A0A5K4F093_SCHMA Loading...

DFP domain-containing protein

AlphaFold DB (A0A5K4F223), UniProt , Accession A0A5K4F093, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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
1M56.1Low81.1Confident203 Ų20366.2 Ų66.2100%134%0.339SS*.  0128.70-153.3179.3-102.400107.1
2N75.3Confident81.5Confident81 Ų8163.8 Ų63.843%0.43333%0.325SS..  trans-66.3135.3-177.8-168.6-38.4000109.2L4 D5 S6 L290N2-L4 PolarHBondContact O-N 2.97Å; N2-L4 PolarHBondContact OD1-N 3.47Å; N2-D5 HydrophobicContact CB-CB 4.42Å; N2-D5 PolarHBondContact O-N 3.39Å; N2-S6 PolarHBondContact O-N 3.47Å; N2-S6 VanDerWaalsContact O-N 3.17Å; N2-L290 VanDerWaalsContact ND2-CD2 3.29Å; N2-L290 WeakPolarHBondContact ND2-CD2 3.33Å
3L79.2Confident81.7Confident152 Ų15268.6 Ų68.680%0.79635%0.35SS*.Hα-helixtrans-50-36.4178.7-17771000111.5S6 W7L3-S6 PolarHBondContact O-N 3.48Å; L3-W7 PolarHBondContact O-N 3.1Å
4L83.1Confident81.7Confident24 Ų2466.4 Ų66.413%0.12634%0.338CS..Hα-helixtrans-72.8-34179.3-177.652.2000113.5N2 W7 L8 P285 V287 L290N2-L4 PolarHBondContact O-N 2.97Å; N2-L4 PolarHBondContact OD1-N 3.47Å; L4-W7 HydrophobicContact CD1-CD2 4.29Å; L4-W7 HydrophobicContact CD1-CE3 3.46Å; L4-W7 VanDerWaalsContact CD1-CE3 3.46Å; L4-W7 HydrophobicContact CD1-CZ3 3.93Å; L4-W7 PolarHBondContact O-N 2.62Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 2.8Å; L4-P285 HydrophobicContact CD1-CB 3.29Å; L4-P285 HydrophobicContact CD1-CG 3.69Å; L4-P285 HydrophobicContact CD2-CB 3.81Å; L4-P285 HydrophobicContact CG-CB 4.21Å; L4-V287 HydrophobicContact CD2-CG1 4.14Å; L4-L290 HydrophobicContact CB-CD1 3.92Å; L4-L290 HydrophobicContact CD2-CD1 3.39Å; L4-L290 HydrophobicContact CD2-CG 4.11Å; L4-L290 HydrophobicContact CG-CD1 3.51Å
5D81.1Confident81.5Confident15 Ų1562.6 Ų62.68%0.0832%0.319CS..Hα-helixtrans-66.8-41.4173.5-76.7-47.1000110.7N2 W7 L8 D9 R202 L294 W295N2-D5 HydrophobicContact CB-CB 4.42Å; N2-D5 PolarHBondContact O-N 3.39Å; D5-W7 VanDerWaalsContact C-N 3.31Å; D5-W7 PolarHBondContact O-N 3.48Å; D5-L8 PolarHBondContact O-N 2.95Å; D5-L8 VanDerWaalsContact O-N 3.16Å; D5-D9 PolarHBondContact O-N 3.27Å; D5-R202 PolarHBondContact O-NH1 2.76Å; D5-L294 WeakPolarHBondContact OD2-CD2 3.4Å; D5-W295 PolarHBondContact OD1-NE1 2.62Å
6S84.1Confident80.8Confident62 Ų6262.3 Ų62.343%0.43432%0.324SS..Hα-helixtrans-63.2-37.6175.8176.40000112.2N2 L3 D9 K10N2-S6 PolarHBondContact O-N 3.47Å; N2-S6 VanDerWaalsContact O-N 3.17Å; L3-S6 PolarHBondContact O-N 3.48Å; S6-D9 PolarHBondContact O-N 3.26Å; S6-K10 PolarHBondContact O-N 3.2Å
7W85.6Confident79.8Confident44 Ų4463.8 Ų63.817%0.16734%0.341CS..Hα-helixtrans-64.9-41.4172.6176.380.8000112.3L3 L4 D5 D9 K10 L11 L198 Y236 P285L3-W7 PolarHBondContact O-N 3.1Å; L4-W7 HydrophobicContact CD1-CD2 4.29Å; L4-W7 HydrophobicContact CD1-CE3 3.46Å; L4-W7 VanDerWaalsContact CD1-CE3 3.46Å; L4-W7 HydrophobicContact CD1-CZ3 3.93Å; L4-W7 PolarHBondContact O-N 2.62Å; D5-W7 VanDerWaalsContact C-N 3.31Å; D5-W7 PolarHBondContact O-N 3.48Å; W7-D9 VanDerWaalsContact C-N 3.34Å; W7-K10 WeakPolarHBondContact O-CB 3.43Å; W7-K10 PolarHBondContact O-N 2.99Å; W7-L11 HydrophobicContact CD2-CD1 3.96Å; W7-L11 HydrophobicContact CD2-CG 4.33Å; W7-L11 HydrophobicContact CE3-CD1 3.83Å; W7-L11 HydrophobicContact CH2-CD1 3.35Å; W7-L11 HydrophobicContact CZ2-CD1 3.43Å; W7-L11 VanDerWaalsContact CZ2-CD1 3.43Å; W7-L11 HydrophobicContact CZ2-CG 4.21Å; W7-L11 HydrophobicContact CZ3-CD1 3.55Å; W7-L11 WeakPolarHBondContact O-CG 3.42Å; W7-L11 PolarHBondContact O-N 3.33Å; W7-L198 HydrophobicContact CH2-CD1 3.68Å; W7-L198 HydrophobicContact CZ3-CD1 3.85Å; W7-Y236 HydrophobicContact CZ2-CD2 4.31Å; W7-Y236 HydrophobicContact CZ2-CE1 4.22Å; W7-Y236 AromaticContact CZ2-CE2 3.58Å; W7-Y236 HydrophobicContact CZ2-CE2 3.58Å; W7-Y236 AromaticContact CZ2-CZ 3.53Å; W7-Y236 PolarHBondContact NE1-OH 2.84Å; W7-P285 HydrophobicContact CD2-CG 4.46Å; W7-P285 HydrophobicContact CE3-CG 4.2Å; W7-P285 HydrophobicContact CH2-CG 4.04Å; W7-P285 HydrophobicContact CZ2-CG 4.34Å; W7-P285 HydrophobicContact CZ3-CG 3.97Å
8L87.6Confident78.8Confident0 Ų067.1 Ų67.10%035%0.348CS..Hα-helixtrans-66.7-35.1174.9-72170.3000112.3L4 D5 L11 E12 L198 R202 W295L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 2.8Å; D5-L8 PolarHBondContact O-N 2.95Å; D5-L8 VanDerWaalsContact O-N 3.16Å; L8-L11 HydrophobicContact CD2-CD1 4.31Å; L8-L11 PolarHBondContact O-N 3.03Å; L8-E12 WeakPolarHBondContact O-CB 3.15Å; L8-E12 PolarHBondContact O-N 3.45Å; L8-L198 HydrophobicContact CD2-CB 3.82Å; L8-R202 VanDerWaalsContact CB-CZ 3.48Å; L8-W295 HydrophobicContact CD1-CH2 3.63Å; L8-W295 HydrophobicContact CD1-CZ2 3.37Å
9D87.2Confident77.8Confident54 Ų5467 Ų6729%0.28935%0.345SS..Hα-helixtrans-64.4-42.3173.6-63.7-20.6000110.9D5 S6 W7 E12 I13 R202D5-D9 PolarHBondContact O-N 3.27Å; S6-D9 PolarHBondContact O-N 3.26Å; W7-D9 VanDerWaalsContact C-N 3.34Å; D9-E12 PolarHBondContact O-N 3.1Å; D9-I13 WeakPolarHBondContact O-CD1 3.26Å; D9-I13 VanDerWaalsContact O-CG1 3.28Å; D9-I13 WeakPolarHBondContact O-CG1 3.35Å; D9-I13 PolarHBondContact O-N 3.5Å; D9-R202 IonicContact OD1-CZ 3.72Å; D9-R202 VanDerWaalsContact OD1-CZ 3.23Å; D9-R202 IonicContact OD1-NH1 2.61Å; D9-R202 PolarHBondContact OD1-NH1 3.44Å; D9-R202 IonicContact OD1-NH2 2.72Å; D9-R202 PolarHBondContact OD1-NH2 3.49Å
10K87.3Confident76.9Confident89 Ų8971.1 Ų71.139%0.38737%0.368SS..Hα-helixtrans-59.6-48.1172.7-178.7179.4171.5-176.70111.2S6 W7 E12 I13 E14 E240S6-K10 PolarHBondContact O-N 3.2Å; W7-K10 WeakPolarHBondContact O-CB 3.43Å; W7-K10 PolarHBondContact O-N 2.99Å; K10-E12 VanDerWaalsContact C-N 3.3Å; K10-E12 PolarHBondContact O-N 3.37Å; K10-I13 PolarHBondContact O-N 2.92Å; K10-E14 WeakPolarHBondContact CE-OE1 3.39Å; K10-E14 IonicContact NZ-OE1 3.61Å; K10-E14 WeakPolarHBondContact O-CG 3.37Å; K10-E14 PolarHBondContact O-N 2.84Å; K10-E240 IonicContact NZ-OE1 2.59Å; K10-E240 PolarHBondContact NZ-OE1 3.3Å
11L86.1Confident76.9Confident4 Ų471.9 Ų71.92%0.02137%0.373CS..Hα-helixtrans-60.6-38.9177.1-75.2-177.9000112.7W7 L8 E14 N15 E195 I199W7-L11 HydrophobicContact CD2-CD1 3.96Å; W7-L11 HydrophobicContact CD2-CG 4.33Å; W7-L11 HydrophobicContact CE3-CD1 3.83Å; W7-L11 HydrophobicContact CH2-CD1 3.35Å; W7-L11 HydrophobicContact CZ2-CD1 3.43Å; W7-L11 VanDerWaalsContact CZ2-CD1 3.43Å; W7-L11 HydrophobicContact CZ2-CG 4.21Å; W7-L11 HydrophobicContact CZ3-CD1 3.55Å; W7-L11 WeakPolarHBondContact O-CG 3.42Å; W7-L11 PolarHBondContact O-N 3.33Å; L8-L11 HydrophobicContact CD2-CD1 4.31Å; L8-L11 PolarHBondContact O-N 3.03Å; L11-E14 PolarHBondContact O-N 3.41Å; L11-N15 WeakPolarHBondContact O-CB 3.47Å; L11-N15 PolarHBondContact O-N 3.2Å; L11-N15 PolarHBondContact O-ND2 3.15Å; L11-N15 VanDerWaalsContact O-ND2 3.11Å; L11-E195 HydrophobicContact CD1-CG 4.3Å; L11-E195 HydrophobicContact CD2-CG 3.99Å; L11-I199 HydrophobicContact CB-CD1 4.15Å; L11-I199 HydrophobicContact CB-CG1 4.46Å
12E85.2Confident78.1Confident37 Ų3767.3 Ų67.317%0.17334%0.344CS..Hα-helixtrans-66.2-41.4178.6-174.9165-15400111.7L8 D9 K10 N15 S16 R22 I199 R202L8-E12 WeakPolarHBondContact O-CB 3.15Å; L8-E12 PolarHBondContact O-N 3.45Å; D9-E12 PolarHBondContact O-N 3.1Å; K10-E12 VanDerWaalsContact C-N 3.3Å; K10-E12 PolarHBondContact O-N 3.37Å; E12-N15 PolarHBondContact O-N 2.97Å; E12-S16 PolarHBondContact O-N 3.06Å; E12-S16 PolarHBondContact O-OG 3.24Å; E12-R22 IonicContact OE1-CZ 3.23Å; E12-R22 IonicContact OE1-NH1 2.64Å; E12-R22 PolarHBondContact OE1-NH1 2.87Å; E12-R22 IonicContact OE1-NH2 2.72Å; E12-I199 HydrophobicContact CB-CD1 4.34Å; E12-I199 HydrophobicContact CB-CG1 4.42Å; E12-I199 HydrophobicContact CB-CG2 4.41Å; E12-I199 HydrophobicContact CG-CG2 4.18Å; E12-R202 IonicContact OE2-CZ 3.74Å; E12-R202 IonicContact OE2-NH2 2.81Å; E12-R202 PolarHBondContact OE2-NH2 2.91Å
13I84.8Confident78.5Confident127 Ų12769.2 Ų69.265%0.65136%0.355SS*.Hα-helixtrans-62.6-46.2173.5-67163.5000110.5D9 K10 N15 S16D9-I13 WeakPolarHBondContact O-CD1 3.26Å; D9-I13 VanDerWaalsContact O-CG1 3.28Å; D9-I13 WeakPolarHBondContact O-CG1 3.35Å; D9-I13 PolarHBondContact O-N 3.5Å; K10-I13 PolarHBondContact O-N 2.92Å; I13-N15 VanDerWaalsContact C-N 3.29Å; I13-N15 PolarHBondContact O-N 2.78Å; I13-S16 WeakPolarHBondContact CA-OG 3.49Å; I13-S16 WeakPolarHBondContact O-CB 3.46Å; I13-S16 PolarHBondContact O-N 2.87Å; I13-S16 PolarHBondContact O-OG 2.77Å
14E81.5Confident78.9Confident38 Ų3866.2 Ų66.218%0.17834%0.339CS..Hα-helixtrans-65.3-31.7-178.9-74.6177.5-174.400113.6K10 L11 R239K10-E14 WeakPolarHBondContact CE-OE1 3.39Å; K10-E14 IonicContact NZ-OE1 3.61Å; K10-E14 WeakPolarHBondContact O-CG 3.37Å; K10-E14 PolarHBondContact O-N 2.84Å; L11-E14 PolarHBondContact O-N 3.41Å; E14-R239 WeakPolarHBondContact OE2-CB 3.44Å; E14-R239 WeakPolarHBondContact OE2-CD 3.24Å
15N78.2Confident79.2Confident9 Ų966.7 Ų66.75%0.04834%0.341CS..THydrogen-bonded Turntrans-97.35.2178.8-68.7-44.7000113.6L11 E12 I13 S17 R18 H19 E195 I199L11-N15 WeakPolarHBondContact O-CB 3.47Å; L11-N15 PolarHBondContact O-N 3.2Å; L11-N15 PolarHBondContact O-ND2 3.15Å; L11-N15 VanDerWaalsContact O-ND2 3.11Å; E12-N15 PolarHBondContact O-N 2.97Å; I13-N15 VanDerWaalsContact C-N 3.29Å; I13-N15 PolarHBondContact O-N 2.78Å; N15-S17 PolarHBondContact O-N 2.95Å; N15-S17 VanDerWaalsContact O-N 3.1Å; N15-R18 WeakPolarHBondContact O-CB 3.43Å; N15-R18 PolarHBondContact O-N 2.94Å; N15-H19 PolarHBondContact O-CD2 2.63Å; N15-H19 PolarHBondContact O-N 3.23Å; N15-E195 VanDerWaalsContact ND2-CB 3.34Å; N15-E195 WeakPolarHBondContact ND2-CB 3.45Å; N15-I199 HydrophobicContact CB-CD1 4.29Å
16S71Confident79.6Confident57 Ų5768.9 Ų68.940%0.39935%0.351SS..G310 helixtrans-57-31.2-176-72.70000113.4E12 I13 R18 H19E12-S16 PolarHBondContact O-N 3.06Å; E12-S16 PolarHBondContact O-OG 3.24Å; I13-S16 WeakPolarHBondContact CA-OG 3.49Å; I13-S16 WeakPolarHBondContact O-CB 3.46Å; I13-S16 PolarHBondContact O-N 2.87Å; I13-S16 PolarHBondContact O-OG 2.77Å; S16-R18 PolarHBondContact O-N 3.44Å; S16-H19 PolarHBondContact O-N 2.7Å
17S64.1Low80.1Confident88 Ų8872.3 Ų72.362%0.61536%0.36SS*.G310 helixtrans-62.1-25.8175.360.20000113.8N15N15-S17 PolarHBondContact O-N 2.95Å; N15-S17 VanDerWaalsContact O-N 3.1Å
18R60.2Low80.5Confident124 Ų12475.8 Ų75.847%0.46837%0.373SS..G310 helixtrans-84.3-19.3174.4-63.6-176.5174.7-170.6-1.4112.5N15 S16N15-R18 WeakPolarHBondContact O-CB 3.43Å; N15-R18 PolarHBondContact O-N 2.94Å; S16-R18 PolarHBondContact O-N 3.44Å
19H60.4Low80.9Confident65 Ų6575.8 Ų75.830%0.30137%0.373SS..  trans-105.122.5-173.6-63.9-56.3000114.4N15 S16 N21 R22 D196N15-H19 PolarHBondContact O-CD2 2.63Å; N15-H19 PolarHBondContact O-N 3.23Å; S16-H19 PolarHBondContact O-N 2.7Å; H19-N21 PolarHBondContact O-N 2.72Å; H19-R22 PolarHBondContact O-N 3.21Å; H19-D196 IonicContact CE1-OD1 3.21Å
20N60Low81.2Confident149 Ų14975.5 Ų75.580%0.79737%0.371SS*.THydrogen-bonded Turntrans-54.4-4.4177.1-78.1-11.1000115.4
21N77.7Confident81.5Confident88 Ų8875.1 Ų75.147%0.47138%0.38SS..THydrogen-bonded Turntrans-108.913.3-179-143.96.9000114.2H19 D23 L24 M25H19-N21 PolarHBondContact O-N 2.72Å; N21-D23 PolarHBondContact O-N 2.89Å; N21-L24 PolarHBondContact O-N 3.05Å; N21-L24 WeakPolarHBondContact OD1-CB 3.34Å; N21-L24 WeakPolarHBondContact OD1-CD2 3.37Å; N21-M25 VanDerWaalsContact O-CG 3.28Å; N21-M25 WeakPolarHBondContact O-CG 3.47Å; N21-M25 PolarHBondContact O-N 3.45Å
22R79.7Confident82Confident106 Ų10676 Ų7640%0.438%0.383SS..Hα-helixtrans-56.3-45.8-174.2-175.3177.9-178.91556.7113.1E12 H19 L24 M25 E26E12-R22 IonicContact OE1-CZ 3.23Å; E12-R22 IonicContact OE1-NH1 2.64Å; E12-R22 PolarHBondContact OE1-NH1 2.87Å; E12-R22 IonicContact OE1-NH2 2.72Å; H19-R22 PolarHBondContact O-N 3.21Å; R22-L24 PolarHBondContact O-N 3.2Å; R22-M25 PolarHBondContact O-N 3Å; R22-M25 VanDerWaalsContact O-N 3.13Å; R22-E26 WeakPolarHBondContact O-CB 3.14Å; R22-E26 PolarHBondContact O-N 3.39Å
23D83.8Confident82.4Confident121 Ų12174.2 Ų74.265%0.64737%0.374SS*.Hα-helixtrans-62.3-44-178.4-62.7-20.4000111.4N21 M25 E26 H27N21-D23 PolarHBondContact O-N 2.89Å; D23-M25 VanDerWaalsContact C-N 3.31Å; D23-M25 PolarHBondContact O-N 2.85Å; D23-E26 PolarHBondContact O-N 3.49Å; D23-H27 WeakPolarHBondContact O-CB 3.33Å; D23-H27 PolarHBondContact O-CD2 3.44Å; D23-H27 PolarHBondContact O-N 2.84Å
24L88.7Confident82.7Confident90 Ų9072.4 Ų72.447%0.47137%0.366SS..Hα-helixtrans-62.1-41.3175.1-175.466.1000111.5N21 R22 H27 R28N21-L24 PolarHBondContact O-N 3.05Å; N21-L24 WeakPolarHBondContact OD1-CB 3.34Å; N21-L24 WeakPolarHBondContact OD1-CD2 3.37Å; R22-L24 PolarHBondContact O-N 3.2Å; L24-H27 PolarHBondContact O-N 3.1Å; L24-R28 WeakPolarHBondContact O-CB 3.44Å; L24-R28 VanDerWaalsContact O-CG 3.27Å; L24-R28 WeakPolarHBondContact O-CG 3.04Å; L24-R28 PolarHBondContact O-N 3.06Å
25M88.4Confident83.2Confident34 Ų3476.1 Ų76.117%0.16738%0.381CS..Hα-helixtrans-66.2-40.5179-69.3-49.7-57.300112N21 R22 D23 R28 L29 F187 L189 W203N21-M25 VanDerWaalsContact O-CG 3.28Å; N21-M25 WeakPolarHBondContact O-CG 3.47Å; N21-M25 PolarHBondContact O-N 3.45Å; R22-M25 PolarHBondContact O-N 3Å; R22-M25 VanDerWaalsContact O-N 3.13Å; D23-M25 VanDerWaalsContact C-N 3.31Å; D23-M25 PolarHBondContact O-N 2.85Å; M25-R28 PolarHBondContact O-N 3.08Å; M25-R28 PolarHBondContact SD-NH1 3.04Å; M25-L29 WeakPolarHBondContact O-CB 3.32Å; M25-L29 PolarHBondContact O-N 3.23Å; M25-F187 HydrophobicContact CE-CZ 4.36Å; M25-L189 HydrophobicContact CE-CD2 2.99Å; M25-L189 HydrophobicContact CE-CG 4.48Å; M25-W203 HydrophobicContact CB-CH2 4.31Å
26E91Very high83.9Confident61 Ų6175.7 Ų75.729%0.28538%0.379SS..Hα-helixtrans-64.5-44.9174.7-173.7160.7164.100111.3R22 D23 R28 L29 N30 W203R22-E26 WeakPolarHBondContact O-CB 3.14Å; R22-E26 PolarHBondContact O-N 3.39Å; D23-E26 PolarHBondContact O-N 3.49Å; E26-R28 PolarHBondContact O-N 3.17Å; E26-L29 PolarHBondContact O-N 3.28Å; E26-N30 WeakPolarHBondContact CG-ND2 3.45Å; E26-N30 VanDerWaalsContact O-CB 3.31Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 VanDerWaalsContact O-CG 3.3Å; E26-N30 PolarHBondContact O-N 3.49Å; E26-N30 PolarHBondContact O-ND2 2.97Å; E26-W203 HydrophobicContact CB-CZ2 4.1Å
27H93.1Very high84.8Confident133 Ų13373.6 Ų73.662%0.61636%0.363SS*.Hα-helixtrans-59.8-43.8173.5-73.3-51.2000112.7D23 L24 S31D23-H27 WeakPolarHBondContact O-CB 3.33Å; D23-H27 PolarHBondContact O-CD2 3.44Å; D23-H27 PolarHBondContact O-N 2.84Å; L24-H27 PolarHBondContact O-N 3.1Å; H27-S31 VanDerWaalsContact O-CB 3.23Å; H27-S31 WeakPolarHBondContact O-CB 2.95Å; H27-S31 PolarHBondContact O-N 3.22Å
28R94.8Very high85.9Confident118 Ų11875 Ų7545%0.44536%0.364SS..Hα-helixtrans-63.2-45.1177-76.1175.965.4-157.2-2111.8L24 M25 E26 W32 F187L24-R28 WeakPolarHBondContact O-CB 3.44Å; L24-R28 VanDerWaalsContact O-CG 3.27Å; L24-R28 WeakPolarHBondContact O-CG 3.04Å; L24-R28 PolarHBondContact O-N 3.06Å; M25-R28 PolarHBondContact O-N 3.08Å; M25-R28 PolarHBondContact SD-NH1 3.04Å; E26-R28 PolarHBondContact O-N 3.17Å; R28-W32 WeakPolarHBondContact O-CB 3.35Å; R28-W32 PolarHBondContact O-N 3.46Å; R28-F187 HydrophobicContact CB-CE2 4.05Å; R28-F187 HydrophobicContact CB-CZ 4.23Å
29L95.2Very high87.4Confident0 Ų071.6 Ų71.60%035%0.353CS..Hα-helixtrans-63.8-47.7179.317962.6000110.9M25 E26 S31 W32 L33 L89 F187 W203 Q207M25-L29 WeakPolarHBondContact O-CB 3.32Å; M25-L29 PolarHBondContact O-N 3.23Å; E26-L29 PolarHBondContact O-N 3.28Å; L29-S31 PolarHBondContact O-N 3.04Å; L29-W32 HydrophobicContact CD1-CE3 4.19Å; L29-W32 PolarHBondContact O-N 3.49Å; L29-L33 HydrophobicContact CD1-CD1 3.69Å; L29-L33 HydrophobicContact CD1-CG 4.27Å; L29-L33 HydrophobicContact CD2-CD1 4.29Å; L29-L33 HydrophobicContact CG-CD1 3.59Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 3.4Å; L29-L89 HydrophobicContact CD1-CD1 3.8Å; L29-F187 HydrophobicContact CB-CE1 4.24Å; L29-F187 HydrophobicContact CB-CE2 4.47Å; L29-F187 HydrophobicContact CB-CZ 3.86Å; L29-F187 HydrophobicContact CD1-CD1 3.98Å; L29-F187 HydrophobicContact CD1-CE1 3.76Å; L29-F187 HydrophobicContact CD1-CG 4.48Å; L29-F187 HydrophobicContact CD1-CZ 4.11Å; L29-W203 HydrophobicContact CB-CH2 4.22Å; L29-W203 HydrophobicContact CD2-CH2 3.55Å; L29-W203 HydrophobicContact CD2-CZ2 4.03Å; L29-W203 HydrophobicContact CD2-CZ3 3.98Å; L29-Q207 HydrophobicContact CD2-CB 3.9Å; L29-Q207 HydrophobicContact CD2-CG 4.12Å
30N93.2Very high88.7Confident47 Ų4773.9 Ų73.925%0.25137%0.374SS..Hα-helixtrans-64.1-41.1178.8-74.3-28.9000112.2E26 L33 N34E26-N30 WeakPolarHBondContact CG-ND2 3.45Å; E26-N30 VanDerWaalsContact O-CB 3.31Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 VanDerWaalsContact O-CG 3.3Å; E26-N30 PolarHBondContact O-N 3.49Å; E26-N30 PolarHBondContact O-ND2 2.97Å; N30-L33 PolarHBondContact O-N 3.45Å; N30-N34 WeakPolarHBondContact O-CB 3.48Å; N30-N34 VanDerWaalsContact O-CG 3.25Å; N30-N34 PolarHBondContact O-N 2.99Å; N30-N34 PolarHBondContact O-ND2 3.23Å
31S94.7Very high90.1Very high81 Ų8170.3 Ų70.357%0.56636%0.358SS*.Hα-helixtrans-60.9-45.8174.4-179.40000111.8H27 L29 N34 K35H27-S31 VanDerWaalsContact O-CB 3.23Å; H27-S31 WeakPolarHBondContact O-CB 2.95Å; H27-S31 PolarHBondContact O-N 3.22Å; L29-S31 PolarHBondContact O-N 3.04Å; S31-N34 PolarHBondContact O-N 2.99Å; S31-K35 PolarHBondContact O-N 3Å; S31-K35 VanDerWaalsContact O-N 3.11Å
32W96.4Very high90.8Very high23 Ų2366.3 Ų66.39%0.08734%0.336CS..Hα-helixtrans-63.5-45.2175.7178.176.7000112R28 L29 N34 K35 I36 A87 L89 Q184 Y185 F187R28-W32 WeakPolarHBondContact O-CB 3.35Å; R28-W32 PolarHBondContact O-N 3.46Å; L29-W32 HydrophobicContact CD1-CE3 4.19Å; L29-W32 PolarHBondContact O-N 3.49Å; W32-N34 PolarHBondContact O-N 3.11Å; W32-K35 PolarHBondContact O-N 2.91Å; W32-I36 HydrophobicContact CD2-CD1 4.42Å; W32-I36 HydrophobicContact CD2-CG2 4.27Å; W32-I36 HydrophobicContact CE3-CD1 4.16Å; W32-I36 HydrophobicContact CH2-CD1 3.74Å; W32-I36 HydrophobicContact CZ2-CD1 4.01Å; W32-I36 HydrophobicContact CZ2-CG2 4.09Å; W32-I36 HydrophobicContact CZ3-CD1 3.81Å; W32-I36 WeakPolarHBondContact O-CG2 3.46Å; W32-I36 PolarHBondContact O-N 2.91Å; W32-A87 HydrophobicContact CH2-CB 3.96Å; W32-A87 HydrophobicContact CZ2-CB 3.91Å; W32-L89 HydrophobicContact CH2-CB 4.4Å; W32-L89 HydrophobicContact CZ3-CB 4.45Å; W32-Q184 PolarHBondContact NE1-O 2.97Å; W32-Y185 WeakPolarHBondContact CZ2-O 3.07Å; W32-F187 HydrophobicContact CB-CD2 3.78Å; W32-F187 HydrophobicContact CB-CE2 4.22Å; W32-F187 HydrophobicContact CD2-CB 3.53Å; W32-F187 HydrophobicContact CD2-CD2 4Å; W32-F187 HydrophobicContact CD2-CG 4.04Å; W32-F187 HydrophobicContact CE3-CB 3.7Å; W32-F187 HydrophobicContact CE3-CD2 4.28Å; W32-F187 HydrophobicContact CE3-CG 4.05Å; W32-F187 HydrophobicContact CG-CB 4.06Å; W32-F187 AromaticContact CG-CD2 3.76Å; W32-F187 HydrophobicContact CG-CD2 3.76Å; W32-F187 HydrophobicContact CG-CG 4.28Å; W32-F187 HydrophobicContact CH2-CB 3.94Å; W32-F187 HydrophobicContact CZ2-CB 3.77Å; W32-F187 HydrophobicContact CZ3-CB 3.92Å
33L94.3Very high91.4Very high0 Ų063.4 Ų63.40%033%0.329CS..Hα-helixtrans-59.6-45.2177.9-79.4160.3000111.7L29 N30 K35 I36 L37 I45 L208 I211L29-L33 HydrophobicContact CD1-CD1 3.69Å; L29-L33 HydrophobicContact CD1-CG 4.27Å; L29-L33 HydrophobicContact CD2-CD1 4.29Å; L29-L33 HydrophobicContact CG-CD1 3.59Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 3.4Å; N30-L33 PolarHBondContact O-N 3.45Å; L33-K35 PolarHBondContact O-N 3.47Å; L33-I36 HydrophobicContact CD2-CD1 3.99Å; L33-I36 WeakPolarHBondContact O-CG1 3.36Å; L33-I36 PolarHBondContact O-N 3.27Å; L33-L37 VanDerWaalsContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 WeakPolarHBondContact O-CG 3.12Å; L33-L37 PolarHBondContact O-N 3.39Å; L33-I45 HydrophobicContact CD2-CD1 3.83Å; L33-L208 HydrophobicContact CD1-CD2 4.2Å; L33-L208 HydrophobicContact CD2-CD2 3.93Å; L33-I211 HydrophobicContact CB-CD1 3.84Å; L33-I211 HydrophobicContact CD1-CD1 3.16Å; L33-I211 HydrophobicContact CD2-CD1 4.26Å; L33-I211 HydrophobicContact CG-CD1 3.89Å
34N90.8Very high92Very high88 Ų8861.1 Ų61.147%0.47131%0.313SS..Hα-helixtrans-59.7-47.7175.6-71.5-27.7000111.4N30 S31 W32 I36 L37 D38N30-N34 WeakPolarHBondContact O-CB 3.48Å; N30-N34 VanDerWaalsContact O-CG 3.25Å; N30-N34 PolarHBondContact O-N 2.99Å; N30-N34 PolarHBondContact O-ND2 3.23Å; S31-N34 PolarHBondContact O-N 2.99Å; W32-N34 PolarHBondContact O-N 3.11Å; N34-I36 PolarHBondContact O-N 2.92Å; N34-L37 PolarHBondContact O-N 3.47Å; N34-D38 VanDerWaalsContact O-CG 3.23Å; N34-D38 PolarHBondContact O-N 3.39Å
35K92.4Very high92.4Very high116 Ų11656.9 Ų56.950%0.50429%0.291SS..Hα-helixtrans-58.7-45178.7-176-179.1173.8-1760112.7S31 W32 L33S31-K35 PolarHBondContact O-N 3Å; S31-K35 VanDerWaalsContact O-N 3.11Å; W32-K35 PolarHBondContact O-N 2.91Å; L33-K35 PolarHBondContact O-N 3.47Å
36I92.9Very high92.9Very high1 Ų155.2 Ų55.21%0.00528%0.283CS..Hα-helixtrans-72.8-32.8-178.965.9168.8000112.3W32 L33 N34 H39 I42 I45 A87 Y185W32-I36 HydrophobicContact CD2-CD1 4.42Å; W32-I36 HydrophobicContact CD2-CG2 4.27Å; W32-I36 HydrophobicContact CE3-CD1 4.16Å; W32-I36 HydrophobicContact CH2-CD1 3.74Å; W32-I36 HydrophobicContact CZ2-CD1 4.01Å; W32-I36 HydrophobicContact CZ2-CG2 4.09Å; W32-I36 HydrophobicContact CZ3-CD1 3.81Å; W32-I36 WeakPolarHBondContact O-CG2 3.46Å; W32-I36 PolarHBondContact O-N 2.91Å; L33-I36 HydrophobicContact CD2-CD1 3.99Å; L33-I36 WeakPolarHBondContact O-CG1 3.36Å; L33-I36 PolarHBondContact O-N 3.27Å; N34-I36 PolarHBondContact O-N 2.92Å; I36-H39 WeakPolarHBondContact O-CB 3.21Å; I36-H39 PolarHBondContact O-N 3.43Å; I36-I42 HydrophobicContact CB-CG2 4.4Å; I36-I45 HydrophobicContact CD1-CD1 3.85Å; I36-I45 HydrophobicContact CD1-CG1 4.05Å; I36-A87 HydrophobicContact CB-CB 4.29Å; I36-A87 HydrophobicContact CD1-CB 3.38Å; I36-A87 HydrophobicContact CG1-CB 4.41Å; I36-A87 HydrophobicContact CG2-CB 4.27Å; I36-Y185 HydrophobicContact CG2-CD1 4.18Å
37L88.4Confident93.2Very high12 Ų1252.3 Ų52.36%0.06327%0.269CS..Hα-helixtrans-77-26.7-177-70.4176.3000112.5L33 N34 H39 I45 I211 K215 K220 I222L33-L37 VanDerWaalsContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 WeakPolarHBondContact O-CG 3.12Å; L33-L37 PolarHBondContact O-N 3.39Å; N34-L37 PolarHBondContact O-N 3.47Å; L37-H39 VanDerWaalsContact C-N 3.26Å; L37-I45 HydrophobicContact CD2-CD1 4.15Å; L37-I211 HydrophobicContact CD1-CG2 3.44Å; L37-I211 VanDerWaalsContact CD1-CG2 3.44Å; L37-K215 HydrophobicContact CD1-CG 4.23Å; L37-K220 PolarHBondContact O-NZ 3.46Å; L37-I222 HydrophobicContact CD1-CD1 4.09Å; L37-I222 HydrophobicContact CD2-CD1 3.44Å; L37-I222 VanDerWaalsContact CD2-CD1 3.44Å; L37-I222 HydrophobicContact CD2-CG1 3.88Å; L37-I222 HydrophobicContact CG-CD1 4.39Å
38D88.7Confident93.5Very high117 Ų11746 Ų4663%0.62624%0.24SC*.Hα-helixtrans-74.6-17.2172-66-15.5000112.3N34N34-D38 VanDerWaalsContact O-CG 3.23Å; N34-D38 PolarHBondContact O-N 3.39Å
39H90.5Very high93.6Very high53 Ų5340.4 Ų40.425%0.24522%0.219CC..SBendtrans-68.2130.3178.1-168.6-86.3000111.6I36 L37 T41 I42 Y185 K220I36-H39 WeakPolarHBondContact O-CB 3.21Å; I36-H39 PolarHBondContact O-N 3.43Å; L37-H39 VanDerWaalsContact C-N 3.26Å; H39-T41 VanDerWaalsContact C-N 3.34Å; H39-T41 PolarHBondContact CE1-OG1 3.3Å; H39-T41 PolarHBondContact ND1-N 3.1Å; H39-T41 PolarHBondContact ND1-OG1 3.36Å; H39-T41 VanDerWaalsContact ND1-OG1 3.1Å; H39-T41 PolarHBondContact O-N 3.45Å; H39-I42 HydrophobicContact CB-CB 4.19Å; H39-I42 HydrophobicContact CB-CG1 4.21Å; H39-I42 WeakPolarHBondContact ND1-CG1 3.36Å; H39-I42 PolarHBondContact O-N 3.28Å; H39-Y185 PolarHBondContact CD2-OH 3.1Å; H39-Y185 PolarHBondContact NE2-OH 3.33Å; H39-Y185 VanDerWaalsContact NE2-OH 3.1Å; H39-K220 PolarHBondContact O-NZ 3.25Å
40P87.5Confident93.8Very high113 Ų11340.4 Ų40.473%0.73422%0.219SC*.THydrogen-bonded Turntrans-61.1-36.3-170.321.2-33.4000114.3
41T90.1Very high93.9Very high75 Ų7538.2 Ų38.246%0.4621%0.207SC..THydrogen-bonded Turntrans-96.5-14.6-173.6670000114.8H39 N43 N85H39-T41 VanDerWaalsContact C-N 3.34Å; H39-T41 PolarHBondContact CE1-OG1 3.3Å; H39-T41 PolarHBondContact ND1-N 3.1Å; H39-T41 PolarHBondContact ND1-OG1 3.36Å; H39-T41 VanDerWaalsContact ND1-OG1 3.1Å; H39-T41 PolarHBondContact O-N 3.45Å; T41-N43 PolarHBondContact O-N 3.17Å; T41-N85 PolarHBondContact O-ND2 3.17Å; T41-N85 PolarHBondContact OG1-OD1 3.21Å
42I92.4Very high94Very high3 Ų334.3 Ų34.32%0.01518%0.18CC..  trans-93.7108.2-172-63.2-71.5000109I36 H39 N85 A87 Y185 K220I36-I42 HydrophobicContact CB-CG2 4.4Å; H39-I42 HydrophobicContact CB-CB 4.19Å; H39-I42 HydrophobicContact CB-CG1 4.21Å; H39-I42 WeakPolarHBondContact ND1-CG1 3.36Å; H39-I42 PolarHBondContact O-N 3.28Å; I42-N85 VanDerWaalsContact CD1-OD1 3.25Å; I42-N85 WeakPolarHBondContact CD1-OD1 3.41Å; I42-A87 HydrophobicContact CG2-CB 3.97Å; I42-Y185 HydrophobicContact CD1-CD1 4.33Å; I42-Y185 HydrophobicContact CD1-CE1 4.34Å; I42-Y185 HydrophobicContact CG1-CD1 4.11Å; I42-Y185 HydrophobicContact CG1-CE1 3.85Å; I42-K220 WeakPolarHBondContact O-CE 3.29Å; I42-K220 PolarHBondContact O-NZ 2.96Å
43N92.7Very high94Very high46 Ų4633.2 Ų33.225%0.24618%0.176CC..  trans-131.59.2177.171.7-20000113.4T41 K220 Q221 I222 H223T41-N43 PolarHBondContact O-N 3.17Å; N43-K220 HydrophobicContact CB-CG 4.42Å; N43-Q221 WeakPolarHBondContact CB-O 3.33Å; N43-I222 WeakPolarHBondContact O-CA 3.27Å; N43-H223 PolarHBondContact O-N 2.93Å
44K95.7Very high94.1Very high72 Ų7233.3 Ų33.331%0.31318%0.176SC..EExtended strand (participates in β ladder)trans-121.6126.2179.6-49.9178.2-167.91700109.2Y86 A87 H223K44-Y86 HydrophobicContact CB-CD1 3.44Å; K44-Y86 VanDerWaalsContact CB-CD1 3.44Å; K44-Y86 HydrophobicContact CB-CD2 4.26Å; K44-Y86 HydrophobicContact CB-CE1 3.5Å; K44-Y86 VanDerWaalsContact CB-CE1 3.5Å; K44-Y86 HydrophobicContact CB-CE2 4.31Å; K44-Y86 HydrophobicContact CB-CG 3.83Å; K44-Y86 HydrophobicContact CD-CD2 4.19Å; K44-Y86 HydrophobicContact CD-CE1 3.99Å; K44-Y86 HydrophobicContact CD-CE2 3.63Å; K44-Y86 VanDerWaalsContact CD-CZ 3.5Å; K44-Y86 HydrophobicContact CG-CE1 4.3Å; K44-Y86 WeakPolarHBondContact O-CA 3.33Å; K44-A87 PolarHBondContact O-N 3.3Å; K44-H223 WeakPolarHBondContact CA-O 3.47Å; K44-H223 HydrophobicContact CG-CB 4.4Å
45I97.3Very high94.4Very high1 Ų129.2 Ų29.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-121127.4178.5-53.9175.8000107.7L33 I36 L37 A87 L208 I222 H223 L224 S225L33-I45 HydrophobicContact CD2-CD1 3.83Å; I36-I45 HydrophobicContact CD1-CD1 3.85Å; I36-I45 HydrophobicContact CD1-CG1 4.05Å; L37-I45 HydrophobicContact CD2-CD1 4.15Å; I45-A87 WeakPolarHBondContact CA-O 3.39Å; I45-A87 HydrophobicContact CG1-CB 4.38Å; I45-L208 HydrophobicContact CG2-CD2 4.17Å; I45-I222 HydrophobicContact CD1-CG2 4.15Å; I45-I222 HydrophobicContact CG1-CG2 4.48Å; I45-H223 PolarHBondContact N-O 3.14Å; I45-L224 HydrophobicContact CB-CD2 3.97Å; I45-L224 HydrophobicContact CD1-CD2 4.23Å; I45-L224 HydrophobicContact CG1-CD2 4.49Å; I45-L224 WeakPolarHBondContact O-CA 3.29Å; I45-S225 PolarHBondContact O-N 3.31Å
46V98.2Very high94.5Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-117.4128.1173.862.90000110.7I48 F81 Y86 A87 V88 L89 S225V46-I48 HydrophobicContact CG1-CD1 4.28Å; V46-I48 HydrophobicContact CG1-CG1 4.18Å; V46-I48 HydrophobicContact CG2-CG1 3.92Å; V46-F81 HydrophobicContact CG1-CB 3.87Å; V46-F81 HydrophobicContact CG1-CD1 4.02Å; V46-F81 HydrophobicContact CG1-CD2 4.01Å; V46-F81 HydrophobicContact CG1-CG 3.72Å; V46-F81 HydrophobicContact CG2-CD2 4.44Å; V46-F81 HydrophobicContact CG2-CE1 4.5Å; V46-F81 HydrophobicContact CG2-CE2 4.2Å; V46-F81 HydrophobicContact CG2-CZ 4.24Å; V46-Y86 HydrophobicContact CB-CD1 4.02Å; V46-Y86 HydrophobicContact CG1-CD1 4.02Å; V46-Y86 HydrophobicContact CG1-CG 4.47Å; V46-A87 PolarHBondContact N-O 2.8Å; V46-V88 HydrophobicContact CG1-CB 4.36Å; V46-V88 HydrophobicContact CG1-CG1 4.41Å; V46-V88 HydrophobicContact CG1-CG2 3.75Å; V46-V88 WeakPolarHBondContact O-CA 3.49Å; V46-L89 PolarHBondContact O-N 2.89Å; V46-S225 CarbonylContact C-O 3.58Å; V46-S225 VanDerWaalsContact CA-O 3.27Å; V46-S225 WeakPolarHBondContact CA-O 3.17Å
47C98.5Very high94.6Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-91.7113.6166.4174.60000108.9L89 I204 L208 S225 Y226 Y227C47-L89 CarbonylContact C-O 3.54Å; C47-L89 WeakPolarHBondContact CA-O 3.39Å; C47-I204 HydrophobicContact CB-CG2 4.4Å; C47-L208 HydrophobicContact CB-CD1 4.12Å; C47-S225 PolarHBondContact N-O 3.43Å; C47-Y226 HydrophobicContact CB-CD1 3.57Å; C47-Y226 HydrophobicContact CB-CE1 3.64Å; C47-Y226 HydrophobicContact CB-CG 4.39Å; C47-Y226 CarbonylContact O-C 3.53Å; C47-Y226 WeakPolarHBondContact O-CA 3.35Å; C47-Y227 PolarHBondContact O-N 2.83Å
48I98.6Very high94.8Very high0 Ų023.6 Ų23.60%013%0.13CC..EExtended strand (participates in β ladder)trans-103.2123.8178.7-58.9179.3000108.4V46 A78 F81 V88 L89 Y90 F91 Y227V46-I48 HydrophobicContact CG1-CD1 4.28Å; V46-I48 HydrophobicContact CG1-CG1 4.18Å; V46-I48 HydrophobicContact CG2-CG1 3.92Å; I48-A78 HydrophobicContact CD1-CB 3.72Å; I48-F81 HydrophobicContact CD1-CD2 3.64Å; I48-F81 HydrophobicContact CD1-CE2 4.22Å; I48-F81 HydrophobicContact CG1-CD2 4.41Å; I48-V88 HydrophobicContact CD1-CG1 3.64Å; I48-V88 HydrophobicContact CG1-CG1 4.11Å; I48-L89 PolarHBondContact N-O 2.88Å; I48-Y90 HydrophobicContact CB-CD2 4.03Å; I48-Y90 HydrophobicContact CG2-CD2 3.93Å; I48-Y90 HydrophobicContact CG2-CE2 3.92Å; I48-F91 PolarHBondContact O-N 2.98Å; I48-Y227 WeakPolarHBondContact CA-O 3.2Å; I48-Y227 HydrophobicContact CG2-CD1 4.03Å
49T98.4Very high94.9Very high0 Ų020.9 Ų20.90%012%0.115CC..EExtended strand (participates in β ladder)trans-94.7134.9168.373.70000111F91 Y197 L201 Y227 L228 S229 A230T49-F91 CarbonylContact C-O 3.53Å; T49-F91 VanDerWaalsContact CA-O 3.22Å; T49-F91 WeakPolarHBondContact CA-O 3.32Å; T49-F91 HydrophobicContact CG2-CD1 4.11Å; T49-Y197 HydrophobicContact CG2-CE2 3.89Å; T49-Y197 PolarHBondContact OG1-OH 3.2Å; T49-L201 HydrophobicContact CG2-CD1 4.28Å; T49-Y227 PolarHBondContact N-O 2.92Å; T49-L228 HydrophobicContact CG2-CD2 3.75Å; T49-L228 VanDerWaalsContact OG1-CA 3.3Å; T49-L228 WeakPolarHBondContact OG1-CA 3.48Å; T49-S229 CarbonylContact O-C 3.5Å; T49-S229 VanDerWaalsContact O-C 3.25Å; T49-S229 WeakPolarHBondContact O-CA 3.39Å; T49-S229 WeakPolarHBondContact O-CB 3.19Å; T49-S229 PolarHBondContact O-N 3.21Å; T49-S229 VanDerWaalsContact O-N 3.15Å; T49-S229 PolarHBondContact O-OG 2.95Å; T49-S229 PolarHBondContact OG1-N 3.2Å; T49-A230 PolarHBondContact O-N 3.06Å; T49-A230 WeakPolarHBondContact OG1-CB 3.48Å; T49-A230 PolarHBondContact OG1-N 3.39Å; T49-A230 VanDerWaalsContact OG1-N 3.11Å
50S97.6Very high95Very high1 Ų122.2 Ų22.21%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-144.7150.6-174.2-167.80000113.6G71 G74 Y90 F91 H92 R93 F191S50-G71 VanDerWaalsContact OG-CA 3.25Å; S50-G71 WeakPolarHBondContact OG-CA 3.31Å; S50-G71 PolarHBondContact OG-O 2.89Å; S50-G74 WeakPolarHBondContact OG-CA 3.23Å; S50-Y90 VanDerWaalsContact CB-CZ 3.46Å; S50-Y90 WeakPolarHBondContact CB-OH 3.25Å; S50-Y90 PolarHBondContact OG-OH 2.8Å; S50-F91 PolarHBondContact N-O 3.13Å; S50-H92 CarbonylContact O-C 3.48Å; S50-H92 VanDerWaalsContact O-CA 3.24Å; S50-H92 WeakPolarHBondContact O-CA 3.48Å; S50-R93 PolarHBondContact O-N 3.02Å; S50-F191 VanDerWaalsContact O-CZ 3.29Å; S50-F191 WeakPolarHBondContact O-CZ 3.44Å
51G96.3Very high95.1Very high0 Ų019.7 Ų19.70%010%0.103CC..SBendtrans83.5-178.4-176.900000113.7A230 A231G51-A230 CarbonylContact O-C 3.48Å; G51-A230 WeakPolarHBondContact O-CA 3.32Å; G51-A230 WeakPolarHBondContact O-CB 3.27Å; G51-A231 PolarHBondContact O-N 2.87Å
52G96.1Very high95.2Very high0 Ų020.1 Ų20.10%011%0.105CC..BIsolated β-bridgetrans-96.3150.6-178.100000113.6N67 R93G52-N67 WeakPolarHBondContact CA-O 3.41Å; G52-R93 WeakPolarHBondContact O-CB 3.19Å; G52-R93 WeakPolarHBondContact O-CD 3.05Å; G52-R93 WeakPolarHBondContact O-CG 3.28Å
53T97.1Very high95.2Very high0 Ų023.8 Ų23.80%012%0.119CC..PPolyproline II helixtrans-93.4145.3166.857.30000110.7N67 F191 I194 Y197 A231 V232 S233T53-N67 PolarHBondContact O-N 3.06Å; T53-N67 VanDerWaalsContact O-N 3.15Å; T53-F191 HydrophobicContact CG2-CD2 4.2Å; T53-F191 HydrophobicContact CG2-CE2 3.7Å; T53-F191 HydrophobicContact CG2-CZ 4.5Å; T53-I194 HydrophobicContact CG2-CD1 4.18Å; T53-Y197 HydrophobicContact CG2-CD1 4.37Å; T53-Y197 HydrophobicContact CG2-CD2 4.11Å; T53-Y197 HydrophobicContact CG2-CG 3.78Å; T53-A231 PolarHBondContact N-O 3.47Å; T53-A231 VanDerWaalsContact N-O 3.1Å; T53-A231 PolarHBondContact OG1-O 3.15Å; T53-V232 WeakPolarHBondContact OG1-CA 3.27Å; T53-S233 PolarHBondContact O-OG 2.91Å; T53-S233 PolarHBondContact OG1-N 3.38Å; T53-S233 PolarHBondContact OG1-OG 3.23Å
54I96.7Very high95.4Very high1 Ų127 Ų271%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-102.2151.9169.875.8178.8000111.8M61 Y64 I65 D66 E192 T193 I194I54-M61 HydrophobicContact CD1-CE 3.72Å; I54-M61 HydrophobicContact CD1-SD 3.38Å; I54-M61 WeakPolarHBondContact CD1-SD 3.37Å; I54-M61 HydrophobicContact CG1-SD 4.37Å; I54-Y64 HydrophobicContact CB-CD2 3.95Å; I54-Y64 HydrophobicContact CB-CG 4.28Å; I54-Y64 HydrophobicContact CD1-CD1 4.48Å; I54-Y64 HydrophobicContact CD1-CD2 4.43Å; I54-Y64 HydrophobicContact CD1-CG 4.17Å; I54-Y64 HydrophobicContact CG2-CD2 3.85Å; I54-Y64 HydrophobicContact CG2-CE2 4.16Å; I54-I65 CarbonylContact C-O 3.55Å; I54-I65 VanDerWaalsContact CA-O 3.25Å; I54-I65 WeakPolarHBondContact CA-O 3.18Å; I54-D66 HydrophobicContact CG2-CB 4.32Å; I54-E192 HydrophobicContact CD1-CG 3.65Å; I54-E192 HydrophobicContact CG1-CG 4.19Å; I54-E192 WeakPolarHBondContact CG1-O 3.44Å; I54-E192 PolarHBondContact N-O 3.02Å; I54-T193 HydrophobicContact CD1-CG2 4.36Å; I54-T193 HydrophobicContact CG1-CG2 3.98Å; I54-T193 CarbonylContact O-C 3.56Å; I54-T193 VanDerWaalsContact O-CA 3.27Å; I54-T193 WeakPolarHBondContact O-CA 3.49Å; I54-I194 PolarHBondContact O-N 2.72Å
55V96.6Very high95.4Very high2 Ų226.3 Ų26.31%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-113.9106.9172-177.70000108L57 Y64 I65 I194 S233 Y235 L237V55-L57 PolarHBondContact O-N 2.93Å; V55-Y64 CarbonylContact O-C 3.56Å; V55-Y64 WeakPolarHBondContact O-CA 3.36Å; V55-Y64 WeakPolarHBondContact O-CB 3.43Å; V55-I65 HydrophobicContact CB-CB 4.19Å; V55-I65 PolarHBondContact N-O 3Å; V55-I65 PolarHBondContact O-N 3.43Å; V55-I194 HydrophobicContact CG2-CG2 4.13Å; V55-S233 WeakPolarHBondContact CG2-OG 3.25Å; V55-Y235 VanDerWaalsContact CG2-O 3.29Å; V55-Y235 WeakPolarHBondContact CG2-O 3.41Å; V55-L237 HydrophobicContact CG1-CB 4.41Å
56P95Very high95.3Very high1 Ų129 Ų291%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-62133.8175.2-20.832.3000111.2M61 T193 R242P56-M61 HydrophobicContact CB-CB 4.37Å; P56-M61 HydrophobicContact CB-CG 4.12Å; P56-M61 HydrophobicContact CB-SD 4.07Å; P56-M61 HydrophobicContact CG-SD 3.97Å; P56-T193 HydrophobicContact CG-CG2 3.61Å; P56-R242 PolarHBondContact O-NE 3.25Å
57L94.8Very high95.1Very high10 Ų1031.2 Ų31.25%0.05215%0.154CC..SBendtrans-88.8-20.6173.6-62.1-175.8000112.5V55 R63 I65 L237 P243 I247 L279V55-L57 PolarHBondContact O-N 2.93Å; L57-R63 HydrophobicContact CB-CB 4.42Å; L57-R63 HydrophobicContact CD1-CB 4.05Å; L57-R63 PolarHBondContact N-O 2.78Å; L57-I65 HydrophobicContact CD2-CD1 4.06Å; L57-I65 HydrophobicContact CD2-CG1 4.1Å; L57-L237 HydrophobicContact CD2-CD2 4.45Å; L57-P243 WeakPolarHBondContact O-CD 3.42Å; L57-I247 HydrophobicContact CB-CD1 4.24Å; L57-L279 HydrophobicContact CD1-CD1 3.87Å; L57-L279 HydrophobicContact CD2-CD1 4.19Å
58E93.2Very high94.6Very high0 Ų038.8 Ų38.80%019%0.187CC..SBendtrans-128.9160179.2-54.1102.4163.100110.7V62 R63 P243 I247E58-V62 PolarHBondContact OE2-N 2.72Å; E58-R63 WeakPolarHBondContact OE1-CD 3.37Å; E58-R63 IonicContact OE1-NE 3.86Å; E58-R63 PolarHBondContact OE2-N 3.48Å; E58-P243 CarbonylContact C-O 3.53Å; E58-P243 VanDerWaalsContact CA-O 3.29Å; E58-P243 WeakPolarHBondContact CA-O 3.31Å; E58-P243 WeakPolarHBondContact CB-O 3.25Å; E58-P243 HydrophobicContact CG-CG 4.02Å; E58-I247 HydrophobicContact CG-CD1 4.48Å; E58-I247 HydrophobicContact CG-CG1 4.14Å; E58-I247 PolarHBondContact OE1-N 2.81Å
59I90.6Very high94.3Very high60 Ų6040.3 Ų40.331%0.30820%0.198SC..SBendtrans-65.9-51.7174.6-60.2176.5000109.7M61 R242 P243I59-M61 VanDerWaalsContact C-N 3.32Å; I59-M61 PolarHBondContact O-N 3.16Å; I59-M61 VanDerWaalsContact O-N 3.16Å; I59-R242 HydrophobicContact CG1-CB 3.95Å; I59-P243 PolarHBondContact N-O 2.83Å
60N91.1Very high94Very high81 Ų8142.4 Ų42.443%0.43321%0.211SC..SBendtrans-85.284168.2-60.6-54.2000107.8V62 E244N60-V62 PolarHBondContact O-N 3.17Å; N60-V62 VanDerWaalsContact O-N 3.11Å; N60-E244 VanDerWaalsContact CB-O 3.24Å; N60-E244 WeakPolarHBondContact CB-O 3.43Å; N60-E244 PolarHBondContact N-O 3.06Å; N60-E244 VanDerWaalsContact N-O 3.13Å; N60-E244 PolarHBondContact ND2-O 2.83Å
61M89.9Confident93.8Very high61 Ų6142.4 Ų42.430%0.321%0.211SC..  trans-54.2113.9-170.5-175.9178.373.900112I54 P56 I59 Y64I54-M61 HydrophobicContact CD1-CE 3.72Å; I54-M61 HydrophobicContact CD1-SD 3.38Å; I54-M61 WeakPolarHBondContact CD1-SD 3.37Å; I54-M61 HydrophobicContact CG1-SD 4.37Å; P56-M61 HydrophobicContact CB-CB 4.37Å; P56-M61 HydrophobicContact CB-CG 4.12Å; P56-M61 HydrophobicContact CB-SD 4.07Å; P56-M61 HydrophobicContact CG-SD 3.97Å; I59-M61 VanDerWaalsContact C-N 3.32Å; I59-M61 PolarHBondContact O-N 3.16Å; I59-M61 VanDerWaalsContact O-N 3.16Å; M61-Y64 HydrophobicContact CG-CD1 4.3Å; M61-Y64 HydrophobicContact SD-CD1 4.19Å
62V92Very high93.7Very high84 Ų8445.1 Ų45.151%0.50923%0.225SC..SBendtrans-114.6-33.7168.3177.20000109.9E58 N60 K246E58-V62 PolarHBondContact OE2-N 2.72Å; N60-V62 PolarHBondContact O-N 3.17Å; N60-V62 VanDerWaalsContact O-N 3.11Å; V62-K246 HydrophobicContact CB-CB 4.45Å; V62-K246 HydrophobicContact CG1-CD 4.25Å; V62-K246 HydrophobicContact CG1-CG 4.29Å; V62-K246 HydrophobicContact CG2-CB 4.31Å
63R93.6Very high93.6Very high79 Ų7951.8 Ų51.830%0.29825%0.25SS..  trans-124.1148178.9-53.8173.9-166173.74.7109.4L57 E58 I247L57-R63 HydrophobicContact CB-CB 4.42Å; L57-R63 HydrophobicContact CD1-CB 4.05Å; L57-R63 PolarHBondContact N-O 2.78Å; E58-R63 WeakPolarHBondContact OE1-CD 3.37Å; E58-R63 IonicContact OE1-NE 3.86Å; E58-R63 PolarHBondContact OE2-N 3.48Å; R63-I247 PolarHBondContact NH1-O 2.84Å; R63-I247 VanDerWaalsContact NH1-O 3.13Å; R63-I247 PolarHBondContact NH2-O 3.11Å
64Y95.3Very high93.6Very high114 Ų11451.9 Ų51.945%0.44725%0.251SS..EExtended strand (participates in β ladder)trans-151.9158.2179.654.1-93.2000110.6I54 V55 M61 D66I54-Y64 HydrophobicContact CB-CD2 3.95Å; I54-Y64 HydrophobicContact CB-CG 4.28Å; I54-Y64 HydrophobicContact CD1-CD1 4.48Å; I54-Y64 HydrophobicContact CD1-CD2 4.43Å; I54-Y64 HydrophobicContact CD1-CG 4.17Å; I54-Y64 HydrophobicContact CG2-CD2 3.85Å; I54-Y64 HydrophobicContact CG2-CE2 4.16Å; V55-Y64 CarbonylContact O-C 3.56Å; V55-Y64 WeakPolarHBondContact O-CA 3.36Å; V55-Y64 WeakPolarHBondContact O-CB 3.43Å; M61-Y64 HydrophobicContact CG-CD1 4.3Å; M61-Y64 HydrophobicContact SD-CD1 4.19Å; Y64-D66 HydrophobicContact CD2-CB 4.02Å; Y64-D66 HydrophobicContact CE2-CB 3.94Å
65I95.7Very high93.6Very high58 Ų5851.8 Ų51.830%0.29725%0.25SS..EExtended strand (participates in β ladder)trans-95.1129167.2-57171.5000107.1I54 V55 L57 L281I54-I65 CarbonylContact C-O 3.55Å; I54-I65 VanDerWaalsContact CA-O 3.25Å; I54-I65 WeakPolarHBondContact CA-O 3.18Å; V55-I65 HydrophobicContact CB-CB 4.19Å; V55-I65 PolarHBondContact N-O 3Å; V55-I65 PolarHBondContact O-N 3.43Å; L57-I65 HydrophobicContact CD2-CD1 4.06Å; L57-I65 HydrophobicContact CD2-CG1 4.1Å; I65-L281 HydrophobicContact CD1-CD1 3.47Å; I65-L281 VanDerWaalsContact CD1-CD1 3.47Å; I65-L281 HydrophobicContact CD1-CD2 4.13Å; I65-L281 HydrophobicContact CD1-CG 4.42Å
66D95.6Very high93.6Very high57 Ų5755.6 Ų55.631%0.30527%0.27SS..EExtended strand (participates in β ladder)trans-114.1124-177.1-166.9-18.6000111.1I54 Y64 F68 R93I54-D66 HydrophobicContact CG2-CB 4.32Å; Y64-D66 HydrophobicContact CD2-CB 4.02Å; Y64-D66 HydrophobicContact CE2-CB 3.94Å; D66-F68 PolarHBondContact O-N 3.29Å; D66-R93 IonicContact OD1-CZ 3.32Å; D66-R93 IonicContact OD1-NH1 2.79Å; D66-R93 PolarHBondContact OD1-NH1 3.49Å; D66-R93 IonicContact OD1-NH2 3.99Å; D66-R93 IonicContact OD2-CZ 3.02Å; D66-R93 VanDerWaalsContact OD2-CZ 3.22Å; D66-R93 IonicContact OD2-NH1 3.22Å; D66-R93 PolarHBondContact OD2-NH1 2.99Å; D66-R93 IonicContact OD2-NH2 2.74Å; D66-R93 PolarHBondContact OD2-NH2 3.42Å
67N93.4Very high93.8Very high46 Ų4656.4 Ų56.425%0.24628%0.276CS..  trans-82.394.3165.3-89.936.2000109.8G52 T53 S69 A231 V232 S233G52-N67 WeakPolarHBondContact CA-O 3.41Å; T53-N67 PolarHBondContact O-N 3.06Å; T53-N67 VanDerWaalsContact O-N 3.15Å; N67-S69 PolarHBondContact O-N 3.25Å; N67-A231 HydrophobicContact CB-CB 4.11Å; N67-A231 WeakPolarHBondContact CB-O 3.49Å; N67-V232 PolarHBondContact ND2-O 3.39Å; N67-S233 WeakPolarHBondContact ND2-CA 3.39Å
68F89.1Confident94Very high160 Ų16055.9 Ų55.970%0.70227%0.273SS*.  trans-55.1124.3-175.3-177.6-98.5000113.7D66 T70D66-F68 PolarHBondContact O-N 3.29Å; F68-T70 HydrophobicContact CE1-CG2 4.14Å; F68-T70 HydrophobicContact CZ-CG2 3.75Å
69S92Very high94.2Very high32 Ų3256.2 Ų56.222%0.22428%0.275CS..  trans-158.6123.9167.4172.10000109.1N67 G71N67-S69 PolarHBondContact O-N 3.25Å; S69-G71 PolarHBondContact O-N 2.88Å; S69-G71 PolarHBondContact OG-N 3.34Å
70T92.1Very high94.5Very high44 Ų4460.9 Ų60.927%0.2729%0.289SS..  trans-66.5-21.217760.80000112.5F68 L72 L97F68-T70 HydrophobicContact CE1-CG2 4.14Å; F68-T70 HydrophobicContact CZ-CG2 3.75Å; T70-L72 VanDerWaalsContact C-N 3.32Å; T70-L72 PolarHBondContact OG1-N 3.38Å; T70-L97 WeakPolarHBondContact O-CB 3.35Å; T70-L97 VanDerWaalsContact O-CG 3.3Å; T70-L97 WeakPolarHBondContact O-CG 3.5Å; T70-L97 PolarHBondContact O-N 3.44Å
71G94.1Very high94.9Very high1 Ų158.4 Ų58.41%0.0128%0.275CS..SBendtrans82.52.8-172.900000114.5S50 S69 R73 G74 A75S50-G71 VanDerWaalsContact OG-CA 3.25Å; S50-G71 WeakPolarHBondContact OG-CA 3.31Å; S50-G71 PolarHBondContact OG-O 2.89Å; S69-G71 PolarHBondContact O-N 2.88Å; S69-G71 PolarHBondContact OG-N 3.34Å; G71-R73 VanDerWaalsContact C-N 3.33Å; G71-R73 PolarHBondContact O-N 2.92Å; G71-G74 PolarHBondContact O-N 3.5Å; G71-A75 PolarHBondContact O-N 3.04Å
72L94Very high95.2Very high57 Ų5755.7 Ų55.730%0.29826%0.261SS..Hα-helixtrans-56.9-43.9-176.3-176.758.1000112.9T70 G74 A75 L76 L97T70-L72 VanDerWaalsContact C-N 3.32Å; T70-L72 PolarHBondContact OG1-N 3.38Å; L72-G74 PolarHBondContact O-N 2.91Å; L72-A75 PolarHBondContact O-N 2.92Å; L72-L76 HydrophobicContact CD1-CD1 3.94Å; L72-L76 HydrophobicContact CD1-CG 4Å; L72-L76 HydrophobicContact CG-CD1 3.93Å; L72-L76 HydrophobicContact CG-CG 4.39Å; L72-L76 WeakPolarHBondContact O-CB 3.36Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.97Å; L72-L97 HydrophobicContact CB-CD1 3.72Å; L72-L97 HydrophobicContact CD1-CD1 3.95Å; L72-L97 HydrophobicContact CG-CD1 4.37Å
73R93.9Very high95.4Very high140 Ų14056.7 Ų56.753%0.52826%0.256SS..Hα-helixtrans-61.4-46179.4-177.1-179.8-61167.83.6111.7G71 S77G71-R73 VanDerWaalsContact C-N 3.33Å; G71-R73 PolarHBondContact O-N 2.92Å; R73-S77 VanDerWaalsContact O-CB 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.29Å; R73-S77 PolarHBondContact O-N 3.4Å; R73-S77 PolarHBondContact O-OG 3.27Å
74G97Very high95.6Very high1 Ų155 Ų551%0.0126%0.257CS..Hα-helixtrans-64.2-43.6178.200000111.1S50 G71 L72 S77 A78 Y90S50-G74 WeakPolarHBondContact OG-CA 3.23Å; G71-G74 PolarHBondContact O-N 3.5Å; L72-G74 PolarHBondContact O-N 2.91Å; G74-S77 PolarHBondContact O-N 3.06Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 3.24Å; G74-Y90 WeakPolarHBondContact O-CE2 3.5Å
75A97.1Very high95.6Very high0 Ų052.7 Ų52.70%025%0.252CS..Hα-helixtrans-60.3-50.817900000111.8G71 L72 S77 A78 E79 Y90 L97G71-A75 PolarHBondContact O-N 3.04Å; L72-A75 PolarHBondContact O-N 2.92Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 PolarHBondContact O-N 3.17Å; A75-A78 WeakPolarHBondContact O-CB 3.5Å; A75-A78 PolarHBondContact O-N 2.92Å; A75-E79 PolarHBondContact O-N 2.82Å; A75-Y90 WeakPolarHBondContact CA-OH 3.47Å; A75-Y90 PolarHBondContact N-OH 3.41Å; A75-Y90 VanDerWaalsContact N-OH 3.12Å; A75-L97 HydrophobicContact CB-CB 4.36Å
76L97Very high95.7Very high81 Ų8152.2 Ų52.242%0.42425%0.247SC..Hα-helixtrans-62.8-39.7177-70.8174.1000112.2L72 A78 E79 Y80 H102L72-L76 HydrophobicContact CD1-CD1 3.94Å; L72-L76 HydrophobicContact CD1-CG 4Å; L72-L76 HydrophobicContact CG-CD1 3.93Å; L72-L76 HydrophobicContact CG-CG 4.39Å; L72-L76 WeakPolarHBondContact O-CB 3.36Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.97Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-E79 PolarHBondContact O-N 3.3Å; L76-Y80 PolarHBondContact O-N 3.01Å; L76-H102 WeakPolarHBondContact CD2-NE2 3.32Å
77S97.9Very high95.8Very high18 Ų1849.5 Ų49.513%0.12623%0.232CC..Hα-helixtrans-64.7-40.5177.8-58.50000111.3R73 G74 A75 E79 Y80 F81 Y227R73-S77 VanDerWaalsContact O-CB 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.29Å; R73-S77 PolarHBondContact O-N 3.4Å; R73-S77 PolarHBondContact O-OG 3.27Å; G74-S77 PolarHBondContact O-N 3.06Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 PolarHBondContact O-N 3.17Å; S77-E79 VanDerWaalsContact C-N 3.35Å; S77-E79 PolarHBondContact O-N 2.99Å; S77-Y80 WeakPolarHBondContact O-CB 3.47Å; S77-Y80 PolarHBondContact O-N 2.85Å; S77-F81 WeakPolarHBondContact O-CD2 3.21Å; S77-F81 PolarHBondContact O-N 3.27Å; S77-Y227 PolarHBondContact OG-OH 3.35Å; S77-Y227 VanDerWaalsContact OG-OH 3.13Å
78A98.4Very high96Very high0 Ų047.3 Ų47.30%022%0.221CC..Hα-helixtrans-58.1-46.8175.100000111.7I48 G74 A75 L76 Y80 F81 L82 V88 Y90 P99I48-A78 HydrophobicContact CD1-CB 3.72Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 3.24Å; A75-A78 WeakPolarHBondContact O-CB 3.5Å; A75-A78 PolarHBondContact O-N 2.92Å; L76-A78 VanDerWaalsContact C-N 3.35Å; A78-Y80 VanDerWaalsContact C-N 3.31Å; A78-Y80 PolarHBondContact O-N 3.37Å; A78-F81 PolarHBondContact O-N 2.87Å; A78-L82 VanDerWaalsContact O-CG 3.28Å; A78-L82 WeakPolarHBondContact O-CG 3.43Å; A78-L82 PolarHBondContact O-N 3.5Å; A78-V88 HydrophobicContact CB-CG1 3.96Å; A78-Y90 HydrophobicContact CB-CD2 3.88Å; A78-Y90 HydrophobicContact CB-CE2 4.13Å; A78-P99 HydrophobicContact CB-CB 4.03Å; A78-P99 HydrophobicContact CB-CG 3.48Å; A78-P99 VanDerWaalsContact CB-CG 3.48Å
79E97.9Very high96.5Very high6 Ų639.7 Ų39.73%0.02819%0.187CC..Hα-helixtrans-62.5-39.8176-56.3-178.5-172.400112.3A75 L76 S77 L82 R83 P99 F100 H102A75-E79 PolarHBondContact O-N 2.82Å; L76-E79 PolarHBondContact O-N 3.3Å; S77-E79 VanDerWaalsContact C-N 3.35Å; S77-E79 PolarHBondContact O-N 2.99Å; E79-L82 PolarHBondContact O-N 2.82Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.4Å; E79-R83 PolarHBondContact O-N 2.81Å; E79-R83 IonicContact OE2-CZ 2.73Å; E79-R83 IonicContact OE2-NH1 3.22Å; E79-R83 PolarHBondContact OE2-NH1 2.96Å; E79-R83 IonicContact OE2-NH2 3.82Å; E79-R83 PolarHBondContact OE2-NH2 3.12Å; E79-P99 HydrophobicContact CG-CB 3.97Å; E79-F100 HydrophobicContact CB-CE1 4.11Å; E79-F100 HydrophobicContact CB-CZ 4.36Å; E79-F100 HydrophobicContact CG-CD1 3.87Å; E79-F100 HydrophobicContact CG-CE1 3.73Å; E79-F100 HydrophobicContact CG-CE2 4.45Å; E79-F100 HydrophobicContact CG-CG 4.33Å; E79-F100 HydrophobicContact CG-CZ 4.05Å; E79-F100 WeakPolarHBondContact OE1-CA 3.49Å; E79-F100 PolarHBondContact OE1-N 3.36Å; E79-H102 IonicContact OE1-CD2 2.78Å; E79-H102 PolarHBondContact OE1-CD2 2.95Å; E79-H102 VanDerWaalsContact OE1-CD2 3.32Å; E79-H102 IonicContact OE1-NE2 3.47Å; E79-H102 PolarHBondContact OE1-NE2 3.45Å
80Y97.8Very high96.8Very high158 Ų15838.2 Ų38.262%0.6218%0.177SC*.Hα-helixtrans-61.9-44.4176.4-176.4-89.9000112.1L76 S77 A78 R83 S84L76-Y80 PolarHBondContact O-N 3.01Å; S77-Y80 WeakPolarHBondContact O-CB 3.47Å; S77-Y80 PolarHBondContact O-N 2.85Å; A78-Y80 VanDerWaalsContact C-N 3.31Å; A78-Y80 PolarHBondContact O-N 3.37Å; Y80-R83 PolarHBondContact O-N 2.86Å; Y80-S84 WeakPolarHBondContact O-CB 3.22Å; Y80-S84 PolarHBondContact O-N 2.81Å; Y80-S84 PolarHBondContact O-OG 2.86Å
81F98.2Very high97.1Very high29 Ų2936.4 Ų36.413%0.12717%0.165CC..Hα-helixtrans-64.2-42.6176.4-81.4-66.1000112V46 I48 S77 A78 R83 S84 N85 Y86 V88 Y227V46-F81 HydrophobicContact CG1-CB 3.87Å; V46-F81 HydrophobicContact CG1-CD1 4.02Å; V46-F81 HydrophobicContact CG1-CD2 4.01Å; V46-F81 HydrophobicContact CG1-CG 3.72Å; V46-F81 HydrophobicContact CG2-CD2 4.44Å; V46-F81 HydrophobicContact CG2-CE1 4.5Å; V46-F81 HydrophobicContact CG2-CE2 4.2Å; V46-F81 HydrophobicContact CG2-CZ 4.24Å; I48-F81 HydrophobicContact CD1-CD2 3.64Å; I48-F81 HydrophobicContact CD1-CE2 4.22Å; I48-F81 HydrophobicContact CG1-CD2 4.41Å; S77-F81 WeakPolarHBondContact O-CD2 3.21Å; S77-F81 PolarHBondContact O-N 3.27Å; A78-F81 PolarHBondContact O-N 2.87Å; F81-R83 PolarHBondContact O-N 3.09Å; F81-S84 CarbonylContact O-C 3.51Å; F81-S84 WeakPolarHBondContact O-CA 3.42Å; F81-S84 PolarHBondContact O-N 3.37Å; F81-N85 PolarHBondContact O-N 3.15Å; F81-Y86 HydrophobicContact CB-CG 4.34Å; F81-Y86 AromaticContact CD1-CD1 3.91Å; F81-Y86 HydrophobicContact CD1-CD1 3.91Å; F81-Y86 AromaticContact CD1-CD2 3.89Å; F81-Y86 HydrophobicContact CD1-CD2 3.89Å; F81-Y86 HydrophobicContact CD1-CE1 4.08Å; F81-Y86 HydrophobicContact CD1-CE2 4.06Å; F81-Y86 AromaticContact CD1-CG 3.83Å; F81-Y86 HydrophobicContact CD1-CG 3.83Å; F81-Y86 HydrophobicContact CE1-CD1 4.43Å; F81-Y86 HydrophobicContact CE1-CE1 4.19Å; F81-Y86 HydrophobicContact CE1-CE2 4.49Å; F81-Y86 WeakPolarHBondContact O-CB 3.49Å; F81-Y86 PolarHBondContact O-N 3.41Å; F81-V88 HydrophobicContact CB-CG2 3.71Å; F81-Y227 AromaticContact CE2-CD2 3.83Å; F81-Y227 HydrophobicContact CE2-CD2 3.83Å; F81-Y227 HydrophobicContact CE2-CE2 4.29Å; F81-Y227 HydrophobicContact CE2-CG 4.2Å; F81-Y227 HydrophobicContact CZ-CD2 4.09Å
82L97.4Very high97.3Very high4 Ų437.1 Ų37.12%0.02117%0.168CC..Hα-helixtrans-58.3-48.1175-71.9167.4000111.5A78 E79 S84 N85 V88 F100 Y182 Y185 L186A78-L82 VanDerWaalsContact O-CG 3.28Å; A78-L82 WeakPolarHBondContact O-CG 3.43Å; A78-L82 PolarHBondContact O-N 3.5Å; E79-L82 PolarHBondContact O-N 2.82Å; L82-S84 PolarHBondContact O-N 3.41Å; L82-N85 PolarHBondContact O-N 2.94Å; L82-N85 VanDerWaalsContact O-N 3.15Å; L82-V88 HydrophobicContact CD2-CB 4.09Å; L82-V88 HydrophobicContact CD2-CG2 3.79Å; L82-V88 HydrophobicContact CG-CB 4.27Å; L82-V88 HydrophobicContact CG-CG2 3.71Å; L82-F100 HydrophobicContact CD1-CE2 3.66Å; L82-F100 HydrophobicContact CD1-CZ 3.76Å; L82-Y182 HydrophobicContact CB-CD1 4.03Å; L82-Y182 HydrophobicContact CB-CG 4.05Å; L82-Y185 WeakPolarHBondContact CD2-O 3.48Å; L82-L186 HydrophobicContact CD1-CB 4.25Å; L82-L186 HydrophobicContact CD1-CD1 4.46Å; L82-L186 HydrophobicContact CD1-CD2 4.46Å; L82-L186 HydrophobicContact CD2-CB 4.33Å
83R96.2Very high97.4Very high105 Ų10536.2 Ų36.240%0.39616%0.161SC..Hα-helixtrans-63.5-22.7175.1-67.3-179.7-165.5106.8-1112.8E79 Y80 F81 N85 E178 Y182E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.4Å; E79-R83 PolarHBondContact O-N 2.81Å; E79-R83 IonicContact OE2-CZ 2.73Å; E79-R83 IonicContact OE2-NH1 3.22Å; E79-R83 PolarHBondContact OE2-NH1 2.96Å; E79-R83 IonicContact OE2-NH2 3.82Å; E79-R83 PolarHBondContact OE2-NH2 3.12Å; Y80-R83 PolarHBondContact O-N 2.86Å; F81-R83 PolarHBondContact O-N 3.09Å; R83-N85 VanDerWaalsContact C-N 3.33Å; R83-E178 IonicContact CZ-OE2 3.64Å; R83-E178 VanDerWaalsContact CZ-OE2 3.29Å; R83-E178 IonicContact NE-OE2 2.8Å; R83-E178 PolarHBondContact NE-OE2 2.85Å; R83-E178 VanDerWaalsContact NE-OE2 3.16Å; R83-E178 IonicContact NH2-OE1 3.4Å; R83-E178 IonicContact NH2-OE2 2.83Å; R83-E178 PolarHBondContact NH2-OE2 3.12Å; R83-Y182 HydrophobicContact CG-CE1 4.49Å; R83-Y182 HydrophobicContact CG-CE2 3.93Å
84S96.5Very high97.5Very high45 Ų4535.5 Ų35.532%0.31516%0.162SC..THydrogen-bonded Turntrans-92.919.2177.6-55.30000113.6Y80 F81 L82 Y86Y80-S84 WeakPolarHBondContact O-CB 3.22Å; Y80-S84 PolarHBondContact O-N 2.81Å; Y80-S84 PolarHBondContact O-OG 2.86Å; F81-S84 CarbonylContact O-C 3.51Å; F81-S84 WeakPolarHBondContact O-CA 3.42Å; F81-S84 PolarHBondContact O-N 3.37Å; L82-S84 PolarHBondContact O-N 3.41Å; S84-Y86 WeakPolarHBondContact O-CD2 3.47Å; S84-Y86 PolarHBondContact O-N 3.49Å
85N95.5Very high97.3Very high64 Ų6439.4 Ų39.434%0.34220%0.202SC..THydrogen-bonded Turntrans62.538.7177-170.273.3000113.2T41 I42 F81 L82 R83T41-N85 PolarHBondContact O-ND2 3.17Å; T41-N85 PolarHBondContact OG1-OD1 3.21Å; I42-N85 VanDerWaalsContact CD1-OD1 3.25Å; I42-N85 WeakPolarHBondContact CD1-OD1 3.41Å; F81-N85 PolarHBondContact O-N 3.15Å; L82-N85 PolarHBondContact O-N 2.94Å; L82-N85 VanDerWaalsContact O-N 3.15Å; R83-N85 VanDerWaalsContact C-N 3.33Å
86Y97.5Very high97.2Very high49 Ų4940.1 Ų40.119%0.19221%0.207CC..  trans-101149.2165.5-74.1-116000110.3K44 V46 F81 S84K44-Y86 HydrophobicContact CB-CD1 3.44Å; K44-Y86 VanDerWaalsContact CB-CD1 3.44Å; K44-Y86 HydrophobicContact CB-CD2 4.26Å; K44-Y86 HydrophobicContact CB-CE1 3.5Å; K44-Y86 VanDerWaalsContact CB-CE1 3.5Å; K44-Y86 HydrophobicContact CB-CE2 4.31Å; K44-Y86 HydrophobicContact CB-CG 3.83Å; K44-Y86 HydrophobicContact CD-CD2 4.19Å; K44-Y86 HydrophobicContact CD-CE1 3.99Å; K44-Y86 HydrophobicContact CD-CE2 3.63Å; K44-Y86 VanDerWaalsContact CD-CZ 3.5Å; K44-Y86 HydrophobicContact CG-CE1 4.3Å; K44-Y86 WeakPolarHBondContact O-CA 3.33Å; V46-Y86 HydrophobicContact CB-CD1 4.02Å; V46-Y86 HydrophobicContact CG1-CD1 4.02Å; V46-Y86 HydrophobicContact CG1-CG 4.47Å; F81-Y86 HydrophobicContact CB-CG 4.34Å; F81-Y86 AromaticContact CD1-CD1 3.91Å; F81-Y86 HydrophobicContact CD1-CD1 3.91Å; F81-Y86 AromaticContact CD1-CD2 3.89Å; F81-Y86 HydrophobicContact CD1-CD2 3.89Å; F81-Y86 HydrophobicContact CD1-CE1 4.08Å; F81-Y86 HydrophobicContact CD1-CE2 4.06Å; F81-Y86 AromaticContact CD1-CG 3.83Å; F81-Y86 HydrophobicContact CD1-CG 3.83Å; F81-Y86 HydrophobicContact CE1-CD1 4.43Å; F81-Y86 HydrophobicContact CE1-CE1 4.19Å; F81-Y86 HydrophobicContact CE1-CE2 4.49Å; F81-Y86 WeakPolarHBondContact O-CB 3.49Å; F81-Y86 PolarHBondContact O-N 3.41Å; S84-Y86 WeakPolarHBondContact O-CD2 3.47Å; S84-Y86 PolarHBondContact O-N 3.49Å
87A97.9Very high97.1Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-83.5135.9155.300000109.5W32 I36 I42 K44 I45 V46 Y185W32-A87 HydrophobicContact CH2-CB 3.96Å; W32-A87 HydrophobicContact CZ2-CB 3.91Å; I36-A87 HydrophobicContact CB-CB 4.29Å; I36-A87 HydrophobicContact CD1-CB 3.38Å; I36-A87 HydrophobicContact CG1-CB 4.41Å; I36-A87 HydrophobicContact CG2-CB 4.27Å; I42-A87 HydrophobicContact CG2-CB 3.97Å; K44-A87 PolarHBondContact O-N 3.3Å; I45-A87 WeakPolarHBondContact CA-O 3.39Å; I45-A87 HydrophobicContact CG1-CB 4.38Å; V46-A87 PolarHBondContact N-O 2.8Å; A87-Y185 CarbonylContact C-O 3.53Å; A87-Y185 WeakPolarHBondContact CA-O 3.16Å
88V98.5Very high97Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-116.1119.6-174179.80000110.2V46 I48 A78 F81 L82 Y185 L186 F187V46-V88 HydrophobicContact CG1-CB 4.36Å; V46-V88 HydrophobicContact CG1-CG1 4.41Å; V46-V88 HydrophobicContact CG1-CG2 3.75Å; V46-V88 WeakPolarHBondContact O-CA 3.49Å; I48-V88 HydrophobicContact CD1-CG1 3.64Å; I48-V88 HydrophobicContact CG1-CG1 4.11Å; A78-V88 HydrophobicContact CB-CG1 3.96Å; F81-V88 HydrophobicContact CB-CG2 3.71Å; L82-V88 HydrophobicContact CD2-CB 4.09Å; L82-V88 HydrophobicContact CD2-CG2 3.79Å; L82-V88 HydrophobicContact CG-CB 4.27Å; L82-V88 HydrophobicContact CG-CG2 3.71Å; V88-Y185 PolarHBondContact N-O 3.44Å; V88-L186 HydrophobicContact CB-CD1 4.06Å; V88-L186 HydrophobicContact CG1-CD1 3.96Å; V88-L186 WeakPolarHBondContact O-CA 3.28Å; V88-F187 PolarHBondContact O-N 3.22Å
89L98.5Very high96.9Very high0 Ų038.7 Ų38.70%020%0.198CC..EExtended strand (participates in β ladder)trans-93.9108.8163.1-171.1160.8000107.6L29 W32 V46 C47 I48 F91 F187 L189 I204 L208L29-L89 HydrophobicContact CD1-CD1 3.8Å; W32-L89 HydrophobicContact CH2-CB 4.4Å; W32-L89 HydrophobicContact CZ3-CB 4.45Å; V46-L89 PolarHBondContact O-N 2.89Å; C47-L89 CarbonylContact C-O 3.54Å; C47-L89 WeakPolarHBondContact CA-O 3.39Å; I48-L89 PolarHBondContact N-O 2.88Å; L89-F91 HydrophobicContact CD2-CB 4.15Å; L89-F187 CarbonylContact C-O 3.44Å; L89-F187 WeakPolarHBondContact CA-O 3.4Å; L89-F187 HydrophobicContact CD1-CD1 4.43Å; L89-F187 HydrophobicContact CG-CD1 4.13Å; L89-L189 HydrophobicContact CD2-CD1 4.15Å; L89-I204 HydrophobicContact CD1-CG2 3.72Å; L89-I204 HydrophobicContact CD2-CD1 3.88Å; L89-I204 HydrophobicContact CD2-CG1 4.28Å; L89-I204 HydrophobicContact CD2-CG2 4Å; L89-L208 HydrophobicContact CD1-CD1 4.45Å; L89-L208 HydrophobicContact CD1-CD2 4.49Å
90Y98.6Very high96.8Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-99.698.4-176.8-167.2-111000110I48 S50 G74 A75 A78 H92 L97 L98 P99 F187 T188 L189I48-Y90 HydrophobicContact CB-CD2 4.03Å; I48-Y90 HydrophobicContact CG2-CD2 3.93Å; I48-Y90 HydrophobicContact CG2-CE2 3.92Å; S50-Y90 VanDerWaalsContact CB-CZ 3.46Å; S50-Y90 WeakPolarHBondContact CB-OH 3.25Å; S50-Y90 PolarHBondContact OG-OH 2.8Å; G74-Y90 WeakPolarHBondContact O-CE2 3.5Å; A75-Y90 WeakPolarHBondContact CA-OH 3.47Å; A75-Y90 PolarHBondContact N-OH 3.41Å; A75-Y90 VanDerWaalsContact N-OH 3.12Å; A78-Y90 HydrophobicContact CB-CD2 3.88Å; A78-Y90 HydrophobicContact CB-CE2 4.13Å; Y90-H92 HydrophobicContact CD1-CB 3.72Å; Y90-H92 AromaticContact CD1-CD2 3.49Å; Y90-H92 VanDerWaalsContact CD1-CD2 3.49Å; Y90-H92 WeakPolarHBondContact CD1-CD2 3.3Å; Y90-H92 AromaticContact CD1-CG 3.77Å; Y90-H92 HydrophobicContact CE1-CB 3.38Å; Y90-H92 AromaticContact CE1-CD2 3.84Å; Y90-H92 AromaticContact CE1-CG 3.64Å; Y90-L97 PolarHBondContact OH-O 2.99Å; Y90-L98 HydrophobicContact CD1-CD2 4.07Å; Y90-L98 HydrophobicContact CE1-CD2 3.78Å; Y90-P99 HydrophobicContact CD1-CG 4.16Å; Y90-P99 HydrophobicContact CD2-CG 4.2Å; Y90-P99 HydrophobicContact CE1-CG 4.21Å; Y90-P99 HydrophobicContact CE2-CG 4.26Å; Y90-P99 HydrophobicContact CG-CG 4.16Å; Y90-F187 PolarHBondContact N-O 3.4Å; Y90-T188 HydrophobicContact CD1-CG2 4.47Å; Y90-T188 WeakPolarHBondContact O-CA 3.46Å; Y90-L189 PolarHBondContact O-N 3.39Å
91F98.4Very high96.5Very high6 Ų635.1 Ų35.13%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-94.7107.4177.7-175.8-141.6000109.3I48 T49 S50 L89 L189 F191 Y197 L201 I204I48-F91 PolarHBondContact O-N 2.98Å; T49-F91 CarbonylContact C-O 3.53Å; T49-F91 VanDerWaalsContact CA-O 3.22Å; T49-F91 WeakPolarHBondContact CA-O 3.32Å; T49-F91 HydrophobicContact CG2-CD1 4.11Å; S50-F91 PolarHBondContact N-O 3.13Å; L89-F91 HydrophobicContact CD2-CB 4.15Å; F91-L189 CarbonylContact C-O 3.38Å; F91-L189 VanDerWaalsContact CA-O 3.31Å; F91-L189 WeakPolarHBondContact CA-O 3.5Å; F91-L189 HydrophobicContact CD2-CB 3.71Å; F91-L189 HydrophobicContact CE2-CB 4.4Å; F91-F191 HydrophobicContact CD1-CD1 4.08Å; F91-F191 HydrophobicContact CD1-CE1 4.34Å; F91-F191 AromaticContact CD2-CD1 3.7Å; F91-F191 HydrophobicContact CD2-CD1 3.7Å; F91-F191 HydrophobicContact CD2-CE1 4.47Å; F91-F191 AromaticContact CE1-CD1 3.89Å; F91-F191 HydrophobicContact CE1-CD1 3.89Å; F91-F191 HydrophobicContact CE1-CE1 4.43Å; F91-F191 HydrophobicContact CE2-CB 3.71Å; F91-F191 AromaticContact CE2-CD1 3.52Å; F91-F191 HydrophobicContact CE2-CD1 3.52Å; F91-F191 HydrophobicContact CE2-CG 4.07Å; F91-F191 AromaticContact CG-CD1 3.99Å; F91-F191 HydrophobicContact CG-CD1 3.99Å; F91-F191 HydrophobicContact CG-CE1 4.35Å; F91-F191 HydrophobicContact CZ-CB 3.76Å; F91-F191 AromaticContact CZ-CD1 3.61Å; F91-F191 HydrophobicContact CZ-CD1 3.61Å; F91-F191 HydrophobicContact CZ-CG 4.02Å; F91-F191 WeakPolarHBondContact O-CE1 3.24Å; F91-Y197 HydrophobicContact CD1-CD2 4.37Å; F91-Y197 HydrophobicContact CD1-CE2 4.44Å; F91-Y197 AromaticContact CE1-CD2 3.84Å; F91-Y197 HydrophobicContact CE1-CD2 3.84Å; F91-Y197 HydrophobicContact CE1-CE2 4.27Å; F91-Y197 HydrophobicContact CE1-CG 4.45Å; F91-Y197 WeakPolarHBondContact CE1-O 3.46Å; F91-L201 HydrophobicContact CE1-CB 4.22Å; F91-I204 HydrophobicContact CB-CD1 3.87Å; F91-I204 HydrophobicContact CD1-CD1 3.73Å; F91-I204 HydrophobicContact CD2-CD1 3.93Å; F91-I204 HydrophobicContact CE1-CD1 4.22Å; F91-I204 HydrophobicContact CE2-CD1 4.38Å; F91-I204 HydrophobicContact CG-CD1 3.58Å
92H98.3Very high96.2Very high16 Ų1634.2 Ų34.27%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-134.6156.4-163.771.887.5000114S50 Y90 K94 L98 L189 D190 F191S50-H92 CarbonylContact O-C 3.48Å; S50-H92 VanDerWaalsContact O-CA 3.24Å; S50-H92 WeakPolarHBondContact O-CA 3.48Å; Y90-H92 HydrophobicContact CD1-CB 3.72Å; Y90-H92 AromaticContact CD1-CD2 3.49Å; Y90-H92 VanDerWaalsContact CD1-CD2 3.49Å; Y90-H92 WeakPolarHBondContact CD1-CD2 3.3Å; Y90-H92 AromaticContact CD1-CG 3.77Å; Y90-H92 HydrophobicContact CE1-CB 3.38Å; Y90-H92 AromaticContact CE1-CD2 3.84Å; Y90-H92 AromaticContact CE1-CG 3.64Å; H92-K94 PolarHBondContact O-N 3.18Å; H92-L98 VanDerWaalsContact CE1-CD2 3.44Å; H92-L98 WeakPolarHBondContact CE1-CD2 3Å; H92-L98 WeakPolarHBondContact NE2-CD2 2.83Å; H92-L189 PolarHBondContact CD2-O 2.94Å; H92-L189 VanDerWaalsContact CD2-O 3.27Å; H92-L189 PolarHBondContact N-O 3.35Å; H92-D190 CarbonylContact O-C 3.48Å; H92-D190 WeakPolarHBondContact O-CA 3.29Å; H92-F191 VanDerWaalsContact C-CD1 3.4Å; H92-F191 VanDerWaalsContact CA-CE1 3.49Å; H92-F191 WeakPolarHBondContact O-CD1 3.34Å; H92-F191 PolarHBondContact O-N 3.02Å
93R97.3Very high95.8Very high38 Ų3836.6 Ų36.614%0.14319%0.194CC..EExtended strand (participates in β ladder)trans-64.2134.1170.7-172.7-159.8179.9161.1-6.7110.2S50 G52 D66 G95 S96 F191S50-R93 PolarHBondContact O-N 3.02Å; G52-R93 WeakPolarHBondContact O-CB 3.19Å; G52-R93 WeakPolarHBondContact O-CD 3.05Å; G52-R93 WeakPolarHBondContact O-CG 3.28Å; D66-R93 IonicContact OD1-CZ 3.32Å; D66-R93 IonicContact OD1-NH1 2.79Å; D66-R93 PolarHBondContact OD1-NH1 3.49Å; D66-R93 IonicContact OD1-NH2 3.99Å; D66-R93 IonicContact OD2-CZ 3.02Å; D66-R93 VanDerWaalsContact OD2-CZ 3.22Å; D66-R93 IonicContact OD2-NH1 3.22Å; D66-R93 PolarHBondContact OD2-NH1 2.99Å; D66-R93 IonicContact OD2-NH2 2.74Å; D66-R93 PolarHBondContact OD2-NH2 3.42Å; R93-G95 PolarHBondContact O-N 3.26Å; R93-S96 VanDerWaalsContact O-CB 3.28Å; R93-S96 WeakPolarHBondContact O-CB 3.13Å; R93-S96 PolarHBondContact O-N 2.89Å; R93-S96 PolarHBondContact O-OG 3.19Å; R93-F191 CarbonylContact C-O 3.6Å; R93-F191 VanDerWaalsContact CA-O 3.25Å; R93-F191 WeakPolarHBondContact CA-O 3.48Å; R93-F191 HydrophobicContact CB-CD2 4.45Å; R93-F191 HydrophobicContact CB-CE2 3.9Å; R93-F191 HydrophobicContact CB-CZ 4.13Å; R93-F191 HydrophobicContact CG-CE2 4.49Å
94K94.8Very high95.3Very high126 Ų12632.7 Ų32.755%0.54818%0.182SC..THydrogen-bonded Turntrans-54131.9169.2-171.1174.1-178.5177.60110.8H92 S96 D190 F191H92-K94 PolarHBondContact O-N 3.18Å; K94-S96 PolarHBondContact O-N 3.34Å; K94-D190 HydrophobicContact CB-CB 4.35Å; K94-F191 PolarHBondContact N-O 3.32Å
95G93.2Very high94.4Very high83 Ų8332.6 Ų32.686%0.85618%0.179SC*.THydrogen-bonded Turntrans78.1-4.1-176.700000115.5R93R93-G95 PolarHBondContact O-N 3.26Å
96S94.7Very high92.9Very high15 Ų1530.9 Ų30.911%0.10517%0.171CC..SBendtrans-74.3166.4169.870.10000112.1R93 K94 L98R93-S96 VanDerWaalsContact O-CB 3.28Å; R93-S96 WeakPolarHBondContact O-CB 3.13Å; R93-S96 PolarHBondContact O-N 2.89Å; R93-S96 PolarHBondContact O-OG 3.19Å; K94-S96 PolarHBondContact O-N 3.34Å; S96-L98 PolarHBondContact O-N 3.31Å
97L95.3Very high90.9Very high12 Ų1231.9 Ų31.96%0.06318%0.177CC..PPolyproline II helixtrans-63132.3-179.7-65.1176.1000111.5T70 L72 A75 Y90 H102 T105T70-L97 WeakPolarHBondContact O-CB 3.35Å; T70-L97 VanDerWaalsContact O-CG 3.3Å; T70-L97 WeakPolarHBondContact O-CG 3.5Å; T70-L97 PolarHBondContact O-N 3.44Å; L72-L97 HydrophobicContact CB-CD1 3.72Å; L72-L97 HydrophobicContact CD1-CD1 3.95Å; L72-L97 HydrophobicContact CG-CD1 4.37Å; A75-L97 HydrophobicContact CB-CB 4.36Å; Y90-L97 PolarHBondContact OH-O 2.99Å; L97-H102 HydrophobicContact CB-CB 3.75Å; L97-H102 HydrophobicContact CD1-CB 4.28Å; L97-H102 HydrophobicContact CD2-CB 3.91Å; L97-H102 HydrophobicContact CG-CB 4.18Å; L97-T105 WeakPolarHBondContact CD2-OG1 3.46Å
98L95.9Very high88.7Confident50 Ų5036.2 Ų36.226%0.26220%0.197SC..PPolyproline II helixtrans-101.9151.4178.6-68.7-179.5000111.3Y90 H92 S96 F100 L101 H102Y90-L98 HydrophobicContact CD1-CD2 4.07Å; Y90-L98 HydrophobicContact CE1-CD2 3.78Å; H92-L98 VanDerWaalsContact CE1-CD2 3.44Å; H92-L98 WeakPolarHBondContact CE1-CD2 3Å; H92-L98 WeakPolarHBondContact NE2-CD2 2.83Å; S96-L98 PolarHBondContact O-N 3.31Å; L98-F100 PolarHBondContact O-N 2.88Å; L98-L101 HydrophobicContact CB-CB 4.06Å; L98-L101 HydrophobicContact CB-CD2 4.36Å; L98-L101 HydrophobicContact CD1-CD2 3.98Å; L98-L101 PolarHBondContact O-N 3Å; L98-H102 WeakPolarHBondContact O-CB 3.32Å; L98-H102 PolarHBondContact O-N 3.3Å
99P96.7Very high86.3Confident6 Ų639.9 Ų39.94%0.03921%0.214CC..THydrogen-bonded Turntrans-55.3137.7174.2-20.533000110.4A78 E79 Y90 L101 L186A78-P99 HydrophobicContact CB-CB 4.03Å; A78-P99 HydrophobicContact CB-CG 3.48Å; A78-P99 VanDerWaalsContact CB-CG 3.48Å; E79-P99 HydrophobicContact CG-CB 3.97Å; Y90-P99 HydrophobicContact CD1-CG 4.16Å; Y90-P99 HydrophobicContact CD2-CG 4.2Å; Y90-P99 HydrophobicContact CE1-CG 4.21Å; Y90-P99 HydrophobicContact CE2-CG 4.26Å; Y90-P99 HydrophobicContact CG-CG 4.16Å; P99-L101 PolarHBondContact O-N 3.39Å; P99-L186 HydrophobicContact CB-CD2 4.16Å; P99-L186 HydrophobicContact CG-CD1 4.33Å; P99-L186 HydrophobicContact CG-CD2 4.16Å
100F95Very high83.8Confident2 Ų244.5 Ų44.51%0.00924%0.239CC..THydrogen-bonded Turntrans66.4-46.7-174-45.6-72.6000114.8E79 L82 L98 H102 R103 I175 E178 Y179 Y182E79-F100 HydrophobicContact CB-CE1 4.11Å; E79-F100 HydrophobicContact CB-CZ 4.36Å; E79-F100 HydrophobicContact CG-CD1 3.87Å; E79-F100 HydrophobicContact CG-CE1 3.73Å; E79-F100 HydrophobicContact CG-CE2 4.45Å; E79-F100 HydrophobicContact CG-CG 4.33Å; E79-F100 HydrophobicContact CG-CZ 4.05Å; E79-F100 WeakPolarHBondContact OE1-CA 3.49Å; E79-F100 PolarHBondContact OE1-N 3.36Å; L82-F100 HydrophobicContact CD1-CE2 3.66Å; L82-F100 HydrophobicContact CD1-CZ 3.76Å; L98-F100 PolarHBondContact O-N 2.88Å; F100-H102 VanDerWaalsContact C-N 3.27Å; F100-H102 PolarHBondContact O-N 3.44Å; F100-R103 PolarHBondContact O-N 2.64Å; F100-I175 HydrophobicContact CB-CG2 4Å; F100-E178 HydrophobicContact CD1-CB 3.92Å; F100-E178 HydrophobicContact CE1-CB 3.79Å; F100-Y179 AromaticContact CD2-CD2 3.84Å; F100-Y179 HydrophobicContact CD2-CD2 3.84Å; F100-Y179 HydrophobicContact CE2-CD2 4.44Å; F100-Y182 HydrophobicContact CE1-CD2 4.38Å; F100-Y182 HydrophobicContact CZ-CD2 4.01Å; F100-Y182 HydrophobicContact CZ-CG 4.38Å
101L92.5Very high80.9Confident87 Ų8747.2 Ų47.246%0.45525%0.25SC..THydrogen-bonded Turntrans-67.8-26.1-177.5-172.565.9000112.7L98 P99 R103 V104 T105L98-L101 HydrophobicContact CB-CB 4.06Å; L98-L101 HydrophobicContact CB-CD2 4.36Å; L98-L101 HydrophobicContact CD1-CD2 3.98Å; L98-L101 PolarHBondContact O-N 3Å; P99-L101 PolarHBondContact O-N 3.39Å; L101-R103 PolarHBondContact O-N 2.59Å; L101-V104 HydrophobicContact CD1-CB 4.18Å; L101-V104 HydrophobicContact CD1-CG2 4.27Å; L101-V104 WeakPolarHBondContact O-CB 3.46Å; L101-V104 PolarHBondContact O-N 3.13Å; L101-T105 PolarHBondContact O-N 2.83Å
102H91.6Very high78.5Confident11 Ų1152.9 Ų52.95%0.05128%0.276CS..Hα-helixtrans-57.5-24.817778.986.5000113.1L76 E79 L97 L98 F100 V104 T105 N106L76-H102 WeakPolarHBondContact CD2-NE2 3.32Å; E79-H102 IonicContact OE1-CD2 2.78Å; E79-H102 PolarHBondContact OE1-CD2 2.95Å; E79-H102 VanDerWaalsContact OE1-CD2 3.32Å; E79-H102 IonicContact OE1-NE2 3.47Å; E79-H102 PolarHBondContact OE1-NE2 3.45Å; L97-H102 HydrophobicContact CB-CB 3.75Å; L97-H102 HydrophobicContact CD1-CB 4.28Å; L97-H102 HydrophobicContact CD2-CB 3.91Å; L97-H102 HydrophobicContact CG-CB 4.18Å; L98-H102 WeakPolarHBondContact O-CB 3.32Å; L98-H102 PolarHBondContact O-N 3.3Å; F100-H102 VanDerWaalsContact C-N 3.27Å; F100-H102 PolarHBondContact O-N 3.44Å; H102-V104 VanDerWaalsContact C-N 3.32Å; H102-T105 WeakPolarHBondContact CA-OG1 3.33Å; H102-T105 PolarHBondContact O-N 2.9Å; H102-T105 PolarHBondContact O-OG1 3.38Å; H102-T105 VanDerWaalsContact O-OG1 3.11Å; H102-N106 WeakPolarHBondContact O-CB 3.44Å; H102-N106 PolarHBondContact O-N 2.91Å; H102-N106 PolarHBondContact O-OD1 2.86Å
103R89.4Confident76.1Confident53 Ų5357.3 Ų57.320%0.230%0.297CS..Hα-helixtrans-69.5-31.8175.9-65.2-175.5-75.4-176.5-7.1112F100 L101 F171 I175 E178F100-R103 PolarHBondContact O-N 2.64Å; L101-R103 PolarHBondContact O-N 2.59Å; R103-F171 HydrophobicContact CB-CZ 4.14Å; R103-I175 HydrophobicContact CB-CD1 3.78Å; R103-I175 HydrophobicContact CB-CG1 4.46Å; R103-E178 IonicContact CZ-OE1 3.24Å; R103-E178 IonicContact NH1-OE1 2.64Å; R103-E178 PolarHBondContact NH1-OE1 2.85Å; R103-E178 IonicContact NH2-OE1 3.29Å; R103-E178 PolarHBondContact NH2-OE1 3.32Å
104V85.6Confident73.8Confident23 Ų2361.1 Ų61.114%0.13932%0.316CS..Hα-helixtrans-70.4-43.6174.5172.10000110.3L101 H102 W152 L172 I175L101-V104 HydrophobicContact CD1-CB 4.18Å; L101-V104 HydrophobicContact CD1-CG2 4.27Å; L101-V104 WeakPolarHBondContact O-CB 3.46Å; L101-V104 PolarHBondContact O-N 3.13Å; H102-V104 VanDerWaalsContact C-N 3.32Å; V104-W152 HydrophobicContact CB-CH2 4.2Å; V104-W152 HydrophobicContact CB-CZ3 4.48Å; V104-W152 HydrophobicContact CG1-CH2 3.68Å; V104-W152 HydrophobicContact CG1-CZ3 3.75Å; V104-W152 HydrophobicContact CG2-CH2 4.38Å; V104-W152 HydrophobicContact CG2-CZ3 4.37Å; V104-L172 HydrophobicContact CG2-CD2 4.05Å; V104-I175 HydrophobicContact CG2-CD1 3.78Å
105T76.7Confident71.5Confident43 Ų4359 Ų5926%0.26431%0.307SS..Hα-helixtrans-79.7-33-177.255.70000113.7L97 L101 H102 Q107 Q108 Q109L97-T105 WeakPolarHBondContact CD2-OG1 3.46Å; L101-T105 PolarHBondContact O-N 2.83Å; H102-T105 WeakPolarHBondContact CA-OG1 3.33Å; H102-T105 PolarHBondContact O-N 2.9Å; H102-T105 PolarHBondContact O-OG1 3.38Å; H102-T105 VanDerWaalsContact O-OG1 3.11Å; T105-Q107 PolarHBondContact O-N 2.86Å; T105-Q108 WeakPolarHBondContact O-CA 3.27Å; T105-Q108 VanDerWaalsContact O-CB 3.27Å; T105-Q108 WeakPolarHBondContact O-CB 3.43Å; T105-Q108 PolarHBondContact O-N 3.1Å; T105-Q109 PolarHBondContact O-N 2.74Å
106N65.2Low69.4Low29 Ų2960.7 Ų60.716%0.15529%0.293CS..Hα-helixtrans-68.5-22.8-178.4-78.62.7000113.2H102 Q108 Q109 N110H102-N106 WeakPolarHBondContact O-CB 3.44Å; H102-N106 PolarHBondContact O-N 2.91Å; H102-N106 PolarHBondContact O-OD1 2.86Å; N106-Q108 PolarHBondContact O-N 3.12Å; N106-Q108 VanDerWaalsContact O-N 3.14Å; N106-Q109 PolarHBondContact O-N 2.85Å; N106-Q109 VanDerWaalsContact O-N 3.07Å; N106-N110 PolarHBondContact O-N 2.98Å
107Q55.9Low67.4Low69 Ų6965.8 Ų65.832%0.32232%0.315SS..Hα-helixtrans-60.3-19.6168.8-71.1-159.1-7.200112.3T105 I147 F171T105-Q107 PolarHBondContact O-N 2.86Å; Q107-I147 HydrophobicContact CB-CD1 4Å; Q107-I147 HydrophobicContact CB-CG2 4.36Å; Q107-F171 HydrophobicContact CG-CZ 4.42Å
108Q49.9Very low65.3Low91 Ų9170.3 Ų70.343%0.42534%0.336SS..Hα-helixtrans-90.7-29.6173.3-54.9-178.7-31.900112.7T105 N106 I147T105-Q108 WeakPolarHBondContact O-CA 3.27Å; T105-Q108 VanDerWaalsContact O-CB 3.27Å; T105-Q108 WeakPolarHBondContact O-CB 3.43Å; T105-Q108 PolarHBondContact O-N 3.1Å; N106-Q108 PolarHBondContact O-N 3.12Å; N106-Q108 VanDerWaalsContact O-N 3.14Å; Q108-I147 PolarHBondContact NE2-O 3.48Å
109Q48Very low63.3Low78 Ų7873.3 Ų73.336%0.36435%0.348SS..Hα-helixtrans-88.7-26.2-170.9-69.7-170.5-1600115.3T105 N106 Y111 H112 Q113T105-Q109 PolarHBondContact O-N 2.74Å; N106-Q109 PolarHBondContact O-N 2.85Å; N106-Q109 VanDerWaalsContact O-N 3.07Å; Q109-Y111 PolarHBondContact O-N 2.94Å; Q109-H112 PolarHBondContact O-N 2.72Å; Q109-Q113 PolarHBondContact O-N 3.46Å
110N47.1Very low61.1Low97 Ų9779.1 Ų79.152%0.51938%0.375SS..Hα-helixtrans-54.9-29.3176.8-77-3000112.1N106 E114N106-N110 PolarHBondContact O-N 2.98Å; N110-E114 WeakPolarHBondContact O-CG 3.39Å; N110-E114 PolarHBondContact O-N 3Å
111Y37.8Very low59.1Low56 Ų5685 Ų8522%0.2240%0.403CS..Hα-helixtrans-70.4-30.7176.5-169.6-105.2000114.6Q109 K115Q109-Y111 PolarHBondContact O-N 2.94Å; Y111-K115 HydrophobicContact CE1-CD 4.02Å; Y111-K115 VanDerWaalsContact CE1-CE 3.44Å; Y111-K115 PolarHBondContact O-N 3.16Å; Y111-K115 WeakPolarHBondContact OH-CE 3.21Å; Y111-K115 PolarHBondContact OH-NZ 3.19Å
112H46.9Very low57.1Low126 Ų12686.9 Ų86.958%0.58341%0.409SS*.Hα-helixtrans-81.6-33.9-178.5-76.5-67.2000112.5Q109 K115 E116Q109-H112 PolarHBondContact O-N 2.72Å; H112-K115 PolarHBondContact O-N 3.46Å; H112-E116 PolarHBondContact O-N 3.2Å; H112-E116 VanDerWaalsContact O-N 3.11Å
113Q48.5Very low55Low109 Ų10993.1 Ų93.151%0.50944%0.438SS..Hα-helixtrans-70.1-39.6175.3-72.8-175.2-30.600111.8Q109 K115 E116 E117Q109-Q113 PolarHBondContact O-N 3.46Å; Q113-K115 VanDerWaalsContact C-N 3.32Å; Q113-K115 PolarHBondContact O-N 3.11Å; Q113-E116 PolarHBondContact O-N 3.15Å; Q113-E117 WeakPolarHBondContact O-CG 3.15Å; Q113-E117 PolarHBondContact O-N 2.6Å
114E49.6Very low52.8Low117 Ų11798.7 Ų98.755%0.54746%0.464SS..Hα-helixtrans-60.5-40.6173.9-74.1173.3177.500111.6N110 E117 E118N110-E114 WeakPolarHBondContact O-CG 3.39Å; N110-E114 PolarHBondContact O-N 3Å; E114-E117 PolarHBondContact O-N 2.88Å; E114-E118 WeakPolarHBondContact O-CB 3.49Å; E114-E118 WeakPolarHBondContact O-CG 3.46Å; E114-E118 PolarHBondContact O-N 3.21Å
115K45.6Very low50.7Low81 Ų81102.2 Ų102.235%0.35249%0.488SS..Hα-helixtrans-69.1-34.7176.2-80.2-168.6176.2179.90114.4Y111 H112 Q113 Q119Y111-K115 HydrophobicContact CE1-CD 4.02Å; Y111-K115 VanDerWaalsContact CE1-CE 3.44Å; Y111-K115 PolarHBondContact O-N 3.16Å; Y111-K115 WeakPolarHBondContact OH-CE 3.21Å; Y111-K115 PolarHBondContact OH-NZ 3.19Å; H112-K115 PolarHBondContact O-N 3.46Å; Q113-K115 VanDerWaalsContact C-N 3.32Å; Q113-K115 PolarHBondContact O-N 3.11Å; K115-Q119 VanDerWaalsContact O-CB 3.28Å; K115-Q119 WeakPolarHBondContact O-CB 3.45Å; K115-Q119 WeakPolarHBondContact O-CG 3.22Å; K115-Q119 PolarHBondContact O-N 3.05Å
116E50.2Low49.2Very low120 Ų120105.4 Ų105.456%0.56151%0.508SS*.Hα-helixtrans-71-35175.4-78-175.817300111.7H112 Q113 Q120H112-E116 PolarHBondContact O-N 3.2Å; H112-E116 VanDerWaalsContact O-N 3.11Å; Q113-E116 PolarHBondContact O-N 3.15Å; E116-Q120 VanDerWaalsContact O-CB 3.32Å; E116-Q120 WeakPolarHBondContact O-CB 3.44Å; E116-Q120 WeakPolarHBondContact O-CG 3.42Å; E116-Q120 PolarHBondContact O-N 3.41Å; E116-Q120 PolarHBondContact O-NE2 3.21Å
117E52.6Low48Very low121 Ų121113.1 Ų113.157%0.56554%0.54SS*.Hα-helixtrans-72-39.4173.7-70.5-176177.700112.1Q113 E114 Q120 Q121Q113-E117 WeakPolarHBondContact O-CG 3.15Å; Q113-E117 PolarHBondContact O-N 2.6Å; E114-E117 PolarHBondContact O-N 2.88Å; E117-Q120 PolarHBondContact O-N 3.28Å; E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 VanDerWaalsContact O-CG 3.31Å; E117-Q121 WeakPolarHBondContact O-CG 3.23Å; E117-Q121 PolarHBondContact O-N 3.34Å
118E51.4Low47.3Very low108 Ų108117.2 Ų117.251%0.50556%0.559SS.*Hα-helixtrans-64.8-41.7172.7-78.5-178.8167.900112.2E114 Q121 Q122E114-E118 WeakPolarHBondContact O-CB 3.49Å; E114-E118 WeakPolarHBondContact O-CG 3.46Å; E114-E118 PolarHBondContact O-N 3.21Å; E118-Q121 PolarHBondContact O-N 3.46Å; E118-Q122 WeakPolarHBondContact O-CB 3.19Å; E118-Q122 VanDerWaalsContact O-CG 3.3Å; E118-Q122 WeakPolarHBondContact O-CG 3.33Å; E118-Q122 PolarHBondContact O-N 3.42Å
119Q52.3Low46.7Very low113 Ų113119.4 Ų119.453%0.52858%0.578SS.*Hα-helixtrans-67.8-37.7175.9-76.6174.84000112K115 Q121 Q122 Q123K115-Q119 VanDerWaalsContact O-CB 3.28Å; K115-Q119 WeakPolarHBondContact O-CB 3.45Å; K115-Q119 WeakPolarHBondContact O-CG 3.22Å; K115-Q119 PolarHBondContact O-N 3.05Å; Q119-Q121 VanDerWaalsContact C-N 3.34Å; Q119-Q122 PolarHBondContact O-N 3.44Å; Q119-Q123 WeakPolarHBondContact O-CB 3.47Å; Q119-Q123 PolarHBondContact O-N 3.49Å
120Q51.9Low46Very low128 Ų128123 Ų12360%0.59860%0.6SS**Hα-helixtrans-68.1-32.7173.7-76.7173.360.100112.3E116 E117 K124E116-Q120 VanDerWaalsContact O-CB 3.32Å; E116-Q120 WeakPolarHBondContact O-CB 3.44Å; E116-Q120 WeakPolarHBondContact O-CG 3.42Å; E116-Q120 PolarHBondContact O-N 3.41Å; E116-Q120 PolarHBondContact O-NE2 3.21Å; E117-Q120 PolarHBondContact O-N 3.28Å; Q120-K124 WeakPolarHBondContact O-CB 3.4Å; Q120-K124 PolarHBondContact O-N 3.31Å
121Q52Low45.5Very low126 Ų126122.7 Ų122.759%0.58961%0.606SS**Hα-helixtrans-74.7-38.6173.6-75.6171.721.300112.2E117 E118 Q119 K124 C125E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 VanDerWaalsContact O-CG 3.31Å; E117-Q121 WeakPolarHBondContact O-CG 3.23Å; E117-Q121 PolarHBondContact O-N 3.34Å; E118-Q121 PolarHBondContact O-N 3.46Å; Q119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-K124 WeakPolarHBondContact O-CB 3.44Å; Q121-K124 PolarHBondContact O-N 2.68Å; Q121-C125 PolarHBondContact O-N 2.78Å
122Q50.6Low45.2Very low125 Ų125127 Ų12758%0.58463%0.632SS**Hα-helixtrans-69.4-35.8175.6-74.6171.118.500112.7E118 Q119 K124 C125 T126E118-Q122 WeakPolarHBondContact O-CB 3.19Å; E118-Q122 VanDerWaalsContact O-CG 3.3Å; E118-Q122 WeakPolarHBondContact O-CG 3.33Å; E118-Q122 PolarHBondContact O-N 3.42Å; Q119-Q122 PolarHBondContact O-N 3.44Å; Q122-K124 VanDerWaalsContact C-N 3.27Å; Q122-K124 PolarHBondContact O-N 2.96Å; Q122-C125 PolarHBondContact O-N 3.24Å; Q122-T126 WeakPolarHBondContact O-CB 3.35Å; Q122-T126 WeakPolarHBondContact O-CG2 3.43Å; Q122-T126 PolarHBondContact O-N 2.64Å; Q122-T126 VanDerWaalsContact O-N 3.1Å; Q122-T126 PolarHBondContact O-OG1 3.16Å
123Q48Very low44.6Very low143 Ų143128 Ų12867%0.66864%0.642SS**Hα-helixtrans-69.9-23.2171.1-90179.2-1.300113.5Q119 T126Q119-Q123 WeakPolarHBondContact O-CB 3.47Å; Q119-Q123 PolarHBondContact O-N 3.49Å; Q123-T126 WeakPolarHBondContact CA-OG1 3.45Å; Q123-T126 PolarHBondContact O-OG1 3.29Å
124K43.4Very low44Very low170 Ų170130.7 Ų130.774%0.73966%0.659SS**Hα-helixtrans-78.9-36.7173.4-142.7174.5-176.6-175.30111.6Q120 Q121 Q122Q120-K124 WeakPolarHBondContact O-CB 3.4Å; Q120-K124 PolarHBondContact O-N 3.31Å; Q121-K124 WeakPolarHBondContact O-CB 3.44Å; Q121-K124 PolarHBondContact O-N 2.68Å; Q122-K124 VanDerWaalsContact C-N 3.27Å; Q122-K124 PolarHBondContact O-N 2.96Å
125C42.2Very low43.2Very low97 Ų97131.9 Ų131.966%0.65567%0.667SS**Hα-helixtrans-81.2-7.8176.7-72.60000114.9Q121 Q122Q121-C125 PolarHBondContact O-N 2.78Å; Q122-C125 PolarHBondContact O-N 3.24Å
126T43.3Very low42.5Very low109 Ų109135.2 Ų135.267%0.66969%0.689SS**THydrogen-bonded Turntrans-97.85.9177.738.60000114.1Q122 Q123Q122-T126 WeakPolarHBondContact O-CB 3.35Å; Q122-T126 WeakPolarHBondContact O-CG2 3.43Å; Q122-T126 PolarHBondContact O-N 2.64Å; Q122-T126 VanDerWaalsContact O-N 3.1Å; Q122-T126 PolarHBondContact O-OG1 3.16Å; Q123-T126 WeakPolarHBondContact CA-OG1 3.45Å; Q123-T126 PolarHBondContact O-OG1 3.29Å
127K42Very low41.5Very low191 Ų191134.8 Ų134.883%0.8370%0.695SS**SBendtrans-103.83.7170.5-69.5-168.1176.6-175.30113.9
128E41.1Very low40.4Very low155 Ų155135.7 Ų135.772%0.72471%0.709SS**SBendtrans-128.3141.6169.9-66.9179.1167.900105.8
129V36.4Very low39.3Very low137 Ų137137.2 Ų137.283%0.8372%0.721SS**  trans90.171-175.3-159.50000115
130D32.9Very low38.2Very low154 Ų154136.8 Ų136.882%0.82473%0.73SS**  trans-62.8152.6139-83.1-41.2000109.6
131S36.6Very low37.1Very low91 Ų91138.9 Ų138.964%0.63675%0.745SS**  trans82.5109.9167.48.50000119
132N31.9Very low36.1Very low145 Ų145135.7 Ų135.778%0.77575%0.746SS**  trans85131.1135.9-56.4-24.4000119.9
133N34.7Very low35.2Very low147 Ų147137.2 Ų137.279%0.78676%0.759SS**  trans94.391.5151.3-60.3-17.6000118.8I135N133-I135 PolarHBondContact O-N 3.12Å
134L34.6Very low34.7Very low167 Ų167137.3 Ų137.387%0.87476%0.759SS**  trans-17.9109.1135.4-141.9101000114.4
135I34.2Very low34.5Very low141 Ų141135.2 Ų135.272%0.72376%0.756SS**  trans-144.2114.8153.3-59.6-175.1000109.7N133 T137N133-I135 PolarHBondContact O-N 3.12Å; I135-T137 HydrophobicContact CG2-CG2 4.43Å; I135-T137 PolarHBondContact O-N 3.31Å
136N29.5Very low34.7Very low152 Ų152134.9 Ų134.981%0.81375%0.747SS**  trans-57123.1163.1-70.4-32.5000110.2
137T30.1Very low35.3Very low111 Ų111132 Ų13268%0.68173%0.728SS**  trans-136.4111162.431.30000110I135 N139I135-T137 HydrophobicContact CG2-CG2 4.43Å; I135-T137 PolarHBondContact O-N 3.31Å; T137-N139 PolarHBondContact O-N 3.11Å
138T28.5Very low36.5Very low140 Ų140128.1 Ų128.186%0.85971%0.712SS**  trans-54.5121.2162.244.10000110.2
139N28.9Very low38.3Very low140 Ų140124.4 Ų124.475%0.74970%0.697SS**  trans-126.799.9168.4-86.5-21000110.4T137T137-N139 PolarHBondContact O-N 3.11Å
140S30.2Very low40.4Very low103 Ų103125.1 Ų125.172%0.7269%0.689SS**  trans29114.9130420000119G142S140-G142 PolarHBondContact O-N 3.25Å
141N28.2Very low42.8Very low172 Ų172121.4 Ų121.492%0.9267%0.669SS**  trans-19.894.4151.9-62.9-21000115.1
142G29.9Very low45Very low59 Ų59118 Ų11861%0.60864%0.642SS**  trans-98.8113.1157.100000108.4S140 Q144S140-G142 PolarHBondContact O-N 3.25Å; G142-Q144 PolarHBondContact O-N 2.72Å
143N33.4Very low47.6Very low158 Ų158114.5 Ų114.585%0.84562%0.62SS**  trans-55.697.6173.1-91.3-18.5000109.8N145N143-N145 PolarHBondContact O-N 3.25Å; N143-N145 VanDerWaalsContact O-N 3.08Å
144Q36.3Very low50.1Low144 Ų144112.7 Ų112.767%0.67361%0.608SS**  trans-72.695171.3-74.1177.2-1700108.1G142 N146G142-Q144 PolarHBondContact O-N 2.72Å; Q144-N146 PolarHBondContact O-N 3.35Å
145N40.6Very low52.7Low127 Ų127110.2 Ų110.268%0.67959%0.591SS**  trans-7180.6173-78.5-19.5000110N143 I147N143-N145 PolarHBondContact O-N 3.25Å; N143-N145 VanDerWaalsContact O-N 3.08Å; N145-I147 VanDerWaalsContact C-N 3.33Å; N145-I147 HydrophobicContact CB-CG1 4.47Å; N145-I147 PolarHBondContact O-N 3.36Å
146N45.1Very low55.2Low89 Ų89105.5 Ų105.548%0.47657%0.567SS.*  trans-62.8100.6152.8-76.5-15000106.7Q144 E148 N151Q144-N146 PolarHBondContact O-N 3.35Å; N146-E148 PolarHBondContact O-N 3.28Å; N146-N151 PolarHBondContact O-ND2 3.3Å
147I56.2Low57.8Low50 Ų50103 Ų10326%0.25656%0.559SS.*  trans-75.276.1171.5-59.7173.6000107.3Q107 Q108 N145 W152Q107-I147 HydrophobicContact CB-CD1 4Å; Q107-I147 HydrophobicContact CB-CG2 4.36Å; Q108-I147 PolarHBondContact NE2-O 3.48Å; N145-I147 VanDerWaalsContact C-N 3.33Å; N145-I147 HydrophobicContact CB-CG1 4.47Å; N145-I147 PolarHBondContact O-N 3.36Å; I147-W152 HydrophobicContact CG2-CZ2 4.03Å; I147-W152 VanDerWaalsContact CG2-NE1 3.26Å
148E68.1Low60.5Low108 Ų108106.2 Ų106.251%0.50557%0.566SS.*  trans-65.5133.9161.7-67-172.5-178.600107.7N146 F150 N151N146-E148 PolarHBondContact O-N 3.28Å; E148-F150 PolarHBondContact O-N 3.39Å; E148-N151 VanDerWaalsContact O-CB 3.28Å; E148-N151 WeakPolarHBondContact O-CB 3.42Å; E148-N151 PolarHBondContact O-N 3.44Å
149I78Confident63.3Low77 Ų77103.8 Ų103.840%0.39555%0.548SS..G310 helixtrans-53.3-28.5178.4-168.9166.1000111.8N151 W152 F153I149-N151 VanDerWaalsContact C-N 3.28Å; I149-N151 PolarHBondContact O-N 2.74Å; I149-W152 HydrophobicContact CG1-CE3 4.45Å; I149-W152 WeakPolarHBondContact O-CB 3.48Å; I149-W152 PolarHBondContact O-N 2.97Å; I149-F153 HydrophobicContact CG1-CE2 4.26Å; I149-F153 VanDerWaalsContact O-CD2 3.25Å; I149-F153 WeakPolarHBondContact O-CD2 3.38Å; I149-F153 VanDerWaalsContact O-CE2 3.31Å; I149-F153 WeakPolarHBondContact O-CE2 3.26Å
150F80.7Confident66.1Low152 Ų152103.2 Ų103.267%0.66755%0.545SS*.G310 helixtrans-64.2-27.4174.7-65.8-67.1000113.9E148 W152 F153E148-F150 PolarHBondContact O-N 3.39Å; F150-W152 PolarHBondContact O-N 3.4Å; F150-W152 VanDerWaalsContact O-N 3.14Å; F150-F153 PolarHBondContact O-N 3Å
151N82.6Confident69Low77 Ų77104 Ų10441%0.41254%0.536SS..G310 helixtrans-67.3-13.1177.3-72.2-25.2000113.2N146 E148 I149 F153 K165N146-N151 PolarHBondContact O-ND2 3.3Å; E148-N151 VanDerWaalsContact O-CB 3.28Å; E148-N151 WeakPolarHBondContact O-CB 3.42Å; E148-N151 PolarHBondContact O-N 3.44Å; I149-N151 VanDerWaalsContact C-N 3.28Å; I149-N151 PolarHBondContact O-N 2.74Å; N151-F153 VanDerWaalsContact C-N 3.32Å; N151-K165 VanDerWaalsContact O-CD 3.25Å; N151-K165 WeakPolarHBondContact O-CD 3.44Å; N151-K165 WeakPolarHBondContact O-CE 3.19Å; N151-K165 PolarHBondContact O-NZ 2.95Å
152W83.2Confident71.8Confident20 Ų20101.1 Ų101.18%0.07652%0.519CS..G310 helixtrans-82-15175.1-63.3-0.3000113V104 I147 I149 F150 L164 K165 S168 F171 L172V104-W152 HydrophobicContact CB-CH2 4.2Å; V104-W152 HydrophobicContact CB-CZ3 4.48Å; V104-W152 HydrophobicContact CG1-CH2 3.68Å; V104-W152 HydrophobicContact CG1-CZ3 3.75Å; V104-W152 HydrophobicContact CG2-CH2 4.38Å; V104-W152 HydrophobicContact CG2-CZ3 4.37Å; I147-W152 HydrophobicContact CG2-CZ2 4.03Å; I147-W152 VanDerWaalsContact CG2-NE1 3.26Å; I149-W152 HydrophobicContact CG1-CE3 4.45Å; I149-W152 WeakPolarHBondContact O-CB 3.48Å; I149-W152 PolarHBondContact O-N 2.97Å; F150-W152 PolarHBondContact O-N 3.4Å; F150-W152 VanDerWaalsContact O-N 3.14Å; W152-L164 HydrophobicContact CB-CD2 4.31Å; W152-L164 CarbonylContact O-C 3.6Å; W152-L164 WeakPolarHBondContact O-CA 3.28Å; W152-K165 PolarHBondContact O-N 3.37Å; W152-S168 WeakPolarHBondContact CA-OG 3.49Å; W152-S168 WeakPolarHBondContact CB-OG 3.35Å; W152-F171 HydrophobicContact CH2-CD1 4.45Å; W152-F171 HydrophobicContact CH2-CE1 4.05Å; W152-F171 HydrophobicContact CZ2-CE1 4.49Å; W152-L172 HydrophobicContact CE3-CD1 4.05Å; W152-L172 HydrophobicContact CE3-CD2 4.31Å; W152-L172 HydrophobicContact CE3-CG 4.35Å; W152-L172 HydrophobicContact CZ3-CD1 4.38Å; W152-L172 HydrophobicContact CZ3-CD2 3.8Å; W152-L172 HydrophobicContact CZ3-CG 4.28Å
153F87.5Confident74.6Confident71 Ų71103.3 Ų103.331%0.31151%0.514SS..EExtended strand (participates in β ladder)trans-103.4151.5-178.3-57.4-90.3000111.2I149 F150 N151 L162 Q163 L164I149-F153 HydrophobicContact CG1-CE2 4.26Å; I149-F153 VanDerWaalsContact O-CD2 3.25Å; I149-F153 WeakPolarHBondContact O-CD2 3.38Å; I149-F153 VanDerWaalsContact O-CE2 3.31Å; I149-F153 WeakPolarHBondContact O-CE2 3.26Å; F150-F153 PolarHBondContact O-N 3Å; N151-F153 VanDerWaalsContact C-N 3.32Å; F153-L162 HydrophobicContact CB-CD1 3.73Å; F153-L162 HydrophobicContact CB-CD2 4.28Å; F153-L162 HydrophobicContact CB-CG 3.98Å; F153-L162 HydrophobicContact CD1-CD1 4.49Å; F153-L162 HydrophobicContact CD1-CD2 3.58Å; F153-L162 HydrophobicContact CD1-CG 3.81Å; F153-L162 HydrophobicContact CE1-CD2 4.13Å; F153-L162 HydrophobicContact CG-CD1 4.39Å; F153-L162 HydrophobicContact CG-CD2 4.03Å; F153-L162 HydrophobicContact CG-CG 4.2Å; F153-Q163 CarbonylContact C-O 3.25Å; F153-Q163 VanDerWaalsContact CA-O 3.26Å; F153-Q163 WeakPolarHBondContact CA-O 3.41Å; F153-L164 HydrophobicContact CD1-CD2 3.66Å; F153-L164 HydrophobicContact CD1-CG 4.3Å; F153-L164 HydrophobicContact CE1-CD2 3.49Å; F153-L164 VanDerWaalsContact CE1-CD2 3.49Å; F153-L164 HydrophobicContact CE1-CG 4.2Å; F153-L164 HydrophobicContact CG-CD2 4.29Å; F153-L164 HydrophobicContact CZ-CD2 3.96Å
154M86.8Confident77.2Confident108 Ų10898.5 Ų98.553%0.53249%0.488SS..EExtended strand (participates in β ladder)trans-122.5125.4168.1-70.6178.364.100107.3Q163 K165M154-Q163 PolarHBondContact N-O 3.31Å; M154-Q163 PolarHBondContact O-N 3.3Å; M154-K165 HydrophobicContact CG-CD 4.36Å; M154-K165 HydrophobicContact CG-CG 3.56Å; M154-K165 HydrophobicContact SD-CG 3.73Å
155F88.4Confident79.6Confident116 Ų11695.6 Ų95.651%0.50947%0.473SS..EExtended strand (participates in β ladder)trans-92.1121.6171179.7-113.5000108.4P157 N160 L162F155-P157 HydrophobicContact CD1-CG 4.11Å; F155-P157 HydrophobicContact CE1-CB 4.1Å; F155-P157 HydrophobicContact CE1-CG 4.18Å; F155-P157 WeakPolarHBondContact O-CD 3.48Å; F155-N160 WeakPolarHBondContact CE2-OD1 2.87Å; F155-N160 VanDerWaalsContact CZ-OD1 3.29Å; F155-N160 WeakPolarHBondContact CZ-OD1 2.95Å; F155-L162 HydrophobicContact CB-CD1 4.21Å
156N86.1Confident81.6Confident42 Ų4296.3 Ų96.323%0.22547%0.472CS..EExtended strand (participates in β ladder)trans-91.6108169.4-175.7-2.6000108.9Q158 D159 N160 K161N156-Q158 PolarHBondContact O-N 3.45Å; N156-Q158 WeakPolarHBondContact OD1-CB 3.44Å; N156-Q158 PolarHBondContact OD1-N 3.11Å; N156-Q158 VanDerWaalsContact OD1-N 3.08Å; N156-D159 PolarHBondContact ND2-OD2 3.33Å; N156-D159 PolarHBondContact O-N 2.98Å; N156-N160 WeakPolarHBondContact O-CA 3.3Å; N156-N160 PolarHBondContact O-N 3.07Å; N156-K161 PolarHBondContact N-O 2.75Å; N156-K161 PolarHBondContact O-N 2.98Å
157P85Confident83.4Confident100 Ų10099 Ų9965%0.64949%0.486SS*.THydrogen-bonded Turntrans-66.4-25.5-178.5-18.232.3000113.4F155F155-P157 HydrophobicContact CD1-CG 4.11Å; F155-P157 HydrophobicContact CE1-CB 4.1Å; F155-P157 HydrophobicContact CE1-CG 4.18Å; F155-P157 WeakPolarHBondContact O-CD 3.48Å
158Q86.5Confident84.7Confident177 Ų17797.2 Ų97.283%0.82748%0.479SS*.THydrogen-bonded Turntrans-72.1-38.7-177.6-63.6-178.9-15.200111.7N156N156-Q158 PolarHBondContact O-N 3.45Å; N156-Q158 WeakPolarHBondContact OD1-CB 3.44Å; N156-Q158 PolarHBondContact OD1-N 3.11Å; N156-Q158 VanDerWaalsContact OD1-N 3.08Å
159D88.4Confident85.7Confident90 Ų9095.6 Ų95.648%0.48147%0.473SS..THydrogen-bonded Turntrans-97.7-6.3-179.5-66.2-36.5000113.2N156 K161N156-D159 PolarHBondContact ND2-OD2 3.33Å; N156-D159 PolarHBondContact O-N 2.98Å; D159-K161 HydrophobicContact CB-CB 4.1Å; D159-K161 HydrophobicContact CB-CD 3.97Å; D159-K161 HydrophobicContact CB-CG 3.98Å; D159-K161 PolarHBondContact O-N 2.74Å
160N87.8Confident86.1Confident128 Ų12898.5 Ų98.568%0.68449%0.485SS*.THydrogen-bonded Turntrans50.139.3-168.2-164.931.4000112.4F155 N156F155-N160 WeakPolarHBondContact CE2-OD1 2.87Å; F155-N160 VanDerWaalsContact CZ-OD1 3.29Å; F155-N160 WeakPolarHBondContact CZ-OD1 2.95Å; N156-N160 WeakPolarHBondContact O-CA 3.3Å; N156-N160 PolarHBondContact O-N 3.07Å
161K89.3Confident86.4Confident119 Ų11993.9 Ų93.952%0.51747%0.465SS..EExtended strand (participates in β ladder)trans-114134.8-176.8-76.1178.4-173.21720111.1N156 D159N156-K161 PolarHBondContact N-O 2.75Å; N156-K161 PolarHBondContact O-N 2.98Å; D159-K161 HydrophobicContact CB-CB 4.1Å; D159-K161 HydrophobicContact CB-CD 3.97Å; D159-K161 HydrophobicContact CB-CG 3.98Å; D159-K161 PolarHBondContact O-N 2.74Å
162L88.2Confident86.7Confident111 Ų11191 Ų9158%0.58145%0.449SS*.EExtended strand (participates in β ladder)trans-90.4124.7167.1-164.972.5000108.8F153 F155F153-L162 HydrophobicContact CB-CD1 3.73Å; F153-L162 HydrophobicContact CB-CD2 4.28Å; F153-L162 HydrophobicContact CB-CG 3.98Å; F153-L162 HydrophobicContact CD1-CD1 4.49Å; F153-L162 HydrophobicContact CD1-CD2 3.58Å; F153-L162 HydrophobicContact CD1-CG 3.81Å; F153-L162 HydrophobicContact CE1-CD2 4.13Å; F153-L162 HydrophobicContact CG-CD1 4.39Å; F153-L162 HydrophobicContact CG-CD2 4.03Å; F153-L162 HydrophobicContact CG-CG 4.2Å; F155-L162 HydrophobicContact CB-CD1 4.21Å
163Q88.5Confident87Confident105 Ų10592 Ų9249%0.49146%0.459SS..EExtended strand (participates in β ladder)trans-122.1155.7177.9-67.3179.3-24.400109.7F153 M154F153-Q163 CarbonylContact C-O 3.25Å; F153-Q163 VanDerWaalsContact CA-O 3.26Å; F153-Q163 WeakPolarHBondContact CA-O 3.41Å; M154-Q163 PolarHBondContact N-O 3.31Å; M154-Q163 PolarHBondContact O-N 3.3Å
164L87.8Confident87.2Confident57 Ų5791 Ų9130%0.29846%0.461SS..EExtended strand (participates in β ladder)trans-83.6143.6170.7-74.1166.1000109.6W152 F153 L169 L172W152-L164 HydrophobicContact CB-CD2 4.31Å; W152-L164 CarbonylContact O-C 3.6Å; W152-L164 WeakPolarHBondContact O-CA 3.28Å; F153-L164 HydrophobicContact CD1-CD2 3.66Å; F153-L164 HydrophobicContact CD1-CG 4.3Å; F153-L164 HydrophobicContact CE1-CD2 3.49Å; F153-L164 VanDerWaalsContact CE1-CD2 3.49Å; F153-L164 HydrophobicContact CE1-CG 4.2Å; F153-L164 HydrophobicContact CG-CD2 4.29Å; F153-L164 HydrophobicContact CZ-CD2 3.96Å; L164-L169 HydrophobicContact CB-CB 4.29Å; L164-L169 HydrophobicContact CD1-CD1 4.05Å; L164-L172 HydrophobicContact CD1-CD1 3.75Å; L164-L172 HydrophobicContact CD2-CD1 3.77Å; L164-L172 HydrophobicContact CG-CD1 4.42Å
165K85.9Confident87.4Confident84 Ų8486.4 Ų86.437%0.36544%0.439SS..  trans-60.8143.4166.7-70-176.5-177.7165.90109.4N151 W152 M154 N167 S168 L169N151-K165 VanDerWaalsContact O-CD 3.25Å; N151-K165 WeakPolarHBondContact O-CD 3.44Å; N151-K165 WeakPolarHBondContact O-CE 3.19Å; N151-K165 PolarHBondContact O-NZ 2.95Å; W152-K165 PolarHBondContact O-N 3.37Å; M154-K165 HydrophobicContact CG-CD 4.36Å; M154-K165 HydrophobicContact CG-CG 3.56Å; M154-K165 HydrophobicContact SD-CG 3.73Å; K165-N167 VanDerWaalsContact C-N 3.3Å; K165-N167 PolarHBondContact O-N 3.17Å; K165-S168 CarbonylContact O-C 3.47Å; K165-S168 WeakPolarHBondContact O-CA 3.35Å; K165-S168 WeakPolarHBondContact O-CB 2.91Å; K165-S168 PolarHBondContact O-N 3.01Å; K165-L169 PolarHBondContact O-N 3.36Å
166E84.1Confident87.6Confident142 Ų14286.9 Ų86.966%0.66444%0.441SS*.Hα-helixtrans-51.4-46.8-177-165.863.3-157.800112.8S168 L169 Q170E166-S168 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 3.14Å; E166-L169 WeakPolarHBondContact O-CB 3.37Å; E166-L169 PolarHBondContact O-N 3.31Å; E166-Q170 PolarHBondContact O-N 3.41Å; E166-Q170 VanDerWaalsContact O-N 3.08Å
167N82Confident88Confident144 Ų14490.2 Ų90.277%0.7746%0.459SS*.Hα-helixtrans-61.1-38.9177.4-66.4-12.8000112.6K165 F171K165-N167 VanDerWaalsContact C-N 3.3Å; K165-N167 PolarHBondContact O-N 3.17Å; N167-F171 PolarHBondContact O-N 3.43Å
168S84.8Confident88.4Confident14 Ų1487.5 Ų87.510%0.09844%0.437CS..Hα-helixtrans-72.8-34.5177.5-61.40000111.7W152 K165 E166 F171 L172W152-S168 WeakPolarHBondContact CA-OG 3.49Å; W152-S168 WeakPolarHBondContact CB-OG 3.35Å; K165-S168 CarbonylContact O-C 3.47Å; K165-S168 WeakPolarHBondContact O-CA 3.35Å; K165-S168 WeakPolarHBondContact O-CB 2.91Å; K165-S168 PolarHBondContact O-N 3.01Å; E166-S168 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 3.14Å; S168-F171 PolarHBondContact O-N 3.05Å; S168-L172 VanDerWaalsContact O-CB 3.29Å; S168-L172 WeakPolarHBondContact O-CB 3.28Å; S168-L172 WeakPolarHBondContact O-CG 3.14Å; S168-L172 PolarHBondContact O-N 3.27Å
169L87.2Confident88.7Confident73 Ų7384.9 Ų84.938%0.38242%0.421SS..Hα-helixtrans-62.7-48.1176.3-178.266.3000110.9L164 K165 E166 F171 L172 S173L164-L169 HydrophobicContact CB-CB 4.29Å; L164-L169 HydrophobicContact CD1-CD1 4.05Å; K165-L169 PolarHBondContact O-N 3.36Å; E166-L169 WeakPolarHBondContact O-CB 3.37Å; E166-L169 PolarHBondContact O-N 3.31Å; L169-F171 VanDerWaalsContact C-N 3.34Å; L169-F171 PolarHBondContact O-N 2.86Å; L169-L172 PolarHBondContact O-N 2.96Å; L169-S173 WeakPolarHBondContact O-CB 3.08Å; L169-S173 PolarHBondContact O-N 2.82Å; L169-S173 PolarHBondContact O-OG 3.44Å
170Q86.8Confident89Confident139 Ų13985.8 Ų85.865%0.6543%0.43SS*.Hα-helixtrans-61.4-44.2178.9-176.162.513.900111.6E166 S174E166-Q170 PolarHBondContact O-N 3.41Å; E166-Q170 VanDerWaalsContact O-N 3.08Å; Q170-S174 PolarHBondContact O-N 2.92Å
171F86.7Confident89.4Confident54 Ų5485.5 Ų85.524%0.23743%0.425CS..Hα-helixtrans-61.6-53.4177176.5-108.7000111.8R103 Q107 W152 N167 S168 L169 S173 S174 I175R103-F171 HydrophobicContact CB-CZ 4.14Å; Q107-F171 HydrophobicContact CG-CZ 4.42Å; W152-F171 HydrophobicContact CH2-CD1 4.45Å; W152-F171 HydrophobicContact CH2-CE1 4.05Å; W152-F171 HydrophobicContact CZ2-CE1 4.49Å; N167-F171 PolarHBondContact O-N 3.43Å; S168-F171 PolarHBondContact O-N 3.05Å; L169-F171 VanDerWaalsContact C-N 3.34Å; L169-F171 PolarHBondContact O-N 2.86Å; F171-S173 VanDerWaalsContact C-N 3.34Å; F171-S173 PolarHBondContact O-N 2.83Å; F171-S174 PolarHBondContact O-N 3.43Å; F171-S174 PolarHBondContact O-OG 2.97Å; F171-I175 HydrophobicContact CD1-CD1 4.12Å; F171-I175 HydrophobicContact CE1-CD1 3.58Å; F171-I175 HydrophobicContact CE2-CD1 4.22Å; F171-I175 HydrophobicContact CZ-CD1 3.65Å; F171-I175 PolarHBondContact O-N 2.68Å
172L89Confident89.7Confident17 Ų1781.8 Ų81.89%0.08941%0.408CS..Hα-helixtrans-62.9-40.3-179.6-75.9174.3000112.1V104 W152 L164 S168 L169 S174 I175 F176V104-L172 HydrophobicContact CG2-CD2 4.05Å; W152-L172 HydrophobicContact CE3-CD1 4.05Å; W152-L172 HydrophobicContact CE3-CD2 4.31Å; W152-L172 HydrophobicContact CE3-CG 4.35Å; W152-L172 HydrophobicContact CZ3-CD1 4.38Å; W152-L172 HydrophobicContact CZ3-CD2 3.8Å; W152-L172 HydrophobicContact CZ3-CG 4.28Å; L164-L172 HydrophobicContact CD1-CD1 3.75Å; L164-L172 HydrophobicContact CD2-CD1 3.77Å; L164-L172 HydrophobicContact CG-CD1 4.42Å; S168-L172 VanDerWaalsContact O-CB 3.29Å; S168-L172 WeakPolarHBondContact O-CB 3.28Å; S168-L172 WeakPolarHBondContact O-CG 3.14Å; S168-L172 PolarHBondContact O-N 3.27Å; L169-L172 PolarHBondContact O-N 2.96Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.83Å; L172-I175 WeakPolarHBondContact O-CB 3.38Å; L172-I175 PolarHBondContact O-N 2.79Å; L172-F176 HydrophobicContact CB-CD2 4.17Å; L172-F176 HydrophobicContact CB-CE2 4.31Å; L172-F176 HydrophobicContact CD2-CE2 4.28Å; L172-F176 VanDerWaalsContact O-CD2 3.27Å; L172-F176 WeakPolarHBondContact O-CD2 3.34Å; L172-F176 PolarHBondContact O-N 2.8Å
173S91.4Very high90Very high41 Ų4177.1 Ų77.129%0.28739%0.388SS..Hα-helixtrans-57.5-40.7178.7-62.80000111.4L169 F171 I175 F176 N177L169-S173 WeakPolarHBondContact O-CB 3.08Å; L169-S173 PolarHBondContact O-N 2.82Å; L169-S173 PolarHBondContact O-OG 3.44Å; F171-S173 VanDerWaalsContact C-N 3.34Å; F171-S173 PolarHBondContact O-N 2.83Å; S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 2.83Å; S173-F176 PolarHBondContact O-N 3.4Å; S173-N177 VanDerWaalsContact O-CB 3.29Å; S173-N177 WeakPolarHBondContact O-CB 3.48Å; S173-N177 PolarHBondContact O-N 3.43Å; S173-N177 PolarHBondContact O-ND2 2.97Å
174S89.8Confident90.3Very high50 Ų5076.1 Ų76.135%0.3538%0.383SS..Hα-helixtrans-60.3-41.4175.375.60000112.2Q170 F171 L172 E178Q170-S174 PolarHBondContact O-N 2.92Å; F171-S174 PolarHBondContact O-N 3.43Å; F171-S174 PolarHBondContact O-OG 2.97Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.83Å; S174-E178 WeakPolarHBondContact O-CG 3.34Å; S174-E178 PolarHBondContact O-N 2.85Å
175I92.1Very high90.7Very high11 Ų1175 Ų756%0.05638%0.375CS..Hα-helixtrans-69.6-47.1179.9-56.8176.4000110.9F100 R103 V104 F171 L172 S173 E178 Y179F100-I175 HydrophobicContact CB-CG2 4Å; R103-I175 HydrophobicContact CB-CD1 3.78Å; R103-I175 HydrophobicContact CB-CG1 4.46Å; V104-I175 HydrophobicContact CG2-CD1 3.78Å; F171-I175 HydrophobicContact CD1-CD1 4.12Å; F171-I175 HydrophobicContact CE1-CD1 3.58Å; F171-I175 HydrophobicContact CE2-CD1 4.22Å; F171-I175 HydrophobicContact CZ-CD1 3.65Å; F171-I175 PolarHBondContact O-N 2.68Å; L172-I175 WeakPolarHBondContact O-CB 3.38Å; L172-I175 PolarHBondContact O-N 2.79Å; S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 2.83Å; I175-E178 PolarHBondContact O-N 2.83Å; I175-Y179 PolarHBondContact O-N 2.94Å
176F92Very high91.3Very high126 Ų12672 Ų7255%0.55336%0.363SS*.Hα-helixtrans-64.9-38.5179.9-84.9-74.7000112.2L172 S173 E178 Y179 T180L172-F176 HydrophobicContact CB-CD2 4.17Å; L172-F176 HydrophobicContact CB-CE2 4.31Å; L172-F176 HydrophobicContact CD2-CE2 4.28Å; L172-F176 VanDerWaalsContact O-CD2 3.27Å; L172-F176 WeakPolarHBondContact O-CD2 3.34Å; L172-F176 PolarHBondContact O-N 2.8Å; S173-F176 PolarHBondContact O-N 3.4Å; F176-E178 VanDerWaalsContact C-N 3.34Å; F176-E178 PolarHBondContact O-N 3.04Å; F176-Y179 PolarHBondContact O-N 3.33Å; F176-T180 VanDerWaalsContact O-CB 3.24Å; F176-T180 WeakPolarHBondContact O-CB 3.46Å; F176-T180 PolarHBondContact O-N 3.29Å; F176-T180 PolarHBondContact O-OG1 2.69Å
177N94.3Very high91.9Very high112 Ų11265.8 Ų65.860%0.59933%0.334SS*.Hα-helixtrans-60.8-45.6176.6-74.8-19.3000111.1S173 T180 M181S173-N177 VanDerWaalsContact O-CB 3.29Å; S173-N177 WeakPolarHBondContact O-CB 3.48Å; S173-N177 PolarHBondContact O-N 3.43Å; S173-N177 PolarHBondContact O-ND2 2.97Å; N177-T180 PolarHBondContact O-N 3.19Å; N177-M181 WeakPolarHBondContact O-CB 3.26Å; N177-M181 PolarHBondContact O-N 2.83Å
178E93.5Very high92.7Very high44 Ų4461.6 Ų61.621%0.20631%0.313CS..Hα-helixtrans-66.6-45.3177.3-67.4-172.2-91.400112.2R83 F100 R103 S174 I175 F176 T180 M181 Y182R83-E178 IonicContact CZ-OE2 3.64Å; R83-E178 VanDerWaalsContact CZ-OE2 3.29Å; R83-E178 IonicContact NE-OE2 2.8Å; R83-E178 PolarHBondContact NE-OE2 2.85Å; R83-E178 VanDerWaalsContact NE-OE2 3.16Å; R83-E178 IonicContact NH2-OE1 3.4Å; R83-E178 IonicContact NH2-OE2 2.83Å; R83-E178 PolarHBondContact NH2-OE2 3.12Å; F100-E178 HydrophobicContact CD1-CB 3.92Å; F100-E178 HydrophobicContact CE1-CB 3.79Å; R103-E178 IonicContact CZ-OE1 3.24Å; R103-E178 IonicContact NH1-OE1 2.64Å; R103-E178 PolarHBondContact NH1-OE1 2.85Å; R103-E178 IonicContact NH2-OE1 3.29Å; R103-E178 PolarHBondContact NH2-OE1 3.32Å; S174-E178 WeakPolarHBondContact O-CG 3.34Å; S174-E178 PolarHBondContact O-N 2.85Å; I175-E178 PolarHBondContact O-N 2.83Å; F176-E178 VanDerWaalsContact C-N 3.34Å; F176-E178 PolarHBondContact O-N 3.04Å; E178-T180 VanDerWaalsContact C-N 3.3Å; E178-T180 PolarHBondContact O-N 3.43Å; E178-M181 PolarHBondContact O-N 2.93Å; E178-Y182 WeakPolarHBondContact O-CD2 3.19Å; E178-Y182 PolarHBondContact O-N 3.4Å
179Y94.1Very high93.2Very high122 Ų12261.6 Ų61.648%0.47831%0.312SS..Hα-helixtrans-62.2-39.2176.6-177.8-95.1000111.9F100 I175 F176 M181 Y182 G183F100-Y179 AromaticContact CD2-CD2 3.84Å; F100-Y179 HydrophobicContact CD2-CD2 3.84Å; F100-Y179 HydrophobicContact CE2-CD2 4.44Å; I175-Y179 PolarHBondContact O-N 2.94Å; F176-Y179 PolarHBondContact O-N 3.33Å; Y179-M181 VanDerWaalsContact C-N 3.31Å; Y179-M181 PolarHBondContact O-N 3.41Å; Y179-Y182 PolarHBondContact O-N 2.95Å; Y179-G183 WeakPolarHBondContact O-CA 3.31Å; Y179-G183 PolarHBondContact O-N 3.48Å
180T94.8Very high93.6Very high109 Ų10962.7 Ų62.767%0.66932%0.318SS*.Hα-helixtrans-64.8-38.6177.1-56.90000111F176 N177 E178F176-T180 VanDerWaalsContact O-CB 3.24Å; F176-T180 WeakPolarHBondContact O-CB 3.46Å; F176-T180 PolarHBondContact O-N 3.29Å; F176-T180 PolarHBondContact O-OG1 2.69Å; N177-T180 PolarHBondContact O-N 3.19Å; E178-T180 VanDerWaalsContact C-N 3.3Å; E178-T180 PolarHBondContact O-N 3.43Å
181M94.5Very high94.1Very high121 Ų12156.4 Ų56.460%0.59629%0.289SS*.Hα-helixtrans-68.1-41.6178.6-172.8174.9-174.700112.7N177 E178 Y179N177-M181 WeakPolarHBondContact O-CB 3.26Å; N177-M181 PolarHBondContact O-N 2.83Å; E178-M181 PolarHBondContact O-N 2.93Å; Y179-M181 VanDerWaalsContact C-N 3.31Å; Y179-M181 PolarHBondContact O-N 3.41Å
182Y95.9Very high94.4Very high41 Ų4157.2 Ų57.216%0.16129%0.294CS..Hα-helixtrans-108.8-17-170.2-62.5-67.3000115.2L82 R83 F100 E178 Y179 Q184 Y185L82-Y182 HydrophobicContact CB-CD1 4.03Å; L82-Y182 HydrophobicContact CB-CG 4.05Å; R83-Y182 HydrophobicContact CG-CE1 4.49Å; R83-Y182 HydrophobicContact CG-CE2 3.93Å; F100-Y182 HydrophobicContact CE1-CD2 4.38Å; F100-Y182 HydrophobicContact CZ-CD2 4.01Å; F100-Y182 HydrophobicContact CZ-CG 4.38Å; E178-Y182 WeakPolarHBondContact O-CD2 3.19Å; E178-Y182 PolarHBondContact O-N 3.4Å; Y179-Y182 PolarHBondContact O-N 2.95Å; Y182-Q184 PolarHBondContact O-N 3.34Å; Y182-Q184 VanDerWaalsContact O-N 3.1Å; Y182-Y185 WeakPolarHBondContact O-CA 3.41Å; Y182-Y185 PolarHBondContact O-N 2.9Å
183G94.2Very high94.7Very high14 Ų1456.4 Ų56.414%0.14429%0.289CS..G310 helixtrans-59.6-29.4-168.400000114Y179 Y185 L186Y179-G183 WeakPolarHBondContact O-CA 3.31Å; Y179-G183 PolarHBondContact O-N 3.48Å; G183-Y185 PolarHBondContact O-N 2.85Å; G183-L186 PolarHBondContact O-N 3.37Å; G183-L186 VanDerWaalsContact O-N 3.12Å
184Q95Very high94.9Very high83 Ų8354.5 Ų54.539%0.38828%0.276SS..G310 helixtrans-67.4-2017568.4175.210.100114.3W32 Y182W32-Q184 PolarHBondContact NE1-O 2.97Å; Y182-Q184 PolarHBondContact O-N 3.34Å; Y182-Q184 VanDerWaalsContact O-N 3.1Å
185Y97Very high95.1Very high33 Ų3352.3 Ų52.313%0.12926%0.26CS..G310 helixtrans-99.59.8176.1-48.6-68000112.2W32 I36 H39 I42 L82 A87 V88 Y182 G183W32-Y185 WeakPolarHBondContact CZ2-O 3.07Å; I36-Y185 HydrophobicContact CG2-CD1 4.18Å; H39-Y185 PolarHBondContact CD2-OH 3.1Å; H39-Y185 PolarHBondContact NE2-OH 3.33Å; H39-Y185 VanDerWaalsContact NE2-OH 3.1Å; I42-Y185 HydrophobicContact CD1-CD1 4.33Å; I42-Y185 HydrophobicContact CD1-CE1 4.34Å; I42-Y185 HydrophobicContact CG1-CD1 4.11Å; I42-Y185 HydrophobicContact CG1-CE1 3.85Å; L82-Y185 WeakPolarHBondContact CD2-O 3.48Å; A87-Y185 CarbonylContact C-O 3.53Å; A87-Y185 WeakPolarHBondContact CA-O 3.16Å; V88-Y185 PolarHBondContact N-O 3.44Å; Y182-Y185 WeakPolarHBondContact O-CA 3.41Å; Y182-Y185 PolarHBondContact O-N 2.9Å; G183-Y185 PolarHBondContact O-N 2.85Å
186L97.9Very high95.1Very high22 Ų2252.8 Ų52.812%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-114121.8176.8178.662.1000109.5L82 V88 P99 G183 T188L82-L186 HydrophobicContact CD1-CB 4.25Å; L82-L186 HydrophobicContact CD1-CD1 4.46Å; L82-L186 HydrophobicContact CD1-CD2 4.46Å; L82-L186 HydrophobicContact CD2-CB 4.33Å; V88-L186 HydrophobicContact CB-CD1 4.06Å; V88-L186 HydrophobicContact CG1-CD1 3.96Å; V88-L186 WeakPolarHBondContact O-CA 3.28Å; P99-L186 HydrophobicContact CB-CD2 4.16Å; P99-L186 HydrophobicContact CG-CD1 4.33Å; P99-L186 HydrophobicContact CG-CD2 4.16Å; G183-L186 PolarHBondContact O-N 3.37Å; G183-L186 VanDerWaalsContact O-N 3.12Å; L186-T188 HydrophobicContact CG-CG2 4.27Å
187F97.9Very high95.3Very high12 Ų1247.1 Ų47.15%0.05324%0.238CC..EExtended strand (participates in β ladder)trans-116128171.7-173.2-94.1000109.6M25 R28 L29 W32 V88 L89 Y90 L189M25-F187 HydrophobicContact CE-CZ 4.36Å; R28-F187 HydrophobicContact CB-CE2 4.05Å; R28-F187 HydrophobicContact CB-CZ 4.23Å; L29-F187 HydrophobicContact CB-CE1 4.24Å; L29-F187 HydrophobicContact CB-CE2 4.47Å; L29-F187 HydrophobicContact CB-CZ 3.86Å; L29-F187 HydrophobicContact CD1-CD1 3.98Å; L29-F187 HydrophobicContact CD1-CE1 3.76Å; L29-F187 HydrophobicContact CD1-CG 4.48Å; L29-F187 HydrophobicContact CD1-CZ 4.11Å; W32-F187 HydrophobicContact CB-CD2 3.78Å; W32-F187 HydrophobicContact CB-CE2 4.22Å; W32-F187 HydrophobicContact CD2-CB 3.53Å; W32-F187 HydrophobicContact CD2-CD2 4Å; W32-F187 HydrophobicContact CD2-CG 4.04Å; W32-F187 HydrophobicContact CE3-CB 3.7Å; W32-F187 HydrophobicContact CE3-CD2 4.28Å; W32-F187 HydrophobicContact CE3-CG 4.05Å; W32-F187 HydrophobicContact CG-CB 4.06Å; W32-F187 AromaticContact CG-CD2 3.76Å; W32-F187 HydrophobicContact CG-CD2 3.76Å; W32-F187 HydrophobicContact CG-CG 4.28Å; W32-F187 HydrophobicContact CH2-CB 3.94Å; W32-F187 HydrophobicContact CZ2-CB 3.77Å; W32-F187 HydrophobicContact CZ3-CB 3.92Å; V88-F187 PolarHBondContact O-N 3.22Å; L89-F187 CarbonylContact C-O 3.44Å; L89-F187 WeakPolarHBondContact CA-O 3.4Å; L89-F187 HydrophobicContact CD1-CD1 4.43Å; L89-F187 HydrophobicContact CG-CD1 4.13Å; Y90-F187 PolarHBondContact N-O 3.4Å; F187-L189 HydrophobicContact CD1-CD1 4.39Å; F187-L189 HydrophobicContact CD1-CD2 4.43Å; F187-L189 HydrophobicContact CD1-CG 3.97Å; F187-L189 HydrophobicContact CE1-CD1 3.89Å; F187-L189 HydrophobicContact CE1-CD2 3.55Å; F187-L189 HydrophobicContact CE1-CG 3.51Å; F187-L189 HydrophobicContact CZ-CD2 4.18Å
188T97.3Very high95.4Very high55 Ų5542 Ų4234%0.33721%0.21SC..EExtended strand (participates in β ladder)trans-109.5140.4-17857.50000111.7Y90 L186Y90-T188 HydrophobicContact CD1-CG2 4.47Å; Y90-T188 WeakPolarHBondContact O-CA 3.46Å; L186-T188 HydrophobicContact CG-CG2 4.27Å
189L96.5Very high95.4Very high15 Ų1540.2 Ų40.28%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-135.3133.4172.5-70.5177.5000108.4M25 L89 Y90 F91 H92 F187 W203 I204M25-L189 HydrophobicContact CE-CD2 2.99Å; M25-L189 HydrophobicContact CE-CG 4.48Å; L89-L189 HydrophobicContact CD2-CD1 4.15Å; Y90-L189 PolarHBondContact O-N 3.39Å; F91-L189 CarbonylContact C-O 3.38Å; F91-L189 VanDerWaalsContact CA-O 3.31Å; F91-L189 WeakPolarHBondContact CA-O 3.5Å; F91-L189 HydrophobicContact CD2-CB 3.71Å; F91-L189 HydrophobicContact CE2-CB 4.4Å; H92-L189 PolarHBondContact CD2-O 2.94Å; H92-L189 VanDerWaalsContact CD2-O 3.27Å; H92-L189 PolarHBondContact N-O 3.35Å; F187-L189 HydrophobicContact CD1-CD1 4.39Å; F187-L189 HydrophobicContact CD1-CD2 4.43Å; F187-L189 HydrophobicContact CD1-CG 3.97Å; F187-L189 HydrophobicContact CE1-CD1 3.89Å; F187-L189 HydrophobicContact CE1-CD2 3.55Å; F187-L189 HydrophobicContact CE1-CG 3.51Å; F187-L189 HydrophobicContact CZ-CD2 4.18Å; L189-W203 HydrophobicContact CD1-CZ3 3.79Å; L189-I204 HydrophobicContact CD1-CD1 3.69Å; L189-I204 HydrophobicContact CD1-CG1 3.73Å
190D95.7Very high95.4Very high96 Ų9635 Ų3551%0.51319%0.185SC..EExtended strand (participates in β ladder)trans-99.2150.717761.8-23.6000112.9H92 K94H92-D190 CarbonylContact O-C 3.48Å; H92-D190 WeakPolarHBondContact O-CA 3.29Å; K94-D190 HydrophobicContact CB-CB 4.35Å
191F95.9Very high95.5Very high6 Ų629.9 Ų29.93%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-134.3168.4164.864.6-96.4000109.1S50 T53 F91 H92 R93 K94 D196 Y197 A230S50-F191 VanDerWaalsContact O-CZ 3.29Å; S50-F191 WeakPolarHBondContact O-CZ 3.44Å; T53-F191 HydrophobicContact CG2-CD2 4.2Å; T53-F191 HydrophobicContact CG2-CE2 3.7Å; T53-F191 HydrophobicContact CG2-CZ 4.5Å; F91-F191 HydrophobicContact CD1-CD1 4.08Å; F91-F191 HydrophobicContact CD1-CE1 4.34Å; F91-F191 AromaticContact CD2-CD1 3.7Å; F91-F191 HydrophobicContact CD2-CD1 3.7Å; F91-F191 HydrophobicContact CD2-CE1 4.47Å; F91-F191 AromaticContact CE1-CD1 3.89Å; F91-F191 HydrophobicContact CE1-CD1 3.89Å; F91-F191 HydrophobicContact CE1-CE1 4.43Å; F91-F191 HydrophobicContact CE2-CB 3.71Å; F91-F191 AromaticContact CE2-CD1 3.52Å; F91-F191 HydrophobicContact CE2-CD1 3.52Å; F91-F191 HydrophobicContact CE2-CG 4.07Å; F91-F191 AromaticContact CG-CD1 3.99Å; F91-F191 HydrophobicContact CG-CD1 3.99Å; F91-F191 HydrophobicContact CG-CE1 4.35Å; F91-F191 HydrophobicContact CZ-CB 3.76Å; F91-F191 AromaticContact CZ-CD1 3.61Å; F91-F191 HydrophobicContact CZ-CD1 3.61Å; F91-F191 HydrophobicContact CZ-CG 4.02Å; F91-F191 WeakPolarHBondContact O-CE1 3.24Å; H92-F191 VanDerWaalsContact C-CD1 3.4Å; H92-F191 VanDerWaalsContact CA-CE1 3.49Å; H92-F191 WeakPolarHBondContact O-CD1 3.34Å; H92-F191 PolarHBondContact O-N 3.02Å; R93-F191 CarbonylContact C-O 3.6Å; R93-F191 VanDerWaalsContact CA-O 3.25Å; R93-F191 WeakPolarHBondContact CA-O 3.48Å; R93-F191 HydrophobicContact CB-CD2 4.45Å; R93-F191 HydrophobicContact CB-CE2 3.9Å; R93-F191 HydrophobicContact CB-CZ 4.13Å; R93-F191 HydrophobicContact CG-CE2 4.49Å; K94-F191 PolarHBondContact N-O 3.32Å; F191-D196 HydrophobicContact CB-CB 3.88Å; F191-Y197 HydrophobicContact CD1-CD2 4.06Å; F191-Y197 HydrophobicContact CD2-CD2 4.29Å; F191-Y197 AromaticContact CE1-CD2 3.75Å; F191-Y197 HydrophobicContact CE1-CD2 3.75Å; F191-Y197 HydrophobicContact CE1-CE2 4.27Å; F191-Y197 HydrophobicContact CE2-CD2 4.03Å; F191-Y197 HydrophobicContact CG-CD2 4.31Å; F191-Y197 AromaticContact CZ-CD2 3.75Å; F191-Y197 HydrophobicContact CZ-CD2 3.75Å; F191-Y197 HydrophobicContact CZ-CE2 4.31Å; F191-A230 HydrophobicContact CZ-CB 4.22Å
192E94.2Very high95.5Very high72 Ų7224.5 Ų24.534%0.33613%0.127SC..  trans-134.5-55.6173.1-171.1166.7-153.800110.3I54I54-E192 HydrophobicContact CD1-CG 3.65Å; I54-E192 HydrophobicContact CG1-CG 4.19Å; I54-E192 WeakPolarHBondContact CG1-O 3.44Å; I54-E192 PolarHBondContact N-O 3.02Å
193T95.1Very high95.4Very high0 Ų024 Ų240%013%0.125CC..BIsolated β-bridgetrans-86163.9-178.568.10000113.1I54 P56 E195 D196 Y197I54-T193 HydrophobicContact CD1-CG2 4.36Å; I54-T193 HydrophobicContact CG1-CG2 3.98Å; I54-T193 CarbonylContact O-C 3.56Å; I54-T193 VanDerWaalsContact O-CA 3.27Å; I54-T193 WeakPolarHBondContact O-CA 3.49Å; P56-T193 HydrophobicContact CG-CG2 3.61Å; T193-E195 WeakPolarHBondContact CB-OE2 3.12Å; T193-E195 PolarHBondContact O-N 2.66Å; T193-E195 PolarHBondContact OG1-OE2 3.27Å; T193-D196 WeakPolarHBondContact CB-OD2 3.24Å; T193-D196 PolarHBondContact N-OD2 3.49Å; T193-D196 PolarHBondContact O-N 3.1Å; T193-D196 PolarHBondContact OG1-N 2.98Å; T193-D196 VanDerWaalsContact OG1-N 3.14Å; T193-D196 PolarHBondContact OG1-OD1 3.23Å; T193-D196 PolarHBondContact OG1-OD2 2.79Å; T193-Y197 PolarHBondContact O-N 2.89Å
194I95Very high95.6Very high1 Ų123.3 Ų23.31%0.00512%0.118CC..Hα-helixtrans-60.2-34.9170.7-176.958000111.6T53 I54 V55 Y197 L198 V232 V284T53-I194 HydrophobicContact CG2-CD1 4.18Å; I54-I194 PolarHBondContact O-N 2.72Å; V55-I194 HydrophobicContact CG2-CG2 4.13Å; I194-Y197 HydrophobicContact CD1-CD1 4.33Å; I194-Y197 PolarHBondContact O-N 3.46Å; I194-L198 HydrophobicContact CD1-CD1 4.17Å; I194-L198 HydrophobicContact CD1-CD2 4.45Å; I194-L198 HydrophobicContact CD1-CG 4.07Å; I194-L198 HydrophobicContact CG1-CD1 3.99Å; I194-L198 HydrophobicContact CG1-CG 4.34Å; I194-L198 VanDerWaalsContact O-CG 3.23Å; I194-L198 WeakPolarHBondContact O-CG 3.21Å; I194-L198 PolarHBondContact O-N 3.42Å; I194-V232 HydrophobicContact CD1-CG1 3.33Å; I194-V284 HydrophobicContact CD1-CG1 4.36Å; I194-V284 HydrophobicContact CG1-CG1 4.42Å; I194-V284 HydrophobicContact CG1-CG2 4.08Å
195E93.7Very high95.6Very high4 Ų419.4 Ų19.42%0.01910%0.1CC..Hα-helixtrans-64.8-48.7175.8-6574.6-16200111.6L11 N15 T193 Y197 L198 I199 R242L11-E195 HydrophobicContact CD1-CG 4.3Å; L11-E195 HydrophobicContact CD2-CG 3.99Å; N15-E195 VanDerWaalsContact ND2-CB 3.34Å; N15-E195 WeakPolarHBondContact ND2-CB 3.45Å; T193-E195 WeakPolarHBondContact CB-OE2 3.12Å; T193-E195 PolarHBondContact O-N 2.66Å; T193-E195 PolarHBondContact OG1-OE2 3.27Å; E195-Y197 PolarHBondContact O-N 3.28Å; E195-L198 PolarHBondContact O-N 2.92Å; E195-I199 WeakPolarHBondContact O-CB 3.25Å; E195-I199 WeakPolarHBondContact O-CG1 3.16Å; E195-I199 PolarHBondContact O-N 3.47Å; E195-R242 IonicContact OE1-CZ 3.16Å; E195-R242 IonicContact OE1-NH2 3.92Å; E195-R242 PolarHBondContact OE1-NH2 2.74Å; E195-R242 IonicContact OE2-NH2 3.97Å
196D93.7Very high95.5Very high20 Ų2022.4 Ų22.411%0.10711%0.113CC..Hα-helixtrans-56.9-42.3177.5-56.8-41000110.5H19 F191 T193 G200H19-D196 IonicContact CE1-OD1 3.21Å; F191-D196 HydrophobicContact CB-CB 3.88Å; T193-D196 WeakPolarHBondContact CB-OD2 3.24Å; T193-D196 PolarHBondContact N-OD2 3.49Å; T193-D196 PolarHBondContact O-N 3.1Å; T193-D196 PolarHBondContact OG1-N 2.98Å; T193-D196 VanDerWaalsContact OG1-N 3.14Å; T193-D196 PolarHBondContact OG1-OD1 3.23Å; T193-D196 PolarHBondContact OG1-OD2 2.79Å; D196-G200 WeakPolarHBondContact O-CA 3.44Å; D196-G200 PolarHBondContact O-N 2.69Å
197Y96.3Very high95.4Very high8 Ų822.9 Ų22.93%0.03112%0.115CC..Hα-helixtrans-61-49177177.3-94000112.3T49 T53 F91 F191 T193 I194 E195 L201 A230 V232T49-Y197 HydrophobicContact CG2-CE2 3.89Å; T49-Y197 PolarHBondContact OG1-OH 3.2Å; T53-Y197 HydrophobicContact CG2-CD1 4.37Å; T53-Y197 HydrophobicContact CG2-CD2 4.11Å; T53-Y197 HydrophobicContact CG2-CG 3.78Å; F91-Y197 HydrophobicContact CD1-CD2 4.37Å; F91-Y197 HydrophobicContact CD1-CE2 4.44Å; F91-Y197 AromaticContact CE1-CD2 3.84Å; F91-Y197 HydrophobicContact CE1-CD2 3.84Å; F91-Y197 HydrophobicContact CE1-CE2 4.27Å; F91-Y197 HydrophobicContact CE1-CG 4.45Å; F91-Y197 WeakPolarHBondContact CE1-O 3.46Å; F191-Y197 HydrophobicContact CD1-CD2 4.06Å; F191-Y197 HydrophobicContact CD2-CD2 4.29Å; F191-Y197 AromaticContact CE1-CD2 3.75Å; F191-Y197 HydrophobicContact CE1-CD2 3.75Å; F191-Y197 HydrophobicContact CE1-CE2 4.27Å; F191-Y197 HydrophobicContact CE2-CD2 4.03Å; F191-Y197 HydrophobicContact CG-CD2 4.31Å; F191-Y197 AromaticContact CZ-CD2 3.75Å; F191-Y197 HydrophobicContact CZ-CD2 3.75Å; F191-Y197 HydrophobicContact CZ-CE2 4.31Å; T193-Y197 PolarHBondContact O-N 2.89Å; I194-Y197 HydrophobicContact CD1-CD1 4.33Å; I194-Y197 PolarHBondContact O-N 3.46Å; E195-Y197 PolarHBondContact O-N 3.28Å; Y197-L201 HydrophobicContact CE1-CD2 4Å; Y197-L201 WeakPolarHBondContact O-CB 3.39Å; Y197-L201 PolarHBondContact O-N 3.37Å; Y197-A230 HydrophobicContact CD2-CB 4.48Å; Y197-A230 HydrophobicContact CE2-CB 3.73Å; Y197-V232 HydrophobicContact CD1-CG1 4.04Å; Y197-V232 HydrophobicContact CD1-CG2 4.11Å; Y197-V232 HydrophobicContact CE1-CB 4.37Å; Y197-V232 HydrophobicContact CE1-CG1 3.92Å; Y197-V232 HydrophobicContact CE1-CG2 3.43Å; Y197-V232 VanDerWaalsContact CE1-CG2 3.43Å; Y197-V232 HydrophobicContact CE2-CG2 4.14Å; Y197-V232 VanDerWaalsContact CZ-CG2 3.44Å
198L95.4Very high95.2Very high3 Ų322.4 Ų22.42%0.01611%0.113CC..Hα-helixtrans-69.5-43.3-176-66.2171.9000112W7 L8 I194 E195 R202 V284 V287W7-L198 HydrophobicContact CH2-CD1 3.68Å; W7-L198 HydrophobicContact CZ3-CD1 3.85Å; L8-L198 HydrophobicContact CD2-CB 3.82Å; I194-L198 HydrophobicContact CD1-CD1 4.17Å; I194-L198 HydrophobicContact CD1-CD2 4.45Å; I194-L198 HydrophobicContact CD1-CG 4.07Å; I194-L198 HydrophobicContact CG1-CD1 3.99Å; I194-L198 HydrophobicContact CG1-CG 4.34Å; I194-L198 VanDerWaalsContact O-CG 3.23Å; I194-L198 WeakPolarHBondContact O-CG 3.21Å; I194-L198 PolarHBondContact O-N 3.42Å; E195-L198 PolarHBondContact O-N 2.92Å; L198-R202 WeakPolarHBondContact O-CB 3.49Å; L198-R202 PolarHBondContact O-N 2.86Å; L198-R202 VanDerWaalsContact O-N 3.12Å; L198-V284 HydrophobicContact CD1-CG1 4.04Å; L198-V287 HydrophobicContact CD2-CG1 3.84Å; L198-V287 HydrophobicContact CD2-CG2 3.91Å
199I93.4Very high95.1Very high7 Ų720.9 Ų20.94%0.03610%0.102CC..Hα-helixtrans-64.6-49.1176.4-65162.1000109.7L11 E12 N15 E195 R202 W203L11-I199 HydrophobicContact CB-CD1 4.15Å; L11-I199 HydrophobicContact CB-CG1 4.46Å; E12-I199 HydrophobicContact CB-CD1 4.34Å; E12-I199 HydrophobicContact CB-CG1 4.42Å; E12-I199 HydrophobicContact CB-CG2 4.41Å; E12-I199 HydrophobicContact CG-CG2 4.18Å; N15-I199 HydrophobicContact CB-CD1 4.29Å; E195-I199 WeakPolarHBondContact O-CB 3.25Å; E195-I199 WeakPolarHBondContact O-CG1 3.16Å; E195-I199 PolarHBondContact O-N 3.47Å; I199-R202 PolarHBondContact O-N 2.88Å; I199-W203 WeakPolarHBondContact O-CB 3.41Å; I199-W203 PolarHBondContact O-N 2.84Å
200G94.5Very high94.9Very high13 Ų1322.2 Ų22.213%0.13412%0.116CC..Hα-helixtrans-62.3-44.8-179.700000112.5D196 R202 W203 I204D196-G200 WeakPolarHBondContact O-CA 3.44Å; D196-G200 PolarHBondContact O-N 2.69Å; G200-R202 PolarHBondContact O-N 2.61Å; G200-W203 PolarHBondContact O-N 2.81Å; G200-I204 WeakPolarHBondContact O-CB 3.37Å; G200-I204 WeakPolarHBondContact O-CD1 3.29Å; G200-I204 WeakPolarHBondContact O-CG1 3.18Å; G200-I204 PolarHBondContact O-N 2.81Å
201L96.2Very high94.6Very high2 Ų218.7 Ų18.71%0.0110%0.096CC..Hα-helixtrans-61.9-43177.2-179.561.8000111.6T49 F91 Y197 A205 Y226 L228 V287T49-L201 HydrophobicContact CG2-CD1 4.28Å; F91-L201 HydrophobicContact CE1-CB 4.22Å; Y197-L201 HydrophobicContact CE1-CD2 4Å; Y197-L201 WeakPolarHBondContact O-CB 3.39Å; Y197-L201 PolarHBondContact O-N 3.37Å; L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 3.02Å; L201-Y226 HydrophobicContact CD1-CD1 4.38Å; L201-L228 HydrophobicContact CD1-CD2 4.21Å; L201-V287 HydrophobicContact CD2-CG2 4.49Å
202R95.1Very high94.4Very high8 Ų819.4 Ų19.43%0.0310%0.1CC..Hα-helixtrans-61.1-46.6175178175.575159.94.9111.4D5 L8 D9 E12 L198 I199 G200 A205 K206 W295D5-R202 PolarHBondContact O-NH1 2.76Å; L8-R202 VanDerWaalsContact CB-CZ 3.48Å; D9-R202 IonicContact OD1-CZ 3.72Å; D9-R202 VanDerWaalsContact OD1-CZ 3.23Å; D9-R202 IonicContact OD1-NH1 2.61Å; D9-R202 PolarHBondContact OD1-NH1 3.44Å; D9-R202 IonicContact OD1-NH2 2.72Å; D9-R202 PolarHBondContact OD1-NH2 3.49Å; E12-R202 IonicContact OE2-CZ 3.74Å; E12-R202 IonicContact OE2-NH2 2.81Å; E12-R202 PolarHBondContact OE2-NH2 2.91Å; L198-R202 WeakPolarHBondContact O-CB 3.49Å; L198-R202 PolarHBondContact O-N 2.86Å; L198-R202 VanDerWaalsContact O-N 3.12Å; I199-R202 PolarHBondContact O-N 2.88Å; G200-R202 PolarHBondContact O-N 2.61Å; R202-A205 PolarHBondContact O-N 2.66Å; R202-K206 HydrophobicContact CG-CD 4.39Å; R202-K206 WeakPolarHBondContact O-CG 3.38Å; R202-K206 PolarHBondContact O-N 3.03Å; R202-K206 VanDerWaalsContact O-N 3.1Å; R202-W295 HydrophobicContact CB-CD2 4.26Å; R202-W295 HydrophobicContact CB-CE3 4.13Å; R202-W295 HydrophobicContact CB-CH2 3.92Å; R202-W295 HydrophobicContact CB-CZ2 4.06Å; R202-W295 HydrophobicContact CB-CZ3 3.96Å; R202-W295 HydrophobicContact CG-CD2 4Å; R202-W295 HydrophobicContact CG-CE3 4.39Å; R202-W295 HydrophobicContact CG-CG 4.45Å; R202-W295 HydrophobicContact CG-CH2 4.31Å; R202-W295 HydrophobicContact CG-CZ2 3.93Å
203W94.4Very high94.1Very high30 Ų3019.9 Ų19.911%0.11411%0.107CC..Hα-helixtrans-62.5-52.4-179.6175.175.5000111.2M25 E26 L29 L189 I199 G200 A205 K206 Q207M25-W203 HydrophobicContact CB-CH2 4.31Å; E26-W203 HydrophobicContact CB-CZ2 4.1Å; L29-W203 HydrophobicContact CB-CH2 4.22Å; L29-W203 HydrophobicContact CD2-CH2 3.55Å; L29-W203 HydrophobicContact CD2-CZ2 4.03Å; L29-W203 HydrophobicContact CD2-CZ3 3.98Å; L189-W203 HydrophobicContact CD1-CZ3 3.79Å; I199-W203 WeakPolarHBondContact O-CB 3.41Å; I199-W203 PolarHBondContact O-N 2.84Å; G200-W203 PolarHBondContact O-N 2.81Å; W203-A205 PolarHBondContact O-N 3.31Å; W203-K206 PolarHBondContact O-N 3.33Å; W203-Q207 HydrophobicContact CD2-CG 4.29Å; W203-Q207 HydrophobicContact CG-CG 4.5Å; W203-Q207 HydrophobicContact CZ2-CG 4.24Å; W203-Q207 VanDerWaalsContact O-CG 3.29Å; W203-Q207 WeakPolarHBondContact O-CG 3.48Å; W203-Q207 PolarHBondContact O-N 2.61Å
204I96.4Very high93.7Very high0 Ų025.4 Ų25.40%014%0.137CC..Hα-helixtrans-53.3-46.1175.8-67.5159.2000110.2C47 L89 F91 L189 G200 K206 Q207 L208C47-I204 HydrophobicContact CB-CG2 4.4Å; L89-I204 HydrophobicContact CD1-CG2 3.72Å; L89-I204 HydrophobicContact CD2-CD1 3.88Å; L89-I204 HydrophobicContact CD2-CG1 4.28Å; L89-I204 HydrophobicContact CD2-CG2 4Å; F91-I204 HydrophobicContact CB-CD1 3.87Å; F91-I204 HydrophobicContact CD1-CD1 3.73Å; F91-I204 HydrophobicContact CD2-CD1 3.93Å; F91-I204 HydrophobicContact CE1-CD1 4.22Å; F91-I204 HydrophobicContact CE2-CD1 4.38Å; F91-I204 HydrophobicContact CG-CD1 3.58Å; L189-I204 HydrophobicContact CD1-CD1 3.69Å; L189-I204 HydrophobicContact CD1-CG1 3.73Å; G200-I204 WeakPolarHBondContact O-CB 3.37Å; G200-I204 WeakPolarHBondContact O-CD1 3.29Å; G200-I204 WeakPolarHBondContact O-CG1 3.18Å; G200-I204 PolarHBondContact O-N 2.81Å; I204-K206 PolarHBondContact O-N 3.38Å; I204-Q207 PolarHBondContact O-N 3.23Å; I204-L208 HydrophobicContact CG2-CD1 3.88Å; I204-L208 HydrophobicContact CG2-CG 4.24Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 2.98Å
205A96.6Very high93.1Very high0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-61.8-45.9-175.600000113.2L201 R202 W203 Q207 E209 Y226 L291 W295L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 3.02Å; R202-A205 PolarHBondContact O-N 2.66Å; W203-A205 PolarHBondContact O-N 3.31Å; A205-Q207 PolarHBondContact O-N 3.15Å; A205-E209 WeakPolarHBondContact O-CB 3.27Å; A205-E209 PolarHBondContact O-N 3.1Å; A205-Y226 WeakPolarHBondContact CA-OH 3.2Å; A205-Y226 HydrophobicContact CB-CE1 4.27Å; A205-L291 HydrophobicContact CB-CD1 3.51Å; A205-W295 CarbonylContact C-O 3.45Å; A205-W295 HydrophobicContact CB-CB 3.71Å
206K94.7Very high91.9Very high96 Ų9631.4 Ų31.442%0.41717%0.166SC..Hα-helixtrans-64.4-38.4176.4-71.5-178.6174.7-177.20112.4R202 W203 I204 A210 W295R202-K206 HydrophobicContact CG-CD 4.39Å; R202-K206 WeakPolarHBondContact O-CG 3.38Å; R202-K206 PolarHBondContact O-N 3.03Å; R202-K206 VanDerWaalsContact O-N 3.1Å; W203-K206 PolarHBondContact O-N 3.33Å; I204-K206 PolarHBondContact O-N 3.38Å; K206-A210 WeakPolarHBondContact O-CB 3.47Å; K206-A210 PolarHBondContact O-N 3.36Å; K206-W295 HydrophobicContact CG-CB 4.49Å
207Q94.5Very high90.5Very high33 Ų3335.7 Ų35.715%0.15420%0.198CC..Hα-helixtrans-67-45.6179.4-67.5-62.5-2300112.1L29 W203 I204 A205 A210 I211L29-Q207 HydrophobicContact CD2-CB 3.9Å; L29-Q207 HydrophobicContact CD2-CG 4.12Å; W203-Q207 HydrophobicContact CD2-CG 4.29Å; W203-Q207 HydrophobicContact CG-CG 4.5Å; W203-Q207 HydrophobicContact CZ2-CG 4.24Å; W203-Q207 VanDerWaalsContact O-CG 3.29Å; W203-Q207 WeakPolarHBondContact O-CG 3.48Å; W203-Q207 PolarHBondContact O-N 2.61Å; I204-Q207 PolarHBondContact O-N 3.23Å; A205-Q207 PolarHBondContact O-N 3.15Å; Q207-A210 PolarHBondContact O-N 3.3Å; Q207-I211 PolarHBondContact O-N 3Å
208L94.9Very high89.3Confident2 Ų238.9 Ų38.91%0.0122%0.218CC..Hα-helixtrans-65.2-42.3177.4-67.3-178.5000111.5L33 I45 C47 L89 I204 I211 H212 L224 Y226L33-L208 HydrophobicContact CD1-CD2 4.2Å; L33-L208 HydrophobicContact CD2-CD2 3.93Å; I45-L208 HydrophobicContact CG2-CD2 4.17Å; C47-L208 HydrophobicContact CB-CD1 4.12Å; L89-L208 HydrophobicContact CD1-CD1 4.45Å; L89-L208 HydrophobicContact CD1-CD2 4.49Å; I204-L208 HydrophobicContact CG2-CD1 3.88Å; I204-L208 HydrophobicContact CG2-CG 4.24Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 2.98Å; L208-I211 PolarHBondContact O-N 3.3Å; L208-H212 PolarHBondContact O-N 2.83Å; L208-L224 HydrophobicContact CB-CD1 4.02Å; L208-L224 HydrophobicContact CB-CD2 4.34Å; L208-L224 WeakPolarHBondContact O-CD1 3.42Å; L208-Y226 HydrophobicContact CD1-CE1 4.48Å
209E94.7Very high88Confident22 Ų2248.9 Ų48.910%0.10327%0.265CS..Hα-helixtrans-61.6-45.7176.5-17166.3-16200112A205 I211 H212 V213 W295 S296 S298A205-E209 WeakPolarHBondContact O-CB 3.27Å; A205-E209 PolarHBondContact O-N 3.1Å; E209-I211 VanDerWaalsContact C-N 3.27Å; E209-I211 PolarHBondContact O-N 3.38Å; E209-H212 WeakPolarHBondContact O-CB 3.25Å; E209-H212 PolarHBondContact O-N 3.28Å; E209-H212 VanDerWaalsContact O-N 3.15Å; E209-V213 WeakPolarHBondContact O-CG2 3.41Å; E209-V213 PolarHBondContact O-N 3.43Å; E209-W295 WeakPolarHBondContact CB-O 3.28Å; E209-S296 WeakPolarHBondContact OE2-CA 3.45Å; E209-S296 WeakPolarHBondContact OE2-CB 3.25Å; E209-S296 PolarHBondContact OE2-OG 3.45Å; E209-S298 WeakPolarHBondContact OE1-CB 3.29Å; E209-S298 PolarHBondContact OE1-OG 2.91Å; E209-S298 PolarHBondContact OE2-N 3.08Å
210A92.9Very high87.5Confident44 Ų4451.1 Ų51.136%0.36427%0.274SS..Hα-helixtrans-57.2-41.7177.800000111.9K206 Q207 V213 N214K206-A210 WeakPolarHBondContact O-CB 3.47Å; K206-A210 PolarHBondContact O-N 3.36Å; Q207-A210 PolarHBondContact O-N 3.3Å; A210-V213 PolarHBondContact O-N 3.06Å; A210-N214 WeakPolarHBondContact O-CB 3.11Å; A210-N214 PolarHBondContact O-N 2.91Å; A210-N214 PolarHBondContact O-ND2 3.31Å
211I89.5Confident87.1Confident22 Ų2256.6 Ų56.611%0.11330%0.296CS..Hα-helixtrans-69-40.3177.4-79.1164.3000112.1L33 L37 Q207 L208 E209 N214 K215L33-I211 HydrophobicContact CB-CD1 3.84Å; L33-I211 HydrophobicContact CD1-CD1 3.16Å; L33-I211 HydrophobicContact CD2-CD1 4.26Å; L33-I211 HydrophobicContact CG-CD1 3.89Å; L37-I211 HydrophobicContact CD1-CG2 3.44Å; L37-I211 VanDerWaalsContact CD1-CG2 3.44Å; Q207-I211 PolarHBondContact O-N 3Å; L208-I211 PolarHBondContact O-N 3.3Å; E209-I211 VanDerWaalsContact C-N 3.27Å; E209-I211 PolarHBondContact O-N 3.38Å; I211-N214 PolarHBondContact O-N 2.68Å; I211-K215 WeakPolarHBondContact O-CB 3.28Å; I211-K215 PolarHBondContact O-N 2.83Å
212H90.3Very high86.9Confident20 Ų2056.6 Ų56.69%0.09330%0.296CS..Hα-helixtrans-59.1-47.1174.4174.187000111.6L208 E209 K215 N216 I222 L224 S298L208-H212 PolarHBondContact O-N 2.83Å; E209-H212 WeakPolarHBondContact O-CB 3.25Å; E209-H212 PolarHBondContact O-N 3.28Å; E209-H212 VanDerWaalsContact O-N 3.15Å; H212-K215 PolarHBondContact O-N 3.45Å; H212-N216 PolarHBondContact CD2-ND2 3.27Å; H212-N216 VanDerWaalsContact CD2-ND2 3.26Å; H212-N216 PolarHBondContact CE1-ND2 3.05Å; H212-N216 PolarHBondContact ND1-ND2 3.34Å; H212-N216 PolarHBondContact NE2-ND2 3.47Å; H212-N216 WeakPolarHBondContact O-CB 3.44Å; H212-N216 PolarHBondContact O-N 3.08Å; H212-N216 PolarHBondContact O-ND2 3.11Å; H212-I222 PolarHBondContact CE1-O 2.89Å; H212-I222 PolarHBondContact ND1-O 3.45Å; H212-L224 HydrophobicContact CB-CD1 3.62Å; H212-L224 HydrophobicContact CB-CG 4.12Å; H212-S298 WeakPolarHBondContact CD2-CB 3.17Å; H212-S298 PolarHBondContact CD2-OG 3.47Å; H212-S298 WeakPolarHBondContact NE2-CB 3.18Å; H212-S298 PolarHBondContact NE2-OG 2.82Å
213V88.9Confident86.9Confident82 Ų8260 Ų6050%0.49731%0.312SS..Hα-helixtrans-61.3-46.2176.7173.10000111.5E209 A210 K215E209-V213 WeakPolarHBondContact O-CG2 3.41Å; E209-V213 PolarHBondContact O-N 3.43Å; A210-V213 PolarHBondContact O-N 3.06Å; V213-K215 PolarHBondContact O-N 3.42Å
214N86.8Confident86.9Confident117 Ų11758.9 Ų58.963%0.62631%0.309SS*.Hα-helixtrans-66.7-37.2-177.8-70.8-19.5000113A210 I211A210-N214 WeakPolarHBondContact O-CB 3.11Å; A210-N214 PolarHBondContact O-N 2.91Å; A210-N214 PolarHBondContact O-ND2 3.31Å; I211-N214 PolarHBondContact O-N 2.68Å
215K82.3Confident87Confident64 Ų6459.7 Ų59.728%0.27831%0.314SS..Hα-helixtrans-93.4-20.9-174.2-74.1-80-169.5173.50114.3L37 I211 H212 V213 S217 T218 I222L37-K215 HydrophobicContact CD1-CG 4.23Å; I211-K215 WeakPolarHBondContact O-CB 3.28Å; I211-K215 PolarHBondContact O-N 2.83Å; H212-K215 PolarHBondContact O-N 3.45Å; V213-K215 PolarHBondContact O-N 3.42Å; K215-S217 PolarHBondContact O-N 2.96Å; K215-S217 VanDerWaalsContact O-N 3.1Å; K215-T218 WeakPolarHBondContact O-CA 3.03Å; K215-T218 WeakPolarHBondContact O-CB 3.3Å; K215-T218 PolarHBondContact O-N 3.48Å; K215-T218 PolarHBondContact O-OG1 3.31Å; K215-I222 HydrophobicContact CB-CD1 3.38Å; K215-I222 HydrophobicContact CG-CD1 4Å
216N69.4Low87Confident67 Ų6759.7 Ų59.736%0.35831%0.314SS..THydrogen-bonded Turntrans-63.6-14.8173-78.1-17.4000113.4H212 T218 I222H212-N216 PolarHBondContact CD2-ND2 3.27Å; H212-N216 VanDerWaalsContact CD2-ND2 3.26Å; H212-N216 PolarHBondContact CE1-ND2 3.05Å; H212-N216 PolarHBondContact ND1-ND2 3.34Å; H212-N216 PolarHBondContact NE2-ND2 3.47Å; H212-N216 WeakPolarHBondContact O-CB 3.44Å; H212-N216 PolarHBondContact O-N 3.08Å; H212-N216 PolarHBondContact O-ND2 3.11Å; N216-T218 PolarHBondContact O-N 3.1Å; N216-I222 PolarHBondContact OD1-N 2.83Å
217S64.4Low87.1Confident110 Ų11056.5 Ų56.577%0.76930%0.3SS*.THydrogen-bonded Turntrans-72.4-9.5168.4-60.40000113.1K215K215-S217 PolarHBondContact O-N 2.96Å; K215-S217 VanDerWaalsContact O-N 3.1Å
218T69.8Low87.3Confident74 Ų7455.4 Ų55.445%0.45430%0.295SS..SBendtrans-107.4152.8176.169.30000109.9K215 N216 K220K215-T218 WeakPolarHBondContact O-CA 3.03Å; K215-T218 WeakPolarHBondContact O-CB 3.3Å; K215-T218 PolarHBondContact O-N 3.48Å; K215-T218 PolarHBondContact O-OG1 3.31Å; N216-T218 PolarHBondContact O-N 3.1Å; T218-K220 PolarHBondContact O-N 2.73Å
219Q69.4Low87.3Confident214 Ų21456.1 Ų56.1100%130%0.3SS*.SBendtrans-54.7-7.5-169.4-72.2-179.2-21.100116.8
220K81.6Confident87.4Confident54 Ų5455.8 Ų55.824%0.23530%0.301CS..SBendtrans-105.5104-176.7-173177.8174-168.80110.7L37 H39 I42 N43 T218 I222L37-K220 PolarHBondContact O-NZ 3.46Å; H39-K220 PolarHBondContact O-NZ 3.25Å; I42-K220 WeakPolarHBondContact O-CE 3.29Å; I42-K220 PolarHBondContact O-NZ 2.96Å; N43-K220 HydrophobicContact CB-CG 4.42Å; T218-K220 PolarHBondContact O-N 2.73Å; K220-I222 PolarHBondContact O-N 2.8Å
221Q87.4Confident87.5Confident127 Ų12754.6 Ų54.659%0.59329%0.291SS*.PPolyproline II helixtrans-65.1127.8174.2-174174.527.600110.8N43N43-Q221 WeakPolarHBondContact CB-O 3.33Å
222I91.6Very high87.9Confident3 Ų355.5 Ų55.52%0.01530%0.298CS..PPolyproline II helixtrans-103.2130.8177-60.8168000109.5L37 N43 I45 H212 K215 N216 K220 L224L37-I222 HydrophobicContact CD1-CD1 4.09Å; L37-I222 HydrophobicContact CD2-CD1 3.44Å; L37-I222 VanDerWaalsContact CD2-CD1 3.44Å; L37-I222 HydrophobicContact CD2-CG1 3.88Å; L37-I222 HydrophobicContact CG-CD1 4.39Å; N43-I222 WeakPolarHBondContact O-CA 3.27Å; I45-I222 HydrophobicContact CD1-CG2 4.15Å; I45-I222 HydrophobicContact CG1-CG2 4.48Å; H212-I222 PolarHBondContact CE1-O 2.89Å; H212-I222 PolarHBondContact ND1-O 3.45Å; K215-I222 HydrophobicContact CB-CD1 3.38Å; K215-I222 HydrophobicContact CG-CD1 4Å; N216-I222 PolarHBondContact OD1-N 2.83Å; K220-I222 PolarHBondContact O-N 2.8Å; I222-L224 HydrophobicContact CG2-CD2 3.96Å
223H93.9Very high88.1Confident79 Ų7954.7 Ų54.737%0.36629%0.294SS..EExtended strand (participates in β ladder)trans-103.9126173.9-57.2-82.3000110.4N43 K44 I45N43-H223 PolarHBondContact O-N 2.93Å; K44-H223 WeakPolarHBondContact CA-O 3.47Å; K44-H223 HydrophobicContact CG-CB 4.4Å; I45-H223 PolarHBondContact N-O 3.14Å
224L96Very high88.3Confident7 Ų755.1 Ų55.14%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-105.4135.9176.6-60.5-175000110.5I45 L208 H212 I222 S299 Y300I45-L224 HydrophobicContact CB-CD2 3.97Å; I45-L224 HydrophobicContact CD1-CD2 4.23Å; I45-L224 HydrophobicContact CG1-CD2 4.49Å; I45-L224 WeakPolarHBondContact O-CA 3.29Å; L208-L224 HydrophobicContact CB-CD1 4.02Å; L208-L224 HydrophobicContact CB-CD2 4.34Å; L208-L224 WeakPolarHBondContact O-CD1 3.42Å; H212-L224 HydrophobicContact CB-CD1 3.62Å; H212-L224 HydrophobicContact CB-CG 4.12Å; I222-L224 HydrophobicContact CG2-CD2 3.96Å; L224-S299 CarbonylContact O-C 3.51Å; L224-S299 VanDerWaalsContact O-CA 3.32Å; L224-S299 WeakPolarHBondContact O-CA 3.41Å; L224-Y300 PolarHBondContact O-N 2.7Å
225S96.8Very high88.7Confident16 Ų1656 Ų5611%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-133.8146.6174.2-61.50000111.8I45 V46 C47 Y300I45-S225 PolarHBondContact O-N 3.31Å; V46-S225 CarbonylContact C-O 3.58Å; V46-S225 VanDerWaalsContact CA-O 3.27Å; V46-S225 WeakPolarHBondContact CA-O 3.17Å; C47-S225 PolarHBondContact N-O 3.43Å; S225-Y300 CarbonylContact C-O 3.44Å; S225-Y300 WeakPolarHBondContact CA-O 3.08Å
226Y97.8Very high89.3Confident0 Ų053.7 Ų53.70%028%0.279CS..EExtended strand (participates in β ladder)trans-115.9126.8169-67-94.7000109.7C47 L201 A205 L208 L228 L291 S296 S299 Y300 V301 I302C47-Y226 HydrophobicContact CB-CD1 3.57Å; C47-Y226 HydrophobicContact CB-CE1 3.64Å; C47-Y226 HydrophobicContact CB-CG 4.39Å; C47-Y226 CarbonylContact O-C 3.53Å; C47-Y226 WeakPolarHBondContact O-CA 3.35Å; L201-Y226 HydrophobicContact CD1-CD1 4.38Å; A205-Y226 WeakPolarHBondContact CA-OH 3.2Å; A205-Y226 HydrophobicContact CB-CE1 4.27Å; L208-Y226 HydrophobicContact CD1-CE1 4.48Å; Y226-L228 HydrophobicContact CD1-CD2 4.43Å; Y226-L291 HydrophobicContact CD1-CD1 4.32Å; Y226-L291 HydrophobicContact CD1-CD2 4.35Å; Y226-L291 HydrophobicContact CD2-CD1 4.48Å; Y226-L291 HydrophobicContact CE1-CD1 4.14Å; Y226-L291 HydrophobicContact CE2-CD1 4.3Å; Y226-L291 HydrophobicContact CG-CD2 4.19Å; Y226-S296 PolarHBondContact OH-OG 2.92Å; Y226-S299 VanDerWaalsContact CD2-OG 3.25Å; Y226-S299 WeakPolarHBondContact CD2-OG 3.35Å; Y226-S299 WeakPolarHBondContact CE2-OG 3.3Å; Y226-Y300 PolarHBondContact N-O 3.18Å; Y226-V301 HydrophobicContact CD2-CG2 4.09Å; Y226-I302 PolarHBondContact O-N 3.1Å
227Y97.4Very high90.4Very high29 Ų2951.3 Ų51.311%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-113.493.3174.4-173.2-82.8000108.4C47 I48 T49 S77 F81 S229 I302 F304C47-Y227 PolarHBondContact O-N 2.83Å; I48-Y227 WeakPolarHBondContact CA-O 3.2Å; I48-Y227 HydrophobicContact CG2-CD1 4.03Å; T49-Y227 PolarHBondContact N-O 2.92Å; S77-Y227 PolarHBondContact OG-OH 3.35Å; S77-Y227 VanDerWaalsContact OG-OH 3.13Å; F81-Y227 AromaticContact CE2-CD2 3.83Å; F81-Y227 HydrophobicContact CE2-CD2 3.83Å; F81-Y227 HydrophobicContact CE2-CE2 4.29Å; F81-Y227 HydrophobicContact CE2-CG 4.2Å; F81-Y227 HydrophobicContact CZ-CD2 4.09Å; Y227-S229 PolarHBondContact O-N 2.84Å; Y227-S229 VanDerWaalsContact O-N 3.15Å; Y227-I302 HydrophobicContact CD2-CB 4.47Å; Y227-I302 HydrophobicContact CD2-CD1 4.02Å; Y227-I302 HydrophobicContact CD2-CG2 4.29Å; Y227-F304 AromaticContact CD1-CE2 3.79Å; Y227-F304 HydrophobicContact CD1-CE2 3.79Å; Y227-F304 AromaticContact CD2-CE2 3.89Å; Y227-F304 HydrophobicContact CD2-CE2 3.89Å; Y227-F304 HydrophobicContact CD2-CZ 4.18Å; Y227-F304 HydrophobicContact CE1-CD2 4.26Å; Y227-F304 AromaticContact CE1-CE2 3.39Å; Y227-F304 HydrophobicContact CE1-CE2 3.39Å; Y227-F304 AromaticContact CE1-CZ 3.76Å; Y227-F304 HydrophobicContact CE1-CZ 3.76Å; Y227-F304 AromaticContact CE2-CE2 3.51Å; Y227-F304 HydrophobicContact CE2-CE2 3.51Å; Y227-F304 AromaticContact CE2-CZ 3.37Å; Y227-F304 HydrophobicContact CE2-CZ 3.37Å; Y227-F304 HydrophobicContact CG-CE2 4.03Å; Y227-F304 AromaticContact CZ-CE2 3.23Å; Y227-F304 AromaticContact CZ-CZ 3.11Å; Y227-F304 WeakPolarHBondContact OH-CZ 3.49Å
228L96.8Very high91.5Very high11 Ų1146.7 Ų46.76%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-91.378.5-167.7-55.4179.1000111.2T49 L201 Y226 M288 L291 V301 I302 F304T49-L228 HydrophobicContact CG2-CD2 3.75Å; T49-L228 VanDerWaalsContact OG1-CA 3.3Å; T49-L228 WeakPolarHBondContact OG1-CA 3.48Å; L201-L228 HydrophobicContact CD1-CD2 4.21Å; Y226-L228 HydrophobicContact CD1-CD2 4.43Å; L228-M288 HydrophobicContact CD1-CE 3.59Å; L228-M288 HydrophobicContact CD1-SD 3.22Å; L228-M288 WeakPolarHBondContact CD1-SD 3.37Å; L228-L291 HydrophobicContact CD1-CD2 3.79Å; L228-L291 HydrophobicContact CD2-CD2 4.43Å; L228-V301 HydrophobicContact CD1-CG1 3.88Å; L228-V301 HydrophobicContact CG-CG1 4.47Å; L228-I302 WeakPolarHBondContact CB-O 3.36Å; L228-I302 PolarHBondContact N-O 3.4Å; L228-F304 WeakPolarHBondContact O-CD2 3.38Å; L228-F304 PolarHBondContact O-N 2.9Å
229S96.1Very high92.4Very high17 Ų1747.4 Ų47.412%0.11923%0.227CC..  trans-1023.6-175.470.80000115.3T49 Y227T49-S229 CarbonylContact O-C 3.5Å; T49-S229 VanDerWaalsContact O-C 3.25Å; T49-S229 WeakPolarHBondContact O-CA 3.39Å; T49-S229 WeakPolarHBondContact O-CB 3.19Å; T49-S229 PolarHBondContact O-N 3.21Å; T49-S229 VanDerWaalsContact O-N 3.15Å; T49-S229 PolarHBondContact O-OG 2.95Å; T49-S229 PolarHBondContact OG1-N 3.2Å; Y227-S229 PolarHBondContact O-N 2.84Å; Y227-S229 VanDerWaalsContact O-N 3.15Å
230A96.8Very high93.2Very high15 Ų1542.3 Ų42.312%0.12420%0.203CC..SBendtrans-65.9144.2173.100000112T49 G51 F191 Y197 V232T49-A230 PolarHBondContact O-N 3.06Å; T49-A230 WeakPolarHBondContact OG1-CB 3.48Å; T49-A230 PolarHBondContact OG1-N 3.39Å; T49-A230 VanDerWaalsContact OG1-N 3.11Å; G51-A230 CarbonylContact O-C 3.48Å; G51-A230 WeakPolarHBondContact O-CA 3.32Å; G51-A230 WeakPolarHBondContact O-CB 3.27Å; F191-A230 HydrophobicContact CZ-CB 4.22Å; Y197-A230 HydrophobicContact CD2-CB 4.48Å; Y197-A230 HydrophobicContact CE2-CB 3.73Å; A230-V232 HydrophobicContact CB-CG2 4.16Å; A230-V232 PolarHBondContact O-N 3.07Å; A230-V232 VanDerWaalsContact O-N 3.16Å
231A95.6Very high93.5Very high18 Ų1846.3 Ų46.315%0.14922%0.218CC..BIsolated β-bridgetrans-84.684.5171.100000108.9G51 T53 N67G51-A231 PolarHBondContact O-N 2.87Å; T53-A231 PolarHBondContact N-O 3.47Å; T53-A231 VanDerWaalsContact N-O 3.1Å; T53-A231 PolarHBondContact OG1-O 3.15Å; N67-A231 HydrophobicContact CB-CB 4.11Å; N67-A231 WeakPolarHBondContact CB-O 3.49Å
232V96.1Very high93.7Very high42 Ų4241.2 Ų41.226%0.25519%0.193SC..  trans-77.8134.6-177.3-171.70000110.1T53 N67 I194 Y197 A230T53-V232 WeakPolarHBondContact OG1-CA 3.27Å; N67-V232 PolarHBondContact ND2-O 3.39Å; I194-V232 HydrophobicContact CD1-CG1 3.33Å; Y197-V232 HydrophobicContact CD1-CG1 4.04Å; Y197-V232 HydrophobicContact CD1-CG2 4.11Å; Y197-V232 HydrophobicContact CE1-CB 4.37Å; Y197-V232 HydrophobicContact CE1-CG1 3.92Å; Y197-V232 HydrophobicContact CE1-CG2 3.43Å; Y197-V232 VanDerWaalsContact CE1-CG2 3.43Å; Y197-V232 HydrophobicContact CE2-CG2 4.14Å; Y197-V232 VanDerWaalsContact CZ-CG2 3.44Å; A230-V232 HydrophobicContact CB-CG2 4.16Å; A230-V232 PolarHBondContact O-N 3.07Å; A230-V232 VanDerWaalsContact O-N 3.16Å
233S95.2Very high93.7Very high3 Ų343.7 Ų43.72%0.02121%0.209CC..  trans-61.4133.5176.7-56.20000110.9T53 V55 N67 Y235 V284T53-S233 PolarHBondContact O-OG 2.91Å; T53-S233 PolarHBondContact OG1-N 3.38Å; T53-S233 PolarHBondContact OG1-OG 3.23Å; V55-S233 WeakPolarHBondContact CG2-OG 3.25Å; N67-S233 WeakPolarHBondContact ND2-CA 3.39Å; S233-Y235 WeakPolarHBondContact CB-O 3.43Å; S233-V284 VanDerWaalsContact O-CG2 3.28Å; S233-V284 WeakPolarHBondContact O-CG2 3.32Å
234D93.5Very high93.4Very high90 Ų9045.6 Ų45.648%0.48122%0.218SC..SBendtrans-82.7-19.5176.1-78.2-58.1000112.7P283 V284 K286D234-P283 WeakPolarHBondContact O-CA 3.19Å; D234-V284 PolarHBondContact O-N 2.91Å; D234-K286 IonicContact OD1-NZ 3.81Å; D234-K286 PolarHBondContact OD1-NZ 3.43Å
235Y95.4Very high93.2Very high136 Ų13650.9 Ų50.953%0.53324%0.243SC..EExtended strand (participates in β ladder)trans-130.2152.9179.4-61.9-90.5000110.1V55 S233 L281 Q282 P283V55-Y235 VanDerWaalsContact CG2-O 3.29Å; V55-Y235 WeakPolarHBondContact CG2-O 3.41Å; S233-Y235 WeakPolarHBondContact CB-O 3.43Å; Y235-L281 HydrophobicContact CD1-CB 4.43Å; Y235-L281 HydrophobicContact CG-CB 4.48Å; Y235-Q282 CarbonylContact C-O 3.58Å; Y235-Q282 WeakPolarHBondContact CA-O 3.25Å; Y235-P283 HydrophobicContact CE1-CB 4.5Å
236Y94.2Very high92.8Very high15 Ų1555.6 Ų55.66%0.05926%0.261CS..EExtended strand (participates in β ladder)trans-143.5165.1176.679.7-64.2000110.7W7 N238 Q282 P283 V284W7-Y236 HydrophobicContact CZ2-CD2 4.31Å; W7-Y236 HydrophobicContact CZ2-CE1 4.22Å; W7-Y236 AromaticContact CZ2-CE2 3.58Å; W7-Y236 HydrophobicContact CZ2-CE2 3.58Å; W7-Y236 AromaticContact CZ2-CZ 3.53Å; W7-Y236 PolarHBondContact NE1-OH 2.84Å; Y236-N238 HydrophobicContact CE2-CB 4.1Å; Y236-Q282 HydrophobicContact CD1-CB 4.06Å; Y236-Q282 VanDerWaalsContact CD1-O 3.26Å; Y236-Q282 WeakPolarHBondContact CD1-O 3.49Å; Y236-Q282 HydrophobicContact CE1-CB 3.6Å; Y236-Q282 PolarHBondContact N-O 3.35Å; Y236-Q282 PolarHBondContact O-N 2.87Å; Y236-Q282 PolarHBondContact OH-OE1 3.27Å; Y236-P283 WeakPolarHBondContact CE1-O 3.45Å; Y236-V284 HydrophobicContact CD1-CG2 3.8Å; Y236-V284 HydrophobicContact CG-CG2 4.12Å
237L92.1Very high92.1Very high17 Ų1757 Ų579%0.08927%0.269CS..  trans-111.5117.2172.1179.560.1000108.3V55 L57 R242 L281V55-L237 HydrophobicContact CG1-CB 4.41Å; L57-L237 HydrophobicContact CD2-CD2 4.45Å; L237-R242 HydrophobicContact CD2-CG 3.8Å; L237-R242 HydrophobicContact CG-CG 3.88Å; L237-R242 PolarHBondContact O-NE 3.13Å; L237-R242 PolarHBondContact O-NH2 3.16Å; L237-L281 HydrophobicContact CB-CD2 4.02Å
238N89.1Confident91.2Very high13 Ų1362 Ų627%0.0729%0.293CS..  trans-59.4142.5179.5-168.4-8.8000111Y236 E240 Y241 R242Y236-N238 HydrophobicContact CE2-CB 4.1Å; N238-E240 HydrophobicContact CB-CG 4.13Å; N238-E240 VanDerWaalsContact ND2-CD 3.34Å; N238-E240 WeakPolarHBondContact ND2-CG 3.29Å; N238-E240 PolarHBondContact ND2-OE1 3.27Å; N238-E240 PolarHBondContact O-N 3.2Å; N238-E240 WeakPolarHBondContact OD1-CG 3.4Å; N238-Y241 HydrophobicContact CB-CD2 3.75Å; N238-Y241 HydrophobicContact CB-CE2 4.05Å; N238-Y241 PolarHBondContact O-N 3.11Å; N238-R242 PolarHBondContact O-N 2.86Å
239R87.7Confident89.8Confident89 Ų8966.3 Ų66.334%0.33632%0.32SS..G310 helixtrans-56.4-36.5-174.2-173.5175.1180-108.6-1.2112.5E14 Y241 R242E14-R239 WeakPolarHBondContact OE2-CB 3.44Å; E14-R239 WeakPolarHBondContact OE2-CD 3.24Å; R239-Y241 PolarHBondContact O-N 3.33Å; R239-R242 WeakPolarHBondContact O-CB 3.49Å; R239-R242 PolarHBondContact O-N 3.38Å; R239-R242 VanDerWaalsContact O-N 3.1Å
240E86.8Confident88.1Confident108 Ų10874.3 Ų74.351%0.50535%0.352SS..G310 helixtrans-63.3-19.9175.940.6-172.1134.300114.2K10 N238K10-E240 IonicContact NZ-OE1 2.59Å; K10-E240 PolarHBondContact NZ-OE1 3.3Å; N238-E240 HydrophobicContact CB-CG 4.13Å; N238-E240 VanDerWaalsContact ND2-CD 3.34Å; N238-E240 WeakPolarHBondContact ND2-CG 3.29Å; N238-E240 PolarHBondContact ND2-OE1 3.27Å; N238-E240 PolarHBondContact O-N 3.2Å; N238-E240 WeakPolarHBondContact OD1-CG 3.4Å
241Y88.3Confident85.9Confident137 Ų13777.4 Ų77.454%0.53737%0.373SS..G310 helixtrans-102.70.1175-53.4-50.3000113.4N238 R239N238-Y241 HydrophobicContact CB-CD2 3.75Å; N238-Y241 HydrophobicContact CB-CE2 4.05Å; N238-Y241 PolarHBondContact O-N 3.11Å; R239-Y241 PolarHBondContact O-N 3.33Å
242R90.7Very high83.7Confident21 Ų2183.7 Ų83.78%0.07940%0.402CS..SBendtrans-82.6123.9177.1-66-179.9-159.4166.41.7109.4P56 I59 E195 L237 N238 R239P56-R242 PolarHBondContact O-NE 3.25Å; I59-R242 HydrophobicContact CG1-CB 3.95Å; E195-R242 IonicContact OE1-CZ 3.16Å; E195-R242 IonicContact OE1-NH2 3.92Å; E195-R242 PolarHBondContact OE1-NH2 2.74Å; E195-R242 IonicContact OE2-NH2 3.97Å; L237-R242 HydrophobicContact CD2-CG 3.8Å; L237-R242 HydrophobicContact CG-CG 3.88Å; L237-R242 PolarHBondContact O-NE 3.13Å; L237-R242 PolarHBondContact O-NH2 3.16Å; N238-R242 PolarHBondContact O-N 2.86Å; R239-R242 WeakPolarHBondContact O-CB 3.49Å; R239-R242 PolarHBondContact O-N 3.38Å; R239-R242 VanDerWaalsContact O-N 3.1Å
243P90.8Very high81.5Confident55 Ų5587.2 Ų87.236%0.35742%0.418SS..  trans-60.8150.7168.426.4-33.7000110.3L57 E58 I59 H245 I247L57-P243 WeakPolarHBondContact O-CD 3.42Å; E58-P243 CarbonylContact C-O 3.53Å; E58-P243 VanDerWaalsContact CA-O 3.29Å; E58-P243 WeakPolarHBondContact CA-O 3.31Å; E58-P243 WeakPolarHBondContact CB-O 3.25Å; E58-P243 HydrophobicContact CG-CG 4.02Å; I59-P243 PolarHBondContact N-O 2.83Å; P243-H245 VanDerWaalsContact C-N 3.27Å; P243-H245 PolarHBondContact O-N 3.45Å; P243-I247 HydrophobicContact CG-CD1 4.39Å; P243-I247 HydrophobicContact CG-CG1 3.68Å
244E89Confident79Confident118 Ų11892.2 Ų92.255%0.55145%0.453SS*.SBendtrans-64.9-34.7-179.4-173.4172.3-176.900112.2N60N60-E244 VanDerWaalsContact CB-O 3.24Å; N60-E244 WeakPolarHBondContact CB-O 3.43Å; N60-E244 PolarHBondContact N-O 3.06Å; N60-E244 VanDerWaalsContact N-O 3.13Å; N60-E244 PolarHBondContact ND2-O 2.83Å
245H90Very high76.7Confident118 Ų11893.9 Ų93.955%0.54647%0.467SS..SBendtrans-127.2166.6-174.4-58.2-58000112.3P243 I247P243-H245 VanDerWaalsContact C-N 3.27Å; P243-H245 PolarHBondContact O-N 3.45Å; H245-I247 PolarHBondContact O-N 3.14Å
246K88.6Confident74Confident115 Ų11592.8 Ų92.850%0.548%0.475SS..  trans-37.7121.5177.3-177.5-179.9-177.6177.30111.5V62 Q248V62-K246 HydrophobicContact CB-CB 4.45Å; V62-K246 HydrophobicContact CG1-CD 4.25Å; V62-K246 HydrophobicContact CG1-CG 4.29Å; V62-K246 HydrophobicContact CG2-CB 4.31Å; K246-Q248 WeakPolarHBondContact O-CG 3.26Å; K246-Q248 PolarHBondContact O-N 3.47Å
247I83.4Confident71.4Confident31 Ų3198.6 Ų98.616%0.15951%0.511CS..  trans-56.6114.6177.2-63.8160.7000109L57 E58 R63 P243 H245 L277 L279L57-I247 HydrophobicContact CB-CD1 4.24Å; E58-I247 HydrophobicContact CG-CD1 4.48Å; E58-I247 HydrophobicContact CG-CG1 4.14Å; E58-I247 PolarHBondContact OE1-N 2.81Å; R63-I247 PolarHBondContact NH1-O 2.84Å; R63-I247 VanDerWaalsContact NH1-O 3.13Å; R63-I247 PolarHBondContact NH2-O 3.11Å; P243-I247 HydrophobicContact CG-CD1 4.39Å; P243-I247 HydrophobicContact CG-CG1 3.68Å; H245-I247 PolarHBondContact O-N 3.14Å; I247-L277 HydrophobicContact CG2-CD1 3.92Å; I247-L279 HydrophobicContact CD1-CD2 4.46Å
248Q78.3Confident68.7Low132 Ų132103.9 Ų103.962%0.61755%0.545SS*.  trans-96.8138.1177.8-58.7-172.413.900110K246 K250 S251K246-Q248 WeakPolarHBondContact O-CG 3.26Å; K246-Q248 PolarHBondContact O-N 3.47Å; Q248-K250 PolarHBondContact O-N 3.22Å; Q248-S251 PolarHBondContact O-N 3.01Å; Q248-S251 VanDerWaalsContact O-N 3.08Å
249T68.3Low66.1Low103 Ų103110 Ų11063%0.63258%0.583SS**THydrogen-bonded Turntrans-55.4-24.5177.6-46.40000113
250K60.3Low63.9Low184 Ų184110.3 Ų110.380%0.861%0.605SS**THydrogen-bonded Turntrans-87.4-12.8-177.9-63.2-176.9179.2-179.80114.6Q248 M252Q248-K250 PolarHBondContact O-N 3.22Å; K250-M252 PolarHBondContact O-N 3.42Å
251S49.8Very low61.7Low81 Ų81114.4 Ų114.457%0.56662%0.621SS**THydrogen-bonded Turntrans-80.3-12.3-166.4-170.80000114.7Q248Q248-S251 PolarHBondContact O-N 3.01Å; Q248-S251 VanDerWaalsContact O-N 3.08Å
252M50.9Low59.2Low150 Ų150115 Ų11574%0.73963%0.634SS**THydrogen-bonded Turntrans-89.5-10-179.9-74.2-71.1169.200113.5K250 S254K250-M252 PolarHBondContact O-N 3.42Å; M252-S254 PolarHBondContact O-N 3.03Å
253L49Very low57.2Low115 Ų115119 Ų11960%0.60267%0.665SS**THydrogen-bonded Turntrans-86.10.4-171-14172.8000115.5E275L253-E275 WeakPolarHBondContact CD1-OE1 3.46Å
254S43.2Very low54.8Low108 Ų108123.7 Ų123.776%0.75569%0.686SS**THydrogen-bonded Turntrans-92.73.2-171.555.60000115.7M252M252-S254 PolarHBondContact O-N 3.03Å
255T44.8Very low52.8Low126 Ų126123.2 Ų123.277%0.77369%0.688SS**SBendtrans-113.41.4-175.434.70000116.6
256T38.9Very low50.8Low113 Ų113128.1 Ų128.169%0.69370%0.703SS**SBendtrans-142.6137.8175.143.30000112.1
257T38.6Very low48.9Very low136 Ų136130.7 Ų130.783%0.83472%0.721SS**  trans7680.3166.250.40000119.6
258T36.1Very low47.4Very low129 Ų129134.9 Ų134.979%0.79174%0.744SS**  trans-41.6143130.528.70000112.8
259T35.3Very low46Very low140 Ų140132.9 Ų132.986%0.85973%0.733SS**  trans75.596.3159.255.90000120.6
260A40Very low45.2Very low97 Ų97132.9 Ų132.980%0.80274%0.738SS**  trans174.794.4135.400000109.3
261K41.2Very low44.8Very low193 Ų193130.1 Ų130.184%0.83973%0.731SS**  42106.195.9-71.4-170.4179.6-179.70116.1
262N37Very low45Very low151 Ų151130.5 Ų130.581%0.80773%0.733SS**  trans58.8109136.4-54.9-2.7000119.8
263S47.2Very low45.2Very low105 Ų105132.1 Ų132.173%0.73473%0.732SS**  -178.1137.4121.455.40000111.3
264D41.1Very low45.8Very low152 Ų152132.5 Ų132.581%0.81373%0.733SS**  trans-59.5125.3-174.5-57-59.6000113.5
265D47.4Very low47.2Very low109 Ų109132 Ų13258%0.58372%0.718SS**  trans-160.697.4151.7-153.71.4000107.8
266Y48.4Very low48.9Very low221 Ų221131.9 Ų131.987%0.86771%0.713SS**  trans-100.98.6-158-128.7-92.3000114.3
267L47.9Very low50.9Low168 Ų168131.2 Ų131.288%0.8871%0.705SS**SBendtrans-145.539.2-170.9-146.379.7000115.4
268D50.8Low53.2Low120 Ų120132.3 Ų132.364%0.64270%0.7SS**SBendtrans-159.810.3157.9-149.36.7000114.2
269K50Low55.6Low89 Ų89129.7 Ų129.739%0.38768%0.681SS.*THydrogen-bonded Turntrans-88.81.9-173.5-85.5177-175.5154.60115.4S272K269-S272 WeakPolarHBondContact CA-OG 3.42Å
270S50.9Low58.2Low104 Ų104128.3 Ų128.373%0.72768%0.677SS**THydrogen-bonded Turntrans-85.2-29.4-178.554.40000113.2
271L52.9Low60.8Low126 Ų126126.4 Ų126.466%0.6665%0.653SS**THydrogen-bonded Turntrans-84-28.7175.2-87.8145.8000112.8R273 I274L271-R273 VanDerWaalsContact C-N 3.27Å; L271-R273 PolarHBondContact O-N 3.28Å; L271-I274 HydrophobicContact CD2-CD1 4.31Å
272S52.5Low63.3Low88 Ų88120.4 Ų120.462%0.61563%0.628SS**THydrogen-bonded Turntrans-80.93.2-18048.40000115.1K269K269-S272 WeakPolarHBondContact CA-OG 3.42Å
273R56.8Low66Low185 Ų185117.7 Ų117.770%0.69862%0.618SS**THydrogen-bonded Turntrans-114.224175.1-65.9-175.2-172.3-174.42.7113.3L271 E275L271-R273 VanDerWaalsContact C-N 3.27Å; L271-R273 PolarHBondContact O-N 3.28Å; R273-E275 VanDerWaalsContact C-N 3.35Å; R273-E275 PolarHBondContact O-N 3.42Å; R273-E275 VanDerWaalsContact O-N 3.1Å
274I61.5Low68.2Low123 Ų123113.1 Ų113.163%0.63159%0.586SS**  trans-76.594.7167.6-60.6170.7000106.3L271L271-I274 HydrophobicContact CD2-CD1 4.31Å
275E71.7Confident70.6Confident96 Ų96107.8 Ų107.845%0.44956%0.56SS.*  trans-73.1134.8171.8-67.7-178172.900109.9L253 R273L253-E275 WeakPolarHBondContact CD1-OE1 3.46Å; R273-E275 VanDerWaalsContact C-N 3.35Å; R273-E275 PolarHBondContact O-N 3.42Å; R273-E275 VanDerWaalsContact O-N 3.1Å
276D79.9Confident72.5Confident125 Ų125109.6 Ų109.667%0.66856%0.563SS**  trans-64.4139.3174.6-73.9-27.6000110.7H278D276-H278 PolarHBondContact O-N 3.39Å
277L82.5Confident74.5Confident98 Ų9899.8 Ų99.851%0.51353%0.525SS..  trans-83.8102.9171.1178.662.9000109.5I247 L279I247-L277 HydrophobicContact CG2-CD1 3.92Å; L277-L279 HydrophobicContact CD1-CD2 4.18Å; L277-L279 HydrophobicContact CD2-CD2 4.33Å; L277-L279 HydrophobicContact CD2-CG 4.41Å; L277-L279 HydrophobicContact CG-CD2 4.16Å; L277-L279 HydrophobicContact CG-CG 4.19Å
278H85.2Confident76.4Confident159 Ų15994.9 Ų94.974%0.73650%0.499SS*.  trans-88.3118.6171.8-64.8-78000110.9D276D276-H278 PolarHBondContact O-N 3.39Å
279L87.1Confident78.3Confident75 Ų7596.4 Ų96.439%0.39350%0.5SS..  trans-106.6124.6174.7-63.9176.4000110.1L57 I247 L277L57-L279 HydrophobicContact CD1-CD1 3.87Å; L57-L279 HydrophobicContact CD2-CD1 4.19Å; I247-L279 HydrophobicContact CD1-CD2 4.46Å; L277-L279 HydrophobicContact CD1-CD2 4.18Å; L277-L279 HydrophobicContact CD2-CD2 4.33Å; L277-L279 HydrophobicContact CD2-CG 4.41Å; L277-L279 HydrophobicContact CG-CD2 4.16Å; L277-L279 HydrophobicContact CG-CG 4.19Å
280S91.1Very high80.3Confident110 Ų11092.5 Ų92.577%0.76948%0.483SS*.  trans-100.9116.5171.4-66.30000109.6
281L94.1Very high82.3Confident57 Ų5787.6 Ų87.630%0.29845%0.449SS..  trans-113.9151.1-178.8-54.2173.5000110.6I65 Y235 L237I65-L281 HydrophobicContact CD1-CD1 3.47Å; I65-L281 VanDerWaalsContact CD1-CD1 3.47Å; I65-L281 HydrophobicContact CD1-CD2 4.13Å; I65-L281 HydrophobicContact CD1-CG 4.42Å; Y235-L281 HydrophobicContact CD1-CB 4.43Å; Y235-L281 HydrophobicContact CG-CB 4.48Å; L237-L281 HydrophobicContact CB-CD2 4.02Å
282Q93.4Very high84.2Confident68 Ų6882.7 Ų82.732%0.31842%0.424SS..EExtended strand (participates in β ladder)trans-100.5146.8176.3-65.2-178.9-44.400110.3Y235 Y236Y235-Q282 CarbonylContact C-O 3.58Å; Y235-Q282 WeakPolarHBondContact CA-O 3.25Å; Y236-Q282 HydrophobicContact CD1-CB 4.06Å; Y236-Q282 VanDerWaalsContact CD1-O 3.26Å; Y236-Q282 WeakPolarHBondContact CD1-O 3.49Å; Y236-Q282 HydrophobicContact CE1-CB 3.6Å; Y236-Q282 PolarHBondContact N-O 3.35Å; Y236-Q282 PolarHBondContact O-N 2.87Å; Y236-Q282 PolarHBondContact OH-OE1 3.27Å
283P94.6Very high86.1Confident93 Ų9382 Ų8260%0.60442%0.416SS*.EExtended strand (participates in β ladder)trans-66.6137175.427.8-34.1000110.9D234 Y235 Y236D234-P283 WeakPolarHBondContact O-CA 3.19Å; Y235-P283 HydrophobicContact CE1-CB 4.5Å; Y236-P283 WeakPolarHBondContact CE1-O 3.45Å
284V92.9Very high87.8Confident10 Ų1077.6 Ų77.66%0.06141%0.406CS..PPolyproline II helixtrans-69.3127.5173.9173.70000109.4I194 L198 S233 D234 Y236 K286I194-V284 HydrophobicContact CD1-CG1 4.36Å; I194-V284 HydrophobicContact CG1-CG1 4.42Å; I194-V284 HydrophobicContact CG1-CG2 4.08Å; L198-V284 HydrophobicContact CD1-CG1 4.04Å; S233-V284 VanDerWaalsContact O-CG2 3.28Å; S233-V284 WeakPolarHBondContact O-CG2 3.32Å; D234-V284 PolarHBondContact O-N 2.91Å; Y236-V284 HydrophobicContact CD1-CG2 3.8Å; Y236-V284 HydrophobicContact CG-CG2 4.12Å; V284-K286 PolarHBondContact O-N 3.32Å
285P90Very high89.4Confident40 Ų4071.9 Ų71.926%0.2638%0.377SS..PPolyproline II helixtrans-58.4139.5177.8-25.434.4000112.9L4 W7 V287L4-P285 HydrophobicContact CD1-CB 3.29Å; L4-P285 HydrophobicContact CD1-CG 3.69Å; L4-P285 HydrophobicContact CD2-CB 3.81Å; L4-P285 HydrophobicContact CG-CB 4.21Å; W7-P285 HydrophobicContact CD2-CG 4.46Å; W7-P285 HydrophobicContact CE3-CG 4.2Å; W7-P285 HydrophobicContact CH2-CG 4.04Å; W7-P285 HydrophobicContact CZ2-CG 4.34Å; W7-P285 HydrophobicContact CZ3-CG 3.97Å; P285-V287 PolarHBondContact O-N 3.24Å; P285-V287 VanDerWaalsContact O-N 3.09Å
286K88.3Confident90.5Very high147 Ų14767.3 Ų67.364%0.63936%0.355SS*.  trans-76.999.9-178.9-59.7-57.9-177.1-169.30111D234 V284D234-K286 IonicContact OD1-NZ 3.81Å; D234-K286 PolarHBondContact OD1-NZ 3.43Å; V284-K286 PolarHBondContact O-N 3.32Å
287V90.4Very high91.2Very high14 Ų1464.1 Ų64.19%0.08534%0.341CS..THydrogen-bonded Turntrans-80.2-12.3-178.7-65.20000115.3L4 L198 L201 P285 K289 L290 L291 W295L4-V287 HydrophobicContact CD2-CG1 4.14Å; L198-V287 HydrophobicContact CD2-CG1 3.84Å; L198-V287 HydrophobicContact CD2-CG2 3.91Å; L201-V287 HydrophobicContact CD2-CG2 4.49Å; P285-V287 PolarHBondContact O-N 3.24Å; P285-V287 VanDerWaalsContact O-N 3.09Å; V287-K289 VanDerWaalsContact C-N 3.27Å; V287-K289 PolarHBondContact O-N 3.43Å; V287-L290 WeakPolarHBondContact O-CA 3.32Å; V287-L290 WeakPolarHBondContact O-CB 3.39Å; V287-L290 PolarHBondContact O-N 3.02Å; V287-L291 PolarHBondContact O-N 3.13Å; V287-W295 HydrophobicContact CB-CH2 3.71Å; V287-W295 HydrophobicContact CB-CZ3 3.96Å; V287-W295 HydrophobicContact CG1-CH2 3.75Å; V287-W295 HydrophobicContact CG1-CZ3 4.44Å
288M88.6Confident91.7Very high66 Ų6661.7 Ų61.733%0.32533%0.333SS..Hα-helixtrans-56.3-38.5-177.6-72.9-59.3-59.300113.9L228 L291 T292 V301L228-M288 HydrophobicContact CD1-CE 3.59Å; L228-M288 HydrophobicContact CD1-SD 3.22Å; L228-M288 WeakPolarHBondContact CD1-SD 3.37Å; M288-L291 PolarHBondContact O-N 2.71Å; M288-T292 PolarHBondContact O-N 3.25Å; M288-T292 PolarHBondContact O-OG1 3Å; M288-V301 HydrophobicContact CE-CG1 3.54Å
289K88.9Confident92.1Very high151 Ų15154.3 Ų54.366%0.65730%0.299SS*.Hα-helixtrans-65-45.2176.4-171.9174.8-179.5179.30110.2V287 L291 T292 T293V287-K289 VanDerWaalsContact C-N 3.27Å; V287-K289 PolarHBondContact O-N 3.43Å; K289-L291 PolarHBondContact O-N 2.89Å; K289-T292 PolarHBondContact O-N 3.43Å; K289-T292 PolarHBondContact O-OG1 3.08Å; K289-T293 HydrophobicContact CG-CG2 4.21Å; K289-T293 WeakPolarHBondContact O-CB 3.45Å; K289-T293 WeakPolarHBondContact O-CG2 3.31Å; K289-T293 PolarHBondContact O-N 2.93Å; K289-T293 PolarHBondContact O-OG1 2.81Å
290L92.1Very high92.5Very high7 Ų754.5 Ų54.54%0.03730%0.295CS..Hα-helixtrans-61.4-42.8176.8-67.4-174.6000112.6N2 L4 V287 T292 T293 L294 W295N2-L290 VanDerWaalsContact ND2-CD2 3.29Å; N2-L290 WeakPolarHBondContact ND2-CD2 3.33Å; L4-L290 HydrophobicContact CB-CD1 3.92Å; L4-L290 HydrophobicContact CD2-CD1 3.39Å; L4-L290 HydrophobicContact CD2-CG 4.11Å; L4-L290 HydrophobicContact CG-CD1 3.51Å; V287-L290 WeakPolarHBondContact O-CA 3.32Å; V287-L290 WeakPolarHBondContact O-CB 3.39Å; V287-L290 PolarHBondContact O-N 3.02Å; L290-T292 VanDerWaalsContact C-N 3.31Å; L290-T292 PolarHBondContact O-N 3.03Å; L290-T293 PolarHBondContact O-N 2.99Å; L290-L294 HydrophobicContact CD2-CD2 4.27Å; L290-L294 WeakPolarHBondContact O-CA 3.41Å; L290-L294 WeakPolarHBondContact O-CB 3.48Å; L290-L294 PolarHBondContact O-N 2.85Å; L290-W295 HydrophobicContact CB-CD2 3.99Å; L290-W295 HydrophobicContact CB-CE3 4.46Å; L290-W295 HydrophobicContact CB-CH2 4.21Å; L290-W295 HydrophobicContact CB-CZ2 3.69Å; L290-W295 HydrophobicContact CD1-CH2 4.2Å; L290-W295 HydrophobicContact CD1-CZ2 3.42Å; L290-W295 VanDerWaalsContact CD1-CZ2 3.42Å; L290-W295 HydrophobicContact CG-CZ2 4.23Å; L290-W295 PolarHBondContact O-N 2.79Å
291L93.5Very high92.7Very high1 Ų149.3 Ų49.31%0.00526%0.259CS..Iπ-helixtrans-55.9-48.7177.1179.662.3000111.1A205 Y226 L228 V287 M288 K289 W295 S296 V301A205-L291 HydrophobicContact CB-CD1 3.51Å; Y226-L291 HydrophobicContact CD1-CD1 4.32Å; Y226-L291 HydrophobicContact CD1-CD2 4.35Å; Y226-L291 HydrophobicContact CD2-CD1 4.48Å; Y226-L291 HydrophobicContact CE1-CD1 4.14Å; Y226-L291 HydrophobicContact CE2-CD1 4.3Å; Y226-L291 HydrophobicContact CG-CD2 4.19Å; L228-L291 HydrophobicContact CD1-CD2 3.79Å; L228-L291 HydrophobicContact CD2-CD2 4.43Å; V287-L291 PolarHBondContact O-N 3.13Å; M288-L291 PolarHBondContact O-N 2.71Å; K289-L291 PolarHBondContact O-N 2.89Å; L291-W295 HydrophobicContact CB-CE3 4.12Å; L291-W295 HydrophobicContact CD1-CB 4.47Å; L291-W295 HydrophobicContact CD1-CE3 4.23Å; L291-S296 CarbonylContact O-C 3.47Å; L291-S296 PolarHBondContact O-N 3.31Å; L291-V301 HydrophobicContact CD2-CG1 4.14Å; L291-V301 HydrophobicContact CD2-CG2 4.31Å; L291-V301 HydrophobicContact CG-CG2 4.47Å
292T93.1Very high92.7Very high24 Ų2447.4 Ų47.415%0.14725%0.248CC..Iπ-helixtrans-80.8-19.2-175.552.70000114.8M288 K289 L290 P297 V301 R321M288-T292 PolarHBondContact O-N 3.25Å; M288-T292 PolarHBondContact O-OG1 3Å; K289-T292 PolarHBondContact O-N 3.43Å; K289-T292 PolarHBondContact O-OG1 3.08Å; L290-T292 VanDerWaalsContact C-N 3.31Å; L290-T292 PolarHBondContact O-N 3.03Å; T292-P297 WeakPolarHBondContact O-CA 3.28Å; T292-V301 HydrophobicContact CG2-CB 3.99Å; T292-V301 HydrophobicContact CG2-CG1 4.39Å; T292-V301 HydrophobicContact CG2-CG2 3.67Å; T292-R321 PolarHBondContact OG1-NH1 3.35Å
293T92.3Very high92.6Very high74 Ų7445.3 Ų45.345%0.45424%0.241SC..Iπ-helixtrans-111.7-26.1-177650000114.3K289 L290K289-T293 HydrophobicContact CG-CG2 4.21Å; K289-T293 WeakPolarHBondContact O-CB 3.45Å; K289-T293 WeakPolarHBondContact O-CG2 3.31Å; K289-T293 PolarHBondContact O-N 2.93Å; K289-T293 PolarHBondContact O-OG1 2.81Å; L290-T293 PolarHBondContact O-N 2.99Å
294L92.5Very high92.3Very high92 Ų9244 Ų4448%0.48223%0.226SC..Iπ-helixtrans-128.2-42.7-168.8-174.863.1000113.3D5 L290D5-L294 WeakPolarHBondContact OD2-CD2 3.4Å; L290-L294 HydrophobicContact CD2-CD2 4.27Å; L290-L294 WeakPolarHBondContact O-CA 3.41Å; L290-L294 WeakPolarHBondContact O-CB 3.48Å; L290-L294 PolarHBondContact O-N 2.85Å
295W94.7Very high91.6Very high3 Ų348.4 Ų48.41%0.01124%0.244CC..Iπ-helixtrans-87.6-41-172.2-53.2-20.5000113.1D5 L8 R202 A205 K206 E209 V287 L290 L291D5-W295 PolarHBondContact OD1-NE1 2.62Å; L8-W295 HydrophobicContact CD1-CH2 3.63Å; L8-W295 HydrophobicContact CD1-CZ2 3.37Å; R202-W295 HydrophobicContact CB-CD2 4.26Å; R202-W295 HydrophobicContact CB-CE3 4.13Å; R202-W295 HydrophobicContact CB-CH2 3.92Å; R202-W295 HydrophobicContact CB-CZ2 4.06Å; R202-W295 HydrophobicContact CB-CZ3 3.96Å; R202-W295 HydrophobicContact CG-CD2 4Å; R202-W295 HydrophobicContact CG-CE3 4.39Å; R202-W295 HydrophobicContact CG-CG 4.45Å; R202-W295 HydrophobicContact CG-CH2 4.31Å; R202-W295 HydrophobicContact CG-CZ2 3.93Å; A205-W295 CarbonylContact C-O 3.45Å; A205-W295 HydrophobicContact CB-CB 3.71Å; K206-W295 HydrophobicContact CG-CB 4.49Å; E209-W295 WeakPolarHBondContact CB-O 3.28Å; V287-W295 HydrophobicContact CB-CH2 3.71Å; V287-W295 HydrophobicContact CB-CZ3 3.96Å; V287-W295 HydrophobicContact CG1-CH2 3.75Å; V287-W295 HydrophobicContact CG1-CZ3 4.44Å; L290-W295 HydrophobicContact CB-CD2 3.99Å; L290-W295 HydrophobicContact CB-CE3 4.46Å; L290-W295 HydrophobicContact CB-CH2 4.21Å; L290-W295 HydrophobicContact CB-CZ2 3.69Å; L290-W295 HydrophobicContact CD1-CH2 4.2Å; L290-W295 HydrophobicContact CD1-CZ2 3.42Å; L290-W295 VanDerWaalsContact CD1-CZ2 3.42Å; L290-W295 HydrophobicContact CG-CZ2 4.23Å; L290-W295 PolarHBondContact O-N 2.79Å; L291-W295 HydrophobicContact CB-CE3 4.12Å; L291-W295 HydrophobicContact CD1-CB 4.47Å; L291-W295 HydrophobicContact CD1-CE3 4.23Å
296S95Very high90.8Very high0 Ų052 Ų520%027%0.266CS..  trans-147.569.2174.4-169.10000111.3E209 Y226 L291 S298 S299E209-S296 WeakPolarHBondContact OE2-CA 3.45Å; E209-S296 WeakPolarHBondContact OE2-CB 3.25Å; E209-S296 PolarHBondContact OE2-OG 3.45Å; Y226-S296 PolarHBondContact OH-OG 2.92Å; L291-S296 CarbonylContact O-C 3.47Å; L291-S296 PolarHBondContact O-N 3.31Å; S296-S298 PolarHBondContact O-N 2.84Å; S296-S299 WeakPolarHBondContact O-CB 3.15Å; S296-S299 PolarHBondContact O-N 2.87Å; S296-S299 PolarHBondContact O-OG 3.02Å; S296-S299 WeakPolarHBondContact OG-CB 3.2Å; S296-S299 PolarHBondContact OG-OG 2.94Å
297P94.5Very high89.8Confident58 Ų5847.3 Ų47.338%0.37725%0.247SC..THydrogen-bonded Turntrans-62.8-22.8-177.726.9-36.3000113.8T292 S299T292-P297 WeakPolarHBondContact O-CA 3.28Å; P297-S299 PolarHBondContact O-N 3.48Å
298S92.7Very high88.4Confident47 Ų4758.7 Ų58.733%0.32929%0.289SS..THydrogen-bonded Turntrans-83.71.1-178.9-50.30000113.8E209 H212 S296E209-S298 WeakPolarHBondContact OE1-CB 3.29Å; E209-S298 PolarHBondContact OE1-OG 2.91Å; E209-S298 PolarHBondContact OE2-N 3.08Å; H212-S298 WeakPolarHBondContact CD2-CB 3.17Å; H212-S298 PolarHBondContact CD2-OG 3.47Å; H212-S298 WeakPolarHBondContact NE2-CB 3.18Å; H212-S298 PolarHBondContact NE2-OG 2.82Å; S296-S298 PolarHBondContact O-N 2.84Å
299S94.6Very high86.5Confident4 Ų458.5 Ų58.53%0.02829%0.293CS..SBendtrans-97.7150.9-173.170.60000114.1L224 Y226 S296 P297L224-S299 CarbonylContact O-C 3.51Å; L224-S299 VanDerWaalsContact O-CA 3.32Å; L224-S299 WeakPolarHBondContact O-CA 3.41Å; Y226-S299 VanDerWaalsContact CD2-OG 3.25Å; Y226-S299 WeakPolarHBondContact CD2-OG 3.35Å; Y226-S299 WeakPolarHBondContact CE2-OG 3.3Å; S296-S299 WeakPolarHBondContact O-CB 3.15Å; S296-S299 PolarHBondContact O-N 2.87Å; S296-S299 PolarHBondContact O-OG 3.02Å; S296-S299 WeakPolarHBondContact OG-CB 3.2Å; S296-S299 PolarHBondContact OG-OG 2.94Å; P297-S299 PolarHBondContact O-N 3.48Å
300Y95.1Very high85Confident79 Ų7959.9 Ų59.931%0.3130%0.299SS..EExtended strand (participates in β ladder)trans-85.9125.2168.4-177.4-100.1000110.4L224 S225 Y226 I302 I320L224-Y300 PolarHBondContact O-N 2.7Å; S225-Y300 CarbonylContact C-O 3.44Å; S225-Y300 WeakPolarHBondContact CA-O 3.08Å; Y226-Y300 PolarHBondContact N-O 3.18Å; Y300-I302 HydrophobicContact CD1-CD1 4.19Å; Y300-I302 HydrophobicContact CD1-CG1 3.87Å; Y300-I302 HydrophobicContact CE1-CD1 3.72Å; Y300-I302 HydrophobicContact CE1-CG1 3.38Å; Y300-I320 HydrophobicContact CE2-CG2 3.56Å; Y300-I320 VanDerWaalsContact CZ-CG2 3.46Å; Y300-I320 WeakPolarHBondContact OH-CG2 3.4Å
301V95.9Very high83Confident1 Ų164.6 Ų64.61%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-115.7123.6-174.2-176.40000111.3Y226 L228 M288 L291 T292 R321Y226-V301 HydrophobicContact CD2-CG2 4.09Å; L228-V301 HydrophobicContact CD1-CG1 3.88Å; L228-V301 HydrophobicContact CG-CG1 4.47Å; M288-V301 HydrophobicContact CE-CG1 3.54Å; L291-V301 HydrophobicContact CD2-CG1 4.14Å; L291-V301 HydrophobicContact CD2-CG2 4.31Å; L291-V301 HydrophobicContact CG-CG2 4.47Å; T292-V301 HydrophobicContact CG2-CB 3.99Å; T292-V301 HydrophobicContact CG2-CG1 4.39Å; T292-V301 HydrophobicContact CG2-CG2 3.67Å; V301-R321 PolarHBondContact N-O 3.44Å; V301-R321 PolarHBondContact O-N 3.48Å; V301-R321 VanDerWaalsContact O-N 3.08Å
302I94.5Very high81.1Confident16 Ų1671.4 Ų71.48%0.08236%0.358CS..EExtended strand (participates in β ladder)trans-110.4126.6173-57166.1000108Y226 Y227 L228 Y300 F304 M318Y226-I302 PolarHBondContact O-N 3.1Å; Y227-I302 HydrophobicContact CD2-CB 4.47Å; Y227-I302 HydrophobicContact CD2-CD1 4.02Å; Y227-I302 HydrophobicContact CD2-CG2 4.29Å; L228-I302 WeakPolarHBondContact CB-O 3.36Å; L228-I302 PolarHBondContact N-O 3.4Å; Y300-I302 HydrophobicContact CD1-CD1 4.19Å; Y300-I302 HydrophobicContact CD1-CG1 3.87Å; Y300-I302 HydrophobicContact CE1-CD1 3.72Å; Y300-I302 HydrophobicContact CE1-CG1 3.38Å; I302-F304 HydrophobicContact CG2-CE2 3.79Å; I302-F304 HydrophobicContact CG2-CZ 4.05Å; I302-M318 HydrophobicContact CB-CE 4.34Å; I302-M318 HydrophobicContact CD1-CE 4.17Å; I302-M318 HydrophobicContact CG1-CE 4.02Å; I302-M318 HydrophobicContact CG2-CE 3.43Å; I302-M318 VanDerWaalsContact CG2-CE 3.43Å; I302-M318 HydrophobicContact CG2-CG 4.16Å
303S90.9Very high79.1Confident24 Ų2472.5 Ų72.517%0.16836%0.363CS..EExtended strand (participates in β ladder)trans-122.6148.517559.40000112.4L319S303-L319 PolarHBondContact N-O 2.98Å; S303-L319 WeakPolarHBondContact OG-CB 3.45Å; S303-L319 PolarHBondContact OG-O 3.46Å
304F87.9Confident77.1Confident66 Ų6678.5 Ų78.529%0.28938%0.383SS..  trans-108.3141.4178.5-69.5-89.9000110.8Y227 L228 I302Y227-F304 AromaticContact CD1-CE2 3.79Å; Y227-F304 HydrophobicContact CD1-CE2 3.79Å; Y227-F304 AromaticContact CD2-CE2 3.89Å; Y227-F304 HydrophobicContact CD2-CE2 3.89Å; Y227-F304 HydrophobicContact CD2-CZ 4.18Å; Y227-F304 HydrophobicContact CE1-CD2 4.26Å; Y227-F304 AromaticContact CE1-CE2 3.39Å; Y227-F304 HydrophobicContact CE1-CE2 3.39Å; Y227-F304 AromaticContact CE1-CZ 3.76Å; Y227-F304 HydrophobicContact CE1-CZ 3.76Å; Y227-F304 AromaticContact CE2-CE2 3.51Å; Y227-F304 HydrophobicContact CE2-CE2 3.51Å; Y227-F304 AromaticContact CE2-CZ 3.37Å; Y227-F304 HydrophobicContact CE2-CZ 3.37Å; Y227-F304 HydrophobicContact CG-CE2 4.03Å; Y227-F304 AromaticContact CZ-CE2 3.23Å; Y227-F304 AromaticContact CZ-CZ 3.11Å; Y227-F304 WeakPolarHBondContact OH-CZ 3.49Å; L228-F304 WeakPolarHBondContact O-CD2 3.38Å; L228-F304 PolarHBondContact O-N 2.9Å; I302-F304 HydrophobicContact CG2-CE2 3.79Å; I302-F304 HydrophobicContact CG2-CZ 4.05Å
305K78Confident74.8Confident102 Ų10279.2 Ų79.244%0.44339%0.391SS..  trans-117.4118.7171.2-164.3173.9-175.8173.30108.1L307 N316K305-L307 HydrophobicContact CD-CD1 4.29Å; K305-L307 HydrophobicContact CG-CD1 4.39Å; K305-L307 HydrophobicContact CG-CD2 4.43Å; K305-L307 HydrophobicContact CG-CG 4.18Å; K305-N316 HydrophobicContact CD-CB 3.8Å; K305-N316 PolarHBondContact NZ-ND2 3.01Å
306V72.7Confident72.1Confident117 Ų11782.8 Ų82.871%0.70941%0.41SS*.  trans-90.6123.7175.8-178.90000108
307L67.6Low69.6Low48 Ų4889.5 Ų89.525%0.25144%0.437SS..  trans-131.9127.8179.1-66.4167.9000108.3K305 Y312 L313K305-L307 HydrophobicContact CD-CD1 4.29Å; K305-L307 HydrophobicContact CG-CD1 4.39Å; K305-L307 HydrophobicContact CG-CD2 4.43Å; K305-L307 HydrophobicContact CG-CG 4.18Å; L307-Y312 VanDerWaalsContact CD1-O 3.3Å; L307-Y312 WeakPolarHBondContact CD1-O 3.29Å; L307-L313 HydrophobicContact CB-CD1 4.42Å
308R61Low67.4Low253 Ų25391 Ų9196%0.95544%0.44SS*.SBendtrans-83.3-28.9175.2-69.9-170.7-170.8170.72.7112.8
309C48.6Very low65.4Low61 Ų6194.2 Ų94.241%0.41245%0.453SS..SBendtrans-93121.7-176.9-176.30000110.7C311 Y312C309-C311 PolarHBondContact O-N 3.22Å; C309-C311 VanDerWaalsContact O-N 3.11Å; C309-Y312 HydrophobicContact CB-CD2 3.99Å; C309-Y312 PolarHBondContact O-N 3.02Å; C309-Y312 VanDerWaalsContact O-N 3.12Å
310K58.1Low63.5Low181 Ų18198.2 Ų98.279%0.78747%0.473SS*.G310 helixtrans-54.6-27.3178.4-71.8-176.5178.4178.10113.7Y312 L313K310-Y312 VanDerWaalsContact C-N 3.26Å; K310-Y312 PolarHBondContact O-N 3.46Å; K310-L313 WeakPolarHBondContact O-CB 3.4Å; K310-L313 PolarHBondContact O-N 3.31Å
311C50.5Low61.6Low105 Ų105100.2 Ų100.271%0.70948%0.48SS*.G310 helixtrans-65.3-28.8-179.7-55.10000113.2C309C309-C311 PolarHBondContact O-N 3.22Å; C309-C311 VanDerWaalsContact O-N 3.11Å
312Y54Low59.2Low145 Ų145104.2 Ų104.257%0.56951%0.508SS*.G310 helixtrans-89.8-9.2-178.7-71.5-83.9000113.7L307 C309 K310 F314L307-Y312 VanDerWaalsContact CD1-O 3.3Å; L307-Y312 WeakPolarHBondContact CD1-O 3.29Å; C309-Y312 HydrophobicContact CB-CD2 3.99Å; C309-Y312 PolarHBondContact O-N 3.02Å; C309-Y312 VanDerWaalsContact O-N 3.12Å; K310-Y312 VanDerWaalsContact C-N 3.26Å; K310-Y312 PolarHBondContact O-N 3.46Å; Y312-F314 PolarHBondContact O-N 3.08Å
313L50.3Low56.8Low47 Ų47109.1 Ų109.125%0.24655%0.55CS.*G310 helixtrans-59.1-51.2-175.2-10393.2000110.8L307 K310 T315 Y317L307-L313 HydrophobicContact CB-CD1 4.42Å; K310-L313 WeakPolarHBondContact O-CB 3.4Å; K310-L313 PolarHBondContact O-N 3.31Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 3.1Å; L313-Y317 VanDerWaalsContact C-CE2 3.44Å; L313-Y317 HydrophobicContact CB-CE2 3.54Å; L313-Y317 HydrophobicContact CD2-CE2 3.57Å; L313-Y317 WeakPolarHBondContact CD2-OH 3.5Å; L313-Y317 HydrophobicContact CG-CE2 3.47Å; L313-Y317 VanDerWaalsContact CG-CE2 3.47Å; L313-Y317 WeakPolarHBondContact CG-OH 3.32Å; L313-Y317 WeakPolarHBondContact O-CD2 3Å; L313-Y317 WeakPolarHBondContact O-CE2 3.45Å
314F50.4Low55.1Low200 Ų200113.4 Ų113.488%0.87757%0.57SS**G310 helixtrans-71.9-15.9-171.2-78.7-83.3000115.6Y312Y312-F314 PolarHBondContact O-N 3.08Å
315T43.7Very low53.4Low106 Ų106115.8 Ų115.865%0.6558%0.584SS**G310 helixtrans-91-11.7-174.8-24.50000113.4L313L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 3.1Å
316N38.2Very low52Low79 Ų79116.6 Ų116.642%0.42259%0.592SS.*  trans-155.579.4-174.9-73.7-76.6000112.2K305K305-N316 HydrophobicContact CD-CB 3.8Å; K305-N316 PolarHBondContact NZ-ND2 3.01Å
317Y43.2Very low50.8Low141 Ų141116.6 Ų116.655%0.55359%0.585SS**  trans-113.9132.9170.1-93.5-62.7000113.7L313L313-Y317 VanDerWaalsContact C-CE2 3.44Å; L313-Y317 HydrophobicContact CB-CE2 3.54Å; L313-Y317 HydrophobicContact CD2-CE2 3.57Å; L313-Y317 WeakPolarHBondContact CD2-OH 3.5Å; L313-Y317 HydrophobicContact CG-CE2 3.47Å; L313-Y317 VanDerWaalsContact CG-CE2 3.47Å; L313-Y317 WeakPolarHBondContact CG-OH 3.32Å; L313-Y317 WeakPolarHBondContact O-CD2 3Å; L313-Y317 WeakPolarHBondContact O-CE2 3.45Å
318M48.2Very low49.7Very low88 Ų88120.9 Ų120.943%0.43361%0.606SS.*  trans43.794.1173.7-159.3-177.2170.200113.6I302 I320I302-M318 HydrophobicContact CB-CE 4.34Å; I302-M318 HydrophobicContact CD1-CE 4.17Å; I302-M318 HydrophobicContact CG1-CE 4.02Å; I302-M318 HydrophobicContact CG2-CE 3.43Å; I302-M318 VanDerWaalsContact CG2-CE 3.43Å; I302-M318 HydrophobicContact CG2-CG 4.16Å; M318-I320 VanDerWaalsContact C-N 3.31Å; M318-I320 HydrophobicContact CE-CD1 3.68Å; M318-I320 HydrophobicContact CE-CG1 3.64Å; M318-I320 HydrophobicContact CG-CD1 4.36Å; M318-I320 HydrophobicContact CG-CG1 3.91Å; M318-I320 PolarHBondContact O-N 3.35Å; M318-I320 HydrophobicContact SD-CD1 3.86Å; M318-I320 HydrophobicContact SD-CG1 4Å
319L50Low49Very low116 Ų116112.1 Ų112.161%0.60758%0.583SS**EExtended strand (participates in β ladder)trans-76.794.9170-147.3152.6000107S303 R321S303-L319 PolarHBondContact N-O 2.98Å; S303-L319 WeakPolarHBondContact OG-CB 3.45Å; S303-L319 PolarHBondContact OG-O 3.46Å; L319-R321 HydrophobicContact CD2-CB 4.33Å
320I54.9Low49Very low87 Ų87115.7 Ų115.745%0.44660%0.595SS.*EExtended strand (participates in β ladder)trans-82118.1166.2-71.9172.9000106.6Y300 M318Y300-I320 HydrophobicContact CE2-CG2 3.56Å; Y300-I320 VanDerWaalsContact CZ-CG2 3.46Å; Y300-I320 WeakPolarHBondContact OH-CG2 3.4Å; M318-I320 VanDerWaalsContact C-N 3.31Å; M318-I320 HydrophobicContact CE-CD1 3.68Å; M318-I320 HydrophobicContact CE-CG1 3.64Å; M318-I320 HydrophobicContact CG-CD1 4.36Å; M318-I320 HydrophobicContact CG-CG1 3.91Å; M318-I320 PolarHBondContact O-N 3.35Å; M318-I320 HydrophobicContact SD-CD1 3.86Å; M318-I320 HydrophobicContact SD-CG1 4Å
321R54.9Low48.3Very low122 Ų122110.7 Ų110.746%0.4658%0.58SS.*EExtended strand (participates in β ladder)trans-117.6114.1166.3-152.6175.8-175.7-170.6-0.2107.9T292 V301 L319T292-R321 PolarHBondContact OG1-NH1 3.35Å; V301-R321 PolarHBondContact N-O 3.44Å; V301-R321 PolarHBondContact O-N 3.48Å; V301-R321 VanDerWaalsContact O-N 3.08Å; L319-R321 HydrophobicContact CD2-CB 4.33Å
322S44.8Very low48.1Very low84 Ų84111.2 Ų111.259%0.58757%0.57SS**  trans-76.3152.9162.677.60000109.1
323A44.6Very low47.6Very low119 Ų119108.1 Ų108.198%0.98357%0.57SS**  trans-570157.500000110.2

Retrieved 323 of 323 residues in 152.2 ms (Link to these results)

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