 4.21Å; I64-L184 HydrophobicContact CG1-CD2 3.59Å; I64-L184 HydrophobicContact CG2-CD1 4.32Å; I64-L184 HydrophobicContact CG2-CD2 4.18Å
65I98.5Very high96.2Very high4 Ų433.4 Ų33.42%0.02116%0.16CC..Hα-helixtrans-60.9-47.8179.4-68.7160.1000110.1L33 R36 A40 V61 Q62 L68 A69L33-I65 HydrophobicContact CD1-CG1 4.2Å; R36-I65 HydrophobicContact CB-CD1 3.87Å; R36-I65 HydrophobicContact CB-CG1 4.15Å; R36-I65 HydrophobicContact CB-CG2 4.37Å; R36-I65 HydrophobicContact CG-CD1 4.4Å; A40-I65 HydrophobicContact CB-CG2 3.64Å; V61-I65 HydrophobicContact CG1-CD1 3.78Å; V61-I65 WeakPolarHBondContact O-CD1 3.46Å; V61-I65 WeakPolarHBondContact O-CG1 3.4Å; V61-I65 PolarHBondContact O-N 2.71Å; Q62-I65 PolarHBondContact O-N 2.99Å; I65-L68 PolarHBondContact O-N 3.14Å; I65-A69 WeakPolarHBondContact O-CB 3.32Å; I65-A69 PolarHBondContact O-N 2.91Å
66C98.3Very high96.1Very high9 Ų934.2 Ų34.26%0.06117%0.165CC..Hα-helixtrans-62.7-42.9177.6-740000112.1I55 M57 Q62 S63 L68 A69 L70I55-C66 HydrophobicContact CD1-CB 4.12Å; M57-C66 HydrophobicContact SD-CB 4.44Å; Q62-C66 WeakPolarHBondContact O-CB 3.32Å; Q62-C66 PolarHBondContact O-N 3.43Å; Q62-C66 PolarHBondContact O-SG 2.87Å; Q62-C66 VanDerWaalsContact O-SG 3.41Å; S63-C66 PolarHBondContact O-N 3.13Å; C66-L68 PolarHBondContact O-N 3.46Å; C66-A69 PolarHBondContact O-N 3.28Å; C66-L70 WeakPolarHBondContact O-CB 3.46Å; C66-L70 VanDerWaalsContact O-CG 3.31Å; C66-L70 WeakPolarHBondContact O-CG 3.45Å; C66-L70 PolarHBondContact O-N 3.34Å
67Y98.4Very high96.3Very high2 Ų232.8 Ų32.81%0.00816%0.157CC..Hα-helixtrans-57-50.9176.9-178.4-84000111.6I55 S63 I64 L70 H71 P77 M79 L129 H130 L181 L185I55-Y67 HydrophobicContact CD1-CD2 4.35Å; S63-Y67 VanDerWaalsContact O-CB 3.23Å; S63-Y67 WeakPolarHBondContact O-CB 3.29Å; S63-Y67 PolarHBondContact O-N 3.34Å; I64-Y67 PolarHBondContact O-N 3.25Å; Y67-L70 PolarHBondContact O-N 2.82Å; Y67-H71 AromaticContact CD1-CD2 3.91Å; Y67-H71 AromaticContact CE1-CD2 3.51Å; Y67-H71 AromaticContact CE1-NE2 3.6Å; Y67-H71 AromaticContact CZ-CD2 3.96Å; Y67-H71 AromaticContact CZ-NE2 3.59Å; Y67-H71 PolarHBondContact O-CD2 3.37Å; Y67-H71 PolarHBondContact O-N 3.13Å; Y67-P77 HydrophobicContact CD2-CB 3.49Å; Y67-P77 VanDerWaalsContact CD2-CB 3.49Å; Y67-P77 HydrophobicContact CD2-CG 3.72Å; Y67-P77 HydrophobicContact CE2-CB 3.7Å; Y67-P77 HydrophobicContact CE2-CG 3.8Å; Y67-P77 HydrophobicContact CG-CB 4.3Å; Y67-P77 HydrophobicContact CG-CG 4.17Å; Y67-M79 HydrophobicContact CD2-CG 4.2Å; Y67-M79 HydrophobicContact CD2-SD 3.62Å; Y67-M79 HydrophobicContact CE2-CG 4.23Å; Y67-M79 HydrophobicContact CE2-SD 4.25Å; Y67-L129 WeakPolarHBondContact OH-CG 3.49Å; Y67-L129 PolarHBondContact OH-O 3.12Å; Y67-H130 HydrophobicContact CE2-CB 3.81Å; Y67-H130 PolarHBondContact OH-ND1 2.88Å; Y67-L181 HydrophobicContact CD2-CD1 4.46Å; Y67-L181 HydrophobicContact CE2-CD1 4.28Å; Y67-L181 HydrophobicContact CE2-CD2 4.26Å; Y67-L185 HydrophobicContact CD1-CD2 4.45Å; Y67-L185 HydrophobicContact CE1-CD1 3.79Å; Y67-L185 HydrophobicContact CE1-CD2 4.01Å; Y67-L185 HydrophobicContact CE1-CG 4.46Å
68L98.5Very high96.4Very high3 Ų331.6 Ų31.62%0.01615%0.151CC..Hα-helixtrans-70.7-33.3-179.2-64.8171.3000112.2L8 L33 I37 I64 I65 C66 R72 L185 L188L8-L68 HydrophobicContact CD2-CD1 3.94Å; L8-L68 HydrophobicContact CD2-CD2 4.11Å; L33-L68 HydrophobicContact CD2-CD1 4.49Å; I37-L68 HydrophobicContact CD1-CB 3.76Å; I37-L68 HydrophobicContact CD1-CD1 3.58Å; I37-L68 HydrophobicContact CD1-CG 4.31Å; I37-L68 HydrophobicContact CG1-CB 3.98Å; I37-L68 HydrophobicContact CG1-CD1 4.33Å; I37-L68 HydrophobicContact CG2-CB 4.31Å; I64-L68 HydrophobicContact CG2-CD1 3.84Å; I64-L68 WeakPolarHBondContact O-CG 3.36Å; I64-L68 PolarHBondContact O-N 3.41Å; I65-L68 PolarHBondContact O-N 3.14Å; C66-L68 PolarHBondContact O-N 3.46Å; L68-R72 PolarHBondContact O-N 2.89Å; L68-L185 HydrophobicContact CD2-CD2 4.37Å; L68-L188 HydrophobicContact CD1-CD1 4.11Å
69A98.2Very high96.7Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-66.7-42.7175.600000112.2I37 A40 V41 L44 I65 C66 H71 R72 L73I37-A69 HydrophobicContact CG2-CB 4.26Å; A40-A69 HydrophobicContact CB-CB 3.76Å; V41-A69 HydrophobicContact CG2-CB 3.84Å; L44-A69 HydrophobicContact CD1-CB 4.32Å; I65-A69 WeakPolarHBondContact O-CB 3.32Å; I65-A69 PolarHBondContact O-N 2.91Å; C66-A69 PolarHBondContact O-N 3.28Å; A69-H71 VanDerWaalsContact C-N 3.29Å; A69-H71 PolarHBondContact O-N 3.35Å; A69-R72 WeakPolarHBondContact O-CB 3.36Å; A69-R72 PolarHBondContact O-N 2.9Å; A69-R72 VanDerWaalsContact O-N 3.12Å; A69-L73 WeakPolarHBondContact O-CG 3.45Å; A69-L73 PolarHBondContact O-N 3.02Å; A69-L73 VanDerWaalsContact O-N 3.1Å
70L97.9Very high96.7Very high0 Ų023.1 Ų23.10%011%0.109CC..Hα-helixtrans-59.8-39.7176.7-76.3172.2000112L44 L49 V53 I55 C66 Y67 R72 L73 H74 K75 P77 I102L44-L70 HydrophobicContact CD1-CD2 4.38Å; L49-L70 HydrophobicContact CD1-CD2 4.02Å; V53-L70 HydrophobicContact CB-CD1 3.85Å; V53-L70 HydrophobicContact CB-CD2 3.75Å; V53-L70 HydrophobicContact CB-CG 4.48Å; V53-L70 HydrophobicContact CG1-CD1 4.03Å; V53-L70 HydrophobicContact CG1-CD2 3.98Å; V53-L70 HydrophobicContact CG2-CD2 3.8Å; I55-L70 HydrophobicContact CD1-CD1 3.94Å; I55-L70 HydrophobicContact CG1-CD1 3.96Å; C66-L70 WeakPolarHBondContact O-CB 3.46Å; C66-L70 VanDerWaalsContact O-CG 3.31Å; C66-L70 WeakPolarHBondContact O-CG 3.45Å; C66-L70 PolarHBondContact O-N 3.34Å; Y67-L70 PolarHBondContact O-N 2.82Å; L70-R72 PolarHBondContact O-N 3.11Å; L70-L73 CarbonylContact O-C 3.53Å; L70-L73 WeakPolarHBondContact O-CA 3.36Å; L70-L73 WeakPolarHBondContact O-CB 3.43Å; L70-L73 PolarHBondContact O-N 3.06Å; L70-H74 PolarHBondContact O-N 3.16Å; L70-K75 HydrophobicContact CB-CB 4.2Å; L70-K75 HydrophobicContact CD2-CB 3.95Å; L70-K75 HydrophobicContact CD2-CG 4.24Å; L70-K75 WeakPolarHBondContact O-CB 3.46Å; L70-K75 PolarHBondContact O-N 3.38Å; L70-P77 HydrophobicContact CB-CG 4.04Å; L70-P77 HydrophobicContact CD1-CB 4.2Å; L70-P77 HydrophobicContact CD1-CG 4.36Å; L70-I102 HydrophobicContact CD1-CD1 4.35Å; L70-I102 HydrophobicContact CD2-CD1 4.35Å
71H97Very high96.3Very high11 Ų1123.2 Ų23.25%0.05111%0.108CC..Hα-helixtrans-61-42.6173.1-86.8-64.6000113.2N2 L5 Y67 A69 L73 H74 L129N2-H71 PolarHBondContact ND2-CE1 3.5Å; N2-H71 PolarHBondContact ND2-ND1 3.5Å; L5-H71 HydrophobicContact CD1-CB 3.93Å; L5-H71 HydrophobicContact CD2-CB 3.43Å; L5-H71 VanDerWaalsContact CD2-CB 3.43Å; L5-H71 HydrophobicContact CG-CB 4.31Å; Y67-H71 AromaticContact CD1-CD2 3.91Å; Y67-H71 AromaticContact CE1-CD2 3.51Å; Y67-H71 AromaticContact CE1-NE2 3.6Å; Y67-H71 AromaticContact CZ-CD2 3.96Å; Y67-H71 AromaticContact CZ-NE2 3.59Å; Y67-H71 PolarHBondContact O-CD2 3.37Å; Y67-H71 PolarHBondContact O-N 3.13Å; A69-H71 VanDerWaalsContact C-N 3.29Å; A69-H71 PolarHBondContact O-N 3.35Å; H71-L73 PolarHBondContact O-N 3.27Å; H71-H74 PolarHBondContact O-N 3.49Å; H71-L129 PolarHBondContact CE1-O 2.94Å; H71-L129 PolarHBondContact NE2-O 3.08Å
72R95.9Very high95.5Very high80 Ų8023.7 Ų23.730%0.30211%0.114SC..Hα-helixtrans-64.7-19.7173.7-70.4-171.4-176.7-180-0.4113.4L5 N34 I37 T38 V41 L68 A69 L70 H74L5-R72 HydrophobicContact CD2-CG 4.2Å; N34-R72 PolarHBondContact OD1-NH1 2.85Å; N34-R72 VanDerWaalsContact OD1-NH1 3.17Å; N34-R72 PolarHBondContact OD1-NH2 3.42Å; I37-R72 HydrophobicContact CG2-CG 4.46Å; T38-R72 PolarHBondContact OG1-NH1 2.95Å; V41-R72 HydrophobicContact CG2-CB 3.73Å; V41-R72 HydrophobicContact CG2-CG 4.45Å; L68-R72 PolarHBondContact O-N 2.89Å; A69-R72 WeakPolarHBondContact O-CB 3.36Å; A69-R72 PolarHBondContact O-N 2.9Å; A69-R72 VanDerWaalsContact O-N 3.12Å; L70-R72 PolarHBondContact O-N 3.11Å; R72-H74 VanDerWaalsContact C-N 3.35Å
73L96Very high94.7Very high26 Ų2626.3 Ų26.314%0.13612%0.124CC..THydrogen-bonded Turntrans-93.58.1174.8-65172.1000113.2V41 L44 Q45 L49 A69 L70 H71 K75V41-L73 HydrophobicContact CG1-CD2 3.86Å; V41-L73 HydrophobicContact CG1-CG 4.39Å; V41-L73 HydrophobicContact CG2-CG 4.46Å; L44-L73 HydrophobicContact CB-CD1 3.5Å; L44-L73 HydrophobicContact CD1-CD1 4.12Å; L44-L73 HydrophobicContact CG-CD1 4.48Å; Q45-L73 HydrophobicContact CG-CD2 3.39Å; L49-L73 HydrophobicContact CD1-CD1 4.31Å; A69-L73 WeakPolarHBondContact O-CG 3.45Å; A69-L73 PolarHBondContact O-N 3.02Å; A69-L73 VanDerWaalsContact O-N 3.1Å; L70-L73 CarbonylContact O-C 3.53Å; L70-L73 WeakPolarHBondContact O-CA 3.36Å; L70-L73 WeakPolarHBondContact O-CB 3.43Å; L70-L73 PolarHBondContact O-N 3.06Å; H71-L73 PolarHBondContact O-N 3.27Å; L73-K75 HydrophobicContact CB-CG 3.94Å; L73-K75 WeakPolarHBondContact O-CE 3.48Å; L73-K75 PolarHBondContact O-N 3.1Å
74H93.1Very high93.9Very high161 Ų16128.1 Ų28.175%0.74513%0.13SC*.THydrogen-bonded Turntrans55.438.4-175.6-53.2-72.6000112.5L70 H71 R72L70-H74 PolarHBondContact O-N 3.16Å; H71-H74 PolarHBondContact O-N 3.49Å; R72-H74 VanDerWaalsContact C-N 3.35Å
75K94.3Very high93Very high51 Ų5134.4 Ų34.422%0.22216%0.159CC..  trans-110.3152.5174.2-52-57174.5170.30109.9L49 N50 P51 V53 L70 L73 P77L49-K75 HydrophobicContact CB-CD 4.37Å; L49-K75 PolarHBondContact O-NZ 3.33Å; N50-K75 WeakPolarHBondContact O-CD 3.32Å; P51-K75 WeakPolarHBondContact O-CA 3.45Å; V53-K75 HydrophobicContact CG2-CB 4.4Å; L70-K75 HydrophobicContact CB-CB 4.2Å; L70-K75 HydrophobicContact CD2-CB 3.95Å; L70-K75 HydrophobicContact CD2-CG 4.24Å; L70-K75 WeakPolarHBondContact O-CB 3.46Å; L70-K75 PolarHBondContact O-N 3.38Å; L73-K75 HydrophobicContact CB-CG 3.94Å; L73-K75 WeakPolarHBondContact O-CE 3.48Å; L73-K75 PolarHBondContact O-N 3.1Å; K75-P77 WeakPolarHBondContact O-CD 3.37Å
76V95.1Very high92.3Very high18 Ų1838.5 Ų38.511%0.10919%0.188CC..EExtended strand (participates in β ladder)trans-94.5114.7177.41790000108.7P51 V52 V53 L122 L128 I131P51-V76 PolarHBondContact O-N 2.83Å; V52-V76 WeakPolarHBondContact CA-O 3.16Å; V52-V76 HydrophobicContact CG2-CB 4.33Å; V53-V76 PolarHBondContact N-O 3.42Å; V76-L122 HydrophobicContact CG2-CD1 4.37Å; V76-L128 HydrophobicContact CB-CD2 4.39Å; V76-L128 HydrophobicContact CG1-CD2 3.58Å; V76-L128 HydrophobicContact CG1-CG 3.89Å; V76-L128 HydrophobicContact CG2-CD2 3.97Å; V76-L128 HydrophobicContact CG2-CG 4.37Å; V76-I131 HydrophobicContact CG1-CD1 4.18Å; V76-I131 HydrophobicContact CG1-CG1 4.03Å
77P97.3Very high91.6Very high0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-68.3134.6173.1-16.230.9000110.7V53 I55 Y67 L70 K75 H130 I131V53-P77 WeakPolarHBondContact O-CA 2.85Å; I55-P77 HydrophobicContact CD1-CB 4.12Å; Y67-P77 HydrophobicContact CD2-CB 3.49Å; Y67-P77 VanDerWaalsContact CD2-CB 3.49Å; Y67-P77 HydrophobicContact CD2-CG 3.72Å; Y67-P77 HydrophobicContact CE2-CB 3.7Å; Y67-P77 HydrophobicContact CE2-CG 3.8Å; Y67-P77 HydrophobicContact CG-CB 4.3Å; Y67-P77 HydrophobicContact CG-CG 4.17Å; L70-P77 HydrophobicContact CB-CG 4.04Å; L70-P77 HydrophobicContact CD1-CB 4.2Å; L70-P77 HydrophobicContact CD1-CG 4.36Å; K75-P77 WeakPolarHBondContact O-CD 3.37Å; P77-H130 CarbonylContact O-C 3.28Å; P77-H130 VanDerWaalsContact O-CA 3.31Å; P77-H130 WeakPolarHBondContact O-CA 3.32Å; P77-H130 VanDerWaalsContact O-CB 3.28Å; P77-H130 WeakPolarHBondContact O-CB 3.5Å; P77-I131 PolarHBondContact O-N 2.77Å
78M96.4Very high91Very high0 Ų042.6 Ų42.60%021%0.212CC..EExtended strand (participates in β ladder)trans-110.4112.6167.4177-176.4-81.600109.4V52 V53 A54 I55 M80 I98 I117 I131 F133V52-M78 HydrophobicContact CG1-CB 3.78Å; V52-M78 HydrophobicContact CG1-CE 4.06Å; V53-M78 PolarHBondContact O-N 3.12Å; A54-M78 CarbonylContact C-O 3.49Å; A54-M78 VanDerWaalsContact CA-O 3.22Å; A54-M78 WeakPolarHBondContact CA-O 3.47Å; A54-M78 HydrophobicContact CB-CB 4.29Å; I55-M78 PolarHBondContact N-O 2.87Å; M78-M80 PolarHBondContact O-N 3.07Å; M78-I98 HydrophobicContact CE-CG1 4.41Å; M78-I98 HydrophobicContact SD-CD1 3.33Å; M78-I98 WeakPolarHBondContact SD-CD1 3.33Å; M78-I98 HydrophobicContact SD-CG1 3.64Å; M78-I117 HydrophobicContact CE-CD1 3.6Å; M78-I131 CarbonylContact C-O 3.42Å; M78-I131 WeakPolarHBondContact CA-O 3.43Å; M78-I131 HydrophobicContact CB-CB 4.1Å; M78-I131 HydrophobicContact CE-CB 4.02Å; M78-I131 HydrophobicContact CE-CD1 3.8Å; M78-I131 HydrophobicContact CE-CG2 3.55Å; M78-I131 HydrophobicContact CG-CB 4.05Å; M78-I131 HydrophobicContact CG-CG2 4.07Å; M78-F133 HydrophobicContact CG-CE2 3.71Å; M78-F133 HydrophobicContact CG-CZ 4.14Å; M78-F133 HydrophobicContact SD-CE2 3.97Å; M78-F133 HydrophobicContact SD-CZ 3.78Å
79M96.1Very high90.4Very high5 Ų543.5 Ų43.53%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-85.8112.1-171.9-68.1-60.6-63.800111.4I55 Y67 I131 F133 L175 L181I55-M79 HydrophobicContact CB-SD 4.07Å; I55-M79 HydrophobicContact CD1-SD 3.85Å; I55-M79 HydrophobicContact CG1-SD 4.41Å; Y67-M79 HydrophobicContact CD2-CG 4.2Å; Y67-M79 HydrophobicContact CD2-SD 3.62Å; Y67-M79 HydrophobicContact CE2-CG 4.23Å; Y67-M79 HydrophobicContact CE2-SD 4.25Å; M79-I131 PolarHBondContact N-O 3.26Å; M79-F133 VanDerWaalsContact O-CD2 3.25Å; M79-F133 WeakPolarHBondContact O-CD2 3.27Å; M79-L175 HydrophobicContact CE-CB 3.99Å; M79-L181 HydrophobicContact CG-CD2 3.88Å
80M92.7Very high89.9Confident6 Ų651 Ų513%0.0324%0.244CC..  trans-101.7151175.5-57.5-173.483.500111.2A54 I55 N56 M78 G82 H89 L92 I93 I98 F133A54-M80 HydrophobicContact CB-CG 4.13Å; A54-M80 HydrophobicContact CB-SD 3.76Å; I55-M80 WeakPolarHBondContact O-CB 3.3Å; I55-M80 PolarHBondContact O-N 3.03Å; N56-M80 HydrophobicContact CB-CB 4.19Å; N56-M80 HydrophobicContact CB-SD 4.45Å; M78-M80 PolarHBondContact O-N 3.07Å; M80-G82 PolarHBondContact O-N 3.21Å; M80-H89 HydrophobicContact CE-CB 4.49Å; M80-L92 HydrophobicContact CE-CB 3.98Å; M80-L92 HydrophobicContact CE-CD1 4.21Å; M80-I93 HydrophobicContact CE-CG1 4.46Å; M80-I98 HydrophobicContact CE-CD1 4.08Å; M80-I98 HydrophobicContact SD-CD1 4.03Å; M80-F133 HydrophobicContact CG-CE2 4.02Å
81E87.9Confident89.4Confident18 Ų1855.3 Ų55.38%0.08426%0.264CS..  trans-81.7114.5173.6172.553.7-111.500110.6K83 W84 H89 P174 S176E81-K83 HydrophobicContact CG-CB 4.17Å; E81-K83 PolarHBondContact O-N 3.14Å; E81-K83 VanDerWaalsContact O-N 3.15Å; E81-K83 VanDerWaalsContact OE1-CB 3.25Å; E81-K83 WeakPolarHBondContact OE1-CB 3.33Å; E81-K83 VanDerWaalsContact OE1-CG 3.32Å; E81-K83 WeakPolarHBondContact OE1-CG 3.43Å; E81-K83 PolarHBondContact OE1-N 3.12Å; E81-W84 HydrophobicContact CB-CD2 3.56Å; E81-W84 VanDerWaalsContact CB-CE2 3.45Å; E81-W84 HydrophobicContact CB-CE3 4.01Å; E81-W84 HydrophobicContact CB-CG 3.83Å; E81-W84 HydrophobicContact CB-CH2 4.27Å; E81-W84 HydrophobicContact CB-CZ2 3.85Å; E81-W84 HydrophobicContact CB-CZ3 4.34Å; E81-W84 HydrophobicContact CG-CD2 4.22Å; E81-W84 HydrophobicContact CG-CG 3.98Å; E81-W84 PolarHBondContact O-N 3.06Å; E81-W84 VanDerWaalsContact O-N 3.1Å; E81-H89 PolarHBondContact O-NE2 3.1Å; E81-P174 VanDerWaalsContact OE2-CB 3.31Å; E81-P174 WeakPolarHBondContact OE2-CB 3.23Å; E81-S176 PolarHBondContact OE2-OG 2.81Å
82G81.6Confident89Confident15 Ų1554.8 Ų54.816%0.15526%0.262CS..THydrogen-bonded Turntrans-60.1-22.5179.200000114.6N56 M80N56-G82 VanDerWaalsContact OD1-CA 3.3Å; N56-G82 WeakPolarHBondContact OD1-CA 3.45Å; M80-G82 PolarHBondContact O-N 3.21Å
83K80.1Confident88.7Confident134 Ų13452.1 Ų52.158%0.58325%0.254SS*.THydrogen-bonded Turntrans-87.7-7.4178.9-62.2174.7-177175.90114E81E81-K83 HydrophobicContact CG-CB 4.17Å; E81-K83 PolarHBondContact O-N 3.14Å; E81-K83 VanDerWaalsContact O-N 3.15Å; E81-K83 VanDerWaalsContact OE1-CB 3.25Å; E81-K83 WeakPolarHBondContact OE1-CB 3.33Å; E81-K83 VanDerWaalsContact OE1-CG 3.32Å; E81-K83 WeakPolarHBondContact OE1-CG 3.43Å; E81-K83 PolarHBondContact OE1-N 3.12Å
84W80Confident88.3Confident45 Ų4555.2 Ų55.217%0.1727%0.268CS..SBendtrans-62.6153174.9-72.8-19.1000111.2E81 I88 H89 L92 F133 P141E81-W84 HydrophobicContact CB-CD2 3.56Å; E81-W84 VanDerWaalsContact CB-CE2 3.45Å; E81-W84 HydrophobicContact CB-CE3 4.01Å; E81-W84 HydrophobicContact CB-CG 3.83Å; E81-W84 HydrophobicContact CB-CH2 4.27Å; E81-W84 HydrophobicContact CB-CZ2 3.85Å; E81-W84 HydrophobicContact CB-CZ3 4.34Å; E81-W84 HydrophobicContact CG-CD2 4.22Å; E81-W84 HydrophobicContact CG-CG 3.98Å; E81-W84 PolarHBondContact O-N 3.06Å; E81-W84 VanDerWaalsContact O-N 3.1Å; W84-I88 HydrophobicContact CB-CB 4.26Å; W84-I88 HydrophobicContact CB-CG2 4.19Å; W84-I88 HydrophobicContact CD2-CG2 4.02Å; W84-I88 HydrophobicContact CE3-CG2 4.06Å; W84-I88 HydrophobicContact CG-CG2 4.14Å; W84-H89 PolarHBondContact O-CE1 2.86Å; W84-L92 HydrophobicContact CE3-CD1 3.55Å; W84-L92 HydrophobicContact CH2-CD1 3.91Å; W84-L92 HydrophobicContact CZ3-CD1 3.15Å; W84-F133 HydrophobicContact CH2-CB 3.67Å; W84-F133 HydrophobicContact CH2-CD1 4.42Å; W84-F133 HydrophobicContact CH2-CD2 4.05Å; W84-F133 AromaticContact CH2-CG 3.8Å; W84-F133 HydrophobicContact CH2-CG 3.8Å; W84-F133 HydrophobicContact CZ2-CB 4.43Å; W84-F133 HydrophobicContact CZ3-CD2 4.27Å; W84-F133 HydrophobicContact CZ3-CG 4.33Å; W84-P141 HydrophobicContact CH2-CB 3.9Å; W84-P141 HydrophobicContact CH2-CG 3.84Å; W84-P141 HydrophobicContact CZ2-CB 4.06Å; W84-P141 HydrophobicContact CZ2-CG 3.61Å
85Q80Confident88Confident135 Ų13551.3 Ų51.363%0.63125%0.248SC*.  trans-63.7145.4173.9-64.2179.5-7.300109.8T87 I88 H89Q85-T87 PolarHBondContact O-N 2.89Å; Q85-T87 VanDerWaalsContact O-N 3.09Å; Q85-I88 HydrophobicContact CB-CD1 4.35Å; Q85-I88 HydrophobicContact CB-CG1 4.39Å; Q85-I88 WeakPolarHBondContact O-CA 3.41Å; Q85-I88 WeakPolarHBondContact O-CB 3.47Å; Q85-I88 PolarHBondContact O-N 2.78Å; Q85-H89 PolarHBondContact O-N 3.03Å
86S83.2Confident87.8Confident89 Ų8949.3 Ų49.362%0.62224%0.239SC*.Hα-helixtrans-57-28.217955.30000113.3H89 R90S86-H89 PolarHBondContact O-N 3.02Å; S86-R90 WeakPolarHBondContact O-CB 3.29Å; S86-R90 PolarHBondContact O-N 2.77Å
87T84.7Confident87.3Confident71 Ų7148.6 Ų48.644%0.43624%0.236SC..Hα-helixtrans-64.9-43.1172.649.10000112.2Q85 R90 Q91Q85-T87 PolarHBondContact O-N 2.89Å; Q85-T87 VanDerWaalsContact O-N 3.09Å; T87-R90 PolarHBondContact O-N 2.81Å; T87-Q91 WeakPolarHBondContact O-CB 3.38Å; T87-Q91 VanDerWaalsContact O-CG 3.27Å; T87-Q91 WeakPolarHBondContact O-CG 3.35Å; T87-Q91 PolarHBondContact O-N 3.31Å
88I84.3Confident87Confident27 Ų2748.8 Ų48.814%0.13824%0.237CC..Hα-helixtrans-65.5-45.3175.2-63.2172.5000109.5W84 Q85 R90 Q91 L92 L140W84-I88 HydrophobicContact CB-CB 4.26Å; W84-I88 HydrophobicContact CB-CG2 4.19Å; W84-I88 HydrophobicContact CD2-CG2 4.02Å; W84-I88 HydrophobicContact CE3-CG2 4.06Å; W84-I88 HydrophobicContact CG-CG2 4.14Å; Q85-I88 HydrophobicContact CB-CD1 4.35Å; Q85-I88 HydrophobicContact CB-CG1 4.39Å; Q85-I88 WeakPolarHBondContact O-CA 3.41Å; Q85-I88 WeakPolarHBondContact O-CB 3.47Å; Q85-I88 PolarHBondContact O-N 2.78Å; I88-R90 VanDerWaalsContact C-N 3.33Å; I88-R90 PolarHBondContact O-N 2.82Å; I88-Q91 PolarHBondContact O-N 2.87Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.25Å; I88-L92 VanDerWaalsContact O-CG 3.29Å; I88-L92 WeakPolarHBondContact O-CG 3.39Å; I88-L92 PolarHBondContact O-N 3.13Å; I88-L140 HydrophobicContact CG2-CD2 4.17Å
89H86.9Confident86.7Confident22 Ų2251.5 Ų51.510%0.10225%0.249CC..Hα-helixtrans-55.9-48.6175.8-65.5140.7000111.5N56 M80 E81 W84 Q85 S86 L92 I93N56-H89 PolarHBondContact OD1-NE2 3.43Å; M80-H89 HydrophobicContact CE-CB 4.49Å; E81-H89 PolarHBondContact O-NE2 3.1Å; W84-H89 PolarHBondContact O-CE1 2.86Å; Q85-H89 PolarHBondContact O-N 3.03Å; S86-H89 PolarHBondContact O-N 3.02Å; H89-L92 PolarHBondContact O-N 3.27Å; H89-I93 WeakPolarHBondContact O-CB 3.38Å; H89-I93 VanDerWaalsContact O-CG1 3.23Å; H89-I93 WeakPolarHBondContact O-CG1 3.2Å; H89-I93 PolarHBondContact O-N 3.2Å
90R86.8Confident86.6Confident156 Ų15651.3 Ų51.359%0.58925%0.247SC*.Hα-helixtrans-60.4-47.2178.2-173.9-179-59.1164.51.8111.9S86 T87 I88 L92 I93 E94S86-R90 WeakPolarHBondContact O-CB 3.29Å; S86-R90 PolarHBondContact O-N 2.77Å; T87-R90 PolarHBondContact O-N 2.81Å; I88-R90 VanDerWaalsContact C-N 3.33Å; I88-R90 PolarHBondContact O-N 2.82Å; R90-L92 VanDerWaalsContact C-N 3.28Å; R90-L92 PolarHBondContact O-N 2.85Å; R90-I93 PolarHBondContact O-N 3.43Å; R90-E94 WeakPolarHBondContact CD-OE1 3.38Å; R90-E94 HydrophobicContact CG-CG 4.4Å; R90-E94 VanDerWaalsContact CG-OE1 3.26Å; R90-E94 WeakPolarHBondContact CG-OE1 3.39Å; R90-E94 WeakPolarHBondContact O-CB 3.41Å; R90-E94 WeakPolarHBondContact O-CG 3.18Å; R90-E94 PolarHBondContact O-N 3.4Å
91Q88.5Confident86.7Confident91 Ų9151.3 Ų51.343%0.42525%0.248SC..Hα-helixtrans-60.7-37.6177.9-75.6174.7-8.100112.3T87 I88 K95 L140T87-Q91 WeakPolarHBondContact O-CB 3.38Å; T87-Q91 VanDerWaalsContact O-CG 3.27Å; T87-Q91 WeakPolarHBondContact O-CG 3.35Å; T87-Q91 PolarHBondContact O-N 3.31Å; I88-Q91 PolarHBondContact O-N 2.87Å; Q91-K95 WeakPolarHBondContact O-CB 3.43Å; Q91-K95 PolarHBondContact O-N 3.5Å; Q91-L140 HydrophobicContact CB-CD1 3.87Å; Q91-L140 HydrophobicContact CB-CD2 3.92Å
92L89Confident87.1Confident0 Ų051 Ų510%025%0.247CC..Hα-helixtrans-73.3-37.5176.5-66.8176.3000112.3M80 W84 I88 H89 R90 Y96 F133 L140 P141M80-L92 HydrophobicContact CE-CB 3.98Å; M80-L92 HydrophobicContact CE-CD1 4.21Å; W84-L92 HydrophobicContact CE3-CD1 3.55Å; W84-L92 HydrophobicContact CH2-CD1 3.91Å; W84-L92 HydrophobicContact CZ3-CD1 3.15Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.25Å; I88-L92 VanDerWaalsContact O-CG 3.29Å; I88-L92 WeakPolarHBondContact O-CG 3.39Å; I88-L92 PolarHBondContact O-N 3.13Å; H89-L92 PolarHBondContact O-N 3.27Å; R90-L92 VanDerWaalsContact C-N 3.28Å; R90-L92 PolarHBondContact O-N 2.85Å; L92-Y96 HydrophobicContact CB-CD2 4.48Å; L92-Y96 HydrophobicContact CD2-CD2 4.1Å; L92-Y96 HydrophobicContact CD2-CE2 3.77Å; L92-Y96 WeakPolarHBondContact O-CB 3.45Å; L92-Y96 WeakPolarHBondContact O-CD2 3.33Å; L92-Y96 PolarHBondContact O-N 3.12Å; L92-F133 HydrophobicContact CB-CE1 4.47Å; L92-F133 HydrophobicContact CD1-CD1 4.32Å; L92-F133 HydrophobicContact CD1-CE1 4.06Å; L92-F133 HydrophobicContact CD1-CZ 4.37Å; L92-F133 HydrophobicContact CD2-CD1 4.27Å; L92-F133 HydrophobicContact CD2-CE1 3.85Å; L92-F133 HydrophobicContact CG-CE1 4.36Å; L92-L140 HydrophobicContact CD2-CB 4.43Å; L92-L140 HydrophobicContact CD2-CD2 4.13Å; L92-L140 HydrophobicContact CG-CD2 4.34Å; L92-P141 HydrophobicContact CD1-CB 4.43Å; L92-P141 HydrophobicContact CD1-CG 4.42Å; L92-P141 HydrophobicContact CD2-CB 4.35Å; L92-P141 WeakPolarHBondContact CD2-O 3.23Å
93I89Confident87.7Confident24 Ų2450.8 Ų50.812%0.12325%0.245CC..Hα-helixtrans-60.5-51.5173.9-72.7164.2000110.2M80 H89 R90 G97 I98 V101 I111 S113M80-I93 HydrophobicContact CE-CG1 4.46Å; H89-I93 WeakPolarHBondContact O-CB 3.38Å; H89-I93 VanDerWaalsContact O-CG1 3.23Å; H89-I93 WeakPolarHBondContact O-CG1 3.2Å; H89-I93 PolarHBondContact O-N 3.2Å; R90-I93 PolarHBondContact O-N 3.43Å; I93-G97 WeakPolarHBondContact O-CA 3.17Å; I93-G97 PolarHBondContact O-N 3.27Å; I93-I98 HydrophobicContact CB-CB 4.33Å; I93-I98 HydrophobicContact CG1-CB 4.09Å; I93-I98 HydrophobicContact CG1-CD1 4.07Å; I93-I98 HydrophobicContact CG2-CB 4.28Å; I93-I98 WeakPolarHBondContact CG2-O 3.34Å; I93-I98 PolarHBondContact O-N 2.98Å; I93-I98 VanDerWaalsContact O-N 3.09Å; I93-V101 HydrophobicContact CD1-CG2 4.15Å; I93-V101 HydrophobicContact CG1-CG2 4.37Å; I93-I111 HydrophobicContact CG2-CB 4.44Å; I93-I111 HydrophobicContact CG2-CD1 4.5Å; I93-I111 HydrophobicContact CG2-CG2 3.8Å; I93-S113 PolarHBondContact O-OG 3.26Å; I93-S113 VanDerWaalsContact O-OG 3.09Å
94E88.1Confident88.1Confident92 Ų9248.2 Ų48.243%0.4324%0.237SC..Hα-helixtrans-63.4-45178.3-72.3171-170.700111.8R90 S113R90-E94 WeakPolarHBondContact CD-OE1 3.38Å; R90-E94 HydrophobicContact CG-CG 4.4Å; R90-E94 VanDerWaalsContact CG-OE1 3.26Å; R90-E94 WeakPolarHBondContact CG-OE1 3.39Å; R90-E94 WeakPolarHBondContact O-CB 3.41Å; R90-E94 WeakPolarHBondContact O-CG 3.18Å; R90-E94 PolarHBondContact O-N 3.4Å; E94-S113 WeakPolarHBondContact CA-OG 3.24Å; E94-S113 PolarHBondContact O-OG 2.81Å; E94-S113 VanDerWaalsContact O-OG 3.06Å
95K87Confident88.5Confident79 Ų7952.8 Ų52.834%0.34327%0.271SS..Hα-helixtrans-63.6-52.1179.8-178176.3-179.9-1730110.3Q91 M115Q91-K95 WeakPolarHBondContact O-CB 3.43Å; Q91-K95 PolarHBondContact O-N 3.5Å; K95-M115 HydrophobicContact CG-CE 4.49Å; K95-M115 VanDerWaalsContact O-CB 3.31Å; K95-M115 WeakPolarHBondContact O-CB 3.34Å; K95-M115 WeakPolarHBondContact O-CE 3.36Å
96Y88.3Confident89Confident8 Ų848 Ų483%0.03126%0.257CS..Hα-helixtrans-96.84.7-170.6-65.8-66.3000114.5L92 I117 F133 K142 A143 V325L92-Y96 HydrophobicContact CB-CD2 4.48Å; L92-Y96 HydrophobicContact CD2-CD2 4.1Å; L92-Y96 HydrophobicContact CD2-CE2 3.77Å; L92-Y96 WeakPolarHBondContact O-CB 3.45Å; L92-Y96 WeakPolarHBondContact O-CD2 3.33Å; L92-Y96 PolarHBondContact O-N 3.12Å; Y96-I117 WeakPolarHBondContact O-CG1 3.38Å; Y96-F133 AromaticContact CD2-CE1 3.7Å; Y96-F133 HydrophobicContact CD2-CE1 3.7Å; Y96-F133 HydrophobicContact CD2-CZ 4.23Å; Y96-F133 HydrophobicContact CE2-CD1 4.43Å; Y96-F133 AromaticContact CE2-CE1 3.67Å; Y96-F133 HydrophobicContact CE2-CE1 3.67Å; Y96-K142 WeakPolarHBondContact OH-CA 3.45Å; Y96-A143 HydrophobicContact CD1-CB 3.88Å; Y96-A143 HydrophobicContact CD2-CB 4.05Å; Y96-A143 HydrophobicContact CE1-CB 3.65Å; Y96-A143 HydrophobicContact CE2-CB 3.82Å; Y96-A143 HydrophobicContact CG-CB 4.06Å; Y96-A143 PolarHBondContact OH-N 2.77Å; Y96-A143 VanDerWaalsContact OH-N 3.11Å; Y96-V325 HydrophobicContact CD1-CB 3.86Å; Y96-V325 HydrophobicContact CD1-CG1 3.6Å; Y96-V325 HydrophobicContact CE1-CB 3.83Å; Y96-V325 HydrophobicContact CE1-CG1 4.04Å
97G86.4Confident89.6Confident3 Ų345.7 Ų45.73%0.03124%0.238CC..THydrogen-bonded Turntrans71.634.9174.200000115.5I93 K99 S113 M115 F116I93-G97 WeakPolarHBondContact O-CA 3.17Å; I93-G97 PolarHBondContact O-N 3.27Å; G97-K99 PolarHBondContact O-N 3.19Å; G97-K99 VanDerWaalsContact O-N 3.13Å; G97-S113 VanDerWaalsContact CA-OG 3.26Å; G97-S113 WeakPolarHBondContact CA-OG 3.34Å; G97-M115 WeakPolarHBondContact CA-O 3.34Å; G97-F116 WeakPolarHBondContact O-CD2 3.32Å
98I89.2Confident89.9Confident5 Ų547.7 Ų47.73%0.02624%0.243CC..  trans-77.3104.9-173.9-52.5175.5000108.7A54 M78 M80 I93 V101A54-I98 HydrophobicContact CB-CD1 4.41Å; A54-I98 HydrophobicContact CB-CG2 3.42Å; A54-I98 VanDerWaalsContact CB-CG2 3.42Å; M78-I98 HydrophobicContact CE-CG1 4.41Å; M78-I98 HydrophobicContact SD-CD1 3.33Å; M78-I98 WeakPolarHBondContact SD-CD1 3.33Å; M78-I98 HydrophobicContact SD-CG1 3.64Å; M80-I98 HydrophobicContact CE-CD1 4.08Å; M80-I98 HydrophobicContact SD-CD1 4.03Å; I93-I98 HydrophobicContact CB-CB 4.33Å; I93-I98 HydrophobicContact CG1-CB 4.09Å; I93-I98 HydrophobicContact CG1-CD1 4.07Å; I93-I98 HydrophobicContact CG2-CB 4.28Å; I93-I98 WeakPolarHBondContact CG2-O 3.34Å; I93-I98 PolarHBondContact O-N 2.98Å; I93-I98 VanDerWaalsContact O-N 3.09Å; I98-V101 HydrophobicContact CG2-CG2 3.64Å
99K90.5Very high90.3Very high57 Ų5749.4 Ų49.425%0.24825%0.251CS..  trans-86.5-33.8-178.5-69.1-172.5-179.91650113.6G97 Q109 N110 I111 F116G97-K99 PolarHBondContact O-N 3.19Å; G97-K99 VanDerWaalsContact O-N 3.13Å; K99-Q109 CarbonylContact O-C 3.54Å; K99-Q109 VanDerWaalsContact O-C 3.28Å; K99-Q109 WeakPolarHBondContact O-CA 3.42Å; K99-N110 PolarHBondContact O-N 3.49Å; K99-I111 PolarHBondContact O-N 3.05Å; K99-I111 VanDerWaalsContact O-N 3.07Å; K99-F116 HydrophobicContact CB-CE2 4.49Å; K99-F116 HydrophobicContact CD-CD2 3.66Å; K99-F116 HydrophobicContact CD-CE2 3.43Å; K99-F116 VanDerWaalsContact CD-CE2 3.43Å; K99-F116 HydrophobicContact CD-CZ 4.13Å; K99-F116 HydrophobicContact CG-CD2 3.9Å; K99-F116 HydrophobicContact CG-CE2 3.85Å
100D94.4Very high89.9Confident0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans-118.7124.1-178.5-64-29.7000110.3L49 N50 V53 A54 L107 M108 Q109 N110L49-D100 WeakPolarHBondContact CA-OD2 3.39Å; N50-D100 VanDerWaalsContact CB-OD2 3.31Å; N50-D100 WeakPolarHBondContact CB-OD2 3.33Å; N50-D100 PolarHBondContact N-OD2 3.14Å; N50-D100 VanDerWaalsContact ND2-CG 3.33Å; N50-D100 PolarHBondContact ND2-OD1 3.24Å; N50-D100 PolarHBondContact ND2-OD2 2.98Å; V53-D100 HydrophobicContact CB-CB 4.49Å; V53-D100 HydrophobicContact CG1-CB 4.09Å; V53-D100 HydrophobicContact CG2-CB 4.18Å; A54-D100 PolarHBondContact N-O 2.82Å; D100-L107 HydrophobicContact CB-CD1 4.3Å; D100-M108 CarbonylContact C-O 3.49Å; D100-M108 WeakPolarHBondContact CA-O 3.29Å; D100-Q109 VanDerWaalsContact OD1-CA 3.25Å; D100-Q109 WeakPolarHBondContact OD1-CA 3.34Å; D100-Q109 VanDerWaalsContact OD1-CB 3.31Å; D100-Q109 WeakPolarHBondContact OD1-CB 3.45Å; D100-Q109 WeakPolarHBondContact OD1-CG 3.35Å; D100-Q109 PolarHBondContact OD1-NE2 3.45Å; D100-N110 PolarHBondContact OD1-N 2.98Å
101V95.1Very high89.6Confident7 Ų748.1 Ų48.14%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-128121.3178.8-1770000108.7A54 N56 I93 I98 M108 I111A54-V101 HydrophobicContact CB-CG1 4.45Å; A54-V101 HydrophobicContact CB-CG2 4.14Å; A54-V101 CarbonylContact O-C 3.52Å; A54-V101 WeakPolarHBondContact O-CA 3.45Å; N56-V101 HydrophobicContact CB-CG1 3.92Å; I93-V101 HydrophobicContact CD1-CG2 4.15Å; I93-V101 HydrophobicContact CG1-CG2 4.37Å; I98-V101 HydrophobicContact CG2-CG2 3.64Å; V101-M108 PolarHBondContact N-O 3.3Å; V101-M108 PolarHBondContact O-N 3.5Å; V101-I111 HydrophobicContact CB-CD1 4.22Å; V101-I111 HydrophobicContact CG2-CD1 3.56Å
102I96.2Very high89.1Confident10 Ų1051.4 Ų51.45%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-93.7111169.7-59171.4000107.6L44 V53 A54 N56 M57 L70 L107L44-I102 HydrophobicContact CD1-CD1 4.12Å; L44-I102 HydrophobicContact CD2-CD1 3.81Å; V53-I102 HydrophobicContact CG1-CD1 3.74Å; V53-I102 HydrophobicContact CG1-CG1 3.84Å; A54-I102 PolarHBondContact O-N 3.4Å; N56-I102 PolarHBondContact N-O 3.29Å; M57-I102 HydrophobicContact SD-CG2 4.08Å; L70-I102 HydrophobicContact CD1-CD1 4.35Å; L70-I102 HydrophobicContact CD2-CD1 4.35Å; I102-L107 HydrophobicContact CG1-CD1 3.64Å
103G93.5Very high88.3Confident11 Ų1152.4 Ų52.411%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-112.3-178.317600000113.4N56 T105 G106N56-G103 VanDerWaalsContact O-CA 3.3Å; N56-G103 WeakPolarHBondContact O-CA 3.29Å; G103-T105 PolarHBondContact O-N 2.65Å; G103-T105 VanDerWaalsContact O-N 3.15Å; G103-G106 PolarHBondContact N-O 2.82Å; G103-G106 PolarHBondContact O-N 3.43Å
104D89.4Confident87.3Confident81 Ų8157.2 Ų57.243%0.43332%0.316SS..THydrogen-bonded Turntrans-57.4-28.4177.2-63.1-47.4000112.9M57 K58M57-D104 WeakPolarHBondContact CA-OD1 3.33Å; K58-D104 VanDerWaalsContact CD-OD2 3.31Å; K58-D104 WeakPolarHBondContact CD-OD2 3.32Å; K58-D104 VanDerWaalsContact CG-OD2 3.24Å; K58-D104 WeakPolarHBondContact CG-OD2 3.38Å; K58-D104 PolarHBondContact N-OD1 2.89Å; K58-D104 PolarHBondContact N-OD2 3.25Å
105T88.4Confident86.1Confident141 Ų14156.5 Ų56.587%0.86531%0.314SS*.THydrogen-bonded Turntrans-93.14.5179.957.20000113.8G103G103-T105 PolarHBondContact O-N 2.65Å; G103-T105 VanDerWaalsContact O-N 3.15Å
106G91Very high85Confident34 Ų3455.7 Ų55.735%0.35131%0.31SS..EExtended strand (participates in β ladder)trans111.2-167.2-17900000114.2G103G103-G106 PolarHBondContact N-O 2.82Å; G103-G106 PolarHBondContact O-N 3.43Å
107L94.5Very high84.2Confident41 Ų4155.6 Ų55.622%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-83.1126.9-17717768.8000111.2Y47 L49 D100 I102 Q109Y47-L107 HydrophobicContact CD1-CD2 3.72Å; Y47-L107 HydrophobicContact CD2-CD2 3.65Å; Y47-L107 HydrophobicContact CE1-CD2 4.15Å; Y47-L107 HydrophobicContact CE2-CD2 4.09Å; Y47-L107 HydrophobicContact CG-CD2 3.43Å; Y47-L107 VanDerWaalsContact CG-CD2 3.43Å; L49-L107 HydrophobicContact CD2-CD1 4Å; L49-L107 HydrophobicContact CD2-CD2 3.73Å; D100-L107 HydrophobicContact CB-CD1 4.3Å; I102-L107 HydrophobicContact CG1-CD1 3.64Å; L107-Q109 HydrophobicContact CD1-CG 4.06Å; L107-Q109 HydrophobicContact CD2-CG 3.53Å; L107-Q109 HydrophobicContact CG-CG 3.55Å
108M92.3Very high83.4Confident112 Ų11257.9 Ų57.955%0.55232%0.322SS*.EExtended strand (participates in β ladder)trans-105.3128.4165.2-63.2178.464.200108.3D100 V101 I111D100-M108 CarbonylContact C-O 3.49Å; D100-M108 WeakPolarHBondContact CA-O 3.29Å; V101-M108 PolarHBondContact N-O 3.3Å; V101-M108 PolarHBondContact O-N 3.5Å; M108-I111 HydrophobicContact CB-CD1 4.26Å
109Q91Very high82.4Confident63 Ų6360.9 Ų60.929%0.29434%0.343SS..  trans-122.1159.1-175.8-61.3-159.8-93.800113Y47 S48 K99 D100 L107 I111Y47-Q109 VanDerWaalsContact CD1-OE1 3.3Å; S48-Q109 PolarHBondContact O-NE2 2.83Å; K99-Q109 CarbonylContact O-C 3.54Å; K99-Q109 VanDerWaalsContact O-C 3.28Å; K99-Q109 WeakPolarHBondContact O-CA 3.42Å; D100-Q109 VanDerWaalsContact OD1-CA 3.25Å; D100-Q109 WeakPolarHBondContact OD1-CA 3.34Å; D100-Q109 VanDerWaalsContact OD1-CB 3.31Å; D100-Q109 WeakPolarHBondContact OD1-CB 3.45Å; D100-Q109 WeakPolarHBondContact OD1-CG 3.35Å; D100-Q109 PolarHBondContact OD1-NE2 3.45Å; L107-Q109 HydrophobicContact CD1-CG 4.06Å; L107-Q109 HydrophobicContact CD2-CG 3.53Å; L107-Q109 HydrophobicContact CG-CG 3.55Å; Q109-I111 PolarHBondContact O-N 2.66Å
110N78.3Confident81.6Confident110 Ų11061.5 Ų61.559%0.58835%0.352SS*.  trans49.442.3176-59-48.4000112.5K99 D100 D112K99-N110 PolarHBondContact O-N 3.49Å; D100-N110 PolarHBondContact OD1-N 2.98Å; N110-D112 PolarHBondContact O-N 2.8Å
111I82.1Confident80.8Confident41 Ų4164.6 Ų64.621%0.2137%0.367CS..  trans-61.8123.6174.3-56.1170.4000107.8I93 K99 V101 M108 Q109 S113I93-I111 HydrophobicContact CG2-CB 4.44Å; I93-I111 HydrophobicContact CG2-CD1 4.5Å; I93-I111 HydrophobicContact CG2-CG2 3.8Å; K99-I111 PolarHBondContact O-N 3.05Å; K99-I111 VanDerWaalsContact O-N 3.07Å; V101-I111 HydrophobicContact CB-CD1 4.22Å; V101-I111 HydrophobicContact CG2-CD1 3.56Å; M108-I111 HydrophobicContact CB-CD1 4.26Å; Q109-I111 PolarHBondContact O-N 2.66Å; I111-S113 PolarHBondContact O-N 3.19Å
112D78.3Confident80.3Confident160 Ų16065.4 Ų65.486%0.85637%0.37SS*.  trans-59.8112.6177.5-76.3-32.9000109.6N110N110-D112 PolarHBondContact O-N 2.8Å
113S71.4Confident79.6Confident22 Ų2271.9 Ų71.915%0.15440%0.401CS..  trans-140.5134.5178.3179.50000110.3I93 E94 G97 I111 M115I93-S113 PolarHBondContact O-OG 3.26Å; I93-S113 VanDerWaalsContact O-OG 3.09Å; E94-S113 WeakPolarHBondContact CA-OG 3.24Å; E94-S113 PolarHBondContact O-OG 2.81Å; E94-S113 VanDerWaalsContact O-OG 3.06Å; G97-S113 VanDerWaalsContact CA-OG 3.26Å; G97-S113 WeakPolarHBondContact CA-OG 3.34Å; I111-S113 PolarHBondContact O-N 3.19Å; S113-M115 PolarHBondContact OG-O 3.46Å
114P67.4Low79.1Confident125 Ų12577.7 Ų77.781%0.81242%0.424SS*.SBendtrans-73.4-30-17328.6-35.2000113.5
115M64Low78.9Confident76 Ų7674.6 Ų74.637%0.37441%0.407SS..SBendtrans-96.3155.8174.2-156.8147.49300109.4K95 G97 S113 S326K95-M115 HydrophobicContact CG-CE 4.49Å; K95-M115 VanDerWaalsContact O-CB 3.31Å; K95-M115 WeakPolarHBondContact O-CB 3.34Å; K95-M115 WeakPolarHBondContact O-CE 3.36Å; G97-M115 WeakPolarHBondContact CA-O 3.34Å; S113-M115 PolarHBondContact OG-O 3.46Å; M115-S326 WeakPolarHBondContact CE-OG 3.41Å
116F63.6Low78.7Confident62 Ų6273.1 Ų73.127%0.27240%0.4SS..  trans-147.3125.9175.3-176.6-126.3000110.5G97 K99 D118G97-F116 WeakPolarHBondContact O-CD2 3.32Å; K99-F116 HydrophobicContact CB-CE2 4.49Å; K99-F116 HydrophobicContact CD-CD2 3.66Å; K99-F116 HydrophobicContact CD-CE2 3.43Å; K99-F116 VanDerWaalsContact CD-CE2 3.43Å; K99-F116 HydrophobicContact CD-CZ 4.13Å; K99-F116 HydrophobicContact CG-CD2 3.9Å; K99-F116 HydrophobicContact CG-CE2 3.85Å; F116-D118 HydrophobicContact CD1-CB 3.41Å; F116-D118 VanDerWaalsContact CD1-CB 3.41Å; F116-D118 VanDerWaalsContact CE1-CA 3.48Å; F116-D118 HydrophobicContact CE1-CB 3.55Å; F116-D118 HydrophobicContact CG-CB 4.45Å; F116-D118 PolarHBondContact O-N 2.88Å; F116-D118 VanDerWaalsContact O-N 3.11Å
117I71.4Confident78.7Confident7 Ų774.6 Ų74.64%0.03640%0.399CS..  trans-73.597.5162.5-57.1168.8000106V52 M78 Y96 L122 I131 V325V52-I117 HydrophobicContact CG2-CB 4.3Å; V52-I117 HydrophobicContact CG2-CG2 3.91Å; M78-I117 HydrophobicContact CE-CD1 3.6Å; Y96-I117 WeakPolarHBondContact O-CG1 3.38Å; I117-L122 HydrophobicContact CG2-CD2 3.93Å; I117-L122 HydrophobicContact CG2-CG 4.19Å; I117-I131 HydrophobicContact CD1-CD1 3.95Å; I117-V325 HydrophobicContact CD1-CG1 3.57Å; I117-V325 HydrophobicContact CD1-CG2 4.2Å; I117-V325 HydrophobicContact CG1-CG1 3.67Å
118D68.5Low78.7Confident50 Ų5073.1 Ų73.127%0.26739%0.392SS..  trans-87.5172.4-179.279.89.4000112.6F116 T120 Q121 L122F116-D118 HydrophobicContact CD1-CB 3.41Å; F116-D118 VanDerWaalsContact CD1-CB 3.41Å; F116-D118 VanDerWaalsContact CE1-CA 3.48Å; F116-D118 HydrophobicContact CE1-CB 3.55Å; F116-D118 HydrophobicContact CG-CB 4.45Å; F116-D118 PolarHBondContact O-N 2.88Å; F116-D118 VanDerWaalsContact O-N 3.11Å; D118-T120 VanDerWaalsContact CG-OG1 3.27Å; D118-T120 PolarHBondContact O-N 2.88Å; D118-T120 WeakPolarHBondContact OD1-CA 3.31Å; D118-T120 VanDerWaalsContact OD1-CB 3.32Å; D118-T120 WeakPolarHBondContact OD1-CB 3.17Å; D118-T120 PolarHBondContact OD1-N 2.95Å; D118-T120 PolarHBondContact OD1-OG1 2.82Å; D118-T120 PolarHBondContact OD2-OG1 2.98Å; D118-Q121 PolarHBondContact O-N 2.98Å; D118-Q121 PolarHBondContact OD1-N 2.85Å; D118-L122 PolarHBondContact O-N 2.94Å
119S69.6Low78.9Confident68 Ų6867.8 Ų67.848%0.47637%0.366SS..Hα-helixtrans-62.2-24.2177.747.30000113.4Q123S119-Q123 WeakPolarHBondContact O-CG 3.5Å; S119-Q123 PolarHBondContact O-N 3.11Å
120T74.2Confident79.1Confident71 Ų7164.9 Ų64.944%0.43635%0.352SS..Hα-helixtrans-73.8-36.9179.676.10000111.4D118 L122 Q123 H124D118-T120 VanDerWaalsContact CG-OG1 3.27Å; D118-T120 PolarHBondContact O-N 2.88Å; D118-T120 WeakPolarHBondContact OD1-CA 3.31Å; D118-T120 VanDerWaalsContact OD1-CB 3.32Å; D118-T120 WeakPolarHBondContact OD1-CB 3.17Å; D118-T120 PolarHBondContact OD1-N 2.95Å; D118-T120 PolarHBondContact OD1-OG1 2.82Å; D118-T120 PolarHBondContact OD2-OG1 2.98Å; T120-L122 VanDerWaalsContact C-N 3.34Å; T120-Q123 WeakPolarHBondContact O-CB 3.02Å; T120-Q123 PolarHBondContact O-N 3.05Å; T120-H124 PolarHBondContact O-ND1 2.81Å
121Q77Confident80Confident65 Ų6559.6 Ų59.630%0.30432%0.324SS..Hα-helixtrans-64.7-42173.3-67-172.311.700111.1D118 Q123 H124 Y125D118-Q121 PolarHBondContact O-N 2.98Å; D118-Q121 PolarHBondContact OD1-N 2.85Å; Q121-Q123 PolarHBondContact O-N 3Å; Q121-H124 PolarHBondContact O-N 3.28Å; Q121-H124 PolarHBondContact O-ND1 3.44Å; Q121-Y125 WeakPolarHBondContact O-CD2 3.49Å; Q121-Y125 WeakPolarHBondContact O-CE2 3.27Å
122L83.8Confident80.6Confident23 Ų2357.7 Ų57.712%0.1231%0.314CS..Hα-helixtrans-67-20180-63.5-178.3000114.1P51 V52 V76 I117 D118 T120 H124 Y125 L128 Y145P51-L122 HydrophobicContact CB-CD1 3.44Å; P51-L122 VanDerWaalsContact CB-CD1 3.44Å; V52-L122 HydrophobicContact CG2-CD1 3.9Å; V52-L122 HydrophobicContact CG2-CD2 4.25Å; V76-L122 HydrophobicContact CG2-CD1 4.37Å; I117-L122 HydrophobicContact CG2-CD2 3.93Å; I117-L122 HydrophobicContact CG2-CG 4.19Å; D118-L122 PolarHBondContact O-N 2.94Å; T120-L122 VanDerWaalsContact C-N 3.34Å; L122-H124 PolarHBondContact O-N 3.33Å; L122-Y125 CarbonylContact O-C 3.42Å; L122-Y125 PolarHBondContact O-N 2.79Å; L122-L128 HydrophobicContact CD2-CD2 3.73Å; L122-Y145 HydrophobicContact CD2-CE1 4.22Å
123Q82.5Confident81.3Confident147 Ų14750.8 Ų50.869%0.68728%0.277SS*.THydrogen-bonded Turntrans-61.2-23.3174.8-74.9170.21.800113S119 T120 Q121 Y125S119-Q123 WeakPolarHBondContact O-CG 3.5Å; S119-Q123 PolarHBondContact O-N 3.11Å; T120-Q123 WeakPolarHBondContact O-CB 3.02Å; T120-Q123 PolarHBondContact O-N 3.05Å; Q121-Q123 PolarHBondContact O-N 3Å; Q123-Y125 PolarHBondContact O-N 3.1Å
124H82.2Confident82.1Confident132 Ų13250.5 Ų50.561%0.61127%0.274SS*.THydrogen-bonded Turntrans-77.9-7.7175.4-57.988000113.1T120 Q121 L122T120-H124 PolarHBondContact O-ND1 2.81Å; Q121-H124 PolarHBondContact O-N 3.28Å; Q121-H124 PolarHBondContact O-ND1 3.44Å; L122-H124 PolarHBondContact O-N 3.33Å
125Y85.8Confident82.3Confident16 Ų1646.9 Ų46.96%0.06325%0.252CS..  trans-130.465.3-175-49.7-80.6000110.8Q121 L122 Q123 N127 L128 Y145 S322 C329Q121-Y125 WeakPolarHBondContact O-CD2 3.49Å; Q121-Y125 WeakPolarHBondContact O-CE2 3.27Å; L122-Y125 CarbonylContact O-C 3.42Å; L122-Y125 PolarHBondContact O-N 2.79Å; Q123-Y125 PolarHBondContact O-N 3.1Å; Y125-N127 PolarHBondContact O-N 3.08Å; Y125-L128 WeakPolarHBondContact O-CB 3.28Å; Y125-L128 PolarHBondContact O-N 3.38Å; Y125-Y145 HydrophobicContact CD1-CD2 4.39Å; Y125-Y145 HydrophobicContact CD1-CG 4.27Å; Y125-Y145 HydrophobicContact CD2-CD1 4.48Å; Y125-Y145 HydrophobicContact CD2-CD2 4.35Å; Y125-Y145 HydrophobicContact CD2-CE2 4.35Å; Y125-Y145 HydrophobicContact CD2-CG 4.41Å; Y125-Y145 AromaticContact CE1-CD2 3.74Å; Y125-Y145 HydrophobicContact CE1-CD2 3.74Å; Y125-Y145 HydrophobicContact CE1-CE2 4.4Å; Y125-Y145 HydrophobicContact CE1-CG 4.05Å; Y125-Y145 AromaticContact CE2-CD2 3.7Å; Y125-Y145 HydrophobicContact CE2-CD2 3.7Å; Y125-Y145 HydrophobicContact CE2-CE1 4.43Å; Y125-Y145 AromaticContact CE2-CE2 3.54Å; Y125-Y145 HydrophobicContact CE2-CE2 3.54Å; Y125-Y145 HydrophobicContact CE2-CG 4.2Å; Y125-Y145 AromaticContact CE2-CZ 3.94Å; Y125-Y145 HydrophobicContact CG-CG 4.44Å; Y125-Y145 AromaticContact CZ-CD2 3.34Å; Y125-Y145 AromaticContact CZ-CE2 3.57Å; Y125-Y145 WeakPolarHBondContact OH-CD2 3.15Å; Y125-S322 WeakPolarHBondContact CE1-O 3.47Å; Y125-C329 HydrophobicContact CE1-CB 4.07Å; Y125-C329 WeakPolarHBondContact CE1-SG 2.74Å; Y125-C329 WeakPolarHBondContact OH-CB 3.2Å
126P83.5Confident82.3Confident110 Ų11043.6 Ų43.671%0.71424%0.237SC*.THydrogen-bonded Turntrans-63.3-26.2-173.326-35.2000113.7
127N90.7Very high81.9Confident65 Ų6543.7 Ų43.735%0.34824%0.243SC..THydrogen-bonded Turntrans-106.825-179.1-62.9-18.6000112.1Y125 L129 D147 E148 D149Y125-N127 PolarHBondContact O-N 3.08Å; N127-L129 PolarHBondContact O-N 3.19Å; N127-D147 WeakPolarHBondContact O-CA 3.37Å; N127-E148 PolarHBondContact O-N 2.79Å; N127-D149 PolarHBondContact ND2-OD2 3.1Å
128L94.2Very high81.2Confident11 Ų1147.2 Ų47.26%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-62.2119.6-177.2-171.859.9000111.6V76 L122 Y125 I131 Y145 R146 D147V76-L128 HydrophobicContact CB-CD2 4.39Å; V76-L128 HydrophobicContact CG1-CD2 3.58Å; V76-L128 HydrophobicContact CG1-CG 3.89Å; V76-L128 HydrophobicContact CG2-CD2 3.97Å; V76-L128 HydrophobicContact CG2-CG 4.37Å; L122-L128 HydrophobicContact CD2-CD2 3.73Å; Y125-L128 WeakPolarHBondContact O-CB 3.28Å; Y125-L128 PolarHBondContact O-N 3.38Å; L128-I131 HydrophobicContact CD2-CG1 4.29Å; L128-Y145 HydrophobicContact CD1-CD1 3.88Å; L128-Y145 HydrophobicContact CD1-CG 4.26Å; L128-Y145 HydrophobicContact CD2-CD1 3.64Å; L128-Y145 HydrophobicContact CD2-CE1 4.1Å; L128-Y145 HydrophobicContact CG-CD1 4.46Å; L128-R146 WeakPolarHBondContact CD1-O 3.46Å; L128-D147 WeakPolarHBondContact CA-OD1 3.26Å; L128-D147 WeakPolarHBondContact CD1-OD1 3.32Å
129L96.4Very high81.3Confident0 Ų047.2 Ų47.20%028%0.276CS..EExtended strand (participates in β ladder)trans-87.6-44.8-179.2-17764.6000111.4I4 Y67 H71 N127 R146 E148 W151 L185I4-L129 HydrophobicContact CD1-CD1 4.15Å; I4-L129 HydrophobicContact CD1-CD2 3.81Å; Y67-L129 WeakPolarHBondContact OH-CG 3.49Å; Y67-L129 PolarHBondContact OH-O 3.12Å; H71-L129 PolarHBondContact CE1-O 2.94Å; H71-L129 PolarHBondContact NE2-O 3.08Å; N127-L129 PolarHBondContact O-N 3.19Å; L129-R146 WeakPolarHBondContact CA-O 3.4Å; L129-R146 VanDerWaalsContact CB-O 3.24Å; L129-R146 WeakPolarHBondContact CB-O 3.12Å; L129-R146 PolarHBondContact N-O 3.31Å; L129-E148 HydrophobicContact CB-CB 4.18Å; L129-E148 HydrophobicContact CD1-CB 4.46Å; L129-W151 HydrophobicContact CD2-CB 4.1Å; L129-W151 HydrophobicContact CD2-CD2 3.8Å; L129-W151 HydrophobicContact CD2-CE3 3.46Å; L129-W151 VanDerWaalsContact CD2-CE3 3.46Å; L129-W151 HydrophobicContact CD2-CG 4.1Å; L129-W151 HydrophobicContact CD2-CZ3 4.18Å; L129-L185 HydrophobicContact CD1-CD1 4.33Å; L129-L185 HydrophobicContact CD2-CD1 3.92Å; L129-L185 HydrophobicContact CG-CD1 4.37Å
130H97.2Very high81.8Confident1 Ų146.7 Ų46.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-164.3170.7172.859.2-85.7000111.3Y67 P77 R146 W151Y67-H130 HydrophobicContact CE2-CB 3.81Å; Y67-H130 PolarHBondContact OH-ND1 2.88Å; P77-H130 CarbonylContact O-C 3.28Å; P77-H130 VanDerWaalsContact O-CA 3.31Å; P77-H130 WeakPolarHBondContact O-CA 3.32Å; P77-H130 VanDerWaalsContact O-CB 3.28Å; P77-H130 WeakPolarHBondContact O-CB 3.5Å; H130-R146 PolarHBondContact N-O 2.86Å; H130-R146 VanDerWaalsContact N-O 3.14Å; H130-R146 PolarHBondContact O-N 2.96Å; H130-W151 AromaticContact CE1-CE2 3.75Å; H130-W151 AromaticContact CE1-CH2 3.34Å; H130-W151 WeakPolarHBondContact CE1-CH2 3.4Å; H130-W151 AromaticContact CE1-CZ2 3.29Å; H130-W151 WeakPolarHBondContact CE1-CZ2 3.41Å; H130-W151 AromaticContact CE1-CZ3 3.86Å; H130-W151 AromaticContact NE2-CH2 4Å; H130-W151 AromaticContact NE2-CZ2 3.77Å
131I96.3Very high82.4Confident0 Ų043.5 Ų43.50%025%0.248CC..EExtended strand (participates in β ladder)trans-105.7120.1164.5-59.8166.9000108.3V52 V76 P77 M78 M79 I117 L128 A143 Y144 Y145 V325V52-I131 HydrophobicContact CG1-CD1 3.85Å; V52-I131 HydrophobicContact CG2-CD1 3.96Å; V76-I131 HydrophobicContact CG1-CD1 4.18Å; V76-I131 HydrophobicContact CG1-CG1 4.03Å; P77-I131 PolarHBondContact O-N 2.77Å; M78-I131 CarbonylContact C-O 3.42Å; M78-I131 WeakPolarHBondContact CA-O 3.43Å; M78-I131 HydrophobicContact CB-CB 4.1Å; M78-I131 HydrophobicContact CE-CB 4.02Å; M78-I131 HydrophobicContact CE-CD1 3.8Å; M78-I131 HydrophobicContact CE-CG2 3.55Å; M78-I131 HydrophobicContact CG-CB 4.05Å; M78-I131 HydrophobicContact CG-CG2 4.07Å; M79-I131 PolarHBondContact N-O 3.26Å; I117-I131 HydrophobicContact CD1-CD1 3.95Å; L128-I131 HydrophobicContact CD2-CG1 4.29Å; I131-A143 HydrophobicContact CG2-CB 3.89Å; I131-Y144 VanDerWaalsContact CA-O 3.3Å; I131-Y144 WeakPolarHBondContact CA-O 3.19Å; I131-Y144 WeakPolarHBondContact CG2-O 3.42Å; I131-Y145 HydrophobicContact CD1-CD1 4.07Å; I131-Y145 HydrophobicContact CD1-CE1 3.7Å; I131-Y145 HydrophobicContact CG1-CD1 3.73Å; I131-Y145 HydrophobicContact CG1-CE1 3.9Å; I131-V325 HydrophobicContact CG2-CG2 3.99Å
132G95.4Very high83Confident1 Ų144.2 Ų44.21%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-105.6174.9175.300000111.2A143 Y144G132-A143 CarbonylContact O-C 3.58Å; G132-A143 VanDerWaalsContact O-CA 3.26Å; G132-A143 WeakPolarHBondContact O-CA 3.39Å; G132-Y144 VanDerWaalsContact C-CE1 3.42Å; G132-Y144 PolarHBondContact N-O 3.32Å; G132-Y144 WeakPolarHBondContact O-CD1 3.47Å; G132-Y144 PolarHBondContact O-N 3.18Å
133F92.5Very high83.4Confident14 Ų1443.1 Ų43.16%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-121.9139.3173.5-72.6-87.2000111.3M78 M79 M80 W84 L92 Y96 P141 K142 A143 Y144M78-F133 HydrophobicContact CG-CE2 3.71Å; M78-F133 HydrophobicContact CG-CZ 4.14Å; M78-F133 HydrophobicContact SD-CE2 3.97Å; M78-F133 HydrophobicContact SD-CZ 3.78Å; M79-F133 VanDerWaalsContact O-CD2 3.25Å; M79-F133 WeakPolarHBondContact O-CD2 3.27Å; M80-F133 HydrophobicContact CG-CE2 4.02Å; W84-F133 HydrophobicContact CH2-CB 3.67Å; W84-F133 HydrophobicContact CH2-CD1 4.42Å; W84-F133 HydrophobicContact CH2-CD2 4.05Å; W84-F133 AromaticContact CH2-CG 3.8Å; W84-F133 HydrophobicContact CH2-CG 3.8Å; W84-F133 HydrophobicContact CZ2-CB 4.43Å; W84-F133 HydrophobicContact CZ3-CD2 4.27Å; W84-F133 HydrophobicContact CZ3-CG 4.33Å; L92-F133 HydrophobicContact CB-CE1 4.47Å; L92-F133 HydrophobicContact CD1-CD1 4.32Å; L92-F133 HydrophobicContact CD1-CE1 4.06Å; L92-F133 HydrophobicContact CD1-CZ 4.37Å; L92-F133 HydrophobicContact CD2-CD1 4.27Å; L92-F133 HydrophobicContact CD2-CE1 3.85Å; L92-F133 HydrophobicContact CG-CE1 4.36Å; Y96-F133 AromaticContact CD2-CE1 3.7Å; Y96-F133 HydrophobicContact CD2-CE1 3.7Å; Y96-F133 HydrophobicContact CD2-CZ 4.23Å; Y96-F133 HydrophobicContact CE2-CD1 4.43Å; Y96-F133 AromaticContact CE2-CE1 3.67Å; Y96-F133 HydrophobicContact CE2-CE1 3.67Å; F133-P141 HydrophobicContact CB-CB 3.93Å; F133-P141 HydrophobicContact CD1-CB 3.87Å; F133-P141 HydrophobicContact CG-CB 4.25Å; F133-K142 CarbonylContact C-O 3.53Å; F133-K142 WeakPolarHBondContact CA-O 3.47Å; F133-A143 HydrophobicContact CD1-CB 3.96Å; F133-A143 HydrophobicContact CE1-CB 3.62Å; F133-A143 HydrophobicContact CZ-CB 4.16Å; F133-Y144 VanDerWaalsContact C-CE1 3.47Å
134T87.8Confident84Confident16 Ų1636.2 Ų36.210%0.09821%0.213CC..  trans-70160.9169.269.40000110.4G136 P141 K142 Y144 E274 Y324T134-G136 PolarHBondContact O-N 2.87Å; T134-P141 VanDerWaalsContact O-CB 3.28Å; T134-P141 WeakPolarHBondContact O-CB 3.13Å; T134-K142 HydrophobicContact CG2-CB 4.25Å; T134-K142 PolarHBondContact N-O 3.29Å; T134-K142 PolarHBondContact OG1-N 3.12Å; T134-K142 VanDerWaalsContact OG1-N 3.1Å; T134-Y144 HydrophobicContact CG2-CD1 3.89Å; T134-Y144 HydrophobicContact CG2-CE1 4.36Å; T134-E274 WeakPolarHBondContact CG2-OE1 3.26Å; T134-Y324 HydrophobicContact CG2-CE1 3.87Å
135S72Confident84.6Confident49 Ų4930 Ų3034%0.34318%0.184SC..  trans-67.7-7.9-175.677.40000115.2S441S135-S441 VanDerWaalsContact CB-CB 3.48Å; S135-S441 VanDerWaalsContact O-CB 3.26Å; S135-S441 WeakPolarHBondContact O-CB 3.34Å; S135-S441 PolarHBondContact O-OG 3.42Å
136G63.1Low85Confident7 Ų729.5 Ų29.57%0.07218%0.182CC..  trans68.355.3173.700000114.7T134 T138T134-G136 PolarHBondContact O-N 2.87Å; G136-T138 VanDerWaalsContact C-N 3.3Å; G136-T138 PolarHBondContact O-N 3.38Å
137T55.4Low85.6Confident65 Ų6525.6 Ų25.640%0.39916%0.155SC..THydrogen-bonded Turntrans-69.7-24.6180510000114K443T137-K443 HydrophobicContact CG2-CD 4.28Å
138T58Low85.8Confident81 Ų8122.8 Ų22.850%0.49714%0.14SC..THydrogen-bonded Turntrans-118.918.7-173.559.70000113G136G136-T138 VanDerWaalsContact C-N 3.3Å; G136-T138 PolarHBondContact O-N 3.38Å
139G69.6Low85.9Confident49 Ų4925.9 Ų25.951%0.50516%0.156SC..SBendtrans141.2-144-17700000112.8
140L80.3Confident85.9Confident58 Ų5826 Ų2630%0.30416%0.157SC..SBendtrans-60.2135.4177.7-81.7170.6000111.4I88 Q91 L92 K142I88-L140 HydrophobicContact CG2-CD2 4.17Å; Q91-L140 HydrophobicContact CB-CD1 3.87Å; Q91-L140 HydrophobicContact CB-CD2 3.92Å; L92-L140 HydrophobicContact CD2-CB 4.43Å; L92-L140 HydrophobicContact CD2-CD2 4.13Å; L92-L140 HydrophobicContact CG-CD2 4.34Å; L140-K142 PolarHBondContact O-N 3.44Å
141P86.8Confident85.8Confident3 Ų326.2 Ų26.22%0.01916%0.158CC..  trans-45134.9169.2-32.438.4000112.5W84 L92 F133 T134W84-P141 HydrophobicContact CH2-CB 3.9Å; W84-P141 HydrophobicContact CH2-CG 3.84Å; W84-P141 HydrophobicContact CZ2-CB 4.06Å; W84-P141 HydrophobicContact CZ2-CG 3.61Å; L92-P141 HydrophobicContact CD1-CB 4.43Å; L92-P141 HydrophobicContact CD1-CG 4.42Å; L92-P141 HydrophobicContact CD2-CB 4.35Å; L92-P141 WeakPolarHBondContact CD2-O 3.23Å; F133-P141 HydrophobicContact CB-CB 3.93Å; F133-P141 HydrophobicContact CD1-CB 3.87Å; F133-P141 HydrophobicContact CG-CB 4.25Å; T134-P141 VanDerWaalsContact O-CB 3.28Å; T134-P141 WeakPolarHBondContact O-CB 3.13Å
142K89.6Confident85.9Confident80 Ų8027.6 Ų27.635%0.34817%0.165SC..  trans-91.2127.7175.7-64.1-172177-166.40109.8Y96 F133 T134 L140 Y324 E327Y96-K142 WeakPolarHBondContact OH-CA 3.45Å; F133-K142 CarbonylContact C-O 3.53Å; F133-K142 WeakPolarHBondContact CA-O 3.47Å; T134-K142 HydrophobicContact CG2-CB 4.25Å; T134-K142 PolarHBondContact N-O 3.29Å; T134-K142 PolarHBondContact OG1-N 3.12Å; T134-K142 VanDerWaalsContact OG1-N 3.1Å; L140-K142 PolarHBondContact O-N 3.44Å; K142-Y324 HydrophobicContact CB-CD1 3.86Å; K142-Y324 HydrophobicContact CB-CE1 3.91Å; K142-Y324 HydrophobicContact CD-CD1 4.23Å; K142-Y324 HydrophobicContact CD-CE1 4.03Å; K142-E327 IonicContact NZ-OE1 2.82Å
143A92.6Very high86Confident0 Ų027.9 Ų27.90%017%0.167CC..EExtended strand (participates in β ladder)trans-74.5136.2172.900000110.7Y96 I131 G132 F133 Y324 V325Y96-A143 HydrophobicContact CD1-CB 3.88Å; Y96-A143 HydrophobicContact CD2-CB 4.05Å; Y96-A143 HydrophobicContact CE1-CB 3.65Å; Y96-A143 HydrophobicContact CE2-CB 3.82Å; Y96-A143 HydrophobicContact CG-CB 4.06Å; Y96-A143 PolarHBondContact OH-N 2.77Å; Y96-A143 VanDerWaalsContact OH-N 3.11Å; I131-A143 HydrophobicContact CG2-CB 3.89Å; G132-A143 CarbonylContact O-C 3.58Å; G132-A143 VanDerWaalsContact O-CA 3.26Å; G132-A143 WeakPolarHBondContact O-CA 3.39Å; F133-A143 HydrophobicContact CD1-CB 3.96Å; F133-A143 HydrophobicContact CE1-CB 3.62Å; F133-A143 HydrophobicContact CZ-CB 4.16Å; A143-Y324 WeakPolarHBondContact O-CA 3.33Å; A143-V325 HydrophobicContact CB-CB 3.92Å; A143-V325 HydrophobicContact CB-CG2 3.48Å; A143-V325 VanDerWaalsContact CB-CG2 3.48Å; A143-V325 PolarHBondContact O-N 3.19Å
144Y93.8Very high86.2Confident3 Ų327.2 Ų27.21%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-130.1146.617863.2-98.1000112.9I131 G132 F133 T134 R146 F321 G323I131-Y144 VanDerWaalsContact CA-O 3.3Å; I131-Y144 WeakPolarHBondContact CA-O 3.19Å; I131-Y144 WeakPolarHBondContact CG2-O 3.42Å; G132-Y144 VanDerWaalsContact C-CE1 3.42Å; G132-Y144 PolarHBondContact N-O 3.32Å; G132-Y144 WeakPolarHBondContact O-CD1 3.47Å; G132-Y144 PolarHBondContact O-N 3.18Å; F133-Y144 VanDerWaalsContact C-CE1 3.47Å; T134-Y144 HydrophobicContact CG2-CD1 3.89Å; T134-Y144 HydrophobicContact CG2-CE1 4.36Å; Y144-R146 HydrophobicContact CD2-CB 4.26Å; Y144-R146 HydrophobicContact CE2-CB 4.06Å; Y144-F321 HydrophobicContact CG-CD2 4.47Å; Y144-G323 WeakPolarHBondContact CA-O 3.34Å
145Y94.8Very high86.7Confident2 Ų227 Ų271%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-83.2125.5174.1-64.8-60.9000110.6L122 Y125 L128 I131 F321 S322 G323 V325L122-Y145 HydrophobicContact CD2-CE1 4.22Å; Y125-Y145 HydrophobicContact CD1-CD2 4.39Å; Y125-Y145 HydrophobicContact CD1-CG 4.27Å; Y125-Y145 HydrophobicContact CD2-CD1 4.48Å; Y125-Y145 HydrophobicContact CD2-CD2 4.35Å; Y125-Y145 HydrophobicContact CD2-CE2 4.35Å; Y125-Y145 HydrophobicContact CD2-CG 4.41Å; Y125-Y145 AromaticContact CE1-CD2 3.74Å; Y125-Y145 HydrophobicContact CE1-CD2 3.74Å; Y125-Y145 HydrophobicContact CE1-CE2 4.4Å; Y125-Y145 HydrophobicContact CE1-CG 4.05Å; Y125-Y145 AromaticContact CE2-CD2 3.7Å; Y125-Y145 HydrophobicContact CE2-CD2 3.7Å; Y125-Y145 HydrophobicContact CE2-CE1 4.43Å; Y125-Y145 AromaticContact CE2-CE2 3.54Å; Y125-Y145 HydrophobicContact CE2-CE2 3.54Å; Y125-Y145 HydrophobicContact CE2-CG 4.2Å; Y125-Y145 AromaticContact CE2-CZ 3.94Å; Y125-Y145 HydrophobicContact CG-CG 4.44Å; Y125-Y145 AromaticContact CZ-CD2 3.34Å; Y125-Y145 AromaticContact CZ-CE2 3.57Å; Y125-Y145 WeakPolarHBondContact OH-CD2 3.15Å; L128-Y145 HydrophobicContact CD1-CD1 3.88Å; L128-Y145 HydrophobicContact CD1-CG 4.26Å; L128-Y145 HydrophobicContact CD2-CD1 3.64Å; L128-Y145 HydrophobicContact CD2-CE1 4.1Å; L128-Y145 HydrophobicContact CG-CD1 4.46Å; I131-Y145 HydrophobicContact CD1-CD1 4.07Å; I131-Y145 HydrophobicContact CD1-CE1 3.7Å; I131-Y145 HydrophobicContact CG1-CD1 3.73Å; I131-Y145 HydrophobicContact CG1-CE1 3.9Å; Y145-F321 WeakPolarHBondContact O-CB 3.3Å; Y145-S322 PolarHBondContact O-N 3.31Å; Y145-G323 PolarHBondContact N-O 3.49Å; Y145-V325 HydrophobicContact CD1-CG2 4.4Å; Y145-V325 HydrophobicContact CD2-CG2 4.48Å; Y145-V325 HydrophobicContact CE1-CG2 3.89Å; Y145-V325 HydrophobicContact CE2-CB 4.34Å; Y145-V325 HydrophobicContact CE2-CG2 4Å
146R95.6Very high87.9Confident4 Ų430.3 Ų30.32%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-119.6114.2175-178.755.366.1165.50.9110.8L128 L129 H130 Y144 S150 W151 S273 M319 M320L128-R146 WeakPolarHBondContact CD1-O 3.46Å; L129-R146 WeakPolarHBondContact CA-O 3.4Å; L129-R146 VanDerWaalsContact CB-O 3.24Å; L129-R146 WeakPolarHBondContact CB-O 3.12Å; L129-R146 PolarHBondContact N-O 3.31Å; H130-R146 PolarHBondContact N-O 2.86Å; H130-R146 VanDerWaalsContact N-O 3.14Å; H130-R146 PolarHBondContact O-N 2.96Å; Y144-R146 HydrophobicContact CD2-CB 4.26Å; Y144-R146 HydrophobicContact CE2-CB 4.06Å; R146-S150 PolarHBondContact NH1-OG 3.13Å; R146-W151 VanDerWaalsContact CD-CD1 3.42Å; R146-W151 HydrophobicContact CG-CD2 4.34Å; R146-W151 HydrophobicContact CG-CG 4.27Å; R146-W151 HydrophobicContact CG-CZ2 4.41Å; R146-S273 PolarHBondContact NH2-O 3.01Å; R146-M319 PolarHBondContact NH1-O 3.37Å; R146-M320 VanDerWaalsContact NH1-C 3.33Å; R146-M320 PolarHBondContact NH1-O 3.08Å
147D94.9Very high89.5Confident29 Ų2930.1 Ų30.116%0.15517%0.169CC..EExtended strand (participates in β ladder)trans-82.3155.7177.7-69.1-9.3000113N127 L128 S150 W151 S322N127-D147 WeakPolarHBondContact O-CA 3.37Å; L128-D147 WeakPolarHBondContact CA-OD1 3.26Å; L128-D147 WeakPolarHBondContact CD1-OD1 3.32Å; D147-S150 WeakPolarHBondContact O-CB 3.36Å; D147-W151 PolarHBondContact O-N 2.84Å; D147-S322 PolarHBondContact OD1-OG 2.94Å; D147-S322 PolarHBondContact OD2-OG 2.99Å
148E96.5Very high91.5Very high5 Ų527 Ų272%0.02315%0.15CC..Hα-helixtrans-64.7-47.2179.2179.9172.5-124.800111.9N2 V3 I4 N127 L129 S150 W151 L152N2-E148 WeakPolarHBondContact CA-OE1 3.36Å; N2-E148 WeakPolarHBondContact CA-OE2 3.47Å; N2-E148 VanDerWaalsContact CB-OE1 3.23Å; N2-E148 WeakPolarHBondContact CB-OE1 3.12Å; V3-E148 PolarHBondContact N-OE1 3.26Å; V3-E148 PolarHBondContact N-OE2 2.94Å; I4-E148 VanDerWaalsContact CB-OE1 3.3Å; I4-E148 WeakPolarHBondContact CB-OE1 3.18Å; I4-E148 HydrophobicContact CD1-CG 3.91Å; I4-E148 HydrophobicContact CG1-CG 4.04Å; I4-E148 WeakPolarHBondContact CG1-OE1 3.26Å; I4-E148 PolarHBondContact N-OE1 2.69Å; N127-E148 PolarHBondContact O-N 2.79Å; L129-E148 HydrophobicContact CB-CB 4.18Å; L129-E148 HydrophobicContact CD1-CB 4.46Å; E148-S150 PolarHBondContact O-N 3.2Å; E148-S150 VanDerWaalsContact O-N 3.16Å; E148-W151 CarbonylContact O-C 3.49Å; E148-W151 WeakPolarHBondContact O-CA 3.43Å; E148-W151 PolarHBondContact O-N 3.35Å; E148-L152 HydrophobicContact CG-CD1 3.96Å; E148-L152 HydrophobicContact CG-CG 4.12Å; E148-L152 WeakPolarHBondContact O-CG 3.45Å; E148-L152 PolarHBondContact O-N 3.34Å
149D95.3Very high93.3Very high77 Ų7726.6 Ų26.641%0.41214%0.143SC..Hα-helixtrans-56.3-36.7-178.6-62.8-33000111.7N127 L152 A153N127-D149 PolarHBondContact ND2-OD2 3.1Å; D149-L152 PolarHBondContact O-N 2.77Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.76Å
150S95.4Very high94.5Very high3 Ų330 Ų302%0.02115%0.147CC..Hα-helixtrans-64.6-39.3176.6-179.80000113R146 D147 E148 S154 N318 M319 M320R146-S150 PolarHBondContact NH1-OG 3.13Å; D147-S150 WeakPolarHBondContact O-CB 3.36Å; E148-S150 PolarHBondContact O-N 3.2Å; E148-S150 VanDerWaalsContact O-N 3.16Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 3.41Å; S150-S154 VanDerWaalsContact O-N 3.11Å; S150-S154 PolarHBondContact O-OG 3.03Å; S150-N318 WeakPolarHBondContact CA-O 3.49Å; S150-M319 WeakPolarHBondContact OG-CA 3.43Å; S150-M319 PolarHBondContact OG-O 3.07Å; S150-M320 VanDerWaalsContact CB-O 3.31Å; S150-M320 WeakPolarHBondContact CB-O 3.42Å; S150-M320 PolarHBondContact OG-O 3.46Å
151W97Very high95.3Very high5 Ų528.2 Ų28.22%0.01914%0.138CC..Hα-helixtrans-76.6-34.4174.5-88.120.3000113.2L129 H130 R146 D147 E148 S154 F155 L181 Y182 L185L129-W151 HydrophobicContact CD2-CB 4.1Å; L129-W151 HydrophobicContact CD2-CD2 3.8Å; L129-W151 HydrophobicContact CD2-CE3 3.46Å; L129-W151 VanDerWaalsContact CD2-CE3 3.46Å; L129-W151 HydrophobicContact CD2-CG 4.1Å; L129-W151 HydrophobicContact CD2-CZ3 4.18Å; H130-W151 AromaticContact CE1-CE2 3.75Å; H130-W151 AromaticContact CE1-CH2 3.34Å; H130-W151 WeakPolarHBondContact CE1-CH2 3.4Å; H130-W151 AromaticContact CE1-CZ2 3.29Å; H130-W151 WeakPolarHBondContact CE1-CZ2 3.41Å; H130-W151 AromaticContact CE1-CZ3 3.86Å; H130-W151 AromaticContact NE2-CH2 4Å; H130-W151 AromaticContact NE2-CZ2 3.77Å; R146-W151 VanDerWaalsContact CD-CD1 3.42Å; R146-W151 HydrophobicContact CG-CD2 4.34Å; R146-W151 HydrophobicContact CG-CG 4.27Å; R146-W151 HydrophobicContact CG-CZ2 4.41Å; D147-W151 PolarHBondContact O-N 2.84Å; E148-W151 CarbonylContact O-C 3.49Å; E148-W151 WeakPolarHBondContact O-CA 3.43Å; E148-W151 PolarHBondContact O-N 3.35Å; W151-S154 CarbonylContact O-C 3.6Å; W151-S154 WeakPolarHBondContact O-CA 3.39Å; W151-S154 WeakPolarHBondContact O-CB 3.24Å; W151-S154 PolarHBondContact O-N 2.84Å; W151-S154 VanDerWaalsContact O-N 3.14Å; W151-F155 HydrophobicContact CB-CE1 4.45Å; W151-F155 HydrophobicContact CB-CZ 4.18Å; W151-F155 HydrophobicContact CE3-CE1 4.49Å; W151-F155 HydrophobicContact CE3-CZ 4.15Å; W151-F155 WeakPolarHBondContact O-CD1 3.26Å; W151-F155 WeakPolarHBondContact O-CD2 3.47Å; W151-F155 WeakPolarHBondContact O-CG 3.44Å; W151-F155 PolarHBondContact O-N 2.79Å; W151-L181 HydrophobicContact CH2-CB 3.85Å; W151-L181 HydrophobicContact CH2-CD2 3.85Å; W151-L181 HydrophobicContact CH2-CG 3.6Å; W151-L181 HydrophobicContact CZ3-CG 4.04Å; W151-Y182 HydrophobicContact CD2-CD2 4.24Å; W151-Y182 HydrophobicContact CG-CD2 4.46Å; W151-Y182 VanDerWaalsContact CH2-CA 3.47Å; W151-Y182 VanDerWaalsContact CH2-N 3.27Å; W151-L185 HydrophobicContact CE3-CB 4.16Å; W151-L185 HydrophobicContact CE3-CD1 3.77Å; W151-L185 HydrophobicContact CE3-CG 4.37Å; W151-L185 HydrophobicContact CZ3-CB 3.98Å; W151-L185 HydrophobicContact CZ3-CD1 3.46Å; W151-L185 VanDerWaalsContact CZ3-CD1 3.46Å; W151-L185 HydrophobicContact CZ3-CG 3.86Å
152L97.5Very high95.7Very high29 Ų2928.6 Ų28.615%0.15214%0.14CC..Hα-helixtrans-60.5-47.6172-68.1172.9000111.1V3 I4 E148 D149 S154 F155 E156V3-L152 HydrophobicContact CB-CD1 3.89Å; V3-L152 HydrophobicContact CG1-CD1 4.04Å; V3-L152 HydrophobicContact CG1-CD2 4.21Å; V3-L152 HydrophobicContact CG2-CD1 4.2Å; I4-L152 HydrophobicContact CD1-CD2 4.49Å; I4-L152 HydrophobicContact CG1-CD2 3.83Å; I4-L152 HydrophobicContact CG1-CG 4.47Å; E148-L152 HydrophobicContact CG-CD1 3.96Å; E148-L152 HydrophobicContact CG-CG 4.12Å; E148-L152 WeakPolarHBondContact O-CG 3.45Å; E148-L152 PolarHBondContact O-N 3.34Å; D149-L152 PolarHBondContact O-N 2.77Å; L152-S154 PolarHBondContact O-N 2.82Å; L152-F155 HydrophobicContact CD2-CD2 4.09Å; L152-F155 HydrophobicContact CD2-CE2 4.38Å; L152-F155 WeakPolarHBondContact O-CB 3.23Å; L152-F155 PolarHBondContact O-N 3Å; L152-E156 WeakPolarHBondContact O-CG 3.09Å; L152-E156 PolarHBondContact O-N 2.78Å
153A97Very high96Very high6 Ų627.7 Ų27.75%0.0514%0.138CC..Hα-helixtrans-58.4-38.817300000112.1D149 E156 V157 N318 M319D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.76Å; A153-E156 PolarHBondContact O-N 2.8Å; A153-V157 PolarHBondContact O-N 2.91Å; A153-N318 HydrophobicContact CB-CB 4.44Å; A153-N318 VanDerWaalsContact CB-ND2 3.34Å; A153-N318 WeakPolarHBondContact CB-ND2 3.26Å; A153-M319 HydrophobicContact CB-CG 3.84Å
154S97.4Very high96.1Very high0 Ų037.3 Ų37.30%018%0.18CC..Hα-helixtrans-68.4-32.5175.7-58.60000112.8S150 W151 L152 V157 N158 Y182 S276S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 3.41Å; S150-S154 VanDerWaalsContact O-N 3.11Å; S150-S154 PolarHBondContact O-OG 3.03Å; W151-S154 CarbonylContact O-C 3.6Å; W151-S154 WeakPolarHBondContact O-CA 3.39Å; W151-S154 WeakPolarHBondContact O-CB 3.24Å; W151-S154 PolarHBondContact O-N 2.84Å; W151-S154 VanDerWaalsContact O-N 3.14Å; L152-S154 PolarHBondContact O-N 2.82Å; S154-V157 WeakPolarHBondContact O-CG2 3.43Å; S154-N158 PolarHBondContact O-N 3.46Å; S154-Y182 VanDerWaalsContact C-OH 3.32Å; S154-Y182 PolarHBondContact O-OH 3.42Å; S154-S276 WeakPolarHBondContact CB-OG 3.5Å; S154-S276 WeakPolarHBondContact OG-CB 3.48Å; S154-S276 PolarHBondContact OG-OG 2.94Å
155F97.9Very high96.1Very high12 Ų1241.1 Ų41.15%0.05320%0.201CC..Hα-helixtrans-67.4-44.3174.1-62.5-23.5000110.9I4 W151 L152 V157 N158 E159 Y182 L185 F186I4-F155 HydrophobicContact CD1-CE2 3.67Å; I4-F155 HydrophobicContact CD1-CZ 4.09Å; I4-F155 HydrophobicContact CG1-CE2 3.97Å; W151-F155 HydrophobicContact CB-CE1 4.45Å; W151-F155 HydrophobicContact CB-CZ 4.18Å; W151-F155 HydrophobicContact CE3-CE1 4.49Å; W151-F155 HydrophobicContact CE3-CZ 4.15Å; W151-F155 WeakPolarHBondContact O-CD1 3.26Å; W151-F155 WeakPolarHBondContact O-CD2 3.47Å; W151-F155 WeakPolarHBondContact O-CG 3.44Å; W151-F155 PolarHBondContact O-N 2.79Å; L152-F155 HydrophobicContact CD2-CD2 4.09Å; L152-F155 HydrophobicContact CD2-CE2 4.38Å; L152-F155 WeakPolarHBondContact O-CB 3.23Å; L152-F155 PolarHBondContact O-N 3Å; F155-V157 VanDerWaalsContact C-N 3.31Å; F155-V157 PolarHBondContact O-N 3.06Å; F155-N158 PolarHBondContact O-N 3.01Å; F155-E159 WeakPolarHBondContact O-CB 3.47Å; F155-E159 PolarHBondContact O-N 2.96Å; F155-Y182 HydrophobicContact CD1-CD2 4.09Å; F155-Y182 HydrophobicContact CD1-CE1 4.5Å; F155-Y182 AromaticContact CD1-CE2 3.31Å; F155-Y182 HydrophobicContact CD1-CE2 3.31Å; F155-Y182 AromaticContact CD1-CZ 3.55Å; F155-Y182 AromaticContact CE1-CD2 3.64Å; F155-Y182 HydrophobicContact CE1-CD2 3.64Å; F155-Y182 AromaticContact CE1-CE2 3.36Å; F155-Y182 HydrophobicContact CE1-CE2 3.36Å; F155-Y182 HydrophobicContact CE1-CG 4.37Å; F155-Y182 AromaticContact CE1-CZ 3.9Å; F155-L185 HydrophobicContact CZ-CB 3.96Å; F155-F186 HydrophobicContact CB-CD2 3.67Å; F155-F186 HydrophobicContact CB-CE2 3.73Å; F155-F186 HydrophobicContact CD1-CB 3.55Å; F155-F186 AromaticContact CD1-CD2 3.53Å; F155-F186 HydrophobicContact CD1-CD2 3.53Å; F155-F186 HydrophobicContact CD1-CE2 4.37Å; F155-F186 AromaticContact CD1-CG 3.63Å; F155-F186 HydrophobicContact CD1-CG 3.63Å; F155-F186 HydrophobicContact CD2-CD2 4.26Å; F155-F186 HydrophobicContact CE1-CB 3.46Å; F155-F186 VanDerWaalsContact CE1-CB 3.46Å; F155-F186 HydrophobicContact CE1-CD2 4.27Å; F155-F186 HydrophobicContact CE1-CG 4.09Å; F155-F186 HydrophobicContact CG-CB 4.35Å; F155-F186 AromaticContact CG-CD2 3.56Å; F155-F186 HydrophobicContact CG-CD2 3.56Å; F155-F186 HydrophobicContact CG-CE2 4.17Å; F155-F186 HydrophobicContact CG-CG 4.16Å; F155-F186 HydrophobicContact CZ-CB 4.15Å
156E97.5Very high96.1Very high119 Ų11941.2 Ų41.256%0.55620%0.201SC*.Hα-helixtrans-55.8-45.3178.9-70.1174.1-17900111.9L152 A153 E159 M160L152-E156 WeakPolarHBondContact O-CG 3.09Å; L152-E156 PolarHBondContact O-N 2.78Å; A153-E156 PolarHBondContact O-N 2.8Å; E156-E159 PolarHBondContact O-N 2.7Å; E156-M160 WeakPolarHBondContact O-CG 3.48Å; E156-M160 PolarHBondContact O-N 2.99Å
157V96.9Very high96.2Very high2 Ų244 Ų441%0.01222%0.216CC..Hα-helixtrans-70.2-33.5-178.4-58.90000114.1A153 S154 F155 M160 F277 F295 M319A153-V157 PolarHBondContact O-N 2.91Å; S154-V157 WeakPolarHBondContact O-CG2 3.43Å; F155-V157 VanDerWaalsContact C-N 3.31Å; F155-V157 PolarHBondContact O-N 3.06Å; V157-M160 HydrophobicContact CB-CE 3.94Å; V157-M160 HydrophobicContact CG1-CE 3.8Å; V157-F277 HydrophobicContact CG2-CD2 3.98Å; V157-F295 HydrophobicContact CB-CD1 3.57Å; V157-F295 HydrophobicContact CB-CE1 3.78Å; V157-F295 HydrophobicContact CB-CG 4.37Å; V157-F295 HydrophobicContact CG1-CD1 4.12Å; V157-F295 HydrophobicContact CG2-CD1 3.93Å; V157-F295 HydrophobicContact CG2-CE1 3.9Å; V157-F295 HydrophobicContact CG2-CG 4.44Å; V157-F295 HydrophobicContact CG2-CZ 4.45Å; V157-M319 HydrophobicContact CG1-SD 4.21Å; V157-M319 HydrophobicContact CG2-CE 4.46Å; V157-M319 HydrophobicContact CG2-SD 3.63Å
158N96.1Very high96.3Very high0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-77.1-32.6174.5-84-19.3000112.1S154 F155 M160 L161 M162 Y182 F186 F243 F277S154-N158 PolarHBondContact O-N 3.46Å; F155-N158 PolarHBondContact O-N 3.01Å; N158-M160 PolarHBondContact O-N 3.03Å; N158-L161 PolarHBondContact O-N 3.18Å; N158-M162 WeakPolarHBondContact O-CB 3.36Å; N158-M162 PolarHBondContact O-N 3.4Å; N158-Y182 WeakPolarHBondContact CB-OH 3.06Å; N158-Y182 WeakPolarHBondContact ND2-CE1 3.36Å; N158-Y182 PolarHBondContact ND2-OH 2.86Å; N158-F186 HydrophobicContact CB-CE1 3.96Å; N158-F186 HydrophobicContact CB-CZ 4.33Å; N158-F243 HydrophobicContact CB-CE1 4.48Å; N158-F277 WeakPolarHBondContact ND2-CE2 3.38Å; N158-F277 WeakPolarHBondContact ND2-CZ 3.47Å
159E97Very high96.4Very high73 Ų7342.3 Ų42.334%0.34121%0.207SC..Hα-helixtrans-60.3-33.6172.7-167.568.2-148.100111.5F155 E156 L161 M162 F186 R192F155-E159 WeakPolarHBondContact O-CB 3.47Å; F155-E159 PolarHBondContact O-N 2.96Å; E156-E159 PolarHBondContact O-N 2.7Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.01Å; E159-M162 WeakPolarHBondContact OE2-CE 3.22Å; E159-F186 HydrophobicContact CB-CZ 4.15Å; E159-F186 WeakPolarHBondContact OE2-CE2 3.32Å; E159-F186 VanDerWaalsContact OE2-CZ 3.26Å; E159-F186 WeakPolarHBondContact OE2-CZ 3.25Å; E159-R192 IonicContact OE1-CZ 3.49Å; E159-R192 IonicContact OE1-NH1 2.64Å; E159-R192 IonicContact OE1-NH2 3.01Å; E159-R192 PolarHBondContact OE1-NH2 2.6Å; E159-R192 IonicContact OE2-CZ 3Å; E159-R192 IonicContact OE2-NH1 2.76Å; E159-R192 PolarHBondContact OE2-NH1 3.17Å; E159-R192 IonicContact OE2-NH2 3.66Å; E159-R192 PolarHBondContact OE2-NH2 3.26Å
160M95.6Very high96.5Very high120 Ų12038.7 Ų38.759%0.59119%0.188SC*.Hα-helixtrans-64.4-29.6173.4-69.1-169.8-75.100113.8E156 V157 N158 P296E156-M160 WeakPolarHBondContact O-CG 3.48Å; E156-M160 PolarHBondContact O-N 2.99Å; V157-M160 HydrophobicContact CB-CE 3.94Å; V157-M160 HydrophobicContact CG1-CE 3.8Å; N158-M160 PolarHBondContact O-N 3.03Å; M160-P296 HydrophobicContact CE-CG 4.24Å
161L95.4Very high96.7Very high21 Ų2138.6 Ų38.611%0.1119%0.187CC..Hα-helixtrans-94.7-23.7-177.2-61.8-179.3000113N158 E159 F243 I267 Y280 F295N158-L161 PolarHBondContact O-N 3.18Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.01Å; L161-F243 HydrophobicContact CB-CE1 4.34Å; L161-F243 HydrophobicContact CB-CZ 4.42Å; L161-I267 HydrophobicContact CB-CG1 4.45Å; L161-I267 HydrophobicContact CD1-CG2 3.71Å; L161-Y280 HydrophobicContact CD1-CD1 4.48Å; L161-Y280 HydrophobicContact CD1-CD2 3.76Å; L161-Y280 HydrophobicContact CD1-CE2 4.3Å; L161-Y280 HydrophobicContact CD1-CG 3.87Å; L161-Y280 HydrophobicContact CD2-CD2 3.88Å; L161-Y280 HydrophobicContact CD2-CE2 3.6Å; L161-F295 HydrophobicContact CD1-CE1 3.61Å; L161-F295 HydrophobicContact CD1-CZ 3.83Å; L161-F295 HydrophobicContact CG-CE1 4.43Å
162M95.7Very high96.7Very high11 Ų1138.5 Ų38.55%0.05419%0.187CC..SBendtrans-74.7147.4-178.6-163.2167.640.600111N158 E159 E166 I169 F186 R192 A218 F243N158-M162 WeakPolarHBondContact O-CB 3.36Å; N158-M162 PolarHBondContact O-N 3.4Å; E159-M162 WeakPolarHBondContact OE2-CE 3.22Å; M162-E166 HydrophobicContact CG-CB 4.24Å; M162-E166 WeakPolarHBondContact CG-OE2 3.42Å; M162-I169 HydrophobicContact SD-CD1 4.16Å; M162-I169 HydrophobicContact SD-CG1 4.4Å; M162-F186 HydrophobicContact CE-CE1 3.55Å; M162-F186 HydrophobicContact CE-CE2 4.34Å; M162-F186 HydrophobicContact CE-CZ 3.33Å; M162-F186 HydrophobicContact SD-CE1 4.11Å; M162-F186 HydrophobicContact SD-CZ 4.47Å; M162-R192 VanDerWaalsContact CE-NH1 3.26Å; M162-A218 HydrophobicContact CG-CB 4.36Å; M162-A218 HydrophobicContact SD-CB 4.17Å; M162-F243 HydrophobicContact CB-CZ 4.1Å; M162-F243 HydrophobicContact CG-CE2 4.38Å; M162-F243 HydrophobicContact CG-CZ 4.41Å
163L96Very high96.6Very high61 Ų6137.7 Ų37.732%0.31919%0.186SC..  trans-77.1134.5177.1-60.6172.6000109.5N165 E166 Q240 N265L163-N165 WeakPolarHBondContact CB-OD1 3.09Å; L163-N165 PolarHBondContact O-N 3.23Å; L163-E166 HydrophobicContact CB-CG 4Å; L163-E166 PolarHBondContact N-OE2 3.15Å; L163-E166 WeakPolarHBondContact O-CB 3.34Å; L163-E166 PolarHBondContact O-N 3.46Å; L163-Q240 HydrophobicContact CD1-CB 4.13Å; L163-N265 HydrophobicContact CD1-CB 4.28Å
164K94.3Very high96.4Very high202 Ų20239.5 Ų39.588%0.87820%0.198SC*.THydrogen-bonded Turntrans-60-24.3-173.5-66.2-174.1177.8-177.60114.7E166K164-E166 VanDerWaalsContact C-N 3.35Å
165N94Very high96.3Very high83 Ų8340.2 Ų40.244%0.44420%0.201SC..THydrogen-bonded Turntrans-84.3-9179.264.3-28.4000113.1L163 N167 K216L163-N165 WeakPolarHBondContact CB-OD1 3.09Å; L163-N165 PolarHBondContact O-N 3.23Å; N165-N167 PolarHBondContact O-N 3.48Å; N165-K216 VanDerWaalsContact O-CB 3.3Å; N165-K216 WeakPolarHBondContact O-CB 3.03Å
166E96.2Very high96Very high3 Ų340.4 Ų40.41%0.01420%0.204CC..  trans-69.9113.1178-69.7170140.300110M162 L163 K164 R192 K216 A218 Q240 S241M162-E166 HydrophobicContact CG-CB 4.24Å; M162-E166 WeakPolarHBondContact CG-OE2 3.42Å; L163-E166 HydrophobicContact CB-CG 4Å; L163-E166 PolarHBondContact N-OE2 3.15Å; L163-E166 WeakPolarHBondContact O-CB 3.34Å; L163-E166 PolarHBondContact O-N 3.46Å; K164-E166 VanDerWaalsContact C-N 3.35Å; E166-R192 PolarHBondContact O-NE 3.4Å; E166-K216 CarbonylContact C-O 3.5Å; E166-K216 VanDerWaalsContact CA-O 3.22Å; E166-K216 WeakPolarHBondContact CA-O 3.46Å; E166-K216 HydrophobicContact CG-CB 4.43Å; E166-A218 HydrophobicContact CG-CB 4.5Å; E166-Q240 HydrophobicContact CG-CB 3.83Å; E166-Q240 HydrophobicContact CG-CG 4.34Å; E166-Q240 WeakPolarHBondContact OE1-CB 3.13Å; E166-S241 WeakPolarHBondContact OE1-CB 3.32Å; E166-S241 PolarHBondContact OE1-N 3.46Å; E166-S241 PolarHBondContact OE1-OG 3.47Å; E166-S241 PolarHBondContact OE2-OG 3.18Å
167N96Very high95.7Very high62 Ų6238.8 Ų38.833%0.33220%0.196SC..  trans-110.1-0.2-17660.64.1000112.7N165 R192 T193 S214 Y215 K216N165-N167 PolarHBondContact O-N 3.48Å; N167-R192 VanDerWaalsContact O-CA 3.31Å; N167-R192 WeakPolarHBondContact O-CA 3.49Å; N167-R192 VanDerWaalsContact O-CB 3.27Å; N167-R192 WeakPolarHBondContact O-CB 3.45Å; N167-T193 PolarHBondContact O-N 3.13Å; N167-T193 VanDerWaalsContact O-N 3.08Å; N167-S214 PolarHBondContact ND2-O 3.07Å; N167-Y215 WeakPolarHBondContact OD1-CA 3.36Å; N167-K216 PolarHBondContact N-O 2.97Å; N167-K216 PolarHBondContact OD1-N 2.84Å; N167-K216 PolarHBondContact OD1-O 3.43Å
168A97.5Very high95.6Very high0 Ų040.5 Ų40.50%021%0.208CC..EExtended strand (participates in β ladder)trans-137.7144.7175.300000111.1T193 I195 Y215 K216 V217 A218A168-T193 CarbonylContact C-O 3.49Å; A168-T193 VanDerWaalsContact CA-O 3.26Å; A168-T193 WeakPolarHBondContact CA-O 3.45Å; A168-I195 HydrophobicContact CB-CD1 4.21Å; A168-Y215 HydrophobicContact CB-CD2 3.52Å; A168-Y215 HydrophobicContact CB-CE2 3.99Å; A168-Y215 HydrophobicContact CB-CG 4.09Å; A168-K216 PolarHBondContact N-O 2.84Å; A168-V217 HydrophobicContact CB-CG2 4.04Å; A168-V217 WeakPolarHBondContact O-CA 3.37Å; A168-A218 PolarHBondContact O-N 2.8Å
169I98.4Very high95.5Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-121.7123.7175.5-59.7-175.9000108.1M162 A183 F186 A187 T193 F194 I195 A218 F220M162-I169 HydrophobicContact SD-CD1 4.16Å; M162-I169 HydrophobicContact SD-CG1 4.4Å; I169-A183 HydrophobicContact CG2-CB 3.92Å; I169-F186 HydrophobicContact CD1-CB 4.38Å; I169-F186 HydrophobicContact CD1-CD1 3.5Å; I169-F186 HydrophobicContact CD1-CE1 3.93Å; I169-F186 HydrophobicContact CD1-CG 4Å; I169-A187 HydrophobicContact CB-CB 3.95Å; I169-A187 HydrophobicContact CD1-CB 4.15Å; I169-A187 HydrophobicContact CG1-CB 4.28Å; I169-T193 PolarHBondContact N-O 3.26Å; I169-F194 CarbonylContact O-C 3.58Å; I169-F194 WeakPolarHBondContact O-CA 3.1Å; I169-I195 PolarHBondContact O-N 2.84Å; I169-A218 CarbonylContact C-O 3.55Å; I169-A218 WeakPolarHBondContact CA-O 3.41Å; I169-F220 HydrophobicContact CD1-CE2 4.49Å; I169-F220 HydrophobicContact CG2-CD2 3.49Å; I169-F220 VanDerWaalsContact CG2-CD2 3.49Å; I169-F220 HydrophobicContact CG2-CE2 3.64Å
170A98.3Very high95.5Very high0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-103.9131.5175.900000111.2I195 L205 V217 A218 M219 F220A170-I195 CarbonylContact C-O 3.59Å; A170-I195 VanDerWaalsContact CA-O 3.27Å; A170-I195 WeakPolarHBondContact CA-O 3.28Å; A170-I195 HydrophobicContact CB-CB 3.9Å; A170-I195 HydrophobicContact CB-CG2 4.43Å; A170-L205 HydrophobicContact CB-CD1 4.34Å; A170-V217 HydrophobicContact CB-CG1 3.72Å; A170-A218 PolarHBondContact N-O 2.75Å; A170-M219 HydrophobicContact CB-CB 4.43Å; A170-M219 HydrophobicContact CB-CG 4.05Å; A170-M219 CarbonylContact O-C 3.46Å; A170-M219 WeakPolarHBondContact O-CA 3.07Å; A170-F220 PolarHBondContact O-N 3.01Å
171A98.4Very high95.6Very high1 Ų133.3 Ų33.31%0.00817%0.174CC..  trans-142.7102167.100000109.1G173 T180 A183 F194 I195 F220A171-G173 VanDerWaalsContact C-N 3.25Å; A171-G173 PolarHBondContact O-N 3.25Å; A171-T180 HydrophobicContact CB-CG2 3.98Å; A171-T180 WeakPolarHBondContact O-CG2 3.45Å; A171-A183 HydrophobicContact CB-CB 3.56Å; A171-F194 HydrophobicContact CB-CE2 3.87Å; A171-F194 HydrophobicContact CB-CZ 4.24Å; A171-I195 PolarHBondContact N-O 2.54Å; A171-F220 HydrophobicContact CB-CB 4.21Å
172P97.4Very high95.7Very high3 Ų332.5 Ų32.52%0.01917%0.17CC..  trans-88.914.2-172.439.3-40.9000113.3Q197 F200 L205 L221 M225P172-Q197 HydrophobicContact CB-CB 4.17Å; P172-Q197 HydrophobicContact CB-CG 4.05Å; P172-F200 HydrophobicContact CB-CD2 3.73Å; P172-F200 HydrophobicContact CG-CD2 3.53Å; P172-F200 HydrophobicContact CG-CE2 3.97Å; P172-F200 HydrophobicContact CG-CG 4.48Å; P172-L205 HydrophobicContact CB-CD1 4.32Å; P172-L205 HydrophobicContact CB-CD2 4.08Å; P172-L205 HydrophobicContact CG-CD2 3.8Å; P172-L221 HydrophobicContact CG-CD2 3.9Å; P172-M225 HydrophobicContact CG-CE 4.4Å; P172-M225 HydrophobicContact CG-SD 3.9Å
173G94.7Very high95.9Very high12 Ų1232 Ų3212%0.12417%0.167CC..SBendtrans-82176.517600000112.5A171 T180A171-G173 VanDerWaalsContact C-N 3.25Å; A171-G173 PolarHBondContact O-N 3.25Å; G173-T180 VanDerWaalsContact C-OG1 3.24Å; G173-T180 WeakPolarHBondContact CA-OG1 3.44Å; G173-T180 WeakPolarHBondContact O-CG2 3.21Å; G173-T180 PolarHBondContact O-OG1 2.81Å
174P92.9Very high96Very high45 Ų4529.1 Ų29.129%0.29215%0.153SC..  trans-73.2146.2174.4-6.922.8000111.2E81 S176 H177 T180E81-P174 VanDerWaalsContact OE2-CB 3.31Å; E81-P174 WeakPolarHBondContact OE2-CB 3.23Å; P174-S176 PolarHBondContact O-N 2.77Å; P174-H177 PolarHBondContact O-N 3.13Å; P174-T180 WeakPolarHBondContact O-CB 2.99Å; P174-T180 PolarHBondContact O-OG1 3.39Å
175L95.6Very high96.2Very high15 Ų1519.6 Ų19.68%0.07911%0.111CC..THydrogen-bonded Turntrans-71.8-13.6179.4-70.3170.2000114.1P60 I64 M79 H177 T180 L181 L184P60-L175 HydrophobicContact CB-CD1 3.87Å; P60-L175 WeakPolarHBondContact O-CD1 3.39Å; I64-L175 HydrophobicContact CD1-CD1 4.03Å; I64-L175 HydrophobicContact CG1-CD1 3.56Å; M79-L175 HydrophobicContact CE-CB 3.99Å; L175-H177 PolarHBondContact O-N 2.92Å; L175-T180 HydrophobicContact CD2-CG2 3.81Å; L175-T180 HydrophobicContact CG-CG2 4.41Å; L175-L181 HydrophobicContact CD2-CD1 4.5Å; L175-L181 WeakPolarHBondContact O-CB 3.42Å; L175-L184 HydrophobicContact CD2-CB 4.3Å; L175-L184 HydrophobicContact CD2-CD2 3.81Å
176S92.3Very high96.4Very high15 Ų1515.8 Ų15.811%0.1059%0.091CC..THydrogen-bonded Turntrans-67-24.4170.160.90000112.1E81 P174E81-S176 PolarHBondContact OE2-OG 2.81Å; P174-S176 PolarHBondContact O-N 2.77Å
177H91.6Very high96.5Very high86 Ų8615.7 Ų15.740%0.3989%0.09SC..SBendtrans-87.5135.6177.6-68.1-95.8000110.5P174 L175 L179 T180 L181P174-H177 PolarHBondContact O-N 3.13Å; L175-H177 PolarHBondContact O-N 2.92Å; H177-L179 VanDerWaalsContact C-N 3.26Å; H177-L179 PolarHBondContact O-N 3.23Å; H177-T180 PolarHBondContact O-N 3.29Å; H177-L181 PolarHBondContact O-N 2.78Å
178S93.5Very high96.7Very high38 Ų3812.8 Ų12.827%0.2667%0.074SC..Hα-helixtrans-54.1-39.4-177.655.40000113.3T180 L181 Y182S178-T180 PolarHBondContact O-N 2.75Å; S178-L181 PolarHBondContact O-N 3.5Å; S178-Y182 WeakPolarHBondContact O-CA 3.17Å; S178-Y182 WeakPolarHBondContact O-CB 3.42Å; S178-Y182 PolarHBondContact O-N 2.77Å
179L95.2Very high96.7Very high32 Ų3213.1 Ų13.117%0.1688%0.077CC..Hα-helixtrans-58.1-49.1-179.1-178.663.5000112.5H177 A183 F220 V222 F269H177-L179 VanDerWaalsContact C-N 3.26Å; H177-L179 PolarHBondContact O-N 3.23Å; L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 2.95Å; L179-F220 HydrophobicContact CD1-CB 4.08Å; L179-F220 HydrophobicContact CD1-CD1 3.91Å; L179-F220 HydrophobicContact CD1-CG 4.49Å; L179-F220 HydrophobicContact CG-CB 4.36Å; L179-V222 HydrophobicContact CD2-CG1 4.23Å; L179-F269 HydrophobicContact CD1-CE2 4.33Å; L179-F269 HydrophobicContact CD1-CZ 3.83Å
180T96.7Very high96.6Very high5 Ų514.7 Ų14.73%0.0319%0.088CC..Hα-helixtrans-70.1-45.2-178.4-44.10000111.1A171 G173 P174 L175 H177 S178 Y182 A183 L184 F194A171-T180 HydrophobicContact CB-CG2 3.98Å; A171-T180 WeakPolarHBondContact O-CG2 3.45Å; G173-T180 VanDerWaalsContact C-OG1 3.24Å; G173-T180 WeakPolarHBondContact CA-OG1 3.44Å; G173-T180 WeakPolarHBondContact O-CG2 3.21Å; G173-T180 PolarHBondContact O-OG1 2.81Å; P174-T180 WeakPolarHBondContact O-CB 2.99Å; P174-T180 PolarHBondContact O-OG1 3.39Å; L175-T180 HydrophobicContact CD2-CG2 3.81Å; L175-T180 HydrophobicContact CG-CG2 4.41Å; H177-T180 PolarHBondContact O-N 3.29Å; S178-T180 PolarHBondContact O-N 2.75Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 PolarHBondContact O-N 3.34Å; T180-A183 PolarHBondContact O-N 2.91Å; T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 PolarHBondContact O-N 3.37Å; T180-F194 HydrophobicContact CG2-CZ 4.09Å
181L97.7Very high96.5Very high4 Ų415.1 Ų15.12%0.0219%0.092CC..Hα-helixtrans-64.4-38.9179.4-172.964.5000111.4Y67 M79 W151 L175 H177 S178 L184 L185Y67-L181 HydrophobicContact CD2-CD1 4.46Å; Y67-L181 HydrophobicContact CE2-CD1 4.28Å; Y67-L181 HydrophobicContact CE2-CD2 4.26Å; M79-L181 HydrophobicContact CG-CD2 3.88Å; W151-L181 HydrophobicContact CH2-CB 3.85Å; W151-L181 HydrophobicContact CH2-CD2 3.85Å; W151-L181 HydrophobicContact CH2-CG 3.6Å; W151-L181 HydrophobicContact CZ3-CG 4.04Å; L175-L181 HydrophobicContact CD2-CD1 4.5Å; L175-L181 WeakPolarHBondContact O-CB 3.42Å; H177-L181 PolarHBondContact O-N 2.78Å; S178-L181 PolarHBondContact O-N 3.5Å; L181-L184 HydrophobicContact CD1-CD2 4.18Å; L181-L184 PolarHBondContact O-N 2.85Å; L181-L185 PolarHBondContact O-N 3.34Å
182Y98Very high96.5Very high5 Ų516.2 Ų16.22%0.0210%0.096CC..Hα-helixtrans-59.7-52.5173.1169.4-88.3000110.6W151 S154 F155 N158 S178 T180 L184 L185 F186 F220 F277W151-Y182 HydrophobicContact CD2-CD2 4.24Å; W151-Y182 HydrophobicContact CG-CD2 4.46Å; W151-Y182 VanDerWaalsContact CH2-CA 3.47Å; W151-Y182 VanDerWaalsContact CH2-N 3.27Å; S154-Y182 VanDerWaalsContact C-OH 3.32Å; S154-Y182 PolarHBondContact O-OH 3.42Å; F155-Y182 HydrophobicContact CD1-CD2 4.09Å; F155-Y182 HydrophobicContact CD1-CE1 4.5Å; F155-Y182 AromaticContact CD1-CE2 3.31Å; F155-Y182 HydrophobicContact CD1-CE2 3.31Å; F155-Y182 AromaticContact CD1-CZ 3.55Å; F155-Y182 AromaticContact CE1-CD2 3.64Å; F155-Y182 HydrophobicContact CE1-CD2 3.64Å; F155-Y182 AromaticContact CE1-CE2 3.36Å; F155-Y182 HydrophobicContact CE1-CE2 3.36Å; F155-Y182 HydrophobicContact CE1-CG 4.37Å; F155-Y182 AromaticContact CE1-CZ 3.9Å; N158-Y182 WeakPolarHBondContact CB-OH 3.06Å; N158-Y182 WeakPolarHBondContact ND2-CE1 3.36Å; N158-Y182 PolarHBondContact ND2-OH 2.86Å; S178-Y182 WeakPolarHBondContact O-CA 3.17Å; S178-Y182 WeakPolarHBondContact O-CB 3.42Å; S178-Y182 PolarHBondContact O-N 2.77Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 PolarHBondContact O-N 3.34Å; Y182-L184 VanDerWaalsContact C-N 3.29Å; Y182-L184 PolarHBondContact O-N 2.57Å; Y182-L185 PolarHBondContact O-N 3.04Å; Y182-F186 HydrophobicContact CE1-CB 4.4Å; Y182-F186 HydrophobicContact CE1-CD1 4.16Å; Y182-F186 VanDerWaalsContact O-CB 3.26Å; Y182-F186 WeakPolarHBondContact O-CB 3.28Å; Y182-F186 PolarHBondContact O-N 3.45Å; Y182-F220 HydrophobicContact CD1-CE1 4.26Å; Y182-F220 HydrophobicContact CE1-CD1 4.46Å; Y182-F220 AromaticContact CE1-CE1 3.79Å; Y182-F220 HydrophobicContact CE1-CE1 3.79Å; Y182-F220 HydrophobicContact CE1-CZ 4.26Å; Y182-F277 HydrophobicContact CD1-CZ 4.1Å; Y182-F277 HydrophobicContact CD2-CZ 4.37Å; Y182-F277 HydrophobicContact CE1-CE2 4.09Å; Y182-F277 AromaticContact CE1-CZ 3.72Å; Y182-F277 HydrophobicContact CE1-CZ 3.72Å; Y182-F277 AromaticContact CE2-CE2 3.81Å; Y182-F277 HydrophobicContact CE2-CE2 3.81Å; Y182-F277 AromaticContact CE2-CZ 3.99Å; Y182-F277 HydrophobicContact CE2-CZ 3.99Å; Y182-F277 HydrophobicContact CG-CZ 4.42Å; Y182-F277 AromaticContact CZ-CE2 3.55Å; Y182-F277 AromaticContact CZ-CZ 3.66Å
183A98.6Very high96.5Very high0 Ų016.3 Ų16.30%010%0.097CC..Hα-helixtrans-61.2-37.8-179.500000112.3I169 A171 L179 T180 A187 F194 F220I169-A183 HydrophobicContact CG2-CB 3.92Å; A171-A183 HydrophobicContact CB-CB 3.56Å; L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 2.95Å; T180-A183 PolarHBondContact O-N 2.91Å; A183-A187 VanDerWaalsContact O-CB 3.3Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.83Å; A183-F194 HydrophobicContact CB-CE2 4.31Å; A183-F220 HydrophobicContact CB-CB 4.06Å; A183-F220 HydrophobicContact CB-CD2 4.14Å; A183-F220 HydrophobicContact CB-CG 3.99Å
184L98.8Very high96.7Very high1 Ų115.9 Ų15.91%0.0059%0.091CC..Hα-helixtrans-59.5-56.2172.516873000111.9L21 I64 L175 T180 L181 Y182 F186 A187 L188 F194L21-L184 HydrophobicContact CD2-CD1 3.78Å; I64-L184 HydrophobicContact CB-CD2 4.43Å; I64-L184 HydrophobicContact CD1-CD1 3.75Å; I64-L184 HydrophobicContact CD1-CD2 3.99Å; I64-L184 HydrophobicContact CG1-CD1 4.21Å; I64-L184 HydrophobicContact CG1-CD2 3.59Å; I64-L184 HydrophobicContact CG2-CD1 4.32Å; I64-L184 HydrophobicContact CG2-CD2 4.18Å; L175-L184 HydrophobicContact CD2-CB 4.3Å; L175-L184 HydrophobicContact CD2-CD2 3.81Å; T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 PolarHBondContact O-N 3.37Å; L181-L184 HydrophobicContact CD1-CD2 4.18Å; L181-L184 PolarHBondContact O-N 2.85Å; Y182-L184 VanDerWaalsContact C-N 3.29Å; Y182-L184 PolarHBondContact O-N 2.57Å; L184-F186 VanDerWaalsContact C-N 3.26Å; L184-F186 PolarHBondContact O-N 3.28Å; L184-A187 PolarHBondContact O-N 2.77Å; L184-L188 HydrophobicContact CD1-CD1 3.82Å; L184-L188 HydrophobicContact CD1-CG 4.15Å; L184-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 2.86Å; L184-F194 HydrophobicContact CB-CD1 4.43Å; L184-F194 HydrophobicContact CB-CD2 3.94Å; L184-F194 HydrophobicContact CB-CE1 4.32Å; L184-F194 HydrophobicContact CB-CE2 3.81Å; L184-F194 HydrophobicContact CB-CG 4.23Å; L184-F194 HydrophobicContact CB-CZ 4.01Å; L184-F194 HydrophobicContact CD1-CB 3.95Å; L184-F194 HydrophobicContact CD1-CD1 3.51Å; L184-F194 HydrophobicContact CD1-CD2 4.19Å; L184-F194 HydrophobicContact CD1-CE1 4.01Å; L184-F194 HydrophobicContact CD1-CG 3.6Å
185L98.6Very high96.9Very high1 Ų113.7 Ų13.71%0.0058%0.077CC..Hα-helixtrans-67.5-33.5-176.3-66.2-165.7000111.1I4 Y67 L68 L129 W151 F155 L181 Y182 L188 S189I4-L185 HydrophobicContact CG2-CB 4.46Å; Y67-L185 HydrophobicContact CD1-CD2 4.45Å; Y67-L185 HydrophobicContact CE1-CD1 3.79Å; Y67-L185 HydrophobicContact CE1-CD2 4.01Å; Y67-L185 HydrophobicContact CE1-CG 4.46Å; L68-L185 HydrophobicContact CD2-CD2 4.37Å; L129-L185 HydrophobicContact CD1-CD1 4.33Å; L129-L185 HydrophobicContact CD2-CD1 3.92Å; L129-L185 HydrophobicContact CG-CD1 4.37Å; W151-L185 HydrophobicContact CE3-CB 4.16Å; W151-L185 HydrophobicContact CE3-CD1 3.77Å; W151-L185 HydrophobicContact CE3-CG 4.37Å; W151-L185 HydrophobicContact CZ3-CB 3.98Å; W151-L185 HydrophobicContact CZ3-CD1 3.46Å; W151-L185 VanDerWaalsContact CZ3-CD1 3.46Å; W151-L185 HydrophobicContact CZ3-CG 3.86Å; F155-L185 HydrophobicContact CZ-CB 3.96Å; L181-L185 PolarHBondContact O-N 3.34Å; Y182-L185 PolarHBondContact O-N 3.04Å; L185-L188 PolarHBondContact O-N 3.12Å; L185-S189 WeakPolarHBondContact O-CB 3.48Å; L185-S189 PolarHBondContact O-N 2.93Å; L185-S189 PolarHBondContact O-OG 3.06Å
186F98.5Very high97Very high4 Ų413.1 Ų13.12%0.0188%0.075CC..Hα-helixtrans-63-44.4173.6-172.9-153.4000111.9F155 N158 E159 M162 I169 Y182 L184 S189 S190 F220F155-F186 HydrophobicContact CB-CD2 3.67Å; F155-F186 HydrophobicContact CB-CE2 3.73Å; F155-F186 HydrophobicContact CD1-CB 3.55Å; F155-F186 AromaticContact CD1-CD2 3.53Å; F155-F186 HydrophobicContact CD1-CD2 3.53Å; F155-F186 HydrophobicContact CD1-CE2 4.37Å; F155-F186 AromaticContact CD1-CG 3.63Å; F155-F186 HydrophobicContact CD1-CG 3.63Å; F155-F186 HydrophobicContact CD2-CD2 4.26Å; F155-F186 HydrophobicContact CE1-CB 3.46Å; F155-F186 VanDerWaalsContact CE1-CB 3.46Å; F155-F186 HydrophobicContact CE1-CD2 4.27Å; F155-F186 HydrophobicContact CE1-CG 4.09Å; F155-F186 HydrophobicContact CG-CB 4.35Å; F155-F186 AromaticContact CG-CD2 3.56Å; F155-F186 HydrophobicContact CG-CD2 3.56Å; F155-F186 HydrophobicContact CG-CE2 4.17Å; F155-F186 HydrophobicContact CG-CG 4.16Å; F155-F186 HydrophobicContact CZ-CB 4.15Å; N158-F186 HydrophobicContact CB-CE1 3.96Å; N158-F186 HydrophobicContact CB-CZ 4.33Å; E159-F186 HydrophobicContact CB-CZ 4.15Å; E159-F186 WeakPolarHBondContact OE2-CE2 3.32Å; E159-F186 VanDerWaalsContact OE2-CZ 3.26Å; E159-F186 WeakPolarHBondContact OE2-CZ 3.25Å; M162-F186 HydrophobicContact CE-CE1 3.55Å; M162-F186 HydrophobicContact CE-CE2 4.34Å; M162-F186 HydrophobicContact CE-CZ 3.33Å; M162-F186 HydrophobicContact SD-CE1 4.11Å; M162-F186 HydrophobicContact SD-CZ 4.47Å; I169-F186 HydrophobicContact CD1-CB 4.38Å; I169-F186 HydrophobicContact CD1-CD1 3.5Å; I169-F186 HydrophobicContact CD1-CE1 3.93Å; I169-F186 HydrophobicContact CD1-CG 4Å; Y182-F186 HydrophobicContact CE1-CB 4.4Å; Y182-F186 HydrophobicContact CE1-CD1 4.16Å; Y182-F186 VanDerWaalsContact O-CB 3.26Å; Y182-F186 WeakPolarHBondContact O-CB 3.28Å; Y182-F186 PolarHBondContact O-N 3.45Å; L184-F186 VanDerWaalsContact C-N 3.26Å; L184-F186 PolarHBondContact O-N 3.28Å; F186-S189 PolarHBondContact O-OG 2.96Å; F186-S189 VanDerWaalsContact O-OG 3.09Å; F186-S190 WeakPolarHBondContact O-CB 3.44Å; F186-S190 PolarHBondContact O-N 3.38Å; F186-S190 VanDerWaalsContact O-N 3.08Å; F186-S190 PolarHBondContact O-OG 3.34Å; F186-F220 HydrophobicContact CD1-CZ 4.21Å; F186-F220 HydrophobicContact CE1-CZ 4.34Å
187A98.6Very high97.3Very high0 Ų012.6 Ų12.60%07%0.071CC..Hα-helixtrans-60.3-51.9176.400000110.6I169 A183 L184 S189 S190 G191 R192 F194I169-A187 HydrophobicContact CB-CB 3.95Å; I169-A187 HydrophobicContact CD1-CB 4.15Å; I169-A187 HydrophobicContact CG1-CB 4.28Å; A183-A187 VanDerWaalsContact O-CB 3.3Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.83Å; L184-A187 PolarHBondContact O-N 2.77Å; A187-S189 PolarHBondContact O-N 2.86Å; A187-S190 CarbonylContact O-C 3.6Å; A187-S190 PolarHBondContact O-N 3.3Å; A187-S190 PolarHBondContact O-OG 2.93Å; A187-G191 PolarHBondContact O-N 3.23Å; A187-R192 CarbonylContact C-O 3.56Å; A187-R192 HydrophobicContact CB-CB 4.34Å; A187-R192 PolarHBondContact O-N 3.32Å; A187-F194 HydrophobicContact CB-CB 3.87Å; A187-F194 HydrophobicContact CB-CD2 4.31Å
188L98.5Very high97.5Very high1 Ų111.5 Ų11.51%0.0057%0.07CC..Hα-helixtrans-65.4-41.2-176.8-68.1-176.5000112.9L8 H11 A20 L21 Y30 L33 L68 L184 L185 S190 G191L8-L188 HydrophobicContact CD1-CB 4.25Å; L8-L188 HydrophobicContact CD1-CD2 4.38Å; H11-L188 PolarHBondContact CD2-O 2.78Å; A20-L188 HydrophobicContact CB-CD2 4.1Å; L21-L188 HydrophobicContact CD2-CD1 4.47Å; L21-L188 HydrophobicContact CD2-CD2 4.04Å; Y30-L188 HydrophobicContact CE1-CD2 4.18Å; L33-L188 HydrophobicContact CD2-CD1 4.36Å; L33-L188 HydrophobicContact CD2-CD2 4.14Å; L68-L188 HydrophobicContact CD1-CD1 4.11Å; L184-L188 HydrophobicContact CD1-CD1 3.82Å; L184-L188 HydrophobicContact CD1-CG 4.15Å; L184-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 2.86Å; L185-L188 PolarHBondContact O-N 3.12Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.81Å; L188-G191 PolarHBondContact O-N 3Å
189S97.5Very high97.5Very high8 Ų814 Ų146%0.0568%0.084CC..Hα-helixtrans-67.6-33.2179.471.10000112.5Q7 H11 L185 F186 A187 G191Q7-S189 WeakPolarHBondContact CB-O 3.27Å; H11-S189 PolarHBondContact CD2-O 3.18Å; H11-S189 PolarHBondContact NE2-O 3.12Å; L185-S189 WeakPolarHBondContact O-CB 3.48Å; L185-S189 PolarHBondContact O-N 2.93Å; L185-S189 PolarHBondContact O-OG 3.06Å; F186-S189 PolarHBondContact O-OG 2.96Å; F186-S189 VanDerWaalsContact O-OG 3.09Å; A187-S189 PolarHBondContact O-N 2.86Å; S189-G191 VanDerWaalsContact C-N 3.34Å
190S97Very high97.6Very high33 Ų3315 Ų1523%0.2319%0.087CC..Hα-helixtrans-88.4-0.6175.162.30000114F186 A187 L188 R192F186-S190 WeakPolarHBondContact O-CB 3.44Å; F186-S190 PolarHBondContact O-N 3.38Å; F186-S190 VanDerWaalsContact O-N 3.08Å; F186-S190 PolarHBondContact O-OG 3.34Å; A187-S190 CarbonylContact O-C 3.6Å; A187-S190 PolarHBondContact O-N 3.3Å; A187-S190 PolarHBondContact O-OG 2.93Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.81Å; S190-R192 VanDerWaalsContact C-N 3.29Å; S190-R192 PolarHBondContact O-N 3.03Å; S190-R192 WeakPolarHBondContact OG-CD 3.34Å; S190-R192 WeakPolarHBondContact OG-CG 2.87Å; S190-R192 PolarHBondContact OG-NH1 2.79Å
191G97Very high97.6Very high8 Ų818.3 Ų18.38%0.08210%0.102CC..THydrogen-bonded Turntrans74.419.1179.300000113.7H11 K15 Y30 A187 L188 S189H11-G191 VanDerWaalsContact CD2-CA 3.45Å; H11-G191 WeakPolarHBondContact CD2-CA 3.33Å; H11-G191 PolarHBondContact CD2-N 2.8Å; H11-G191 VanDerWaalsContact CD2-N 3.34Å; H11-G191 VanDerWaalsContact CG-CA 3.47Å; H11-G191 PolarHBondContact NE2-N 2.79Å; K15-G191 WeakPolarHBondContact CE-O 3.3Å; K15-G191 VanDerWaalsContact NZ-C 3.28Å; K15-G191 VanDerWaalsContact NZ-CA 3.3Å; K15-G191 PolarHBondContact NZ-O 2.96Å; Y30-G191 WeakPolarHBondContact OH-CA 3.34Å; Y30-G191 PolarHBondContact OH-O 2.83Å; A187-G191 PolarHBondContact O-N 3.23Å; L188-G191 PolarHBondContact O-N 3Å; S189-G191 VanDerWaalsContact C-N 3.34Å
192R97.3Very high97.6Very high24 Ų2419.3 Ų19.39%0.09111%0.109CC..PPolyproline II helixtrans-89.1155.9176.2-64.5178.8175.2104-3110.7Y30 E159 M162 E166 N167 A187 S190 F194Y30-R192 PolarHBondContact OH-N 3.32Å; Y30-R192 PolarHBondContact OH-O 2.85Å; E159-R192 IonicContact OE1-CZ 3.49Å; E159-R192 IonicContact OE1-NH1 2.64Å; E159-R192 IonicContact OE1-NH2 3.01Å; E159-R192 PolarHBondContact OE1-NH2 2.6Å; E159-R192 IonicContact OE2-CZ 3Å; E159-R192 IonicContact OE2-NH1 2.76Å; E159-R192 PolarHBondContact OE2-NH1 3.17Å; E159-R192 IonicContact OE2-NH2 3.66Å; E159-R192 PolarHBondContact OE2-NH2 3.26Å; M162-R192 VanDerWaalsContact CE-NH1 3.26Å; E166-R192 PolarHBondContact O-NE 3.4Å; N167-R192 VanDerWaalsContact O-CA 3.31Å; N167-R192 WeakPolarHBondContact O-CA 3.49Å; N167-R192 VanDerWaalsContact O-CB 3.27Å; N167-R192 WeakPolarHBondContact O-CB 3.45Å; A187-R192 CarbonylContact C-O 3.56Å; A187-R192 HydrophobicContact CB-CB 4.34Å; A187-R192 PolarHBondContact O-N 3.32Å; S190-R192 VanDerWaalsContact C-N 3.29Å; S190-R192 PolarHBondContact O-N 3.03Å; S190-R192 WeakPolarHBondContact OG-CD 3.34Å; S190-R192 WeakPolarHBondContact OG-CG 2.87Å; S190-R192 PolarHBondContact OG-NH1 2.79Å; R192-F194 PolarHBondContact O-N 3.41Å
193T97.8Very high97.5Very high6 Ų624 Ų244%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-69.9132.9169.7-57.10000110.4I19 H22 N167 A168 I169 I195 Y215I19-T193 HydrophobicContact CB-CG2 4.23Å; I19-T193 HydrophobicContact CG2-CG2 3.69Å; I19-T193 WeakPolarHBondContact O-CB 3.22Å; I19-T193 PolarHBondContact O-OG1 2.88Å; H22-T193 HydrophobicContact CB-CG2 4.38Å; N167-T193 PolarHBondContact O-N 3.13Å; N167-T193 VanDerWaalsContact O-N 3.08Å; A168-T193 CarbonylContact C-O 3.49Å; A168-T193 VanDerWaalsContact CA-O 3.26Å; A168-T193 WeakPolarHBondContact CA-O 3.45Å; I169-T193 PolarHBondContact N-O 3.26Å; T193-I195 HydrophobicContact CG2-CG1 4.33Å; T193-Y215 HydrophobicContact CG2-CE2 3.68Å; T193-Y215 WeakPolarHBondContact OG1-CE2 3.36Å; T193-Y215 PolarHBondContact OG1-OH 2.84Å
194F98.5Very high97.3Very high2 Ų229.6 Ų29.61%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-90.1127.5165.7179.5-106000110.8A20 L21 H22 I23 I169 A171 T180 A183 L184 A187 R192A20-F194 PolarHBondContact O-N 3.06Å; L21-F194 CarbonylContact C-O 3.6Å; L21-F194 WeakPolarHBondContact CA-O 3.33Å; L21-F194 HydrophobicContact CD2-CB 3.95Å; L21-F194 HydrophobicContact CD2-CD1 4.18Å; H22-F194 PolarHBondContact N-O 3.33Å; I23-F194 HydrophobicContact CD1-CD1 4.27Å; I23-F194 HydrophobicContact CD1-CE1 4.17Å; I169-F194 CarbonylContact O-C 3.58Å; I169-F194 WeakPolarHBondContact O-CA 3.1Å; A171-F194 HydrophobicContact CB-CE2 3.87Å; A171-F194 HydrophobicContact CB-CZ 4.24Å; T180-F194 HydrophobicContact CG2-CZ 4.09Å; A183-F194 HydrophobicContact CB-CE2 4.31Å; L184-F194 HydrophobicContact CB-CD1 4.43Å; L184-F194 HydrophobicContact CB-CD2 3.94Å; L184-F194 HydrophobicContact CB-CE1 4.32Å; L184-F194 HydrophobicContact CB-CE2 3.81Å; L184-F194 HydrophobicContact CB-CG 4.23Å; L184-F194 HydrophobicContact CB-CZ 4.01Å; L184-F194 HydrophobicContact CD1-CB 3.95Å; L184-F194 HydrophobicContact CD1-CD1 3.51Å; L184-F194 HydrophobicContact CD1-CD2 4.19Å; L184-F194 HydrophobicContact CD1-CE1 4.01Å; L184-F194 HydrophobicContact CD1-CG 3.6Å; A187-F194 HydrophobicContact CB-CB 3.87Å; A187-F194 HydrophobicContact CB-CD2 4.31Å; R192-F194 PolarHBondContact O-N 3.41Å
195I98.2Very high97.2Very high0 Ų029.5 Ų29.50%016%0.155CC..EExtended strand (participates in β ladder)trans-108.5121.7173.7-53.2174.7000109.1H22 A168 I169 A170 A171 T193 L205 Q208 Y215 V217H22-I195 HydrophobicContact CB-CG1 4.42Å; H22-I195 VanDerWaalsContact O-CA 3.29Å; H22-I195 WeakPolarHBondContact O-CA 3.37Å; A168-I195 HydrophobicContact CB-CD1 4.21Å; I169-I195 PolarHBondContact O-N 2.84Å; A170-I195 CarbonylContact C-O 3.59Å; A170-I195 VanDerWaalsContact CA-O 3.27Å; A170-I195 WeakPolarHBondContact CA-O 3.28Å; A170-I195 HydrophobicContact CB-CB 3.9Å; A170-I195 HydrophobicContact CB-CG2 4.43Å; A171-I195 PolarHBondContact N-O 2.54Å; T193-I195 HydrophobicContact CG2-CG1 4.33Å; I195-L205 HydrophobicContact CG2-CD1 4Å; I195-Q208 HydrophobicContact CG2-CB 4.17Å; I195-Y215 HydrophobicContact CD1-CD2 4.28Å; I195-V217 HydrophobicContact CD1-CG1 4.35Å; I195-V217 HydrophobicContact CD1-CG2 4.11Å
196G98.1Very high96.9Very high2 Ų229.7 Ų29.72%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-132.4175.1-17800000113.2H22 I23 D24 Q208H22-G196 PolarHBondContact O-N 3.17Å; I23-G196 WeakPolarHBondContact CA-O 3.23Å; D24-G196 PolarHBondContact N-O 3.06Å; G196-Q208 PolarHBondContact O-NE2 2.95Å
197Q97.8Very high96.5Very high4 Ų433.7 Ų33.72%0.01918%0.177CC..  trans-143.3147.4173.5-62.6-171.9-55.400110.1D24 P172 T199 H201 L205D24-Q197 WeakPolarHBondContact OD1-CA 3.45Å; P172-Q197 HydrophobicContact CB-CB 4.17Å; P172-Q197 HydrophobicContact CB-CG 4.05Å; Q197-T199 VanDerWaalsContact C-N 3.34Å; Q197-H201 PolarHBondContact NE2-O 2.88Å; Q197-H201 VanDerWaalsContact NE2-O 3.13Å; Q197-H201 PolarHBondContact OE1-O 3.15Å; Q197-L205 HydrophobicContact CG-CD1 4.47Å; Q197-L205 VanDerWaalsContact NE2-N 3.19Å
198T95.5Very high96.2Very high63 Ų6334 Ų3439%0.38718%0.179SC..SBendtrans-69.6-36.7170.4-57.80000111.4D24 P60D24-T198 PolarHBondContact OD1-N 3.19Å; D24-T198 WeakPolarHBondContact OD2-CB 3.22Å; D24-T198 PolarHBondContact OD2-N 2.97Å; D24-T198 PolarHBondContact OD2-OG1 3.08Å; P60-T198 WeakPolarHBondContact CD-OG1 3.24Å
199T94.1Very high95.9Very high91 Ų9134 Ų3456%0.55818%0.178SC*.SBendtrans-140.2128173.1-65.20000108.5Q197 H201Q197-T199 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.1Å
200F96.4Very high95.2Very high52 Ų5237 Ų3723%0.22819%0.192CC..  trans-56.7124.6-178.5172.3-115.9000111.5P172 P202 L205 M225 L229P172-F200 HydrophobicContact CB-CD2 3.73Å; P172-F200 HydrophobicContact CG-CD2 3.53Å; P172-F200 HydrophobicContact CG-CE2 3.97Å; P172-F200 HydrophobicContact CG-CG 4.48Å; F200-P202 HydrophobicContact CE2-CB 4.45Å; F200-P202 HydrophobicContact CZ-CB 3.97Å; F200-L205 HydrophobicContact CE2-CD2 4.17Å; F200-M225 HydrophobicContact CB-CE 4.32Å; F200-M225 HydrophobicContact CD1-CG 3.94Å; F200-M225 HydrophobicContact CD2-CG 4.29Å; F200-M225 HydrophobicContact CE1-CB 3.99Å; F200-M225 HydrophobicContact CE1-CG 3.77Å; F200-M225 HydrophobicContact CE2-CB 4.14Å; F200-M225 HydrophobicContact CE2-CG 4.13Å; F200-M225 HydrophobicContact CG-CE 4.31Å; F200-M225 HydrophobicContact CG-CG 4.18Å; F200-M225 HydrophobicContact CZ-CB 3.7Å; F200-M225 HydrophobicContact CZ-CG 3.86Å; F200-L229 HydrophobicContact CZ-CG 4.26Å
201H97.9Very high94.5Very high75 Ų7542.2 Ų42.235%0.34721%0.21SC..  trans-141.3114.1171.9-171.4-57000108.8Q197 T199 E203 K204 L205Q197-H201 PolarHBondContact NE2-O 2.88Å; Q197-H201 VanDerWaalsContact NE2-O 3.13Å; Q197-H201 PolarHBondContact OE1-O 3.15Å; T199-H201 PolarHBondContact O-N 3.1Å; H201-E203 PolarHBondContact O-N 3.11Å; H201-K204 HydrophobicContact CB-CB 4.08Å; H201-K204 HydrophobicContact CB-CD 4.09Å; H201-K204 HydrophobicContact CB-CG 4.15Å; H201-K204 PolarHBondContact ND1-N 2.9Å; H201-K204 PolarHBondContact O-N 3.09Å; H201-L205 PolarHBondContact O-N 3.1Å
202P96.7Very high93.5Very high25 Ų2543 Ų4316%0.16221%0.212CC..Hα-helixtrans-62.1-46.8-167.624-34.7000112.6F200 K204 L205 L206 L229 V232F200-P202 HydrophobicContact CE2-CB 4.45Å; F200-P202 HydrophobicContact CZ-CB 3.97Å; P202-K204 PolarHBondContact O-N 2.96Å; P202-L205 WeakPolarHBondContact O-CB 3.38Å; P202-L205 PolarHBondContact O-N 3.43Å; P202-L205 VanDerWaalsContact O-N 3.15Å; P202-L206 WeakPolarHBondContact O-CG 3.44Å; P202-L206 PolarHBondContact O-N 3.43Å; P202-L229 HydrophobicContact CB-CD2 3.74Å; P202-L229 HydrophobicContact CB-CG 4.2Å; P202-V232 HydrophobicContact CB-CG2 3.88Å; P202-V232 HydrophobicContact CG-CG2 4.37Å
203E95.7Very high91.8Very high104 Ų10447 Ų4749%0.48624%0.244SC..Hα-helixtrans-62.8-40.4179-62.3175.5-168.100112.7H201 L205 L206 N207 V232H201-E203 PolarHBondContact O-N 3.11Å; E203-L205 VanDerWaalsContact C-N 3.3Å; E203-L205 PolarHBondContact O-N 3.07Å; E203-L206 PolarHBondContact O-N 3.05Å; E203-N207 WeakPolarHBondContact O-CB 3.32Å; E203-N207 PolarHBondContact O-N 2.88Å; E203-N207 PolarHBondContact O-ND2 3.36Å; E203-V232 HydrophobicContact CG-CB 4Å; E203-V232 HydrophobicContact CG-CG1 3.78Å; E203-V232 HydrophobicContact CG-CG2 4.08Å
204K95.4Very high91Very high117 Ų11750.7 Ų50.751%0.50927%0.27SS..Hα-helixtrans-64.4-38.9176.2-68.6-173.2179.8-172.40110.7H201 P202 N207 Q208H201-K204 HydrophobicContact CB-CB 4.08Å; H201-K204 HydrophobicContact CB-CD 4.09Å; H201-K204 HydrophobicContact CB-CG 4.15Å; H201-K204 PolarHBondContact ND1-N 2.9Å; H201-K204 PolarHBondContact O-N 3.09Å; P202-K204 PolarHBondContact O-N 2.96Å; K204-N207 PolarHBondContact O-N 3.49Å; K204-Q208 WeakPolarHBondContact O-CB 3.33Å; K204-Q208 VanDerWaalsContact O-CG 3.23Å; K204-Q208 WeakPolarHBondContact O-CG 3.25Å; K204-Q208 PolarHBondContact O-N 2.86Å; K204-Q208 PolarHBondContact O-OE1 2.92Å
205L95.4Very high90.4Very high0 Ų051.5 Ų51.50%027%0.273CS..Hα-helixtrans-64.9-46.1178.8-177.263.2000111.6A170 P172 I195 Q197 F200 H201 P202 E203 N207 Q208 C209 M219 L229A170-L205 HydrophobicContact CB-CD1 4.34Å; P172-L205 HydrophobicContact CB-CD1 4.32Å; P172-L205 HydrophobicContact CB-CD2 4.08Å; P172-L205 HydrophobicContact CG-CD2 3.8Å; I195-L205 HydrophobicContact CG2-CD1 4Å; Q197-L205 HydrophobicContact CG-CD1 4.47Å; Q197-L205 VanDerWaalsContact NE2-N 3.19Å; F200-L205 HydrophobicContact CE2-CD2 4.17Å; H201-L205 PolarHBondContact O-N 3.1Å; P202-L205 WeakPolarHBondContact O-CB 3.38Å; P202-L205 PolarHBondContact O-N 3.43Å; P202-L205 VanDerWaalsContact O-N 3.15Å; E203-L205 VanDerWaalsContact C-N 3.3Å; E203-L205 PolarHBondContact O-N 3.07Å; L205-N207 VanDerWaalsContact C-N 3.34Å; L205-Q208 WeakPolarHBondContact O-CB 3.26Å; L205-Q208 PolarHBondContact O-N 3.21Å; L205-C209 PolarHBondContact O-N 3.4Å; L205-C209 PolarHBondContact O-SG 3.18Å; L205-M219 HydrophobicContact CD2-CE 4.22Å; L205-M219 HydrophobicContact CD2-SD 3.93Å; L205-M219 HydrophobicContact CG-CE 4.22Å; L205-L229 HydrophobicContact CD2-CD1 4.45Å; L205-L229 HydrophobicContact CD2-CD2 4.19Å
206L92.9Very high90.3Very high5 Ų554.5 Ų54.53%0.02629%0.286CS..Hα-helixtrans-60.7-45.7174.8-62.3-178.4000110.4P202 E203 Q208 C209 H210 M219 L229 V232 Y233 E236 I239P202-L206 WeakPolarHBondContact O-CG 3.44Å; P202-L206 PolarHBondContact O-N 3.43Å; E203-L206 PolarHBondContact O-N 3.05Å; L206-Q208 PolarHBondContact O-N 2.78Å; L206-C209 WeakPolarHBondContact O-CB 2.97Å; L206-C209 PolarHBondContact O-N 3.04Å; L206-C209 VanDerWaalsContact O-N 3.12Å; L206-H210 PolarHBondContact O-CD2 2.97Å; L206-H210 PolarHBondContact O-N 3.33Å; L206-M219 HydrophobicContact CD2-CE 4.07Å; L206-L229 HydrophobicContact CD1-CD2 4.48Å; L206-L229 HydrophobicContact CD2-CD2 3.85Å; L206-L229 HydrophobicContact CG-CD2 3.96Å; L206-V232 HydrophobicContact CD1-CG2 3.79Å; L206-Y233 HydrophobicContact CD2-CD2 4.5Å; L206-E236 WeakPolarHBondContact CD2-OE2 3.38Å; L206-I239 HydrophobicContact CD2-CG1 4.42Å
207N91.2Very high90.2Very high87 Ų8754.4 Ų54.447%0.46529%0.285SS..Hα-helixtrans-60.3-40175.9-72.9-26.2000113.4E203 K204 L205 C209 H210 K211E203-N207 WeakPolarHBondContact O-CB 3.32Å; E203-N207 PolarHBondContact O-N 2.88Å; E203-N207 PolarHBondContact O-ND2 3.36Å; K204-N207 PolarHBondContact O-N 3.49Å; L205-N207 VanDerWaalsContact C-N 3.34Å; N207-C209 VanDerWaalsContact C-N 3.32Å; N207-H210 PolarHBondContact O-N 3.21Å; N207-K211 WeakPolarHBondContact O-CG 3.48Å; N207-K211 PolarHBondContact O-N 2.89Å
208Q92.2Very high90.2Very high7 Ų754.2 Ų54.23%0.03328%0.284CS..Hα-helixtrans-61.2-41.4174.4-77.1171.8-80.100111.2D24 I195 G196 K204 L205 L206D24-Q208 PolarHBondContact O-NE2 3.05Å; I195-Q208 HydrophobicContact CG2-CB 4.17Å; G196-Q208 PolarHBondContact O-NE2 2.95Å; K204-Q208 WeakPolarHBondContact O-CB 3.33Å; K204-Q208 VanDerWaalsContact O-CG 3.23Å; K204-Q208 WeakPolarHBondContact O-CG 3.25Å; K204-Q208 PolarHBondContact O-N 2.86Å; K204-Q208 PolarHBondContact O-OE1 2.92Å; L205-Q208 WeakPolarHBondContact O-CB 3.26Å; L205-Q208 PolarHBondContact O-N 3.21Å; L206-Q208 PolarHBondContact O-N 2.78Å
209C90.5Very high90.3Very high0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-64.9-40.7175.5-61.30000111.5L205 L206 N207 V217 T238 I239L205-C209 PolarHBondContact O-N 3.4Å; L205-C209 PolarHBondContact O-SG 3.18Å; L206-C209 WeakPolarHBondContact O-CB 2.97Å; L206-C209 PolarHBondContact O-N 3.04Å; L206-C209 VanDerWaalsContact O-N 3.12Å; N207-C209 VanDerWaalsContact C-N 3.32Å; C209-V217 HydrophobicContact CB-CG2 4.17Å; C209-T238 HydrophobicContact CB-CG2 4Å; C209-T238 WeakPolarHBondContact O-CG2 3.49Å; C209-I239 HydrophobicContact CB-CD1 3.65Å
210H84.2Confident90.5Very high73 Ų7347 Ų4734%0.33824%0.24SC..Hα-helixtrans-70-39.1179.1-73.3-59.2000115L206 N207 I212 S213 E236L206-H210 PolarHBondContact O-CD2 2.97Å; L206-H210 PolarHBondContact O-N 3.33Å; N207-H210 PolarHBondContact O-N 3.21Å; H210-I212 PolarHBondContact O-N 3.43Å; H210-S213 PolarHBondContact O-N 2.96Å; H210-E236 IonicContact CD2-OE1 3.67Å; H210-E236 IonicContact CD2-OE2 3.63Å; H210-E236 IonicContact CE1-OE1 2.89Å; H210-E236 IonicContact CE1-OE2 2.71Å; H210-E236 PolarHBondContact CE1-OE2 3.23Å; H210-E236 IonicContact NE2-OE1 3.62Å; H210-E236 PolarHBondContact NE2-OE1 3Å; H210-E236 IonicContact NE2-OE2 3.41Å; H210-E236 PolarHBondContact NE2-OE2 3.25Å
211K81.7Confident90.6Very high142 Ų14244.5 Ų44.562%0.61723%0.229SC*.Hα-helixtrans-55.2-22.7-179.9-81.6178.2-179.4-179.20111.6D25 N207D25-K211 IonicContact OD1-NZ 3.46Å; N207-K211 WeakPolarHBondContact O-CG 3.48Å; N207-K211 PolarHBondContact O-N 2.89Å
212I75.3Confident90.3Very high23 Ų2343 Ų4312%0.11823%0.225CC..SBendtrans-11266.6176.6-36172.1000109.8I19 H22 H210 S214 Y215I19-I212 HydrophobicContact CD1-CD1 3.98Å; I19-I212 HydrophobicContact CD1-CG1 4.47Å; I19-I212 HydrophobicContact CD1-CG2 4.18Å; H22-I212 HydrophobicContact CB-CD1 4.05Å; H210-I212 PolarHBondContact O-N 3.43Å; I212-S214 PolarHBondContact O-N 2.89Å; I212-Y215 HydrophobicContact CB-CD1 4.11Å; I212-Y215 HydrophobicContact CB-CD2 3.76Å; I212-Y215 HydrophobicContact CB-CE1 4.22Å; I212-Y215 HydrophobicContact CB-CE2 3.89Å; I212-Y215 HydrophobicContact CB-CG 3.89Å; I212-Y215 HydrophobicContact CD1-CD2 3.96Å; I212-Y215 HydrophobicContact CD1-CE2 3.49Å; I212-Y215 VanDerWaalsContact CD1-CE2 3.49Å; I212-Y215 HydrophobicContact CG1-CD2 4.44Å; I212-Y215 HydrophobicContact CG1-CE2 4.28Å; I212-Y215 HydrophobicContact CG2-CD1 3.5Å; I212-Y215 VanDerWaalsContact CG2-CD1 3.5Å; I212-Y215 HydrophobicContact CG2-CD2 3.86Å; I212-Y215 HydrophobicContact CG2-CE1 3.24Å; I212-Y215 HydrophobicContact CG2-CE2 3.65Å; I212-Y215 HydrophobicContact CG2-CG 3.81Å; I212-Y215 VanDerWaalsContact O-CB 3.24Å; I212-Y215 WeakPolarHBondContact O-CB 3.27Å; I212-Y215 PolarHBondContact O-N 2.74Å
213S63Low90Very high109 Ų10942.8 Ų42.876%0.76222%0.223SC*.THydrogen-bonded Turntrans-52.1-17.8-168.6600000117.8H210 Y215H210-S213 PolarHBondContact O-N 2.96Å; S213-Y215 VanDerWaalsContact C-N 3.25Å; S213-Y215 PolarHBondContact O-N 3.03Å
214S79.9Confident89.8Confident84 Ų8442.5 Ų42.559%0.58723%0.229SC*.THydrogen-bonded Turntrans-81.5-1.7174.657.20000113.6N167 I212N167-S214 PolarHBondContact ND2-O 3.07Å; I212-S214 PolarHBondContact O-N 2.89Å
215Y86.6Confident89.8Confident19 Ų1938.1 Ų38.18%0.07521%0.211CC..  trans-84.9144.2-170-76.114.2000112.8I19 N167 A168 T193 I195 I212 S213 T238I19-Y215 WeakPolarHBondContact CB-OH 3.18Å; N167-Y215 WeakPolarHBondContact OD1-CA 3.36Å; A168-Y215 HydrophobicContact CB-CD2 3.52Å; A168-Y215 HydrophobicContact CB-CE2 3.99Å; A168-Y215 HydrophobicContact CB-CG 4.09Å; T193-Y215 HydrophobicContact CG2-CE2 3.68Å; T193-Y215 WeakPolarHBondContact OG1-CE2 3.36Å; T193-Y215 PolarHBondContact OG1-OH 2.84Å; I195-Y215 HydrophobicContact CD1-CD2 4.28Å; I212-Y215 HydrophobicContact CB-CD1 4.11Å; I212-Y215 HydrophobicContact CB-CD2 3.76Å; I212-Y215 HydrophobicContact CB-CE1 4.22Å; I212-Y215 HydrophobicContact CB-CE2 3.89Å; I212-Y215 HydrophobicContact CB-CG 3.89Å; I212-Y215 HydrophobicContact CD1-CD2 3.96Å; I212-Y215 HydrophobicContact CD1-CE2 3.49Å; I212-Y215 VanDerWaalsContact CD1-CE2 3.49Å; I212-Y215 HydrophobicContact CG1-CD2 4.44Å; I212-Y215 HydrophobicContact CG1-CE2 4.28Å; I212-Y215 HydrophobicContact CG2-CD1 3.5Å; I212-Y215 VanDerWaalsContact CG2-CD1 3.5Å; I212-Y215 HydrophobicContact CG2-CD2 3.86Å; I212-Y215 HydrophobicContact CG2-CE1 3.24Å; I212-Y215 HydrophobicContact CG2-CE2 3.65Å; I212-Y215 HydrophobicContact CG2-CG 3.81Å; I212-Y215 VanDerWaalsContact O-CB 3.24Å; I212-Y215 WeakPolarHBondContact O-CB 3.27Å; I212-Y215 PolarHBondContact O-N 2.74Å; S213-Y215 VanDerWaalsContact C-N 3.25Å; S213-Y215 PolarHBondContact O-N 3.03Å; Y215-T238 WeakPolarHBondContact O-CG2 3.32Å
216K95.1Very high89.8Confident63 Ų6338.1 Ų38.127%0.27421%0.211SC..  trans-121.3108.2169.9-66.1-57177.8-165.30105.9N165 E166 N167 A168 H237 T238 Q240N165-K216 VanDerWaalsContact O-CB 3.3Å; N165-K216 WeakPolarHBondContact O-CB 3.03Å; E166-K216 CarbonylContact C-O 3.5Å; E166-K216 VanDerWaalsContact CA-O 3.22Å; E166-K216 WeakPolarHBondContact CA-O 3.46Å; E166-K216 HydrophobicContact CG-CB 4.43Å; N167-K216 PolarHBondContact N-O 2.97Å; N167-K216 PolarHBondContact OD1-N 2.84Å; N167-K216 PolarHBondContact OD1-O 3.43Å; A168-K216 PolarHBondContact N-O 2.84Å; K216-H237 PolarHBondContact NZ-O 2.8Å; K216-T238 WeakPolarHBondContact CA-O 3.19Å; K216-Q240 HydrophobicContact CB-CG 3.95Å; K216-Q240 HydrophobicContact CD-CG 3.81Å; K216-Q240 HydrophobicContact CG-CG 4.39Å
217V96.6Very high89.7Confident0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-106.9124.1-162.8-175.50000110.4A168 A170 I195 C209 M219 T238 I239 Q240 S241A168-V217 HydrophobicContact CB-CG2 4.04Å; A168-V217 WeakPolarHBondContact O-CA 3.37Å; A170-V217 HydrophobicContact CB-CG1 3.72Å; I195-V217 HydrophobicContact CD1-CG1 4.35Å; I195-V217 HydrophobicContact CD1-CG2 4.11Å; C209-V217 HydrophobicContact CB-CG2 4.17Å; V217-M219 HydrophobicContact CG1-CG 4.11Å; V217-T238 HydrophobicContact CG2-CG2 4.02Å; V217-T238 PolarHBondContact N-O 2.92Å; V217-I239 HydrophobicContact CB-CD1 3.92Å; V217-I239 HydrophobicContact CG1-CD1 4.37Å; V217-I239 HydrophobicContact CG2-CD1 4.26Å; V217-Q240 PolarHBondContact O-N 2.9Å; V217-S241 PolarHBondContact O-N 3.19Å
218A97.9Very high89.9Confident0 Ų041.4 Ų41.40%023%0.226CC..EExtended strand (participates in β ladder)trans-90.8126160.800000109.3M162 E166 A168 I169 A170 F243M162-A218 HydrophobicContact CG-CB 4.36Å; M162-A218 HydrophobicContact SD-CB 4.17Å; E166-A218 HydrophobicContact CG-CB 4.5Å; A168-A218 PolarHBondContact O-N 2.8Å; I169-A218 CarbonylContact C-O 3.55Å; I169-A218 WeakPolarHBondContact CA-O 3.41Å; A170-A218 PolarHBondContact N-O 2.75Å; A218-F243 HydrophobicContact CB-CD2 4.18Å; A218-F243 HydrophobicContact CB-CE2 4.02Å
219M97.9Very high90Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-104.9123.1177.8-53.4-159.8174.200112.2A170 L205 L206 V217 L221 L229 I239 S241 F242 F243A170-M219 HydrophobicContact CB-CB 4.43Å; A170-M219 HydrophobicContact CB-CG 4.05Å; A170-M219 CarbonylContact O-C 3.46Å; A170-M219 WeakPolarHBondContact O-CA 3.07Å; L205-M219 HydrophobicContact CD2-CE 4.22Å; L205-M219 HydrophobicContact CD2-SD 3.93Å; L205-M219 HydrophobicContact CG-CE 4.22Å; L206-M219 HydrophobicContact CD2-CE 4.07Å; V217-M219 HydrophobicContact CG1-CG 4.11Å; M219-L221 HydrophobicContact CB-CD1 3.64Å; M219-L221 HydrophobicContact CB-CD2 4.15Å; M219-L221 HydrophobicContact CB-CG 3.71Å; M219-L221 HydrophobicContact CG-CD1 4.48Å; M219-L221 HydrophobicContact SD-CD1 4.06Å; M219-L229 HydrophobicContact SD-CD1 3.95Å; M219-I239 HydrophobicContact CE-CD1 3.25Å; M219-I239 HydrophobicContact CE-CG1 3.75Å; M219-I239 HydrophobicContact CE-CG2 4Å; M219-I239 HydrophobicContact CG-CG2 4.1Å; M219-I239 HydrophobicContact SD-CG2 4.38Å; M219-S241 PolarHBondContact N-O 2.88Å; M219-F242 HydrophobicContact CB-CD1 3.98Å; M219-F242 HydrophobicContact CB-CE1 4.29Å; M219-F242 HydrophobicContact CG-CD1 4.22Å; M219-F242 HydrophobicContact CG-CE1 4.11Å; M219-F242 HydrophobicContact SD-CD1 4.46Å; M219-F242 HydrophobicContact SD-CE1 3.84Å; M219-F243 WeakPolarHBondContact O-CB 3.4Å; M219-F243 PolarHBondContact O-N 3.35Å
220F98.4Very high90.2Very high2 Ų241.3 Ų41.31%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-92.2112.6170.8-73.9-106.8000109.7I169 A170 A171 L179 Y182 A183 F186 F243 F269I169-F220 HydrophobicContact CD1-CE2 4.49Å; I169-F220 HydrophobicContact CG2-CD2 3.49Å; I169-F220 VanDerWaalsContact CG2-CD2 3.49Å; I169-F220 HydrophobicContact CG2-CE2 3.64Å; A170-F220 PolarHBondContact O-N 3.01Å; A171-F220 HydrophobicContact CB-CB 4.21Å; L179-F220 HydrophobicContact CD1-CB 4.08Å; L179-F220 HydrophobicContact CD1-CD1 3.91Å; L179-F220 HydrophobicContact CD1-CG 4.49Å; L179-F220 HydrophobicContact CG-CB 4.36Å; Y182-F220 HydrophobicContact CD1-CE1 4.26Å; Y182-F220 HydrophobicContact CE1-CD1 4.46Å; Y182-F220 AromaticContact CE1-CE1 3.79Å; Y182-F220 HydrophobicContact CE1-CE1 3.79Å; Y182-F220 HydrophobicContact CE1-CZ 4.26Å; A183-F220 HydrophobicContact CB-CB 4.06Å; A183-F220 HydrophobicContact CB-CD2 4.14Å; A183-F220 HydrophobicContact CB-CG 3.99Å; F186-F220 HydrophobicContact CD1-CZ 4.21Å; F186-F220 HydrophobicContact CE1-CZ 4.34Å; F220-F243 CarbonylContact C-O 3.51Å; F220-F243 WeakPolarHBondContact CA-O 3.15Å; F220-F243 HydrophobicContact CB-CB 4.41Å; F220-F243 HydrophobicContact CD1-CB 3.73Å; F220-F243 HydrophobicContact CD1-CD1 4.47Å; F220-F243 HydrophobicContact CD1-CG 4.21Å; F220-F243 HydrophobicContact CD2-CB 4.11Å; F220-F243 HydrophobicContact CD2-CD2 4.39Å; F220-F243 HydrophobicContact CD2-CG 4.32Å; F220-F243 HydrophobicContact CE1-CB 3.93Å; F220-F243 AromaticContact CE1-CD1 3.81Å; F220-F243 HydrophobicContact CE1-CD1 3.81Å; F220-F243 HydrophobicContact CE1-CE1 4.49Å; F220-F243 AromaticContact CE1-CG 3.88Å; F220-F243 HydrophobicContact CE1-CG 3.88Å; F220-F243 HydrophobicContact CE2-CB 4.29Å; F220-F243 AromaticContact CE2-CD2 3.97Å; F220-F243 HydrophobicContact CE2-CD2 3.97Å; F220-F243 HydrophobicContact CE2-CE2 4.43Å; F220-F243 HydrophobicContact CE2-CG 4.02Å; F220-F243 HydrophobicContact CG-CB 3.83Å; F220-F243 HydrophobicContact CG-CG 4.42Å; F220-F243 HydrophobicContact CZ-CB 4.21Å; F220-F243 AromaticContact CZ-CD1 3.83Å; F220-F243 HydrophobicContact CZ-CD1 3.83Å; F220-F243 HydrophobicContact CZ-CD2 4.1Å; F220-F243 HydrophobicContact CZ-CE1 4.18Å; F220-F243 HydrophobicContact CZ-CE2 4.43Å; F220-F243 AromaticContact CZ-CG 3.78Å; F220-F243 HydrophobicContact CZ-CG 3.78Å; F220-F243 HydrophobicContact CZ-CZ 4.47Å; F220-F269 HydrophobicContact CD1-CE1 4.48Å; F220-F269 HydrophobicContact CD1-CZ 4.27Å
221L97.4Very high90.6Very high0 Ų043.6 Ų43.60%024%0.24CC..EExtended strand (participates in β ladder)trans-138.8164.4-163.5-59.8173.6000112.1P172 M219 M225 I226 L229 F242 F243 S244 S245P172-L221 HydrophobicContact CG-CD2 3.9Å; M219-L221 HydrophobicContact CB-CD1 3.64Å; M219-L221 HydrophobicContact CB-CD2 4.15Å; M219-L221 HydrophobicContact CB-CG 3.71Å; M219-L221 HydrophobicContact CG-CD1 4.48Å; M219-L221 HydrophobicContact SD-CD1 4.06Å; L221-M225 HydrophobicContact CB-CB 4.31Å; L221-M225 HydrophobicContact CD2-CB 4.09Å; L221-M225 HydrophobicContact CD2-SD 4.02Å; L221-I226 HydrophobicContact CB-CD1 4.28Å; L221-I226 HydrophobicContact CB-CG1 3.85Å; L221-I226 HydrophobicContact CD1-CG1 3.7Å; L221-I226 HydrophobicContact CG-CG1 4.46Å; L221-L229 HydrophobicContact CD1-CD1 3.52Å; L221-L229 HydrophobicContact CD2-CD1 4.21Å; L221-F242 HydrophobicContact CD1-CD1 3.87Å; L221-F242 HydrophobicContact CD1-CE1 4.03Å; L221-F242 HydrophobicContact CD1-CG 4.37Å; L221-F243 PolarHBondContact N-O 2.86Å; L221-S244 WeakPolarHBondContact O-CA 3.49Å; L221-S245 PolarHBondContact O-N 2.82Å
222V93.2Very high91.1Very high42 Ų4239.2 Ų39.226%0.25522%0.224SC..  trans-104157.7164.3-59.40000110.6L179 T224 M225 I226 S245L179-V222 HydrophobicContact CD2-CG1 4.23Å; V222-T224 WeakPolarHBondContact CG2-OG1 3.39Å; V222-T224 PolarHBondContact O-N 2.72Å; V222-T224 VanDerWaalsContact O-N 3.08Å; V222-M225 HydrophobicContact CG2-CB 4.31Å; V222-M225 HydrophobicContact CG2-CE 4.17Å; V222-M225 HydrophobicContact CG2-CG 3.7Å; V222-M225 HydrophobicContact CG2-SD 3.84Å; V222-M225 WeakPolarHBondContact O-CB 3.48Å; V222-M225 PolarHBondContact O-N 3.19Å; V222-I226 PolarHBondContact O-N 3.3Å; V222-S245 WeakPolarHBondContact CA-O 3.29Å; V222-S245 WeakPolarHBondContact CG1-O 3.43Å
223P90.4Very high91.9Very high21 Ų2139.2 Ų39.214%0.13622%0.223CC..Hα-helixtrans-49-38.1-178.1-36.239.1000116.1M225 I226 K227 S245 D247 L249P223-M225 VanDerWaalsContact C-N 3.35Å; P223-I226 PolarHBondContact O-N 3.42Å; P223-K227 PolarHBondContact O-N 2.96Å; P223-S245 VanDerWaalsContact CD-O 3.27Å; P223-S245 WeakPolarHBondContact CD-O 3Å; P223-D247 HydrophobicContact CG-CB 4.22Å; P223-D247 VanDerWaalsContact CG-O 3.28Å; P223-D247 WeakPolarHBondContact CG-O 3.47Å; P223-L249 HydrophobicContact CB-CD1 3.68Å; P223-L249 HydrophobicContact CG-CD1 4.03Å
224T90.4Very high92.9Very high98 Ų9840.4 Ų40.460%0.60122%0.221SC*.Hα-helixtrans-68.1-34179.453.50000112.5V222 S228V222-T224 WeakPolarHBondContact CG2-OG1 3.39Å; V222-T224 PolarHBondContact O-N 2.72Å; V222-T224 VanDerWaalsContact O-N 3.08Å; T224-S228 PolarHBondContact O-N 2.92Å; T224-S228 VanDerWaalsContact O-N 3.08Å; T224-S228 PolarHBondContact O-OG 3.3Å
225M95.2Very high92.5Very high26 Ų2641.3 Ų41.313%0.12822%0.219CC..Hα-helixtrans-68.6-44.8174-66.2174176.300110.6P172 F200 L221 V222 P223 K227 S228 L229P172-M225 HydrophobicContact CG-CE 4.4Å; P172-M225 HydrophobicContact CG-SD 3.9Å; F200-M225 HydrophobicContact CB-CE 4.32Å; F200-M225 HydrophobicContact CD1-CG 3.94Å; F200-M225 HydrophobicContact CD2-CG 4.29Å; F200-M225 HydrophobicContact CE1-CB 3.99Å; F200-M225 HydrophobicContact CE1-CG 3.77Å; F200-M225 HydrophobicContact CE2-CB 4.14Å; F200-M225 HydrophobicContact CE2-CG 4.13Å; F200-M225 HydrophobicContact CG-CE 4.31Å; F200-M225 HydrophobicContact CG-CG 4.18Å; F200-M225 HydrophobicContact CZ-CB 3.7Å; F200-M225 HydrophobicContact CZ-CG 3.86Å; L221-M225 HydrophobicContact CB-CB 4.31Å; L221-M225 HydrophobicContact CD2-CB 4.09Å; L221-M225 HydrophobicContact CD2-SD 4.02Å; V222-M225 HydrophobicContact CG2-CB 4.31Å; V222-M225 HydrophobicContact CG2-CE 4.17Å; V222-M225 HydrophobicContact CG2-CG 3.7Å; V222-M225 HydrophobicContact CG2-SD 3.84Å; V222-M225 WeakPolarHBondContact O-CB 3.48Å; V222-M225 PolarHBondContact O-N 3.19Å; P223-M225 VanDerWaalsContact C-N 3.35Å; M225-K227 VanDerWaalsContact C-N 3.34Å; M225-K227 PolarHBondContact O-N 3.35Å; M225-S228 WeakPolarHBondContact O-CB 3.18Å; M225-S228 PolarHBondContact O-N 3.33Å; M225-S228 VanDerWaalsContact O-N 3.1Å; M225-L229 WeakPolarHBondContact O-CG 3.36Å; M225-L229 PolarHBondContact O-N 3.01Å
226I95.2Very high91.9Very high0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-59.2-46.3176.1-63.6172.9000110.5L221 V222 P223 S228 L229 L230 F242 S244 L249 I253 I257L221-I226 HydrophobicContact CB-CD1 4.28Å; L221-I226 HydrophobicContact CB-CG1 3.85Å; L221-I226 HydrophobicContact CD1-CG1 3.7Å; L221-I226 HydrophobicContact CG-CG1 4.46Å; V222-I226 PolarHBondContact O-N 3.3Å; P223-I226 PolarHBondContact O-N 3.42Å; I226-S228 VanDerWaalsContact C-N 3.27Å; I226-S228 PolarHBondContact O-N 3.04Å; I226-L229 PolarHBondContact O-N 3.46Å; I226-L230 HydrophobicContact CG2-CD1 3.9Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 2.93Å; I226-F242 HydrophobicContact CG2-CD2 4.24Å; I226-F242 HydrophobicContact CG2-CE2 4.31Å; I226-S244 WeakPolarHBondContact CD1-OG 3.25Å; I226-L249 HydrophobicContact CB-CD1 4.43Å; I226-L249 HydrophobicContact CD1-CD1 4.08Å; I226-L249 HydrophobicContact CD1-CD2 4.48Å; I226-L249 HydrophobicContact CG2-CD1 4.44Å; I226-I253 HydrophobicContact CG2-CG2 3.75Å; I226-I257 HydrophobicContact CG2-CD1 3.98Å; I226-I257 HydrophobicContact CG2-CG1 4.5Å
227K92Very high91.2Very high119 Ų11944.1 Ų44.152%0.51723%0.234SC..Hα-helixtrans-55.7-43.5175.1-179.4179.7177.3-174.80111.7P223 M225 I253P223-K227 PolarHBondContact O-N 2.96Å; M225-K227 VanDerWaalsContact C-N 3.34Å; M225-K227 PolarHBondContact O-N 3.35Å; K227-I253 HydrophobicContact CB-CD1 3.75Å; K227-I253 HydrophobicContact CD-CD1 4.22Å; K227-I253 HydrophobicContact CG-CD1 3.74Å
228S94.7Very high90.9Very high41 Ų4144.9 Ų44.929%0.28724%0.239SC..Hα-helixtrans-69.8-39.8-179-55.10000112.1T224 M225 I226 L231T224-S228 PolarHBondContact O-N 2.92Å; T224-S228 VanDerWaalsContact O-N 3.08Å; T224-S228 PolarHBondContact O-OG 3.3Å; M225-S228 WeakPolarHBondContact O-CB 3.18Å; M225-S228 PolarHBondContact O-N 3.33Å; M225-S228 VanDerWaalsContact O-N 3.1Å; I226-S228 VanDerWaalsContact C-N 3.27Å; I226-S228 PolarHBondContact O-N 3.04Å; S228-L231 PolarHBondContact O-N 3.23Å
229L95.3Very high90.7Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-63.9-44.6176.2-73164000111.4F200 P202 L205 L206 M219 L221 M225 I226 L231 V232 Y233F200-L229 HydrophobicContact CZ-CG 4.26Å; P202-L229 HydrophobicContact CB-CD2 3.74Å; P202-L229 HydrophobicContact CB-CG 4.2Å; L205-L229 HydrophobicContact CD2-CD1 4.45Å; L205-L229 HydrophobicContact CD2-CD2 4.19Å; L206-L229 HydrophobicContact CD1-CD2 4.48Å; L206-L229 HydrophobicContact CD2-CD2 3.85Å; L206-L229 HydrophobicContact CG-CD2 3.96Å; M219-L229 HydrophobicContact SD-CD1 3.95Å; L221-L229 HydrophobicContact CD1-CD1 3.52Å; L221-L229 HydrophobicContact CD2-CD1 4.21Å; M225-L229 WeakPolarHBondContact O-CG 3.36Å; M225-L229 PolarHBondContact O-N 3.01Å; I226-L229 PolarHBondContact O-N 3.46Å; L229-L231 PolarHBondContact O-N 3.46Å; L229-L231 VanDerWaalsContact O-N 3.1Å; L229-V232 CarbonylContact O-C 3.56Å; L229-V232 WeakPolarHBondContact O-CG2 3.14Å; L229-V232 PolarHBondContact O-N 3.18Å; L229-Y233 WeakPolarHBondContact O-CB 3.39Å; L229-Y233 PolarHBondContact O-N 2.8Å
230L93.2Very high90.5Very high5 Ų546.3 Ų46.33%0.02625%0.245CC..Hα-helixtrans-63.9-15.7179.2-68.8168.9000114.2I226 V232 I253 K256 I257 A261I226-L230 HydrophobicContact CG2-CD1 3.9Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 2.93Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-I253 HydrophobicContact CD1-CG2 3.72Å; L230-K256 HydrophobicContact CD1-CB 3.96Å; L230-I257 HydrophobicContact CD1-CD1 4.47Å; L230-I257 HydrophobicContact CD1-CG1 3.66Å; L230-I257 HydrophobicContact CD2-CG1 4.09Å; L230-I257 HydrophobicContact CG-CG1 4.43Å; L230-A261 HydrophobicContact CD2-CB 4.27Å
231L92.7Very high90.4Very high122 Ų12246.2 Ų46.264%0.63925%0.245SC*.Hα-helixtrans-74.8-26.2172.8-66.9175.3000112.7S228 L229S228-L231 PolarHBondContact O-N 3.23Å; L229-L231 PolarHBondContact O-N 3.46Å; L229-L231 VanDerWaalsContact O-N 3.1Å
232V93.2Very high90.4Very high49 Ų4946.3 Ų46.330%0.29725%0.245SC..Hα-helixtrans-119.3-3.8-175-610000112.8P202 E203 L206 L229 L230P202-V232 HydrophobicContact CB-CG2 3.88Å; P202-V232 HydrophobicContact CG-CG2 4.37Å; E203-V232 HydrophobicContact CG-CB 4Å; E203-V232 HydrophobicContact CG-CG1 3.78Å; E203-V232 HydrophobicContact CG-CG2 4.08Å; L206-V232 HydrophobicContact CD1-CG2 3.79Å; L229-V232 CarbonylContact O-C 3.56Å; L229-V232 WeakPolarHBondContact O-CG2 3.14Å; L229-V232 PolarHBondContact O-N 3.18Å; L230-V232 VanDerWaalsContact C-N 3.34Å
233Y90.7Very high90.6Very high23 Ų2344.3 Ų44.39%0.0923%0.233CC..  trans-66.6133.5180-174.3-98.8000111.4L206 L229 E236 I239 Q260 A261 I264L206-Y233 HydrophobicContact CD2-CD2 4.5Å; L229-Y233 WeakPolarHBondContact O-CB 3.39Å; L229-Y233 PolarHBondContact O-N 2.8Å; Y233-E236 HydrophobicContact CD2-CG 4.39Å; Y233-E236 HydrophobicContact CE2-CB 3.86Å; Y233-E236 HydrophobicContact CE2-CG 4.09Å; Y233-E236 VanDerWaalsContact CZ-N 3.33Å; Y233-E236 PolarHBondContact OH-N 3.05Å; Y233-E236 PolarHBondContact OH-O 3.1Å; Y233-E236 VanDerWaalsContact OH-O 3.13Å; Y233-I239 HydrophobicContact CE2-CG1 4.48Å; Y233-Q260 WeakPolarHBondContact CD1-O 3.44Å; Y233-Q260 VanDerWaalsContact CE1-O 3.24Å; Y233-Q260 WeakPolarHBondContact CE1-O 3.26Å; Y233-A261 HydrophobicContact CD1-CB 3.86Å; Y233-A261 HydrophobicContact CE1-CB 3.43Å; Y233-A261 VanDerWaalsContact CE1-CB 3.43Å; Y233-I264 HydrophobicContact CE2-CD1 3.94Å
234N85.3Confident90.9Very high134 Ų13443.4 Ų43.472%0.71723%0.227SC*.  trans-134.261.8-175.6-17030.7000112.1E236N234-E236 PolarHBondContact O-N 3.47Å
235N71.8Confident91Very high103 Ų10339.4 Ų39.455%0.55120%0.203SC*.  trans4857.9176.6-73.3-19.5000114Q260N235-Q260 PolarHBondContact OD1-O 2.91Å
236E72.5Confident90.5Very high18 Ų1840.8 Ų40.88%0.08422%0.224CC..  trans-92.6107.1-174.5-52.9-176.9171.300111.9L206 H210 Y233 N234 T238 I239L206-E236 WeakPolarHBondContact CD2-OE2 3.38Å; H210-E236 IonicContact CD2-OE1 3.67Å; H210-E236 IonicContact CD2-OE2 3.63Å; H210-E236 IonicContact CE1-OE1 2.89Å; H210-E236 IonicContact CE1-OE2 2.71Å; H210-E236 PolarHBondContact CE1-OE2 3.23Å; H210-E236 IonicContact NE2-OE1 3.62Å; H210-E236 PolarHBondContact NE2-OE1 3Å; H210-E236 IonicContact NE2-OE2 3.41Å; H210-E236 PolarHBondContact NE2-OE2 3.25Å; Y233-E236 HydrophobicContact CD2-CG 4.39Å; Y233-E236 HydrophobicContact CE2-CB 3.86Å; Y233-E236 HydrophobicContact CE2-CG 4.09Å; Y233-E236 VanDerWaalsContact CZ-N 3.33Å; Y233-E236 PolarHBondContact OH-N 3.05Å; Y233-E236 PolarHBondContact OH-O 3.1Å; Y233-E236 VanDerWaalsContact OH-O 3.13Å; N234-E236 PolarHBondContact O-N 3.47Å; E236-T238 PolarHBondContact O-N 2.64Å; E236-T238 VanDerWaalsContact O-N 3.1Å; E236-I239 HydrophobicContact CB-CG1 4.4Å; E236-I239 PolarHBondContact O-N 2.73Å
237H81.1Confident90Very high123 Ų12346.3 Ų46.357%0.56925%0.253SS*.THydrogen-bonded Turntrans-69.9-3.4177.3-59.2-53.6000114.6K216 I239 Q240 D263K216-H237 PolarHBondContact NZ-O 2.8Å; H237-I239 VanDerWaalsContact C-N 3.33Å; H237-Q240 PolarHBondContact O-NE2 3.18Å; H237-D263 IonicContact CE1-OD2 3.25Å; H237-D263 IonicContact ND1-OD2 3.04Å; H237-D263 PolarHBondContact ND1-OD2 2.62Å
238T89.5Confident89.7Confident17 Ų1743.2 Ų43.210%0.10424%0.24CC..THydrogen-bonded Turntrans-69.4-35.9172-530000110.4C209 Y215 K216 V217 E236C209-T238 HydrophobicContact CB-CG2 4Å; C209-T238 WeakPolarHBondContact O-CG2 3.49Å; Y215-T238 WeakPolarHBondContact O-CG2 3.32Å; K216-T238 WeakPolarHBondContact CA-O 3.19Å; V217-T238 HydrophobicContact CG2-CG2 4.02Å; V217-T238 PolarHBondContact N-O 2.92Å; E236-T238 PolarHBondContact O-N 2.64Å; E236-T238 VanDerWaalsContact O-N 3.1Å
239I93.9Very high89.3Confident0 Ų041.4 Ų41.40%023%0.227CC..EExtended strand (participates in β ladder)trans-89.9124.3-179.3-47.4-46.9000108.1L206 C209 V217 M219 Y233 E236 H237 F242 I264L206-I239 HydrophobicContact CD2-CG1 4.42Å; C209-I239 HydrophobicContact CB-CD1 3.65Å; V217-I239 HydrophobicContact CB-CD1 3.92Å; V217-I239 HydrophobicContact CG1-CD1 4.37Å; V217-I239 HydrophobicContact CG2-CD1 4.26Å; M219-I239 HydrophobicContact CE-CD1 3.25Å; M219-I239 HydrophobicContact CE-CG1 3.75Å; M219-I239 HydrophobicContact CE-CG2 4Å; M219-I239 HydrophobicContact CG-CG2 4.1Å; M219-I239 HydrophobicContact SD-CG2 4.38Å; Y233-I239 HydrophobicContact CE2-CG1 4.48Å; E236-I239 HydrophobicContact CB-CG1 4.4Å; E236-I239 PolarHBondContact O-N 2.73Å; H237-I239 VanDerWaalsContact C-N 3.33Å; I239-F242 HydrophobicContact CG2-CD1 4.15Å; I239-F242 HydrophobicContact CG2-CE1 3.56Å; I239-F242 HydrophobicContact CG2-CZ 4.29Å; I239-I264 HydrophobicContact CB-CD1 4.36Å; I239-I264 HydrophobicContact CG2-CD1 3.95Å
240Q94.4Very high88.7Confident30 Ų3044.2 Ų44.214%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-116.1-38.1-170.1-71-68.8-78.800112L163 E166 K216 V217 H237 I264 N265L163-Q240 HydrophobicContact CD1-CB 4.13Å; E166-Q240 HydrophobicContact CG-CB 3.83Å; E166-Q240 HydrophobicContact CG-CG 4.34Å; E166-Q240 WeakPolarHBondContact OE1-CB 3.13Å; K216-Q240 HydrophobicContact CB-CG 3.95Å; K216-Q240 HydrophobicContact CD-CG 3.81Å; K216-Q240 HydrophobicContact CG-CG 4.39Å; V217-Q240 PolarHBondContact O-N 2.9Å; H237-Q240 PolarHBondContact O-NE2 3.18Å; Q240-I264 WeakPolarHBondContact O-CA 3.38Å; Q240-N265 PolarHBondContact O-N 3.35Å
241S96.8Very high88.1Confident0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-134.7145.2178.4-55.10000113.2E166 V217 M219 N265E166-S241 WeakPolarHBondContact OE1-CB 3.32Å; E166-S241 PolarHBondContact OE1-N 3.46Å; E166-S241 PolarHBondContact OE1-OG 3.47Å; E166-S241 PolarHBondContact OE2-OG 3.18Å; V217-S241 PolarHBondContact O-N 3.19Å; M219-S241 PolarHBondContact N-O 2.88Å; S241-N265 CarbonylContact C-O 3.58Å; S241-N265 WeakPolarHBondContact CA-O 3.46Å
242F97.3Very high87.7Confident1 Ų142.5 Ų42.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-110.9117.5163.7-73.6-17.5000110M219 L221 I226 I239 I257 I264 N265 L266 I267M219-F242 HydrophobicContact CB-CD1 3.98Å; M219-F242 HydrophobicContact CB-CE1 4.29Å; M219-F242 HydrophobicContact CG-CD1 4.22Å; M219-F242 HydrophobicContact CG-CE1 4.11Å; M219-F242 HydrophobicContact SD-CD1 4.46Å; M219-F242 HydrophobicContact SD-CE1 3.84Å; L221-F242 HydrophobicContact CD1-CD1 3.87Å; L221-F242 HydrophobicContact CD1-CE1 4.03Å; L221-F242 HydrophobicContact CD1-CG 4.37Å; I226-F242 HydrophobicContact CG2-CD2 4.24Å; I226-F242 HydrophobicContact CG2-CE2 4.31Å; I239-F242 HydrophobicContact CG2-CD1 4.15Å; I239-F242 HydrophobicContact CG2-CE1 3.56Å; I239-F242 HydrophobicContact CG2-CZ 4.29Å; F242-I257 HydrophobicContact CD2-CD1 4.4Å; F242-I264 HydrophobicContact CB-CG2 4.03Å; F242-I264 HydrophobicContact CD1-CD1 4.48Å; F242-I264 HydrophobicContact CD1-CG2 4.09Å; F242-I264 HydrophobicContact CD2-CD1 4.22Å; F242-I264 HydrophobicContact CD2-CG2 3.8Å; F242-I264 HydrophobicContact CE1-CD1 3.97Å; F242-I264 HydrophobicContact CE2-CD1 3.65Å; F242-I264 HydrophobicContact CE2-CG2 4.28Å; F242-I264 HydrophobicContact CG-CG2 3.69Å; F242-I264 HydrophobicContact CZ-CD1 3.51Å; F242-N265 PolarHBondContact N-O 2.84Å; F242-L266 HydrophobicContact CB-CD1 3.85Å; F242-I267 PolarHBondContact O-N 2.97Å
243F98Very high87.3Confident0 Ų040.6 Ų40.60%023%0.227CC..EExtended strand (participates in β ladder)trans-97.4101.1171.6-82.6-92.8000108N158 L161 M162 A218 M219 F220 L221 I267 F269N158-F243 HydrophobicContact CB-CE1 4.48Å; L161-F243 HydrophobicContact CB-CE1 4.34Å; L161-F243 HydrophobicContact CB-CZ 4.42Å; M162-F243 HydrophobicContact CB-CZ 4.1Å; M162-F243 HydrophobicContact CG-CE2 4.38Å; M162-F243 HydrophobicContact CG-CZ 4.41Å; A218-F243 HydrophobicContact CB-CD2 4.18Å; A218-F243 HydrophobicContact CB-CE2 4.02Å; M219-F243 WeakPolarHBondContact O-CB 3.4Å; M219-F243 PolarHBondContact O-N 3.35Å; F220-F243 CarbonylContact C-O 3.51Å; F220-F243 WeakPolarHBondContact CA-O 3.15Å; F220-F243 HydrophobicContact CB-CB 4.41Å; F220-F243 HydrophobicContact CD1-CB 3.73Å; F220-F243 HydrophobicContact CD1-CD1 4.47Å; F220-F243 HydrophobicContact CD1-CG 4.21Å; F220-F243 HydrophobicContact CD2-CB 4.11Å; F220-F243 HydrophobicContact CD2-CD2 4.39Å; F220-F243 HydrophobicContact CD2-CG 4.32Å; F220-F243 HydrophobicContact CE1-CB 3.93Å; F220-F243 AromaticContact CE1-CD1 3.81Å; F220-F243 HydrophobicContact CE1-CD1 3.81Å; F220-F243 HydrophobicContact CE1-CE1 4.49Å; F220-F243 AromaticContact CE1-CG 3.88Å; F220-F243 HydrophobicContact CE1-CG 3.88Å; F220-F243 HydrophobicContact CE2-CB 4.29Å; F220-F243 AromaticContact CE2-CD2 3.97Å; F220-F243 HydrophobicContact CE2-CD2 3.97Å; F220-F243 HydrophobicContact CE2-CE2 4.43Å; F220-F243 HydrophobicContact CE2-CG 4.02Å; F220-F243 HydrophobicContact CG-CB 3.83Å; F220-F243 HydrophobicContact CG-CG 4.42Å; F220-F243 HydrophobicContact CZ-CB 4.21Å; F220-F243 AromaticContact CZ-CD1 3.83Å; F220-F243 HydrophobicContact CZ-CD1 3.83Å; F220-F243 HydrophobicContact CZ-CD2 4.1Å; F220-F243 HydrophobicContact CZ-CE1 4.18Å; F220-F243 HydrophobicContact CZ-CE2 4.43Å; F220-F243 AromaticContact CZ-CG 3.78Å; F220-F243 HydrophobicContact CZ-CG 3.78Å; F220-F243 HydrophobicContact CZ-CZ 4.47Å; L221-F243 PolarHBondContact N-O 2.86Å; F243-I267 CarbonylContact C-O 3.59Å; F243-I267 WeakPolarHBondContact CA-O 3.42Å; F243-I267 HydrophobicContact CD1-CB 3.97Å; F243-I267 HydrophobicContact CD1-CD1 4.42Å; F243-I267 HydrophobicContact CD1-CG1 4.42Å; F243-I267 HydrophobicContact CD1-CG2 4.09Å; F243-I267 HydrophobicContact CD2-CD1 4Å; F243-I267 HydrophobicContact CE1-CB 4.07Å; F243-I267 HydrophobicContact CE1-CD1 4.15Å; F243-I267 HydrophobicContact CE1-CG1 4.09Å; F243-I267 HydrophobicContact CE1-CG2 4.06Å; F243-I267 HydrophobicContact CE2-CD1 3.7Å; F243-I267 HydrophobicContact CG-CB 4.38Å; F243-I267 HydrophobicContact CG-CD1 4.35Å; F243-I267 HydrophobicContact CZ-CD1 3.78Å; F243-I267 HydrophobicContact CZ-CG1 4.14Å; F243-F269 HydrophobicContact CB-CE1 3.85Å; F243-F269 HydrophobicContact CD1-CD1 4.27Å; F243-F269 AromaticContact CD1-CE1 3.95Å; F243-F269 HydrophobicContact CD1-CE1 3.95Å; F243-F269 HydrophobicContact CG-CE1 4.41Å
244S95.9Very high87Confident2 Ų240.5 Ų40.51%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-102.8127.4-173.5-174.90000112.1L221 I226 I267 E268 F269L221-S244 WeakPolarHBondContact O-CA 3.49Å; I226-S244 WeakPolarHBondContact CD1-OG 3.25Å; S244-I267 PolarHBondContact N-O 2.92Å; S244-E268 WeakPolarHBondContact O-CA 3.27Å; S244-F269 PolarHBondContact O-N 3.42Å
245S92.2Very high87Confident15 Ų1541 Ų4111%0.10522%0.223CC..  trans-151.4-177.2176.2-160.70000114.5L221 V222 P223 D247 F269L221-S245 PolarHBondContact O-N 2.82Å; V222-S245 WeakPolarHBondContact CA-O 3.29Å; V222-S245 WeakPolarHBondContact CG1-O 3.43Å; P223-S245 VanDerWaalsContact CD-O 3.27Å; P223-S245 WeakPolarHBondContact CD-O 3Å; S245-D247 PolarHBondContact O-N 3.48Å; S245-F269 VanDerWaalsContact OG-CD2 3.28Å; S245-F269 WeakPolarHBondContact OG-CD2 3.26Å; S245-F269 WeakPolarHBondContact OG-CE2 3.45Å; S245-F269 PolarHBondContact OG-O 2.79Å
246G84.9Confident87.8Confident54 Ų5439.9 Ų39.956%0.55721%0.213SC*.SBendtrans86.9-31.6-179.200000114.3
247D84Confident88.7Confident116 Ų11639.4 Ų39.462%0.6221%0.211SC*.SBendtrans-154.8165.3170.1-155.2-9.2000110.4P223 S245P223-D247 HydrophobicContact CG-CB 4.22Å; P223-D247 VanDerWaalsContact CG-O 3.28Å; P223-D247 WeakPolarHBondContact CG-O 3.47Å; S245-D247 PolarHBondContact O-N 3.48Å
248K85.8Confident89.1Confident54 Ų5441.4 Ų41.424%0.23522%0.218CC..PPolyproline II helixtrans-69.4132.6178.4-17661.9-177.6172.10110.3H250 E268 V288 S290K248-H250 PolarHBondContact O-N 3.32Å; K248-E268 IonicContact NZ-OE1 2.71Å; K248-E268 PolarHBondContact NZ-OE1 3.09Å; K248-E268 IonicContact NZ-OE2 2.74Å; K248-E268 PolarHBondContact NZ-OE2 3.44Å; K248-V288 WeakPolarHBondContact CE-O 3.41Å; K248-V288 PolarHBondContact NZ-O 2.82Å; K248-S290 PolarHBondContact NZ-O 2.87Å
249L86.4Confident89.1Confident3 Ų346.6 Ų46.62%0.01625%0.245CC..PPolyproline II helixtrans-71.2130.4176.5-164.667.5000109.7P223 I226 I253 F254 I257 L266 E268P223-L249 HydrophobicContact CB-CD1 3.68Å; P223-L249 HydrophobicContact CG-CD1 4.03Å; I226-L249 HydrophobicContact CB-CD1 4.43Å; I226-L249 HydrophobicContact CD1-CD1 4.08Å; I226-L249 HydrophobicContact CD1-CD2 4.48Å; I226-L249 HydrophobicContact CG2-CD1 4.44Å; L249-I253 HydrophobicContact CD1-CB 4.06Å; L249-I253 HydrophobicContact CD1-CG1 4.48Å; L249-I253 HydrophobicContact CD1-CG2 3.69Å; L249-I253 HydrophobicContact CD2-CB 4.44Å; L249-I253 HydrophobicContact CD2-CG2 3.97Å; L249-I253 HydrophobicContact CG-CB 3.99Å; L249-I253 HydrophobicContact CG-CG2 3.9Å; L249-F254 HydrophobicContact CB-CE1 3.62Å; L249-F254 HydrophobicContact CB-CE2 4.41Å; L249-F254 HydrophobicContact CB-CZ 3.54Å; L249-F254 HydrophobicContact CD2-CD1 3.6Å; L249-F254 HydrophobicContact CD2-CE1 3.34Å; L249-F254 HydrophobicContact CD2-CZ 4.15Å; L249-F254 HydrophobicContact CG-CD1 4.25Å; L249-F254 HydrophobicContact CG-CE1 3.81Å; L249-F254 HydrophobicContact CG-CZ 4.11Å; L249-F254 WeakPolarHBondContact O-CE2 3.24Å; L249-F254 VanDerWaalsContact O-CZ 3.29Å; L249-F254 WeakPolarHBondContact O-CZ 3.3Å; L249-I257 HydrophobicContact CD2-CD1 3.89Å; L249-L266 HydrophobicContact CD2-CD1 4.22Å; L249-L266 HydrophobicContact CD2-CD2 4.03Å; L249-E268 HydrophobicContact CB-CG 4.46Å; L249-E268 WeakPolarHBondContact CB-OE2 3.32Å; L249-E268 PolarHBondContact N-OE2 2.83Å; L249-E268 VanDerWaalsContact N-OE2 3.11Å
250H83.3Confident88.9Confident60 Ų6050.8 Ų50.828%0.27827%0.265SS..PPolyproline II helixtrans-71.3145-176.2-175.2-90000111.7K248 S252 I253 F254 Q377K248-H250 PolarHBondContact O-N 3.32Å; H250-S252 PolarHBondContact CE1-OG 2.91Å; H250-S252 WeakPolarHBondContact ND1-CB 3.34Å; H250-S252 PolarHBondContact ND1-N 3.49Å; H250-S252 VanDerWaalsContact ND1-N 3.13Å; H250-S252 PolarHBondContact ND1-OG 3.25Å; H250-S252 PolarHBondContact O-N 3.11Å; H250-S252 VanDerWaalsContact O-N 3.1Å; H250-I253 HydrophobicContact CB-CG1 4.25Å; H250-I253 WeakPolarHBondContact O-CA 3.45Å; H250-I253 WeakPolarHBondContact O-CB 3.32Å; H250-I253 PolarHBondContact O-N 3.36Å; H250-F254 PolarHBondContact O-N 3.28Å; H250-Q377 VanDerWaalsContact NE2-CA 3.28Å; H250-Q377 WeakPolarHBondContact NE2-CA 3.32Å; H250-Q377 WeakPolarHBondContact NE2-CG 3.45Å
251S81.4Confident88.6Confident37 Ų3749.3 Ų49.326%0.25926%0.258SS..Hα-helixtrans-59.3-30.2-17467.30000114.8I253 F254 K255S251-I253 VanDerWaalsContact C-N 3.32Å; S251-I253 PolarHBondContact O-N 2.8Å; S251-F254 PolarHBondContact O-N 3.4Å; S251-K255 PolarHBondContact O-N 2.96Å
252S82.7Confident88.2Confident53 Ų5355.1 Ų55.137%0.37129%0.289SS..Hα-helixtrans-67.1-30.2173.269.80000113.3H250 K256H250-S252 PolarHBondContact CE1-OG 2.91Å; H250-S252 WeakPolarHBondContact ND1-CB 3.34Å; H250-S252 PolarHBondContact ND1-N 3.49Å; H250-S252 VanDerWaalsContact ND1-N 3.13Å; H250-S252 PolarHBondContact ND1-OG 3.25Å; H250-S252 PolarHBondContact O-N 3.11Å; H250-S252 VanDerWaalsContact O-N 3.1Å; S252-K256 WeakPolarHBondContact O-CG 3.29Å; S252-K256 PolarHBondContact O-N 2.88Å; S252-K256 VanDerWaalsContact O-N 3.16Å
253I86.1Confident87.8Confident10 Ų1057.9 Ų57.95%0.05130%0.303CS..Hα-helixtrans-73.2-40.9177.4-56.8-59000110.2I226 K227 L230 L249 H250 S251 K255 K256 I257I226-I253 HydrophobicContact CG2-CG2 3.75Å; K227-I253 HydrophobicContact CB-CD1 3.75Å; K227-I253 HydrophobicContact CD-CD1 4.22Å; K227-I253 HydrophobicContact CG-CD1 3.74Å; L230-I253 HydrophobicContact CD1-CG2 3.72Å; L249-I253 HydrophobicContact CD1-CB 4.06Å; L249-I253 HydrophobicContact CD1-CG1 4.48Å; L249-I253 HydrophobicContact CD1-CG2 3.69Å; L249-I253 HydrophobicContact CD2-CB 4.44Å; L249-I253 HydrophobicContact CD2-CG2 3.97Å; L249-I253 HydrophobicContact CG-CB 3.99Å; L249-I253 HydrophobicContact CG-CG2 3.9Å; H250-I253 HydrophobicContact CB-CG1 4.25Å; H250-I253 WeakPolarHBondContact O-CA 3.45Å; H250-I253 WeakPolarHBondContact O-CB 3.32Å; H250-I253 PolarHBondContact O-N 3.36Å; S251-I253 VanDerWaalsContact C-N 3.32Å; S251-I253 PolarHBondContact O-N 2.8Å; I253-K255 VanDerWaalsContact C-N 3.3Å; I253-K255 PolarHBondContact O-N 2.87Å; I253-K256 WeakPolarHBondContact O-CB 3.48Å; I253-K256 PolarHBondContact O-N 2.89Å; I253-I257 HydrophobicContact CG2-CD1 4.17Å; I253-I257 HydrophobicContact CG2-CG1 4.46Å; I253-I257 WeakPolarHBondContact O-CG1 3.31Å; I253-I257 PolarHBondContact O-N 3.01Å
254F83.4Confident87.6Confident21 Ų2158.2 Ų58.29%0.09231%0.305CS..Hα-helixtrans-56.4-45172.3-59.9-53.8000112.1L249 H250 S251 K256 I257 K258 L266 E268 Q284 V288L249-F254 HydrophobicContact CB-CE1 3.62Å; L249-F254 HydrophobicContact CB-CE2 4.41Å; L249-F254 HydrophobicContact CB-CZ 3.54Å; L249-F254 HydrophobicContact CD2-CD1 3.6Å; L249-F254 HydrophobicContact CD2-CE1 3.34Å; L249-F254 HydrophobicContact CD2-CZ 4.15Å; L249-F254 HydrophobicContact CG-CD1 4.25Å; L249-F254 HydrophobicContact CG-CE1 3.81Å; L249-F254 HydrophobicContact CG-CZ 4.11Å; L249-F254 WeakPolarHBondContact O-CE2 3.24Å; L249-F254 VanDerWaalsContact O-CZ 3.29Å; L249-F254 WeakPolarHBondContact O-CZ 3.3Å; H250-F254 PolarHBondContact O-N 3.28Å; S251-F254 PolarHBondContact O-N 3.4Å; F254-K256 VanDerWaalsContact C-N 3.27Å; F254-K256 PolarHBondContact O-N 3.34Å; F254-I257 PolarHBondContact O-N 3.35Å; F254-K258 WeakPolarHBondContact O-CB 3.23Å; F254-K258 PolarHBondContact O-N 2.71Å; F254-L266 HydrophobicContact CD1-CD2 3.56Å; F254-L266 HydrophobicContact CE1-CD2 3.76Å; F254-E268 HydrophobicContact CE1-CG 4.2Å; F254-E268 VanDerWaalsContact CZ-CD 3.46Å; F254-E268 VanDerWaalsContact CZ-OE1 3.32Å; F254-E268 WeakPolarHBondContact CZ-OE1 3.44Å; F254-E268 WeakPolarHBondContact CZ-OE2 3.42Å; F254-Q284 HydrophobicContact CD1-CG 3.91Å; F254-Q284 VanDerWaalsContact CE1-CD 3.48Å; F254-Q284 HydrophobicContact CE1-CG 4.05Å; F254-Q284 HydrophobicContact CG-CG 4.21Å; F254-V288 HydrophobicContact CD2-CG1 4.27Å; F254-V288 HydrophobicContact CE2-CG1 3.95Å
255K86.2Confident87.5Confident145 Ų14559 Ų5963%0.6331%0.31SS*.Hα-helixtrans-60.3-39177.2-70.4179.4-177.1179.50111.5S251 I253 N259S251-K255 PolarHBondContact O-N 2.96Å; I253-K255 VanDerWaalsContact C-N 3.3Å; I253-K255 PolarHBondContact O-N 2.87Å; K255-N259 WeakPolarHBondContact O-CB 3.45Å; K255-N259 PolarHBondContact O-N 3.38Å; K255-N259 VanDerWaalsContact O-N 3.13Å; K255-N259 PolarHBondContact O-ND2 3.17Å
256K89.1Confident87.7Confident78 Ų7858.7 Ų58.734%0.33931%0.307SS..Hα-helixtrans-65.7-47.3175.2-73.9-175.4175.8-167.20112.1L230 S252 I253 F254 K258 N259 Q260L230-K256 HydrophobicContact CD1-CB 3.96Å; S252-K256 WeakPolarHBondContact O-CG 3.29Å; S252-K256 PolarHBondContact O-N 2.88Å; S252-K256 VanDerWaalsContact O-N 3.16Å; I253-K256 WeakPolarHBondContact O-CB 3.48Å; I253-K256 PolarHBondContact O-N 2.89Å; F254-K256 VanDerWaalsContact C-N 3.27Å; F254-K256 PolarHBondContact O-N 3.34Å; K256-K258 PolarHBondContact O-N 2.83Å; K256-N259 PolarHBondContact O-N 2.65Å; K256-N259 VanDerWaalsContact O-N 3.14Å; K256-Q260 WeakPolarHBondContact O-CB 3.04Å; K256-Q260 PolarHBondContact O-N 2.64Å
257I91.1Very high88.3Confident9 Ų956.1 Ų56.15%0.04628%0.28CS..Hα-helixtrans-57.3-51176.2-63.7169.6000110.1I226 L230 F242 L249 I253 F254 N259 Q260 A261 N262 L266I226-I257 HydrophobicContact CG2-CD1 3.98Å; I226-I257 HydrophobicContact CG2-CG1 4.5Å; L230-I257 HydrophobicContact CD1-CD1 4.47Å; L230-I257 HydrophobicContact CD1-CG1 3.66Å; L230-I257 HydrophobicContact CD2-CG1 4.09Å; L230-I257 HydrophobicContact CG-CG1 4.43Å; F242-I257 HydrophobicContact CD2-CD1 4.4Å; L249-I257 HydrophobicContact CD2-CD1 3.89Å; I253-I257 HydrophobicContact CG2-CD1 4.17Å; I253-I257 HydrophobicContact CG2-CG1 4.46Å; I253-I257 WeakPolarHBondContact O-CG1 3.31Å; I253-I257 PolarHBondContact O-N 3.01Å; F254-I257 PolarHBondContact O-N 3.35Å; I257-N259 PolarHBondContact O-N 3.08Å; I257-N259 VanDerWaalsContact O-N 3.12Å; I257-Q260 PolarHBondContact O-N 2.91Å; I257-A261 HydrophobicContact CG2-CB 4.46Å; I257-A261 CarbonylContact O-C 3.54Å; I257-A261 WeakPolarHBondContact O-CA 3.37Å; I257-A261 PolarHBondContact O-N 2.76Å; I257-N262 PolarHBondContact O-N 3.04Å; I257-L266 HydrophobicContact CD1-CD1 4.06Å; I257-L266 HydrophobicContact CD1-CD2 3.83Å
258K88.9Confident88.9Confident164 Ų16451.1 Ų51.171%0.71325%0.253SS*.Hα-helixtrans-59.5-28.3179.5-173.7174.1-179.7176.10113.5F254 K256 N262F254-K258 WeakPolarHBondContact O-CB 3.23Å; F254-K258 PolarHBondContact O-N 2.71Å; K256-K258 PolarHBondContact O-N 2.83Å; K258-N262 WeakPolarHBondContact O-CB 3.47Å
259N89.6Confident89.3Confident126 Ų12649.1 Ų49.167%0.67424%0.244SC*.Hα-helixtrans-91.9-35.1-178.9-68.7-12.2000113.1K255 K256 I257K255-N259 WeakPolarHBondContact O-CB 3.45Å; K255-N259 PolarHBondContact O-N 3.38Å; K255-N259 VanDerWaalsContact O-N 3.13Å; K255-N259 PolarHBondContact O-ND2 3.17Å; K256-N259 PolarHBondContact O-N 2.65Å; K256-N259 VanDerWaalsContact O-N 3.14Å; I257-N259 PolarHBondContact O-N 3.08Å; I257-N259 VanDerWaalsContact O-N 3.12Å
260Q89.1Confident89.8Confident88 Ų8850.3 Ų50.341%0.41125%0.249SC..Hα-helixtrans-114.3-13.6-168.1-62.3179.2-47.500114.2Y233 N235 K256 I257Y233-Q260 WeakPolarHBondContact CD1-O 3.44Å; Y233-Q260 VanDerWaalsContact CE1-O 3.24Å; Y233-Q260 WeakPolarHBondContact CE1-O 3.26Å; N235-Q260 PolarHBondContact OD1-O 2.91Å; K256-Q260 WeakPolarHBondContact O-CB 3.04Å; K256-Q260 PolarHBondContact O-N 2.64Å; I257-Q260 PolarHBondContact O-N 2.91Å
261A89.2Confident90.3Very high0 Ų048.4 Ų48.40%025%0.246CC..  trans-151.847.1-173.900000109.9L230 Y233 I257 D263 I264L230-A261 HydrophobicContact CD2-CB 4.27Å; Y233-A261 HydrophobicContact CD1-CB 3.86Å; Y233-A261 HydrophobicContact CE1-CB 3.43Å; Y233-A261 VanDerWaalsContact CE1-CB 3.43Å; I257-A261 HydrophobicContact CG2-CB 4.46Å; I257-A261 CarbonylContact O-C 3.54Å; I257-A261 WeakPolarHBondContact O-CA 3.37Å; I257-A261 PolarHBondContact O-N 2.76Å; A261-D263 PolarHBondContact O-N 3.44Å; A261-I264 HydrophobicContact CB-CD1 3.72Å; A261-I264 HydrophobicContact CB-CG1 4.01Å; A261-I264 WeakPolarHBondContact O-CB 3.46Å; A261-I264 PolarHBondContact O-N 2.85Å; A261-I264 VanDerWaalsContact O-N 3.12Å
262N86.9Confident90.8Very high121 Ų12147.5 Ų47.565%0.64724%0.238SC*.THydrogen-bonded Turntrans-71.2-14.7-169.266.267.3000114.2I257 K258I257-N262 PolarHBondContact O-N 3.04Å; K258-N262 WeakPolarHBondContact O-CB 3.47Å
263D89.3Confident91.1Very high59 Ų5946.2 Ų46.232%0.31623%0.229SC..THydrogen-bonded Turntrans-84.6-11.917459-29.8000112.7H237 A261 N265H237-D263 IonicContact CE1-OD2 3.25Å; H237-D263 IonicContact ND1-OD2 3.04Å; H237-D263 PolarHBondContact ND1-OD2 2.62Å; A261-D263 PolarHBondContact O-N 3.44Å; D263-N265 PolarHBondContact O-N 3.5Å
264I93.7Very high91.4Very high7 Ų746.7 Ų46.74%0.03623%0.232CC..SBendtrans-76123.4175-61.2-173000110.1Y233 I239 Q240 F242 A261 L266Y233-I264 HydrophobicContact CE2-CD1 3.94Å; I239-I264 HydrophobicContact CB-CD1 4.36Å; I239-I264 HydrophobicContact CG2-CD1 3.95Å; Q240-I264 WeakPolarHBondContact O-CA 3.38Å; F242-I264 HydrophobicContact CB-CG2 4.03Å; F242-I264 HydrophobicContact CD1-CD1 4.48Å; F242-I264 HydrophobicContact CD1-CG2 4.09Å; F242-I264 HydrophobicContact CD2-CD1 4.22Å; F242-I264 HydrophobicContact CD2-CG2 3.8Å; F242-I264 HydrophobicContact CE1-CD1 3.97Å; F242-I264 HydrophobicContact CE2-CD1 3.65Å; F242-I264 HydrophobicContact CE2-CG2 4.28Å; F242-I264 HydrophobicContact CG-CG2 3.69Å; F242-I264 HydrophobicContact CZ-CD1 3.51Å; A261-I264 HydrophobicContact CB-CD1 3.72Å; A261-I264 HydrophobicContact CB-CG1 4.01Å; A261-I264 WeakPolarHBondContact O-CB 3.46Å; A261-I264 PolarHBondContact O-N 2.85Å; A261-I264 VanDerWaalsContact O-N 3.12Å; I264-L266 PolarHBondContact O-N 3.33Å
265N95.4Very high92Very high20 Ų2045.7 Ų45.711%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-69.5116.8169.1-171.734.7000109.6L163 Q240 S241 F242 D263 I267 L282 N283L163-N265 HydrophobicContact CD1-CB 4.28Å; Q240-N265 PolarHBondContact O-N 3.35Å; S241-N265 CarbonylContact C-O 3.58Å; S241-N265 WeakPolarHBondContact CA-O 3.46Å; F242-N265 PolarHBondContact N-O 2.84Å; D263-N265 PolarHBondContact O-N 3.5Å; N265-I267 HydrophobicContact CB-CD1 4.42Å; N265-I267 WeakPolarHBondContact ND2-CD1 3.35Å; N265-L282 WeakPolarHBondContact OD1-CD1 3.41Å; N265-N283 PolarHBondContact OD1-ND2 3.01Å; N265-N283 PolarHBondContact OD1-OD1 3.1Å
266L95.7Very high92.4Very high8 Ų839.5 Ų39.54%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-101.7116.1-178.3179.864.1000110.6F242 L249 F254 I257 I264 N283F242-L266 HydrophobicContact CB-CD1 3.85Å; L249-L266 HydrophobicContact CD2-CD1 4.22Å; L249-L266 HydrophobicContact CD2-CD2 4.03Å; F254-L266 HydrophobicContact CD1-CD2 3.56Å; F254-L266 HydrophobicContact CE1-CD2 3.76Å; I257-L266 HydrophobicContact CD1-CD1 4.06Å; I257-L266 HydrophobicContact CD1-CD2 3.83Å; I264-L266 PolarHBondContact O-N 3.33Å; L266-N283 PolarHBondContact N-OD1 3.2Å; L266-N283 PolarHBondContact O-N 2.61Å
267I97Very high92.7Very high0 Ų036.3 Ų36.30%019%0.188CC..EExtended strand (participates in β ladder)trans-113.4104.8175.4-51.889000107.9L161 F242 F243 S244 N265 F269 L282L161-I267 HydrophobicContact CB-CG1 4.45Å; L161-I267 HydrophobicContact CD1-CG2 3.71Å; F242-I267 PolarHBondContact O-N 2.97Å; F243-I267 CarbonylContact C-O 3.59Å; F243-I267 WeakPolarHBondContact CA-O 3.42Å; F243-I267 HydrophobicContact CD1-CB 3.97Å; F243-I267 HydrophobicContact CD1-CD1 4.42Å; F243-I267 HydrophobicContact CD1-CG1 4.42Å; F243-I267 HydrophobicContact CD1-CG2 4.09Å; F243-I267 HydrophobicContact CD2-CD1 4Å; F243-I267 HydrophobicContact CE1-CB 4.07Å; F243-I267 HydrophobicContact CE1-CD1 4.15Å; F243-I267 HydrophobicContact CE1-CG1 4.09Å; F243-I267 HydrophobicContact CE1-CG2 4.06Å; F243-I267 HydrophobicContact CE2-CD1 3.7Å; F243-I267 HydrophobicContact CG-CB 4.38Å; F243-I267 HydrophobicContact CG-CD1 4.35Å; F243-I267 HydrophobicContact CZ-CD1 3.78Å; F243-I267 HydrophobicContact CZ-CG1 4.14Å; S244-I267 PolarHBondContact N-O 2.92Å; N265-I267 HydrophobicContact CB-CD1 4.42Å; N265-I267 WeakPolarHBondContact ND2-CD1 3.35Å; I267-F269 HydrophobicContact CG2-CD1 4.49Å; I267-L282 HydrophobicContact CG1-CD1 3.8Å
268E96.1Very high93Very high10 Ų1035.9 Ų35.95%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-84.5138.7163.9-64.6-171.5-74.700109.2S244 K248 L249 F254 Y280 N281 Q284S244-E268 WeakPolarHBondContact O-CA 3.27Å; K248-E268 IonicContact NZ-OE1 2.71Å; K248-E268 PolarHBondContact NZ-OE1 3.09Å; K248-E268 IonicContact NZ-OE2 2.74Å; K248-E268 PolarHBondContact NZ-OE2 3.44Å; L249-E268 HydrophobicContact CB-CG 4.46Å; L249-E268 WeakPolarHBondContact CB-OE2 3.32Å; L249-E268 PolarHBondContact N-OE2 2.83Å; L249-E268 VanDerWaalsContact N-OE2 3.11Å; F254-E268 HydrophobicContact CE1-CG 4.2Å; F254-E268 VanDerWaalsContact CZ-CD 3.46Å; F254-E268 VanDerWaalsContact CZ-OE1 3.32Å; F254-E268 WeakPolarHBondContact CZ-OE1 3.44Å; F254-E268 WeakPolarHBondContact CZ-OE2 3.42Å; E268-Y280 CarbonylContact O-C 3.34Å; E268-Y280 WeakPolarHBondContact O-CA 3.31Å; E268-Y280 WeakPolarHBondContact O-CB 3.44Å; E268-N281 HydrophobicContact CB-CB 4.31Å; E268-N281 PolarHBondContact N-O 2.75Å; E268-N281 PolarHBondContact O-N 3.26Å; E268-Q284 PolarHBondContact OE1-NE2 3.2Å
269F95.6Very high93.5Very high13 Ų1328 Ų286%0.05715%0.152CC..EExtended strand (participates in β ladder)trans-137144.6168.756.8-91.1000112.1L179 F220 F243 S244 S245 I267 F277 S279 F295L179-F269 HydrophobicContact CD1-CE2 4.33Å; L179-F269 HydrophobicContact CD1-CZ 3.83Å; F220-F269 HydrophobicContact CD1-CE1 4.48Å; F220-F269 HydrophobicContact CD1-CZ 4.27Å; F243-F269 HydrophobicContact CB-CE1 3.85Å; F243-F269 HydrophobicContact CD1-CD1 4.27Å; F243-F269 AromaticContact CD1-CE1 3.95Å; F243-F269 HydrophobicContact CD1-CE1 3.95Å; F243-F269 HydrophobicContact CG-CE1 4.41Å; S244-F269 PolarHBondContact O-N 3.42Å; S245-F269 VanDerWaalsContact OG-CD2 3.28Å; S245-F269 WeakPolarHBondContact OG-CD2 3.26Å; S245-F269 WeakPolarHBondContact OG-CE2 3.45Å; S245-F269 PolarHBondContact OG-O 2.79Å; I267-F269 HydrophobicContact CG2-CD1 4.49Å; F269-F277 AromaticContact CD2-CD1 3.33Å; F269-F277 HydrophobicContact CD2-CD1 3.33Å; F269-F277 AromaticContact CD2-CE1 3.52Å; F269-F277 HydrophobicContact CD2-CE1 3.52Å; F269-F277 HydrophobicContact CD2-CG 4.42Å; F269-F277 AromaticContact CE2-CD1 3.56Å; F269-F277 HydrophobicContact CE2-CD1 3.56Å; F269-F277 AromaticContact CE2-CE1 3.19Å; F269-F277 HydrophobicContact CE2-CE1 3.19Å; F269-F277 HydrophobicContact CE2-CZ 4.27Å; F269-F277 HydrophobicContact CG-CD1 4.11Å; F269-F277 HydrophobicContact CG-CE1 4.39Å; F269-F277 AromaticContact CZ-CE1 3.88Å; F269-F277 HydrophobicContact CZ-CE1 3.88Å; F269-S279 CarbonylContact C-O 3.59Å; F269-S279 VanDerWaalsContact CA-O 3.22Å; F269-S279 WeakPolarHBondContact CA-O 3.48Å; F269-S279 WeakPolarHBondContact CB-O 3.46Å; F269-F295 HydrophobicContact CB-CE2 4.38Å
270F95.5Very high93.9Very high28 Ų2824.5 Ų24.512%0.12313%0.13CC..EExtended strand (participates in β ladder)trans-105.4140.1173.8168.3-115.8000109.9I278 S279 V291 L349 L351F270-I278 HydrophobicContact CD1-CB 3.97Å; F270-I278 HydrophobicContact CD1-CD1 4.03Å; F270-I278 HydrophobicContact CD1-CG2 4.14Å; F270-I278 HydrophobicContact CE1-CB 4.27Å; F270-I278 HydrophobicContact CE1-CD1 3.5Å; F270-I278 VanDerWaalsContact CE1-CD1 3.5Å; F270-I278 HydrophobicContact CE1-CG1 4.48Å; F270-I278 HydrophobicContact CE1-CG2 4.3Å; F270-I278 HydrophobicContact CZ-CD1 4.03Å; F270-I278 PolarHBondContact O-N 2.73Å; F270-S279 PolarHBondContact N-O 2.62Å; F270-S279 PolarHBondContact O-N 3.14Å; F270-V291 HydrophobicContact CB-CB 3.77Å; F270-V291 HydrophobicContact CB-CG1 4.09Å; F270-V291 HydrophobicContact CB-CG2 4.14Å; F270-V291 HydrophobicContact CD1-CG2 4.06Å; F270-V291 HydrophobicContact CG-CB 4.32Å; F270-V291 HydrophobicContact CG-CG1 4.4Å; F270-V291 HydrophobicContact CG-CG2 4.27Å; F270-L349 HydrophobicContact CD1-CD2 4.12Å; F270-L349 HydrophobicContact CE1-CD2 4.32Å; F270-L351 HydrophobicContact CD1-CD1 4.04Å; F270-L351 HydrophobicContact CD1-CD2 4.44Å; F270-L351 HydrophobicContact CD2-CD1 3.64Å; F270-L351 HydrophobicContact CE1-CD1 3.88Å; F270-L351 HydrophobicContact CE1-CD2 3.86Å; F270-L351 HydrophobicContact CE1-CG 4.42Å; F270-L351 HydrophobicContact CE2-CD1 3.48Å; F270-L351 VanDerWaalsContact CE2-CD1 3.48Å; F270-L351 HydrophobicContact CG-CD1 3.93Å; F270-L351 HydrophobicContact CZ-CD1 3.6Å; F270-L351 HydrophobicContact CZ-CD2 4.03Å; F270-L351 HydrophobicContact CZ-CG 4.47Å
271G94.1Very high94.2Very high19 Ų1920.5 Ų20.520%0.19611%0.111CC..  trans177.2179.3179.100000110.5S276G271-S276 CarbonylContact C-O 3.59Å; G271-S276 WeakPolarHBondContact CA-O 3.15Å
272T91.3Very high94.5Very high18 Ų1822.4 Ų22.411%0.1112%0.121CC..  trans-137.5167-177.275.20000110.8E274 T275 S276T272-E274 WeakPolarHBondContact CB-OE2 3.02Å; T272-E274 PolarHBondContact O-N 3.11Å; T272-E274 PolarHBondContact OG1-N 2.89Å; T272-E274 PolarHBondContact OG1-OE2 2.88Å; T272-T275 PolarHBondContact N-OG1 2.74Å; T272-T275 PolarHBondContact O-N 3.26Å; T272-T275 VanDerWaalsContact O-N 3.1Å; T272-T275 PolarHBondContact OG1-N 2.85Å; T272-T275 PolarHBondContact OG1-OG1 3.46Å; T272-S276 PolarHBondContact N-O 3.01Å; T272-S276 PolarHBondContact O-N 3.24Å
273S90.5Very high94.8Very high26 Ų2620.3 Ų20.318%0.18211%0.11CC..THydrogen-bonded Turntrans-56.7-21.3172.9-69.60000113R146R146-S273 PolarHBondContact NH2-O 3.01Å
274E92.9Very high94.8Very high21 Ų2119.6 Ų19.610%0.09810%0.104CC..THydrogen-bonded Turntrans-91.5-29.6179-54.379.4-169.400112.7T134 T272 M320 F321 Y324 F336T134-E274 WeakPolarHBondContact CG2-OE1 3.26Å; T272-E274 WeakPolarHBondContact CB-OE2 3.02Å; T272-E274 PolarHBondContact O-N 3.11Å; T272-E274 PolarHBondContact OG1-N 2.89Å; T272-E274 PolarHBondContact OG1-OE2 2.88Å; E274-M320 CarbonylContact O-C 3.4Å; E274-M320 WeakPolarHBondContact O-CA 3.41Å; E274-F321 HydrophobicContact CB-CD1 3.81Å; E274-F321 HydrophobicContact CB-CD2 3.78Å; E274-F321 HydrophobicContact CB-CE1 3.74Å; E274-F321 HydrophobicContact CB-CE2 3.75Å; E274-F321 HydrophobicContact CB-CG 3.87Å; E274-F321 HydrophobicContact CB-CZ 3.74Å; E274-F321 HydrophobicContact CG-CD2 3.76Å; E274-F321 HydrophobicContact CG-CE1 4.27Å; E274-F321 HydrophobicContact CG-CE2 3.43Å; E274-F321 VanDerWaalsContact CG-CE2 3.43Å; E274-F321 HydrophobicContact CG-CG 4.38Å; E274-F321 HydrophobicContact CG-CZ 3.72Å; E274-F321 WeakPolarHBondContact O-CB 3.34Å; E274-F321 WeakPolarHBondContact O-CD1 3.43Å; E274-F321 WeakPolarHBondContact O-CG 3.29Å; E274-F321 PolarHBondContact O-N 2.87Å; E274-Y324 HydrophobicContact CG-CE1 4.23Å; E274-Y324 HydrophobicContact CG-CE2 4.45Å; E274-Y324 VanDerWaalsContact CG-OH 3.25Å; E274-Y324 WeakPolarHBondContact CG-OH 3.3Å; E274-Y324 PolarHBondContact OE1-OH 3.34Å; E274-F336 HydrophobicContact CB-CD1 4.23Å; E274-F336 HydrophobicContact CB-CE1 3.46Å; E274-F336 VanDerWaalsContact CB-CE1 3.46Å; E274-F336 HydrophobicContact CB-CZ 3.63Å; E274-F336 HydrophobicContact CG-CE1 4Å; E274-F336 HydrophobicContact CG-CZ 3.72Å
275T94.5Very high94.7Very high0 Ų026.2 Ų26.20%014%0.135CC..THydrogen-bonded Turntrans-111.6-6.3-17154.10000114.1T272 F277 I278 I315 M319 F336 T338T272-T275 PolarHBondContact N-OG1 2.74Å; T272-T275 PolarHBondContact O-N 3.26Å; T272-T275 VanDerWaalsContact O-N 3.1Å; T272-T275 PolarHBondContact OG1-N 2.85Å; T272-T275 PolarHBondContact OG1-OG1 3.46Å; T275-F277 PolarHBondContact O-N 3.46Å; T275-I278 HydrophobicContact CG2-CD1 4.19Å; T275-I278 HydrophobicContact CG2-CG1 4.45Å; T275-I278 WeakPolarHBondContact OG1-CD1 3.34Å; T275-I315 HydrophobicContact CG2-CB 4.25Å; T275-I315 HydrophobicContact CG2-CG1 4.45Å; T275-I315 HydrophobicContact CG2-CG2 4.33Å; T275-M319 CarbonylContact C-O 3.57Å; T275-F336 HydrophobicContact CG2-CD1 3.7Å; T275-F336 HydrophobicContact CG2-CE1 4.14Å; T275-T338 HydrophobicContact CG2-CG2 4.17Å
276S95Very high94.7Very high14 Ų1425.6 Ų25.610%0.09813%0.133CC..SBendtrans57.4-101.3-167.4-169.20000110.5S154 G271 T272 M319S154-S276 WeakPolarHBondContact CB-OG 3.5Å; S154-S276 WeakPolarHBondContact OG-CB 3.48Å; S154-S276 PolarHBondContact OG-OG 2.94Å; G271-S276 CarbonylContact C-O 3.59Å; G271-S276 WeakPolarHBondContact CA-O 3.15Å; T272-S276 PolarHBondContact N-O 3.01Å; T272-S276 PolarHBondContact O-N 3.24Å; S276-M319 WeakPolarHBondContact CB-O 3.33Å
277F96.2Very high94.5Very high11 Ų1127.5 Ų27.55%0.04815%0.146CC..  trans-118.1133.5179.2-48.4-55.2000111.3V157 N158 Y182 F269 T275 F295 M319V157-F277 HydrophobicContact CG2-CD2 3.98Å; N158-F277 WeakPolarHBondContact ND2-CE2 3.38Å; N158-F277 WeakPolarHBondContact ND2-CZ 3.47Å; Y182-F277 HydrophobicContact CD1-CZ 4.1Å; Y182-F277 HydrophobicContact CD2-CZ 4.37Å; Y182-F277 HydrophobicContact CE1-CE2 4.09Å; Y182-F277 AromaticContact CE1-CZ 3.72Å; Y182-F277 HydrophobicContact CE1-CZ 3.72Å; Y182-F277 AromaticContact CE2-CE2 3.81Å; Y182-F277 HydrophobicContact CE2-CE2 3.81Å; Y182-F277 AromaticContact CE2-CZ 3.99Å; Y182-F277 HydrophobicContact CE2-CZ 3.99Å; Y182-F277 HydrophobicContact CG-CZ 4.42Å; Y182-F277 AromaticContact CZ-CE2 3.55Å; Y182-F277 AromaticContact CZ-CZ 3.66Å; F269-F277 AromaticContact CD2-CD1 3.33Å; F269-F277 HydrophobicContact CD2-CD1 3.33Å; F269-F277 AromaticContact CD2-CE1 3.52Å; F269-F277 HydrophobicContact CD2-CE1 3.52Å; F269-F277 HydrophobicContact CD2-CG 4.42Å; F269-F277 AromaticContact CE2-CD1 3.56Å; F269-F277 HydrophobicContact CE2-CD1 3.56Å; F269-F277 AromaticContact CE2-CE1 3.19Å; F269-F277 HydrophobicContact CE2-CE1 3.19Å; F269-F277 HydrophobicContact CE2-CZ 4.27Å; F269-F277 HydrophobicContact CG-CD1 4.11Å; F269-F277 HydrophobicContact CG-CE1 4.39Å; F269-F277 AromaticContact CZ-CE1 3.88Å; F269-F277 HydrophobicContact CZ-CE1 3.88Å; T275-F277 PolarHBondContact O-N 3.46Å; F277-F295 HydrophobicContact CB-CD2 3.78Å; F277-F295 HydrophobicContact CB-CE2 3.49Å; F277-F295 VanDerWaalsContact CB-CE2 3.49Å; F277-F295 HydrophobicContact CB-CZ 4.21Å; F277-F295 HydrophobicContact CG-CE2 4.34Å; F277-M319 HydrophobicContact CB-CE 4.43Å; F277-M319 HydrophobicContact CD2-SD 4.39Å; F277-M319 WeakPolarHBondContact O-CE 3.44Å
278I97.6Very high94Very high0 Ų030.4 Ų30.40%016%0.163CC..  trans-106.2-52.6179.2-65.8168.2000110F270 T275 L294 F295 V298 I315 T338 L349F270-I278 HydrophobicContact CD1-CB 3.97Å; F270-I278 HydrophobicContact CD1-CD1 4.03Å; F270-I278 HydrophobicContact CD1-CG2 4.14Å; F270-I278 HydrophobicContact CE1-CB 4.27Å; F270-I278 HydrophobicContact CE1-CD1 3.5Å; F270-I278 VanDerWaalsContact CE1-CD1 3.5Å; F270-I278 HydrophobicContact CE1-CG1 4.48Å; F270-I278 HydrophobicContact CE1-CG2 4.3Å; F270-I278 HydrophobicContact CZ-CD1 4.03Å; F270-I278 PolarHBondContact O-N 2.73Å; T275-I278 HydrophobicContact CG2-CD1 4.19Å; T275-I278 HydrophobicContact CG2-CG1 4.45Å; T275-I278 WeakPolarHBondContact OG1-CD1 3.34Å; I278-L294 HydrophobicContact CG2-CD2 4.06Å; I278-L294 WeakPolarHBondContact O-CA 3.34Å; I278-F295 PolarHBondContact O-N 3.43Å; I278-F295 VanDerWaalsContact O-N 3.12Å; I278-V298 HydrophobicContact CG2-CG1 4.2Å; I278-I315 HydrophobicContact CD1-CD1 4.19Å; I278-I315 HydrophobicContact CD1-CG1 3.78Å; I278-I315 HydrophobicContact CG1-CD1 4.17Å; I278-I315 HydrophobicContact CG1-CG1 3.98Å; I278-I315 HydrophobicContact CG1-CG2 4.4Å; I278-I315 HydrophobicContact CG2-CD1 3.6Å; I278-I315 HydrophobicContact CG2-CG1 4.34Å; I278-T338 HydrophobicContact CD1-CG2 4.27Å; I278-L349 HydrophobicContact CG2-CD2 3.98Å
279S98Very high93.6Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-143.7161.1-175.166.70000111.9F269 F270 V291 V293F269-S279 CarbonylContact C-O 3.59Å; F269-S279 VanDerWaalsContact CA-O 3.22Å; F269-S279 WeakPolarHBondContact CA-O 3.48Å; F269-S279 WeakPolarHBondContact CB-O 3.46Å; F270-S279 PolarHBondContact N-O 2.62Å; F270-S279 PolarHBondContact O-N 3.14Å; S279-V291 WeakPolarHBondContact CB-O 3.45Å; S279-V291 WeakPolarHBondContact OG-CG2 3.4Å; S279-V291 PolarHBondContact OG-O 2.86Å; S279-V293 CarbonylContact C-O 3.57Å; S279-V293 WeakPolarHBondContact CA-O 3.44Å; S279-V293 WeakPolarHBondContact CB-O 3.46Å
280Y97.4Very high93.5Very high52 Ų5233.3 Ų33.320%0.20418%0.177CC..EExtended strand (participates in β ladder)trans-140.6152.6177.471.4-78000112.6L161 E268 L282 G292 V293 F295L161-Y280 HydrophobicContact CD1-CD1 4.48Å; L161-Y280 HydrophobicContact CD1-CD2 3.76Å; L161-Y280 HydrophobicContact CD1-CE2 4.3Å; L161-Y280 HydrophobicContact CD1-CG 3.87Å; L161-Y280 HydrophobicContact CD2-CD2 3.88Å; L161-Y280 HydrophobicContact CD2-CE2 3.6Å; E268-Y280 CarbonylContact O-C 3.34Å; E268-Y280 WeakPolarHBondContact O-CA 3.31Å; E268-Y280 WeakPolarHBondContact O-CB 3.44Å; Y280-L282 HydrophobicContact CD2-CB 4.27Å; Y280-L282 HydrophobicContact CE2-CB 4.25Å; Y280-G292 CarbonylContact O-C 3.07Å; Y280-G292 VanDerWaalsContact O-CA 3.26Å; Y280-G292 WeakPolarHBondContact O-CA 3.29Å; Y280-V293 HydrophobicContact CD1-CG2 4.3Å; Y280-V293 HydrophobicContact CE1-CG2 3.76Å; Y280-V293 HydrophobicContact CE2-CG2 4.33Å; Y280-V293 PolarHBondContact N-O 3.01Å; Y280-V293 PolarHBondContact O-N 3.35Å; Y280-F295 AromaticContact CD1-CD1 3.71Å; Y280-F295 HydrophobicContact CD1-CD1 3.71Å; Y280-F295 HydrophobicContact CD1-CD2 4.01Å; Y280-F295 AromaticContact CD1-CE1 3.64Å; Y280-F295 HydrophobicContact CD1-CE1 3.64Å; Y280-F295 AromaticContact CD1-CE2 3.88Å; Y280-F295 HydrophobicContact CD1-CE2 3.88Å; Y280-F295 AromaticContact CD1-CG 3.93Å; Y280-F295 HydrophobicContact CD1-CG 3.93Å; Y280-F295 AromaticContact CD1-CZ 3.73Å; Y280-F295 HydrophobicContact CD1-CZ 3.73Å; Y280-F295 HydrophobicContact CE1-CD1 4.03Å; Y280-F295 HydrophobicContact CE1-CE1 4.24Å; Y280-F295 HydrophobicContact CE1-CG 4.41Å; Y280-F295 HydrophobicContact CG-CE1 4.09Å; Y280-F295 HydrophobicContact CG-CE2 4.24Å; Y280-F295 AromaticContact CG-CZ 3.9Å; Y280-F295 HydrophobicContact CG-CZ 3.9Å
281N96Very high93.5Very high3 Ų333 Ų332%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-125105.7170.8-170.61.9000109.4E268 Q284 Q285 A286E268-N281 HydrophobicContact CB-CB 4.31Å; E268-N281 PolarHBondContact N-O 2.75Å; E268-N281 PolarHBondContact O-N 3.26Å; N281-Q284 PolarHBondContact ND2-NE2 2.96Å; N281-Q284 PolarHBondContact ND2-OE1 2.96Å; N281-Q284 WeakPolarHBondContact OD1-CA 3.37Å; N281-Q285 PolarHBondContact OD1-N 2.88Å; N281-A286 HydrophobicContact CB-CB 4.42Å; N281-A286 PolarHBondContact ND2-O 3.02Å; N281-A286 WeakPolarHBondContact OD1-CB 3.31Å; N281-A286 PolarHBondContact OD1-N 2.95Å
282L95.2Very high93.6Very high41 Ų4132.1 Ų32.122%0.21517%0.168CC..EExtended strand (participates in β ladder)trans-84.2120.9177.9-178.663000109.9N265 I267 Y280 Q284 Q285N265-L282 WeakPolarHBondContact OD1-CD1 3.41Å; I267-L282 HydrophobicContact CG1-CD1 3.8Å; Y280-L282 HydrophobicContact CD2-CB 4.27Å; Y280-L282 HydrophobicContact CE2-CB 4.25Å; L282-Q284 PolarHBondContact O-N 3.37Å; L282-Q285 WeakPolarHBondContact O-CB 3.23Å; L282-Q285 VanDerWaalsContact O-CG 3.23Å; L282-Q285 WeakPolarHBondContact O-CG 3.45Å; L282-Q285 PolarHBondContact O-N 2.94Å
283N93Very high93.9Very high77 Ų7733.2 Ų33.241%0.41218%0.175SC..THydrogen-bonded Turntrans49.334.1176-64.6-43.7000114.8N265 L266 Q285N265-N283 PolarHBondContact OD1-ND2 3.01Å; N265-N283 PolarHBondContact OD1-OD1 3.1Å; L266-N283 PolarHBondContact N-OD1 3.2Å; L266-N283 PolarHBondContact O-N 2.61Å; N283-Q285 PolarHBondContact O-N 3.47Å
284Q89.9Confident94.3Very high43 Ų4334.6 Ų34.620%0.20118%0.18CC..THydrogen-bonded Turntrans55.333.9-176.4-60.8-59.5-65.500114F254 E268 N281 L282 A286F254-Q284 HydrophobicContact CD1-CG 3.91Å; F254-Q284 VanDerWaalsContact CE1-CD 3.48Å; F254-Q284 HydrophobicContact CE1-CG 4.05Å; F254-Q284 HydrophobicContact CG-CG 4.21Å; E268-Q284 PolarHBondContact OE1-NE2 3.2Å; N281-Q284 PolarHBondContact ND2-NE2 2.96Å; N281-Q284 PolarHBondContact ND2-OE1 2.96Å; N281-Q284 WeakPolarHBondContact OD1-CA 3.37Å; L282-Q284 PolarHBondContact O-N 3.37Å; Q284-A286 PolarHBondContact O-N 2.92Å
285Q92.8Very high94.5Very high146 Ų14633.8 Ų33.868%0.68218%0.176SC*.  trans-66.4-30.3171.7-71.6174.510.600111.8N281 L282 N283N281-Q285 PolarHBondContact OD1-N 2.88Å; L282-Q285 WeakPolarHBondContact O-CB 3.23Å; L282-Q285 VanDerWaalsContact O-CG 3.23Å; L282-Q285 WeakPolarHBondContact O-CG 3.45Å; L282-Q285 PolarHBondContact O-N 2.94Å; N283-Q285 PolarHBondContact O-N 3.47Å
286A94.3Very high94.4Very high8 Ų838.2 Ų38.27%0.06621%0.205CC..SBendtrans-87.2157.6171.300000112N281 Q284 V288 Y348N281-A286 HydrophobicContact CB-CB 4.42Å; N281-A286 PolarHBondContact ND2-O 3.02Å; N281-A286 WeakPolarHBondContact OD1-CB 3.31Å; N281-A286 PolarHBondContact OD1-N 2.95Å; Q284-A286 PolarHBondContact O-N 2.92Å; A286-V288 PolarHBondContact O-N 3.2Å; A286-Y348 HydrophobicContact CB-CD1 3.39Å; A286-Y348 HydrophobicContact CB-CE1 3.41Å; A286-Y348 VanDerWaalsContact CB-CE1 3.41Å; A286-Y348 HydrophobicContact CB-CG 4.31Å
287P92.2Very high94.1Very high48 Ų4841.4 Ų41.431%0.31222%0.221SC..  trans-51.4137.7177.5-29.337.3000113E289 S290 Y348 Y350P287-E289 PolarHBondContact O-N 3.07Å; P287-E289 VanDerWaalsContact O-N 3.11Å; P287-S290 WeakPolarHBondContact O-CB 3.45Å; P287-S290 PolarHBondContact O-N 2.93Å; P287-S290 PolarHBondContact O-OG 3.36Å; P287-Y348 VanDerWaalsContact CD-CD2 3.47Å; P287-Y348 HydrophobicContact CG-CD2 3.82Å; P287-Y348 HydrophobicContact CG-CE2 3.99Å; P287-Y348 HydrophobicContact CG-CG 4.31Å; P287-Y350 WeakPolarHBondContact CG-OH 3.49Å
288V86.6Confident94.2Very high60 Ų6041.4 Ų41.436%0.36422%0.222SC..THydrogen-bonded Turntrans-55.6-34.4-174.5175.10000112.9K248 F254 A286 S290K248-V288 WeakPolarHBondContact CE-O 3.41Å; K248-V288 PolarHBondContact NZ-O 2.82Å; F254-V288 HydrophobicContact CD2-CG1 4.27Å; F254-V288 HydrophobicContact CE2-CG1 3.95Å; A286-V288 PolarHBondContact O-N 3.2Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 2.9Å
289E87Confident94.2Very high85 Ų8546.1 Ų46.140%0.39724%0.244SC..THydrogen-bonded Turntrans-80.6-10.5-179.7-60.7-57.2135.900113.9P287 Y350P287-E289 PolarHBondContact O-N 3.07Å; P287-E289 VanDerWaalsContact O-N 3.11Å; E289-Y350 HydrophobicContact CB-CE1 4.47Å
290S93.7Very high94.2Very high0 Ų047.7 Ų47.70%025%0.252CS..SBendtrans-86.7162.7176.278.60000111.3K248 P287 V288 G292 L349K248-S290 PolarHBondContact NZ-O 2.87Å; P287-S290 WeakPolarHBondContact O-CB 3.45Å; P287-S290 PolarHBondContact O-N 2.93Å; P287-S290 PolarHBondContact O-OG 3.36Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 2.9Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact OG-N 3.07Å; S290-L349 CarbonylContact C-O 3.55Å; S290-L349 WeakPolarHBondContact CA-O 3.34Å; S290-L349 WeakPolarHBondContact CB-O 3.43Å
291V95.2Very high94.2Very high21 Ų2149.1 Ų49.113%0.12726%0.259CS..  trans-95.922.1165.7-65.40000112F270 S279 L349 L351F270-V291 HydrophobicContact CB-CB 3.77Å; F270-V291 HydrophobicContact CB-CG1 4.09Å; F270-V291 HydrophobicContact CB-CG2 4.14Å; F270-V291 HydrophobicContact CD1-CG2 4.06Å; F270-V291 HydrophobicContact CG-CB 4.32Å; F270-V291 HydrophobicContact CG-CG1 4.4Å; F270-V291 HydrophobicContact CG-CG2 4.27Å; S279-V291 WeakPolarHBondContact CB-O 3.45Å; S279-V291 WeakPolarHBondContact OG-CG2 3.4Å; S279-V291 PolarHBondContact OG-O 2.86Å; V291-L349 HydrophobicContact CG2-CB 3.8Å; V291-L349 HydrophobicContact CG2-CD2 3.67Å; V291-L349 HydrophobicContact CG2-CG 3.54Å; V291-L349 WeakPolarHBondContact CG2-O 3.15Å; V291-L349 PolarHBondContact N-O 2.94Å; V291-L351 HydrophobicContact CG1-CD1 3.75Å; V291-L351 HydrophobicContact CG1-CG 3.98Å; V291-L351 HydrophobicContact CG2-CD1 4.26Å; V291-L351 HydrophobicContact CG2-CD2 4.45Å; V291-L351 HydrophobicContact CG2-CG 3.93Å
292G96.8Very high94.2Very high0 Ų050.7 Ų50.70%027%0.269CS..  trans82.7-150.2173.400000114.3Y280 S290 Y348 L349Y280-G292 CarbonylContact O-C 3.07Å; Y280-G292 VanDerWaalsContact O-CA 3.26Å; Y280-G292 WeakPolarHBondContact O-CA 3.29Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact OG-N 3.07Å; G292-Y348 CarbonylContact O-C 3.56Å; G292-Y348 WeakPolarHBondContact O-CA 3.47Å; G292-L349 PolarHBondContact O-N 3.2Å
293V97.8Very high94.3Very high42 Ų4250.7 Ų50.726%0.25527%0.271SS..EExtended strand (participates in β ladder)trans-106.8154.2-176-61.60000110.7S279 Y280 Y348S279-V293 CarbonylContact C-O 3.57Å; S279-V293 WeakPolarHBondContact CA-O 3.44Å; S279-V293 WeakPolarHBondContact CB-O 3.46Å; Y280-V293 HydrophobicContact CD1-CG2 4.3Å; Y280-V293 HydrophobicContact CE1-CG2 3.76Å; Y280-V293 HydrophobicContact CE2-CG2 4.33Å; Y280-V293 PolarHBondContact N-O 3.01Å; Y280-V293 PolarHBondContact O-N 3.35Å; V293-Y348 HydrophobicContact CG1-CD1 3.61Å; V293-Y348 HydrophobicContact CG1-CE1 3.71Å
294L98.2Very high94.4Very high55 Ų5553.2 Ų53.229%0.28828%0.284SS..EExtended strand (participates in β ladder)trans-64.5147.5178.5-56176.4000111.3I278 V298 L300 L349I278-L294 HydrophobicContact CG2-CD2 4.06Å; I278-L294 WeakPolarHBondContact O-CA 3.34Å; L294-V298 HydrophobicContact CB-CB 4.47Å; L294-V298 HydrophobicContact CD2-CG1 4.37Å; L294-L300 HydrophobicContact CD1-CB 3.72Å; L294-L300 HydrophobicContact CD2-CB 4.13Å; L294-L300 HydrophobicContact CD2-CD1 3.82Å; L294-L349 HydrophobicContact CD2-CD2 4.33Å
295F97.6Very high94.6Very high3 Ų356 Ų561%0.01330%0.297CS..  trans-65.4149.9166.1-79.7-80.8000110.5V157 L161 F269 F277 I278 Y280 N297 V298 M319V157-F295 HydrophobicContact CB-CD1 3.57Å; V157-F295 HydrophobicContact CB-CE1 3.78Å; V157-F295 HydrophobicContact CB-CG 4.37Å; V157-F295 HydrophobicContact CG1-CD1 4.12Å; V157-F295 HydrophobicContact CG2-CD1 3.93Å; V157-F295 HydrophobicContact CG2-CE1 3.9Å; V157-F295 HydrophobicContact CG2-CG 4.44Å; V157-F295 HydrophobicContact CG2-CZ 4.45Å; L161-F295 HydrophobicContact CD1-CE1 3.61Å; L161-F295 HydrophobicContact CD1-CZ 3.83Å; L161-F295 HydrophobicContact CG-CE1 4.43Å; F269-F295 HydrophobicContact CB-CE2 4.38Å; F277-F295 HydrophobicContact CB-CD2 3.78Å; F277-F295 HydrophobicContact CB-CE2 3.49Å; F277-F295 VanDerWaalsContact CB-CE2 3.49Å; F277-F295 HydrophobicContact CB-CZ 4.21Å; F277-F295 HydrophobicContact CG-CE2 4.34Å; I278-F295 PolarHBondContact O-N 3.43Å; I278-F295 VanDerWaalsContact O-N 3.12Å; Y280-F295 AromaticContact CD1-CD1 3.71Å; Y280-F295 HydrophobicContact CD1-CD1 3.71Å; Y280-F295 HydrophobicContact CD1-CD2 4.01Å; Y280-F295 AromaticContact CD1-CE1 3.64Å; Y280-F295 HydrophobicContact CD1-CE1 3.64Å; Y280-F295 AromaticContact CD1-CE2 3.88Å; Y280-F295 HydrophobicContact CD1-CE2 3.88Å; Y280-F295 AromaticContact CD1-CG 3.93Å; Y280-F295 HydrophobicContact CD1-CG 3.93Å; Y280-F295 AromaticContact CD1-CZ 3.73Å; Y280-F295 HydrophobicContact CD1-CZ 3.73Å; Y280-F295 HydrophobicContact CE1-CD1 4.03Å; Y280-F295 HydrophobicContact CE1-CE1 4.24Å; Y280-F295 HydrophobicContact CE1-CG 4.41Å; Y280-F295 HydrophobicContact CG-CE1 4.09Å; Y280-F295 HydrophobicContact CG-CE2 4.24Å; Y280-F295 AromaticContact CG-CZ 3.9Å; Y280-F295 HydrophobicContact CG-CZ 3.9Å; F295-N297 PolarHBondContact O-N 2.93Å; F295-V298 HydrophobicContact CB-CB 4.44Å; F295-V298 HydrophobicContact CB-CG2 3.78Å; F295-V298 WeakPolarHBondContact O-CB 3.31Å; F295-V298 PolarHBondContact O-N 2.83Å; F295-M319 HydrophobicContact CB-CE 4.26Å
296P91.8Very high94.6Very high94 Ų9450 Ų5061%0.6127%0.27SS*.THydrogen-bonded Turntrans-53.6-31.2-172.6-30.336.6000116.1M160M160-P296 HydrophobicContact CE-CG 4.24Å
297N89Confident94.4Very high81 Ų8155 Ų5543%0.43329%0.292SS..THydrogen-bonded Turntrans-10217.2-178.6-61-28.6000113.4F295 S317F295-N297 PolarHBondContact O-N 2.93Å; N297-S317 WeakPolarHBondContact O-CB 3.44Å
298V97.5Very high94.1Very high10 Ų1056 Ų566%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-106.5114.8178.4177.50000109.4I278 L294 F295 I315 M319I278-V298 HydrophobicContact CG2-CG1 4.2Å; L294-V298 HydrophobicContact CB-CB 4.47Å; L294-V298 HydrophobicContact CD2-CG1 4.37Å; F295-V298 HydrophobicContact CB-CB 4.44Å; F295-V298 HydrophobicContact CB-CG2 3.78Å; F295-V298 WeakPolarHBondContact O-CB 3.31Å; F295-V298 PolarHBondContact O-N 2.83Å; V298-I315 HydrophobicContact CG1-CD1 4.32Å; V298-I315 HydrophobicContact CG1-CG2 4.01Å; V298-M319 HydrophobicContact CG2-CE 3.37Å
299E98.1Very high94.4Very high99 Ų9954.9 Ų54.946%0.46329%0.294SS..EExtended strand (participates in β ladder)trans-91.5136.4167.5-68179.3-116.800109.9I315 K316 W335E299-I315 WeakPolarHBondContact O-CA 3.49Å; E299-K316 HydrophobicContact CB-CB 4.34Å; E299-K316 PolarHBondContact N-O 3.39Å; E299-K316 PolarHBondContact O-N 3.15Å; E299-K316 WeakPolarHBondContact OE1-CE 3.48Å; E299-K316 IonicContact OE1-NZ 3.16Å; E299-K316 PolarHBondContact OE1-NZ 3.22Å; E299-K316 VanDerWaalsContact OE2-CE 3.25Å; E299-K316 WeakPolarHBondContact OE2-CE 3.49Å; E299-K316 IonicContact OE2-NZ 2.79Å; E299-K316 PolarHBondContact OE2-NZ 2.88Å; E299-K316 VanDerWaalsContact OE2-NZ 3.07Å; E299-W335 HydrophobicContact CB-CH2 3.87Å; E299-W335 HydrophobicContact CB-CZ3 4.29Å
300L97.8Very high94.8Very high34 Ų3451.7 Ų51.718%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-127.8134.4178-175.7153.9000109.8L294 T302 I313 C314 I315 V344 L349L294-L300 HydrophobicContact CD1-CB 3.72Å; L294-L300 HydrophobicContact CD2-CB 4.13Å; L294-L300 HydrophobicContact CD2-CD1 3.82Å; L300-T302 HydrophobicContact CD2-CG2 4.16Å; L300-I313 HydrophobicContact CD1-CG2 3.87Å; L300-I313 HydrophobicContact CG-CG2 4.18Å; L300-C314 WeakPolarHBondContact CA-O 3.25Å; L300-I315 HydrophobicContact CB-CD1 3.98Å; L300-I315 HydrophobicContact CD1-CD1 3.72Å; L300-I315 HydrophobicContact CG-CD1 3.84Å; L300-V344 HydrophobicContact CD2-CG2 3.81Å; L300-L349 HydrophobicContact CD1-CD1 3.68Å; L300-L349 HydrophobicContact CD1-CD2 3.76Å; L300-L349 HydrophobicContact CD1-CG 4.31Å
301K97.1Very high95Very high81 Ų8151.7 Ų51.735%0.35228%0.28SS..EExtended strand (participates in β ladder)trans-130.1154.6161.972.8-175.1-178.3-168.40109.8C314 W335K301-C314 HydrophobicContact CG-CB 3.74Å; K301-C314 PolarHBondContact N-O 2.84Å; K301-C314 PolarHBondContact O-N 2.86Å; K301-W335 HydrophobicContact CB-CH2 4.07Å; K301-W335 HydrophobicContact CB-CZ3 4.05Å; K301-W335 HydrophobicContact CD-CD2 3.76Å; K301-W335 HydrophobicContact CD-CE3 3.87Å; K301-W335 HydrophobicContact CD-CG 4.4Å; K301-W335 HydrophobicContact CD-CH2 3.99Å; K301-W335 HydrophobicContact CD-CZ2 3.9Å; K301-W335 HydrophobicContact CD-CZ3 3.99Å; K301-W335 HydrophobicContact CG-CD2 4.2Å; K301-W335 HydrophobicContact CG-CE3 3.77Å; K301-W335 HydrophobicContact CG-CH2 3.98Å; K301-W335 HydrophobicContact CG-CZ2 4.4Å; K301-W335 HydrophobicContact CG-CZ3 3.66Å
302T97.4Very high95.1Very high36 Ų3651 Ų5122%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-107.914017149.70000109.6L300 H305 T312 I313L300-T302 HydrophobicContact CD2-CG2 4.16Å; T302-H305 WeakPolarHBondContact CB-NE2 3.46Å; T302-H305 PolarHBondContact O-CE1 3.09Å; T302-H305 PolarHBondContact OG1-NE2 2.6Å; T302-T312 CarbonylContact C-O 3.5Å; T302-T312 VanDerWaalsContact CA-O 3.24Å; T302-T312 WeakPolarHBondContact CA-O 3.38Å; T302-I313 HydrophobicContact CG2-CG1 4.49Å
303T96.9Very high95.1Very high42 Ų4251 Ų5126%0.25828%0.275SS..EExtended strand (participates in β ladder)trans-124.3171.5176.3610000111H305 G311 T312T303-H305 PolarHBondContact O-N 3.06Å; T303-G311 CarbonylContact O-C 3.45Å; T303-G311 WeakPolarHBondContact O-CA 3.33Å; T303-T312 PolarHBondContact N-O 3.08Å; T303-T312 PolarHBondContact O-N 3.01Å
304N94.2Very high95.1Very high129 Ų12949.1 Ų49.169%0.6927%0.265SS*.SBendtrans53.146.8174.9-55.1-38000114.6
305H95.3Very high95.1Very high103 Ų10346.5 Ų46.548%0.47725%0.251SS..  trans-63137.2-174.5-58.384000113.6T302 T303 I310T302-H305 WeakPolarHBondContact CB-NE2 3.46Å; T302-H305 PolarHBondContact O-CE1 3.09Å; T302-H305 PolarHBondContact OG1-NE2 2.6Å; T303-H305 PolarHBondContact O-N 3.06Å; H305-I310 CarbonylContact C-O 3.57Å; H305-I310 WeakPolarHBondContact CA-O 3.42Å
306D92.9Very high95.1Very high19 Ų1948.2 Ų48.210%0.10226%0.258CS..  trans-79.3178.916685.3-15.2000111.9N308 G309 I310 N365D306-N308 PolarHBondContact O-N 3.48Å; D306-N308 VanDerWaalsContact O-N 3.1Å; D306-N308 VanDerWaalsContact OD1-CA 3.27Å; D306-N308 WeakPolarHBondContact OD1-CA 3.41Å; D306-N308 WeakPolarHBondContact OD1-CB 3.36Å; D306-N308 PolarHBondContact OD1-N 2.77Å; D306-N308 PolarHBondContact OD2-ND2 3.34Å; D306-N308 VanDerWaalsContact OD2-ND2 3.1Å; D306-G309 PolarHBondContact O-N 3.23Å; D306-G309 PolarHBondContact OD1-N 3.34Å; D306-I310 PolarHBondContact N-O 3.27Å; D306-I310 WeakPolarHBondContact OD1-CB 3.38Å; D306-I310 PolarHBondContact OD1-N 3.21Å; D306-N365 HydrophobicContact CB-CB 4.42Å; D306-N365 VanDerWaalsContact CB-ND2 3.29Å; D306-N365 WeakPolarHBondContact CB-ND2 3.21Å
307H88.4Confident95.3Very high114 Ų11444 Ų4453%0.52823%0.231SC..THydrogen-bonded Turntrans-65.7-9.9178.568.2-83.9000114.3Q364H307-Q364 PolarHBondContact CE1-OE1 3.11Å; H307-Q364 PolarHBondContact NE2-OE1 2.88Å
308N87.6Confident95.6Very high69 Ų6942.7 Ų42.737%0.36922%0.224SC..THydrogen-bonded Turntrans-99.41.5175.2-56.5-63.6000112.6D306 I310 K422D306-N308 PolarHBondContact O-N 3.48Å; D306-N308 VanDerWaalsContact O-N 3.1Å; D306-N308 VanDerWaalsContact OD1-CA 3.27Å; D306-N308 WeakPolarHBondContact OD1-CA 3.41Å; D306-N308 WeakPolarHBondContact OD1-CB 3.36Å; D306-N308 PolarHBondContact OD1-N 2.77Å; D306-N308 PolarHBondContact OD2-ND2 3.34Å; D306-N308 VanDerWaalsContact OD2-ND2 3.1Å; N308-I310 VanDerWaalsContact C-N 3.29Å; N308-I310 HydrophobicContact CB-CD1 4.23Å; N308-I310 HydrophobicContact CB-CG1 4.29Å; N308-K422 PolarHBondContact OD1-NZ 3.24Å
309G92.8Very high95.6Very high35 Ų3542.2 Ų42.236%0.36122%0.221SC..SBendtrans76.514-175.600000113.8D306D306-G309 PolarHBondContact O-N 3.23Å; D306-G309 PolarHBondContact OD1-N 3.34Å
310I95.1Very high95.5Very high19 Ų1937.6 Ų37.610%0.09720%0.199CC..  trans-81.9125.2172.9-60.3168.2000107.7H305 D306 N308 N341 Y343 T352 Y367H305-I310 CarbonylContact C-O 3.57Å; H305-I310 WeakPolarHBondContact CA-O 3.42Å; D306-I310 PolarHBondContact N-O 3.27Å; D306-I310 WeakPolarHBondContact OD1-CB 3.38Å; D306-I310 PolarHBondContact OD1-N 3.21Å; N308-I310 VanDerWaalsContact C-N 3.29Å; N308-I310 HydrophobicContact CB-CD1 4.23Å; N308-I310 HydrophobicContact CB-CG1 4.29Å; I310-N341 HydrophobicContact CG2-CB 4.11Å; I310-Y343 HydrophobicContact CG1-CD1 4.05Å; I310-T352 HydrophobicContact CD1-CG2 3.78Å; I310-T352 HydrophobicContact CG1-CG2 4.13Å; I310-T352 HydrophobicContact CG2-CG2 3.98Å; I310-T352 WeakPolarHBondContact CG2-OG1 3.37Å; I310-Y367 HydrophobicContact CB-CE2 4.25Å; I310-Y367 HydrophobicContact CD1-CD2 3.89Å; I310-Y367 HydrophobicContact CD1-CE2 3.46Å; I310-Y367 VanDerWaalsContact CD1-CE2 3.46Å; I310-Y367 HydrophobicContact CG1-CE2 4.45Å; I310-Y367 HydrophobicContact CG2-CE1 4Å; I310-Y367 HydrophobicContact CG2-CE2 4.03Å; I310-Y367 WeakPolarHBondContact CG2-OH 3.41Å
311G97Very high95.3Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-128.5170.9179.200000112.8T303 N341 G342T303-G311 CarbonylContact O-C 3.45Å; T303-G311 WeakPolarHBondContact O-CA 3.33Å; G311-N341 CarbonylContact O-C 3.58Å; G311-N341 WeakPolarHBondContact O-CA 3.13Å; G311-G342 PolarHBondContact N-O 3.31Å; G311-G342 PolarHBondContact O-N 3.43Å; G311-G342 VanDerWaalsContact O-O 3.09Å
312T97.5Very high95.2Very high5 Ų532.5 Ų32.53%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-73.2128.2172.6-52.90000110T302 T303 C314 V337 N341T302-T312 CarbonylContact C-O 3.5Å; T302-T312 VanDerWaalsContact CA-O 3.24Å; T302-T312 WeakPolarHBondContact CA-O 3.38Å; T303-T312 PolarHBondContact N-O 3.08Å; T303-T312 PolarHBondContact O-N 3.01Å; T312-C314 PolarHBondContact O-N 3.5Å; T312-V337 HydrophobicContact CG2-CG1 3.64Å; T312-N341 WeakPolarHBondContact CA-OD1 3.34Å; T312-N341 PolarHBondContact OG1-OD1 3.34Å
313I98Very high94.9Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-78.2122.6-177.9-65.7167.9000109.9L300 T302 I315 T338 D340 L349 L351L300-I313 HydrophobicContact CD1-CG2 3.87Å; L300-I313 HydrophobicContact CG-CG2 4.18Å; T302-I313 HydrophobicContact CG2-CG1 4.49Å; I313-I315 HydrophobicContact CG2-CD1 3.74Å; I313-I315 HydrophobicContact CG2-CG1 4.02Å; I313-T338 WeakPolarHBondContact CB-OG1 3.18Å; I313-T338 HydrophobicContact CG2-CG2 4.17Å; I313-T338 PolarHBondContact O-N 3.35Å; I313-T338 PolarHBondContact O-OG1 2.84Å; I313-D340 WeakPolarHBondContact CB-O 3.45Å; I313-D340 HydrophobicContact CD1-CB 4.22Å; I313-D340 PolarHBondContact N-O 3.34Å; I313-L349 HydrophobicContact CD1-CD1 4.02Å; I313-L351 HydrophobicContact CD1-CD2 3.27Å
314C98Very high94.7Very high4 Ų430 Ų303%0.02716%0.159CC..EExtended strand (participates in β ladder)trans-113.1132.8170.4-59.80000109.7L300 K301 T312 W335 F336L300-C314 WeakPolarHBondContact CA-O 3.25Å; K301-C314 HydrophobicContact CG-CB 3.74Å; K301-C314 PolarHBondContact N-O 2.84Å; K301-C314 PolarHBondContact O-N 2.86Å; T312-C314 PolarHBondContact O-N 3.5Å; C314-W335 HydrophobicContact CB-CE3 3.99Å; C314-F336 CarbonylContact C-O 3.55Å; C314-F336 WeakPolarHBondContact CA-O 3.49Å
315I97.7Very high94.4Very high0 Ų024.1 Ų24.10%013%0.128CC..EExtended strand (participates in β ladder)trans-117.1144.4-178-60-59.5000109.7T275 I278 V298 E299 L300 I313 F336 T338T275-I315 HydrophobicContact CG2-CB 4.25Å; T275-I315 HydrophobicContact CG2-CG1 4.45Å; T275-I315 HydrophobicContact CG2-CG2 4.33Å; I278-I315 HydrophobicContact CD1-CD1 4.19Å; I278-I315 HydrophobicContact CD1-CG1 3.78Å; I278-I315 HydrophobicContact CG1-CD1 4.17Å; I278-I315 HydrophobicContact CG1-CG1 3.98Å; I278-I315 HydrophobicContact CG1-CG2 4.4Å; I278-I315 HydrophobicContact CG2-CD1 3.6Å; I278-I315 HydrophobicContact CG2-CG1 4.34Å; V298-I315 HydrophobicContact CG1-CD1 4.32Å; V298-I315 HydrophobicContact CG1-CG2 4.01Å; E299-I315 WeakPolarHBondContact O-CA 3.49Å; L300-I315 HydrophobicContact CB-CD1 3.98Å; L300-I315 HydrophobicContact CD1-CD1 3.72Å; L300-I315 HydrophobicContact CG-CD1 3.84Å; I313-I315 HydrophobicContact CG2-CD1 3.74Å; I313-I315 HydrophobicContact CG2-CG1 4.02Å; I315-F336 PolarHBondContact N-O 3.16Å; I315-F336 PolarHBondContact O-N 3.35Å; I315-T338 HydrophobicContact CB-CG2 4.42Å; I315-T338 HydrophobicContact CG1-CG2 3.66Å
316K97.3Very high93.8Very high39 Ų3922.3 Ų22.317%0.1713%0.126CC..EExtended strand (participates in β ladder)trans-134.1125165-177.5-175.959.8153.30107.7E299 N332 D333 W335E299-K316 HydrophobicContact CB-CB 4.34Å; E299-K316 PolarHBondContact N-O 3.39Å; E299-K316 PolarHBondContact O-N 3.15Å; E299-K316 WeakPolarHBondContact OE1-CE 3.48Å; E299-K316 IonicContact OE1-NZ 3.16Å; E299-K316 PolarHBondContact OE1-NZ 3.22Å; E299-K316 VanDerWaalsContact OE2-CE 3.25Å; E299-K316 WeakPolarHBondContact OE2-CE 3.49Å; E299-K316 IonicContact OE2-NZ 2.79Å; E299-K316 PolarHBondContact OE2-NZ 2.88Å; E299-K316 VanDerWaalsContact OE2-NZ 3.07Å; K316-N332 VanDerWaalsContact CG-O 3.23Å; K316-N332 WeakPolarHBondContact CG-O 3.47Å; K316-D333 VanDerWaalsContact CD-O 3.31Å; K316-D333 WeakPolarHBondContact CD-O 3.38Å; K316-W335 HydrophobicContact CB-CD2 4.05Å; K316-W335 HydrophobicContact CB-CE3 3.82Å; K316-W335 HydrophobicContact CB-CH2 4.38Å; K316-W335 HydrophobicContact CB-CZ3 3.99Å
317S96.6Very high93.4Very high5 Ų526.3 Ų26.34%0.03515%0.145CC..EExtended strand (participates in β ladder)trans-160.5162.5177.173.70000110.8N297 M319 M320N297-S317 WeakPolarHBondContact O-CB 3.44Å; S317-M319 PolarHBondContact O-N 3.05Å; S317-M319 PolarHBondContact OG-N 3.31Å; S317-M320 WeakPolarHBondContact O-CG 3.3Å
318N95.4Very high93Very high54 Ų5428.4 Ų28.429%0.28915%0.154SC..THydrogen-bonded Turntrans-74.52.3170.364.8-21.6000113.9S150 A153S150-N318 WeakPolarHBondContact CA-O 3.49Å; A153-N318 HydrophobicContact CB-CB 4.44Å; A153-N318 VanDerWaalsContact CB-ND2 3.34Å; A153-N318 WeakPolarHBondContact CB-ND2 3.26Å
319M96Very high92.7Very high0 Ų026.5 Ų26.50%015%0.146CC..THydrogen-bonded Turntrans-1047.2178.3-57.9-176.2-74.700113R146 S150 A153 V157 T275 S276 F277 F295 V298 S317R146-M319 PolarHBondContact NH1-O 3.37Å; S150-M319 WeakPolarHBondContact OG-CA 3.43Å; S150-M319 PolarHBondContact OG-O 3.07Å; A153-M319 HydrophobicContact CB-CG 3.84Å; V157-M319 HydrophobicContact CG1-SD 4.21Å; V157-M319 HydrophobicContact CG2-CE 4.46Å; V157-M319 HydrophobicContact CG2-SD 3.63Å; T275-M319 CarbonylContact C-O 3.57Å; S276-M319 WeakPolarHBondContact CB-O 3.33Å; F277-M319 HydrophobicContact CB-CE 4.43Å; F277-M319 HydrophobicContact CD2-SD 4.39Å; F277-M319 WeakPolarHBondContact O-CE 3.44Å; F295-M319 HydrophobicContact CB-CE 4.26Å; V298-M319 HydrophobicContact CG2-CE 3.37Å; S317-M319 PolarHBondContact O-N 3.05Å; S317-M319 PolarHBondContact OG-N 3.31Å
320M95.8Very high92.3Very high1 Ų126.4 Ų26.41%0.00514%0.137CC..  trans-71.3154177.1-63.6-171.6-52.700111.3R146 S150 E274 S317 I330 E334 F336R146-M320 VanDerWaalsContact NH1-C 3.33Å; R146-M320 PolarHBondContact NH1-O 3.08Å; S150-M320 VanDerWaalsContact CB-O 3.31Å; S150-M320 WeakPolarHBondContact CB-O 3.42Å; S150-M320 PolarHBondContact OG-O 3.46Å; E274-M320 CarbonylContact O-C 3.4Å; E274-M320 WeakPolarHBondContact O-CA 3.41Å; S317-M320 WeakPolarHBondContact O-CG 3.3Å; M320-I330 HydrophobicContact CE-CG2 4.39Å; M320-E334 WeakPolarHBondContact CE-O 3.27Å; M320-F336 HydrophobicContact SD-CB 3.71Å
321F95.4Very high91.7Very high0 Ų029.8 Ų29.80%016%0.156CC..  trans-64.6170.3164.276.2-24.4000110.7Y144 Y145 E274 G323 Y324 I330 F336Y144-F321 HydrophobicContact CG-CD2 4.47Å; Y145-F321 WeakPolarHBondContact O-CB 3.3Å; E274-F321 HydrophobicContact CB-CD1 3.81Å; E274-F321 HydrophobicContact CB-CD2 3.78Å; E274-F321 HydrophobicContact CB-CE1 3.74Å; E274-F321 HydrophobicContact CB-CE2 3.75Å; E274-F321 HydrophobicContact CB-CG 3.87Å; E274-F321 HydrophobicContact CB-CZ 3.74Å; E274-F321 HydrophobicContact CG-CD2 3.76Å; E274-F321 HydrophobicContact CG-CE1 4.27Å; E274-F321 HydrophobicContact CG-CE2 3.43Å; E274-F321 VanDerWaalsContact CG-CE2 3.43Å; E274-F321 HydrophobicContact CG-CG 4.38Å; E274-F321 HydrophobicContact CG-CZ 3.72Å; E274-F321 WeakPolarHBondContact O-CB 3.34Å; E274-F321 WeakPolarHBondContact O-CD1 3.43Å; E274-F321 WeakPolarHBondContact O-CG 3.29Å; E274-F321 PolarHBondContact O-N 2.87Å; F321-G323 VanDerWaalsContact C-N 3.35Å; F321-Y324 HydrophobicContact CE2-CD1 4.08Å; F321-Y324 AromaticContact CE2-CD2 3.87Å; F321-Y324 HydrophobicContact CE2-CD2 3.87Å; F321-Y324 AromaticContact CE2-CE1 3.96Å; F321-Y324 HydrophobicContact CE2-CE1 3.96Å; F321-Y324 AromaticContact CE2-CE2 3.73Å; F321-Y324 HydrophobicContact CE2-CE2 3.73Å; F321-Y324 HydrophobicContact CE2-CG 4.05Å; F321-Y324 AromaticContact CE2-CZ 3.81Å; F321-Y324 HydrophobicContact CZ-CD2 4.09Å; F321-Y324 AromaticContact CZ-CE2 3.85Å; F321-Y324 HydrophobicContact CZ-CE2 3.85Å; F321-I330 HydrophobicContact CE1-CD1 3.48Å; F321-I330 VanDerWaalsContact CE1-CD1 3.48Å; F321-I330 HydrophobicContact CZ-CD1 3.65Å; F321-F336 AromaticContact CE1-CD2 3.7Å; F321-F336 HydrophobicContact CE1-CD2 3.7Å; F321-F336 HydrophobicContact CE1-CE1 4.5Å; F321-F336 AromaticContact CE1-CE2 3.61Å; F321-F336 HydrophobicContact CE1-CE2 3.61Å; F321-F336 HydrophobicContact CE1-CG 4.19Å; F321-F336 HydrophobicContact CE1-CZ 4.04Å; F321-F336 HydrophobicContact CZ-CD2 4.04Å; F321-F336 AromaticContact CZ-CE2 3.47Å; F321-F336 HydrophobicContact CZ-CE2 3.47Å; F321-F336 VanDerWaalsContact CZ-CE2 3.47Å; F321-F336 AromaticContact CZ-CZ 3.83Å; F321-F336 HydrophobicContact CZ-CZ 3.83Å
322S93.2Very high90.9Very high8 Ų833.2 Ų33.26%0.05617%0.174CC..  trans-97.99-178.4-41.20000112.3Y125 Y145 D147 C329 I330Y125-S322 WeakPolarHBondContact CE1-O 3.47Å; Y145-S322 PolarHBondContact O-N 3.31Å; D147-S322 PolarHBondContact OD1-OG 2.94Å; D147-S322 PolarHBondContact OD2-OG 2.99Å; S322-C329 WeakPolarHBondContact O-CA 3.22Å; S322-C329 PolarHBondContact O-SG 2.82Å; S322-I330 PolarHBondContact O-N 2.87Å
323G92Very high90.3Very high0 Ų039.7 Ų39.70%021%0.208CC..  trans114.8175-179.800000113.8Y144 Y145 F321Y144-G323 WeakPolarHBondContact CA-O 3.34Å; Y145-G323 PolarHBondContact N-O 3.49Å; F321-G323 VanDerWaalsContact C-N 3.35Å
324Y91.8Very high89.9Confident27 Ų2743.1 Ų43.111%0.10622%0.224CC..BIsolated β-bridgetrans-87.2149.2175.7-63.9-75.7000111.2T134 K142 A143 E274 F321 S326 E327T134-Y324 HydrophobicContact CG2-CE1 3.87Å; K142-Y324 HydrophobicContact CB-CD1 3.86Å; K142-Y324 HydrophobicContact CB-CE1 3.91Å; K142-Y324 HydrophobicContact CD-CD1 4.23Å; K142-Y324 HydrophobicContact CD-CE1 4.03Å; A143-Y324 WeakPolarHBondContact O-CA 3.33Å; E274-Y324 HydrophobicContact CG-CE1 4.23Å; E274-Y324 HydrophobicContact CG-CE2 4.45Å; E274-Y324 VanDerWaalsContact CG-OH 3.25Å; E274-Y324 WeakPolarHBondContact CG-OH 3.3Å; E274-Y324 PolarHBondContact OE1-OH 3.34Å; F321-Y324 HydrophobicContact CE2-CD1 4.08Å; F321-Y324 AromaticContact CE2-CD2 3.87Å; F321-Y324 HydrophobicContact CE2-CD2 3.87Å; F321-Y324 AromaticContact CE2-CE1 3.96Å; F321-Y324 HydrophobicContact CE2-CE1 3.96Å; F321-Y324 AromaticContact CE2-CE2 3.73Å; F321-Y324 HydrophobicContact CE2-CE2 3.73Å; F321-Y324 HydrophobicContact CE2-CG 4.05Å; F321-Y324 AromaticContact CE2-CZ 3.81Å; F321-Y324 HydrophobicContact CZ-CD2 4.09Å; F321-Y324 AromaticContact CZ-CE2 3.85Å; F321-Y324 HydrophobicContact CZ-CE2 3.85Å; Y324-S326 PolarHBondContact O-N 3.46Å; Y324-E327 WeakPolarHBondContact CD2-OE2 3.47Å; Y324-E327 PolarHBondContact O-N 3.47Å; Y324-E327 VanDerWaalsContact O-N 3.07Å
325V89.5Confident89.8Confident5 Ų547.3 Ų47.33%0.0324%0.239CC..THydrogen-bonded Turntrans-61131.8173.7179.50000109.6Y96 I117 I131 A143 Y145 E327Y96-V325 HydrophobicContact CD1-CB 3.86Å; Y96-V325 HydrophobicContact CD1-CG1 3.6Å; Y96-V325 HydrophobicContact CE1-CB 3.83Å; Y96-V325 HydrophobicContact CE1-CG1 4.04Å; I117-V325 HydrophobicContact CD1-CG1 3.57Å; I117-V325 HydrophobicContact CD1-CG2 4.2Å; I117-V325 HydrophobicContact CG1-CG1 3.67Å; I131-V325 HydrophobicContact CG2-CG2 3.99Å; A143-V325 HydrophobicContact CB-CB 3.92Å; A143-V325 HydrophobicContact CB-CG2 3.48Å; A143-V325 VanDerWaalsContact CB-CG2 3.48Å; A143-V325 PolarHBondContact O-N 3.19Å; Y145-V325 HydrophobicContact CD1-CG2 4.4Å; Y145-V325 HydrophobicContact CD2-CG2 4.48Å; Y145-V325 HydrophobicContact CE1-CG2 3.89Å; Y145-V325 HydrophobicContact CE2-CB 4.34Å; Y145-V325 HydrophobicContact CE2-CG2 4Å; V325-E327 PolarHBondContact O-N 3.01Å
326S81.9Confident89.7Confident64 Ų6448.2 Ų48.245%0.44824%0.244SC..THydrogen-bonded Turntrans68.910.5-175.8-47.70000115.5M115 Y324M115-S326 WeakPolarHBondContact CE-OG 3.41Å; Y324-S326 PolarHBondContact O-N 3.46Å
327E84.7Confident89.6Confident104 Ų10449.3 Ų49.349%0.48625%0.253SS..SBendtrans-111176.3167.5-58.2-176.4-158.700109.7K142 Y324 V325K142-E327 IonicContact NZ-OE1 2.82Å; Y324-E327 WeakPolarHBondContact CD2-OE2 3.47Å; Y324-E327 PolarHBondContact O-N 3.47Å; Y324-E327 VanDerWaalsContact O-N 3.07Å; V325-E327 PolarHBondContact O-N 3.01Å
328Q79Confident89.5Confident157 Ų15749.3 Ų49.373%0.73425%0.253SS*.  trans-68.1141.3179.7-172.1178.1-18.300111.2
329C81.3Confident89.3Confident29 Ų2950 Ų5020%0.19626%0.257CS..  trans-59.9141.7171.6-177.90000110.5Y125 S322Y125-C329 HydrophobicContact CE1-CB 4.07Å; Y125-C329 WeakPolarHBondContact CE1-SG 2.74Å; Y125-C329 WeakPolarHBondContact OH-CB 3.2Å; S322-C329 WeakPolarHBondContact O-CA 3.22Å; S322-C329 PolarHBondContact O-SG 2.82Å
330I84.3Confident89.2Confident33 Ų3350.5 Ų50.517%0.16926%0.26CS..  trans-114.1123.7177.2-63.4173.4000108.1M320 F321 S322 E334 F336M320-I330 HydrophobicContact CE-CG2 4.39Å; F321-I330 HydrophobicContact CE1-CD1 3.48Å; F321-I330 VanDerWaalsContact CE1-CD1 3.48Å; F321-I330 HydrophobicContact CZ-CD1 3.65Å; S322-I330 PolarHBondContact O-N 2.87Å; I330-E334 HydrophobicContact CG2-CB 4.42Å; I330-F336 HydrophobicContact CD1-CD2 3.74Å; I330-F336 HydrophobicContact CD1-CE2 4.06Å
331N83.5Confident89.2Confident91 Ų9150.8 Ų50.849%0.48726%0.261SS..  trans-93.6159.6177.1-56.4-74.8000111.5D333 E334N331-D333 PolarHBondContact O-N 3.38Å; N331-D333 VanDerWaalsContact O-N 3.1Å; N331-E334 HydrophobicContact CB-CG 4.39Å; N331-E334 PolarHBondContact N-OE2 2.95Å; N331-E334 PolarHBondContact ND2-OE2 3.02Å; N331-E334 WeakPolarHBondContact O-CB 3.31Å; N331-E334 PolarHBondContact O-N 2.87Å
332N80.5Confident89.3Confident71 Ų7150.8 Ų50.838%0.3826%0.261SS..THydrogen-bonded Turntrans-61.5-21.1-179-69.7-20.7000114.2K316K316-N332 VanDerWaalsContact CG-O 3.23Å; K316-N332 WeakPolarHBondContact CG-O 3.47Å
333D84.4Confident89.5Confident141 Ų14154.3 Ų54.375%0.75427%0.274SS*.THydrogen-bonded Turntrans-85.3-8.2178-66-44000113.5K316 N331K316-D333 VanDerWaalsContact CD-O 3.31Å; K316-D333 WeakPolarHBondContact CD-O 3.38Å; N331-D333 PolarHBondContact O-N 3.38Å; N331-D333 VanDerWaalsContact O-N 3.1Å
334E90.6Very high89.7Confident73 Ų7357.6 Ų57.634%0.34129%0.294SS..SBendtrans-91.2150.4-177.1-64.5-177.697.100111.9M320 I330 N331M320-E334 WeakPolarHBondContact CE-O 3.27Å; I330-E334 HydrophobicContact CG2-CB 4.42Å; N331-E334 HydrophobicContact CB-CG 4.39Å; N331-E334 PolarHBondContact N-OE2 2.95Å; N331-E334 PolarHBondContact ND2-OE2 3.02Å; N331-E334 WeakPolarHBondContact O-CB 3.31Å; N331-E334 PolarHBondContact O-N 2.87Å
335W95.6Very high90Very high91 Ų9161.4 Ų61.435%0.34531%0.311SS..PPolyproline II helixtrans-84.7121.2174.7-71.692.8000110.1E299 K301 C314 K316E299-W335 HydrophobicContact CB-CH2 3.87Å; E299-W335 HydrophobicContact CB-CZ3 4.29Å; K301-W335 HydrophobicContact CB-CH2 4.07Å; K301-W335 HydrophobicContact CB-CZ3 4.05Å; K301-W335 HydrophobicContact CD-CD2 3.76Å; K301-W335 HydrophobicContact CD-CE3 3.87Å; K301-W335 HydrophobicContact CD-CG 4.4Å; K301-W335 HydrophobicContact CD-CH2 3.99Å; K301-W335 HydrophobicContact CD-CZ2 3.9Å; K301-W335 HydrophobicContact CD-CZ3 3.99Å; K301-W335 HydrophobicContact CG-CD2 4.2Å; K301-W335 HydrophobicContact CG-CE3 3.77Å; K301-W335 HydrophobicContact CG-CH2 3.98Å; K301-W335 HydrophobicContact CG-CZ2 4.4Å; K301-W335 HydrophobicContact CG-CZ3 3.66Å; C314-W335 HydrophobicContact CB-CE3 3.99Å; K316-W335 HydrophobicContact CB-CD2 4.05Å; K316-W335 HydrophobicContact CB-CE3 3.82Å; K316-W335 HydrophobicContact CB-CH2 4.38Å; K316-W335 HydrophobicContact CB-CZ3 3.99Å
336F95.7Very high90.2Very high20 Ų2067.5 Ų67.59%0.08834%0.339CS..EExtended strand (participates in β ladder)trans-93.8129.7173.7-179.2-109.6000111.9E274 T275 C314 I315 M320 F321 I330 T338E274-F336 HydrophobicContact CB-CD1 4.23Å; E274-F336 HydrophobicContact CB-CE1 3.46Å; E274-F336 VanDerWaalsContact CB-CE1 3.46Å; E274-F336 HydrophobicContact CB-CZ 3.63Å; E274-F336 HydrophobicContact CG-CE1 4Å; E274-F336 HydrophobicContact CG-CZ 3.72Å; T275-F336 HydrophobicContact CG2-CD1 3.7Å; T275-F336 HydrophobicContact CG2-CE1 4.14Å; C314-F336 CarbonylContact C-O 3.55Å; C314-F336 WeakPolarHBondContact CA-O 3.49Å; I315-F336 PolarHBondContact N-O 3.16Å; I315-F336 PolarHBondContact O-N 3.35Å; M320-F336 HydrophobicContact SD-CB 3.71Å; F321-F336 AromaticContact CE1-CD2 3.7Å; F321-F336 HydrophobicContact CE1-CD2 3.7Å; F321-F336 HydrophobicContact CE1-CE1 4.5Å; F321-F336 AromaticContact CE1-CE2 3.61Å; F321-F336 HydrophobicContact CE1-CE2 3.61Å; F321-F336 HydrophobicContact CE1-CG 4.19Å; F321-F336 HydrophobicContact CE1-CZ 4.04Å; F321-F336 HydrophobicContact CZ-CD2 4.04Å; F321-F336 AromaticContact CZ-CE2 3.47Å; F321-F336 HydrophobicContact CZ-CE2 3.47Å; F321-F336 VanDerWaalsContact CZ-CE2 3.47Å; F321-F336 AromaticContact CZ-CZ 3.83Å; F321-F336 HydrophobicContact CZ-CZ 3.83Å; I330-F336 HydrophobicContact CD1-CD2 3.74Å; I330-F336 HydrophobicContact CD1-CE2 4.06Å; F336-T338 HydrophobicContact CD1-CG2 4.34Å
337V95Very high90.9Very high61 Ų6171.8 Ų71.837%0.3735%0.352SS..EExtended strand (participates in β ladder)trans-86.7113.4175.4-1760000109.6T312 N339T312-V337 HydrophobicContact CG2-CG1 3.64Å; V337-N339 VanDerWaalsContact C-N 3.28Å; V337-N339 PolarHBondContact O-N 2.64Å
338T93.2Very high91.5Very high5 Ų569.7 Ų69.73%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-73.6-19.5-175.760.40000113.9T275 I278 I313 I315 F336 D340 R354T275-T338 HydrophobicContact CG2-CG2 4.17Å; I278-T338 HydrophobicContact CD1-CG2 4.27Å; I313-T338 WeakPolarHBondContact CB-OG1 3.18Å; I313-T338 HydrophobicContact CG2-CG2 4.17Å; I313-T338 PolarHBondContact O-N 3.35Å; I313-T338 PolarHBondContact O-OG1 2.84Å; I315-T338 HydrophobicContact CB-CG2 4.42Å; I315-T338 HydrophobicContact CG1-CG2 3.66Å; F336-T338 HydrophobicContact CD1-CG2 4.34Å; T338-D340 PolarHBondContact O-N 3.06Å; T338-D340 PolarHBondContact OG1-N 2.79Å; T338-D340 VanDerWaalsContact OG1-N 3.13Å; T338-R354 PolarHBondContact O-NH1 2.79Å
339N92.3Very high92.4Very high70 Ų7062.3 Ų62.337%0.37431%0.305SS..EExtended strand (participates in β ladder)trans6216.5-166.3-52.4-64.1000113.8V337 R354 Q355V337-N339 VanDerWaalsContact C-N 3.28Å; V337-N339 PolarHBondContact O-N 2.64Å; N339-R354 WeakPolarHBondContact O-CA 3.45Å; N339-R354 WeakPolarHBondContact O-CD 3.28Å; N339-Q355 PolarHBondContact O-N 2.86Å
340D93.9Very high93.1Very high10 Ų1062.3 Ų62.35%0.05330%0.301CS..EExtended strand (participates in β ladder)trans-93.4142.1165.3-67-69.9000109.4I313 T338 R354I313-D340 WeakPolarHBondContact CB-O 3.45Å; I313-D340 HydrophobicContact CD1-CB 4.22Å; I313-D340 PolarHBondContact N-O 3.34Å; T338-D340 PolarHBondContact O-N 3.06Å; T338-D340 PolarHBondContact OG1-N 2.79Å; T338-D340 VanDerWaalsContact OG1-N 3.13Å; D340-R354 VanDerWaalsContact OD1-CD 3.23Å; D340-R354 WeakPolarHBondContact OD1-CD 3.31Å; D340-R354 IonicContact OD1-CZ 2.77Å; D340-R354 VanDerWaalsContact OD1-CZ 3.27Å; D340-R354 IonicContact OD1-NE 3.98Å; D340-R354 PolarHBondContact OD1-NE 3.01Å; D340-R354 IonicContact OD1-NH2 2.81Å; D340-R354 IonicContact OD2-CZ 3.6Å; D340-R354 IonicContact OD2-NE 2.76Å; D340-R354 IonicContact OD2-NH1 3.48Å; D340-R354 IonicContact OD2-NH2 3.61Å; D340-R354 PolarHBondContact OD2-NH2 3.27Å
341N96Very high93.6Very high6 Ų662.2 Ų62.23%0.03230%0.301CS..EExtended strand (participates in β ladder)trans-102145.2172.2-73.2-39.6000110I310 G311 T312 T352 G353 Q355 Y367I310-N341 HydrophobicContact CG2-CB 4.11Å; G311-N341 CarbonylContact O-C 3.58Å; G311-N341 WeakPolarHBondContact O-CA 3.13Å; T312-N341 WeakPolarHBondContact CA-OD1 3.34Å; T312-N341 PolarHBondContact OG1-OD1 3.34Å; N341-T352 VanDerWaalsContact C-OG1 3.26Å; N341-T352 WeakPolarHBondContact CB-OG1 3.36Å; N341-T352 PolarHBondContact O-N 2.92Å; N341-T352 PolarHBondContact O-OG1 2.85Å; N341-T352 VanDerWaalsContact O-OG1 3.06Å; N341-G353 PolarHBondContact N-O 3.01Å; N341-Q355 WeakPolarHBondContact ND2-CA 3.24Å; N341-Y367 HydrophobicContact CB-CD1 4.32Å; N341-Y367 HydrophobicContact CB-CE1 3.79Å
342G96.5Very high94Very high0 Ų058.5 Ų58.50%028%0.282CS..EExtended strand (participates in β ladder)trans178.3-170-179.200000113.4G311 Y350G311-G342 PolarHBondContact N-O 3.31Å; G311-G342 PolarHBondContact O-N 3.43Å; G311-G342 VanDerWaalsContact O-O 3.09Å; G342-Y350 CarbonylContact C-O 3.59Å; G342-Y350 WeakPolarHBondContact CA-O 3.48Å
343Y97.1Very high94.5Very high82 Ų8255.7 Ų55.732%0.32227%0.27SS..EExtended strand (participates in β ladder)trans-153.8159.8178.961.8-84.6000110.3I310 K345 Y350 T352I310-Y343 HydrophobicContact CG1-CD1 4.05Å; Y343-K345 HydrophobicContact CD2-CB 4.09Å; Y343-K345 HydrophobicContact CE2-CB 3.98Å; Y343-Y350 HydrophobicContact CD2-CD2 4.15Å; Y343-Y350 HydrophobicContact CE1-CG 4.4Å; Y343-Y350 AromaticContact CE2-CD2 3.66Å; Y343-Y350 HydrophobicContact CE2-CD2 3.66Å; Y343-Y350 HydrophobicContact CE2-CE2 4.37Å; Y343-Y350 AromaticContact CE2-CG 3.86Å; Y343-Y350 HydrophobicContact CE2-CG 3.86Å; Y343-Y350 AromaticContact CZ-CG 3.79Å; Y343-Y350 PolarHBondContact N-O 3.24Å; Y343-Y350 PolarHBondContact O-N 2.62Å; Y343-T352 HydrophobicContact CD1-CG2 4.23Å; Y343-T352 HydrophobicContact CE1-CG2 4.11Å
344V97.6Very high94.8Very high70 Ų7053 Ų5342%0.42425%0.249SC..EExtended strand (participates in β ladder)trans-105.1131.6171.7178.20000108.7L300 Y348 L349L300-V344 HydrophobicContact CD2-CG2 3.81Å; V344-Y348 WeakPolarHBondContact CA-O 3.5Å; V344-L349 HydrophobicContact CG2-CD1 4.1Å
345K97Very high94.8Very high107 Ų10753.5 Ų53.547%0.46525%0.251SS..EExtended strand (participates in β ladder)trans-138.2128.5173.5179.2-174.4175.8-166.30108.9Y343 Q347 Y348 Y350Y343-K345 HydrophobicContact CD2-CB 4.09Å; Y343-K345 HydrophobicContact CE2-CB 3.98Å; K345-Q347 VanDerWaalsContact C-N 3.26Å; K345-Q347 PolarHBondContact O-N 3.14Å; K345-Y348 PolarHBondContact N-O 2.82Å; K345-Y348 PolarHBondContact O-N 2.78Å; K345-Y350 HydrophobicContact CB-CD2 4.27Å; K345-Y350 HydrophobicContact CB-CE2 3.9Å
346E95.1Very high94.4Very high133 Ų13354.4 Ų54.462%0.62126%0.259SS*.THydrogen-bonded Turntrans53.143.5178.7-63.4163.8-154.800112.1Y348E346-Y348 HydrophobicContact CB-CD2 4.17Å; E346-Y348 HydrophobicContact CB-CE2 4.36Å; E346-Y348 WeakPolarHBondContact O-CD2 3.34Å; E346-Y348 WeakPolarHBondContact O-CE2 3.16Å; E346-Y348 PolarHBondContact O-N 2.87Å; E346-Y348 VanDerWaalsContact O-N 3.14Å
347Q95.5Very high94.2Very high153 Ų15354.8 Ų54.872%0.71526%0.263SS*.THydrogen-bonded Turntrans69.2-7.9-175.1-43.2-57.986.500116.3K345K345-Q347 VanDerWaalsContact C-N 3.26Å; K345-Q347 PolarHBondContact O-N 3.14Å
348Y97.8Very high94.1Very high61 Ų6154.2 Ų54.224%0.23926%0.257CS..EExtended strand (participates in β ladder)trans-92.1136.2179.3-51.8-64.4000111.7A286 P287 G292 V293 V344 K345 E346 Y350A286-Y348 HydrophobicContact CB-CD1 3.39Å; A286-Y348 HydrophobicContact CB-CE1 3.41Å; A286-Y348 VanDerWaalsContact CB-CE1 3.41Å; A286-Y348 HydrophobicContact CB-CG 4.31Å; P287-Y348 VanDerWaalsContact CD-CD2 3.47Å; P287-Y348 HydrophobicContact CG-CD2 3.82Å; P287-Y348 HydrophobicContact CG-CE2 3.99Å; P287-Y348 HydrophobicContact CG-CG 4.31Å; G292-Y348 CarbonylContact O-C 3.56Å; G292-Y348 WeakPolarHBondContact O-CA 3.47Å; V293-Y348 HydrophobicContact CG1-CD1 3.61Å; V293-Y348 HydrophobicContact CG1-CE1 3.71Å; V344-Y348 WeakPolarHBondContact CA-O 3.5Å; K345-Y348 PolarHBondContact N-O 2.82Å; K345-Y348 PolarHBondContact O-N 2.78Å; E346-Y348 HydrophobicContact CB-CD2 4.17Å; E346-Y348 HydrophobicContact CB-CE2 4.36Å; E346-Y348 WeakPolarHBondContact O-CD2 3.34Å; E346-Y348 WeakPolarHBondContact O-CE2 3.16Å; E346-Y348 PolarHBondContact O-N 2.87Å; E346-Y348 VanDerWaalsContact O-N 3.14Å; Y348-Y350 WeakPolarHBondContact O-CD2 3.33Å; Y348-Y350 WeakPolarHBondContact O-CE2 3.41Å
349L98Very high94.1Very high1 Ų154.6 Ų54.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-86.2130.8175.3176.561.1000110.4F270 I278 S290 V291 G292 L294 L300 I313 V344 L351F270-L349 HydrophobicContact CD1-CD2 4.12Å; F270-L349 HydrophobicContact CE1-CD2 4.32Å; I278-L349 HydrophobicContact CG2-CD2 3.98Å; S290-L349 CarbonylContact C-O 3.55Å; S290-L349 WeakPolarHBondContact CA-O 3.34Å; S290-L349 WeakPolarHBondContact CB-O 3.43Å; V291-L349 HydrophobicContact CG2-CB 3.8Å; V291-L349 HydrophobicContact CG2-CD2 3.67Å; V291-L349 HydrophobicContact CG2-CG 3.54Å; V291-L349 WeakPolarHBondContact CG2-O 3.15Å; V291-L349 PolarHBondContact N-O 2.94Å; G292-L349 PolarHBondContact O-N 3.2Å; L294-L349 HydrophobicContact CD2-CD2 4.33Å; L300-L349 HydrophobicContact CD1-CD1 3.68Å; L300-L349 HydrophobicContact CD1-CD2 3.76Å; L300-L349 HydrophobicContact CD1-CG 4.31Å; I313-L349 HydrophobicContact CD1-CD1 4.02Å; V344-L349 HydrophobicContact CG2-CD1 4.1Å; L349-L351 HydrophobicContact CD2-CD2 4.49Å; L349-L351 HydrophobicContact CG-CD2 4.42Å
350Y95.9Very high94.1Very high29 Ų2955.4 Ų55.411%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-117.7129.2175.9-65.3-94.9000110.3P287 E289 G342 Y343 K345 Y348P287-Y350 WeakPolarHBondContact CG-OH 3.49Å; E289-Y350 HydrophobicContact CB-CE1 4.47Å; G342-Y350 CarbonylContact C-O 3.59Å; G342-Y350 WeakPolarHBondContact CA-O 3.48Å; Y343-Y350 HydrophobicContact CD2-CD2 4.15Å; Y343-Y350 HydrophobicContact CE1-CG 4.4Å; Y343-Y350 AromaticContact CE2-CD2 3.66Å; Y343-Y350 HydrophobicContact CE2-CD2 3.66Å; Y343-Y350 HydrophobicContact CE2-CE2 4.37Å; Y343-Y350 AromaticContact CE2-CG 3.86Å; Y343-Y350 HydrophobicContact CE2-CG 3.86Å; Y343-Y350 AromaticContact CZ-CG 3.79Å; Y343-Y350 PolarHBondContact N-O 3.24Å; Y343-Y350 PolarHBondContact O-N 2.62Å; K345-Y350 HydrophobicContact CB-CD2 4.27Å; K345-Y350 HydrophobicContact CB-CE2 3.9Å; Y348-Y350 WeakPolarHBondContact O-CD2 3.33Å; Y348-Y350 WeakPolarHBondContact O-CE2 3.41Å
351L94.8Very high94.1Very high31 Ų3155.4 Ų55.416%0.16226%0.262CS..EExtended strand (participates in β ladder)trans-99.9128.8175.9-58.4-177.9000111.1F270 V291 I313 L349 R373F270-L351 HydrophobicContact CD1-CD1 4.04Å; F270-L351 HydrophobicContact CD1-CD2 4.44Å; F270-L351 HydrophobicContact CD2-CD1 3.64Å; F270-L351 HydrophobicContact CE1-CD1 3.88Å; F270-L351 HydrophobicContact CE1-CD2 3.86Å; F270-L351 HydrophobicContact CE1-CG 4.42Å; F270-L351 HydrophobicContact CE2-CD1 3.48Å; F270-L351 VanDerWaalsContact CE2-CD1 3.48Å; F270-L351 HydrophobicContact CG-CD1 3.93Å; F270-L351 HydrophobicContact CZ-CD1 3.6Å; F270-L351 HydrophobicContact CZ-CD2 4.03Å; F270-L351 HydrophobicContact CZ-CG 4.47Å; V291-L351 HydrophobicContact CG1-CD1 3.75Å; V291-L351 HydrophobicContact CG1-CG 3.98Å; V291-L351 HydrophobicContact CG2-CD1 4.26Å; V291-L351 HydrophobicContact CG2-CD2 4.45Å; V291-L351 HydrophobicContact CG2-CG 3.93Å; I313-L351 HydrophobicContact CD1-CD2 3.27Å; L349-L351 HydrophobicContact CD2-CD2 4.49Å; L349-L351 HydrophobicContact CG-CD2 4.42Å; L351-R373 PolarHBondContact O-NH2 3.41Å; L351-R373 VanDerWaalsContact O-NH2 3.12Å
352T92.2Very high93.8Very high13 Ų1357 Ų578%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-99.4-27.3178.858.60000112.1I310 N341 Y343 Y367I310-T352 HydrophobicContact CD1-CG2 3.78Å; I310-T352 HydrophobicContact CG1-CG2 4.13Å; I310-T352 HydrophobicContact CG2-CG2 3.98Å; I310-T352 WeakPolarHBondContact CG2-OG1 3.37Å; N341-T352 VanDerWaalsContact C-OG1 3.26Å; N341-T352 WeakPolarHBondContact CB-OG1 3.36Å; N341-T352 PolarHBondContact O-N 2.92Å; N341-T352 PolarHBondContact O-OG1 2.85Å; N341-T352 VanDerWaalsContact O-OG1 3.06Å; Y343-T352 HydrophobicContact CD1-CG2 4.23Å; Y343-T352 HydrophobicContact CE1-CG2 4.11Å; T352-Y367 WeakPolarHBondContact OG1-CD1 3.39Å
353G90Very high93.4Very high13 Ų1359.9 Ų59.913%0.13431%0.309CS..EExtended strand (participates in β ladder)trans150.8-172.7175.400000112.1N341N341-G353 PolarHBondContact N-O 3.01Å
354R90.4Very high93.1Very high85 Ų8558.9 Ų58.932%0.32131%0.307SS..EExtended strand (participates in β ladder)trans-81.3148.4175.6-69.1-78.1171.7156.7-6.2111.2T338 N339 D340 Q356 D357 M358T338-R354 PolarHBondContact O-NH1 2.79Å; N339-R354 WeakPolarHBondContact O-CA 3.45Å; N339-R354 WeakPolarHBondContact O-CD 3.28Å; D340-R354 VanDerWaalsContact OD1-CD 3.23Å; D340-R354 WeakPolarHBondContact OD1-CD 3.31Å; D340-R354 IonicContact OD1-CZ 2.77Å; D340-R354 VanDerWaalsContact OD1-CZ 3.27Å; D340-R354 IonicContact OD1-NE 3.98Å; D340-R354 PolarHBondContact OD1-NE 3.01Å; D340-R354 IonicContact OD1-NH2 2.81Å; D340-R354 IonicContact OD2-CZ 3.6Å; D340-R354 IonicContact OD2-NE 2.76Å; D340-R354 IonicContact OD2-NH1 3.48Å; D340-R354 IonicContact OD2-NH2 3.61Å; D340-R354 PolarHBondContact OD2-NH2 3.27Å; R354-Q356 VanDerWaalsContact C-N 3.31Å; R354-Q356 HydrophobicContact CB-CG 4.18Å; R354-Q356 PolarHBondContact O-N 3.46Å; R354-D357 HydrophobicContact CB-CB 4.28Å; R354-D357 WeakPolarHBondContact CB-OD2 3.23Å; R354-D357 PolarHBondContact O-N 2.9Å; R354-D357 VanDerWaalsContact O-N 3.12Å; R354-M358 PolarHBondContact O-N 2.87Å
355Q90.3Very high92.8Very high82 Ų8257.6 Ų57.638%0.38330%0.298SS..G310 helixtrans-57.8-43.1177.5-176.5177.7-21.800112.5N339 N341 D357 M358N339-Q355 PolarHBondContact O-N 2.86Å; N341-Q355 WeakPolarHBondContact ND2-CA 3.24Å; Q355-D357 PolarHBondContact O-N 3.03Å; Q355-M358 WeakPolarHBondContact O-CB 3.38Å; Q355-M358 PolarHBondContact O-N 2.95Å
356Q88.4Confident92.7Very high110 Ų11053 Ų5351%0.51428%0.278SS..G310 helixtrans-68.1-19.7179.171.3-165.927.400114.1R354R354-Q356 VanDerWaalsContact C-N 3.31Å; R354-Q356 HydrophobicContact CB-CG 4.18Å; R354-Q356 PolarHBondContact O-N 3.46Å
357D90.9Very high92.6Very high29 Ų2947.2 Ų47.216%0.15525%0.251CS..G310 helixtrans-92.2-7.9-179.2-66-31.6000112.4R354 Q355 P368 R446R354-D357 HydrophobicContact CB-CB 4.28Å; R354-D357 WeakPolarHBondContact CB-OD2 3.23Å; R354-D357 PolarHBondContact O-N 2.9Å; R354-D357 VanDerWaalsContact O-N 3.12Å; Q355-D357 PolarHBondContact O-N 3.03Å; D357-P368 VanDerWaalsContact O-CD 3.29Å; D357-P368 WeakPolarHBondContact O-CD 3.4Å; D357-P368 WeakPolarHBondContact O-CG 3.49Å; D357-R446 IonicContact OD1-CZ 2.9Å; D357-R446 IonicContact OD1-NE 3.68Å; D357-R446 IonicContact OD1-NH1 3.03Å; D357-R446 PolarHBondContact OD1-NH1 3.22Å; D357-R446 IonicContact OD2-CZ 3.72Å; D357-R446 IonicContact OD2-NH1 3.67Å; D357-R446 PolarHBondContact OD2-NH1 2.92Å
358M93.5Very high92.6Very high49 Ų4940 Ų4024%0.24122%0.217CC..  trans-67.4134.1-179.7-172.3-176.773.200110.4R354 Q355 I360 N365 I366 Y367R354-M358 PolarHBondContact O-N 2.87Å; Q355-M358 WeakPolarHBondContact O-CB 3.38Å; Q355-M358 PolarHBondContact O-N 2.95Å; M358-I360 HydrophobicContact CE-CG1 4.49Å; M358-N365 HydrophobicContact CG-CB 4.32Å; M358-N365 HydrophobicContact SD-CB 3.78Å; M358-I366 WeakPolarHBondContact CA-O 3.35Å; M358-I366 WeakPolarHBondContact CG-O 3.5Å; M358-Y367 HydrophobicContact CB-CE1 4.47Å; M358-Y367 HydrophobicContact CG-CD1 4.16Å; M358-Y367 HydrophobicContact CG-CE1 3.89Å; M358-Y367 HydrophobicContact SD-CE1 3.7Å
359L94Very high92.2Very high13 Ų1337.9 Ų37.97%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-102.4151175.4-51.9-178.6000110.3I361 I366 P368 I386L359-I361 HydrophobicContact CB-CD1 4.39Å; L359-I361 HydrophobicContact CB-CG1 4.21Å; L359-I361 HydrophobicContact CD1-CD1 4.32Å; L359-I366 HydrophobicContact CB-CB 4.27Å; L359-I366 PolarHBondContact N-O 3.22Å; L359-I366 PolarHBondContact O-N 3.07Å; L359-P368 HydrophobicContact CD1-CG 3.82Å; L359-P368 HydrophobicContact CG-CG 3.7Å; L359-I386 HydrophobicContact CD1-CG2 4.11Å
360I92.3Very high91.8Very high86 Ų8640.5 Ų40.544%0.44122%0.224SC..EExtended strand (participates in β ladder)trans-114.999.5173-56.1176.4000108.2M358 Q364 Q396M358-I360 HydrophobicContact CE-CG1 4.49Å; I360-Q364 WeakPolarHBondContact CA-O 3.46Å; I360-Q396 VanDerWaalsContact N-OE1 3.08Å
361I93.1Very high91.7Very high11 Ų1139.1 Ų39.16%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-110.9110.7-176.2-60.5-179.9000108.8L359 G363 Q364 I366 F394 Q396 G398 Y424L359-I361 HydrophobicContact CB-CD1 4.39Å; L359-I361 HydrophobicContact CB-CG1 4.21Å; L359-I361 HydrophobicContact CD1-CD1 4.32Å; I361-G363 PolarHBondContact O-N 2.83Å; I361-Q364 PolarHBondContact N-O 3.09Å; I361-Q364 WeakPolarHBondContact O-CB 3.48Å; I361-Q364 PolarHBondContact O-N 2.88Å; I361-Q364 VanDerWaalsContact O-N 3.08Å; I361-I366 HydrophobicContact CB-CG1 4.05Å; I361-I366 HydrophobicContact CD1-CG1 4.1Å; I361-I366 HydrophobicContact CG1-CG1 4.15Å; I361-F394 HydrophobicContact CG2-CB 4.35Å; I361-Q396 HydrophobicContact CG1-CB 4.35Å; I361-Q396 WeakPolarHBondContact CG2-O 3.36Å; I361-G398 VanDerWaalsContact CD1-N 3.33Å; I361-Y424 HydrophobicContact CG2-CD1 4.42Å
362G89.4Confident91.6Very high38 Ų3838.5 Ų38.539%0.39222%0.215SC..THydrogen-bonded Turntrans59.934.4-178.900000113.3Q364 F394G362-Q364 VanDerWaalsContact C-N 3.28Å; G362-Q364 PolarHBondContact O-N 3.13Å; G362-F394 PolarHBondContact N-O 3.19Å
363G87.8Confident91.3Very high61 Ų6141.1 Ų41.163%0.62922%0.223SC*.THydrogen-bonded Turntrans77.96.1-176.700000115I361I361-G363 PolarHBondContact O-N 2.83Å
364Q91Very high91.3Very high62 Ų6241.3 Ų41.329%0.2922%0.221SC..EExtended strand (participates in β ladder)trans-101132.1177.2-60.4-72.5-39.300110.1H307 I360 I361 G362 I366 Y424H307-Q364 PolarHBondContact CE1-OE1 3.11Å; H307-Q364 PolarHBondContact NE2-OE1 2.88Å; I360-Q364 WeakPolarHBondContact CA-O 3.46Å; I361-Q364 PolarHBondContact N-O 3.09Å; I361-Q364 WeakPolarHBondContact O-CB 3.48Å; I361-Q364 PolarHBondContact O-N 2.88Å; I361-Q364 VanDerWaalsContact O-N 3.08Å; G362-Q364 VanDerWaalsContact C-N 3.28Å; G362-Q364 PolarHBondContact O-N 3.13Å; Q364-I366 HydrophobicContact CB-CD1 4.12Å; Q364-I366 PolarHBondContact O-N 3.06Å; Q364-Y424 HydrophobicContact CG-CD2 4.22Å; Q364-Y424 HydrophobicContact CG-CG 4.33Å
365N92.2Very high91.2Very high42 Ų4237.4 Ų37.423%0.22521%0.207CC..EExtended strand (participates in β ladder)trans-70.4123.6168.9-69.7-8.2000109.1D306 M358 Y367D306-N365 HydrophobicContact CB-CB 4.42Å; D306-N365 VanDerWaalsContact CB-ND2 3.29Å; D306-N365 WeakPolarHBondContact CB-ND2 3.21Å; M358-N365 HydrophobicContact CG-CB 4.32Å; M358-N365 HydrophobicContact SD-CB 3.78Å; N365-Y367 HydrophobicContact CB-CE2 4.14Å
366I93.6Very high91Very high10 Ų1035.8 Ų35.85%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-117.6136.7177.1-55.1-52.1000108.1M358 L359 I361 Q364 P368 E425M358-I366 WeakPolarHBondContact CA-O 3.35Å; M358-I366 WeakPolarHBondContact CG-O 3.5Å; L359-I366 HydrophobicContact CB-CB 4.27Å; L359-I366 PolarHBondContact N-O 3.22Å; L359-I366 PolarHBondContact O-N 3.07Å; I361-I366 HydrophobicContact CB-CG1 4.05Å; I361-I366 HydrophobicContact CD1-CG1 4.1Å; I361-I366 HydrophobicContact CG1-CG1 4.15Å; Q364-I366 HydrophobicContact CB-CD1 4.12Å; Q364-I366 PolarHBondContact O-N 3.06Å; I366-P368 WeakPolarHBondContact O-CD 3.42Å; I366-E425 HydrophobicContact CD1-CG 3.91Å; I366-E425 HydrophobicContact CG2-CB 4.49Å; I366-E425 HydrophobicContact CG2-CG 4.31Å
367Y93.4Very high90.6Very high13 Ų1333.5 Ų33.55%0.05119%0.192CC..  trans-11388.2-178.5-59.1-84.5000109.6I310 N341 T352 M358 N365 A369 H370I310-Y367 HydrophobicContact CB-CE2 4.25Å; I310-Y367 HydrophobicContact CD1-CD2 3.89Å; I310-Y367 HydrophobicContact CD1-CE2 3.46Å; I310-Y367 VanDerWaalsContact CD1-CE2 3.46Å; I310-Y367 HydrophobicContact CG1-CE2 4.45Å; I310-Y367 HydrophobicContact CG2-CE1 4Å; I310-Y367 HydrophobicContact CG2-CE2 4.03Å; I310-Y367 WeakPolarHBondContact CG2-OH 3.41Å; N341-Y367 HydrophobicContact CB-CD1 4.32Å; N341-Y367 HydrophobicContact CB-CE1 3.79Å; T352-Y367 WeakPolarHBondContact OG1-CD1 3.39Å; M358-Y367 HydrophobicContact CB-CE1 4.47Å; M358-Y367 HydrophobicContact CG-CD1 4.16Å; M358-Y367 HydrophobicContact CG-CE1 3.89Å; M358-Y367 HydrophobicContact SD-CE1 3.7Å; N365-Y367 HydrophobicContact CB-CE2 4.14Å; Y367-A369 PolarHBondContact O-N 3.41Å; Y367-A369 VanDerWaalsContact O-N 3.09Å; Y367-H370 PolarHBondContact O-N 3.23Å; Y367-H370 VanDerWaalsContact O-N 3.12Å
368P94.8Very high89.9Confident2 Ų233.8 Ų33.81%0.01320%0.196CC..Hα-helixtrans-44-44.2-177.4-38.742000115D357 L359 I366 H370 V371 E372 I386D357-P368 VanDerWaalsContact O-CD 3.29Å; D357-P368 WeakPolarHBondContact O-CD 3.4Å; D357-P368 WeakPolarHBondContact O-CG 3.49Å; L359-P368 HydrophobicContact CD1-CG 3.82Å; L359-P368 HydrophobicContact CG-CG 3.7Å; I366-P368 WeakPolarHBondContact O-CD 3.42Å; P368-H370 PolarHBondContact O-N 3.19Å; P368-H370 VanDerWaalsContact O-N 3.14Å; P368-V371 PolarHBondContact O-N 3.11Å; P368-E372 WeakPolarHBondContact CB-OE1 3.44Å; P368-E372 VanDerWaalsContact O-CG 3.29Å; P368-E372 WeakPolarHBondContact O-CG 3.46Å; P368-E372 PolarHBondContact O-N 2.87Å; P368-I386 HydrophobicContact CB-CB 4Å; P368-I386 HydrophobicContact CB-CG2 4.35Å; P368-I386 HydrophobicContact CG-CG2 4.38Å
369A91Very high88.5Confident15 Ų1537.4 Ų37.412%0.12423%0.227CC..Hα-helixtrans-57.8-32.6-174.700000113.5Y367 E372 R373Y367-A369 PolarHBondContact O-N 3.41Å; Y367-A369 VanDerWaalsContact O-N 3.09Å; A369-E372 WeakPolarHBondContact CA-OE2 3.43Å; A369-R373 WeakPolarHBondContact O-CB 3.34Å; A369-R373 VanDerWaalsContact O-CG 3.3Å; A369-R373 WeakPolarHBondContact O-CG 3.44Å; A369-R373 PolarHBondContact O-N 3.47Å; A369-R373 VanDerWaalsContact O-N 3.11Å; A369-R373 PolarHBondContact O-NH1 3.4Å
370H89.7Confident87.8Confident56 Ų5638.5 Ų38.526%0.25924%0.235SC..Hα-helixtrans-64.1-45.9175177.852.4000111.4Y367 P368 L374 E425Y367-H370 PolarHBondContact O-N 3.23Å; Y367-H370 VanDerWaalsContact O-N 3.12Å; P368-H370 PolarHBondContact O-N 3.19Å; P368-H370 VanDerWaalsContact O-N 3.14Å; H370-L374 WeakPolarHBondContact O-CG 2.77Å; H370-L374 PolarHBondContact O-N 2.92Å; H370-E425 IonicContact CD2-OE1 3.87Å
371V92.3Very high87.4Confident1 Ų134.9 Ų34.91%0.00622%0.216CC..Hα-helixtrans-71.9-41.8-178.6-173.50000111P368 R373 L374 L375 I386 L417 V421 E425P368-V371 PolarHBondContact O-N 3.11Å; V371-R373 VanDerWaalsContact C-N 3.34Å; V371-R373 PolarHBondContact O-N 3.49Å; V371-L374 PolarHBondContact O-N 2.91Å; V371-L375 HydrophobicContact CG1-CD1 4.02Å; V371-L375 WeakPolarHBondContact O-CG 3.47Å; V371-L375 PolarHBondContact O-N 3.28Å; V371-I386 HydrophobicContact CB-CD1 3.66Å; V371-I386 HydrophobicContact CG1-CD1 3.58Å; V371-L417 HydrophobicContact CG1-CD1 3.64Å; V371-L417 HydrophobicContact CG1-CD2 3.98Å; V371-L417 HydrophobicContact CG1-CG 4.48Å; V371-V421 HydrophobicContact CG2-CG1 4.4Å; V371-E425 HydrophobicContact CG2-CB 3.97Å
372E93Very high87Confident18 Ų1839.4 Ų39.48%0.08424%0.241CC..Hα-helixtrans-55.4-47.2174.8-69.3163.3-177.700111P368 A369 L374 L375 T376 I386 R446P368-E372 WeakPolarHBondContact CB-OE1 3.44Å; P368-E372 VanDerWaalsContact O-CG 3.29Å; P368-E372 WeakPolarHBondContact O-CG 3.46Å; P368-E372 PolarHBondContact O-N 2.87Å; A369-E372 WeakPolarHBondContact CA-OE2 3.43Å; E372-L374 PolarHBondContact O-N 3.29Å; E372-L375 WeakPolarHBondContact O-CB 3.35Å; E372-L375 PolarHBondContact O-N 3.27Å; E372-L375 VanDerWaalsContact O-N 3.17Å; E372-T376 PolarHBondContact O-N 2.89Å; E372-T376 PolarHBondContact O-OG1 3.49Å; E372-I386 HydrophobicContact CG-CB 4.36Å; E372-I386 HydrophobicContact CG-CD1 4.16Å; E372-I386 HydrophobicContact CG-CG1 4.15Å; E372-I386 PolarHBondContact OE1-N 3.3Å; E372-R446 VanDerWaalsContact CD-NH2 3.31Å; E372-R446 IonicContact OE1-CZ 3.38Å; E372-R446 IonicContact OE1-NE 3.83Å; E372-R446 IonicContact OE1-NH2 3.25Å; E372-R446 PolarHBondContact OE1-NH2 3.36Å; E372-R446 IonicContact OE2-NH2 3.35Å; E372-R446 PolarHBondContact OE2-NH2 2.98Å
373R87.3Confident87Confident67 Ų6740.1 Ų40.125%0.25323%0.234SC..Hα-helixtrans-61.9-42.9176.6-74.9-169.7-53.5-92.613.1113L351 A369 V371 L375 T376 Q377L351-R373 PolarHBondContact O-NH2 3.41Å; L351-R373 VanDerWaalsContact O-NH2 3.12Å; A369-R373 WeakPolarHBondContact O-CB 3.34Å; A369-R373 VanDerWaalsContact O-CG 3.3Å; A369-R373 WeakPolarHBondContact O-CG 3.44Å; A369-R373 PolarHBondContact O-N 3.47Å; A369-R373 VanDerWaalsContact O-N 3.11Å; A369-R373 PolarHBondContact O-NH1 3.4Å; V371-R373 VanDerWaalsContact C-N 3.34Å; V371-R373 PolarHBondContact O-N 3.49Å; R373-L375 PolarHBondContact O-N 2.77Å; R373-T376 PolarHBondContact O-OG1 3.42Å; R373-Q377 WeakPolarHBondContact O-CB 3.26Å; R373-Q377 WeakPolarHBondContact O-CG 3.45Å; R373-Q377 PolarHBondContact O-N 3Å; R373-Q377 VanDerWaalsContact O-N 3.09Å
374L88.2Confident87.2Confident17 Ų1737.6 Ų37.69%0.08921%0.207CC..Hα-helixtrans-62.3-32.9177-71.3175.3000111.9H370 V371 E372 F416 L417 K420 V421H370-L374 WeakPolarHBondContact O-CG 2.77Å; H370-L374 PolarHBondContact O-N 2.92Å; V371-L374 PolarHBondContact O-N 2.91Å; E372-L374 PolarHBondContact O-N 3.29Å; L374-F416 VanDerWaalsContact O-CE1 3.25Å; L374-F416 WeakPolarHBondContact O-CE1 3.48Å; L374-F416 VanDerWaalsContact O-CZ 3.3Å; L374-F416 WeakPolarHBondContact O-CZ 3.44Å; L374-L417 HydrophobicContact CB-CD2 4.39Å; L374-K420 HydrophobicContact CD1-CB 4.05Å; L374-K420 HydrophobicContact CD1-CD 4.38Å; L374-K420 HydrophobicContact CD2-CD 4.32Å; L374-V421 HydrophobicContact CD1-CG1 3.54Å
375L89.7Confident87.4Confident3 Ų334.9 Ų34.92%0.01620%0.195CC..Hα-helixtrans-76.2-46.6-180-74168.4000112.1V371 E372 R373 Q377 S378 I381 A384 L400 V413 F416 L417V371-L375 HydrophobicContact CG1-CD1 4.02Å; V371-L375 WeakPolarHBondContact O-CG 3.47Å; V371-L375 PolarHBondContact O-N 3.28Å; E372-L375 WeakPolarHBondContact O-CB 3.35Å; E372-L375 PolarHBondContact O-N 3.27Å; E372-L375 VanDerWaalsContact O-N 3.17Å; R373-L375 PolarHBondContact O-N 2.77Å; L375-Q377 PolarHBondContact O-N 3.2Å; L375-S378 WeakPolarHBondContact O-CB 3.4Å; L375-S378 PolarHBondContact O-N 3.21Å; L375-I381 HydrophobicContact CB-CD1 3.71Å; L375-I381 HydrophobicContact CD2-CD1 3.88Å; L375-I381 HydrophobicContact CG-CD1 4.32Å; L375-A384 HydrophobicContact CB-CB 4.42Å; L375-L400 HydrophobicContact CD1-CD1 3.86Å; L375-L400 HydrophobicContact CD1-CD2 3.72Å; L375-L400 HydrophobicContact CD1-CG 4.44Å; L375-V413 HydrophobicContact CD2-CG1 3.9Å; L375-F416 HydrophobicContact CD2-CD1 4.13Å; L375-F416 HydrophobicContact CD2-CE1 4.26Å; L375-L417 HydrophobicContact CD1-CD1 4.46Å; L375-L417 HydrophobicContact CD2-CD1 4.31Å; L375-L417 HydrophobicContact CD2-CD2 4.24Å; L375-L417 HydrophobicContact CD2-CG 4.3Å; L375-L417 HydrophobicContact CG-CD2 4.31Å
376T85.7Confident87.7Confident48 Ų4833.1 Ų33.129%0.29419%0.185SC..Hα-helixtrans-69.8-15.6176.956.20000113.2E372 R373 S378 I381 A384E372-T376 PolarHBondContact O-N 2.89Å; E372-T376 PolarHBondContact O-OG1 3.49Å; R373-T376 PolarHBondContact O-OG1 3.42Å; T376-S378 PolarHBondContact O-N 3.34Å; T376-I381 HydrophobicContact CG2-CG2 4.15Å; T376-A384 HydrophobicContact CG2-CB 3.97Å
377Q80Confident87.8Confident62 Ų6232.7 Ų32.729%0.2918%0.183SC..THydrogen-bonded Turntrans-68.9-15.9166.2-78.4172.80.500114.1H250 R373 L375H250-Q377 VanDerWaalsContact NE2-CA 3.28Å; H250-Q377 WeakPolarHBondContact NE2-CA 3.32Å; H250-Q377 WeakPolarHBondContact NE2-CG 3.45Å; R373-Q377 WeakPolarHBondContact O-CB 3.26Å; R373-Q377 WeakPolarHBondContact O-CG 3.45Å; R373-Q377 PolarHBondContact O-N 3Å; R373-Q377 VanDerWaalsContact O-N 3.09Å; L375-Q377 PolarHBondContact O-N 3.2Å
378S76Confident87.9Confident35 Ų3532.3 Ų32.325%0.24518%0.182CC..SBendtrans-82.7139.9173.4-172.90000110.6L375 T376 S380 I381L375-S378 WeakPolarHBondContact O-CB 3.4Å; L375-S378 PolarHBondContact O-N 3.21Å; T376-S378 PolarHBondContact O-N 3.34Å; S378-S380 PolarHBondContact O-N 3.21Å; S378-I381 PolarHBondContact O-N 2.88Å
379S63.8Low87.9Confident126 Ų12633.1 Ų33.188%0.88119%0.186SC*.THydrogen-bonded Turntrans-69.16-178.7610000115.2
380S79Confident88.1Confident35 Ų3537.2 Ų37.225%0.24521%0.212CC..THydrogen-bonded Turntrans-110.7-3.5-175.3-49.60000113.4S378S378-S380 PolarHBondContact O-N 3.21Å
381I84.2Confident88.4Confident10 Ų1036.8 Ų36.85%0.05121%0.212CC..  trans-128.5119.6-177-63.6174.3000107.4L375 T376 S378 E383 A384 Y402 L408L375-I381 HydrophobicContact CB-CD1 3.71Å; L375-I381 HydrophobicContact CD2-CD1 3.88Å; L375-I381 HydrophobicContact CG-CD1 4.32Å; T376-I381 HydrophobicContact CG2-CG2 4.15Å; S378-I381 PolarHBondContact O-N 2.88Å; I381-E383 WeakPolarHBondContact CG2-O 3.05Å; I381-A384 HydrophobicContact CG2-CB 3.84Å; I381-Y402 HydrophobicContact CG1-CD2 4.29Å; I381-L408 HydrophobicContact CD1-CD1 3.46Å; I381-L408 VanDerWaalsContact CD1-CD1 3.46Å; I381-L408 HydrophobicContact CG1-CD1 3.51Å
382D85.3Confident88.4Confident107 Ų10746.6 Ų46.657%0.57226%0.257SS*.SBendtrans-80.3-49.3174.8-67.1-35.3000110.1S403 G404D382-S403 PolarHBondContact N-O 3.34Å; D382-G404 WeakPolarHBondContact OD2-CA 3.34Å
383E89.1Confident88.4Confident53 Ų5355.6 Ų55.625%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-137.6144.1178.1-58.2176.5111.600110.7I381 Y402 S403 M436 Y438 I444I381-E383 WeakPolarHBondContact CG2-O 3.05Å; E383-Y402 CarbonylContact O-C 3.59Å; E383-Y402 VanDerWaalsContact O-CA 3.22Å; E383-Y402 WeakPolarHBondContact O-CA 3.35Å; E383-Y402 WeakPolarHBondContact O-CB 3.25Å; E383-S403 WeakPolarHBondContact CB-OG 3.21Å; E383-S403 PolarHBondContact O-N 3.33Å; E383-S403 PolarHBondContact OE2-OG 2.89Å; E383-M436 HydrophobicContact CB-CE 4.19Å; E383-M436 HydrophobicContact CB-CG 4.07Å; E383-M436 VanDerWaalsContact OE2-CG 3.32Å; E383-M436 WeakPolarHBondContact OE2-CG 3.35Å; E383-Y438 WeakPolarHBondContact OE1-CE1 2.96Å; E383-Y438 PolarHBondContact OE1-OH 3.42Å; E383-Y438 PolarHBondContact OE2-OH 3.39Å; E383-I444 HydrophobicContact CB-CD1 4.01Å
384A92.6Very high88.6Confident7 Ų755.8 Ų55.86%0.05829%0.293CS..EExtended strand (participates in β ladder)trans-140.5140.2176.300000110.7L375 T376 I381 L400 L401L375-A384 HydrophobicContact CB-CB 4.42Å; T376-A384 HydrophobicContact CG2-CB 3.97Å; I381-A384 HydrophobicContact CG2-CB 3.84Å; A384-L400 HydrophobicContact CB-CD1 3.75Å; A384-L401 WeakPolarHBondContact CA-O 3.42Å
385I95.4Very high88.8Confident6 Ų657.4 Ų57.43%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-138.3133.8170.9-163.779.5000108.8L401 M436 I444 R446 M449I385-L401 HydrophobicContact CG2-CB 3.79Å; I385-L401 HydrophobicContact CG2-CD1 4.27Å; I385-L401 HydrophobicContact CG2-CG 4.37Å; I385-L401 PolarHBondContact N-O 2.9Å; I385-L401 PolarHBondContact O-N 3.32Å; I385-M436 HydrophobicContact CG2-CE 4.44Å; I385-M436 HydrophobicContact CG2-SD 4.27Å; I385-I444 HydrophobicContact CB-CD1 4.47Å; I385-I444 HydrophobicContact CB-CG2 4.01Å; I385-I444 HydrophobicContact CD1-CB 4.23Å; I385-I444 HydrophobicContact CD1-CG2 4.06Å; I385-I444 HydrophobicContact CG1-CG2 4.05Å; I385-I444 HydrophobicContact CG2-CG2 4.11Å; I385-R446 HydrophobicContact CD1-CB 4.18Å; I385-R446 HydrophobicContact CD1-CG 4.33Å; I385-R446 HydrophobicContact CG1-CB 4.16Å; I385-R446 HydrophobicContact CG1-CG 4Å; I385-M449 HydrophobicContact CG2-CG 4.48Å
386I97.2Very high89Confident5 Ų560 Ų603%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-104122.6172.8-65.9161.9000108L359 P368 V371 E372 V399 L400 P427 R446L359-I386 HydrophobicContact CD1-CG2 4.11Å; P368-I386 HydrophobicContact CB-CB 4Å; P368-I386 HydrophobicContact CB-CG2 4.35Å; P368-I386 HydrophobicContact CG-CG2 4.38Å; V371-I386 HydrophobicContact CB-CD1 3.66Å; V371-I386 HydrophobicContact CG1-CD1 3.58Å; E372-I386 HydrophobicContact CG-CB 4.36Å; E372-I386 HydrophobicContact CG-CD1 4.16Å; E372-I386 HydrophobicContact CG-CG1 4.15Å; E372-I386 PolarHBondContact OE1-N 3.3Å; I386-V399 VanDerWaalsContact CA-O 3.31Å; I386-V399 WeakPolarHBondContact CA-O 3.23Å; I386-L400 HydrophobicContact CG1-CB 4.24Å; I386-L400 HydrophobicContact CG1-CD1 3.9Å; I386-P427 HydrophobicContact CD1-CG 3.63Å; I386-P427 HydrophobicContact CG1-CG 3.93Å; I386-R446 PolarHBondContact O-NE 2.78Å
387I96.6Very high89.5Confident1 Ų158.5 Ų58.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-106.2151.8175.160.4169.6000109.8I389 G398 V399 L401 R446 M450 Y453I387-I389 HydrophobicContact CD1-CG2 4.1Å; I387-I389 HydrophobicContact CG1-CG2 4.44Å; I387-G398 CarbonylContact O-C 3.53Å; I387-G398 WeakPolarHBondContact O-CA 3.16Å; I387-V399 HydrophobicContact CD1-CB 4.38Å; I387-V399 HydrophobicContact CG1-CB 3.87Å; I387-V399 PolarHBondContact N-O 3.49Å; I387-V399 PolarHBondContact O-N 2.98Å; I387-L401 HydrophobicContact CD1-CD1 3.86Å; I387-L401 HydrophobicContact CD1-CG 4.26Å; I387-L401 HydrophobicContact CG1-CD1 4.36Å; I387-L401 HydrophobicContact CG1-CG 4.41Å; I387-L401 HydrophobicContact CG2-CD1 4.42Å; I387-R446 HydrophobicContact CG2-CG 3.98Å; I387-M450 HydrophobicContact CB-CB 4.08Å; I387-M450 HydrophobicContact CB-CG 4.27Å; I387-M450 HydrophobicContact CD1-CB 4.18Å; I387-M450 HydrophobicContact CD1-CG 4.26Å; I387-M450 HydrophobicContact CG2-CB 3.93Å; I387-Y453 HydrophobicContact CD1-CD1 3.83Å; I387-Y453 HydrophobicContact CD1-CD2 4.34Å; I387-Y453 HydrophobicContact CD1-CG 3.69Å
388G95.7Very high90.3Very high4 Ų455.6 Ų55.64%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-98123.5170.700000110.5I397G388-I397 WeakPolarHBondContact CA-O 3.3Å
389I95.3Very high91.3Very high19 Ų1954 Ų5410%0.09729%0.291CS..EExtended strand (participates in β ladder)trans-110.9151.6171.968170.9000110.7I387 Q396 I397 V399 Y453 L454I387-I389 HydrophobicContact CD1-CG2 4.1Å; I387-I389 HydrophobicContact CG1-CG2 4.44Å; I389-Q396 CarbonylContact O-C 3.56Å; I389-Q396 WeakPolarHBondContact O-CA 3.16Å; I389-I397 HydrophobicContact CD1-CD1 4.11Å; I389-I397 HydrophobicContact CD1-CG1 4.09Å; I389-I397 HydrophobicContact CG1-CD1 4.16Å; I389-I397 HydrophobicContact CG1-CG1 3.57Å; I389-I397 PolarHBondContact N-O 2.79Å; I389-I397 PolarHBondContact O-N 3.11Å; I389-V399 HydrophobicContact CD1-CG2 3.65Å; I389-V399 HydrophobicContact CG1-CG2 3.79Å; I389-V399 HydrophobicContact CG2-CG2 4.09Å; I389-Y453 HydrophobicContact CD1-CE1 4.07Å; I389-Y453 HydrophobicContact CG2-CD1 3.96Å; I389-Y453 HydrophobicContact CG2-CE1 4.01Å; I389-L454 HydrophobicContact CB-CD2 4.19Å; I389-L454 HydrophobicContact CG2-CD2 3.91Å; I389-L454 HydrophobicContact CG2-CG 4.48Å
390P94.6Very high92.9Very high102 Ų10248 Ų4866%0.66225%0.249SC*.EExtended strand (participates in β ladder)trans-56.5142.4176.3-25.134.8000112.7G395P390-G395 CarbonylContact C-O 3.57Å; P390-G395 WeakPolarHBondContact CA-O 3.38Å
391N95.4Very high93.7Very high47 Ų4746.3 Ų46.325%0.25124%0.238SC..EExtended strand (participates in β ladder)trans-146.7128.7175-178.4-94.4000110.4R393 F394 G395 I397N391-R393 VanDerWaalsContact C-N 3.26Å; N391-R393 PolarHBondContact O-N 3.42Å; N391-R393 PolarHBondContact OD1-N 2.88Å; N391-F394 PolarHBondContact O-N 3.45Å; N391-F394 WeakPolarHBondContact OD1-CD2 3.45Å; N391-F394 PolarHBondContact OD1-N 2.82Å; N391-G395 PolarHBondContact N-O 3.35Å; N391-G395 CarbonylContact O-C 3.56Å; N391-G395 VanDerWaalsContact O-CA 3.22Å; N391-G395 WeakPolarHBondContact O-CA 3.33Å; N391-G395 PolarHBondContact O-N 2.85Å; N391-I397 HydrophobicContact CB-CB 4.41Å; N391-I397 HydrophobicContact CB-CG1 4.19Å; N391-I397 HydrophobicContact CB-CG2 3.74Å
392E92.7Very high94.3Very high206 Ų20646 Ų4696%0.96324%0.236SC*.THydrogen-bonded Turntrans-58.1-35.6-175.9-63.9-176166.800113.6
393R92.4Very high94.6Very high208 Ų20841.5 Ų41.579%0.78521%0.213SC*.THydrogen-bonded Turntrans-85.9-36.7-175.3-177.7175.9178.1177.13.7113.2N391N391-R393 VanDerWaalsContact C-N 3.26Å; N391-R393 PolarHBondContact O-N 3.42Å; N391-R393 PolarHBondContact OD1-N 2.88Å
394F91Very high94.5Very high71 Ų7139.5 Ų39.531%0.31121%0.207SC..THydrogen-bonded Turntrans-112.61.9-170.7-61.7-65.7000113.5I361 G362 N391 Q396 I397I361-F394 HydrophobicContact CG2-CB 4.35Å; G362-F394 PolarHBondContact N-O 3.19Å; N391-F394 PolarHBondContact O-N 3.45Å; N391-F394 WeakPolarHBondContact OD1-CD2 3.45Å; N391-F394 PolarHBondContact OD1-N 2.82Å; F394-Q396 VanDerWaalsContact CB-O 3.27Å; F394-Q396 WeakPolarHBondContact CB-O 3.5Å; F394-Q396 PolarHBondContact O-N 2.92Å; F394-I397 HydrophobicContact CB-CG2 4.31Å; F394-I397 HydrophobicContact CD2-CG2 3.99Å
395G92.6Very high94.1Very high50 Ų5046.8 Ų46.852%0.51525%0.245SC..EExtended strand (participates in β ladder)trans75.1-59.5-168.500000110.7P390 N391P390-G395 CarbonylContact C-O 3.57Å; P390-G395 WeakPolarHBondContact CA-O 3.38Å; N391-G395 PolarHBondContact N-O 3.35Å; N391-G395 CarbonylContact O-C 3.56Å; N391-G395 VanDerWaalsContact O-CA 3.22Å; N391-G395 WeakPolarHBondContact O-CA 3.33Å; N391-G395 PolarHBondContact O-N 2.85Å
396Q95Very high93.6Very high58 Ų5849.8 Ų49.827%0.27126%0.263SS..EExtended strand (participates in β ladder)trans-130.9160.2171.7-61.6-179.7-53.200111.8I360 I361 I389 F394I360-Q396 VanDerWaalsContact N-OE1 3.08Å; I361-Q396 HydrophobicContact CG1-CB 4.35Å; I361-Q396 WeakPolarHBondContact CG2-O 3.36Å; I389-Q396 CarbonylContact O-C 3.56Å; I389-Q396 WeakPolarHBondContact O-CA 3.16Å; F394-Q396 VanDerWaalsContact CB-O 3.27Å; F394-Q396 WeakPolarHBondContact CB-O 3.5Å; F394-Q396 PolarHBondContact O-N 2.92Å
397I95.8Very high93Very high16 Ų1654.9 Ų54.98%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-128.7150161.758174.8000110.2G388 I389 N391 F394 M429G388-I397 WeakPolarHBondContact CA-O 3.3Å; I389-I397 HydrophobicContact CD1-CD1 4.11Å; I389-I397 HydrophobicContact CD1-CG1 4.09Å; I389-I397 HydrophobicContact CG1-CD1 4.16Å; I389-I397 HydrophobicContact CG1-CG1 3.57Å; I389-I397 PolarHBondContact N-O 2.79Å; I389-I397 PolarHBondContact O-N 3.11Å; N391-I397 HydrophobicContact CB-CB 4.41Å; N391-I397 HydrophobicContact CB-CG1 4.19Å; N391-I397 HydrophobicContact CB-CG2 3.74Å; F394-I397 HydrophobicContact CB-CG2 4.31Å; F394-I397 HydrophobicContact CD2-CG2 3.99Å; I397-M429 HydrophobicContact CD1-SD 4.16Å
398G96.6Very high92.6Very high2 Ų256.2 Ų56.22%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-80.4130.7173.800000111.3I361 I387 P427 S428 M429I361-G398 VanDerWaalsContact CD1-N 3.33Å; I387-G398 CarbonylContact O-C 3.53Å; I387-G398 WeakPolarHBondContact O-CA 3.16Å; G398-P427 CarbonylContact O-C 3.45Å; G398-S428 PolarHBondContact O-N 3.26Å; G398-M429 PolarHBondContact O-N 3.24Å
399V97.3Very high92.4Very high0 Ų059.4 Ų59.40%032%0.32CS..EExtended strand (participates in β ladder)trans-115122.9169.9-176.50000108.3I386 I387 I389 L401 M429 Y453I386-V399 VanDerWaalsContact CA-O 3.31Å; I386-V399 WeakPolarHBondContact CA-O 3.23Å; I387-V399 HydrophobicContact CD1-CB 4.38Å; I387-V399 HydrophobicContact CG1-CB 3.87Å; I387-V399 PolarHBondContact N-O 3.49Å; I387-V399 PolarHBondContact O-N 2.98Å; I389-V399 HydrophobicContact CD1-CG2 3.65Å; I389-V399 HydrophobicContact CG1-CG2 3.79Å; I389-V399 HydrophobicContact CG2-CG2 4.09Å; V399-L401 HydrophobicContact CG1-CD2 3.93Å; V399-M429 WeakPolarHBondContact CA-O 3.41Å; V399-M429 HydrophobicContact CB-CB 4.45Å; V399-M429 HydrophobicContact CG1-CB 4.04Å; V399-M429 HydrophobicContact CG2-CB 4.13Å; V399-Y453 HydrophobicContact CG1-CE1 4.41Å; V399-Y453 HydrophobicContact CG1-CE2 3.74Å; V399-Y453 HydrophobicContact CG2-CE1 4.25Å
400L97Very high92.2Very high0 Ų062.1 Ų62.10%033%0.332CS..EExtended strand (participates in β ladder)trans-82.1119.1170.6173.662.7000109.2L375 A384 I386 Y402 V413 P427 M429 I430 H431L375-L400 HydrophobicContact CD1-CD1 3.86Å; L375-L400 HydrophobicContact CD1-CD2 3.72Å; L375-L400 HydrophobicContact CD1-CG 4.44Å; A384-L400 HydrophobicContact CB-CD1 3.75Å; I386-L400 HydrophobicContact CG1-CB 4.24Å; I386-L400 HydrophobicContact CG1-CD1 3.9Å; L400-Y402 HydrophobicContact CG-CD1 4.44Å; L400-V413 HydrophobicContact CD2-CG1 4.26Å; L400-V413 HydrophobicContact CD2-CG2 4.5Å; L400-P427 HydrophobicContact CB-CB 3.84Å; L400-P427 HydrophobicContact CB-CG 3.89Å; L400-M429 PolarHBondContact N-O 2.59Å; L400-I430 HydrophobicContact CB-CB 4.46Å; L400-I430 HydrophobicContact CB-CG1 4.13Å; L400-I430 HydrophobicContact CB-CG2 4.32Å; L400-I430 HydrophobicContact CD2-CD1 4.25Å; L400-I430 HydrophobicContact CD2-CG1 4.28Å; L400-I430 HydrophobicContact CD2-CG2 3.89Å; L400-I430 HydrophobicContact CG-CG2 4.22Å; L400-I430 CarbonylContact O-C 3.54Å; L400-I430 WeakPolarHBondContact O-CA 3.44Å; L400-H431 PolarHBondContact O-N 3.22Å
401L96.7Very high92.1Very high0 Ų064.6 Ų64.60%033%0.333CS..EExtended strand (participates in β ladder)trans-100.6129.9163.1-49179.7000107.5A384 I385 I387 V399 H431 V433 M449 Y453 L458A384-L401 WeakPolarHBondContact CA-O 3.42Å; I385-L401 HydrophobicContact CG2-CB 3.79Å; I385-L401 HydrophobicContact CG2-CD1 4.27Å; I385-L401 HydrophobicContact CG2-CG 4.37Å; I385-L401 PolarHBondContact N-O 2.9Å; I385-L401 PolarHBondContact O-N 3.32Å; I387-L401 HydrophobicContact CD1-CD1 3.86Å; I387-L401 HydrophobicContact CD1-CG 4.26Å; I387-L401 HydrophobicContact CG1-CD1 4.36Å; I387-L401 HydrophobicContact CG1-CG 4.41Å; I387-L401 HydrophobicContact CG2-CD1 4.42Å; V399-L401 HydrophobicContact CG1-CD2 3.93Å; L401-H431 WeakPolarHBondContact CA-O 3.37Å; L401-H431 HydrophobicContact CD2-CB 3.91Å; L401-V433 HydrophobicContact CB-CG1 4.08Å; L401-V433 HydrophobicContact CD2-CG1 4.3Å; L401-M449 HydrophobicContact CD1-CB 4.07Å; L401-M449 HydrophobicContact CD1-CE 3.97Å; L401-Y453 HydrophobicContact CD1-CD2 4.47Å; L401-Y453 HydrophobicContact CD2-CD2 3.46Å; L401-Y453 VanDerWaalsContact CD2-CD2 3.46Å; L401-Y453 HydrophobicContact CD2-CE2 3.75Å; L401-Y453 HydrophobicContact CD2-CG 4.36Å; L401-L458 HydrophobicContact CD1-CD1 3.7Å
402Y95.5Very high91.9Very high3 Ų366.2 Ų66.21%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-143.3151.4-178.577.7-74.1000112I381 E383 L400 V406 T407 L408 I430 H431 H432 V433I381-Y402 HydrophobicContact CG1-CD2 4.29Å; E383-Y402 CarbonylContact O-C 3.59Å; E383-Y402 VanDerWaalsContact O-CA 3.22Å; E383-Y402 WeakPolarHBondContact O-CA 3.35Å; E383-Y402 WeakPolarHBondContact O-CB 3.25Å; L400-Y402 HydrophobicContact CG-CD1 4.44Å; Y402-V406 WeakPolarHBondContact CE2-O 3.31Å; Y402-T407 WeakPolarHBondContact OH-CA 3.47Å; Y402-L408 HydrophobicContact CD2-CD1 3.84Å; Y402-L408 HydrophobicContact CD2-CG 4.36Å; Y402-L408 HydrophobicContact CE1-CB 4.3Å; Y402-L408 HydrophobicContact CE2-CB 4.11Å; Y402-L408 HydrophobicContact CE2-CD1 3.68Å; Y402-L408 HydrophobicContact CE2-CG 3.68Å; Y402-L408 HydrophobicContact CG-CD1 4.34Å; Y402-L408 PolarHBondContact OH-N 3.44Å; Y402-I430 HydrophobicContact CD1-CG2 3.73Å; Y402-I430 HydrophobicContact CE1-CG2 3.54Å; Y402-H431 VanDerWaalsContact CD1-O 3.23Å; Y402-H431 WeakPolarHBondContact CD1-O 3.43Å; Y402-H431 PolarHBondContact N-O 3.34Å; Y402-H431 VanDerWaalsContact N-O 3.1Å; Y402-H432 VanDerWaalsContact CE1-CA 3.5Å; Y402-H432 HydrophobicContact CE1-CB 3.79Å; Y402-H432 HydrophobicContact CE2-CB 4.47Å; Y402-H432 AromaticContact CE2-CD2 3.54Å; Y402-H432 AromaticContact CZ-CD2 3.67Å; Y402-H432 WeakPolarHBondContact O-CA 3.33Å; Y402-H432 PolarHBondContact O-CD2 3.41Å; Y402-V433 PolarHBondContact O-N 3.42Å
403S92.2Very high91.8Very high14 Ų1456.7 Ų56.710%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-115.4152.6168.660.20000109.7D382 E383D382-S403 PolarHBondContact N-O 3.34Å; E383-S403 WeakPolarHBondContact CB-OG 3.21Å; E383-S403 PolarHBondContact O-N 3.33Å; E383-S403 PolarHBondContact OE2-OG 2.89Å
404G87Confident91.8Very high11 Ų1151.7 Ų51.711%0.11328%0.281CS..SBendtrans155.5166.2-179.200000112.4D382 V406 H432D382-G404 WeakPolarHBondContact OD2-CA 3.34Å; G404-V406 PolarHBondContact O-N 3.26Å; G404-H432 PolarHBondContact O-NE2 3.48Å
405D83.4Confident91.9Very high160 Ų16054.6 Ų54.686%0.85630%0.296SS*.SBendtrans-71.9-16-175.8-66.1-31.3000114
406V85Confident91.8Very high69 Ų6955.3 Ų55.342%0.41829%0.285SS..SBendtrans-114.4124.7-172.7-177.60000110.6Y402 G404 L408Y402-V406 WeakPolarHBondContact CE2-O 3.31Å; G404-V406 PolarHBondContact O-N 3.26Å; V406-L408 PolarHBondContact O-N 3.48Å
407T86.1Confident91.8Very high112 Ų11252.5 Ų52.569%0.68727%0.272SS*.  trans-69.6112.5169.2-49.30000110.6Y402Y402-T407 WeakPolarHBondContact OH-CA 3.47Å
408L88Confident91.6Very high29 Ų2959.3 Ų59.315%0.15230%0.301CS..  trans-84.2135.1174.6-60.1177.6000111.5I381 Y402 V406 V413I381-L408 HydrophobicContact CD1-CD1 3.46Å; I381-L408 VanDerWaalsContact CD1-CD1 3.46Å; I381-L408 HydrophobicContact CG1-CD1 3.51Å; Y402-L408 HydrophobicContact CD2-CD1 3.84Å; Y402-L408 HydrophobicContact CD2-CG 4.36Å; Y402-L408 HydrophobicContact CE1-CB 4.3Å; Y402-L408 HydrophobicContact CE2-CB 4.11Å; Y402-L408 HydrophobicContact CE2-CD1 3.68Å; Y402-L408 HydrophobicContact CE2-CG 3.68Å; Y402-L408 HydrophobicContact CG-CD1 4.34Å; Y402-L408 PolarHBondContact OH-N 3.44Å; V406-L408 PolarHBondContact O-N 3.48Å; L408-V413 HydrophobicContact CB-CG2 3.99Å; L408-V413 HydrophobicContact CD1-CG2 3.85Å; L408-V413 HydrophobicContact CG-CG2 4.43Å
409T90.5Very high91.2Very high70 Ų7068.5 Ų68.543%0.42934%0.34SS..  trans-90.5152166.372.90000110.9K411 N412 V413T409-K411 PolarHBondContact O-N 3.49Å; T409-K411 VanDerWaalsContact O-N 3.16Å; T409-N412 PolarHBondContact O-N 2.87Å; T409-N412 VanDerWaalsContact OG1-CG 3.22Å; T409-N412 PolarHBondContact OG1-N 3.18Å; T409-N412 PolarHBondContact OG1-OD1 2.96Å; T409-V413 PolarHBondContact O-N 3.42Å
410H91.7Very high90.9Very high76 Ų7673.4 Ų73.435%0.35236%0.361SS..Hα-helixtrans-50.5-40.1172.3-173.3-96.9000112.6N412 V413 K414 P427 S428 I430H410-N412 PolarHBondContact O-N 3.19Å; H410-V413 PolarHBondContact O-N 2.92Å; H410-K414 WeakPolarHBondContact O-CB 3.5Å; H410-K414 PolarHBondContact O-N 3.35Å; H410-P427 PolarHBondContact NE2-O 2.98Å; H410-S428 PolarHBondContact NE2-O 3.35Å; H410-I430 HydrophobicContact CB-CD1 4.4Å
411K92.9Very high90.6Very high155 Ų15574.1 Ų74.167%0.67437%0.366SS*.Hα-helixtrans-60.1-44.8177.7-176.1179.9175.8-176.70112.1T409 Q415T409-K411 PolarHBondContact O-N 3.49Å; T409-K411 VanDerWaalsContact O-N 3.16Å; K411-Q415 VanDerWaalsContact O-CB 3.26Å; K411-Q415 WeakPolarHBondContact O-CB 3.47Å; K411-Q415 PolarHBondContact O-N 3.38Å
412N89.8Confident90.3Very high81 Ų8179.4 Ų79.443%0.43339%0.389SS..Hα-helixtrans-66.8-46.3-178.5-62.1129.5000111.6T409 H410 Q415 F416T409-N412 PolarHBondContact O-N 2.87Å; T409-N412 VanDerWaalsContact OG1-CG 3.22Å; T409-N412 PolarHBondContact OG1-N 3.18Å; T409-N412 PolarHBondContact OG1-OD1 2.96Å; H410-N412 PolarHBondContact O-N 3.19Å; N412-Q415 PolarHBondContact O-N 2.95Å; N412-F416 PolarHBondContact O-N 3.44Å
413V91.5Very high90.1Very high5 Ų589.2 Ų89.23%0.0343%0.426CS..Hα-helixtrans-64.6-45.3178.8171.80000111.1L375 L400 L408 T409 H410 Q415 F416 L417 I430L375-V413 HydrophobicContact CD2-CG1 3.9Å; L400-V413 HydrophobicContact CD2-CG1 4.26Å; L400-V413 HydrophobicContact CD2-CG2 4.5Å; L408-V413 HydrophobicContact CB-CG2 3.99Å; L408-V413 HydrophobicContact CD1-CG2 3.85Å; L408-V413 HydrophobicContact CG-CG2 4.43Å; T409-V413 PolarHBondContact O-N 3.42Å; H410-V413 PolarHBondContact O-N 2.92Å; V413-Q415 VanDerWaalsContact C-N 3.31Å; V413-Q415 PolarHBondContact O-N 2.91Å; V413-F416 PolarHBondContact O-N 2.84Å; V413-L417 HydrophobicContact CG1-CD1 3.7Å; V413-L417 HydrophobicContact CG1-CG 4.26Å; V413-L417 WeakPolarHBondContact O-CB 3.43Å; V413-L417 WeakPolarHBondContact O-CG 3.42Å; V413-L417 PolarHBondContact O-N 3.38Å; V413-I430 HydrophobicContact CB-CD1 3.31Å; V413-I430 HydrophobicContact CG1-CD1 3.59Å; V413-I430 HydrophobicContact CG2-CD1 3.52Å
414K92.7Very high90Very high103 Ų10393.6 Ų93.645%0.44844%0.441SS..Hα-helixtrans-58.7-42.4174.7-178.6176.2-176.6178.90111.8H410 L417 K418 I426H410-K414 WeakPolarHBondContact O-CB 3.5Å; H410-K414 PolarHBondContact O-N 3.35Å; K414-L417 PolarHBondContact O-N 3.26Å; K414-K418 WeakPolarHBondContact O-CB 3.43Å; K414-K418 PolarHBondContact O-N 3.04Å; K414-I426 HydrophobicContact CB-CG2 4.16Å; K414-I426 HydrophobicContact CG-CD1 4.22Å; K414-I426 HydrophobicContact CG-CG2 4.2Å
415Q92.5Very high90.3Very high132 Ų13294.6 Ų94.662%0.61744%0.443SS*.Hα-helixtrans-64.7-40.1178.7-178.3174.2-4.900112K411 N412 V413K411-Q415 VanDerWaalsContact O-CB 3.26Å; K411-Q415 WeakPolarHBondContact O-CB 3.47Å; K411-Q415 PolarHBondContact O-N 3.38Å; N412-Q415 PolarHBondContact O-N 2.95Å; V413-Q415 VanDerWaalsContact C-N 3.31Å; V413-Q415 PolarHBondContact O-N 2.91Å
416F90.7Very high90.9Very high65 Ų6587.9 Ų87.929%0.28541%0.407SS..Hα-helixtrans-65.3-44.4175.6175.8-101000112.2L374 L375 N412 V413L374-F416 VanDerWaalsContact O-CE1 3.25Å; L374-F416 WeakPolarHBondContact O-CE1 3.48Å; L374-F416 VanDerWaalsContact O-CZ 3.3Å; L374-F416 WeakPolarHBondContact O-CZ 3.44Å; L375-F416 HydrophobicContact CD2-CD1 4.13Å; L375-F416 HydrophobicContact CD2-CE1 4.26Å; N412-F416 PolarHBondContact O-N 3.44Å; V413-F416 PolarHBondContact O-N 2.84Å
417L94Very high91.4Very high0 Ų084.8 Ų84.80%039%0.388CS..Hα-helixtrans-79.9-31.7-175.1-71.1-180000114.1V371 L374 L375 V413 K414 K419 K420 V421 I426V371-L417 HydrophobicContact CG1-CD1 3.64Å; V371-L417 HydrophobicContact CG1-CD2 3.98Å; V371-L417 HydrophobicContact CG1-CG 4.48Å; L374-L417 HydrophobicContact CB-CD2 4.39Å; L375-L417 HydrophobicContact CD1-CD1 4.46Å; L375-L417 HydrophobicContact CD2-CD1 4.31Å; L375-L417 HydrophobicContact CD2-CD2 4.24Å; L375-L417 HydrophobicContact CD2-CG 4.3Å; L375-L417 HydrophobicContact CG-CD2 4.31Å; V413-L417 HydrophobicContact CG1-CD1 3.7Å; V413-L417 HydrophobicContact CG1-CG 4.26Å; V413-L417 WeakPolarHBondContact O-CB 3.43Å; V413-L417 WeakPolarHBondContact O-CG 3.42Å; V413-L417 PolarHBondContact O-N 3.38Å; K414-L417 PolarHBondContact O-N 3.26Å; L417-K419 PolarHBondContact O-N 3.29Å; L417-K420 PolarHBondContact O-N 3.37Å; L417-V421 HydrophobicContact CB-CG2 3.86Å; L417-V421 HydrophobicContact CD2-CG2 4.38Å; L417-V421 WeakPolarHBondContact O-CG2 3.31Å; L417-V421 PolarHBondContact O-N 3.27Å; L417-I426 HydrophobicContact CB-CD1 4.37Å; L417-I426 HydrophobicContact CB-CG1 4.04Å; L417-I426 HydrophobicContact CD1-CG2 4.36Å
418K93Very high91.8Very high158 Ų15882.2 Ų82.269%0.68738%0.375SS*.THydrogen-bonded Turntrans-56.1-24.9-173.8-175.3-179.1-180-169.60114.3K414 I426K414-K418 WeakPolarHBondContact O-CB 3.43Å; K414-K418 PolarHBondContact O-N 3.04Å; K418-I426 HydrophobicContact CB-CD1 4.3Å
419K88.6Confident92.2Very high196 Ų19684.2 Ų84.285%0.85238%0.384SS*.THydrogen-bonded Turntrans-88.4-7.4177.6-65.5-173.6178.6-176.60114L417L417-K419 PolarHBondContact O-N 3.29Å
420K89.7Confident92.4Very high102 Ų10282.2 Ų82.244%0.44337%0.37SS..THydrogen-bonded Turntrans-121.7-32-168.1-59.9-179.9178.5-179.50113.2L374 L417L374-K420 HydrophobicContact CD1-CB 4.05Å; L374-K420 HydrophobicContact CD1-CD 4.38Å; L374-K420 HydrophobicContact CD2-CD 4.32Å; L417-K420 PolarHBondContact O-N 3.37Å
421V91.6Very high92.5Very high16 Ų1682.2 Ų82.210%0.09737%0.37CS..SBendtrans-133.1162.2-175.5-56.50000111.5V371 L374 L417 E425 I426V371-V421 HydrophobicContact CG2-CG1 4.4Å; L374-V421 HydrophobicContact CD1-CG1 3.54Å; L417-V421 HydrophobicContact CB-CG2 3.86Å; L417-V421 HydrophobicContact CD2-CG2 4.38Å; L417-V421 WeakPolarHBondContact O-CG2 3.31Å; L417-V421 PolarHBondContact O-N 3.27Å; V421-E425 HydrophobicContact CB-CB 3.95Å; V421-E425 HydrophobicContact CG2-CB 4.01Å; V421-I426 HydrophobicContact CG2-CG1 3.91Å
422K90.1Very high92.6Very high111 Ų11178.8 Ų78.848%0.48336%0.357SS..  trans-70160177-60.4178.3-175.7176.30110.8N308 Y424 E425N308-K422 PolarHBondContact OD1-NZ 3.24Å; K422-Y424 VanDerWaalsContact C-N 3.28Å; K422-Y424 PolarHBondContact O-N 3.18Å; K422-E425 HydrophobicContact CB-CG 4.4Å; K422-E425 VanDerWaalsContact CB-OE2 3.27Å; K422-E425 WeakPolarHBondContact CB-OE2 3.46Å; K422-E425 WeakPolarHBondContact CG-OE2 3.31Å; K422-E425 PolarHBondContact N-OE2 3.4Å; K422-E425 WeakPolarHBondContact O-CB 3.25Å; K422-E425 PolarHBondContact O-N 3.22Å
423R91.3Very high92.8Very high208 Ų20875 Ų7579%0.78534%0.337SS*.G310 helixtrans-52.9-41.9-177.9179.5-177.5173.7-174.9-0.7113.5E425 I426R423-E425 VanDerWaalsContact C-N 3.26Å; R423-E425 PolarHBondContact O-N 3.32Å; R423-I426 PolarHBondContact O-N 3.25Å
424Y89.8Confident92.7Very high106 Ų10683.9 Ų83.942%0.41638%0.378SS..G310 helixtrans-74.4-15.6-176.6-67-80.1000113.6I361 Q364 K422I361-Y424 HydrophobicContact CG2-CD1 4.42Å; Q364-Y424 HydrophobicContact CG-CD2 4.22Å; Q364-Y424 HydrophobicContact CG-CG 4.33Å; K422-Y424 VanDerWaalsContact C-N 3.28Å; K422-Y424 PolarHBondContact O-N 3.18Å
425E92.7Very high92.5Very high32 Ų3285.2 Ų85.215%0.1538%0.383CS..G310 helixtrans-84.7-14.8176.1-61.2176.784.200112.2I366 H370 V371 V421 K422 R423 P427I366-E425 HydrophobicContact CD1-CG 3.91Å; I366-E425 HydrophobicContact CG2-CB 4.49Å; I366-E425 HydrophobicContact CG2-CG 4.31Å; H370-E425 IonicContact CD2-OE1 3.87Å; V371-E425 HydrophobicContact CG2-CB 3.97Å; V421-E425 HydrophobicContact CB-CB 3.95Å; V421-E425 HydrophobicContact CG2-CB 4.01Å; K422-E425 HydrophobicContact CB-CG 4.4Å; K422-E425 VanDerWaalsContact CB-OE2 3.27Å; K422-E425 WeakPolarHBondContact CB-OE2 3.46Å; K422-E425 WeakPolarHBondContact CG-OE2 3.31Å; K422-E425 PolarHBondContact N-OE2 3.4Å; K422-E425 WeakPolarHBondContact O-CB 3.25Å; K422-E425 PolarHBondContact O-N 3.22Å; R423-E425 VanDerWaalsContact C-N 3.26Å; R423-E425 PolarHBondContact O-N 3.32Å; E425-P427 WeakPolarHBondContact O-CD 3.45Å
426I95.6Very high92.5Very high20 Ų2079 Ų7910%0.10335%0.354CS..SBendtrans-76.3123.1177.6-56.8178.5000108.5K414 L417 K418 V421 R423 S428K414-I426 HydrophobicContact CB-CG2 4.16Å; K414-I426 HydrophobicContact CG-CD1 4.22Å; K414-I426 HydrophobicContact CG-CG2 4.2Å; L417-I426 HydrophobicContact CB-CD1 4.37Å; L417-I426 HydrophobicContact CB-CG1 4.04Å; L417-I426 HydrophobicContact CD1-CG2 4.36Å; K418-I426 HydrophobicContact CB-CD1 4.3Å; V421-I426 HydrophobicContact CG2-CG1 3.91Å; R423-I426 PolarHBondContact O-N 3.25Å; I426-S428 PolarHBondContact O-N 3.33Å
427P95.9Very high92.5Very high3 Ų379.4 Ų79.42%0.01936%0.355CS..  trans-54.1135.1178.1-27.235.9000112.3I386 G398 L400 H410 E425I386-P427 HydrophobicContact CD1-CG 3.63Å; I386-P427 HydrophobicContact CG1-CG 3.93Å; G398-P427 CarbonylContact O-C 3.45Å; L400-P427 HydrophobicContact CB-CB 3.84Å; L400-P427 HydrophobicContact CB-CG 3.89Å; H410-P427 PolarHBondContact NE2-O 2.98Å; E425-P427 WeakPolarHBondContact O-CD 3.45Å
428S95.8Very high91.9Very high59 Ų5984.1 Ų84.141%0.41337%0.373SS..SBendtrans-73-33178.1-66.60000111.7G398 H410 I426G398-S428 PolarHBondContact O-N 3.26Å; H410-S428 PolarHBondContact NE2-O 3.35Å; I426-S428 PolarHBondContact O-N 3.33Å
429M94.9Very high90.8Very high71 Ų7177.7 Ų77.735%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-131.3154.1179-61178.167.100110.3I397 G398 V399 L400 H431I397-M429 HydrophobicContact CD1-SD 4.16Å; G398-M429 PolarHBondContact O-N 3.24Å; V399-M429 WeakPolarHBondContact CA-O 3.41Å; V399-M429 HydrophobicContact CB-CB 4.45Å; V399-M429 HydrophobicContact CG1-CB 4.04Å; V399-M429 HydrophobicContact CG2-CB 4.13Å; L400-M429 PolarHBondContact N-O 2.59Å; M429-H431 WeakPolarHBondContact CE-NE2 3.41Å
430I94.9Very high89.2Confident28 Ų2871.6 Ų71.614%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-140.5119.7-177.8-54.8-175.5000108.7L400 Y402 H410 V413L400-I430 HydrophobicContact CB-CB 4.46Å; L400-I430 HydrophobicContact CB-CG1 4.13Å; L400-I430 HydrophobicContact CB-CG2 4.32Å; L400-I430 HydrophobicContact CD2-CD1 4.25Å; L400-I430 HydrophobicContact CD2-CG1 4.28Å; L400-I430 HydrophobicContact CD2-CG2 3.89Å; L400-I430 HydrophobicContact CG-CG2 4.22Å; L400-I430 CarbonylContact O-C 3.54Å; L400-I430 WeakPolarHBondContact O-CA 3.44Å; Y402-I430 HydrophobicContact CD1-CG2 3.73Å; Y402-I430 HydrophobicContact CE1-CG2 3.54Å; H410-I430 HydrophobicContact CB-CD1 4.4Å; V413-I430 HydrophobicContact CB-CD1 3.31Å; V413-I430 HydrophobicContact CG1-CD1 3.59Å; V413-I430 HydrophobicContact CG2-CD1 3.52Å
431H95Very high87.7Confident76 Ų7668.7 Ų68.735%0.35233%0.326SS..EExtended strand (participates in β ladder)trans-124.9127.4-178.4-75.7-145.8000108.9L400 L401 Y402 M429 Y453L400-H431 PolarHBondContact O-N 3.22Å; L401-H431 WeakPolarHBondContact CA-O 3.37Å; L401-H431 HydrophobicContact CD2-CB 3.91Å; Y402-H431 VanDerWaalsContact CD1-O 3.23Å; Y402-H431 WeakPolarHBondContact CD1-O 3.43Å; Y402-H431 PolarHBondContact N-O 3.34Å; Y402-H431 VanDerWaalsContact N-O 3.1Å; M429-H431 WeakPolarHBondContact CE-NE2 3.41Å; H431-Y453 HydrophobicContact CB-CE2 4.29Å; H431-Y453 AromaticContact CE1-CE2 3.61Å; H431-Y453 AromaticContact CE1-CZ 3.82Å; H431-Y453 PolarHBondContact CE1-OH 2.71Å; H431-Y453 VanDerWaalsContact CE1-OH 3.27Å; H431-Y453 AromaticContact CG-CE2 3.77Å; H431-Y453 AromaticContact ND1-CE2 3.31Å; H431-Y453 VanDerWaalsContact ND1-CE2 3.31Å; H431-Y453 WeakPolarHBondContact ND1-CE2 3.4Å; H431-Y453 PolarHBondContact NE2-OH 2.87Å
432H94.8Very high86.4Confident83 Ų8370.4 Ų70.438%0.38435%0.346SS..EExtended strand (participates in β ladder)trans-76.1135.8168.7-174.5-121.1000108Y402 G404Y402-H432 VanDerWaalsContact CE1-CA 3.5Å; Y402-H432 HydrophobicContact CE1-CB 3.79Å; Y402-H432 HydrophobicContact CE2-CB 4.47Å; Y402-H432 AromaticContact CE2-CD2 3.54Å; Y402-H432 AromaticContact CZ-CD2 3.67Å; Y402-H432 WeakPolarHBondContact O-CA 3.33Å; Y402-H432 PolarHBondContact O-CD2 3.41Å; G404-H432 PolarHBondContact O-NE2 3.48Å
433V94.3Very high85.7Confident2 Ų270.2 Ų70.21%0.01235%0.345CS..  trans-120139.3178.4-600000109.6L401 Y402 K435 M436 M449 L458L401-V433 HydrophobicContact CB-CG1 4.08Å; L401-V433 HydrophobicContact CD2-CG1 4.3Å; Y402-V433 PolarHBondContact O-N 3.42Å; V433-K435 PolarHBondContact O-N 3.34Å; V433-M436 HydrophobicContact CG2-CE 3.62Å; V433-M436 HydrophobicContact CG2-SD 3.88Å; V433-M449 HydrophobicContact CG2-CE 4.37Å; V433-L458 HydrophobicContact CG1-CB 4.11Å; V433-L458 HydrophobicContact CG1-CD1 4.27Å
434E89.3Confident85.4Confident191 Ų19162 Ų6289%0.89332%0.317SS*.SBendtrans-64.7-31.9178.4-65-173.316800112
435K88.8Confident85.3Confident130 Ų13057.6 Ų57.657%0.56530%0.302SS*.  trans-151.2140-176.4-179.7172.5179178.40112.6V433V433-K435 PolarHBondContact O-N 3.34Å
436M92.4Very high85.2Confident2 Ų257.8 Ų57.81%0.0130%0.302CS..  trans-86.1143.2166.7-66.8-65.317900111.3E383 I385 V433 Y438 I444 M449E383-M436 HydrophobicContact CB-CE 4.19Å; E383-M436 HydrophobicContact CB-CG 4.07Å; E383-M436 VanDerWaalsContact OE2-CG 3.32Å; E383-M436 WeakPolarHBondContact OE2-CG 3.35Å; I385-M436 HydrophobicContact CG2-CE 4.44Å; I385-M436 HydrophobicContact CG2-SD 4.27Å; V433-M436 HydrophobicContact CG2-CE 3.62Å; V433-M436 HydrophobicContact CG2-SD 3.88Å; M436-Y438 HydrophobicContact CB-CE1 4.2Å; M436-Y438 HydrophobicContact CB-CE2 4.24Å; M436-Y438 WeakPolarHBondContact O-CE2 3.5Å; M436-I444 HydrophobicContact CG-CD1 4.38Å; M436-I444 HydrophobicContact SD-CD1 4.36Å; M436-I444 HydrophobicContact SD-CG2 4.25Å; M436-M449 HydrophobicContact SD-CE 3.6Å; M436-M449 HydrophobicContact SD-SD 4.41Å
437Y89.6Confident85Confident74 Ų7462.6 Ų62.629%0.2932%0.324SS..  trans-102.6138.4171.9-70.3-93.5000110.4A445 K448 M449 M452 L458Y437-A445 PolarHBondContact O-N 2.98Å; Y437-K448 HydrophobicContact CD1-CD 4.49Å; Y437-K448 HydrophobicContact CG-CD 4.41Å; Y437-M449 HydrophobicContact CD2-SD 3.78Å; Y437-M449 HydrophobicContact CG-SD 4.31Å; Y437-M449 PolarHBondContact N-SD 3.48Å; Y437-M452 HydrophobicContact CD1-SD 4.34Å; Y437-M452 HydrophobicContact CD2-CE 4.08Å; Y437-M452 HydrophobicContact CD2-SD 3.52Å; Y437-M452 VanDerWaalsContact CD2-SD 3.52Å; Y437-M452 HydrophobicContact CE1-CE 4.42Å; Y437-M452 HydrophobicContact CE1-SD 4.26Å; Y437-M452 HydrophobicContact CE2-CE 3.37Å; Y437-M452 HydrophobicContact CE2-SD 3.46Å; Y437-M452 WeakPolarHBondContact CE2-SD 3.49Å; Y437-M452 HydrophobicContact CG-SD 3.97Å; Y437-L458 HydrophobicContact CD2-CD2 4.43Å; Y437-L458 HydrophobicContact CE2-CD2 4.14Å
438Y81.2Confident84.7Confident98 Ų9867.3 Ų67.338%0.38434%0.344SS..BIsolated β-bridgetrans-114.4155.9-172.2-52.4-86.5000112.3E383 M436 G442 K443 I444E383-Y438 WeakPolarHBondContact OE1-CE1 2.96Å; E383-Y438 PolarHBondContact OE1-OH 3.42Å; E383-Y438 PolarHBondContact OE2-OH 3.39Å; M436-Y438 HydrophobicContact CB-CE1 4.2Å; M436-Y438 HydrophobicContact CB-CE2 4.24Å; M436-Y438 WeakPolarHBondContact O-CE2 3.5Å; Y438-G442 WeakPolarHBondContact CD1-O 3.42Å; Y438-K443 CarbonylContact C-O 3.51Å; Y438-K443 WeakPolarHBondContact CA-O 3.31Å; Y438-K443 WeakPolarHBondContact CB-O 3.43Å; Y438-I444 HydrophobicContact CD1-CG1 4.31Å; Y438-I444 HydrophobicContact CE1-CG1 4.06Å
439T70.6Confident84.7Confident24 Ų2464.5 Ų64.515%0.14732%0.324CS..  trans-69.7170.7166.6620000110.2S441 G442 K443 A445T439-S441 PolarHBondContact O-N 3.11Å; T439-S441 VanDerWaalsContact O-N 3.08Å; T439-S441 PolarHBondContact OG1-N 3.21Å; T439-S441 PolarHBondContact OG1-OG 3.04Å; T439-G442 PolarHBondContact O-N 2.86Å; T439-G442 PolarHBondContact OG1-N 2.94Å; T439-K443 PolarHBondContact N-O 3.49Å; T439-K443 PolarHBondContact OG1-N 3.18Å; T439-K443 PolarHBondContact OG1-O 3.09Å; T439-A445 HydrophobicContact CG2-CB 3.88Å
440A54.8Low84.7Confident68 Ų6864 Ų6456%0.56232%0.322SS*.THydrogen-bonded Turntrans-57.8-22.8172.200000112.9
441S58.9Low84.6Confident41 Ų4165.2 Ų65.229%0.28733%0.333SS..THydrogen-bonded Turntrans-89.20.5176.152.90000115.5S135 T439S135-S441 VanDerWaalsContact CB-CB 3.48Å; S135-S441 VanDerWaalsContact O-CB 3.26Å; S135-S441 WeakPolarHBondContact O-CB 3.34Å; S135-S441 PolarHBondContact O-OG 3.42Å; T439-S441 PolarHBondContact O-N 3.11Å; T439-S441 VanDerWaalsContact O-N 3.08Å; T439-S441 PolarHBondContact OG1-N 3.21Å; T439-S441 PolarHBondContact OG1-OG 3.04Å
442G64.1Low84.6Confident51 Ų5162.1 Ų62.153%0.52632%0.319SS..SBendtrans81.410178.700000115.1Y438 T439Y438-G442 WeakPolarHBondContact CD1-O 3.42Å; T439-G442 PolarHBondContact O-N 2.86Å; T439-G442 PolarHBondContact OG1-N 2.94Å
443K75.2Confident84.7Confident107 Ų10759.7 Ų59.747%0.46531%0.306SS..SBendtrans-85.1151.3170.6-63.9-168.8176.9-169.50110.2T137 Y438 T439 A445T137-K443 HydrophobicContact CG2-CD 4.28Å; Y438-K443 CarbonylContact C-O 3.51Å; Y438-K443 WeakPolarHBondContact CA-O 3.31Å; Y438-K443 WeakPolarHBondContact CB-O 3.43Å; T439-K443 PolarHBondContact N-O 3.49Å; T439-K443 PolarHBondContact OG1-N 3.18Å; T439-K443 PolarHBondContact OG1-O 3.09Å; K443-A445 PolarHBondContact O-N 2.93Å
444I85.8Confident84.8Confident35 Ų3564.2 Ų64.218%0.17933%0.33CS..BIsolated β-bridgetrans-58.6124.1174.2-57.6171.7000109E383 I385 M436 Y438 R446 M449E383-I444 HydrophobicContact CB-CD1 4.01Å; I385-I444 HydrophobicContact CB-CD1 4.47Å; I385-I444 HydrophobicContact CB-CG2 4.01Å; I385-I444 HydrophobicContact CD1-CB 4.23Å; I385-I444 HydrophobicContact CD1-CG2 4.06Å; I385-I444 HydrophobicContact CG1-CG2 4.05Å; I385-I444 HydrophobicContact CG2-CG2 4.11Å; M436-I444 HydrophobicContact CG-CD1 4.38Å; M436-I444 HydrophobicContact SD-CD1 4.36Å; M436-I444 HydrophobicContact SD-CG2 4.25Å; Y438-I444 HydrophobicContact CD1-CG1 4.31Å; Y438-I444 HydrophobicContact CE1-CG1 4.06Å; I444-R446 PolarHBondContact O-N 3.17Å; I444-M449 HydrophobicContact CG2-CG 3.85Å
445A86.5Confident85.1Confident14 Ų1462.2 Ų62.212%0.11631%0.314CS..  trans-8181.4-178.400000110.2Y437 T439 K443 E447 K448 M449Y437-A445 PolarHBondContact O-N 2.98Å; T439-A445 HydrophobicContact CG2-CB 3.88Å; K443-A445 PolarHBondContact O-N 2.93Å; A445-E447 VanDerWaalsContact C-N 3.3Å; A445-E447 PolarHBondContact O-N 2.72Å; A445-K448 HydrophobicContact CB-CB 3.86Å; A445-K448 PolarHBondContact O-N 2.95Å; A445-M449 WeakPolarHBondContact O-CG 3.41Å; A445-M449 PolarHBondContact O-N 3.33Å
446R92Very high85.3Confident37 Ų3759.1 Ų59.114%0.1432%0.32CS..Hα-helixtrans-48.7-46.1-174.7-173.5177.2-76.197.1-4.3113.7D357 E372 I385 I386 I387 I444 M449 M450D357-R446 IonicContact OD1-CZ 2.9Å; D357-R446 IonicContact OD1-NE 3.68Å; D357-R446 IonicContact OD1-NH1 3.03Å; D357-R446 PolarHBondContact OD1-NH1 3.22Å; D357-R446 IonicContact OD2-CZ 3.72Å; D357-R446 IonicContact OD2-NH1 3.67Å; D357-R446 PolarHBondContact OD2-NH1 2.92Å; E372-R446 VanDerWaalsContact CD-NH2 3.31Å; E372-R446 IonicContact OE1-CZ 3.38Å; E372-R446 IonicContact OE1-NE 3.83Å; E372-R446 IonicContact OE1-NH2 3.25Å; E372-R446 PolarHBondContact OE1-NH2 3.36Å; E372-R446 IonicContact OE2-NH2 3.35Å; E372-R446 PolarHBondContact OE2-NH2 2.98Å; I385-R446 HydrophobicContact CD1-CB 4.18Å; I385-R446 HydrophobicContact CD1-CG 4.33Å; I385-R446 HydrophobicContact CG1-CB 4.16Å; I385-R446 HydrophobicContact CG1-CG 4Å; I386-R446 PolarHBondContact O-NE 2.78Å; I387-R446 HydrophobicContact CG2-CG 3.98Å; I444-R446 PolarHBondContact O-N 3.17Å; R446-M449 PolarHBondContact O-N 3.07Å; R446-M450 WeakPolarHBondContact O-CB 3.4Å; R446-M450 PolarHBondContact O-N 3.02Å
447E89.5Confident85.3Confident121 Ų12163.4 Ų63.457%0.56534%0.34SS*.Hα-helixtrans-63.3-45.6178.3-68.4-176.4171.800112.2A445 M449 M450 S451A445-E447 VanDerWaalsContact C-N 3.3Å; A445-E447 PolarHBondContact O-N 2.72Å; E447-M449 PolarHBondContact O-N 3.12Å; E447-M450 WeakPolarHBondContact O-CB 3.31Å; E447-M450 PolarHBondContact O-N 3.23Å; E447-S451 PolarHBondContact O-N 3.2Å; E447-S451 PolarHBondContact O-OG 3.31Å; E447-S451 VanDerWaalsContact O-OG 3.13Å
448K90.4Very high85.3Confident101 Ų10163.1 Ų63.144%0.43934%0.343SS..Hα-helixtrans-62.9-44.8176.8-179.3172.7176.2174.70111.2Y437 A445 M450 S451 M452Y437-K448 HydrophobicContact CD1-CD 4.49Å; Y437-K448 HydrophobicContact CG-CD 4.41Å; A445-K448 HydrophobicContact CB-CB 3.86Å; A445-K448 PolarHBondContact O-N 2.95Å; K448-M450 VanDerWaalsContact C-N 3.3Å; K448-M450 PolarHBondContact O-N 2.95Å; K448-S451 PolarHBondContact O-N 2.87Å; K448-M452 HydrophobicContact CG-CG 4.38Å; K448-M452 HydrophobicContact CG-SD 4.15Å; K448-M452 WeakPolarHBondContact O-CB 3.29Å; K448-M452 VanDerWaalsContact O-CG 3.29Å; K448-M452 WeakPolarHBondContact O-CG 3.38Å; K448-M452 PolarHBondContact O-N 2.9Å
449M94.8Very high85.5Confident0 Ų061.4 Ų61.40%034%0.341CS..Hα-helixtrans-58.1-44175.5-67.3-58.3-63.800111.1I385 L401 V433 M436 Y437 I444 A445 R446 E447 M452 Y453 L458I385-M449 HydrophobicContact CG2-CG 4.48Å; L401-M449 HydrophobicContact CD1-CB 4.07Å; L401-M449 HydrophobicContact CD1-CE 3.97Å; V433-M449 HydrophobicContact CG2-CE 4.37Å; M436-M449 HydrophobicContact SD-CE 3.6Å; M436-M449 HydrophobicContact SD-SD 4.41Å; Y437-M449 HydrophobicContact CD2-SD 3.78Å; Y437-M449 HydrophobicContact CG-SD 4.31Å; Y437-M449 PolarHBondContact N-SD 3.48Å; I444-M449 HydrophobicContact CG2-CG 3.85Å; A445-M449 WeakPolarHBondContact O-CG 3.41Å; A445-M449 PolarHBondContact O-N 3.33Å; R446-M449 PolarHBondContact O-N 3.07Å; E447-M449 PolarHBondContact O-N 3.12Å; M449-M452 PolarHBondContact O-N 3.42Å; M449-Y453 WeakPolarHBondContact O-CB 3.42Å; M449-Y453 PolarHBondContact O-N 3.03Å; M449-L458 HydrophobicContact CE-CD1 3.69Å; M449-L458 HydrophobicContact CE-CD2 4.1Å; M449-L458 WeakPolarHBondContact O-CD1 3.32Å
450M94.9Very high86.3Confident60 Ų6063.4 Ų63.430%0.29635%0.351SS..Hα-helixtrans-61.7-47.4174.9-176.3-176.771.500112.3I387 R446 E447 K448 M452 Y453 L454I387-M450 HydrophobicContact CB-CB 4.08Å; I387-M450 HydrophobicContact CB-CG 4.27Å; I387-M450 HydrophobicContact CD1-CB 4.18Å; I387-M450 HydrophobicContact CD1-CG 4.26Å; I387-M450 HydrophobicContact CG2-CB 3.93Å; R446-M450 WeakPolarHBondContact O-CB 3.4Å; R446-M450 PolarHBondContact O-N 3.02Å; E447-M450 WeakPolarHBondContact O-CB 3.31Å; E447-M450 PolarHBondContact O-N 3.23Å; K448-M450 VanDerWaalsContact C-N 3.3Å; K448-M450 PolarHBondContact O-N 2.95Å; M450-M452 VanDerWaalsContact C-N 3.33Å; M450-M452 PolarHBondContact O-N 3.22Å; M450-Y453 WeakPolarHBondContact O-CB 3.48Å; M450-Y453 PolarHBondContact O-N 3.45Å; M450-L454 HydrophobicContact CG-CD1 4.15Å; M450-L454 WeakPolarHBondContact O-CG 3.39Å; M450-L454 PolarHBondContact O-N 3.27Å
451S94.3Very high88Confident54 Ų5463.1 Ų63.138%0.37834%0.339SS..Hα-helixtrans-64.3-35178.4-60.20000113.1E447 K448 R455E447-S451 PolarHBondContact O-N 3.2Å; E447-S451 PolarHBondContact O-OG 3.31Å; E447-S451 VanDerWaalsContact O-OG 3.13Å; K448-S451 PolarHBondContact O-N 2.87Å; S451-R455 WeakPolarHBondContact O-CG 3.35Å; S451-R455 PolarHBondContact O-N 3.1Å; S451-R455 PolarHBondContact O-NE 3.13Å
452M95.3Very high89.7Confident11 Ų1164.4 Ų64.45%0.05434%0.342CS..Hα-helixtrans-71.3-43.2175-69.5-173.167.800111.4Y437 K448 M449 M450 L454 R455 G456 E457 L458Y437-M452 HydrophobicContact CD1-SD 4.34Å; Y437-M452 HydrophobicContact CD2-CE 4.08Å; Y437-M452 HydrophobicContact CD2-SD 3.52Å; Y437-M452 VanDerWaalsContact CD2-SD 3.52Å; Y437-M452 HydrophobicContact CE1-CE 4.42Å; Y437-M452 HydrophobicContact CE1-SD 4.26Å; Y437-M452 HydrophobicContact CE2-CE 3.37Å; Y437-M452 HydrophobicContact CE2-SD 3.46Å; Y437-M452 WeakPolarHBondContact CE2-SD 3.49Å; Y437-M452 HydrophobicContact CG-SD 3.97Å; K448-M452 HydrophobicContact CG-CG 4.38Å; K448-M452 HydrophobicContact CG-SD 4.15Å; K448-M452 WeakPolarHBondContact O-CB 3.29Å; K448-M452 VanDerWaalsContact O-CG 3.29Å; K448-M452 WeakPolarHBondContact O-CG 3.38Å; K448-M452 PolarHBondContact O-N 2.9Å; M449-M452 PolarHBondContact O-N 3.42Å; M450-M452 VanDerWaalsContact C-N 3.33Å; M450-M452 PolarHBondContact O-N 3.22Å; M452-L454 PolarHBondContact O-N 3.32Å; M452-R455 CarbonylContact O-C 3.52Å; M452-R455 PolarHBondContact O-N 2.85Å; M452-R455 VanDerWaalsContact O-N 3.13Å; M452-G456 PolarHBondContact O-N 3.06Å; M452-G456 VanDerWaalsContact O-N 3.15Å; M452-E457 HydrophobicContact CB-CB 4.17Å; M452-E457 HydrophobicContact CE-CB 3.93Å; M452-E457 PolarHBondContact O-N 2.77Å; M452-L458 HydrophobicContact CB-CD1 4.11Å; M452-L458 HydrophobicContact CB-CD2 4.04Å; M452-L458 HydrophobicContact CB-CG 3.76Å; M452-L458 HydrophobicContact CE-CD2 4Å; M452-L458 HydrophobicContact SD-CD2 4.43Å
453Y96.4Very high91.3Very high32 Ų3265.3 Ų65.313%0.12533%0.331CS..Hα-helixtrans-56.2-48.5174.4-178.3-92.6000112.1I387 I389 V399 L401 H431 M449 M450 R455 G456I387-Y453 HydrophobicContact CD1-CD1 3.83Å; I387-Y453 HydrophobicContact CD1-CD2 4.34Å; I387-Y453 HydrophobicContact CD1-CG 3.69Å; I389-Y453 HydrophobicContact CD1-CE1 4.07Å; I389-Y453 HydrophobicContact CG2-CD1 3.96Å; I389-Y453 HydrophobicContact CG2-CE1 4.01Å; V399-Y453 HydrophobicContact CG1-CE1 4.41Å; V399-Y453 HydrophobicContact CG1-CE2 3.74Å; V399-Y453 HydrophobicContact CG2-CE1 4.25Å; L401-Y453 HydrophobicContact CD1-CD2 4.47Å; L401-Y453 HydrophobicContact CD2-CD2 3.46Å; L401-Y453 VanDerWaalsContact CD2-CD2 3.46Å; L401-Y453 HydrophobicContact CD2-CE2 3.75Å; L401-Y453 HydrophobicContact CD2-CG 4.36Å; H431-Y453 HydrophobicContact CB-CE2 4.29Å; H431-Y453 AromaticContact CE1-CE2 3.61Å; H431-Y453 AromaticContact CE1-CZ 3.82Å; H431-Y453 PolarHBondContact CE1-OH 2.71Å; H431-Y453 VanDerWaalsContact CE1-OH 3.27Å; H431-Y453 AromaticContact CG-CE2 3.77Å; H431-Y453 AromaticContact ND1-CE2 3.31Å; H431-Y453 VanDerWaalsContact ND1-CE2 3.31Å; H431-Y453 WeakPolarHBondContact ND1-CE2 3.4Å; H431-Y453 PolarHBondContact NE2-OH 2.87Å; M449-Y453 WeakPolarHBondContact O-CB 3.42Å; M449-Y453 PolarHBondContact O-N 3.03Å; M450-Y453 WeakPolarHBondContact O-CB 3.48Å; M450-Y453 PolarHBondContact O-N 3.45Å; Y453-R455 PolarHBondContact O-N 2.88Å; Y453-G456 PolarHBondContact O-N 3.15Å
454L95.5Very high92.4Very high98 Ų9862.5 Ų62.551%0.51332%0.322SS..Hα-helixtrans-65.8-22.9179.9-70.8173.1000113.3I389 M450 M452I389-L454 HydrophobicContact CB-CD2 4.19Å; I389-L454 HydrophobicContact CG2-CD2 3.91Å; I389-L454 HydrophobicContact CG2-CG 4.48Å; M450-L454 HydrophobicContact CG-CD1 4.15Å; M450-L454 WeakPolarHBondContact O-CG 3.39Å; M450-L454 PolarHBondContact O-N 3.27Å; M452-L454 PolarHBondContact O-N 3.32Å
455R95.9Very high92.9Very high148 Ų14864.4 Ų64.456%0.55833%0.332SS*.THydrogen-bonded Turntrans-90.1-3.6175.1-71.8-178.3-68.4149.83.8113.4S451 M452 Y453 E457S451-R455 WeakPolarHBondContact O-CG 3.35Å; S451-R455 PolarHBondContact O-N 3.1Å; S451-R455 PolarHBondContact O-NE 3.13Å; M452-R455 CarbonylContact O-C 3.52Å; M452-R455 PolarHBondContact O-N 2.85Å; M452-R455 VanDerWaalsContact O-N 3.13Å; Y453-R455 PolarHBondContact O-N 2.88Å; R455-E457 VanDerWaalsContact C-N 3.35Å; R455-E457 HydrophobicContact CB-CG 3.88Å; R455-E457 IonicContact CZ-OE1 3.96Å; R455-E457 IonicContact CZ-OE2 3.71Å; R455-E457 IonicContact NE-OE1 3.07Å; R455-E457 PolarHBondContact NE-OE1 2.83Å; R455-E457 IonicContact NE-OE2 3.27Å; R455-E457 IonicContact NH1-OE1 3.94Å; R455-E457 PolarHBondContact NH1-OE1 3.26Å; R455-E457 IonicContact NH1-OE2 2.75Å; R455-E457 PolarHBondContact NH1-OE2 3.1Å; R455-E457 IonicContact NH2-OE1 2.74Å; R455-E457 IonicContact NH2-OE2 3.51Å; R455-E457 PolarHBondContact NH2-OE2 3.31Å
456G93.2Very high93.3Very high66 Ų6668.3 Ų68.368%0.6835%0.349SS*.THydrogen-bonded Turntrans7128.1-176.500000113.7M452 Y453M452-G456 PolarHBondContact O-N 3.06Å; M452-G456 VanDerWaalsContact O-N 3.15Å; Y453-G456 PolarHBondContact O-N 3.15Å
457E92.4Very high93.5Very high92 Ų9270.9 Ų70.943%0.4337%0.366SS..  trans-95.86.6-177.2-64.1173.4-175.100113.6M452 R455M452-E457 HydrophobicContact CB-CB 4.17Å; M452-E457 HydrophobicContact CE-CB 3.93Å; M452-E457 PolarHBondContact O-N 2.77Å; R455-E457 VanDerWaalsContact C-N 3.35Å; R455-E457 HydrophobicContact CB-CG 3.88Å; R455-E457 IonicContact CZ-OE1 3.96Å; R455-E457 IonicContact CZ-OE2 3.71Å; R455-E457 IonicContact NE-OE1 3.07Å; R455-E457 PolarHBondContact NE-OE1 2.83Å; R455-E457 IonicContact NE-OE2 3.27Å; R455-E457 IonicContact NH1-OE1 3.94Å; R455-E457 PolarHBondContact NH1-OE1 3.26Å; R455-E457 IonicContact NH1-OE2 2.75Å; R455-E457 PolarHBondContact NH1-OE2 3.1Å; R455-E457 IonicContact NH2-OE1 2.74Å; R455-E457 IonicContact NH2-OE2 3.51Å; R455-E457 PolarHBondContact NH2-OE2 3.31Å
458L88.7Confident93.8Very high68 Ų6866.4 Ų66.436%0.35635%0.348SS..  trans-119.80-177.2-67.3-178000113L401 V433 Y437 M449 M452L401-L458 HydrophobicContact CD1-CD1 3.7Å; V433-L458 HydrophobicContact CG1-CB 4.11Å; V433-L458 HydrophobicContact CG1-CD1 4.27Å; Y437-L458 HydrophobicContact CD2-CD2 4.43Å; Y437-L458 HydrophobicContact CE2-CD2 4.14Å; M449-L458 HydrophobicContact CE-CD1 3.69Å; M449-L458 HydrophobicContact CE-CD2 4.1Å; M449-L458 WeakPolarHBondContact O-CD1 3.32Å; M452-L458 HydrophobicContact CB-CD1 4.11Å; M452-L458 HydrophobicContact CB-CD2 4.04Å; M452-L458 HydrophobicContact CB-CG 3.76Å; M452-L458 HydrophobicContact CE-CD2 4Å; M452-L458 HydrophobicContact SD-CD2 4.43Å

Retrieved 458 of 458 residues in 271.4 ms (Link to these results)

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