A0A087XWR8_POEFO Loading...

UV excision repair protein RAD23

Multiubiquitin chain receptor involved in modulation of proteasomal degradation. Involved in nucleotide excision repair.

AlphaFold DB , UniProt , Accession A0A087XWR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 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
1M85.4Confident87.8Confident50 Ų5060 Ų6025%0.24629%0.294CS..  0135.10179.6-155158.700107.1I3 D16 I17 E19 I64 E66M1-I3 HydrophobicContact CE-CG1 4.04Å; M1-I3 PolarHBondContact O-N 2.62Å; M1-I3 HydrophobicContact SD-CG1 4.24Å; M1-D16 PolarHBondContact N-OD2 2.84Å; M1-D16 WeakPolarHBondContact O-CA 2.92Å; M1-I17 CarbonylContact C-O 3.55Å; M1-I17 WeakPolarHBondContact CA-O 3.31Å; M1-I17 WeakPolarHBondContact CB-O 3.38Å; M1-I17 PolarHBondContact N-O 3.44Å; M1-I17 PolarHBondContact O-N 3.11Å; M1-E19 HydrophobicContact SD-CB 4.36Å; M1-I64 HydrophobicContact CE-CB 4.16Å; M1-I64 HydrophobicContact CE-CG2 4.12Å; M1-I64 WeakPolarHBondContact CE-O 3.3Å; M1-E66 HydrophobicContact CE-CG 3.64Å; M1-E66 HydrophobicContact CG-CG 3.9Å; M1-E66 WeakPolarHBondContact CG-OE1 3.43Å
2L84.8Confident87.9Confident67 Ų6762.6 Ų62.635%0.35132%0.316SS..EExtended strand (participates in β ladder)trans-9796.1-170.5-164.267.7000111.9K14 D16 E66L2-K14 HydrophobicContact CD1-CB 3.93Å; L2-K14 HydrophobicContact CD2-CB 4.48Å; L2-K14 HydrophobicContact CD2-CD 3.64Å; L2-K14 HydrophobicContact CG-CB 4.06Å; L2-K14 HydrophobicContact CG-CD 3.99Å; L2-D16 HydrophobicContact CD1-CB 4.06Å; L2-E66 PolarHBondContact N-OE1 3.15Å
3I89.6Confident88.1Confident1 Ų160.4 Ų60.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-85.4123.6-179.3-57.2-178.2000110M1 L5 K14 I15 I17 L26 L59 I64 V70M1-I3 HydrophobicContact CE-CG1 4.04Å; M1-I3 PolarHBondContact O-N 2.62Å; M1-I3 HydrophobicContact SD-CG1 4.24Å; I3-L5 HydrophobicContact CG2-CG 4.32Å; I3-K14 WeakPolarHBondContact O-CA 3.33Å; I3-I15 PolarHBondContact N-O 3.41Å; I3-I15 PolarHBondContact O-N 3.45Å; I3-I17 HydrophobicContact CD1-CG2 3.57Å; I3-I17 HydrophobicContact CG1-CG2 4.15Å; I3-L26 HydrophobicContact CD1-CD2 4.12Å; I3-L59 HydrophobicContact CD1-CD1 4.06Å; I3-L59 HydrophobicContact CD1-CD2 4.31Å; I3-I64 HydrophobicContact CD1-CD1 4.22Å; I3-I64 HydrophobicContact CG2-CG2 4.25Å; I3-V70 HydrophobicContact CG2-CG2 3.74Å
4T91.3Very high88.3Confident24 Ų2465.5 Ų65.515%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-82.5122.4170.9-55.50000109.7T12 F69 V70T4-T12 HydrophobicContact CG2-CG2 4.14Å; T4-F69 HydrophobicContact CG2-CB 4.16Å; T4-F69 CarbonylContact O-C 3.44Å; T4-F69 VanDerWaalsContact O-CA 3.23Å; T4-F69 WeakPolarHBondContact O-CA 3.42Å; T4-V70 PolarHBondContact O-N 3.49Å
5L91.8Very high88.4Confident0 Ų061.5 Ų61.50%030%0.303CS..EExtended strand (participates in β ladder)trans-110.8133.7177.7-72.7136000110.1I3 T12 F13 I15 L26 I30 L46 V70 L72I3-L5 HydrophobicContact CG2-CG 4.32Å; L5-T12 CarbonylContact O-C 3.55Å; L5-T12 VanDerWaalsContact O-CA 3.23Å; L5-T12 WeakPolarHBondContact O-CA 3.38Å; L5-F13 HydrophobicContact CB-CD1 4.48Å; L5-F13 HydrophobicContact CB-CD2 4.43Å; L5-F13 HydrophobicContact CB-CE1 4.13Å; L5-F13 HydrophobicContact CB-CE2 4.08Å; L5-F13 HydrophobicContact CB-CZ 3.92Å; L5-F13 HydrophobicContact CD1-CD2 4.43Å; L5-F13 HydrophobicContact CD1-CE2 3.87Å; L5-F13 HydrophobicContact CD1-CZ 4.32Å; L5-F13 PolarHBondContact N-O 3.37Å; L5-F13 PolarHBondContact O-N 3.37Å; L5-I15 HydrophobicContact CD1-CB 3.76Å; L5-I15 HydrophobicContact CD1-CG1 3.38Å; L5-L26 HydrophobicContact CD1-CD1 4.27Å; L5-I30 HydrophobicContact CD1-CD1 3.89Å; L5-I30 HydrophobicContact CD1-CG1 3.95Å; L5-I30 HydrophobicContact CD2-CD1 3.64Å; L5-I30 HydrophobicContact CG-CD1 4.41Å; L5-L46 HydrophobicContact CD2-CD2 3.36Å; L5-V70 CarbonylContact C-O 3.53Å; L5-V70 WeakPolarHBondContact CA-O 3.35Å; L5-V70 HydrophobicContact CD2-CB 4.03Å; L5-V70 HydrophobicContact CD2-CG1 4.29Å; L5-L72 HydrophobicContact CD2-CB 4.42Å
6K91.8Very high88.4Confident52 Ų5264.3 Ų64.323%0.22632%0.319CS..EExtended strand (participates in β ladder)trans-118.4116.8177.8-174.7171.7-178.6-176.40110.1Q11 T12 F69 V70 V71 L72K6-Q11 WeakPolarHBondContact CA-O 3.39Å; K6-T12 HydrophobicContact CB-CG2 3.7Å; K6-T12 HydrophobicContact CD-CG2 4.24Å; K6-T12 HydrophobicContact CG-CG2 3.87Å; K6-F69 HydrophobicContact CB-CB 4.36Å; K6-F69 HydrophobicContact CB-CD2 3.82Å; K6-F69 HydrophobicContact CB-CG 4.29Å; K6-F69 HydrophobicContact CD-CD2 4.05Å; K6-F69 HydrophobicContact CD-CE2 4.04Å; K6-V70 PolarHBondContact N-O 2.89Å; K6-V71 CarbonylContact O-C 3.35Å; K6-V71 WeakPolarHBondContact O-CA 3.49Å; K6-L72 PolarHBondContact O-N 2.96Å
7T90.1Very high88.3Confident5 Ų561.2 Ų61.23%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-73.1161.5176.371.60000111.6Q9 Q10 Q11 F13 F39 L72T7-Q9 PolarHBondContact O-N 3.33Å; T7-Q9 PolarHBondContact OG1-N 3.35Å; T7-Q10 PolarHBondContact O-N 3.34Å; T7-Q11 HydrophobicContact CG2-CB 4.41Å; T7-Q11 PolarHBondContact N-O 3.28Å; T7-Q11 PolarHBondContact OG1-N 2.75Å; T7-Q11 PolarHBondContact OG1-O 2.96Å; T7-F13 HydrophobicContact CG2-CD1 4.38Å; T7-F13 HydrophobicContact CG2-CE1 3.75Å; T7-F39 HydrophobicContact CG2-CE1 4Å; T7-F39 HydrophobicContact CG2-CZ 3.84Å; T7-L72 WeakPolarHBondContact CA-O 3.33Å
8L85.9Confident88.2Confident126 Ų12663.9 Ų63.966%0.6632%0.32SS*.THydrogen-bonded Turntrans-54.1-33.6169.3-159.286000112.2Q10 L72L8-Q10 PolarHBondContact O-N 2.94Å; L8-L72 PolarHBondContact N-O 3.49Å
9Q83.3Confident88Confident117 Ų11765.8 Ų65.855%0.54733%0.327SS..THydrogen-bonded Turntrans-73.715.4176-56.9167.424.500113.3T7 Q11T7-Q9 PolarHBondContact O-N 3.33Å; T7-Q9 PolarHBondContact OG1-N 3.35Å; Q9-Q11 PolarHBondContact O-N 3.11Å
10Q84.7Confident87.8Confident132 Ų13269.1 Ų69.162%0.61734%0.342SS*.SBendtrans651.7-179-136.884.5143.700115.9T7 L8 T12T7-Q10 PolarHBondContact O-N 3.34Å; L8-Q10 PolarHBondContact O-N 2.94Å; Q10-T12 PolarHBondContact O-N 3.41Å
11Q86.6Confident87.9Confident86 Ų8669.4 Ų69.440%0.40234%0.343SS..  trans-73.9124.5176.5-62.1-176.28.400110.7K6 T7 Q9K6-Q11 WeakPolarHBondContact CA-O 3.39Å; T7-Q11 HydrophobicContact CG2-CB 4.41Å; T7-Q11 PolarHBondContact N-O 3.28Å; T7-Q11 PolarHBondContact OG1-N 2.75Å; T7-Q11 PolarHBondContact OG1-O 2.96Å; Q9-Q11 PolarHBondContact O-N 3.11Å
12T89.3Confident88.1Confident91 Ų9169.2 Ų69.256%0.55834%0.344SS*.EExtended strand (participates in β ladder)trans-99.2135.9169.428.60000111.8T4 L5 K6 Q10T4-T12 HydrophobicContact CG2-CG2 4.14Å; L5-T12 CarbonylContact O-C 3.55Å; L5-T12 VanDerWaalsContact O-CA 3.23Å; L5-T12 WeakPolarHBondContact O-CA 3.38Å; K6-T12 HydrophobicContact CB-CG2 3.7Å; K6-T12 HydrophobicContact CD-CG2 4.24Å; K6-T12 HydrophobicContact CG-CG2 3.87Å; Q10-T12 PolarHBondContact O-N 3.41Å
13F91.1Very high88.3Confident34 Ų3466 Ų6615%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-139.6164.9169.361.4-82.5000109.5L5 T7 I15 I30 L72L5-F13 HydrophobicContact CB-CD1 4.48Å; L5-F13 HydrophobicContact CB-CD2 4.43Å; L5-F13 HydrophobicContact CB-CE1 4.13Å; L5-F13 HydrophobicContact CB-CE2 4.08Å; L5-F13 HydrophobicContact CB-CZ 3.92Å; L5-F13 HydrophobicContact CD1-CD2 4.43Å; L5-F13 HydrophobicContact CD1-CE2 3.87Å; L5-F13 HydrophobicContact CD1-CZ 4.32Å; L5-F13 PolarHBondContact N-O 3.37Å; L5-F13 PolarHBondContact O-N 3.37Å; T7-F13 HydrophobicContact CG2-CD1 4.38Å; T7-F13 HydrophobicContact CG2-CE1 3.75Å; F13-I15 HydrophobicContact CD2-CD1 4.1Å; F13-I15 HydrophobicContact CD2-CG1 3.94Å; F13-I15 HydrophobicContact CE2-CD1 3.96Å; F13-I15 HydrophobicContact CE2-CG1 3.71Å; F13-I30 HydrophobicContact CE2-CG1 4.29Å; F13-I30 HydrophobicContact CZ-CG1 4.47Å; F13-I30 HydrophobicContact CZ-CG2 4.16Å; F13-L72 HydrophobicContact CE1-CD2 4.24Å; F13-L72 HydrophobicContact CZ-CD2 3.86Å
14K91.2Very high88.4Confident132 Ų13271 Ų7157%0.57435%0.349SS*.EExtended strand (participates in β ladder)trans-116.6134.2-179.5-59-170-178.3-173.40109.5L2 I3L2-K14 HydrophobicContact CD1-CB 3.93Å; L2-K14 HydrophobicContact CD2-CB 4.48Å; L2-K14 HydrophobicContact CD2-CD 3.64Å; L2-K14 HydrophobicContact CG-CB 4.06Å; L2-K14 HydrophobicContact CG-CD 3.99Å; I3-K14 WeakPolarHBondContact O-CA 3.33Å
15I89.7Confident88.4Confident6 Ų671.9 Ų71.93%0.03135%0.354CS..EExtended strand (participates in β ladder)trans-114.7128.7172.7-65.8-68.8000107.4I3 L5 F13 I17 L26 R29 I30 E33I3-I15 PolarHBondContact N-O 3.41Å; I3-I15 PolarHBondContact O-N 3.45Å; L5-I15 HydrophobicContact CD1-CB 3.76Å; L5-I15 HydrophobicContact CD1-CG1 3.38Å; F13-I15 HydrophobicContact CD2-CD1 4.1Å; F13-I15 HydrophobicContact CD2-CG1 3.94Å; F13-I15 HydrophobicContact CE2-CD1 3.96Å; F13-I15 HydrophobicContact CE2-CG1 3.71Å; I15-I17 HydrophobicContact CG2-CB 4.43Å; I15-L26 HydrophobicContact CB-CD1 4.28Å; I15-L26 HydrophobicContact CG2-CD1 3.87Å; I15-R29 HydrophobicContact CG2-CB 4.13Å; I15-R29 HydrophobicContact CG2-CG 3.61Å; I15-I30 HydrophobicContact CG1-CG1 4.12Å; I15-E33 HydrophobicContact CD1-CB 3.77Å; I15-E33 HydrophobicContact CD1-CG 3.86Å
16D87.9Confident88.3Confident105 Ų10571.9 Ų71.956%0.56135%0.354SS*.EExtended strand (participates in β ladder)trans-86126.1165.6-175.3-127.4000109.5M1 L2M1-D16 PolarHBondContact N-OD2 2.84Å; M1-D16 WeakPolarHBondContact O-CA 2.92Å; L2-D16 HydrophobicContact CD1-CB 4.06Å
17I87.4Confident88.1Confident12 Ų1270 Ų706%0.06235%0.346CS..  trans-153.6153.7177-167.1162.4000109.6M1 I3 I15 E21 T25 L26 L59M1-I17 CarbonylContact C-O 3.55Å; M1-I17 WeakPolarHBondContact CA-O 3.31Å; M1-I17 WeakPolarHBondContact CB-O 3.38Å; M1-I17 PolarHBondContact N-O 3.44Å; M1-I17 PolarHBondContact O-N 3.11Å; I3-I17 HydrophobicContact CD1-CG2 3.57Å; I3-I17 HydrophobicContact CG1-CG2 4.15Å; I15-I17 HydrophobicContact CG2-CB 4.43Å; I17-E21 HydrophobicContact CD1-CB 4.09Å; I17-E21 HydrophobicContact CG1-CB 3.96Å; I17-E21 HydrophobicContact CG1-CG 4.3Å; I17-T25 HydrophobicContact CD1-CG2 4.02Å; I17-L26 HydrophobicContact CD1-CB 3.91Å; I17-L26 HydrophobicContact CD1-CD1 4.38Å; I17-L26 HydrophobicContact CG2-CD1 4.17Å; I17-L59 HydrophobicContact CD1-CD1 4.17Å; I17-L59 HydrophobicContact CG1-CD1 4.35Å; I17-L59 HydrophobicContact CG2-CD1 3.77Å
18D86.5Confident88.1Confident110 Ų11074.4 Ų74.459%0.58837%0.366SS*.  trans-73.3148.9175.3-68.7-70.8000112.6E20 E21D18-E20 VanDerWaalsContact C-N 3.3Å; D18-E20 PolarHBondContact O-N 3.05Å; D18-E21 HydrophobicContact CB-CG 4.23Å; D18-E21 WeakPolarHBondContact O-CB 3.47Å; D18-E21 PolarHBondContact O-N 2.95Å
19E84.4Confident88.3Confident100 Ų10074.1 Ų74.147%0.46736%0.357SS..THydrogen-bonded Turntrans-72.5-25.2179.359.8-176.1136.900112.9M1 E21 K60M1-E19 HydrophobicContact SD-CB 4.36Å; E19-E21 PolarHBondContact O-N 3.19Å; E19-K60 WeakPolarHBondContact O-CB 3.31Å; E19-K60 PolarHBondContact O-N 3.42Å
20E84Confident88.5Confident132 Ų13268.6 Ų68.662%0.61733%0.33SS*.THydrogen-bonded Turntrans-73.2-14.5174.1-57.8-76.8120.400112.5D18 K60D18-E20 VanDerWaalsContact C-N 3.3Å; D18-E20 PolarHBondContact O-N 3.05Å; E20-K60 WeakPolarHBondContact OE1-CD 3.05Å; E20-K60 IonicContact OE1-NZ 2.62Å; E20-K60 PolarHBondContact OE1-NZ 3.02Å
21E88.3Confident88.6Confident76 Ų7663.8 Ų63.836%0.35531%0.308SS..SBendtrans-76.8158.7-179.8-84.5-72.3-179.700113.1I17 D18 E19 T25 P58 L59I17-E21 HydrophobicContact CD1-CB 4.09Å; I17-E21 HydrophobicContact CG1-CB 3.96Å; I17-E21 HydrophobicContact CG1-CG 4.3Å; D18-E21 HydrophobicContact CB-CG 4.23Å; D18-E21 WeakPolarHBondContact O-CB 3.47Å; D18-E21 PolarHBondContact O-N 2.95Å; E19-E21 PolarHBondContact O-N 3.19Å; E21-T25 HydrophobicContact CG-CG2 4.27Å; E21-T25 WeakPolarHBondContact OE2-CB 3.08Å; E21-T25 WeakPolarHBondContact OE2-CG2 3.38Å; E21-T25 PolarHBondContact OE2-OG1 3.4Å; E21-P58 WeakPolarHBondContact O-CA 3.28Å; E21-L59 WeakPolarHBondContact O-CG 3.44Å; E21-L59 PolarHBondContact O-N 2.93Å
22T90.6Very high88.6Confident45 Ų4567.3 Ų67.328%0.27632%0.322SS..BIsolated β-bridgetrans-80.9155.7179.665.90000112.7K24 T25 L26T22-K24 PolarHBondContact O-N 3.21Å; T22-T25 WeakPolarHBondContact O-CB 3.48Å; T22-T25 PolarHBondContact O-N 2.94Å; T22-T25 PolarHBondContact OG1-N 3.34Å; T22-T25 PolarHBondContact OG1-OG1 3.01Å; T22-L26 PolarHBondContact O-N 2.9Å; T22-L26 VanDerWaalsContact O-N 3.13Å
23V90Very high88.4Confident0 Ų069.4 Ų69.40%033%0.325CS..Hα-helixtrans-57.7-31.6170.8172.30000111.3L26 K27 L46 L53 N54 T57 L59 Y62V23-L26 WeakPolarHBondContact O-CB 3.11Å; V23-L26 PolarHBondContact O-N 3.32Å; V23-K27 WeakPolarHBondContact O-CG 3.26Å; V23-K27 PolarHBondContact O-N 3.09Å; V23-L46 HydrophobicContact CG1-CD1 3.71Å; V23-L53 HydrophobicContact CG1-CB 3.84Å; V23-L53 HydrophobicContact CG2-CB 3.84Å; V23-L53 HydrophobicContact CG2-CD2 3.8Å; V23-L53 HydrophobicContact CG2-CG 4.44Å; V23-N54 VanDerWaalsContact CB-O 3.27Å; V23-N54 WeakPolarHBondContact CB-O 3.36Å; V23-N54 WeakPolarHBondContact CG2-O 3.38Å; V23-T57 WeakPolarHBondContact CG2-O 3.47Å; V23-T57 PolarHBondContact N-O 3.25Å; V23-L59 HydrophobicContact CG2-CD2 3.79Å; V23-L59 HydrophobicContact CG2-CG 4.46Å; V23-Y62 HydrophobicContact CG2-CD2 4.2Å; V23-Y62 HydrophobicContact CG2-CE2 3.82Å
24K90Very high87.8Confident107 Ų10771.4 Ų71.447%0.46533%0.334SS..Hα-helixtrans-58.3-48.3170.4-173.5-173.8171-168.60112.3T22 L26 K27 E28 D55T22-K24 PolarHBondContact O-N 3.21Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 PolarHBondContact O-N 3.15Å; K24-K27 WeakPolarHBondContact O-CB 3.36Å; K24-K27 PolarHBondContact O-N 2.91Å; K24-K27 VanDerWaalsContact O-N 3.12Å; K24-E28 VanDerWaalsContact CE-OE1 3.26Å; K24-E28 WeakPolarHBondContact CE-OE1 3.35Å; K24-E28 PolarHBondContact O-N 3.34Å; K24-D55 HydrophobicContact CB-CB 4.15Å; K24-D55 PolarHBondContact N-O 3.07Å
25T91.2Very high87Confident41 Ų4166.5 Ų66.525%0.25232%0.321SS..Hα-helixtrans-60.8-38.7177.4-45.40000111.1I17 E21 T22 E28 R29I17-T25 HydrophobicContact CD1-CG2 4.02Å; E21-T25 HydrophobicContact CG-CG2 4.27Å; E21-T25 WeakPolarHBondContact OE2-CB 3.08Å; E21-T25 WeakPolarHBondContact OE2-CG2 3.38Å; E21-T25 PolarHBondContact OE2-OG1 3.4Å; T22-T25 WeakPolarHBondContact O-CB 3.48Å; T22-T25 PolarHBondContact O-N 2.94Å; T22-T25 PolarHBondContact OG1-N 3.34Å; T22-T25 PolarHBondContact OG1-OG1 3.01Å; T25-E28 PolarHBondContact O-N 2.88Å; T25-R29 WeakPolarHBondContact O-CB 3.4Å; T25-R29 PolarHBondContact O-N 3.37Å
26L89.4Confident86.2Confident0 Ų072.7 Ų72.70%035%0.348CS..Hα-helixtrans-60.6-45.5172.9179.555.4000111.9I3 L5 I15 I17 T22 V23 K24 E28 R29 I30 L46 L59I3-L26 HydrophobicContact CD1-CD2 4.12Å; L5-L26 HydrophobicContact CD1-CD1 4.27Å; I15-L26 HydrophobicContact CB-CD1 4.28Å; I15-L26 HydrophobicContact CG2-CD1 3.87Å; I17-L26 HydrophobicContact CD1-CB 3.91Å; I17-L26 HydrophobicContact CD1-CD1 4.38Å; I17-L26 HydrophobicContact CG2-CD1 4.17Å; T22-L26 PolarHBondContact O-N 2.9Å; T22-L26 VanDerWaalsContact O-N 3.13Å; V23-L26 WeakPolarHBondContact O-CB 3.11Å; V23-L26 PolarHBondContact O-N 3.32Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 PolarHBondContact O-N 3.15Å; L26-E28 PolarHBondContact O-N 2.86Å; L26-R29 WeakPolarHBondContact O-CB 3.16Å; L26-R29 PolarHBondContact O-N 3.19Å; L26-I30 HydrophobicContact CD1-CD1 3.98Å; L26-I30 HydrophobicContact CD1-CG1 4.27Å; L26-I30 HydrophobicContact CG-CD1 3.86Å; L26-I30 WeakPolarHBondContact O-CD1 3.42Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.35Å; L26-L46 HydrophobicContact CD2-CD1 4.09Å; L26-L46 HydrophobicContact CD2-CD2 4.39Å; L26-L46 HydrophobicContact CG-CD1 4.24Å; L26-L59 HydrophobicContact CB-CD1 4.29Å; L26-L59 HydrophobicContact CB-CD2 4.36Å; L26-L59 HydrophobicContact CD2-CD1 4.45Å; L26-L59 HydrophobicContact CD2-CD2 3.62Å
27K89.5Confident85.1Confident14 Ų1475.7 Ų75.76%0.06136%0.364CS..Hα-helixtrans-61.9-41.8176.5-69.9-177.1172.9-179.80112.9V23 K24 R29 I30 E31 V41 Q44 L46 D55V23-K27 WeakPolarHBondContact O-CG 3.26Å; V23-K27 PolarHBondContact O-N 3.09Å; K24-K27 WeakPolarHBondContact O-CB 3.36Å; K24-K27 PolarHBondContact O-N 2.91Å; K24-K27 VanDerWaalsContact O-N 3.12Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-I30 PolarHBondContact O-N 3.33Å; K27-E31 WeakPolarHBondContact O-CB 3.3Å; K27-E31 PolarHBondContact O-N 3.03Å; K27-V41 HydrophobicContact CB-CB 4.34Å; K27-V41 HydrophobicContact CB-CG1 3.87Å; K27-V41 HydrophobicContact CB-CG2 4.1Å; K27-V41 HydrophobicContact CD-CG1 3.95Å; K27-Q44 VanDerWaalsContact CA-OE1 3.31Å; K27-Q44 HydrophobicContact CD-CB 4.16Å; K27-Q44 WeakPolarHBondContact CE-O 2.88Å; K27-Q44 HydrophobicContact CG-CB 4.25Å; K27-Q44 PolarHBondContact NZ-O 3.24Å; K27-Q44 PolarHBondContact O-NE2 3.24Å; K27-L46 HydrophobicContact CD-CD1 4.46Å; K27-L46 HydrophobicContact CG-CD1 3.56Å; K27-D55 VanDerWaalsContact CD-OD1 3.26Å; K27-D55 WeakPolarHBondContact CD-OD1 3.26Å; K27-D55 WeakPolarHBondContact CE-OD1 3.37Å; K27-D55 IonicContact NZ-OD1 2.73Å; K27-D55 PolarHBondContact NZ-OD1 2.88Å; K27-D55 IonicContact NZ-OD2 2.65Å; K27-D55 PolarHBondContact NZ-OD2 3.49Å
28E90.1Very high84.3Confident96 Ų9679.4 Ų79.445%0.44938%0.383SS..Hα-helixtrans-64.4-37.2175.2-72.4179.5-178.200111.5K24 T25 L26 E31 K32 V41K24-E28 VanDerWaalsContact CE-OE1 3.26Å; K24-E28 WeakPolarHBondContact CE-OE1 3.35Å; K24-E28 PolarHBondContact O-N 3.34Å; T25-E28 PolarHBondContact O-N 2.88Å; L26-E28 PolarHBondContact O-N 2.86Å; E28-E31 PolarHBondContact O-N 3.41Å; E28-K32 WeakPolarHBondContact O-CB 3.48Å; E28-K32 PolarHBondContact O-N 3.42Å; E28-V41 HydrophobicContact CB-CG2 4.5Å; E28-V41 HydrophobicContact CG-CG2 3.81Å
29R89Confident83.8Confident121 Ų12174.4 Ų74.446%0.45736%0.356SS..Hα-helixtrans-66.5-40.7175.2-159.367.5176.3-173-0.9112.2I15 T25 L26 K27 K32 E33I15-R29 HydrophobicContact CG2-CB 4.13Å; I15-R29 HydrophobicContact CG2-CG 3.61Å; T25-R29 WeakPolarHBondContact O-CB 3.4Å; T25-R29 PolarHBondContact O-N 3.37Å; L26-R29 WeakPolarHBondContact O-CB 3.16Å; L26-R29 PolarHBondContact O-N 3.19Å; K27-R29 VanDerWaalsContact C-N 3.32Å; R29-K32 PolarHBondContact O-N 3.45Å; R29-E33 WeakPolarHBondContact O-CB 3.38Å; R29-E33 PolarHBondContact O-N 3.26Å
30I88.6Confident83.7Confident0 Ų071.7 Ų71.70%035%0.348CS..Hα-helixtrans-64.2-42.8172.8-69.2161.6000111.3L5 F13 I15 L26 K27 K32 E33 K34 F39 L46 L72L5-I30 HydrophobicContact CD1-CD1 3.89Å; L5-I30 HydrophobicContact CD1-CG1 3.95Å; L5-I30 HydrophobicContact CD2-CD1 3.64Å; L5-I30 HydrophobicContact CG-CD1 4.41Å; F13-I30 HydrophobicContact CE2-CG1 4.29Å; F13-I30 HydrophobicContact CZ-CG1 4.47Å; F13-I30 HydrophobicContact CZ-CG2 4.16Å; I15-I30 HydrophobicContact CG1-CG1 4.12Å; L26-I30 HydrophobicContact CD1-CD1 3.98Å; L26-I30 HydrophobicContact CD1-CG1 4.27Å; L26-I30 HydrophobicContact CG-CD1 3.86Å; L26-I30 WeakPolarHBondContact O-CD1 3.42Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.35Å; K27-I30 PolarHBondContact O-N 3.33Å; I30-K32 VanDerWaalsContact C-N 3.27Å; I30-K32 PolarHBondContact O-N 2.93Å; I30-E33 PolarHBondContact O-N 2.89Å; I30-K34 WeakPolarHBondContact O-CB 3.35Å; I30-K34 PolarHBondContact O-N 3.31Å; I30-F39 HydrophobicContact CG2-CB 4.1Å; I30-F39 HydrophobicContact CG2-CD1 4.27Å; I30-F39 HydrophobicContact CG2-CG 4.3Å; I30-L46 HydrophobicContact CD1-CD2 3.9Å; I30-L72 HydrophobicContact CD1-CD1 4.43Å; I30-L72 HydrophobicContact CD1-CD2 4.36Å; I30-L72 HydrophobicContact CG2-CD2 3.6Å
31E86.3Confident83.5Confident32 Ų3266.8 Ų66.815%0.1533%0.327CS..Hα-helixtrans-59.1-41.5176-172.3176.7111.700110.7K27 E28 G35 K36 F39 S40 V41K27-E31 WeakPolarHBondContact O-CB 3.3Å; K27-E31 PolarHBondContact O-N 3.03Å; E28-E31 PolarHBondContact O-N 3.41Å; E31-G35 CarbonylContact O-C 3.37Å; E31-G35 VanDerWaalsContact O-CA 3.29Å; E31-G35 WeakPolarHBondContact O-CA 3.23Å; E31-G35 PolarHBondContact O-N 2.82Å; E31-K36 HydrophobicContact CG-CB 3.81Å; E31-K36 HydrophobicContact CG-CG 3.97Å; E31-K36 PolarHBondContact O-N 2.97Å; E31-K36 VanDerWaalsContact OE1-CD 3.32Å; E31-K36 WeakPolarHBondContact OE1-CD 3.46Å; E31-K36 VanDerWaalsContact OE1-CE 3.3Å; E31-K36 WeakPolarHBondContact OE1-CE 3.39Å; E31-K36 WeakPolarHBondContact OE1-CG 3.27Å; E31-K36 IonicContact OE1-NZ 2.7Å; E31-K36 PolarHBondContact OE1-NZ 2.94Å; E31-K36 IonicContact OE2-NZ 2.81Å; E31-F39 WeakPolarHBondContact CB-O 3.16Å; E31-F39 WeakPolarHBondContact CG-O 3.34Å; E31-S40 VanDerWaalsContact OE2-CA 3.29Å; E31-S40 WeakPolarHBondContact OE2-CA 3.39Å; E31-V41 HydrophobicContact CB-CG2 4.21Å; E31-V41 PolarHBondContact OE2-N 3.01Å
32K86.8Confident83.2Confident160 Ų16067.8 Ų67.870%0.69635%0.348SS*.Hα-helixtrans-68.8-42.2178.6-172.7176.2-178.9178.30113.3E28 R29 I30E28-K32 WeakPolarHBondContact O-CB 3.48Å; E28-K32 PolarHBondContact O-N 3.42Å; R29-K32 PolarHBondContact O-N 3.45Å; I30-K32 VanDerWaalsContact C-N 3.27Å; I30-K32 PolarHBondContact O-N 2.93Å
33E84.4Confident82.8Confident134 Ų13466.1 Ų66.163%0.62634%0.34SS*.Hα-helixtrans-80.4-40.5-175.1-165.670.7-178.300112.7I15 R29 I30I15-E33 HydrophobicContact CD1-CB 3.77Å; I15-E33 HydrophobicContact CD1-CG 3.86Å; R29-E33 WeakPolarHBondContact O-CB 3.38Å; R29-E33 PolarHBondContact O-N 3.26Å; I30-E33 PolarHBondContact O-N 2.89Å
34K79.4Confident82.7Confident76 Ų7666.2 Ų66.233%0.3334%0.34SS..Hα-helixtrans-107.9-5-170.7-159.364.7176.3178.80113.8I30 F39I30-K34 WeakPolarHBondContact O-CB 3.35Å; I30-K34 PolarHBondContact O-N 3.31Å; K34-F39 HydrophobicContact CB-CD2 3.7Å; K34-F39 HydrophobicContact CB-CE2 4.07Å; K34-F39 HydrophobicContact CB-CG 4.32Å; K34-F39 HydrophobicContact CD-CE2 4.38Å; K34-F39 HydrophobicContact CG-CD2 3.39Å; K34-F39 HydrophobicContact CG-CE2 3.22Å; K34-F39 HydrophobicContact CG-CG 4.31Å; K34-F39 HydrophobicContact CG-CZ 4Å
35G73.1Confident82.6Confident30 Ų3065.8 Ų65.831%0.30934%0.338SS..  trans97133.4170.800000114.4E31 D37 I38 F39E31-G35 CarbonylContact O-C 3.37Å; E31-G35 VanDerWaalsContact O-CA 3.29Å; E31-G35 WeakPolarHBondContact O-CA 3.23Å; E31-G35 PolarHBondContact O-N 2.82Å; G35-D37 VanDerWaalsContact C-N 3.28Å; G35-D37 PolarHBondContact O-N 3.1Å; G35-I38 PolarHBondContact O-N 3.39Å; G35-F39 PolarHBondContact O-N 3.14Å
36K72.4Confident82.6Confident136 Ų13663.8 Ų63.859%0.59133%0.326SS*.THydrogen-bonded Turntrans-61.5-28-176.4-172.7169.4-165121.40115.5E31 I38 S40E31-K36 HydrophobicContact CG-CB 3.81Å; E31-K36 HydrophobicContact CG-CG 3.97Å; E31-K36 PolarHBondContact O-N 2.97Å; E31-K36 VanDerWaalsContact OE1-CD 3.32Å; E31-K36 WeakPolarHBondContact OE1-CD 3.46Å; E31-K36 VanDerWaalsContact OE1-CE 3.3Å; E31-K36 WeakPolarHBondContact OE1-CE 3.39Å; E31-K36 WeakPolarHBondContact OE1-CG 3.27Å; E31-K36 IonicContact OE1-NZ 2.7Å; E31-K36 PolarHBondContact OE1-NZ 2.94Å; E31-K36 IonicContact OE2-NZ 2.81Å; K36-I38 VanDerWaalsContact C-N 3.35Å; K36-S40 PolarHBondContact O-N 3.25Å
37D66.2Low82.7Confident168 Ų16865.5 Ų65.590%0.89834%0.335SS*.THydrogen-bonded Turntrans-68.3-35.5-177.5-154.3-103.1000112.3G35G35-D37 VanDerWaalsContact C-N 3.28Å; G35-D37 PolarHBondContact O-N 3.1Å
38I69.4Low82.8Confident90 Ų9065.8 Ų65.846%0.46234%0.336SS..THydrogen-bonded Turntrans-99.2-36-179.1-50.7175.8000110.9G35 K36 V74G35-I38 PolarHBondContact O-N 3.39Å; K36-I38 VanDerWaalsContact C-N 3.35Å; I38-V74 WeakPolarHBondContact O-CG1 3.28Å
39F75.9Confident82.6Confident4 Ų465.6 Ų65.62%0.01835%0.351CS..  trans-12258.5-171.2-62.3-84.6000112.7T7 I30 E31 K34 G35 Q44 L72 V74T7-F39 HydrophobicContact CG2-CE1 4Å; T7-F39 HydrophobicContact CG2-CZ 3.84Å; I30-F39 HydrophobicContact CG2-CB 4.1Å; I30-F39 HydrophobicContact CG2-CD1 4.27Å; I30-F39 HydrophobicContact CG2-CG 4.3Å; E31-F39 WeakPolarHBondContact CB-O 3.16Å; E31-F39 WeakPolarHBondContact CG-O 3.34Å; K34-F39 HydrophobicContact CB-CD2 3.7Å; K34-F39 HydrophobicContact CB-CE2 4.07Å; K34-F39 HydrophobicContact CB-CG 4.32Å; K34-F39 HydrophobicContact CD-CE2 4.38Å; K34-F39 HydrophobicContact CG-CD2 3.39Å; K34-F39 HydrophobicContact CG-CE2 3.22Å; K34-F39 HydrophobicContact CG-CG 4.31Å; K34-F39 HydrophobicContact CG-CZ 4Å; G35-F39 PolarHBondContact O-N 3.14Å; F39-Q44 HydrophobicContact CB-CG 4.36Å; F39-Q44 PolarHBondContact O-NE2 3.35Å; F39-L72 HydrophobicContact CD1-CD2 3.53Å; F39-L72 HydrophobicContact CD1-CG 4.14Å; F39-L72 HydrophobicContact CE1-CD2 3.54Å; F39-L72 HydrophobicContact CE1-CG 4.08Å; F39-V74 HydrophobicContact CD1-CG1 3.33Å; F39-V74 HydrophobicContact CE1-CG1 3.67Å; F39-V74 HydrophobicContact CG-CG1 4.17Å
40S82.1Confident82.4Confident44 Ų4463.3 Ų63.331%0.30837%0.365SS..  trans-69.5135.1173-175.50000112.3E31 K36 A42 A43 Q44E31-S40 VanDerWaalsContact OE2-CA 3.29Å; E31-S40 WeakPolarHBondContact OE2-CA 3.39Å; K36-S40 PolarHBondContact O-N 3.25Å; S40-A42 VanDerWaalsContact C-N 3.25Å; S40-A42 PolarHBondContact O-N 3.4Å; S40-A42 VanDerWaalsContact O-N 3.09Å; S40-A43 WeakPolarHBondContact O-CA 3.44Å; S40-A43 WeakPolarHBondContact O-CB 3.49Å; S40-A43 PolarHBondContact O-N 3.48Å; S40-Q44 WeakPolarHBondContact O-CG 3.4Å; S40-Q44 PolarHBondContact O-N 2.7Å; S40-Q44 VanDerWaalsContact O-N 3.07Å
41V81.3Confident82.4Confident28 Ų2870.5 Ų70.517%0.1740%0.396CS..THydrogen-bonded Turntrans-47.4-42.4-177.61760000113.9K27 E28 E31 A43 Q44K27-V41 HydrophobicContact CB-CB 4.34Å; K27-V41 HydrophobicContact CB-CG1 3.87Å; K27-V41 HydrophobicContact CB-CG2 4.1Å; K27-V41 HydrophobicContact CD-CG1 3.95Å; E28-V41 HydrophobicContact CB-CG2 4.5Å; E28-V41 HydrophobicContact CG-CG2 3.81Å; E31-V41 HydrophobicContact CB-CG2 4.21Å; E31-V41 PolarHBondContact OE2-N 3.01Å; V41-A43 VanDerWaalsContact C-N 3.31Å; V41-A43 PolarHBondContact O-N 3.18Å; V41-Q44 PolarHBondContact O-N 3.24Å
42A80.8Confident82.6Confident97 Ų9773.6 Ų73.680%0.80241%0.412SS*.THydrogen-bonded Turntrans-72.2-21.2179.800000114.1S40S40-A42 VanDerWaalsContact C-N 3.25Å; S40-A42 PolarHBondContact O-N 3.4Å; S40-A42 VanDerWaalsContact O-N 3.09Å
43A82.1Confident82.7Confident11 Ų1166.1 Ų66.19%0.09138%0.38CS..THydrogen-bonded Turntrans-91.6-23.4178.800000112.9S40 V41 T75 V77S40-A43 WeakPolarHBondContact O-CA 3.44Å; S40-A43 WeakPolarHBondContact O-CB 3.49Å; S40-A43 PolarHBondContact O-N 3.48Å; V41-A43 VanDerWaalsContact C-N 3.31Å; V41-A43 PolarHBondContact O-N 3.18Å; A43-T75 WeakPolarHBondContact CB-O 3.4Å; A43-T75 PolarHBondContact O-N 2.81Å; A43-V77 HydrophobicContact CB-CG2 3.93Å
44Q87.9Confident82.9Confident2 Ų264.4 Ų64.41%0.00938%0.375CS..EExtended strand (participates in β ladder)trans-72.6130.3-178.9-69.2-179.638.800112K27 F39 S40 V41 L72 V74K27-Q44 VanDerWaalsContact CA-OE1 3.31Å; K27-Q44 HydrophobicContact CD-CB 4.16Å; K27-Q44 WeakPolarHBondContact CE-O 2.88Å; K27-Q44 HydrophobicContact CG-CB 4.25Å; K27-Q44 PolarHBondContact NZ-O 3.24Å; K27-Q44 PolarHBondContact O-NE2 3.24Å; F39-Q44 HydrophobicContact CB-CG 4.36Å; F39-Q44 PolarHBondContact O-NE2 3.35Å; S40-Q44 WeakPolarHBondContact O-CG 3.4Å; S40-Q44 PolarHBondContact O-N 2.7Å; S40-Q44 VanDerWaalsContact O-N 3.07Å; V41-Q44 PolarHBondContact O-N 3.24Å; Q44-L72 HydrophobicContact CB-CD1 4.05Å; Q44-L72 HydrophobicContact CG-CD1 4.03Å; Q44-V74 HydrophobicContact CG-CG1 4.27Å
45K89.6Confident83.4Confident97 Ų9763.1 Ų63.142%0.42237%0.372SS..EExtended strand (participates in β ladder)trans-117.7125162.9-62.4-175.2-179.8-174.70108.2I47 M73K45-I47 HydrophobicContact CB-CD1 4.15Å; K45-I47 WeakPolarHBondContact O-CD1 3.45Å; K45-M73 HydrophobicContact CB-CB 4.36Å; K45-M73 PolarHBondContact N-O 3.18Å; K45-M73 PolarHBondContact O-N 3.07Å
46L90.6Very high84.1Confident0 Ų069 Ų690%040%0.396CS..EExtended strand (participates in β ladder)trans-99.1130.2174.7-72.2155.4000107.7L5 V23 L26 K27 I30 I52 L53 V70 V71 L72L5-L46 HydrophobicContact CD2-CD2 3.36Å; V23-L46 HydrophobicContact CG1-CD1 3.71Å; L26-L46 HydrophobicContact CD2-CD1 4.09Å; L26-L46 HydrophobicContact CD2-CD2 4.39Å; L26-L46 HydrophobicContact CG-CD1 4.24Å; K27-L46 HydrophobicContact CD-CD1 4.46Å; K27-L46 HydrophobicContact CG-CD1 3.56Å; I30-L46 HydrophobicContact CD1-CD2 3.9Å; L46-I52 WeakPolarHBondContact O-CA 3.46Å; L46-L53 HydrophobicContact CB-CB 4.26Å; L46-L53 HydrophobicContact CB-CD1 4.01Å; L46-L53 WeakPolarHBondContact O-CD1 3.26Å; L46-L53 PolarHBondContact O-N 3.27Å; L46-V70 HydrophobicContact CB-CG1 3.94Å; L46-V70 HydrophobicContact CD2-CG1 3.65Å; L46-V70 HydrophobicContact CG-CG1 4.44Å; L46-V71 CarbonylContact C-O 3.57Å; L46-L72 HydrophobicContact CD2-CD1 3.8Å; L46-L72 HydrophobicContact CG-CD1 4.11Å
47I91.4Very high84.9Confident36 Ų3664.1 Ų64.119%0.18538%0.378CS..EExtended strand (participates in β ladder)trans-128.7119.7-178.5-53.695.5000109.3K45 K51 I52 V71 M73K45-I47 HydrophobicContact CB-CD1 4.15Å; K45-I47 WeakPolarHBondContact O-CD1 3.45Å; I47-K51 CarbonylContact C-O 3.59Å; I47-K51 VanDerWaalsContact CA-O 3.28Å; I47-K51 WeakPolarHBondContact CA-O 3.34Å; I47-I52 HydrophobicContact CG1-CG1 3.96Å; I47-V71 HydrophobicContact CB-CB 4.31Å; I47-V71 PolarHBondContact N-O 2.97Å; I47-V71 PolarHBondContact O-N 2.78Å; I47-M73 HydrophobicContact CD1-CB 3.96Å
48Y91.5Very high86Confident20 Ų2058.3 Ų58.38%0.07835%0.349CS..EExtended strand (participates in β ladder)trans-125.5133.6177.6-176.4-109.1000110.1G50 K51 N63 I64 D65 N68 V70Y48-G50 PolarHBondContact O-N 3.46Å; Y48-K51 PolarHBondContact N-O 2.62Å; Y48-K51 PolarHBondContact O-N 3.29Å; Y48-N63 WeakPolarHBondContact CE1-O 3.27Å; Y48-N63 PolarHBondContact OH-O 2.94Å; Y48-I64 HydrophobicContact CD1-CG1 4.23Å; Y48-I64 HydrophobicContact CD2-CG2 4.32Å; Y48-I64 HydrophobicContact CE1-CG1 4.41Å; Y48-I64 HydrophobicContact CE2-CG2 4.06Å; Y48-I64 HydrophobicContact CG-CG1 4.43Å; Y48-D65 PolarHBondContact OH-N 3.01Å; Y48-D65 PolarHBondContact OH-OD2 2.86Å; Y48-N68 HydrophobicContact CE2-CB 3.62Å; Y48-N68 PolarHBondContact OH-ND2 3.29Å; Y48-N68 VanDerWaalsContact OH-ND2 3.15Å; Y48-V70 HydrophobicContact CD2-CG2 3.88Å; Y48-V70 HydrophobicContact CG-CG2 4.41Å
49A86.4Confident86.8Confident92 Ų9254.2 Ų54.276%0.7633%0.328SS*.THydrogen-bonded Turntrans47.534.7-177.400000114.3K51A49-K51 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.5Å
50G85.1Confident87.3Confident73 Ų7359.1 Ų59.175%0.75335%0.35SS*.THydrogen-bonded Turntrans79.7-4-177.300000116Y48Y48-G50 PolarHBondContact O-N 3.46Å
51K87.8Confident87.6Confident151 Ų15163.6 Ų63.666%0.65737%0.366SS*.EExtended strand (participates in β ladder)trans-96.3135.5174-66179-179.9175.90110.7I47 Y48 A49I47-K51 CarbonylContact C-O 3.59Å; I47-K51 VanDerWaalsContact CA-O 3.28Å; I47-K51 WeakPolarHBondContact CA-O 3.34Å; Y48-K51 PolarHBondContact N-O 2.62Å; Y48-K51 PolarHBondContact O-N 3.29Å; A49-K51 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.5Å
52I90.2Very high87.8Confident96 Ų9664.3 Ų64.349%0.49237%0.366SS..EExtended strand (participates in β ladder)trans-75.7131.8168.7-58.6169.3000107.7L46 I47L46-I52 WeakPolarHBondContact O-CA 3.46Å; I47-I52 HydrophobicContact CG1-CG1 3.96Å
53L88.1Confident88Confident4 Ų465.6 Ų65.62%0.02136%0.359CS..PPolyproline II helixtrans-83.4140176.2-65.784.7000110.3V23 L46 L59 Y62 I64 V70V23-L53 HydrophobicContact CG1-CB 3.84Å; V23-L53 HydrophobicContact CG2-CB 3.84Å; V23-L53 HydrophobicContact CG2-CD2 3.8Å; V23-L53 HydrophobicContact CG2-CG 4.44Å; L46-L53 HydrophobicContact CB-CB 4.26Å; L46-L53 HydrophobicContact CB-CD1 4.01Å; L46-L53 WeakPolarHBondContact O-CD1 3.26Å; L46-L53 PolarHBondContact O-N 3.27Å; L53-L59 HydrophobicContact CD2-CD2 4.37Å; L53-Y62 HydrophobicContact CB-CD2 4.46Å; L53-Y62 HydrophobicContact CB-CE1 4.38Å; L53-Y62 HydrophobicContact CB-CE2 4.04Å; L53-Y62 HydrophobicContact CD2-CD1 4.32Å; L53-Y62 HydrophobicContact CD2-CD2 3.58Å; L53-Y62 HydrophobicContact CD2-CE2 4Å; L53-Y62 HydrophobicContact CD2-CG 3.74Å; L53-Y62 HydrophobicContact CG-CD1 3.99Å; L53-Y62 HydrophobicContact CG-CD2 3.98Å; L53-Y62 HydrophobicContact CG-CE1 4.09Å; L53-Y62 HydrophobicContact CG-CE2 4.04Å; L53-Y62 HydrophobicContact CG-CG 3.94Å; L53-I64 HydrophobicContact CD2-CD1 3.95Å; L53-V70 HydrophobicContact CD1-CG1 4.23Å
54N89.6Confident88.1Confident98 Ų9866 Ų6652%0.52436%0.36SS..PPolyproline II helixtrans-98.6143.1178.6-69.8-23.4000110.7V23 D56 T57 Y62V23-N54 VanDerWaalsContact CB-O 3.27Å; V23-N54 WeakPolarHBondContact CB-O 3.36Å; V23-N54 WeakPolarHBondContact CG2-O 3.38Å; N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact O-N 2.77Å; N54-T57 PolarHBondContact O-N 3.48Å; N54-Y62 PolarHBondContact N-OH 3.11Å
55D89.8Confident87.9Confident49 Ų4969.9 Ų69.926%0.26238%0.38SS..THydrogen-bonded Turntrans-66.3-30.9-169.9-68.4-21.3000113.9K24 K27 T57K24-D55 HydrophobicContact CB-CB 4.15Å; K24-D55 PolarHBondContact N-O 3.07Å; K27-D55 VanDerWaalsContact CD-OD1 3.26Å; K27-D55 WeakPolarHBondContact CD-OD1 3.26Å; K27-D55 WeakPolarHBondContact CE-OD1 3.37Å; K27-D55 IonicContact NZ-OD1 2.73Å; K27-D55 PolarHBondContact NZ-OD1 2.88Å; K27-D55 IonicContact NZ-OD2 2.65Å; K27-D55 PolarHBondContact NZ-OD2 3.49Å; D55-T57 VanDerWaalsContact C-N 3.34Å
56D88.7Confident87.7Confident152 Ų15270.3 Ų70.381%0.81338%0.384SS*.THydrogen-bonded Turntrans-83.7-3-179.7-50.9-84.6000114.2N54N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact O-N 2.77Å
57T87.6Confident87.4Confident34 Ų3480 Ų8021%0.20943%0.426CS..SBendtrans-102.7136.6-176.8-54.30000110.5V23 N54 D55 E61 Y62V23-T57 WeakPolarHBondContact CG2-O 3.47Å; V23-T57 PolarHBondContact N-O 3.25Å; N54-T57 PolarHBondContact O-N 3.48Å; D55-T57 VanDerWaalsContact C-N 3.34Å; T57-E61 HydrophobicContact CG2-CB 3.69Å; T57-E61 HydrophobicContact CG2-CG 3.8Å; T57-Y62 WeakPolarHBondContact CB-OH 3.38Å; T57-Y62 HydrophobicContact CG2-CD2 4.23Å; T57-Y62 HydrophobicContact CG2-CE2 3.43Å; T57-Y62 VanDerWaalsContact CG2-CE2 3.43Å
58P90.3Very high87.3Confident47 Ų4782 Ų8231%0.30544%0.437SS..BIsolated β-bridgetrans-70150.4178.128.6-34.3000112E21 K60 E61 Y62E21-P58 WeakPolarHBondContact O-CA 3.28Å; P58-K60 PolarHBondContact O-N 2.81Å; P58-E61 HydrophobicContact CG-CB 4.36Å; P58-E61 WeakPolarHBondContact O-CB 3.23Å; P58-E61 PolarHBondContact O-N 3.44Å; P58-Y62 WeakPolarHBondContact O-CD2 3.45Å
59L86.1Confident87.2Confident3 Ų385.9 Ų85.92%0.01645%0.454CS..G310 helixtrans-61.3-33.6-177.5-67.3163.4000112.4I3 I17 E21 V23 L26 L53 E61 Y62 I64I3-L59 HydrophobicContact CD1-CD1 4.06Å; I3-L59 HydrophobicContact CD1-CD2 4.31Å; I17-L59 HydrophobicContact CD1-CD1 4.17Å; I17-L59 HydrophobicContact CG1-CD1 4.35Å; I17-L59 HydrophobicContact CG2-CD1 3.77Å; E21-L59 WeakPolarHBondContact O-CG 3.44Å; E21-L59 PolarHBondContact O-N 2.93Å; V23-L59 HydrophobicContact CG2-CD2 3.79Å; V23-L59 HydrophobicContact CG2-CG 4.46Å; L26-L59 HydrophobicContact CB-CD1 4.29Å; L26-L59 HydrophobicContact CB-CD2 4.36Å; L26-L59 HydrophobicContact CD2-CD1 4.45Å; L26-L59 HydrophobicContact CD2-CD2 3.62Å; L53-L59 HydrophobicContact CD2-CD2 4.37Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.44Å; L59-Y62 PolarHBondContact O-N 3.15Å; L59-Y62 VanDerWaalsContact O-N 3.14Å; L59-I64 HydrophobicContact CB-CD1 4.22Å; L59-I64 HydrophobicContact CD2-CD1 3.65Å
60K86.9Confident87.4Confident108 Ų10881.5 Ų81.547%0.4742%0.418SS..G310 helixtrans-53.6-39.7174.1-165.1173.4-165.1170.70114.5E19 E20 P58 Y62 N63E19-K60 WeakPolarHBondContact O-CB 3.31Å; E19-K60 PolarHBondContact O-N 3.42Å; E20-K60 WeakPolarHBondContact OE1-CD 3.05Å; E20-K60 IonicContact OE1-NZ 2.62Å; E20-K60 PolarHBondContact OE1-NZ 3.02Å; P58-K60 PolarHBondContact O-N 2.81Å; K60-Y62 PolarHBondContact O-N 2.85Å; K60-N63 PolarHBondContact O-N 3.03Å; K60-N63 PolarHBondContact O-ND2 2.88Å
61E88.1Confident87.6Confident137 Ų13780.3 Ų80.364%0.6440%0.396SS*.G310 helixtrans-58.6-36.6179.1-163.584.9-160.800111.1T57 P58 L59 N63T57-E61 HydrophobicContact CG2-CB 3.69Å; T57-E61 HydrophobicContact CG2-CG 3.8Å; P58-E61 HydrophobicContact CG-CB 4.36Å; P58-E61 WeakPolarHBondContact O-CB 3.23Å; P58-E61 PolarHBondContact O-N 3.44Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.44Å; E61-N63 VanDerWaalsContact C-N 3.31Å; E61-N63 PolarHBondContact O-N 3.19Å; E61-N63 PolarHBondContact O-ND2 3.41Å
62Y84.6Confident87.7Confident43 Ų4373.1 Ų73.117%0.16937%0.365CS..G310 helixtrans-80.9-5.6-176-66-73000114.5V23 L53 N54 T57 P58 L59 K60 I64V23-Y62 HydrophobicContact CG2-CD2 4.2Å; V23-Y62 HydrophobicContact CG2-CE2 3.82Å; L53-Y62 HydrophobicContact CB-CD2 4.46Å; L53-Y62 HydrophobicContact CB-CE1 4.38Å; L53-Y62 HydrophobicContact CB-CE2 4.04Å; L53-Y62 HydrophobicContact CD2-CD1 4.32Å; L53-Y62 HydrophobicContact CD2-CD2 3.58Å; L53-Y62 HydrophobicContact CD2-CE2 4Å; L53-Y62 HydrophobicContact CD2-CG 3.74Å; L53-Y62 HydrophobicContact CG-CD1 3.99Å; L53-Y62 HydrophobicContact CG-CD2 3.98Å; L53-Y62 HydrophobicContact CG-CE1 4.09Å; L53-Y62 HydrophobicContact CG-CE2 4.04Å; L53-Y62 HydrophobicContact CG-CG 3.94Å; N54-Y62 PolarHBondContact N-OH 3.11Å; T57-Y62 WeakPolarHBondContact CB-OH 3.38Å; T57-Y62 HydrophobicContact CG2-CD2 4.23Å; T57-Y62 HydrophobicContact CG2-CE2 3.43Å; T57-Y62 VanDerWaalsContact CG2-CE2 3.43Å; P58-Y62 WeakPolarHBondContact O-CD2 3.45Å; L59-Y62 PolarHBondContact O-N 3.15Å; L59-Y62 VanDerWaalsContact O-N 3.14Å; K60-Y62 PolarHBondContact O-N 2.85Å; Y62-I64 VanDerWaalsContact C-N 3.35Å; Y62-I64 PolarHBondContact O-N 3.4Å
63N85.1Confident87.5Confident125 Ų12572.4 Ų72.467%0.66836%0.361SS*.THydrogen-bonded Turntrans49.154.6179-70.2-104.5000111.7Y48 K60 E61 D65Y48-N63 WeakPolarHBondContact CE1-O 3.27Å; Y48-N63 PolarHBondContact OH-O 2.94Å; K60-N63 PolarHBondContact O-N 3.03Å; K60-N63 PolarHBondContact O-ND2 2.88Å; E61-N63 VanDerWaalsContact C-N 3.31Å; E61-N63 PolarHBondContact O-N 3.19Å; E61-N63 PolarHBondContact O-ND2 3.41Å; N63-D65 PolarHBondContact O-N 2.81Å
64I85.2Confident87.3Confident20 Ų2074.1 Ų74.110%0.10337%0.371CS..  trans-73.2124.9-178.5-54.4175.2000109M1 I3 Y48 L53 L59 Y62 V70M1-I64 HydrophobicContact CE-CB 4.16Å; M1-I64 HydrophobicContact CE-CG2 4.12Å; M1-I64 WeakPolarHBondContact CE-O 3.3Å; I3-I64 HydrophobicContact CD1-CD1 4.22Å; I3-I64 HydrophobicContact CG2-CG2 4.25Å; Y48-I64 HydrophobicContact CD1-CG1 4.23Å; Y48-I64 HydrophobicContact CD2-CG2 4.32Å; Y48-I64 HydrophobicContact CE1-CG1 4.41Å; Y48-I64 HydrophobicContact CE2-CG2 4.06Å; Y48-I64 HydrophobicContact CG-CG1 4.43Å; L53-I64 HydrophobicContact CD2-CD1 3.95Å; L59-I64 HydrophobicContact CB-CD1 4.22Å; L59-I64 HydrophobicContact CD2-CD1 3.65Å; Y62-I64 VanDerWaalsContact C-N 3.35Å; Y62-I64 PolarHBondContact O-N 3.4Å; I64-V70 HydrophobicContact CD1-CG2 4.42Å; I64-V70 HydrophobicContact CG2-CG2 4.01Å
65D83.5Confident86.8Confident83 Ų8372.5 Ų72.544%0.44437%0.365SS..  trans-90.6134.6172.9-61.1-87000110.5Y48 N63 K67 N68Y48-D65 PolarHBondContact OH-N 3.01Å; Y48-D65 PolarHBondContact OH-OD2 2.86Å; N63-D65 PolarHBondContact O-N 2.81Å; D65-K67 PolarHBondContact O-N 2.88Å; D65-K67 VanDerWaalsContact O-N 3.11Å; D65-N68 HydrophobicContact CB-CB 4.05Å; D65-N68 PolarHBondContact O-N 2.94Å; D65-N68 PolarHBondContact OD2-ND2 2.93Å
66E85.1Confident85.5Confident105 Ų10578.9 Ų78.949%0.49139%0.39SS..THydrogen-bonded Turntrans-60.8-21.7172.9-57.9-170.6138.400113.3M1 L2M1-E66 HydrophobicContact CE-CG 3.64Å; M1-E66 HydrophobicContact CG-CG 3.9Å; M1-E66 WeakPolarHBondContact CG-OE1 3.43Å; L2-E66 PolarHBondContact N-OE1 3.15Å
67K85.6Confident83.9Confident205 Ų20576 Ų7689%0.89138%0.378SS*.THydrogen-bonded Turntrans-79.4-25.8175.6-67.2174.4-177.1166.40113.1D65D65-K67 PolarHBondContact O-N 2.88Å; D65-K67 VanDerWaalsContact O-N 3.11Å
68N88Confident81.7Confident78 Ų7881.8 Ų81.842%0.41740%0.402SS..SBendtrans-90.4176.7176.4-71.5-37.7000109.6Y48 D65Y48-N68 HydrophobicContact CE2-CB 3.62Å; Y48-N68 PolarHBondContact OH-ND2 3.29Å; Y48-N68 VanDerWaalsContact OH-ND2 3.15Å; D65-N68 HydrophobicContact CB-CB 4.05Å; D65-N68 PolarHBondContact O-N 2.94Å; D65-N68 PolarHBondContact OD2-ND2 2.93Å
69F89.4Confident79.4Confident100 Ų10085.3 Ų85.344%0.43942%0.419SS..EExtended strand (participates in β ladder)trans-127.4143.3177.958.1-90.7000111.5T4 K6 V71T4-F69 HydrophobicContact CG2-CB 4.16Å; T4-F69 CarbonylContact O-C 3.44Å; T4-F69 VanDerWaalsContact O-CA 3.23Å; T4-F69 WeakPolarHBondContact O-CA 3.42Å; K6-F69 HydrophobicContact CB-CB 4.36Å; K6-F69 HydrophobicContact CB-CD2 3.82Å; K6-F69 HydrophobicContact CB-CG 4.29Å; K6-F69 HydrophobicContact CD-CD2 4.05Å; K6-F69 HydrophobicContact CD-CE2 4.04Å; F69-V71 HydrophobicContact CD2-CG2 3.86Å; F69-V71 HydrophobicContact CE2-CG2 3.66Å
70V90.4Very high77.3Confident0 Ų092.7 Ų92.70%046%0.457CS..EExtended strand (participates in β ladder)trans-90.4123169.4-174.10000107.9I3 T4 L5 K6 L46 Y48 L53 I64I3-V70 HydrophobicContact CG2-CG2 3.74Å; T4-V70 PolarHBondContact O-N 3.49Å; L5-V70 CarbonylContact C-O 3.53Å; L5-V70 WeakPolarHBondContact CA-O 3.35Å; L5-V70 HydrophobicContact CD2-CB 4.03Å; L5-V70 HydrophobicContact CD2-CG1 4.29Å; K6-V70 PolarHBondContact N-O 2.89Å; L46-V70 HydrophobicContact CB-CG1 3.94Å; L46-V70 HydrophobicContact CD2-CG1 3.65Å; L46-V70 HydrophobicContact CG-CG1 4.44Å; Y48-V70 HydrophobicContact CD2-CG2 3.88Å; Y48-V70 HydrophobicContact CG-CG2 4.41Å; L53-V70 HydrophobicContact CD1-CG1 4.23Å; I64-V70 HydrophobicContact CD1-CG2 4.42Å; I64-V70 HydrophobicContact CG2-CG2 4.01Å
71V90.4Very high75.1Confident48 Ų4896.4 Ų96.429%0.29147%0.474SS..EExtended strand (participates in β ladder)trans-76.8124.9175.1179.40000108.9K6 L46 I47 F69K6-V71 CarbonylContact O-C 3.35Å; K6-V71 WeakPolarHBondContact O-CA 3.49Å; L46-V71 CarbonylContact C-O 3.57Å; I47-V71 HydrophobicContact CB-CB 4.31Å; I47-V71 PolarHBondContact N-O 2.97Å; I47-V71 PolarHBondContact O-N 2.78Å; F69-V71 HydrophobicContact CD2-CG2 3.86Å; F69-V71 HydrophobicContact CE2-CG2 3.66Å
72L89.1Confident72.6Confident1 Ų199.7 Ų99.71%0.00549%0.486CS..EExtended strand (participates in β ladder)trans-105.8107.8178.8179.464.5000109.6L5 K6 T7 L8 F13 I30 F39 Q44 L46L5-L72 HydrophobicContact CD2-CB 4.42Å; K6-L72 PolarHBondContact O-N 2.96Å; T7-L72 WeakPolarHBondContact CA-O 3.33Å; L8-L72 PolarHBondContact N-O 3.49Å; F13-L72 HydrophobicContact CE1-CD2 4.24Å; F13-L72 HydrophobicContact CZ-CD2 3.86Å; I30-L72 HydrophobicContact CD1-CD1 4.43Å; I30-L72 HydrophobicContact CD1-CD2 4.36Å; I30-L72 HydrophobicContact CG2-CD2 3.6Å; F39-L72 HydrophobicContact CD1-CD2 3.53Å; F39-L72 HydrophobicContact CD1-CG 4.14Å; F39-L72 HydrophobicContact CE1-CD2 3.54Å; F39-L72 HydrophobicContact CE1-CG 4.08Å; Q44-L72 HydrophobicContact CB-CD1 4.05Å; Q44-L72 HydrophobicContact CG-CD1 4.03Å; L46-L72 HydrophobicContact CD2-CD1 3.8Å; L46-L72 HydrophobicContact CG-CD1 4.11Å
73M86.3Confident70.6Confident80 Ų80105.3 Ų105.339%0.39452%0.518SS..EExtended strand (participates in β ladder)trans-100.8130.5174.5-177.7-178.3-172.100109.2K45 I47K45-M73 HydrophobicContact CB-CB 4.36Å; K45-M73 PolarHBondContact N-O 3.18Å; K45-M73 PolarHBondContact O-N 3.07Å; I47-M73 HydrophobicContact CD1-CB 3.96Å
74V84.4Confident68.6Low41 Ų41107 Ų10725%0.24852%0.522CS..EExtended strand (participates in β ladder)trans-106.5120.2171.3-71.40000109.5I38 F39 Q44 K76I38-V74 WeakPolarHBondContact O-CG1 3.28Å; F39-V74 HydrophobicContact CD1-CG1 3.33Å; F39-V74 HydrophobicContact CE1-CG1 3.67Å; F39-V74 HydrophobicContact CG-CG1 4.17Å; Q44-V74 HydrophobicContact CG-CG1 4.27Å; V74-K76 PolarHBondContact O-N 3.48Å
75T77.8Confident66.3Low64 Ų64113.9 Ų113.939%0.39356%0.558SS.*  trans-80.3109.6172.4-45.80000106.5A43 V77A43-T75 WeakPolarHBondContact CB-O 3.4Å; A43-T75 PolarHBondContact O-N 2.81Å; T75-V77 VanDerWaalsContact C-N 3.27Å; T75-V77 VanDerWaalsContact O-CG2 3.32Å; T75-V77 WeakPolarHBondContact O-CG2 3.32Å; T75-V77 PolarHBondContact O-N 3.42Å
76K63.6Low64.3Low182 Ų182114.4 Ų114.479%0.79157%0.574SS**  trans-68.584.7-175.9-167.5169.7-174170.90110.4V74 H78V74-K76 PolarHBondContact O-N 3.48Å; K76-H78 PolarHBondContact O-N 2.84Å
77V53.7Low61.9Low93 Ų93115.2 Ų115.256%0.56459%0.586SS**  trans-68.7103.7173.9-153.80000106.6A43 T75 N79A43-V77 HydrophobicContact CB-CG2 3.93Å; T75-V77 VanDerWaalsContact C-N 3.27Å; T75-V77 VanDerWaalsContact O-CG2 3.32Å; T75-V77 WeakPolarHBondContact O-CG2 3.32Å; T75-V77 PolarHBondContact O-N 3.42Å; V77-N79 PolarHBondContact O-N 3Å
78H41.7Very low59.4Low154 Ų154114.1 Ų114.171%0.71358%0.582SS**  trans-63.786.2171.3-11194.2000108.3K76 L80K76-H78 PolarHBondContact O-N 2.84Å; H78-L80 WeakPolarHBondContact O-CD1 3.44Å; H78-L80 PolarHBondContact O-N 3.09Å; H78-L80 VanDerWaalsContact O-N 3.16Å
79N42.9Very low57.1Low122 Ų122119.4 Ų119.465%0.65260%0.604SS**  trans-73.1106.3169.4-118-94.1000106.8V77 K81V77-N79 PolarHBondContact O-N 3Å; N79-K81 PolarHBondContact O-N 2.96Å
80L41.4Very low54.9Low157 Ų157120.2 Ų120.282%0.82262%0.619SS**  trans-66.974.3173.2-83.773.7000109.9H78H78-L80 WeakPolarHBondContact O-CD1 3.44Å; H78-L80 PolarHBondContact O-N 3.09Å; H78-L80 VanDerWaalsContact O-N 3.16Å
81K41.9Very low52.1Low187 Ų187129.4 Ų129.481%0.81366%0.659SS**  trans-113.125.9171.9-127163.1-170.6165.90112.5N79N79-K81 PolarHBondContact O-N 2.96Å
82F35.6Very low49.4Very low206 Ų206133.2 Ų133.290%0.90468%0.683SS**  trans-103.234.1176-119.1-82000112.6
83L41.5Very low46.9Very low161 Ų161138.2 Ų138.284%0.84372%0.724SS**SBendtrans-141.335.6-176-131.2103.2000115.4
84Q43.2Very low44.5Very low159 Ų159140 Ų14074%0.74374%0.744SS**SBendtrans-157.669.7165.7-161.966.765.900114.9
85L37.8Very low42.2Very low166 Ų166142.3 Ų142.387%0.86977%0.768SS**  trans-16660.7135.7-142.366.7000114.2
86A40.2Very low40Very low94 Ų94145.1 Ų145.178%0.77779%0.785SS**  trans-120.475.2167.600000110.4
87V34.3Very low38.3Very low121 Ų121141.5 Ų141.573%0.73378%0.778SS**  trans-121.9101.2167.4176.20000109
88F34.3Very low37.6Very low183 Ų183145 Ų14580%0.80379%0.789SS**  trans18.4122150.3-76.4-98.8000119.4
89Q39.5Very low36.9Very low188 Ų188143.3 Ų143.388%0.87979%0.789SS**  -162.8121.3118.2-111.9178.3103.900112.2
90P43.3Very low36.7Very low117 Ų117142.2 Ų142.276%0.7679%0.791SS**  trans-93.3127.4165.733.5-28.1000110.7
91K32.2Very low36.6Very low193 Ų193139.5 Ų139.584%0.83979%0.785SS**  trans-137.8116166.5-165.289.7-175.4-172.80110.8
92T32.7Very low36.1Very low129 Ų129136.8 Ų136.879%0.79178%0.784SS**  trans-69.9135.4170.2510000112
93A35.8Very low36.6Very low106 Ų106132.2 Ų132.288%0.87678%0.778SS**  trans178.1159.4137.400000112.2
94S36.2Very low36.3Very low117 Ų117130.2 Ų130.282%0.81878%0.777SS**  trans-80.2166.7-172.1-480000116.3
95A36.1Very low36.2Very low89 Ų89126.9 Ų126.974%0.73678%0.777SS**  trans89.3119.5135.200000121.6
96T31.4Very low36.8Very low123 Ų123124.2 Ų124.276%0.75577%0.77SS**  89.5113.5122.6-63.80000121.5
97T29.2Very low36.9Very low107 Ų107125.7 Ų125.766%0.65677%0.769SS**  trans60.5123.1146.757.90000124.5
98Q38.7Very low37Very low167 Ų167125.8 Ų125.878%0.7877%0.77SS**  75144.2123.2-66.7-176.713.400123.6
99T27.3Very low37Very low117 Ų117123.9 Ų123.972%0.71877%0.774SS**  trans77.599.9143.740.20000122.3
100S38.9Very low37.1Very low99 Ų99119.4 Ų119.469%0.69277%0.768SS**  66.1115.1119.566.70000123
101S37.5Very low37.3Very low100 Ų100119.7 Ų119.770%0.69977%0.771SS**  101.4150.3115.576.40000122.8
102T31.6Very low37.3Very low130 Ų130115.1 Ų115.180%0.79877%0.768SS**  trans78.1107160.562.80000121.5
103S47.1Very low37.9Very low111 Ų111113.2 Ų113.278%0.77677%0.766SS**  14.9131127.1-169.80000120
104S35.9Very low39.3Very low118 Ų118113.9 Ų113.983%0.82576%0.761SS**  -175.8126.6122-790000113.5
105A40.6Very low39.9Very low90 Ų90114 Ų11474%0.74476%0.759SS**  trans-96.1162.2143.400000106.7
106P50.7Low39.9Very low109 Ų109113.9 Ų113.971%0.70876%0.759SS**  cis-155.2-179.941.739.3-14.6000119.3
107V41.7Very low40.1Very low125 Ų125112.3 Ų112.376%0.75876%0.758SS**  trans61.1145.3153.3-670000125.2
108T36.6Very low41.5Very low124 Ų124113 Ų11376%0.76176%0.764SS**  trans70.3112.2152.445.60000120.9
109T34.8Very low42.6Very low143 Ų143110.6 Ų110.688%0.87776%0.763SS**  -168.3116.5109.117.40000112.2
110A41Very low42.9Very low93 Ų93109.8 Ų109.877%0.76977%0.768SS**  trans-103.4154.1146.900000106.6
111P48.1Very low42.7Very low124 Ų124109.1 Ų109.181%0.80577%0.768SS**  -154.2179.991.139.8-21.1000116.7
112A31.7Very low42.5Very low96 Ų96112.1 Ų112.179%0.79378%0.776SS**  trans83.190.7150.300000120.6
113A45.6Very low42.6Very low90 Ų90111.3 Ų111.374%0.74478%0.775SS**  trans-85.7-162.313400000108.9
114P63.7Low41.9Very low120 Ų120111.1 Ų111.178%0.77977%0.774SS**  cis-112.7-115.9-17.840.7-21.7000108
115P50.7Low41.8Very low119 Ų119113.3 Ų113.377%0.77378%0.776SS**  cis-103.2-174.9-15.843.4-32.9000111.8
116A35Very low41.4Very low87 Ų87115.9 Ų115.972%0.71978%0.777SS**  cis-145.4145-10.700000107.5
117A36.8Very low40.7Very low89 Ų89117.6 Ų117.674%0.73678%0.78SS**  cis92.6160.542.800000112.7
118P57.7Low40.8Very low121 Ų121116.1 Ų116.179%0.78677%0.773SS**  -135.1-109.7-93.229.2-3.9000117.7
119P62.5Low40.5Very low117 Ų117114 Ų11476%0.7677%0.769SS**  -128-175.1-108.238.5-19.1000115.7
120A33.2Very low40.2Very low101 Ų101115.1 Ų115.184%0.83576%0.764SS**  trans-168.8169142.400000111.2
121A34.2Very low39.7Very low84 Ų84116.3 Ų116.369%0.69476%0.762SS**  -173130.3-62.300000110.6
122L33.2Very low38.9Very low164 Ų164116.5 Ų116.586%0.85976%0.761SS**  trans59.2148.2148.5-58.8174.6000123.2
123S33.2Very low39.8Very low112 Ų112117.2 Ų117.278%0.78376%0.757SS**  trans82.2152.8156.7-40.10000117.8
124S32.7Very low39.2Very low108 Ų108118.2 Ų118.276%0.75576%0.759SS**  cis-172.1151.4-27.3-92.80000108.2
125L35.2Very low37.8Very low164 Ų164119.1 Ų119.186%0.85976%0.757SS**  trans33.2113.8144-157.281000119.6
126D32.4Very low36.9Very low144 Ų144120.8 Ų120.877%0.7776%0.759SS**  -164.8150.8123.3-148.1-111.3000113.8P128D126-P128 WeakPolarHBondContact OD1-CD 3.19Å
127N35.4Very low36.8Very low145 Ų145123.5 Ų123.578%0.77576%0.755SS**  trans-156.5123.2167.9166.691.7000106.3
128P43.1Very low36.8Very low93 Ų93125 Ų12560%0.60476%0.761SS**  -151.4148.911737.3-21.4000116.5D126D126-P128 WeakPolarHBondContact OD1-CD 3.19Å
129A30.9Very low35.8Very low81 Ų81126.3 Ų126.367%0.66976%0.756SS**  trans62.4162.8141.500000117.9
130E28.8Very low34.3Very low166 Ų166127.3 Ų127.378%0.77676%0.755SS**  cis-155.2177.84.2-148.5170.685.700110.4
131T28.8Very low34.1Very low118 Ų118129.7 Ų129.772%0.72475%0.746SS**  trans67.2101.6154.452.70000120.4
132T32.1Very low33.9Very low127 Ų127131.8 Ų131.878%0.77974%0.742SS**  trans-66-166.3133.659.70000110.1
133P51Low33.8Very low111 Ų111130.9 Ų130.972%0.72173%0.733SS**  cis-133.6179.3-13.829.4-6.9000113.9
134S33.2Very low33.7Very low111 Ų111133 Ų13378%0.77673%0.731SS**  168.9110.7127.1-75.80000109.1
135D33.4Very low33.6Very low140 Ų140133.8 Ų133.875%0.74973%0.731SS**  86.4108.373.3-160.6-72.2000111.8
136N31.6Very low34.5Very low153 Ų153131.3 Ų131.382%0.81873%0.725SS**  -156.4143.1118.8-146.7-8.5000112.2
137K34Very low34.8Very low144 Ų144130.6 Ų130.663%0.62673%0.728SS**  trans-121.3143.5-178174-167.8174.9-159.30109E139K137-E139 WeakPolarHBondContact CE-OE2 3.04Å; K137-E139 IonicContact NZ-OE2 2.9Å; K137-E139 PolarHBondContact NZ-OE2 3.12Å
138S35.8Very low35.2Very low122 Ų122131.3 Ų131.385%0.85373%0.73SS**  trans-156.4144155.6-79.30000111.9
139E37.8Very low34.8Very low147 Ų147132.4 Ų132.469%0.68774%0.74SS**  trans-101.9156.7179.1-69157.567.800110.3K137K137-E139 WeakPolarHBondContact CE-OE2 3.04Å; K137-E139 IonicContact NZ-OE2 2.9Å; K137-E139 PolarHBondContact NZ-OE2 3.12Å
140D30.5Very low35.1Very low138 Ų138136.3 Ų136.374%0.73875%0.745SS**  156.1109.3119.3-153-116.2000114.3
141K28.8Very low35.9Very low152 Ų152134.6 Ų134.666%0.66175%0.748SS**  50.6149.5123.8-126.1-165.4161.2-150.90125.4
142Q30.8Very low36.1Very low128 Ų128133.3 Ų133.360%0.59874%0.743SS**  trans72150.4155.4-71.4-171.5-84.700119.4
143E30.7Very low36.3Very low145 Ų145132.3 Ų132.368%0.67874%0.742SS**  cis-168.2164.9-18.3-167.3151.1104.200110.4
144E30.6Very low35.1Very low157 Ų157134.1 Ų134.173%0.73475%0.751SS**  trans59.1106.9158.3-99.4-176.87200126.7
145T30Very low35.3Very low123 Ų123134 Ų13476%0.75575%0.75SS**  47-175.5123.188.70000123.1
146P54.5Low35.4Very low113 Ų113133.2 Ų133.273%0.73476%0.755SS**  trans-124.9-168.7-133.233.3-7.1000114.8
147P39.1Very low35.4Very low128 Ų128129.5 Ų129.583%0.83175%0.753SS**  trans-135.2128.9145.933.3-18.8000115.3
148I43.8Very low35.3Very low160 Ų160128 Ų12882%0.82176%0.761SS**  trans-84.5145.4151.5-83.4165.6000108.1
149S33.8Very low35.4Very low117 Ų117128 Ų12882%0.81876%0.761SS**  trans-171.4116.8143.8-81.20000112.7
150E38.5Very low35.2Very low163 Ų163124.4 Ų124.476%0.76276%0.764SS**  trans-70.6167.4147.9-74.2173.371.900110
151P45.3Very low35.5Very low130 Ų130124 Ų12484%0.84477%0.771SS**  -134.1158.8113.737.5-29.6000114.3
152S32.2Very low35.6Very low90 Ų90125.6 Ų125.663%0.62978%0.781SS**  trans-97.2161.6-161.3-36.10000116
153S37.4Very low36.6Very low107 Ų107127.7 Ų127.775%0.74880%0.795SS**  trans62.6121.8140.9-58.30000121.8
154T25.9Very low37Very low149 Ų149125 Ų12591%0.91479%0.792SS**  -174.6174.6105.726.40000111.7
155S37.2Very low37.7Very low107 Ų107122.6 Ų122.675%0.74879%0.79SS**  trans-120.9171.5-14453.80000117.4
156S35Very low38.5Very low124 Ų124121.5 Ų121.587%0.86778%0.78SS**  trans101.1130.4164.2-41.40000115.7
157G30.8Very low38.1Very low75 Ų75120.7 Ų120.777%0.77378%0.776SS**  cis173.4169.7-8.100000114.2
158S32.9Very low38.5Very low112 Ų112120.8 Ų120.878%0.78377%0.77SS**  trans73.794.7163.1-162.70000121.6
159S38.7Very low38.8Very low123 Ų123119.1 Ų119.186%0.8676%0.762SS**  55128.8122.9-50.50000122.8
160G33.2Very low39.7Very low72 Ų72118.5 Ų118.574%0.74275%0.748SS**  trans157.458.7146.500000120.1
161S36.8Very low40.3Very low128 Ų128116.3 Ų116.390%0.89574%0.742SS**  trans4986.3165.6-67.10000117.9
162E29.7Very low40.4Very low187 Ų187116.6 Ų116.687%0.87473%0.732SS**  trans-83.6130.8168.1-70.2-170.894.600113S164E162-S164 PolarHBondContact O-N 3.28Å
163I51.6Low41Very low171 Ų171114 Ų11488%0.87772%0.717SS**  trans-63.4120.9164.1-65.9149.2000107.9
164S39.2Very low41.7Very low88 Ų88113.1 Ų113.162%0.61571%0.706SS**  trans-107.8146.3175.3-77.70000112E162 N166E162-S164 PolarHBondContact O-N 3.28Å; S164-N166 PolarHBondContact O-N 3.37Å
165P45.8Very low42.7Very low108 Ų108110 Ų11070%0.70169%0.69SS**SBendtrans-90.25.8-154.7-4.424.8000114.9S167P165-S167 PolarHBondContact O-N 2.97Å
166N46.2Very low43.3Very low100 Ų100109.1 Ų109.154%0.53568%0.68SS.*THydrogen-bonded Turntrans-80.6-12.9-156.9-71.6-59.6000115.9S164 N168 I170S164-N166 PolarHBondContact O-N 3.37Å; N166-N168 PolarHBondContact O-N 2.92Å; N166-I170 HydrophobicContact CB-CD1 4.35Å; N166-I170 WeakPolarHBondContact O-CD1 3.46Å; N166-I170 VanDerWaalsContact O-CG1 3.31Å; N166-I170 WeakPolarHBondContact O-CG1 3.45Å
167S46.4Very low44Very low95 Ų95110.2 Ų110.266%0.66468%0.676SS**Hα-helixtrans-68.7-27.7-174.4-62.50000115.2P165 N171P165-S167 PolarHBondContact O-N 2.97Å; S167-N171 PolarHBondContact O-N 3.49Å
168N48.4Very low45.2Very low131 Ų131111 Ų11170%0.70167%0.666SS**Hα-helixtrans-79.2-42.8-178.1-86.9-66.4000113.1N166 I170 N171 E172N166-N168 PolarHBondContact O-N 2.92Å; N168-I170 VanDerWaalsContact C-N 3.27Å; N168-I170 PolarHBondContact O-N 3.13Å; N168-N171 PolarHBondContact O-N 3.01Å; N168-E172 WeakPolarHBondContact O-CB 3.43Å; N168-E172 PolarHBondContact O-N 3.38Å
169L49.6Very low46.7Very low124 Ų124108.3 Ų108.365%0.64965%0.645SS**Hα-helixtrans-63.3-32.8178.2-84.9159.2000112.6A173L169-A173 WeakPolarHBondContact O-CB 3.43Å; L169-A173 PolarHBondContact O-N 3.47Å
170I53.4Low47.8Very low104 Ų104104.4 Ų104.453%0.53362%0.623SS.*Hα-helixtrans-76.8-40.1179-53.4163.9000110.8N166 N168 A173 V174N166-I170 HydrophobicContact CB-CD1 4.35Å; N166-I170 WeakPolarHBondContact O-CD1 3.46Å; N166-I170 VanDerWaalsContact O-CG1 3.31Å; N166-I170 WeakPolarHBondContact O-CG1 3.45Å; N168-I170 VanDerWaalsContact C-N 3.27Å; N168-I170 PolarHBondContact O-N 3.13Å; I170-A173 PolarHBondContact O-N 2.86Å; I170-V174 HydrophobicContact CG2-CG2 4.44Å; I170-V174 WeakPolarHBondContact O-CB 3.43Å; I170-V174 VanDerWaalsContact O-CG2 3.26Å; I170-V174 WeakPolarHBondContact O-CG2 3.44Å; I170-V174 PolarHBondContact O-N 3.25Å
171N51.3Low49.7Very low117 Ų117106 Ų10663%0.62662%0.624SS**Hα-helixtrans-65.8-42174.6-106.312.8000111.9S167 N168 V174 S175S167-N171 PolarHBondContact O-N 3.49Å; N168-N171 PolarHBondContact O-N 3.01Å; N171-V174 PolarHBondContact O-N 2.59Å; N171-S175 WeakPolarHBondContact O-CB 3.21Å; N171-S175 PolarHBondContact O-N 3.44Å; N171-S175 PolarHBondContact O-OG 3.45Å
172E46.7Very low51.6Low136 Ų136104.4 Ų104.464%0.63661%0.612SS**Hα-helixtrans-68.7-35.8177.2-163.8170.993.100111.8N168 S175 T176N168-E172 WeakPolarHBondContact O-CB 3.43Å; N168-E172 PolarHBondContact O-N 3.38Å; E172-S175 CarbonylContact O-C 3.43Å; E172-S175 PolarHBondContact O-N 3.27Å; E172-T176 WeakPolarHBondContact O-CB 3.39Å; E172-T176 WeakPolarHBondContact O-CG2 3.42Å; E172-T176 PolarHBondContact O-N 3.01Å; E172-T176 VanDerWaalsContact O-N 3.11Å; E172-T176 PolarHBondContact O-OG1 2.97Å
173A44.6Very low54.1Low37 Ų3797.2 Ų97.231%0.30658%0.577SS.*Hα-helixtrans-64.8-45.7171.100000112.4L169 I170 S175 T176 L177L169-A173 WeakPolarHBondContact O-CB 3.43Å; L169-A173 PolarHBondContact O-N 3.47Å; I170-A173 PolarHBondContact O-N 2.86Å; A173-S175 VanDerWaalsContact C-N 3.26Å; A173-S175 PolarHBondContact O-N 3.25Å; A173-T176 WeakPolarHBondContact CA-OG1 3.42Å; A173-T176 PolarHBondContact O-N 3.26Å; A173-T176 PolarHBondContact O-OG1 3.37Å; A173-T176 VanDerWaalsContact O-OG1 3.11Å; A173-L177 HydrophobicContact CB-CD1 3.95Å; A173-L177 WeakPolarHBondContact O-CB 3.22Å; A173-L177 WeakPolarHBondContact O-CD1 3.2Å; A173-L177 PolarHBondContact O-N 3.18Å
174V52.7Low55.7Low88 Ų8893.2 Ų93.253%0.53356%0.558SS.*Hα-helixtrans-65.7-32.2177.2174.70000111.2I170 N171 T176I170-V174 HydrophobicContact CG2-CG2 4.44Å; I170-V174 WeakPolarHBondContact O-CB 3.43Å; I170-V174 VanDerWaalsContact O-CG2 3.26Å; I170-V174 WeakPolarHBondContact O-CG2 3.44Å; I170-V174 PolarHBondContact O-N 3.25Å; N171-V174 PolarHBondContact O-N 2.59Å; V174-T176 VanDerWaalsContact C-N 3.29Å; V174-T176 PolarHBondContact O-N 2.9Å
175S47.3Very low58Low82 Ų8291.8 Ų91.857%0.57355%0.551SS**Hα-helixtrans-81.27.6171.3-62.40000115.4N171 E172 A173 T179N171-S175 WeakPolarHBondContact O-CB 3.21Å; N171-S175 PolarHBondContact O-N 3.44Å; N171-S175 PolarHBondContact O-OG 3.45Å; E172-S175 CarbonylContact O-C 3.43Å; E172-S175 PolarHBondContact O-N 3.27Å; A173-S175 VanDerWaalsContact C-N 3.26Å; A173-S175 PolarHBondContact O-N 3.25Å; S175-T179 VanDerWaalsContact C-OG1 3.26Å; S175-T179 PolarHBondContact O-OG1 3.39Å
176T48.4Very low59.9Low89 Ų8988.9 Ų88.955%0.54653%0.529SS..Hα-helixtrans-126.9-32.6173.8460000113E172 A173 V174E172-T176 WeakPolarHBondContact O-CB 3.39Å; E172-T176 WeakPolarHBondContact O-CG2 3.42Å; E172-T176 PolarHBondContact O-N 3.01Å; E172-T176 VanDerWaalsContact O-N 3.11Å; E172-T176 PolarHBondContact O-OG1 2.97Å; A173-T176 WeakPolarHBondContact CA-OG1 3.42Å; A173-T176 PolarHBondContact O-N 3.26Å; A173-T176 PolarHBondContact O-OG1 3.37Å; A173-T176 VanDerWaalsContact O-OG1 3.11Å; V174-T176 VanDerWaalsContact C-N 3.29Å; V174-T176 PolarHBondContact O-N 2.9Å
177L50.8Low61.9Low148 Ų14884.3 Ų84.378%0.77550%0.504SS*.Hα-helixtrans-78-14.7177.4-79.994.9000114.6A173A173-L177 HydrophobicContact CB-CD1 3.95Å; A173-L177 WeakPolarHBondContact O-CB 3.22Å; A173-L177 WeakPolarHBondContact O-CD1 3.2Å; A173-L177 PolarHBondContact O-N 3.18Å
178V55.3Low64Low92 Ų9283.2 Ų83.256%0.55849%0.491SS*.SBendtrans-118.5-2.5-179.3179.30000113.1
179T63.7Low65.8Low55 Ų5583.7 Ų83.734%0.33749%0.489SS..SBendtrans-139.318.5-167.531.70000115.8S175 Y183S175-T179 VanDerWaalsContact C-OG1 3.26Å; S175-T179 PolarHBondContact O-OG1 3.39Å; T179-Y183 HydrophobicContact CG2-CD2 4.02Å; T179-Y183 HydrophobicContact CG2-CE2 4.39Å; T179-Y183 HydrophobicContact CG2-CG 4.16Å
180G62Low67.4Low40 Ų4078 Ų7841%0.41246%0.459SS..SBendtrans-86.6-119.9171.500000113.5S182 Y183 D184G180-S182 PolarHBondContact O-N 2.73Å; G180-Y183 PolarHBondContact O-N 3.29Å; G180-D184 PolarHBondContact O-N 2.77Å
181S74.1Confident69Low107 Ų10776.5 Ų76.575%0.74845%0.451SS*.Hα-helixtrans-61.4-39.1-168.7-38.30000115.1Y183 A185S181-Y183 VanDerWaalsContact C-N 3.33Å; S181-A185 WeakPolarHBondContact O-CB 3.43Å; S181-A185 PolarHBondContact O-N 3.31Å
182S75.9Confident70.8Confident93 Ų9377.6 Ų77.665%0.6546%0.456SS*.Hα-helixtrans-69.8-33.3179.6-45.50000112G180 M186G180-S182 PolarHBondContact O-N 2.73Å; S182-M186 WeakPolarHBondContact O-CE 3.25Å; S182-M186 WeakPolarHBondContact O-CG 3.48Å; S182-M186 PolarHBondContact O-N 2.86Å; S182-M186 VanDerWaalsContact O-N 3.1Å
183Y83.4Confident72.5Confident37 Ų3776.7 Ų76.715%0.14546%0.455CS..Hα-helixtrans-72.9-46.7176.9-176.8-95.7000110.7T179 G180 S181 A185 M186 V187 V201 L204 N209T179-Y183 HydrophobicContact CG2-CD2 4.02Å; T179-Y183 HydrophobicContact CG2-CE2 4.39Å; T179-Y183 HydrophobicContact CG2-CG 4.16Å; G180-Y183 PolarHBondContact O-N 3.29Å; S181-Y183 VanDerWaalsContact C-N 3.33Å; Y183-A185 VanDerWaalsContact C-N 3.27Å; Y183-A185 PolarHBondContact O-N 2.77Å; Y183-M186 PolarHBondContact O-N 3.45Å; Y183-V187 HydrophobicContact CD1-CG2 3.99Å; Y183-V187 HydrophobicContact CE1-CG2 3.71Å; Y183-V187 WeakPolarHBondContact O-CB 3.44Å; Y183-V187 VanDerWaalsContact O-CG2 3.27Å; Y183-V187 WeakPolarHBondContact O-CG2 3.33Å; Y183-V187 PolarHBondContact O-N 3.45Å; Y183-V201 HydrophobicContact CE1-CG2 4.14Å; Y183-V201 WeakPolarHBondContact OH-CA 3.24Å; Y183-V201 WeakPolarHBondContact OH-CG1 3.37Å; Y183-V201 WeakPolarHBondContact OH-CG2 3.3Å; Y183-V201 PolarHBondContact OH-O 3.08Å; Y183-L204 HydrophobicContact CD2-CD2 3.7Å; Y183-L204 HydrophobicContact CD2-CG 4.38Å; Y183-L204 HydrophobicContact CE2-CB 4.39Å; Y183-L204 HydrophobicContact CE2-CD2 3.48Å; Y183-L204 VanDerWaalsContact CE2-CD2 3.48Å; Y183-L204 HydrophobicContact CE2-CG 3.9Å; Y183-N209 WeakPolarHBondContact CD2-OD1 3.39Å; Y183-N209 WeakPolarHBondContact CE2-OD1 3.46Å
184D84.6Confident74.4Confident87 Ų8778.2 Ų78.247%0.46547%0.474SS..Hα-helixtrans-59.9-37.8174.2-164.9-104000111.6G180 V187 N188G180-D184 PolarHBondContact O-N 2.77Å; D184-V187 PolarHBondContact O-N 3.29Å; D184-N188 WeakPolarHBondContact O-CB 3.4Å; D184-N188 PolarHBondContact O-N 3.47Å
185A86.6Confident76Confident57 Ų5776.4 Ų76.447%0.47146%0.459SS..Hα-helixtrans-61.9-47.4172.900000113.1S181 Y183 N188 E189S181-A185 WeakPolarHBondContact O-CB 3.43Å; S181-A185 PolarHBondContact O-N 3.31Å; Y183-A185 VanDerWaalsContact C-N 3.27Å; Y183-A185 PolarHBondContact O-N 2.77Å; A185-N188 PolarHBondContact O-N 3.12Å; A185-E189 PolarHBondContact O-N 3.42Å
186M86.4Confident78Confident48 Ų4874 Ų7424%0.23645%0.447CS..Hα-helixtrans-64.3-40.2176.1-72.5-176.1-69.300112.3S182 Y183 N188 E189 M190 L204 N209S182-M186 WeakPolarHBondContact O-CE 3.25Å; S182-M186 WeakPolarHBondContact O-CG 3.48Å; S182-M186 PolarHBondContact O-N 2.86Å; S182-M186 VanDerWaalsContact O-N 3.1Å; Y183-M186 PolarHBondContact O-N 3.45Å; M186-N188 VanDerWaalsContact C-N 3.34Å; M186-E189 PolarHBondContact O-N 3.04Å; M186-M190 HydrophobicContact CB-CE 4.42Å; M186-M190 VanDerWaalsContact O-CE 3.3Å; M186-M190 WeakPolarHBondContact O-CE 3.4Å; M186-M190 PolarHBondContact O-N 3.37Å; M186-M190 VanDerWaalsContact O-N 3.15Å; M186-L204 HydrophobicContact CB-CD2 3.91Å; M186-L204 HydrophobicContact CE-CD2 4.41Å; M186-L204 HydrophobicContact SD-CD1 4.46Å; M186-N209 HydrophobicContact CE-CB 4.42Å
187V88.3Confident79.8Confident4 Ų476.4 Ų76.42%0.02445%0.446CS..Hα-helixtrans-64.3-40.7175.6171.90000110.7Y183 D184 M191 R197 V200 V201 L204Y183-V187 HydrophobicContact CD1-CG2 3.99Å; Y183-V187 HydrophobicContact CE1-CG2 3.71Å; Y183-V187 WeakPolarHBondContact O-CB 3.44Å; Y183-V187 VanDerWaalsContact O-CG2 3.27Å; Y183-V187 WeakPolarHBondContact O-CG2 3.33Å; Y183-V187 PolarHBondContact O-N 3.45Å; D184-V187 PolarHBondContact O-N 3.29Å; V187-M191 VanDerWaalsContact O-CB 3.23Å; V187-M191 WeakPolarHBondContact O-CB 3.44Å; V187-M191 PolarHBondContact O-N 2.9Å; V187-R197 HydrophobicContact CG1-CG 4.03Å; V187-V200 HydrophobicContact CB-CG1 4.2Å; V187-V200 HydrophobicContact CG1-CG1 4.09Å; V187-V200 HydrophobicContact CG2-CG1 4.14Å; V187-V201 HydrophobicContact CG1-CG2 4.39Å; V187-V201 HydrophobicContact CG2-CG2 4.09Å; V187-L204 HydrophobicContact CG2-CD2 3.91Å
188N89.4Confident81.5Confident72 Ų7277.4 Ų77.439%0.38545%0.447SS..Hα-helixtrans-68.2-39.1178.2-166.717000112.1D184 A185 M186 M191 L192D184-N188 WeakPolarHBondContact O-CB 3.4Å; D184-N188 PolarHBondContact O-N 3.47Å; A185-N188 PolarHBondContact O-N 3.12Å; M186-N188 VanDerWaalsContact C-N 3.34Å; N188-M191 PolarHBondContact O-N 2.92Å; N188-M191 WeakPolarHBondContact OD1-CE 3.36Å; N188-L192 WeakPolarHBondContact O-CD1 3.39Å; N188-L192 PolarHBondContact O-N 2.82Å
189E86.3Confident83Confident140 Ų14077.1 Ų77.165%0.65444%0.44SS*.Hα-helixtrans-64-42.6176.3-168.2163.3109.100112.1A185 M186 L192 L193A185-E189 PolarHBondContact O-N 3.42Å; M186-E189 PolarHBondContact O-N 3.04Å; E189-L192 WeakPolarHBondContact O-CB 3.38Å; E189-L192 PolarHBondContact O-N 2.78Å; E189-L193 PolarHBondContact O-N 2.77Å
190M83.8Confident84.2Confident4 Ų474.5 Ų74.52%0.0242%0.423CS..Hα-helixtrans-73.2-28.5173.2-71.7-178.9-80.500113.3M186 L192 L193 V200 L204 P211 A214 V215 L218M186-M190 HydrophobicContact CB-CE 4.42Å; M186-M190 VanDerWaalsContact O-CE 3.3Å; M186-M190 WeakPolarHBondContact O-CE 3.4Å; M186-M190 PolarHBondContact O-N 3.37Å; M186-M190 VanDerWaalsContact O-N 3.15Å; M190-L192 VanDerWaalsContact C-N 3.31Å; M190-L193 WeakPolarHBondContact O-CB 3.42Å; M190-L193 PolarHBondContact O-N 3.16Å; M190-V200 HydrophobicContact CB-CB 4.46Å; M190-V200 HydrophobicContact CB-CG1 3.67Å; M190-V200 HydrophobicContact CB-CG2 3.84Å; M190-V200 HydrophobicContact CE-CG1 3.57Å; M190-V200 HydrophobicContact CG-CG1 4.43Å; M190-V200 HydrophobicContact SD-CG1 4.04Å; M190-L204 HydrophobicContact CE-CB 4.28Å; M190-L204 HydrophobicContact CE-CD1 3.89Å; M190-L204 HydrophobicContact CE-CD2 3.9Å; M190-L204 HydrophobicContact CE-CG 4.25Å; M190-P211 HydrophobicContact CE-CB 4.47Å; M190-A214 HydrophobicContact CE-CB 4.05Å; M190-A214 HydrophobicContact SD-CB 3.61Å; M190-V215 HydrophobicContact CG-CG2 4.11Å; M190-V215 HydrophobicContact SD-CG2 4.05Å; M190-L218 HydrophobicContact SD-CD1 4.34Å
191M88.3Confident85.5Confident74 Ų7475.2 Ų75.237%0.36542%0.419SS..Hα-helixtrans-68-32171-169.4179.569.800111.6V187 N188 L193 G194V187-M191 VanDerWaalsContact O-CB 3.23Å; V187-M191 WeakPolarHBondContact O-CB 3.44Å; V187-M191 PolarHBondContact O-N 2.9Å; N188-M191 PolarHBondContact O-N 2.92Å; N188-M191 WeakPolarHBondContact OD1-CE 3.36Å; M191-L193 PolarHBondContact O-N 2.88Å; M191-G194 PolarHBondContact O-N 3.28Å
192L87.4Confident86.1Confident140 Ų14072.9 Ų72.973%0.73341%0.407SS*.Hα-helixtrans-64-27.8170.4-107.475.8000113N188 E189 M190 G194N188-L192 WeakPolarHBondContact O-CD1 3.39Å; N188-L192 PolarHBondContact O-N 2.82Å; E189-L192 WeakPolarHBondContact O-CB 3.38Å; E189-L192 PolarHBondContact O-N 2.78Å; M190-L192 VanDerWaalsContact C-N 3.31Å; L192-G194 PolarHBondContact O-N 2.75Å
193L84Confident86.6Confident117 Ų11768.8 Ų68.861%0.61338%0.379SS*.THydrogen-bonded Turntrans-76.8-5.2172.3-60.8173.7000113E189 M190 M191 F195 V215E189-L193 PolarHBondContact O-N 2.77Å; M190-L193 WeakPolarHBondContact O-CB 3.42Å; M190-L193 PolarHBondContact O-N 3.16Å; M191-L193 PolarHBondContact O-N 2.88Å; L193-F195 HydrophobicContact CB-CD2 3.84Å; L193-F195 HydrophobicContact CB-CE2 3.83Å; L193-F195 HydrophobicContact CD1-CE2 4.41Å; L193-V215 HydrophobicContact CD1-CG2 4.38Å
194G84.1Confident86.8Confident69 Ų6967 Ų6771%0.71137%0.372SS*.THydrogen-bonded Turntrans96.85.8174.300000115.7M191 L192M191-G194 PolarHBondContact O-N 3.28Å; L192-G194 PolarHBondContact O-N 2.75Å
195F85Confident86.9Confident50 Ų5072.9 Ų72.922%0.21939%0.387CS..  trans-79.9148.1177.8-61-73.7000112.3L193 V200 L218 L219L193-F195 HydrophobicContact CB-CD2 3.84Å; L193-F195 HydrophobicContact CB-CE2 3.83Å; L193-F195 HydrophobicContact CD1-CE2 4.41Å; F195-V200 HydrophobicContact CB-CG2 3.45Å; F195-V200 VanDerWaalsContact CB-CG2 3.45Å; F195-L218 HydrophobicContact CB-CD1 4.11Å; F195-L218 HydrophobicContact CD1-CB 4.04Å; F195-L218 HydrophobicContact CD1-CD1 4.15Å; F195-L218 HydrophobicContact CD1-CD2 4.37Å; F195-L218 HydrophobicContact CD1-CG 4.41Å; F195-L218 HydrophobicContact CD2-CD1 4.02Å; F195-L218 HydrophobicContact CE1-CB 3.95Å; F195-L218 HydrophobicContact CE2-CD1 4.49Å; F195-L218 HydrophobicContact CG-CD1 3.83Å; F195-L218 HydrophobicContact CZ-CB 4.41Å; F195-L219 HydrophobicContact CE1-CD1 4.28Å; F195-L219 HydrophobicContact CZ-CD1 3.89Å
196G90.3Very high86.8Confident31 Ų3173.1 Ų73.132%0.3239%0.389SS..  trans-66.2135.4179.100000111.9E198 E199 V200G196-E198 PolarHBondContact O-N 3.11Å; G196-E198 VanDerWaalsContact O-N 3.09Å; G196-E199 WeakPolarHBondContact CA-OE2 3.43Å; G196-E199 PolarHBondContact N-OE2 3.44Å; G196-E199 VanDerWaalsContact N-OE2 3.11Å; G196-E199 PolarHBondContact O-N 2.74Å; G196-V200 VanDerWaalsContact O-CG2 3.31Å; G196-V200 WeakPolarHBondContact O-CG2 3.29Å; G196-V200 PolarHBondContact O-N 2.86Å
197R86.8Confident86.8Confident139 Ų13971.1 Ų71.153%0.52538%0.38SS..Hα-helixtrans-50-40.1-179.3176.1-179.2-79-151.9-11.3112.7V187 V201V187-R197 HydrophobicContact CG1-CG 4.03Å; R197-V201 HydrophobicContact CG-CG2 4.46Å; R197-V201 VanDerWaalsContact O-CB 3.3Å; R197-V201 WeakPolarHBondContact O-CB 3.25Å; R197-V201 WeakPolarHBondContact O-CG2 3.32Å; R197-V201 PolarHBondContact O-N 2.89Å
198E85.7Confident86.5Confident170 Ų17079 Ų7979%0.79441%0.414SS*.Hα-helixtrans-72.9-39.7-178.4-66.8173101.900112.6G196 V201 A202G196-E198 PolarHBondContact O-N 3.11Å; G196-E198 VanDerWaalsContact O-N 3.09Å; E198-V201 PolarHBondContact O-N 2.95Å; E198-A202 WeakPolarHBondContact O-CB 3.5Å; E198-A202 PolarHBondContact O-N 2.89Å
199E87.6Confident86.4Confident86 Ų8677.9 Ų77.940%0.40241%0.408SS..Hα-helixtrans-64.4-44.3173-57.5172.997.700110.6G196 A202 A203 L218G196-E199 WeakPolarHBondContact CA-OE2 3.43Å; G196-E199 PolarHBondContact N-OE2 3.44Å; G196-E199 VanDerWaalsContact N-OE2 3.11Å; G196-E199 PolarHBondContact O-N 2.74Å; E199-A202 PolarHBondContact O-N 3.45Å; E199-A203 VanDerWaalsContact O-CB 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.46Å; E199-A203 PolarHBondContact O-N 3.36Å; E199-L218 HydrophobicContact CB-CD2 3.59Å
200V88.3Confident86.5Confident0 Ų075 Ų750%040%0.397CS..Hα-helixtrans-61-45176.2172.90000110.8V187 M190 F195 G196 A202 A203 L204 L218V187-V200 HydrophobicContact CB-CG1 4.2Å; V187-V200 HydrophobicContact CG1-CG1 4.09Å; V187-V200 HydrophobicContact CG2-CG1 4.14Å; M190-V200 HydrophobicContact CB-CB 4.46Å; M190-V200 HydrophobicContact CB-CG1 3.67Å; M190-V200 HydrophobicContact CB-CG2 3.84Å; M190-V200 HydrophobicContact CE-CG1 3.57Å; M190-V200 HydrophobicContact CG-CG1 4.43Å; M190-V200 HydrophobicContact SD-CG1 4.04Å; F195-V200 HydrophobicContact CB-CG2 3.45Å; F195-V200 VanDerWaalsContact CB-CG2 3.45Å; G196-V200 VanDerWaalsContact O-CG2 3.31Å; G196-V200 WeakPolarHBondContact O-CG2 3.29Å; G196-V200 PolarHBondContact O-N 2.86Å; V200-A202 VanDerWaalsContact C-N 3.35Å; V200-A202 PolarHBondContact O-N 2.81Å; V200-A203 PolarHBondContact O-N 2.87Å; V200-L204 WeakPolarHBondContact O-CB 3.43Å; V200-L204 PolarHBondContact O-N 2.77Å; V200-L218 HydrophobicContact CG2-CD1 4.01Å
201V88.6Confident86.5Confident54 Ų5477.3 Ų77.333%0.32741%0.413SS..Hα-helixtrans-60.8-42.9175.4157.50000111.4Y183 V187 R197 E198 R205Y183-V201 HydrophobicContact CE1-CG2 4.14Å; Y183-V201 WeakPolarHBondContact OH-CA 3.24Å; Y183-V201 WeakPolarHBondContact OH-CG1 3.37Å; Y183-V201 WeakPolarHBondContact OH-CG2 3.3Å; Y183-V201 PolarHBondContact OH-O 3.08Å; V187-V201 HydrophobicContact CG1-CG2 4.39Å; V187-V201 HydrophobicContact CG2-CG2 4.09Å; R197-V201 HydrophobicContact CG-CG2 4.46Å; R197-V201 VanDerWaalsContact O-CB 3.3Å; R197-V201 WeakPolarHBondContact O-CB 3.25Å; R197-V201 WeakPolarHBondContact O-CG2 3.32Å; R197-V201 PolarHBondContact O-N 2.89Å; E198-V201 PolarHBondContact O-N 2.95Å; V201-R205 VanDerWaalsContact O-CB 3.28Å; V201-R205 WeakPolarHBondContact O-CB 3.46Å; V201-R205 PolarHBondContact O-N 3.22Å
202A86.5Confident86.3Confident58 Ų5880.1 Ų80.148%0.47943%0.429SS..Hα-helixtrans-69.2-45.4178.300000112.5E198 E199 V200 R205 A206E198-A202 WeakPolarHBondContact O-CB 3.5Å; E198-A202 PolarHBondContact O-N 2.89Å; E199-A202 PolarHBondContact O-N 3.45Å; V200-A202 VanDerWaalsContact C-N 3.35Å; V200-A202 PolarHBondContact O-N 2.81Å; A202-R205 WeakPolarHBondContact O-CB 3.32Å; A202-R205 PolarHBondContact O-N 2.71Å; A202-A206 WeakPolarHBondContact O-CB 3.35Å; A202-A206 PolarHBondContact O-N 3.02Å
203A86.9Confident86.3Confident8 Ų880.9 Ų80.97%0.06642%0.422CS..Hα-helixtrans-66.5-40.9177.800000111.7E199 V200 R205 A206 S207 A214 L218E199-A203 VanDerWaalsContact O-CB 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.46Å; E199-A203 PolarHBondContact O-N 3.36Å; V200-A203 PolarHBondContact O-N 2.87Å; A203-R205 VanDerWaalsContact C-N 3.28Å; A203-R205 PolarHBondContact O-N 3Å; A203-A206 PolarHBondContact O-N 2.94Å; A203-S207 WeakPolarHBondContact O-CB 3.46Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.88Å; A203-A214 HydrophobicContact CB-CB 4.23Å; A203-L218 HydrophobicContact CB-CD1 4.26Å; A203-L218 HydrophobicContact CB-CD2 3.9Å; A203-L218 HydrophobicContact CB-CG 3.68Å
204L88.4Confident86.4Confident0 Ų075.3 Ų75.30%039%0.393CS..Hα-helixtrans-67.9-28.8174.8-167.660.3000111.8Y183 M186 V187 M190 V200 S207 F208 N209 A214Y183-L204 HydrophobicContact CD2-CD2 3.7Å; Y183-L204 HydrophobicContact CD2-CG 4.38Å; Y183-L204 HydrophobicContact CE2-CB 4.39Å; Y183-L204 HydrophobicContact CE2-CD2 3.48Å; Y183-L204 VanDerWaalsContact CE2-CD2 3.48Å; Y183-L204 HydrophobicContact CE2-CG 3.9Å; M186-L204 HydrophobicContact CB-CD2 3.91Å; M186-L204 HydrophobicContact CE-CD2 4.41Å; M186-L204 HydrophobicContact SD-CD1 4.46Å; V187-L204 HydrophobicContact CG2-CD2 3.91Å; M190-L204 HydrophobicContact CE-CB 4.28Å; M190-L204 HydrophobicContact CE-CD1 3.89Å; M190-L204 HydrophobicContact CE-CD2 3.9Å; M190-L204 HydrophobicContact CE-CG 4.25Å; V200-L204 WeakPolarHBondContact O-CB 3.43Å; V200-L204 PolarHBondContact O-N 2.77Å; L204-S207 WeakPolarHBondContact CA-OG 3.49Å; L204-S207 PolarHBondContact O-OG 3.23Å; L204-F208 PolarHBondContact O-N 3.36Å; L204-N209 VanDerWaalsContact CD1-C 3.49Å; L204-N209 WeakPolarHBondContact O-CA 3.49Å; L204-N209 PolarHBondContact O-N 2.92Å; L204-A214 HydrophobicContact CB-CB 4.26Å; L204-A214 HydrophobicContact CD1-CB 4.06Å
205R86.4Confident86.5Confident209 Ų20974 Ų7479%0.78937%0.372SS*.Hα-helixtrans-73.1-41.7170.2-170.7179.1-175.5-168.51.9112.2V201 A202 A203 F208V201-R205 VanDerWaalsContact O-CB 3.28Å; V201-R205 WeakPolarHBondContact O-CB 3.46Å; V201-R205 PolarHBondContact O-N 3.22Å; A202-R205 WeakPolarHBondContact O-CB 3.32Å; A202-R205 PolarHBondContact O-N 2.71Å; A203-R205 VanDerWaalsContact C-N 3.28Å; A203-R205 PolarHBondContact O-N 3Å; R205-F208 PolarHBondContact O-N 2.76Å
206A83.7Confident86.5Confident62 Ų6277.5 Ų77.551%0.51239%0.388SS..Hα-helixtrans-70.1-32.217700000112.9A202 A203 F208 Y217A202-A206 WeakPolarHBondContact O-CB 3.35Å; A202-A206 PolarHBondContact O-N 3.02Å; A203-A206 PolarHBondContact O-N 2.94Å; A206-F208 VanDerWaalsContact C-N 3.29Å; A206-F208 PolarHBondContact O-N 3.34Å; A206-Y217 HydrophobicContact CB-CD2 4.49Å
207S86.8Confident86.1Confident6 Ų681.8 Ų81.84%0.04240%0.396CS..THydrogen-bonded Turntrans-84.13177.179.50000114.2A203 L204 N210A203-S207 WeakPolarHBondContact O-CB 3.46Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.88Å; L204-S207 WeakPolarHBondContact CA-OG 3.49Å; L204-S207 PolarHBondContact O-OG 3.23Å; S207-N210 WeakPolarHBondContact CB-O 3.32Å; S207-N210 WeakPolarHBondContact O-CB 3.44Å; S207-N210 PolarHBondContact O-N 2.7Å; S207-N210 PolarHBondContact O-ND2 3.48Å; S207-N210 PolarHBondContact OG-N 3.46Å; S207-N210 PolarHBondContact OG-O 2.95Å
208F83.2Confident86.1Confident170 Ų17075.6 Ų75.675%0.74637%0.373SS*.THydrogen-bonded Turntrans57.351.5-176.4-166.5-101.4000113.2L204 R205 A206 N210L204-F208 PolarHBondContact O-N 3.36Å; R205-F208 PolarHBondContact O-N 2.76Å; A206-F208 VanDerWaalsContact C-N 3.29Å; A206-F208 PolarHBondContact O-N 3.34Å; F208-N210 VanDerWaalsContact C-N 3.27Å; F208-N210 PolarHBondContact O-N 3.23Å; F208-N210 PolarHBondContact O-ND2 3.33Å; F208-N210 VanDerWaalsContact O-ND2 3.08Å
209N86.1Confident85.7Confident49 Ų4973.9 Ų73.926%0.26237%0.369SS..SBendtrans6027.9-179.6-57.2-69.4000115Y183 M186 L204Y183-N209 WeakPolarHBondContact CD2-OD1 3.39Å; Y183-N209 WeakPolarHBondContact CE2-OD1 3.46Å; M186-N209 HydrophobicContact CE-CB 4.42Å; L204-N209 VanDerWaalsContact CD1-C 3.49Å; L204-N209 WeakPolarHBondContact O-CA 3.49Å; L204-N209 PolarHBondContact O-N 2.92Å
210N88.1Confident85.2Confident78 Ų7874.3 Ų74.342%0.41738%0.381SS..  trans-100.4120.9173.2-67.8-80.9000110.2S207 F208 R213 A214S207-N210 WeakPolarHBondContact CB-O 3.32Å; S207-N210 WeakPolarHBondContact O-CB 3.44Å; S207-N210 PolarHBondContact O-N 2.7Å; S207-N210 PolarHBondContact O-ND2 3.48Å; S207-N210 PolarHBondContact OG-N 3.46Å; S207-N210 PolarHBondContact OG-O 2.95Å; F208-N210 VanDerWaalsContact C-N 3.27Å; F208-N210 PolarHBondContact O-N 3.23Å; F208-N210 PolarHBondContact O-ND2 3.33Å; F208-N210 VanDerWaalsContact O-ND2 3.08Å; N210-R213 HydrophobicContact CB-CB 4.26Å; N210-A214 VanDerWaalsContact O-CB 3.25Å; N210-A214 WeakPolarHBondContact O-CB 3.3Å; N210-A214 PolarHBondContact O-N 2.96Å
211P84.1Confident83.9Confident53 Ų5375.4 Ų75.434%0.34439%0.393SS..Hα-helixtrans-68.3-39.8-177.526.1-33.5000112.6M190 A214 V215M190-P211 HydrophobicContact CE-CB 4.47Å; P211-A214 WeakPolarHBondContact O-CB 3.32Å; P211-A214 PolarHBondContact O-N 3.46Å; P211-A214 VanDerWaalsContact O-N 3.12Å; P211-V215 WeakPolarHBondContact O-CG2 3.45Å; P211-V215 PolarHBondContact O-N 2.85Å
212D84.7Confident82.2Confident133 Ų13375.4 Ų75.471%0.71140%0.398SS*.Hα-helixtrans-59.8-52.3179.7-173.6-104.3000111.9A214 V215 E216D212-A214 VanDerWaalsContact C-N 3.33Å; D212-A214 PolarHBondContact O-N 3.3Å; D212-V215 PolarHBondContact O-N 2.83Å; D212-E216 PolarHBondContact O-N 2.9Å
213R86.3Confident80.1Confident157 Ų15778 Ų7859%0.59241%0.412SS*.Hα-helixtrans-66.9-28.9172-77.8-171.1175.3-170.6-1113.5N210 E216 Y217N210-R213 HydrophobicContact CB-CB 4.26Å; R213-E216 PolarHBondContact O-N 3.24Å; R213-Y217 VanDerWaalsContact O-CD2 3.26Å; R213-Y217 WeakPolarHBondContact O-CD2 3.41Å; R213-Y217 PolarHBondContact O-N 2.97Å
214A87.2Confident78.1Confident0 Ų082.1 Ų82.10%044%0.441CS..Hα-helixtrans-65.4-43.1174.300000110.6M190 A203 L204 N210 P211 D212 E216 Y217 L218M190-A214 HydrophobicContact CE-CB 4.05Å; M190-A214 HydrophobicContact SD-CB 3.61Å; A203-A214 HydrophobicContact CB-CB 4.23Å; L204-A214 HydrophobicContact CB-CB 4.26Å; L204-A214 HydrophobicContact CD1-CB 4.06Å; N210-A214 VanDerWaalsContact O-CB 3.25Å; N210-A214 WeakPolarHBondContact O-CB 3.3Å; N210-A214 PolarHBondContact O-N 2.96Å; P211-A214 WeakPolarHBondContact O-CB 3.32Å; P211-A214 PolarHBondContact O-N 3.46Å; P211-A214 VanDerWaalsContact O-N 3.12Å; D212-A214 VanDerWaalsContact C-N 3.33Å; D212-A214 PolarHBondContact O-N 3.3Å; A214-E216 VanDerWaalsContact C-N 3.32Å; A214-E216 PolarHBondContact O-N 3.41Å; A214-Y217 PolarHBondContact O-N 2.92Å; A214-L218 VanDerWaalsContact O-CG 3.24Å; A214-L218 WeakPolarHBondContact O-CG 3.46Å; A214-L218 PolarHBondContact O-N 3.21Å
215V85.1Confident76Confident42 Ų4288.2 Ų88.226%0.25548%0.478SS..Hα-helixtrans-62.1-39.4172.61750000111.1M190 L193 P211 D212 L218 L219M190-V215 HydrophobicContact CG-CG2 4.11Å; M190-V215 HydrophobicContact SD-CG2 4.05Å; L193-V215 HydrophobicContact CD1-CG2 4.38Å; P211-V215 WeakPolarHBondContact O-CG2 3.45Å; P211-V215 PolarHBondContact O-N 2.85Å; D212-V215 PolarHBondContact O-N 2.83Å; V215-L218 PolarHBondContact O-N 2.98Å; V215-L219 WeakPolarHBondContact O-CB 3.48Å; V215-L219 PolarHBondContact O-N 3.33Å
216E85.1Confident73.8Confident122 Ų12287.1 Ų87.157%0.5748%0.482SS*.Hα-helixtrans-61.4-44.5173-166.7-177.690.700112.2D212 R213 A214 L218 L219 S220D212-E216 PolarHBondContact O-N 2.9Å; R213-E216 PolarHBondContact O-N 3.24Å; A214-E216 VanDerWaalsContact C-N 3.32Å; A214-E216 PolarHBondContact O-N 3.41Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.88Å; E216-L219 PolarHBondContact O-N 3.34Å; E216-S220 WeakPolarHBondContact O-CB 3.23Å; E216-S220 PolarHBondContact O-N 3.03Å
217Y83.8Confident71.4Confident121 Ų12193.6 Ų93.648%0.47550%0.502SS..Hα-helixtrans-64.6-33.5174.3-88.7-72.2000113.1A206 R213 A214 G221A206-Y217 HydrophobicContact CB-CD2 4.49Å; R213-Y217 VanDerWaalsContact O-CD2 3.26Å; R213-Y217 WeakPolarHBondContact O-CD2 3.41Å; R213-Y217 PolarHBondContact O-N 2.97Å; A214-Y217 PolarHBondContact O-N 2.92Å; Y217-G221 VanDerWaalsContact O-CA 3.23Å; Y217-G221 WeakPolarHBondContact O-CA 3.05Å; Y217-G221 PolarHBondContact O-N 3.02Å
218L85.2Confident68.9Low9 Ų998.4 Ų98.45%0.04754%0.536CS..Hα-helixtrans-69.4-43.4174.1-69.2163.5000111.4M190 F195 E199 V200 A203 A214 V215 E216 A222M190-L218 HydrophobicContact SD-CD1 4.34Å; F195-L218 HydrophobicContact CB-CD1 4.11Å; F195-L218 HydrophobicContact CD1-CB 4.04Å; F195-L218 HydrophobicContact CD1-CD1 4.15Å; F195-L218 HydrophobicContact CD1-CD2 4.37Å; F195-L218 HydrophobicContact CD1-CG 4.41Å; F195-L218 HydrophobicContact CD2-CD1 4.02Å; F195-L218 HydrophobicContact CE1-CB 3.95Å; F195-L218 HydrophobicContact CE2-CD1 4.49Å; F195-L218 HydrophobicContact CG-CD1 3.83Å; F195-L218 HydrophobicContact CZ-CB 4.41Å; E199-L218 HydrophobicContact CB-CD2 3.59Å; V200-L218 HydrophobicContact CG2-CD1 4.01Å; A203-L218 HydrophobicContact CB-CD1 4.26Å; A203-L218 HydrophobicContact CB-CD2 3.9Å; A203-L218 HydrophobicContact CB-CG 3.68Å; A214-L218 VanDerWaalsContact O-CG 3.24Å; A214-L218 WeakPolarHBondContact O-CG 3.46Å; A214-L218 PolarHBondContact O-N 3.21Å; V215-L218 PolarHBondContact O-N 2.98Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.88Å; L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.21Å
219L78.4Confident66.8Low135 Ų13596.4 Ų96.471%0.70754%0.54SS*.Hα-helixtrans-71.6-33177.8-113.565.6000113.6F195 V215 E216F195-L219 HydrophobicContact CE1-CD1 4.28Å; F195-L219 HydrophobicContact CZ-CD1 3.89Å; V215-L219 WeakPolarHBondContact O-CB 3.48Å; V215-L219 PolarHBondContact O-N 3.33Å; E216-L219 PolarHBondContact O-N 3.34Å
220S76.8Confident64.2Low94 Ų9498.5 Ų98.566%0.65756%0.564SS**Hα-helixtrans-92.8-27.6-175.7-167.90000113.1E216E216-S220 WeakPolarHBondContact O-CB 3.23Å; E216-S220 PolarHBondContact O-N 3.03Å
221G60.8Low62.2Low24 Ų24100.7 Ų100.725%0.24758%0.582CS.*Hα-helixtrans-123.4-13.6-163.800000117.5Y217 S223 S224Y217-G221 VanDerWaalsContact O-CA 3.23Å; Y217-G221 WeakPolarHBondContact O-CA 3.05Å; Y217-G221 PolarHBondContact O-N 3.02Å; G221-S223 PolarHBondContact O-N 2.84Å; G221-S224 PolarHBondContact O-N 2.98Å
222A53.8Low59.7Low53 Ų53101.9 Ų101.944%0.43860%0.604SS.*THydrogen-bonded Turntrans-62.7-13.7-177.700000114.3L218L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.21Å
223S41.5Very low57.9Low112 Ų112100.9 Ų100.978%0.78361%0.605SS**THydrogen-bonded Turntrans-88.31.2173.553.90000115.1G221G221-S223 PolarHBondContact O-N 2.84Å
224S45.5Very low55.3Low95 Ų9599.9 Ų99.966%0.66461%0.611SS**SBendtrans-107.9-6-175.3-64.40000115.7G221 E226G221-S224 PolarHBondContact O-N 2.98Å; S224-E226 PolarHBondContact O-N 2.98Å
225T42.8Very low52.8Low128 Ų128105.8 Ų105.879%0.78565%0.647SS**SBendtrans-94.365.8176.8-54.50000111.4
226E40.7Very low50.4Low187 Ų187110.5 Ų110.587%0.87468%0.677SS**  trans173.290.8141.9-98.1-153.489.500111S224S224-E226 PolarHBondContact O-N 2.98Å
227Q33.2Very low48.1Very low197 Ų197109.5 Ų109.592%0.92169%0.689SS**  trans-158.4132.2135.5-120.3168.3600114.1
228S34.3Very low45.7Very low108 Ų108110.2 Ų110.276%0.75571%0.706SS**  trans-63.2158167.5-106.70000112A230S228-A230 PolarHBondContact O-N 2.94Å
229P39.9Very low43.7Very low128 Ų128115.8 Ų115.883%0.83174%0.743SS**  trans-70.8119.5-172.528.7-34.9000112.3
230A31.6Very low41.4Very low93 Ų93115.2 Ų115.277%0.76975%0.75SS**  trans-106.4119.8165.500000109.5S228 G232S228-A230 PolarHBondContact O-N 2.94Å; A230-G232 PolarHBondContact O-N 2.83Å
231P44.6Very low39.4Very low124 Ų124116.2 Ų116.281%0.80576%0.757SS**  trans-76.9113.9175.530-31.7000110.1P233P231-P233 WeakPolarHBondContact O-CD 3.49Å
232G32.9Very low38Very low77 Ų77118.9 Ų118.979%0.79478%0.784SS**  trans-81.8123.5170.100000111.6A230A230-G232 PolarHBondContact O-N 2.83Å
233P46.1Very low37.1Very low113 Ų113121 Ų12173%0.73480%0.802SS**  trans-89.2173169.436.7-33.7000112.4P231P231-P233 WeakPolarHBondContact O-CD 3.49Å
234D32.3Very low37Very low135 Ų135122.2 Ų122.272%0.72281%0.808SS**  trans68.6109.9178.9-75.9-60.5000116.8
235T34.5Very low36.4Very low124 Ų124122.2 Ų122.276%0.76181%0.813SS**  cis55.98738.665.40000116.5
236T34.3Very low36.1Very low142 Ų142120.7 Ų120.787%0.87181%0.813SS**  trans-125102.4150.154.80000110.5
237A36.9Very low36.4Very low100 Ų100117.2 Ų117.283%0.82681%0.807SS**  trans-87.5148.616900000110.7
238T33.4Very low36.3Very low137 Ų137113.8 Ų113.884%0.8481%0.805SS**  trans-131.3145.2159.946.10000110.1
239P42.9Very low36.2Very low125 Ų125112.5 Ų112.581%0.81281%0.808SS**  trans-93.2151.7-154.735.5-36.2000113.8
240S30.7Very low35.9Very low123 Ų123112.1 Ų112.186%0.8681%0.809SS**  trans-108.7138.7165.8-167.50000110
241S35.5Very low36.1Very low116 Ų116114 Ų11481%0.81181%0.811SS**  trans-152.3136.1-180-77.50000111.2
242G31.5Very low35.8Very low79 Ų79115.2 Ų115.281%0.81481%0.81SS**  trans9894.7162.600000116.4
243A33.5Very low36.3Very low99 Ų99117.8 Ų117.882%0.81881%0.811SS**  trans-76.8154.4145.200000109.1
244P39.7Very low36.3Very low137 Ų137118.7 Ų118.789%0.8982%0.817SS**  -139.9-17996.530.7-12.3000113.9
245A32.5Very low36.4Very low95 Ų95116.6 Ų116.679%0.78582%0.818SS**  trans-112.1148.2-154.900000117.1
246A37.6Very low36.5Very low95 Ų95118.3 Ų118.379%0.78582%0.823SS**  trans65.4167.1144.800000119.3
247P46Very low36.7Very low114 Ų114117.9 Ų117.974%0.7482%0.82SS**  cis-131.6-175.8-2.241.3-24.5000116.2
248S32.3Very low36.5Very low125 Ų125116.1 Ų116.187%0.87481%0.812SS**  trans88.1122.2157-56.90000119.8
249G32.2Very low36.6Very low81 Ų81115.4 Ų115.484%0.83581%0.812SS**  trans16090.8168.900000113.5
250S33.7Very low36.1Very low120 Ų120115 Ų11584%0.83981%0.813SS**  trans-79.8124.1179.4176.70000112.5
251V34.1Very low36.6Very low134 Ų134115.2 Ų115.281%0.81281%0.811SS**  trans-158.9148.2145.3113.60000112.2
252N39.4Very low36.6Very low148 Ų148114.8 Ų114.879%0.79181%0.808SS**  trans-62.9134.6-165-55.5-17.2000116.3
253T43.2Very low37.4Very low132 Ų132115.7 Ų115.781%0.8181%0.808SS**  trans-139.9147.8137.3470000109.6
254P45.6Very low37.8Very low131 Ų131116.8 Ų116.885%0.85181%0.805SS**  trans-77.6135.5-168.2-1531.2000113.4
255A34.9Very low37.9Very low91 Ų91115 Ų11575%0.75280%0.802SS**  trans-74.7136.216400000110.6
256N37.3Very low38.5Very low160 Ų160113.7 Ų113.786%0.85680%0.797SS**  trans-133.779.6151.5-171.117.3000109.6
257T38.5Very low39.2Very low133 Ų133115.6 Ų115.682%0.81680%0.799SS**  trans-95.2122.6167.745.80000109.7
258G31.4Very low39.9Very low64 Ų64113.3 Ų113.366%0.6678%0.78SS**  trans124.284.7156.300000116.2
259S35.4Very low41.6Very low121 Ų121109.3 Ų109.385%0.84675%0.751SS**  171.661.6126.8-750000111.4
260S32.3Very low43.5Very low118 Ų118105.4 Ų105.483%0.82571%0.711SS**PPolyproline II helixtrans-83.3118.1156.5-58.50000107.5S262S260-S262 PolarHBondContact O-N 2.99Å
261P42.1Very low45.6Very low127 Ų127102.6 Ų102.683%0.82569%0.691SS**PPolyproline II helixtrans-64.1133.8170.926.9-32000109
262S35.3Very low47.8Very low107 Ų107101.8 Ų101.875%0.74868%0.677SS**PPolyproline II helixtrans-61.7134.9-175.9-169.10000111.9S260 T264S260-S262 PolarHBondContact O-N 2.99Å; S262-T264 VanDerWaalsContact C-N 3.34Å; S262-T264 PolarHBondContact O-N 3.36Å
263A47.2Very low49.5Very low97 Ų9795 Ų9580%0.80264%0.641SS**SBendtrans-75.980.5172.400000111.1
264T42.4Very low51.3Low123 Ų12393.4 Ų93.476%0.75562%0.62SS**  trans-155.768.3167.8-1.80000114.2S262S262-T264 VanDerWaalsContact C-N 3.34Å; S262-T264 PolarHBondContact O-N 3.36Å
265A41.6Very low52.9Low100 Ų10093.5 Ų93.583%0.82661%0.613SS**SBendtrans-176.8108.6148.400000109.6
266G46.2Very low55.2Low66 Ų6692.8 Ų92.868%0.6860%0.595SS**  trans48.275.4166.400000115.7N268G266-N268 VanDerWaalsContact C-N 3.27Å; G266-N268 PolarHBondContact O-N 3.26Å; G266-N268 PolarHBondContact O-ND2 2.96Å
267T50.9Low57.2Low135 Ų13589.8 Ų89.883%0.82858%0.584SS**  trans-569516142.40000108.6P269T267-P269 WeakPolarHBondContact O-CD 3.48Å; T267-P269 VanDerWaalsContact O-N 3.14Å
268N62.2Low59.2Low67 Ų6789.8 Ų89.836%0.35857%0.574SS.*  trans-64.9108.5169.3-95.3-101.1000106.4G266 L270 S271 Q317G266-N268 VanDerWaalsContact C-N 3.27Å; G266-N268 PolarHBondContact O-N 3.26Å; G266-N268 PolarHBondContact O-ND2 2.96Å; N268-L270 PolarHBondContact O-N 3.45Å; N268-S271 WeakPolarHBondContact O-CB 3.44Å; N268-S271 PolarHBondContact O-N 3.06Å; N268-Q317 WeakPolarHBondContact OD1-CB 2.94Å; N268-Q317 WeakPolarHBondContact OD1-CG 3.3Å
269P68.2Low61.4Low40 Ų4087 Ų8726%0.2654%0.544SS..G310 helixtrans-64-28.9-178.726.4-31000110T267 S271 F272 E310 H314T267-P269 WeakPolarHBondContact O-CD 3.48Å; T267-P269 VanDerWaalsContact O-N 3.14Å; P269-S271 VanDerWaalsContact C-N 3.26Å; P269-S271 PolarHBondContact O-N 3.4Å; P269-F272 WeakPolarHBondContact O-CD1 3.23Å; P269-F272 WeakPolarHBondContact O-CE1 3.23Å; P269-E310 HydrophobicContact CB-CG 4.01Å; P269-E310 HydrophobicContact CG-CG 4.06Å; P269-H314 WeakPolarHBondContact CG-CE1 3.48Å; P269-H314 WeakPolarHBondContact CG-ND1 2.99Å
270L71.1Confident63.7Low0 Ų084.3 Ų84.30%052%0.518CS..G310 helixtrans-772.7173.9-58.6177000115N268 F272 L273 L307 E310 I311 H314 F318 M321N268-L270 PolarHBondContact O-N 3.45Å; L270-F272 PolarHBondContact O-N 3Å; L270-L273 HydrophobicContact CB-CD1 3.99Å; L270-L273 HydrophobicContact CD2-CD1 3.68Å; L270-L273 HydrophobicContact CG-CD1 4.46Å; L270-L273 WeakPolarHBondContact O-CB 3.48Å; L270-L273 WeakPolarHBondContact O-CD1 3.45Å; L270-L273 PolarHBondContact O-N 2.92Å; L270-L307 HydrophobicContact CD2-CD1 4Å; L270-E310 HydrophobicContact CD2-CB 4.13Å; L270-E310 HydrophobicContact CD2-CG 3.86Å; L270-E310 HydrophobicContact CG-CG 4.44Å; L270-I311 HydrophobicContact CD1-CG1 4.39Å; L270-I311 HydrophobicContact CD2-CG1 3.81Å; L270-H314 HydrophobicContact CD1-CB 3.56Å; L270-H314 WeakPolarHBondContact CD1-O 3.12Å; L270-H314 HydrophobicContact CG-CB 4.05Å; L270-F318 HydrophobicContact CD1-CB 3.84Å; L270-F318 HydrophobicContact CD1-CD2 4.19Å; L270-M321 HydrophobicContact CB-CE 3.54Å; L270-M321 HydrophobicContact CD1-CE 4.42Å
271S78.2Confident66Low60 Ų6083.4 Ų83.442%0.4251%0.507SS..G310 helixtrans-62-26.4-178.4-171.80000113.1N268 P269 L273 R274N268-S271 WeakPolarHBondContact O-CB 3.44Å; N268-S271 PolarHBondContact O-N 3.06Å; P269-S271 VanDerWaalsContact C-N 3.26Å; P269-S271 PolarHBondContact O-N 3.4Å; S271-L273 VanDerWaalsContact C-N 3.3Å; S271-L273 PolarHBondContact O-N 3.37Å; S271-R274 WeakPolarHBondContact O-CB 3.47Å; S271-R274 PolarHBondContact O-N 3.37Å
272F79.5Confident67.5Low118 Ų11877.7 Ų77.752%0.51847%0.47SS..G310 helixtrans-67.1-30.8173.971.4-94.9000112.5P269 L270 R274 N275 Q276 L307P269-F272 WeakPolarHBondContact O-CD1 3.23Å; P269-F272 WeakPolarHBondContact O-CE1 3.23Å; L270-F272 PolarHBondContact O-N 3Å; F272-R274 VanDerWaalsContact C-N 3.3Å; F272-R274 PolarHBondContact O-N 3.22Å; F272-N275 PolarHBondContact O-N 3.14Å; F272-Q276 PolarHBondContact O-N 2.94Å; F272-L307 HydrophobicContact CZ-CD1 4.04Å
273L76.8Confident69.7Low6 Ų672.8 Ų72.83%0.03144%0.435CS..G310 helixtrans-63-42.2174.7-74.781.9000109.7L270 S271 N275 Q276 F279 L307 I311 F318L270-L273 HydrophobicContact CB-CD1 3.99Å; L270-L273 HydrophobicContact CD2-CD1 3.68Å; L270-L273 HydrophobicContact CG-CD1 4.46Å; L270-L273 WeakPolarHBondContact O-CB 3.48Å; L270-L273 WeakPolarHBondContact O-CD1 3.45Å; L270-L273 PolarHBondContact O-N 2.92Å; S271-L273 VanDerWaalsContact C-N 3.3Å; S271-L273 PolarHBondContact O-N 3.37Å; L273-N275 PolarHBondContact O-N 2.95Å; L273-Q276 WeakPolarHBondContact O-CB 3.47Å; L273-Q276 PolarHBondContact O-N 3Å; L273-F279 HydrophobicContact CB-CB 4.28Å; L273-F279 HydrophobicContact CB-CD2 3.73Å; L273-F279 HydrophobicContact CB-CE2 4.17Å; L273-F279 HydrophobicContact CB-CG 3.98Å; L273-F279 HydrophobicContact CD2-CD2 3.97Å; L273-F279 HydrophobicContact CD2-CE2 4.26Å; L273-F279 HydrophobicContact CG-CD2 4.48Å; L273-F279 WeakPolarHBondContact O-CB 3.38Å; L273-F279 WeakPolarHBondContact O-CG 3.29Å; L273-L307 HydrophobicContact CD1-CD1 3.7Å; L273-L307 HydrophobicContact CD2-CD1 4Å; L273-L307 HydrophobicContact CD2-CD2 4.31Å; L273-L307 HydrophobicContact CG-CD1 4.26Å; L273-I311 HydrophobicContact CD2-CD1 4.24Å; L273-F318 HydrophobicContact CD2-CD2 4.34Å; L273-F318 HydrophobicContact CD2-CE2 3.92Å
274R79.4Confident71.3Confident98 Ų9873.9 Ų73.937%0.3742%0.424SS..G310 helixtrans-54.6-22.6178.7-157.1-169.168.2139.73.2113.3S271 F272 Q280 M321S271-R274 WeakPolarHBondContact O-CB 3.47Å; S271-R274 PolarHBondContact O-N 3.37Å; F272-R274 VanDerWaalsContact C-N 3.3Å; F272-R274 PolarHBondContact O-N 3.22Å; R274-Q280 PolarHBondContact O-NE2 3.3Å; R274-M321 HydrophobicContact CB-SD 3.98Å; R274-M321 HydrophobicContact CG-SD 4.24Å
275N79.4Confident73.1Confident132 Ų13271 Ų7171%0.70640%0.403SS*.G310 helixtrans-107.88.4177.9-147.7102.1000113.7F272 L273F272-N275 PolarHBondContact O-N 3.14Å; L273-N275 PolarHBondContact O-N 2.95Å
276Q83.8Confident75Confident77 Ų7766.9 Ų66.936%0.3637%0.367SS..SBendtrans-101.3127.9-179.1-161.5-171.48900109.7F272 L273 Q278 F279 Q280F272-Q276 PolarHBondContact O-N 2.94Å; L273-Q276 WeakPolarHBondContact O-CB 3.47Å; L273-Q276 PolarHBondContact O-N 3Å; Q276-Q278 HydrophobicContact CG-CB 4.47Å; Q276-Q278 PolarHBondContact O-N 2.93Å; Q276-F279 WeakPolarHBondContact O-CA 3.32Å; Q276-F279 VanDerWaalsContact O-CB 3.3Å; Q276-F279 WeakPolarHBondContact O-CB 3.11Å; Q276-F279 PolarHBondContact O-N 2.97Å; Q276-Q280 VanDerWaalsContact C-OE1 3.25Å; Q276-Q280 PolarHBondContact O-N 3.28Å; Q276-Q280 PolarHBondContact O-OE1 2.84Å
277P79.2Confident76.7Confident96 Ų9669.3 Ų69.362%0.62336%0.361SS*.Hα-helixtrans-58.9-29-172.121.6-34.1000114.3F279 Q280 V281P277-F279 PolarHBondContact O-N 3.47Å; P277-Q280 PolarHBondContact O-N 2.97Å; P277-V281 WeakPolarHBondContact O-CG2 3.31Å; P277-V281 PolarHBondContact O-N 3.39Å; P277-V281 VanDerWaalsContact O-N 3.09Å
278Q79.6Confident78.3Confident133 Ų13370.3 Ų70.362%0.62136%0.356SS*.Hα-helixtrans-51.9-42.2169.4-67.2-77.3-1.700111.9Q276 V281 M282Q276-Q278 HydrophobicContact CG-CB 4.47Å; Q276-Q278 PolarHBondContact O-N 2.93Å; Q278-V281 PolarHBondContact O-N 2.8Å; Q278-M282 WeakPolarHBondContact O-CB 3.43Å; Q278-M282 PolarHBondContact O-N 3.47Å
279F78.8Confident79.3Confident6 Ų670.1 Ų70.13%0.02636%0.355CS..Hα-helixtrans-77.6-32.2-179.2-166.7-99.2000113.2L273 Q276 P277 V281 M282 R283 F318 M321 L322L273-F279 HydrophobicContact CB-CB 4.28Å; L273-F279 HydrophobicContact CB-CD2 3.73Å; L273-F279 HydrophobicContact CB-CE2 4.17Å; L273-F279 HydrophobicContact CB-CG 3.98Å; L273-F279 HydrophobicContact CD2-CD2 3.97Å; L273-F279 HydrophobicContact CD2-CE2 4.26Å; L273-F279 HydrophobicContact CG-CD2 4.48Å; L273-F279 WeakPolarHBondContact O-CB 3.38Å; L273-F279 WeakPolarHBondContact O-CG 3.29Å; Q276-F279 WeakPolarHBondContact O-CA 3.32Å; Q276-F279 VanDerWaalsContact O-CB 3.3Å; Q276-F279 WeakPolarHBondContact O-CB 3.11Å; Q276-F279 PolarHBondContact O-N 2.97Å; P277-F279 PolarHBondContact O-N 3.47Å; F279-V281 VanDerWaalsContact C-N 3.34Å; F279-M282 PolarHBondContact O-N 3.31Å; F279-R283 WeakPolarHBondContact O-CB 3.27Å; F279-R283 PolarHBondContact O-N 3.01Å; F279-F318 HydrophobicContact CD2-CE2 4.28Å; F279-F318 AromaticContact CE2-CD2 3.97Å; F279-F318 HydrophobicContact CE2-CD2 3.97Å; F279-F318 AromaticContact CE2-CE2 3.66Å; F279-F318 HydrophobicContact CE2-CE2 3.66Å; F279-F318 HydrophobicContact CE2-CZ 4.34Å; F279-M321 HydrophobicContact CE1-CB 3.98Å; F279-M321 HydrophobicContact CZ-CB 3.64Å; F279-M321 HydrophobicContact CZ-CE 4.4Å; F279-L322 HydrophobicContact CD2-CD1 4.38Å; F279-L322 HydrophobicContact CE2-CD1 3.45Å; F279-L322 VanDerWaalsContact CE2-CD1 3.45Å; F279-L322 HydrophobicContact CZ-CD1 3.54Å
280Q82.9Confident79.9Confident64 Ų6473 Ų7330%0.29937%0.374SS..Hα-helixtrans-59.2-47.3168.4-88.469.45100110.7R274 Q276 P277 R283 Q284R274-Q280 PolarHBondContact O-NE2 3.3Å; Q276-Q280 VanDerWaalsContact C-OE1 3.25Å; Q276-Q280 PolarHBondContact O-N 3.28Å; Q276-Q280 PolarHBondContact O-OE1 2.84Å; P277-Q280 PolarHBondContact O-N 2.97Å; Q280-R283 PolarHBondContact O-N 3.3Å; Q280-Q284 WeakPolarHBondContact O-CB 3.42Å; Q280-Q284 PolarHBondContact O-N 3.08Å
281V82Confident80.6Confident99 Ų9976.2 Ų76.260%0.640%0.4SS*.Hα-helixtrans-64.1-43.2176.7176.90000110.6P277 Q278 F279 Q284 L285P277-V281 WeakPolarHBondContact O-CG2 3.31Å; P277-V281 PolarHBondContact O-N 3.39Å; P277-V281 VanDerWaalsContact O-N 3.09Å; Q278-V281 PolarHBondContact O-N 2.8Å; F279-V281 VanDerWaalsContact C-N 3.34Å; V281-Q284 PolarHBondContact O-N 2.82Å; V281-L285 VanDerWaalsContact O-CB 3.26Å; V281-L285 WeakPolarHBondContact O-CB 3.32Å; V281-L285 PolarHBondContact O-N 3.32Å
282M73.8Confident80.7Confident7 Ų776 Ų763%0.03439%0.394CS..Hα-helixtrans-59.7-46.5175.3-179.6162-167.200112.6Q278 F279 Q284 L285 I286 L296 I300 F318 L322Q278-M282 WeakPolarHBondContact O-CB 3.43Å; Q278-M282 PolarHBondContact O-N 3.47Å; F279-M282 PolarHBondContact O-N 3.31Å; M282-Q284 PolarHBondContact O-N 3.34Å; M282-L285 PolarHBondContact O-N 3.37Å; M282-I286 WeakPolarHBondContact O-CB 3.39Å; M282-I286 PolarHBondContact O-N 2.91Å; M282-L296 HydrophobicContact CB-CD2 3.96Å; M282-L296 HydrophobicContact CE-CB 4.15Å; M282-L296 HydrophobicContact CE-CD2 3.73Å; M282-L296 HydrophobicContact CE-CG 3.84Å; M282-L296 HydrophobicContact CG-CD2 3.52Å; M282-L296 HydrophobicContact SD-CD2 3.56Å; M282-L296 VanDerWaalsContact SD-CD2 3.56Å; M282-L296 HydrophobicContact SD-CG 3.91Å; M282-I300 HydrophobicContact SD-CD1 4.04Å; M282-F318 HydrophobicContact CE-CE1 3.75Å; M282-F318 HydrophobicContact CE-CZ 3.45Å; M282-F318 VanDerWaalsContact CE-CZ 3.45Å; M282-F318 HydrophobicContact SD-CZ 3.71Å; M282-L322 HydrophobicContact CE-CD2 4.24Å; M282-L322 HydrophobicContact CG-CD1 4.43Å
283R80Confident80.7Confident4 Ų472.6 Ų72.62%0.01538%0.381CS..Hα-helixtrans-58.2-48.2176-178.2-176-76.1-169.77.4110.4F279 Q280 L285 I286 Q287 M321 E324 P325 P327F279-R283 WeakPolarHBondContact O-CB 3.27Å; F279-R283 PolarHBondContact O-N 3.01Å; Q280-R283 PolarHBondContact O-N 3.3Å; R283-L285 VanDerWaalsContact C-N 3.33Å; R283-L285 PolarHBondContact O-N 2.88Å; R283-I286 PolarHBondContact O-N 3.37Å; R283-Q287 VanDerWaalsContact O-CB 3.29Å; R283-Q287 WeakPolarHBondContact O-CB 3.24Å; R283-Q287 PolarHBondContact O-N 3.29Å; R283-M321 PolarHBondContact NE-O 3Å; R283-M321 PolarHBondContact NH2-O 3.23Å; R283-E324 VanDerWaalsContact CD-O 3.28Å; R283-E324 WeakPolarHBondContact CD-O 3.39Å; R283-E324 IonicContact CZ-OE1 3.03Å; R283-E324 PolarHBondContact NE-O 2.97Å; R283-E324 VanDerWaalsContact NE-O 3.17Å; R283-E324 PolarHBondContact NH1-O 3.12Å; R283-E324 IonicContact NH1-OE1 2.81Å; R283-E324 PolarHBondContact NH1-OE1 3.38Å; R283-E324 IonicContact NH2-OE1 3.35Å; R283-E324 PolarHBondContact NH2-OE1 3Å; R283-P325 VanDerWaalsContact NH1-C 3.33Å; R283-P325 PolarHBondContact NH1-O 2.92Å; R283-P327 VanDerWaalsContact NH1-CD 3.26Å
284Q82.4Confident80.9Confident121 Ų12176.1 Ų76.157%0.56540%0.404SS*.Hα-helixtrans-62.7-39.1179.3-173.658.778.200112.6Q280 V281 M282 Q288Q280-Q284 WeakPolarHBondContact O-CB 3.42Å; Q280-Q284 PolarHBondContact O-N 3.08Å; V281-Q284 PolarHBondContact O-N 2.82Å; M282-Q284 PolarHBondContact O-N 3.34Å; Q284-Q288 PolarHBondContact O-N 3.31Å
285L80Confident81.1Confident63 Ų6375.7 Ų75.733%0.3341%0.412SS..Hα-helixtrans-72.3-40.3179.2-17363.9000112V281 M282 R283 Q288 N289 L292V281-L285 VanDerWaalsContact O-CB 3.26Å; V281-L285 WeakPolarHBondContact O-CB 3.32Å; V281-L285 PolarHBondContact O-N 3.32Å; M282-L285 PolarHBondContact O-N 3.37Å; R283-L285 VanDerWaalsContact C-N 3.33Å; R283-L285 PolarHBondContact O-N 2.88Å; L285-Q288 PolarHBondContact O-N 3.18Å; L285-N289 PolarHBondContact O-N 3.03Å; L285-L292 HydrophobicContact CD1-CD1 3.67Å; L285-L292 HydrophobicContact CD2-CD1 3.97Å; L285-L292 HydrophobicContact CG-CD1 3.71Å
286I80.4Confident81Confident13 Ų1371.4 Ų71.47%0.06739%0.39CS..Hα-helixtrans-68-37.7177.5-125.969.3000112.2M282 R283 Q288 N289 L293 L322M282-I286 WeakPolarHBondContact O-CB 3.39Å; M282-I286 PolarHBondContact O-N 2.91Å; R283-I286 PolarHBondContact O-N 3.37Å; I286-Q288 PolarHBondContact O-N 3.31Å; I286-N289 CarbonylContact O-C 3.55Å; I286-N289 VanDerWaalsContact O-C 3.29Å; I286-N289 PolarHBondContact O-N 3.25Å; I286-L293 HydrophobicContact CD1-CB 3.75Å; I286-L293 HydrophobicContact CD1-CG 4.14Å; I286-L293 HydrophobicContact CG1-CB 4.21Å; I286-L293 HydrophobicContact CG1-CD1 4.3Å; I286-L293 HydrophobicContact CG1-CG 4.35Å; I286-L322 HydrophobicContact CB-CD2 4.11Å; I286-L322 HydrophobicContact CB-CG 4.41Å; I286-L322 HydrophobicContact CD1-CD2 4.44Å; I286-L322 HydrophobicContact CG1-CD2 3.78Å; I286-L322 HydrophobicContact CG2-CB 4.12Å; I286-L322 HydrophobicContact CG2-CD2 3.86Å; I286-L322 HydrophobicContact CG2-CG 3.82Å
287Q82.2Confident80.8Confident116 Ų11669.9 Ų69.954%0.54238%0.384SS..Hα-helixtrans-71.1-21.9179.1-166.1160.652.300111.7R283R283-Q287 VanDerWaalsContact O-CB 3.29Å; R283-Q287 WeakPolarHBondContact O-CB 3.24Å; R283-Q287 PolarHBondContact O-N 3.29Å
288Q84.4Confident80.9Confident156 Ų15672.1 Ų72.173%0.72939%0.386SS*.Hα-helixtrans-86.5-36.6168.9-174175.495.300112.7Q284 L285 I286Q284-Q288 PolarHBondContact O-N 3.31Å; L285-Q288 PolarHBondContact O-N 3.18Å; I286-Q288 PolarHBondContact O-N 3.31Å
289N82.4Confident81.1Confident64 Ų6471.2 Ų71.234%0.34238%0.381SS..  trans-149.398.6-176.8-169.91.6000112.8L285 I286 A291 L292L285-N289 PolarHBondContact O-N 3.03Å; I286-N289 CarbonylContact O-C 3.55Å; I286-N289 VanDerWaalsContact O-C 3.29Å; I286-N289 PolarHBondContact O-N 3.25Å; N289-A291 PolarHBondContact O-N 3.28Å; N289-A291 WeakPolarHBondContact OD1-CB 3.43Å; N289-A291 PolarHBondContact OD1-N 3.08Å; N289-L292 HydrophobicContact CB-CD1 4.01Å; N289-L292 HydrophobicContact CB-CG 4.23Å; N289-L292 PolarHBondContact O-N 2.9Å
290P81.9Confident80.9Confident101 Ų10172.3 Ų72.366%0.65639%0.387SS*.G310 helixtrans-68-16.5-177.827.4-35000113.7L292 L293P290-L292 PolarHBondContact O-N 3.46Å; P290-L293 PolarHBondContact O-N 3.42Å
291A85.5Confident80.7Confident66 Ų6670.2 Ų70.255%0.54538%0.383SS..G310 helixtrans-72.4-10.5178.400000113.9N289 P294N289-A291 PolarHBondContact O-N 3.28Å; N289-A291 WeakPolarHBondContact OD1-CB 3.43Å; N289-A291 PolarHBondContact OD1-N 3.08Å; A291-P294 WeakPolarHBondContact O-CD 3.46Å; A291-P294 WeakPolarHBondContact O-CG 3.38Å
292L80.8Confident81Confident56 Ų5676 Ų7629%0.29339%0.394SS..G310 helixtrans-85.8-10178.7-64176.5000113.7L285 N289 P290 T295 L296L285-L292 HydrophobicContact CD1-CD1 3.67Å; L285-L292 HydrophobicContact CD2-CD1 3.97Å; L285-L292 HydrophobicContact CG-CD1 3.71Å; N289-L292 HydrophobicContact CB-CD1 4.01Å; N289-L292 HydrophobicContact CB-CG 4.23Å; N289-L292 PolarHBondContact O-N 2.9Å; P290-L292 PolarHBondContact O-N 3.46Å; L292-T295 PolarHBondContact O-N 3.19Å; L292-L296 WeakPolarHBondContact O-CB 3.3Å; L292-L296 PolarHBondContact O-N 3.29Å
293L78.5Confident81.3Confident47 Ų4782.1 Ų82.125%0.24642%0.422CS..Hα-helixtrans-54.4-52.8176.5-153165000112.9I286 P290 T295 L296 L297 L322I286-L293 HydrophobicContact CD1-CB 3.75Å; I286-L293 HydrophobicContact CD1-CG 4.14Å; I286-L293 HydrophobicContact CG1-CB 4.21Å; I286-L293 HydrophobicContact CG1-CD1 4.3Å; I286-L293 HydrophobicContact CG1-CG 4.35Å; P290-L293 PolarHBondContact O-N 3.42Å; L293-T295 PolarHBondContact O-N 2.92Å; L293-L296 PolarHBondContact O-N 2.88Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.41Å; L293-L322 HydrophobicContact CD1-CD2 3.89Å; L293-L322 HydrophobicContact CG-CD2 4.26Å
294P81.1Confident81.1Confident80 Ų8086.1 Ų86.152%0.51944%0.444SS..Hα-helixtrans-61.2-40.1178.423.2-35000113A291 L297 Q298A291-P294 WeakPolarHBondContact O-CD 3.46Å; A291-P294 WeakPolarHBondContact O-CG 3.38Å; P294-L297 PolarHBondContact O-N 3.31Å; P294-Q298 WeakPolarHBondContact O-CB 3.45Å; P294-Q298 PolarHBondContact O-N 2.88Å
295T84.5Confident81.2Confident88 Ų8884.4 Ų84.454%0.5444%0.444SS..Hα-helixtrans-63.6-44.4178-50.50000111.6L292 L293 Q298 E299L292-T295 PolarHBondContact O-N 3.19Å; L293-T295 PolarHBondContact O-N 2.92Å; T295-Q298 VanDerWaalsContact O-CB 3.3Å; T295-Q298 WeakPolarHBondContact O-CB 3.29Å; T295-Q298 PolarHBondContact O-N 3.48Å; T295-E299 PolarHBondContact O-N 3.35Å
296L76.3Confident81.4Confident43 Ų4389.7 Ų89.723%0.22547%0.466CS..Hα-helixtrans-75.4-29-178.5-170.548.9000112.3M282 L292 L293 Q298 E299 I300M282-L296 HydrophobicContact CB-CD2 3.96Å; M282-L296 HydrophobicContact CE-CB 4.15Å; M282-L296 HydrophobicContact CE-CD2 3.73Å; M282-L296 HydrophobicContact CE-CG 3.84Å; M282-L296 HydrophobicContact CG-CD2 3.52Å; M282-L296 HydrophobicContact SD-CD2 3.56Å; M282-L296 VanDerWaalsContact SD-CD2 3.56Å; M282-L296 HydrophobicContact SD-CG 3.91Å; L292-L296 WeakPolarHBondContact O-CB 3.3Å; L292-L296 PolarHBondContact O-N 3.29Å; L293-L296 PolarHBondContact O-N 2.88Å; L296-Q298 VanDerWaalsContact C-N 3.33Å; L296-E299 HydrophobicContact CD1-CB 4.22Å; L296-E299 PolarHBondContact O-N 3.42Å; L296-I300 HydrophobicContact CD1-CD1 4.45Å; L296-I300 HydrophobicContact CG-CD1 4.22Å; L296-I300 WeakPolarHBondContact O-CB 3.45Å; L296-I300 VanDerWaalsContact O-CG1 3.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.46Å; L296-I300 PolarHBondContact O-N 3.49Å
297L79.8Confident81.3Confident45 Ų4590.2 Ų90.224%0.23647%0.469CS..Hα-helixtrans-67.1-35.3168.3-169.266.4000111.6L293 P294 G301 L308 I311L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.41Å; P294-L297 PolarHBondContact O-N 3.31Å; L297-G301 PolarHBondContact O-N 2.84Å; L297-L308 HydrophobicContact CD1-CD1 3.6Å; L297-L308 HydrophobicContact CG-CD1 3.83Å; L297-I311 HydrophobicContact CD1-CG2 3.71Å
298Q82.2Confident81.4Confident142 Ų14287.5 Ų87.566%0.66446%0.458SS*.Hα-helixtrans-65.9-40.3172.2-16178.543.900111.6P294 T295 L296 G301 R302P294-Q298 WeakPolarHBondContact O-CB 3.45Å; P294-Q298 PolarHBondContact O-N 2.88Å; T295-Q298 VanDerWaalsContact O-CB 3.3Å; T295-Q298 WeakPolarHBondContact O-CB 3.29Å; T295-Q298 PolarHBondContact O-N 3.48Å; L296-Q298 VanDerWaalsContact C-N 3.33Å; Q298-G301 PolarHBondContact O-N 2.84Å; Q298-R302 WeakPolarHBondContact O-CG 3.42Å; Q298-R302 PolarHBondContact O-N 3.29Å
299E82.4Confident81.3Confident114 Ų11486.8 Ų86.853%0.53346%0.455SS..Hα-helixtrans-65.1-54.1176.6-158.5107.6118.500110.9T295 L296 G301 R302 E303T295-E299 PolarHBondContact O-N 3.35Å; L296-E299 HydrophobicContact CD1-CB 4.22Å; L296-E299 PolarHBondContact O-N 3.42Å; E299-G301 PolarHBondContact O-N 3.41Å; E299-R302 WeakPolarHBondContact O-CA 3.39Å; E299-R302 PolarHBondContact O-N 3.42Å; E299-E303 PolarHBondContact O-N 2.87Å
300I75.5Confident81.3Confident30 Ų3087.1 Ų87.115%0.15445%0.454CS..Hα-helixtrans-57.5-36.6175.3-71.2165.6000111.1M282 L296 R302 E303 N304 L307 I311M282-I300 HydrophobicContact SD-CD1 4.04Å; L296-I300 HydrophobicContact CD1-CD1 4.45Å; L296-I300 HydrophobicContact CG-CD1 4.22Å; L296-I300 WeakPolarHBondContact O-CB 3.45Å; L296-I300 VanDerWaalsContact O-CG1 3.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.46Å; L296-I300 PolarHBondContact O-N 3.49Å; I300-R302 VanDerWaalsContact C-N 3.28Å; I300-R302 PolarHBondContact O-N 2.88Å; I300-E303 PolarHBondContact O-N 3Å; I300-N304 CarbonylContact O-C 3.29Å; I300-N304 PolarHBondContact O-N 3.23Å; I300-L307 HydrophobicContact CG2-CB 4.49Å; I300-L307 HydrophobicContact CG2-CD2 3.95Å; I300-L307 HydrophobicContact CG2-CG 4.03Å; I300-I311 HydrophobicContact CG2-CD1 3.94Å
301G78.3Confident81.1Confident20 Ų2082.4 Ų82.421%0.20642%0.424CS..Hα-helixtrans-65.2-24.7174.600000115.4L297 Q298 E299L297-G301 PolarHBondContact O-N 2.84Å; Q298-G301 PolarHBondContact O-N 2.84Å; E299-G301 PolarHBondContact O-N 3.41Å
302R87.9Confident81Confident219 Ų21982.4 Ų82.483%0.82642%0.42SS*.Hα-helixtrans-88.4-32.7172.5-67.5-170.475.1142.58.1112.8Q298 E299 I300Q298-R302 WeakPolarHBondContact O-CG 3.42Å; Q298-R302 PolarHBondContact O-N 3.29Å; E299-R302 WeakPolarHBondContact O-CA 3.39Å; E299-R302 PolarHBondContact O-N 3.42Å; I300-R302 VanDerWaalsContact C-N 3.28Å; I300-R302 PolarHBondContact O-N 2.88Å
303E81.5Confident81.3Confident136 Ų13683.1 Ų83.164%0.63643%0.429SS*.Hα-helixtrans-88.2-37.1-173.2-144173134.200112.7E299 I300E299-E303 PolarHBondContact O-N 2.87Å; I300-E303 PolarHBondContact O-N 3Å
304N75.8Confident81.6Confident89 Ų8983.1 Ų83.148%0.47643%0.428SS..  trans-141.986.5178.1-75.7-72.5000111.1I300 E306 L307 L308I300-N304 CarbonylContact O-C 3.29Å; I300-N304 PolarHBondContact O-N 3.23Å; N304-E306 VanDerWaalsContact C-N 3.3Å; N304-E306 PolarHBondContact O-N 3.48Å; N304-L307 HydrophobicContact CB-CB 3.64Å; N304-L307 HydrophobicContact CB-CD2 4.37Å; N304-L307 WeakPolarHBondContact O-CB 3.26Å; N304-L307 PolarHBondContact O-N 3.26Å; N304-L307 VanDerWaalsContact O-N 3.08Å; N304-L308 PolarHBondContact O-N 2.82Å
305P84.3Confident81.4Confident85 Ų8584 Ų8455%0.55243%0.425SS*.Hα-helixtrans-65.2-29.6-179.225.7-34.4000113.4L307 L308 Q309P305-L307 VanDerWaalsContact C-N 3.33Å; P305-L308 WeakPolarHBondContact O-CB 3.15Å; P305-L308 PolarHBondContact O-N 3.39Å; P305-Q309 PolarHBondContact O-N 3.31Å
306E84.2Confident81.2Confident173 Ų17387.7 Ų87.781%0.80844%0.436SS*.Hα-helixtrans-65.1-39.2172-64.3-172.692.400111.4N304 Q309 E310N304-E306 VanDerWaalsContact C-N 3.3Å; N304-E306 PolarHBondContact O-N 3.48Å; E306-Q309 WeakPolarHBondContact O-CB 3.34Å; E306-Q309 PolarHBondContact O-N 3.29Å; E306-E310 PolarHBondContact O-N 2.87Å
307L77.8Confident81.3Confident25 Ų2588.9 Ų88.913%0.13144%0.441CS..Hα-helixtrans-68.8-35.4174.7178.756.7000111.6L270 F272 L273 I300 N304 P305 Q309 E310 I311L270-L307 HydrophobicContact CD2-CD1 4Å; F272-L307 HydrophobicContact CZ-CD1 4.04Å; L273-L307 HydrophobicContact CD1-CD1 3.7Å; L273-L307 HydrophobicContact CD2-CD1 4Å; L273-L307 HydrophobicContact CD2-CD2 4.31Å; L273-L307 HydrophobicContact CG-CD1 4.26Å; I300-L307 HydrophobicContact CG2-CB 4.49Å; I300-L307 HydrophobicContact CG2-CD2 3.95Å; I300-L307 HydrophobicContact CG2-CG 4.03Å; N304-L307 HydrophobicContact CB-CB 3.64Å; N304-L307 HydrophobicContact CB-CD2 4.37Å; N304-L307 WeakPolarHBondContact O-CB 3.26Å; N304-L307 PolarHBondContact O-N 3.26Å; N304-L307 VanDerWaalsContact O-N 3.08Å; P305-L307 VanDerWaalsContact C-N 3.33Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; L307-E310 PolarHBondContact O-N 3.33Å; L307-I311 HydrophobicContact CD1-CD1 3.9Å; L307-I311 HydrophobicContact CD1-CG1 3.97Å; L307-I311 HydrophobicContact CD2-CD1 4.36Å; L307-I311 HydrophobicContact CG-CD1 3.73Å; L307-I311 HydrophobicContact CG-CG1 4.27Å; L307-I311 WeakPolarHBondContact O-CB 3.34Å; L307-I311 VanDerWaalsContact O-CG1 3.24Å; L307-I311 WeakPolarHBondContact O-CG1 3.16Å; L307-I311 PolarHBondContact O-N 2.94Å
308L83.6Confident81.2Confident59 Ų5986.8 Ų86.831%0.30943%0.43SS..Hα-helixtrans-61.8-42.5171.6-173.573.9000111.5L297 N304 P305 E310 I311 S312L297-L308 HydrophobicContact CD1-CD1 3.6Å; L297-L308 HydrophobicContact CG-CD1 3.83Å; N304-L308 PolarHBondContact O-N 2.82Å; P305-L308 WeakPolarHBondContact O-CB 3.15Å; P305-L308 PolarHBondContact O-N 3.39Å; L308-E310 VanDerWaalsContact C-N 3.32Å; L308-E310 PolarHBondContact O-N 3.46Å; L308-I311 PolarHBondContact O-N 3.22Å; L308-S312 VanDerWaalsContact O-CB 3.32Å; L308-S312 WeakPolarHBondContact O-CB 3.43Å; L308-S312 PolarHBondContact O-N 2.91Å; L308-S312 PolarHBondContact O-OG 3.27Å
309Q84Confident81Confident140 Ų14083.3 Ų83.365%0.65442%0.415SS*.Hα-helixtrans-59.5-45.7175.4-161.570.939.500110.3P305 E306 L307 S312 S313P305-Q309 PolarHBondContact O-N 3.31Å; E306-Q309 WeakPolarHBondContact O-CB 3.34Å; E306-Q309 PolarHBondContact O-N 3.29Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; Q309-S312 PolarHBondContact O-N 3.02Å; Q309-S312 PolarHBondContact O-OG 2.94Å; Q309-S313 PolarHBondContact O-N 3.47Å; Q309-S313 PolarHBondContact O-OG 3.19Å; Q309-S313 VanDerWaalsContact O-OG 3.14Å
310E80.4Confident80.8Confident71 Ų7184.5 Ų84.533%0.33242%0.42SS..Hα-helixtrans-69.6-35.4179.1-15869.2-87.100113.6P269 L270 E306 L307 L308 S312 S313 H314P269-E310 HydrophobicContact CB-CG 4.01Å; P269-E310 HydrophobicContact CG-CG 4.06Å; L270-E310 HydrophobicContact CD2-CB 4.13Å; L270-E310 HydrophobicContact CD2-CG 3.86Å; L270-E310 HydrophobicContact CG-CG 4.44Å; E306-E310 PolarHBondContact O-N 2.87Å; L307-E310 PolarHBondContact O-N 3.33Å; L308-E310 VanDerWaalsContact C-N 3.32Å; L308-E310 PolarHBondContact O-N 3.46Å; E310-S312 VanDerWaalsContact C-N 3.31Å; E310-S313 VanDerWaalsContact CA-OG 3.31Å; E310-S313 WeakPolarHBondContact CA-OG 3.42Å; E310-S313 PolarHBondContact O-OG 3.3Å; E310-S313 PolarHBondContact OE1-OG 2.99Å; E310-H314 VanDerWaalsContact O-CB 3.3Å; E310-H314 WeakPolarHBondContact O-CB 3.35Å; E310-H314 PolarHBondContact O-N 2.71Å; E310-H314 PolarHBondContact O-ND1 3.47Å; E310-H314 IonicContact OE1-CE1 2.62Å; E310-H314 PolarHBondContact OE1-CE1 2.93Å; E310-H314 IonicContact OE1-ND1 3.95Å; E310-H314 PolarHBondContact OE1-ND1 2.84Å
311I79.6Confident80.7Confident2 Ų283.7 Ų83.71%0.0142%0.416CS..Hα-helixtrans-69.7-30.9172.1-68.7167.4000110.8L270 L273 L297 I300 L307 L308 H314 Q315 F318L270-I311 HydrophobicContact CD1-CG1 4.39Å; L270-I311 HydrophobicContact CD2-CG1 3.81Å; L273-I311 HydrophobicContact CD2-CD1 4.24Å; L297-I311 HydrophobicContact CD1-CG2 3.71Å; I300-I311 HydrophobicContact CG2-CD1 3.94Å; L307-I311 HydrophobicContact CD1-CD1 3.9Å; L307-I311 HydrophobicContact CD1-CG1 3.97Å; L307-I311 HydrophobicContact CD2-CD1 4.36Å; L307-I311 HydrophobicContact CG-CD1 3.73Å; L307-I311 HydrophobicContact CG-CG1 4.27Å; L307-I311 WeakPolarHBondContact O-CB 3.34Å; L307-I311 VanDerWaalsContact O-CG1 3.24Å; L307-I311 WeakPolarHBondContact O-CG1 3.16Å; L307-I311 PolarHBondContact O-N 2.94Å; L308-I311 PolarHBondContact O-N 3.22Å; I311-H314 CarbonylContact O-C 3.58Å; I311-Q315 WeakPolarHBondContact O-CA 3.36Å; I311-Q315 VanDerWaalsContact O-CB 3.32Å; I311-Q315 WeakPolarHBondContact O-CB 3.28Å; I311-Q315 PolarHBondContact O-N 3.36Å; I311-F318 HydrophobicContact CD1-CD2 4.16Å; I311-F318 HydrophobicContact CD1-CE2 3.69Å; I311-F318 HydrophobicContact CD1-CZ 4.2Å; I311-F318 HydrophobicContact CG1-CD2 3.89Å; I311-F318 HydrophobicContact CG1-CE2 3.97Å; I311-F318 HydrophobicContact CG2-CB 4.39Å; I311-F318 HydrophobicContact CG2-CD1 4.12Å; I311-F318 HydrophobicContact CG2-CD2 4.09Å; I311-F318 HydrophobicContact CG2-CE1 4.35Å; I311-F318 HydrophobicContact CG2-CE2 4.31Å; I311-F318 HydrophobicContact CG2-CG 3.96Å; I311-F318 HydrophobicContact CG2-CZ 4.42Å
312S82Confident80.7Confident67 Ų6782.9 Ų82.947%0.46941%0.407SS..Hα-helixtrans-73.5-37.9176.678.90000112.4L308 Q309 E310L308-S312 VanDerWaalsContact O-CB 3.32Å; L308-S312 WeakPolarHBondContact O-CB 3.43Å; L308-S312 PolarHBondContact O-N 2.91Å; L308-S312 PolarHBondContact O-OG 3.27Å; Q309-S312 PolarHBondContact O-N 3.02Å; Q309-S312 PolarHBondContact O-OG 2.94Å; E310-S312 VanDerWaalsContact C-N 3.31Å
313S88.2Confident80.2Confident70 Ų7077.6 Ų77.649%0.4940%0.395SS..Hα-helixtrans-73.5-28.2173.751.70000112.7Q309 E310Q309-S313 PolarHBondContact O-N 3.47Å; Q309-S313 PolarHBondContact O-OG 3.19Å; Q309-S313 VanDerWaalsContact O-OG 3.14Å; E310-S313 VanDerWaalsContact CA-OG 3.31Å; E310-S313 WeakPolarHBondContact CA-OG 3.42Å; E310-S313 PolarHBondContact O-OG 3.3Å; E310-S313 PolarHBondContact OE1-OG 2.99Å
314H83.1Confident79.7Confident47 Ų4774.2 Ų74.222%0.21838%0.379CS..THydrogen-bonded Turntrans-121.936.4-176.3-60.987.6000113.3P269 L270 E310 I311 E316 Q317 F318P269-H314 WeakPolarHBondContact CG-CE1 3.48Å; P269-H314 WeakPolarHBondContact CG-ND1 2.99Å; L270-H314 HydrophobicContact CD1-CB 3.56Å; L270-H314 WeakPolarHBondContact CD1-O 3.12Å; L270-H314 HydrophobicContact CG-CB 4.05Å; E310-H314 VanDerWaalsContact O-CB 3.3Å; E310-H314 WeakPolarHBondContact O-CB 3.35Å; E310-H314 PolarHBondContact O-N 2.71Å; E310-H314 PolarHBondContact O-ND1 3.47Å; E310-H314 IonicContact OE1-CE1 2.62Å; E310-H314 PolarHBondContact OE1-CE1 2.93Å; E310-H314 IonicContact OE1-ND1 3.95Å; E310-H314 PolarHBondContact OE1-ND1 2.84Å; I311-H314 CarbonylContact O-C 3.58Å; H314-E316 VanDerWaalsContact C-N 3.26Å; H314-E316 PolarHBondContact O-N 2.89Å; H314-Q317 HydrophobicContact CB-CB 4.49Å; H314-Q317 VanDerWaalsContact CB-OE1 3.23Å; H314-Q317 PolarHBondContact O-N 3.2Å; H314-Q317 PolarHBondContact O-OE1 3.26Å; H314-F318 PolarHBondContact O-N 3.17Å
315Q78Confident79Confident100 Ų10074.6 Ų74.647%0.46739%0.387SS..Hα-helixtrans-62.2-34.6-175.5-166.7179.5108.500112.1I311 F318 I319I311-Q315 WeakPolarHBondContact O-CA 3.36Å; I311-Q315 VanDerWaalsContact O-CB 3.32Å; I311-Q315 WeakPolarHBondContact O-CB 3.28Å; I311-Q315 PolarHBondContact O-N 3.36Å; Q315-F318 WeakPolarHBondContact O-CB 3.44Å; Q315-F318 PolarHBondContact O-N 3.42Å; Q315-I319 HydrophobicContact CG-CD1 3.92Å; Q315-I319 HydrophobicContact CG-CG1 4.43Å; Q315-I319 WeakPolarHBondContact O-CB 3.29Å; Q315-I319 VanDerWaalsContact O-CG1 3.27Å; Q315-I319 WeakPolarHBondContact O-CG1 3.47Å; Q315-I319 PolarHBondContact O-N 3.03Å
316E79.3Confident77.7Confident165 Ų16574.7 Ų74.777%0.77138%0.383SS*.Hα-helixtrans-65.3-44.9176.5-65179.892.700111.5H314 F318 I319 Q320H314-E316 VanDerWaalsContact C-N 3.26Å; H314-E316 PolarHBondContact O-N 2.89Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.38Å; E316-I319 PolarHBondContact O-N 3.32Å; E316-Q320 VanDerWaalsContact O-CB 3.29Å; E316-Q320 WeakPolarHBondContact O-CB 3.36Å; E316-Q320 PolarHBondContact O-N 2.79Å
317Q78.8Confident76.1Confident68 Ų6869.8 Ų69.832%0.31837%0.366SS..Hα-helixtrans-66.6-36174.7-62.887.2-3.300111.7N268 H314 Q320 M321N268-Q317 WeakPolarHBondContact OD1-CB 2.94Å; N268-Q317 WeakPolarHBondContact OD1-CG 3.3Å; H314-Q317 HydrophobicContact CB-CB 4.49Å; H314-Q317 VanDerWaalsContact CB-OE1 3.23Å; H314-Q317 PolarHBondContact O-N 3.2Å; H314-Q317 PolarHBondContact O-OE1 3.26Å; Q317-Q320 PolarHBondContact O-N 3.06Å; Q317-M321 WeakPolarHBondContact O-CB 3.36Å; Q317-M321 WeakPolarHBondContact O-CG 3.04Å; Q317-M321 PolarHBondContact O-N 3.09Å
318F77.8Confident74.3Confident1 Ų174.2 Ų74.20%0.00439%0.39CS..Hα-helixtrans-61.4-49.1174.2-172.5-100.4000111.8L270 L273 F279 M282 I311 H314 Q315 E316 Q320 M321 L322L270-F318 HydrophobicContact CD1-CB 3.84Å; L270-F318 HydrophobicContact CD1-CD2 4.19Å; L273-F318 HydrophobicContact CD2-CD2 4.34Å; L273-F318 HydrophobicContact CD2-CE2 3.92Å; F279-F318 HydrophobicContact CD2-CE2 4.28Å; F279-F318 AromaticContact CE2-CD2 3.97Å; F279-F318 HydrophobicContact CE2-CD2 3.97Å; F279-F318 AromaticContact CE2-CE2 3.66Å; F279-F318 HydrophobicContact CE2-CE2 3.66Å; F279-F318 HydrophobicContact CE2-CZ 4.34Å; M282-F318 HydrophobicContact CE-CE1 3.75Å; M282-F318 HydrophobicContact CE-CZ 3.45Å; M282-F318 VanDerWaalsContact CE-CZ 3.45Å; M282-F318 HydrophobicContact SD-CZ 3.71Å; I311-F318 HydrophobicContact CD1-CD2 4.16Å; I311-F318 HydrophobicContact CD1-CE2 3.69Å; I311-F318 HydrophobicContact CD1-CZ 4.2Å; I311-F318 HydrophobicContact CG1-CD2 3.89Å; I311-F318 HydrophobicContact CG1-CE2 3.97Å; I311-F318 HydrophobicContact CG2-CB 4.39Å; I311-F318 HydrophobicContact CG2-CD1 4.12Å; I311-F318 HydrophobicContact CG2-CD2 4.09Å; I311-F318 HydrophobicContact CG2-CE1 4.35Å; I311-F318 HydrophobicContact CG2-CE2 4.31Å; I311-F318 HydrophobicContact CG2-CG 3.96Å; I311-F318 HydrophobicContact CG2-CZ 4.42Å; H314-F318 PolarHBondContact O-N 3.17Å; Q315-F318 WeakPolarHBondContact O-CB 3.44Å; Q315-F318 PolarHBondContact O-N 3.42Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.38Å; F318-Q320 VanDerWaalsContact C-N 3.35Å; F318-Q320 PolarHBondContact O-N 3.33Å; F318-M321 CarbonylContact O-C 3.57Å; F318-M321 PolarHBondContact O-N 2.65Å; F318-L322 HydrophobicContact CD1-CD1 4.15Å; F318-L322 HydrophobicContact CD1-CD2 4.28Å; F318-L322 HydrophobicContact CE1-CD1 3.85Å; F318-L322 HydrophobicContact CE1-CD2 3.85Å; F318-L322 HydrophobicContact CE2-CD1 4.3Å; F318-L322 HydrophobicContact CZ-CD1 3.95Å; F318-L322 WeakPolarHBondContact O-CB 3.46Å; F318-L322 PolarHBondContact O-N 2.81Å
319I79.3Confident72.3Confident68 Ų6877 Ų7735%0.34941%0.411SS..Hα-helixtrans-64.8-38.7177-69.2167.8000111Q315 E316 L322 N323Q315-I319 HydrophobicContact CG-CD1 3.92Å; Q315-I319 HydrophobicContact CG-CG1 4.43Å; Q315-I319 WeakPolarHBondContact O-CB 3.29Å; Q315-I319 VanDerWaalsContact O-CG1 3.27Å; Q315-I319 WeakPolarHBondContact O-CG1 3.47Å; Q315-I319 PolarHBondContact O-N 3.03Å; E316-I319 PolarHBondContact O-N 3.32Å; I319-L322 PolarHBondContact O-N 3.42Å; I319-N323 PolarHBondContact O-N 2.93Å; I319-N323 PolarHBondContact O-ND2 2.9Å
320Q78Confident70.2Confident139 Ų13973.9 Ų73.965%0.6541%0.409SS*.Hα-helixtrans-62.1-43.3175-166.76958.300111.2E316 Q317 F318 N323 E324E316-Q320 VanDerWaalsContact O-CB 3.29Å; E316-Q320 WeakPolarHBondContact O-CB 3.36Å; E316-Q320 PolarHBondContact O-N 2.79Å; Q317-Q320 PolarHBondContact O-N 3.06Å; F318-Q320 VanDerWaalsContact C-N 3.35Å; F318-Q320 PolarHBondContact O-N 3.33Å; Q320-N323 PolarHBondContact O-N 3.47Å; Q320-E324 WeakPolarHBondContact O-CB 3.48Å; Q320-E324 PolarHBondContact O-N 3.5Å
321M73.7Confident68.4Low13 Ų1376.1 Ų76.16%0.06443%0.43CS..Hα-helixtrans-74.7-20174.6-70.8-170.6-63.500114L270 R274 F279 R283 Q317 F318L270-M321 HydrophobicContact CB-CE 3.54Å; L270-M321 HydrophobicContact CD1-CE 4.42Å; R274-M321 HydrophobicContact CB-SD 3.98Å; R274-M321 HydrophobicContact CG-SD 4.24Å; F279-M321 HydrophobicContact CE1-CB 3.98Å; F279-M321 HydrophobicContact CZ-CB 3.64Å; F279-M321 HydrophobicContact CZ-CE 4.4Å; R283-M321 PolarHBondContact NE-O 3Å; R283-M321 PolarHBondContact NH2-O 3.23Å; Q317-M321 WeakPolarHBondContact O-CB 3.36Å; Q317-M321 WeakPolarHBondContact O-CG 3.04Å; Q317-M321 PolarHBondContact O-N 3.09Å; F318-M321 CarbonylContact O-C 3.57Å; F318-M321 PolarHBondContact O-N 2.65Å
322L77.3Confident67Low3 Ų381.7 Ų81.72%0.01648%0.476CS..Hα-helixtrans-77.4-33.5171.9-11164.5000111.9F279 M282 I286 L293 F318 I319F279-L322 HydrophobicContact CD2-CD1 4.38Å; F279-L322 HydrophobicContact CE2-CD1 3.45Å; F279-L322 VanDerWaalsContact CE2-CD1 3.45Å; F279-L322 HydrophobicContact CZ-CD1 3.54Å; M282-L322 HydrophobicContact CE-CD2 4.24Å; M282-L322 HydrophobicContact CG-CD1 4.43Å; I286-L322 HydrophobicContact CB-CD2 4.11Å; I286-L322 HydrophobicContact CB-CG 4.41Å; I286-L322 HydrophobicContact CD1-CD2 4.44Å; I286-L322 HydrophobicContact CG1-CD2 3.78Å; I286-L322 HydrophobicContact CG2-CB 4.12Å; I286-L322 HydrophobicContact CG2-CD2 3.86Å; I286-L322 HydrophobicContact CG2-CG 3.82Å; L293-L322 HydrophobicContact CD1-CD2 3.89Å; L293-L322 HydrophobicContact CG-CD2 4.26Å; F318-L322 HydrophobicContact CD1-CD1 4.15Å; F318-L322 HydrophobicContact CD1-CD2 4.28Å; F318-L322 HydrophobicContact CE1-CD1 3.85Å; F318-L322 HydrophobicContact CE1-CD2 3.85Å; F318-L322 HydrophobicContact CE2-CD1 4.3Å; F318-L322 HydrophobicContact CZ-CD1 3.95Å; F318-L322 WeakPolarHBondContact O-CB 3.46Å; F318-L322 PolarHBondContact O-N 2.81Å; I319-L322 PolarHBondContact O-N 3.42Å
323N76.4Confident64.9Low108 Ų10881.8 Ų81.858%0.57849%0.488SS*.Hα-helixtrans-91.3-13.1177.8-71.2-76.9000113.8I319 Q320I319-N323 PolarHBondContact O-N 2.93Å; I319-N323 PolarHBondContact O-ND2 2.9Å; Q320-N323 PolarHBondContact O-N 3.47Å
324E72.9Confident62.5Low65 Ų6582.1 Ų82.130%0.30450%0.502SS..SBendtrans-60.5125.6170.2-176.5-166.985.700109.3R283 Q320R283-E324 VanDerWaalsContact CD-O 3.28Å; R283-E324 WeakPolarHBondContact CD-O 3.39Å; R283-E324 IonicContact CZ-OE1 3.03Å; R283-E324 PolarHBondContact NE-O 2.97Å; R283-E324 VanDerWaalsContact NE-O 3.17Å; R283-E324 PolarHBondContact NH1-O 3.12Å; R283-E324 IonicContact NH1-OE1 2.81Å; R283-E324 PolarHBondContact NH1-OE1 3.38Å; R283-E324 IonicContact NH2-OE1 3.35Å; R283-E324 PolarHBondContact NH2-OE1 3Å; Q320-E324 WeakPolarHBondContact O-CB 3.48Å; Q320-E324 PolarHBondContact O-N 3.5Å
325P59.3Low60.5Low97 Ų9784.2 Ų84.263%0.6354%0.537SS*.PPolyproline II helixtrans-59.6143.4175.226-33.8000109.7R283 P327R283-P325 VanDerWaalsContact NH1-C 3.33Å; R283-P325 PolarHBondContact NH1-O 2.92Å; P325-P327 WeakPolarHBondContact O-CD 3.18Å
326N58.6Low58.6Low87 Ų8783.2 Ų83.247%0.46555%0.554SS.*PPolyproline II helixtrans-50125178.9-173.960.5000110.1D328N326-D328 PolarHBondContact O-N 3.4Å
327P49.2Very low56.4Low70 Ų7078.9 Ų78.946%0.45555%0.553SS.*  trans-67.691.2166.329.5-33.2000106.9R283 P325R283-P327 VanDerWaalsContact NH1-CD 3.26Å; P325-P327 WeakPolarHBondContact O-CD 3.18Å
328D41.5Very low54.8Low118 Ų11882.3 Ų82.363%0.63158%0.582SS**  trans-46.6142.4155.2-165.5-92000107.9N326 A330N326-D328 PolarHBondContact O-N 3.4Å; D328-A330 PolarHBondContact O-N 3.08Å
329P40.7Very low52.9Low117 Ų11786.3 Ų86.376%0.7662%0.623SS**  trans-71.159.5175.132.1-36.5000110.9
330A39.3Very low50.7Low75 Ų7587 Ų8762%0.6265%0.646SS**  trans-53.5120.3161.500000107D328D328-A330 PolarHBondContact O-N 3.08Å
331P42.6Very low49.1Very low118 Ų11885.8 Ų85.877%0.76666%0.66SS**  trans-59.4152.1175.827.5-34.6000108.6G333P331-G333 VanDerWaalsContact C-N 3.34Å; P331-G333 PolarHBondContact O-N 3.48Å
332A50.3Low47.1Very low119 Ų11988.9 Ų88.998%0.98370%0.696SS**SBendtrans-53.495.3-179.600000111.3
333G38.6Very low45.2Very low69 Ų6992.5 Ų92.571%0.71173%0.734SS**  trans-130.588.8-173.800000108.4P331P331-G333 VanDerWaalsContact C-N 3.34Å; P331-G333 PolarHBondContact O-N 3.48Å
334G38.7Very low43.5Very low77 Ų7794.4 Ų94.479%0.79475%0.749SS**  trans-57.8146.5175.400000111.2G336G334-G336 PolarHBondContact O-N 2.85Å
335G41Very low41.8Very low92 Ų9295.4 Ų95.495%0.94878%0.776SS**  trans-57.4131.6178.900000111.9
336G38.1Very low40.5Very low79 Ų7994.4 Ų94.481%0.81478%0.784SS**  trans-173.959.8-171.400000116.3G334G334-G336 PolarHBondContact O-N 2.85Å
337G32.1Very low39.7Very low74 Ų7494.1 Ų94.176%0.76380%0.802SS**  trans95.9148155.900000117.5
338P46.3Very low39.2Very low140 Ų14097.6 Ų97.691%0.90982%0.822SS**SBendtrans-92.4131173.634.7-30.4000112
339G37.7Very low39Very low84 Ų8496.4 Ų96.487%0.86683%0.829SS**  trans138.8142.5162.500000115
340G33.2Very low39.1Very low82 Ų8294.9 Ų94.985%0.84583%0.834SS**  trans129110.2169.900000113.4
341A43.6Very low38.8Very low114 Ų11494.7 Ų94.794%0.94284%0.84SS**  trans-77.5154.1170.300000111.3
342G31.1Very low38.4Very low79 Ų7992.4 Ų92.481%0.81484%0.837SS**  trans17688.8173.300000112.5
343G38.9Very low37.8Very low79 Ų7996 Ų9681%0.81483%0.834SS**  trans-89.4131.8176.400000112.7
344V39.2Very low38.3Very low148 Ų148100.2 Ų100.290%0.89784%0.837SS**  trans-145.9137.4147.5-78.70000105.7
345G37.4Very low38.9Very low85 Ų85103.1 Ų103.188%0.87683%0.834SS**  cis111.257.223.500000109.3
346G33.3Very low39.3Very low77 Ų77108.5 Ų108.579%0.79483%0.827SS**  trans-157.768.4-171.500000111.9
347G41.5Very low40.4Very low81 Ų81108.9 Ų108.984%0.83581%0.81SS**  trans-78.3121.8170.900000110.7
348T37.6Very low41.5Very low142 Ų142114 Ų11487%0.87181%0.814SS**  trans-130.1125.3161.3-68.30000108.1
349A38.7Very low42.4Very low94 Ų94109.9 Ų109.978%0.77779%0.786SS**  trans-80.5155.6-179.500000112.1
350G42.8Very low44.4Very low85 Ų85108.9 Ų108.988%0.87676%0.763SS**  trans58.860.914300000117.9
351G32.7Very low46.6Very low71 Ų71110.5 Ų110.573%0.73276%0.759SS**  trans-98.6111155.200000109.4
352G34.5Very low48.2Very low70 Ų70112.9 Ų112.972%0.72275%0.75SS**  trans-59.5150.2177.300000111.9M354G352-M354 PolarHBondContact O-N 3.28Å
353Q37.5Very low50.5Low193 Ų193109.5 Ų109.590%0.90271%0.713SS**  trans-6681.7172.8-61.6-76.1-77.300109.4N355Q353-N355 PolarHBondContact O-N 2.91Å
354M49.1Very low52.6Low159 Ų159111.8 Ų111.878%0.78370%0.701SS**  trans-65105.8165.3-93.2-172.2171.400107.2G352 Y356G352-M354 PolarHBondContact O-N 3.28Å; M354-Y356 VanDerWaalsContact C-N 3.25Å; M354-Y356 HydrophobicContact CB-CD2 4.24Å; M354-Y356 HydrophobicContact CB-CE2 4.28Å; M354-Y356 PolarHBondContact O-N 2.95Å
355N51.4Low54.8Low138 Ų138109.9 Ų109.974%0.73868%0.682SS**  trans-66.785.6176.3-172.374000108.9Q353 I357Q353-N355 PolarHBondContact O-N 2.91Å; N355-I357 WeakPolarHBondContact O-CD1 3.32Å; N355-I357 PolarHBondContact O-N 3.01Å
356Y48.5Very low56.9Low204 Ų204106.1 Ų106.180%0.864%0.643SS**  trans-64.895.8176.9-97.6-96.8000109.3M354 Q358M354-Y356 VanDerWaalsContact C-N 3.25Å; M354-Y356 HydrophobicContact CB-CD2 4.24Å; M354-Y356 HydrophobicContact CB-CE2 4.28Å; M354-Y356 PolarHBondContact O-N 2.95Å; Y356-Q358 PolarHBondContact O-N 3.28Å
357I62Low59.3Low88 Ų88102.8 Ų102.845%0.45161%0.607SS.*  trans-60.2119.5161.3-63103.1000106.6N355 V359 F385N355-I357 WeakPolarHBondContact O-CD1 3.32Å; N355-I357 PolarHBondContact O-N 3.01Å; I357-V359 PolarHBondContact O-N 3.32Å; I357-F385 HydrophobicContact CG2-CE1 4.09Å; I357-F385 HydrophobicContact CG2-CE2 4.03Å; I357-F385 HydrophobicContact CG2-CZ 3.68Å
358Q53.5Low61.5Low181 Ų181104.9 Ų104.985%0.84660%0.595SS**  trans-71.697.2176.8-68.9-174.115.900109Y356 T360Y356-Q358 PolarHBondContact O-N 3.28Å; Q358-T360 PolarHBondContact O-N 2.85Å
359V66.9Low63.7Low53 Ų53104.5 Ų104.532%0.32158%0.577SS.*  trans-68.6117.8174.1-177.70000108.7I357 E363 K364 I367 F385I357-V359 PolarHBondContact O-N 3.32Å; V359-E363 HydrophobicContact CG1-CB 3.69Å; V359-K364 HydrophobicContact CG1-CB 3.9Å; V359-I367 HydrophobicContact CG1-CD1 3.6Å; V359-I367 HydrophobicContact CG2-CD1 4.31Å; V359-F385 HydrophobicContact CG2-CE2 4.47Å
360T78.6Confident65.8Low64 Ų64100 Ų10039%0.39354%0.541SS..  trans-70.6161175.566.20000111.1Q358 Q362 E363 K364Q358-T360 PolarHBondContact O-N 2.85Å; T360-Q362 VanDerWaalsContact C-N 3.3Å; T360-Q362 PolarHBondContact O-N 3.14Å; T360-E363 WeakPolarHBondContact CB-OE2 3.26Å; T360-E363 WeakPolarHBondContact CG2-OE2 3.28Å; T360-E363 PolarHBondContact N-OE2 3.39Å; T360-E363 PolarHBondContact O-N 3.39Å; T360-E363 VanDerWaalsContact O-N 3.15Å; T360-E363 WeakPolarHBondContact OG1-CG 3.24Å; T360-E363 PolarHBondContact OG1-OE2 2.79Å; T360-K364 PolarHBondContact O-N 2.86Å
361P79.2Confident67.8Low116 Ų116100.8 Ų100.875%0.75352%0.52SS*.Hα-helixtrans-57.5-36-172.9-2836.5000115.1E365P361-E365 PolarHBondContact O-N 3.2Å
362Q76.8Confident70.3Confident163 Ų163101.7 Ų101.776%0.76252%0.52SS*.Hα-helixtrans-71.2-41.2178-80170-49.400112.5T360 K364 E365 A366T360-Q362 VanDerWaalsContact C-N 3.3Å; T360-Q362 PolarHBondContact O-N 3.14Å; Q362-K364 VanDerWaalsContact C-N 3.28Å; Q362-K364 PolarHBondContact O-N 3.16Å; Q362-E365 PolarHBondContact O-N 3.49Å; Q362-A366 PolarHBondContact O-N 2.85Å; Q362-A366 VanDerWaalsContact O-N 3.13Å
363E81.3Confident72.5Confident8 Ų8104.1 Ų104.14%0.03752%0.516CS..Hα-helixtrans-63.9-39.5177.2-58168.3144.300109.8V359 T360 E365 A366 I367 Y384 K389V359-E363 HydrophobicContact CG1-CB 3.69Å; T360-E363 WeakPolarHBondContact CB-OE2 3.26Å; T360-E363 WeakPolarHBondContact CG2-OE2 3.28Å; T360-E363 PolarHBondContact N-OE2 3.39Å; T360-E363 PolarHBondContact O-N 3.39Å; T360-E363 VanDerWaalsContact O-N 3.15Å; T360-E363 WeakPolarHBondContact OG1-CG 3.24Å; T360-E363 PolarHBondContact OG1-OE2 2.79Å; E363-E365 VanDerWaalsContact C-N 3.35Å; E363-E365 PolarHBondContact O-N 3.28Å; E363-A366 PolarHBondContact O-N 2.95Å; E363-I367 WeakPolarHBondContact O-CB 3.38Å; E363-I367 VanDerWaalsContact O-CD1 3.27Å; E363-I367 WeakPolarHBondContact O-CD1 3.38Å; E363-I367 WeakPolarHBondContact O-CG1 3.47Å; E363-I367 PolarHBondContact O-N 2.8Å; E363-Y384 HydrophobicContact CB-CE1 3.76Å; E363-Y384 HydrophobicContact CG-CE1 3.76Å; E363-K389 WeakPolarHBondContact OE1-CD 3.29Å; E363-K389 WeakPolarHBondContact OE1-CE 3.2Å; E363-K389 IonicContact OE1-NZ 2.71Å; E363-K389 PolarHBondContact OE1-NZ 3.32Å
364K82.6Confident74.4Confident128 Ų12898.1 Ų98.156%0.55751%0.506SS*.Hα-helixtrans-59.8-42.2174.9-172.5-175.8174.8-172.30112.1V359 T360 Q362 I367 E368V359-K364 HydrophobicContact CG1-CB 3.9Å; T360-K364 PolarHBondContact O-N 2.86Å; Q362-K364 VanDerWaalsContact C-N 3.28Å; Q362-K364 PolarHBondContact O-N 3.16Å; K364-I367 PolarHBondContact O-N 3.15Å; K364-E368 WeakPolarHBondContact O-CB 3.29Å; K364-E368 PolarHBondContact O-N 3.48Å
365E85Confident75.9Confident107 Ų10791.6 Ų91.650%0.547%0.473SS..Hα-helixtrans-67.2-39.9179.1-156.1-169.7124.300111.8P361 Q362 E363 E368 R369P361-E365 PolarHBondContact O-N 3.2Å; Q362-E365 PolarHBondContact O-N 3.49Å; E363-E365 VanDerWaalsContact C-N 3.35Å; E363-E365 PolarHBondContact O-N 3.28Å; E365-E368 PolarHBondContact O-N 3.47Å; E365-R369 WeakPolarHBondContact O-CG 3.15Å; E365-R369 PolarHBondContact O-N 2.73Å; E365-R369 IonicContact OE1-CZ 3.57Å; E365-R369 IonicContact OE1-NE 3.47Å; E365-R369 PolarHBondContact OE1-NE 3.03Å; E365-R369 IonicContact OE1-NH2 3.08Å; E365-R369 PolarHBondContact OE1-NH2 3.13Å
366A81.3Confident77.5Confident6 Ų688.6 Ų88.65%0.0546%0.462CS..Hα-helixtrans-63.8-42.6172.900000111.9Q362 E363 E368 R369 L370 Y384 E391Q362-A366 PolarHBondContact O-N 2.85Å; Q362-A366 VanDerWaalsContact O-N 3.13Å; E363-A366 PolarHBondContact O-N 2.95Å; A366-E368 VanDerWaalsContact C-N 3.29Å; A366-E368 PolarHBondContact O-N 2.89Å; A366-R369 PolarHBondContact O-N 2.74Å; A366-L370 WeakPolarHBondContact O-CB 3.38Å; A366-L370 WeakPolarHBondContact O-CD1 3.34Å; A366-L370 VanDerWaalsContact O-CG 3.31Å; A366-L370 WeakPolarHBondContact O-CG 3.27Å; A366-L370 PolarHBondContact O-N 3.23Å; A366-Y384 HydrophobicContact CB-CD2 4.29Å; A366-Y384 HydrophobicContact CB-CE2 3.55Å; A366-E391 HydrophobicContact CB-CB 4.31Å; A366-E391 HydrophobicContact CB-CG 4.2Å
367I84.4Confident79.1Confident8 Ų883.3 Ų83.34%0.04144%0.444CS..Hα-helixtrans-60.4-39.3173.4-69.6155.9000110.8V359 E363 K364 L370 K371 E377 V380 I381V359-I367 HydrophobicContact CG1-CD1 3.6Å; V359-I367 HydrophobicContact CG2-CD1 4.31Å; E363-I367 WeakPolarHBondContact O-CB 3.38Å; E363-I367 VanDerWaalsContact O-CD1 3.27Å; E363-I367 WeakPolarHBondContact O-CD1 3.38Å; E363-I367 WeakPolarHBondContact O-CG1 3.47Å; E363-I367 PolarHBondContact O-N 2.8Å; K364-I367 PolarHBondContact O-N 3.15Å; I367-L370 PolarHBondContact O-N 3.44Å; I367-K371 WeakPolarHBondContact O-CB 3.49Å; I367-K371 PolarHBondContact O-N 2.85Å; I367-E377 HydrophobicContact CG2-CG 4.03Å; I367-V380 HydrophobicContact CB-CG1 4.04Å; I367-V380 HydrophobicContact CG1-CG1 4.03Å; I367-V380 HydrophobicContact CG2-CG1 3.86Å; I367-I381 HydrophobicContact CD1-CG1 3.65Å; I367-I381 HydrophobicContact CG1-CG1 4.08Å; I367-I381 HydrophobicContact CG2-CG1 4.15Å
368E86.7Confident80Confident124 Ų12481.7 Ų81.758%0.57945%0.449SS*.Hα-helixtrans-69.1-37.5179.4-158.6168.7128.600112.2K364 E365 A366 K371 A372K364-E368 WeakPolarHBondContact O-CB 3.29Å; K364-E368 PolarHBondContact O-N 3.48Å; E365-E368 PolarHBondContact O-N 3.47Å; A366-E368 VanDerWaalsContact C-N 3.29Å; A366-E368 PolarHBondContact O-N 2.89Å; E368-K371 PolarHBondContact O-N 3.49Å; E368-A372 WeakPolarHBondContact O-CB 3.18Å; E368-A372 PolarHBondContact O-N 2.72Å
369R84.8Confident81.5Confident134 Ų13477.5 Ų77.551%0.50643%0.432SS..Hα-helixtrans-65.1-45.4171.6-69.6173.1-174-130.72.8112.5E365 A366 K371 A372 L373 E391E365-R369 WeakPolarHBondContact O-CG 3.15Å; E365-R369 PolarHBondContact O-N 2.73Å; E365-R369 IonicContact OE1-CZ 3.57Å; E365-R369 IonicContact OE1-NE 3.47Å; E365-R369 PolarHBondContact OE1-NE 3.03Å; E365-R369 IonicContact OE1-NH2 3.08Å; E365-R369 PolarHBondContact OE1-NH2 3.13Å; A366-R369 PolarHBondContact O-N 2.74Å; R369-K371 VanDerWaalsContact C-N 3.32Å; R369-K371 PolarHBondContact O-N 3.46Å; R369-A372 WeakPolarHBondContact O-CB 3.42Å; R369-A372 PolarHBondContact O-N 3.36Å; R369-L373 PolarHBondContact O-N 2.92Å; R369-E391 WeakPolarHBondContact CD-OE1 3.2Å
370L82.1Confident82.3Confident1 Ų175 Ų751%0.00542%0.417CS..Hα-helixtrans-64.5-36.8176.2-72.6163.9000111.6A366 I367 L373 F375 V380 Y384 E391 A394 A395 L398A366-L370 WeakPolarHBondContact O-CB 3.38Å; A366-L370 WeakPolarHBondContact O-CD1 3.34Å; A366-L370 VanDerWaalsContact O-CG 3.31Å; A366-L370 WeakPolarHBondContact O-CG 3.27Å; A366-L370 PolarHBondContact O-N 3.23Å; I367-L370 PolarHBondContact O-N 3.44Å; L370-L373 WeakPolarHBondContact O-CB 3.43Å; L370-L373 PolarHBondContact O-N 3.33Å; L370-F375 WeakPolarHBondContact O-CD2 3.08Å; L370-V380 HydrophobicContact CB-CB 4.39Å; L370-V380 HydrophobicContact CB-CG1 3.39Å; L370-V380 HydrophobicContact CB-CG2 4.03Å; L370-V380 HydrophobicContact CD1-CG1 3.77Å; L370-V380 HydrophobicContact CG-CG1 4.2Å; L370-Y384 HydrophobicContact CD1-CD2 4.13Å; L370-E391 HydrophobicContact CD1-CG 4.34Å; L370-E391 HydrophobicContact CG-CG 4.4Å; L370-A394 HydrophobicContact CD1-CB 4.13Å; L370-A395 HydrophobicContact CD2-CB 3.67Å; L370-L398 HydrophobicContact CD2-CD1 4.23Å
371K84.8Confident82.5Confident101 Ų10174 Ų7444%0.43941%0.409SS..Hα-helixtrans-67.3-35.6172.2-176.8177.7177177.90112.6I367 E368 R369 L373 G374 E377I367-K371 WeakPolarHBondContact O-CB 3.49Å; I367-K371 PolarHBondContact O-N 2.85Å; E368-K371 PolarHBondContact O-N 3.49Å; R369-K371 VanDerWaalsContact C-N 3.32Å; R369-K371 PolarHBondContact O-N 3.46Å; K371-L373 PolarHBondContact O-N 3.47Å; K371-G374 PolarHBondContact O-N 3.35Å; K371-E377 HydrophobicContact CD-CB 4.32Å; K371-E377 IonicContact NZ-OE2 2.66Å; K371-E377 PolarHBondContact NZ-OE2 3.05Å
372A85.6Confident82.6Confident90 Ų9075 Ų7574%0.74440%0.403SS*.Hα-helixtrans-66.9-21174.200000113.5E368 R369 G374E368-A372 WeakPolarHBondContact O-CB 3.18Å; E368-A372 PolarHBondContact O-N 2.72Å; R369-A372 WeakPolarHBondContact O-CB 3.42Å; R369-A372 PolarHBondContact O-N 3.36Å; A372-G374 PolarHBondContact O-N 2.81Å
373L79.4Confident82.9Confident120 Ų12067.3 Ų67.363%0.62837%0.368SS*.THydrogen-bonded Turntrans-77.7-2169.5-68.3165.1000113.4R369 L370 K371 F375R369-L373 PolarHBondContact O-N 2.92Å; L370-L373 WeakPolarHBondContact O-CB 3.43Å; L370-L373 PolarHBondContact O-N 3.33Å; K371-L373 PolarHBondContact O-N 3.47Å; L373-F375 HydrophobicContact CB-CD2 3.91Å; L373-F375 HydrophobicContact CB-CE2 3.89Å
374G78.1Confident83Confident68 Ų6867.8 Ų67.870%0.70137%0.369SS*.THydrogen-bonded Turntrans101.9-2.7175.300000115.2K371 A372K371-G374 PolarHBondContact O-N 3.35Å; A372-G374 PolarHBondContact O-N 2.81Å
375F81.2Confident83.1Confident21 Ų2164.9 Ų64.99%0.09236%0.357CS..  trans-78.5141.1-178.5-59.9-70.1000112.2L370 L373 V380 L398 L399 N402L370-F375 WeakPolarHBondContact O-CD2 3.08Å; L373-F375 HydrophobicContact CB-CD2 3.91Å; L373-F375 HydrophobicContact CB-CE2 3.89Å; F375-V380 HydrophobicContact CB-CG2 3.45Å; F375-V380 VanDerWaalsContact CB-CG2 3.45Å; F375-L398 HydrophobicContact CB-CD1 4.42Å; F375-L398 HydrophobicContact CD1-CB 4.02Å; F375-L398 HydrophobicContact CD2-CB 4.36Å; F375-L398 HydrophobicContact CD2-CD1 4.36Å; F375-L398 HydrophobicContact CE1-CB 3.96Å; F375-L398 HydrophobicContact CE2-CB 4.32Å; F375-L398 HydrophobicContact CG-CB 4.23Å; F375-L398 HydrophobicContact CG-CD1 4.28Å; F375-L398 HydrophobicContact CZ-CB 4.12Å; F375-L399 HydrophobicContact CZ-CD2 4Å; F375-L399 HydrophobicContact CZ-CG 4.03Å; F375-N402 HydrophobicContact CE1-CB 3.97Å
376P85.4Confident83.1Confident75 Ų7563.4 Ų63.449%0.48736%0.363SS..  trans-72.6134.4-179.228.9-33.5000111.4G378 L379 V380P376-G378 PolarHBondContact O-N 2.85Å; P376-L379 HydrophobicContact CG-CB 4.1Å; P376-L379 HydrophobicContact CG-CD1 3.77Å; P376-L379 HydrophobicContact CG-CG 4.01Å; P376-L379 PolarHBondContact O-N 2.91Å; P376-V380 WeakPolarHBondContact O-CG2 3.25Å; P376-V380 PolarHBondContact O-N 3.43Å
377E80.6Confident83.3Confident94 Ų9464.2 Ų64.244%0.43937%0.368SS..Hα-helixtrans-50.7-37-170.9-171.2171.915800114.4I367 K371 V380 I381I367-E377 HydrophobicContact CG2-CG 4.03Å; K371-E377 HydrophobicContact CD-CB 4.32Å; K371-E377 IonicContact NZ-OE2 2.66Å; K371-E377 PolarHBondContact NZ-OE2 3.05Å; E377-V380 PolarHBondContact O-N 3.42Å; E377-I381 HydrophobicContact CG-CD1 3.94Å; E377-I381 WeakPolarHBondContact O-CB 3.36Å; E377-I381 WeakPolarHBondContact O-CD1 3.4Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.28Å; E377-I381 PolarHBondContact O-N 2.85Å
378G82.4Confident83.3Confident53 Ų5371 Ų7155%0.54641%0.405SS..Hα-helixtrans-64.4-44.5176.200000113.9P376 V380 Q382P376-G378 PolarHBondContact O-N 2.85Å; G378-V380 VanDerWaalsContact C-N 3.35Å; G378-Q382 WeakPolarHBondContact O-CB 3.36Å; G378-Q382 PolarHBondContact O-N 3.39Å
379L83.5Confident83.2Confident94 Ų9470.3 Ų70.349%0.49240%0.4SS..Hα-helixtrans-69.7-35.9174.4-68.7-177.7000111.1P376 Q382 A383 L398P376-L379 HydrophobicContact CG-CB 4.1Å; P376-L379 HydrophobicContact CG-CD1 3.77Å; P376-L379 HydrophobicContact CG-CG 4.01Å; P376-L379 PolarHBondContact O-N 2.91Å; L379-Q382 PolarHBondContact O-N 2.97Å; L379-A383 VanDerWaalsContact O-CB 3.25Å; L379-A383 WeakPolarHBondContact O-CB 3.46Å; L379-A383 PolarHBondContact O-N 3.42Å; L379-L398 HydrophobicContact CB-CD2 4.06Å
380V84.1Confident83.2Confident0 Ų067.1 Ų67.10%039%0.393CS..Hα-helixtrans-60.6-50.9176.21740000111.1I367 L370 F375 P376 E377 G378 Q382 A383 Y384 L398I367-V380 HydrophobicContact CB-CG1 4.04Å; I367-V380 HydrophobicContact CG1-CG1 4.03Å; I367-V380 HydrophobicContact CG2-CG1 3.86Å; L370-V380 HydrophobicContact CB-CB 4.39Å; L370-V380 HydrophobicContact CB-CG1 3.39Å; L370-V380 HydrophobicContact CB-CG2 4.03Å; L370-V380 HydrophobicContact CD1-CG1 3.77Å; L370-V380 HydrophobicContact CG-CG1 4.2Å; F375-V380 HydrophobicContact CB-CG2 3.45Å; F375-V380 VanDerWaalsContact CB-CG2 3.45Å; P376-V380 WeakPolarHBondContact O-CG2 3.25Å; P376-V380 PolarHBondContact O-N 3.43Å; E377-V380 PolarHBondContact O-N 3.42Å; G378-V380 VanDerWaalsContact C-N 3.35Å; V380-Q382 VanDerWaalsContact C-N 3.34Å; V380-Q382 PolarHBondContact O-N 3.31Å; V380-A383 PolarHBondContact O-N 2.92Å; V380-Y384 WeakPolarHBondContact O-CB 3.21Å; V380-Y384 PolarHBondContact O-N 3.48Å; V380-L398 HydrophobicContact CG2-CD1 4.06Å
381I83.4Confident83.3Confident44 Ų4470.4 Ų70.423%0.22641%0.408CS..Hα-helixtrans-58.2-48.6175.7-69.3162.9000109.9I367 E377 A383 Y384 F385I367-I381 HydrophobicContact CD1-CG1 3.65Å; I367-I381 HydrophobicContact CG1-CG1 4.08Å; I367-I381 HydrophobicContact CG2-CG1 4.15Å; E377-I381 HydrophobicContact CG-CD1 3.94Å; E377-I381 WeakPolarHBondContact O-CB 3.36Å; E377-I381 WeakPolarHBondContact O-CD1 3.4Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.28Å; E377-I381 PolarHBondContact O-N 2.85Å; I381-A383 PolarHBondContact O-N 3.45Å; I381-Y384 PolarHBondContact O-N 3.01Å; I381-F385 HydrophobicContact CG2-CD2 3.83Å; I381-F385 HydrophobicContact CG2-CE2 4.07Å; I381-F385 WeakPolarHBondContact O-CD2 3.36Å; I381-F385 PolarHBondContact O-N 3.22Å
382Q81.6Confident83.2Confident135 Ų13571.7 Ų71.763%0.63142%0.42SS*.Hα-helixtrans-61.4-46.9-178.6-175.7174.6-13.400112.6G378 L379 V380 A386G378-Q382 WeakPolarHBondContact O-CB 3.36Å; G378-Q382 PolarHBondContact O-N 3.39Å; L379-Q382 PolarHBondContact O-N 2.97Å; V380-Q382 VanDerWaalsContact C-N 3.34Å; V380-Q382 PolarHBondContact O-N 3.31Å; Q382-A386 WeakPolarHBondContact O-CB 3.23Å; Q382-A386 PolarHBondContact O-N 3.23Å
383A81.6Confident83.2Confident3 Ų372 Ų723%0.02541%0.408CS..Hα-helixtrans-66.1-40.217700000111.9L379 V380 I381 A386 C387 F397 L398L379-A383 VanDerWaalsContact O-CB 3.25Å; L379-A383 WeakPolarHBondContact O-CB 3.46Å; L379-A383 PolarHBondContact O-N 3.42Å; V380-A383 PolarHBondContact O-N 2.92Å; I381-A383 PolarHBondContact O-N 3.45Å; A383-A386 PolarHBondContact O-N 3.02Å; A383-C387 VanDerWaalsContact O-CB 3.29Å; A383-C387 WeakPolarHBondContact O-CB 3.31Å; A383-C387 PolarHBondContact O-N 2.96Å; A383-C387 PolarHBondContact O-SG 3.32Å; A383-F397 HydrophobicContact CB-CD1 3.86Å; A383-F397 HydrophobicContact CB-CE1 4.42Å; A383-L398 HydrophobicContact CB-CD1 4.04Å; A383-L398 HydrophobicContact CB-CD2 3.73Å; A383-L398 HydrophobicContact CB-CG 3.65Å
384Y84.6Confident83.4Confident18 Ų1866.3 Ų66.37%0.07138%0.378CS..Hα-helixtrans-65.4-44.2179.8-175.5-93.2000112.4E363 A366 L370 V380 I381 C387 K389 E391 A394E363-Y384 HydrophobicContact CB-CE1 3.76Å; E363-Y384 HydrophobicContact CG-CE1 3.76Å; A366-Y384 HydrophobicContact CB-CD2 4.29Å; A366-Y384 HydrophobicContact CB-CE2 3.55Å; L370-Y384 HydrophobicContact CD1-CD2 4.13Å; V380-Y384 WeakPolarHBondContact O-CB 3.21Å; V380-Y384 PolarHBondContact O-N 3.48Å; I381-Y384 PolarHBondContact O-N 3.01Å; Y384-C387 PolarHBondContact O-N 2.8Å; Y384-K389 HydrophobicContact CD1-CB 4.44Å; Y384-K389 HydrophobicContact CE1-CB 3.71Å; Y384-K389 HydrophobicContact CE1-CG 4.14Å; Y384-K389 VanDerWaalsContact CE2-O 3.32Å; Y384-K389 WeakPolarHBondContact CE2-O 3.41Å; Y384-K389 VanDerWaalsContact O-CA 3.28Å; Y384-K389 WeakPolarHBondContact O-CA 3.35Å; Y384-K389 PolarHBondContact O-N 2.77Å; Y384-K389 PolarHBondContact OH-O 3.47Å; Y384-E391 HydrophobicContact CE2-CB 4.31Å; Y384-A394 HydrophobicContact CD2-CB 4.12Å
385F85Confident83.6Confident66 Ų6664 Ų6429%0.28935%0.352SS..Hα-helixtrans-72.2-30.3172.5-79.4-80.6000113I357 V359 I381 C387 D388 K389I357-F385 HydrophobicContact CG2-CE1 4.09Å; I357-F385 HydrophobicContact CG2-CE2 4.03Å; I357-F385 HydrophobicContact CG2-CZ 3.68Å; V359-F385 HydrophobicContact CG2-CE2 4.47Å; I381-F385 HydrophobicContact CG2-CD2 3.83Å; I381-F385 HydrophobicContact CG2-CE2 4.07Å; I381-F385 WeakPolarHBondContact O-CD2 3.36Å; I381-F385 PolarHBondContact O-N 3.22Å; F385-C387 VanDerWaalsContact C-N 3.34Å; F385-D388 PolarHBondContact O-N 3.19Å; F385-K389 HydrophobicContact CD1-CG 4.45Å; F385-K389 HydrophobicContact CE1-CG 4.49Å
386A84.6Confident83.7Confident77 Ų7766.6 Ų66.664%0.63637%0.367SS*.Hα-helixtrans-69.9-29.6173.600000113.2Q382 A383 D388Q382-A386 WeakPolarHBondContact O-CB 3.23Å; Q382-A386 PolarHBondContact O-N 3.23Å; A383-A386 PolarHBondContact O-N 3.02Å; A386-D388 VanDerWaalsContact C-N 3.3Å; A386-D388 PolarHBondContact O-N 2.83Å
387C84.3Confident83.6Confident23 Ų2367.7 Ų67.716%0.15537%0.365CS..THydrogen-bonded Turntrans-93.129.3176.7-64.10000113.2A383 Y384 F385 K389 N390 L393 A394A383-C387 VanDerWaalsContact O-CB 3.29Å; A383-C387 WeakPolarHBondContact O-CB 3.31Å; A383-C387 PolarHBondContact O-N 2.96Å; A383-C387 PolarHBondContact O-SG 3.32Å; Y384-C387 PolarHBondContact O-N 2.8Å; F385-C387 VanDerWaalsContact C-N 3.34Å; C387-K389 VanDerWaalsContact C-N 3.27Å; C387-K389 PolarHBondContact O-N 2.81Å; C387-N390 VanDerWaalsContact O-CB 3.24Å; C387-N390 WeakPolarHBondContact O-CB 3.42Å; C387-N390 PolarHBondContact O-N 3.01Å; C387-N390 VanDerWaalsContact O-N 3.08Å; C387-L393 HydrophobicContact CB-CB 3.79Å; C387-A394 HydrophobicContact CB-CB 4.3Å
388D86.3Confident83.6Confident151 Ų15163.7 Ų63.781%0.80735%0.346SS*.THydrogen-bonded Turntrans53.640.3176.3-144.4-121000113.4F385 A386 N390F385-D388 PolarHBondContact O-N 3.19Å; A386-D388 VanDerWaalsContact C-N 3.3Å; A386-D388 PolarHBondContact O-N 2.83Å; D388-N390 VanDerWaalsContact C-N 3.27Å; D388-N390 PolarHBondContact O-N 3.02Å
389K84.8Confident83.5Confident109 Ų10964.9 Ų64.947%0.47434%0.34SS..THydrogen-bonded Turntrans65.221.8-179.7-49.5174.5177.1-153.10114.8E363 Y384 F385 C387E363-K389 WeakPolarHBondContact OE1-CD 3.29Å; E363-K389 WeakPolarHBondContact OE1-CE 3.2Å; E363-K389 IonicContact OE1-NZ 2.71Å; E363-K389 PolarHBondContact OE1-NZ 3.32Å; Y384-K389 HydrophobicContact CD1-CB 4.44Å; Y384-K389 HydrophobicContact CE1-CB 3.71Å; Y384-K389 HydrophobicContact CE1-CG 4.14Å; Y384-K389 VanDerWaalsContact CE2-O 3.32Å; Y384-K389 WeakPolarHBondContact CE2-O 3.41Å; Y384-K389 VanDerWaalsContact O-CA 3.28Å; Y384-K389 WeakPolarHBondContact O-CA 3.35Å; Y384-K389 PolarHBondContact O-N 2.77Å; Y384-K389 PolarHBondContact OH-O 3.47Å; F385-K389 HydrophobicContact CD1-CG 4.45Å; F385-K389 HydrophobicContact CE1-CG 4.49Å; C387-K389 VanDerWaalsContact C-N 3.27Å; C387-K389 PolarHBondContact O-N 2.81Å
390N83.8Confident83.1Confident67 Ų6765.9 Ų65.936%0.35834%0.342SS..  trans-93.4113.4179.1-170.7-62000111.6C387 D388 N392 L393 A394C387-N390 VanDerWaalsContact O-CB 3.24Å; C387-N390 WeakPolarHBondContact O-CB 3.42Å; C387-N390 PolarHBondContact O-N 3.01Å; C387-N390 VanDerWaalsContact O-N 3.08Å; D388-N390 VanDerWaalsContact C-N 3.27Å; D388-N390 PolarHBondContact O-N 3.02Å; N390-N392 PolarHBondContact O-N 2.88Å; N390-N392 PolarHBondContact OD1-N 2.97Å; N390-N392 VanDerWaalsContact OD1-N 3.12Å; N390-L393 HydrophobicContact CB-CB 4.07Å; N390-L393 HydrophobicContact CB-CD1 3.98Å; N390-L393 HydrophobicContact CB-CG 4.19Å; N390-L393 PolarHBondContact O-N 3.25Å; N390-L393 PolarHBondContact OD1-N 3.36Å; N390-A394 VanDerWaalsContact O-CB 3.26Å; N390-A394 WeakPolarHBondContact O-CB 3.27Å; N390-A394 PolarHBondContact O-N 3.44Å
391E83.9Confident82.4Confident69 Ų6971.8 Ų71.832%0.32237%0.369SS..Hα-helixtrans-58.1-42.3-178.8-173.3-178.7154.100112.6A366 R369 L370 Y384 A395A366-E391 HydrophobicContact CB-CB 4.31Å; A366-E391 HydrophobicContact CB-CG 4.2Å; R369-E391 WeakPolarHBondContact CD-OE1 3.2Å; L370-E391 HydrophobicContact CD1-CG 4.34Å; L370-E391 HydrophobicContact CG-CG 4.4Å; Y384-E391 HydrophobicContact CE2-CB 4.31Å; E391-A395 VanDerWaalsContact O-CB 3.28Å; E391-A395 WeakPolarHBondContact O-CB 3.24Å; E391-A395 PolarHBondContact O-N 2.88Å
392N84Confident81.4Confident129 Ų12974.9 Ų74.969%0.6939%0.387SS*.Hα-helixtrans-70.9-39.6-177.7-65.494.2000112.8N390 N396N390-N392 PolarHBondContact O-N 2.88Å; N390-N392 PolarHBondContact OD1-N 2.97Å; N390-N392 VanDerWaalsContact OD1-N 3.12Å; N392-N396 WeakPolarHBondContact O-CB 3.44Å; N392-N396 PolarHBondContact O-N 3.46Å
393L83.7Confident80.1Confident96 Ų9676.9 Ų76.950%0.50339%0.394SS..Hα-helixtrans-70.4-40.4175.3-67.3175.9000111C387 N390 N396 F397C387-L393 HydrophobicContact CB-CB 3.79Å; N390-L393 HydrophobicContact CB-CB 4.07Å; N390-L393 HydrophobicContact CB-CD1 3.98Å; N390-L393 HydrophobicContact CB-CG 4.19Å; N390-L393 PolarHBondContact O-N 3.25Å; N390-L393 PolarHBondContact OD1-N 3.36Å; L393-N396 PolarHBondContact O-N 3.34Å; L393-F397 VanDerWaalsContact O-CB 3.27Å; L393-F397 WeakPolarHBondContact O-CB 3.41Å; L393-F397 PolarHBondContact O-N 3.42Å
394A84.9Confident78.6Confident0 Ų083.7 Ų83.70%043%0.43CS..Hα-helixtrans-61.6-45.1174.300000111.7L370 Y384 C387 N390 F397 L398L370-A394 HydrophobicContact CD1-CB 4.13Å; Y384-A394 HydrophobicContact CD2-CB 4.12Å; C387-A394 HydrophobicContact CB-CB 4.3Å; N390-A394 VanDerWaalsContact O-CB 3.26Å; N390-A394 WeakPolarHBondContact O-CB 3.27Å; N390-A394 PolarHBondContact O-N 3.44Å; A394-F397 PolarHBondContact O-N 2.84Å; A394-L398 WeakPolarHBondContact O-CB 3.48Å; A394-L398 WeakPolarHBondContact O-CD1 3.42Å; A394-L398 WeakPolarHBondContact O-CG 3.46Å; A394-L398 PolarHBondContact O-N 3.45Å
395A82.3Confident76.9Confident19 Ų1990.7 Ų90.716%0.15747%0.468CS..Hα-helixtrans-57.6-49.6173.600000111.4L370 E391 F397 L398 L399L370-A395 HydrophobicContact CD2-CB 3.67Å; E391-A395 VanDerWaalsContact O-CB 3.28Å; E391-A395 WeakPolarHBondContact O-CB 3.24Å; E391-A395 PolarHBondContact O-N 2.88Å; A395-F397 PolarHBondContact O-N 2.95Å; A395-L398 PolarHBondContact O-N 3.22Å; A395-L399 VanDerWaalsContact O-CB 3.31Å; A395-L399 WeakPolarHBondContact O-CB 3.18Å; A395-L399 WeakPolarHBondContact O-CD1 3.45Å; A395-L399 VanDerWaalsContact O-CG 3.23Å; A395-L399 WeakPolarHBondContact O-CG 3.48Å; A395-L399 PolarHBondContact O-N 3.19Å
396N83.1Confident74.7Confident76 Ų7698.9 Ų98.941%0.40652%0.515SS..Hα-helixtrans-65.6-39.9-178.3-164.237000111.9N392 L393 L399 Q400N392-N396 WeakPolarHBondContact O-CB 3.44Å; N392-N396 PolarHBondContact O-N 3.46Å; L393-N396 PolarHBondContact O-N 3.34Å; N396-L399 PolarHBondContact O-N 3.48Å; N396-Q400 VanDerWaalsContact CG-OE1 3.22Å; N396-Q400 PolarHBondContact ND2-OE1 2.7Å; N396-Q400 VanDerWaalsContact ND2-OE1 3.14Å; N396-Q400 PolarHBondContact O-N 2.89Å; N396-Q400 PolarHBondContact O-NE2 3.36Å; N396-Q400 PolarHBondContact O-OE1 3.42Å; N396-Q400 PolarHBondContact OD1-NE2 3Å; N396-Q400 PolarHBondContact OD1-OE1 3.04Å
397F82.8Confident74.2Confident98 Ų98100 Ų10043%0.4351%0.509SS..Hα-helixtrans-64.3-44.5175.4-176.5-96.2000112.3A383 L393 A394 A395 Q400 Q401A383-F397 HydrophobicContact CB-CD1 3.86Å; A383-F397 HydrophobicContact CB-CE1 4.42Å; L393-F397 VanDerWaalsContact O-CB 3.27Å; L393-F397 WeakPolarHBondContact O-CB 3.41Å; L393-F397 PolarHBondContact O-N 3.42Å; A394-F397 PolarHBondContact O-N 2.84Å; A395-F397 PolarHBondContact O-N 2.95Å; F397-Q400 PolarHBondContact O-N 3.28Å; F397-Q401 HydrophobicContact CD1-CG 4.31Å; F397-Q401 HydrophobicContact CE1-CG 3.95Å; F397-Q401 HydrophobicContact CE2-CG 4.49Å; F397-Q401 HydrophobicContact CZ-CG 4.05Å; F397-Q401 WeakPolarHBondContact O-CB 3.45Å; F397-Q401 WeakPolarHBondContact O-CG 3.42Å; F397-Q401 PolarHBondContact O-N 2.66Å
398L82Confident73.6Confident10 Ų10104 Ų1045%0.05253%0.527CS..Hα-helixtrans-64.5-41.1174.6-71.7164000111.8L370 F375 L379 V380 A383 A394 A395 Q401 N402L370-L398 HydrophobicContact CD2-CD1 4.23Å; F375-L398 HydrophobicContact CB-CD1 4.42Å; F375-L398 HydrophobicContact CD1-CB 4.02Å; F375-L398 HydrophobicContact CD2-CB 4.36Å; F375-L398 HydrophobicContact CD2-CD1 4.36Å; F375-L398 HydrophobicContact CE1-CB 3.96Å; F375-L398 HydrophobicContact CE2-CB 4.32Å; F375-L398 HydrophobicContact CG-CB 4.23Å; F375-L398 HydrophobicContact CG-CD1 4.28Å; F375-L398 HydrophobicContact CZ-CB 4.12Å; L379-L398 HydrophobicContact CB-CD2 4.06Å; V380-L398 HydrophobicContact CG2-CD1 4.06Å; A383-L398 HydrophobicContact CB-CD1 4.04Å; A383-L398 HydrophobicContact CB-CD2 3.73Å; A383-L398 HydrophobicContact CB-CG 3.65Å; A394-L398 WeakPolarHBondContact O-CB 3.48Å; A394-L398 WeakPolarHBondContact O-CD1 3.42Å; A394-L398 WeakPolarHBondContact O-CG 3.46Å; A394-L398 PolarHBondContact O-N 3.45Å; A395-L398 PolarHBondContact O-N 3.22Å; L398-Q401 PolarHBondContact O-N 2.91Å; L398-N402 VanDerWaalsContact O-CB 3.29Å; L398-N402 WeakPolarHBondContact O-CB 3.31Å; L398-N402 PolarHBondContact O-N 3.46Å
399L79.6Confident72.9Confident79 Ų79101.4 Ų101.441%0.41451%0.512SS..Hα-helixtrans-60.9-49.8173.8-77.6159.6000111F375 A395 N396 Q401 N402 F403F375-L399 HydrophobicContact CZ-CD2 4Å; F375-L399 HydrophobicContact CZ-CG 4.03Å; A395-L399 VanDerWaalsContact O-CB 3.31Å; A395-L399 WeakPolarHBondContact O-CB 3.18Å; A395-L399 WeakPolarHBondContact O-CD1 3.45Å; A395-L399 VanDerWaalsContact O-CG 3.23Å; A395-L399 WeakPolarHBondContact O-CG 3.48Å; A395-L399 PolarHBondContact O-N 3.19Å; N396-L399 PolarHBondContact O-N 3.48Å; L399-Q401 PolarHBondContact O-N 3.35Å; L399-N402 PolarHBondContact O-N 2.99Å; L399-F403 WeakPolarHBondContact O-CD2 3.43Å
400Q74.9Confident72.2Confident114 Ų114100.9 Ų100.953%0.53351%0.514SS..Hα-helixtrans-61-40.7176.6-95.692.381.100112.8N396 F397 F403N396-Q400 VanDerWaalsContact CG-OE1 3.22Å; N396-Q400 PolarHBondContact ND2-OE1 2.7Å; N396-Q400 VanDerWaalsContact ND2-OE1 3.14Å; N396-Q400 PolarHBondContact O-N 2.89Å; N396-Q400 PolarHBondContact O-NE2 3.36Å; N396-Q400 PolarHBondContact O-OE1 3.42Å; N396-Q400 PolarHBondContact OD1-NE2 3Å; N396-Q400 PolarHBondContact OD1-OE1 3.04Å; F397-Q400 PolarHBondContact O-N 3.28Å; Q400-F403 PolarHBondContact O-N 3.38Å
401Q69.2Low71.5Confident124 Ų124103.1 Ų103.158%0.57952%0.524SS*.Hα-helixtrans-69.3-31.5178.4-76.3-76.4-78.900113F397 L398 L399 F403F397-Q401 HydrophobicContact CD1-CG 4.31Å; F397-Q401 HydrophobicContact CE1-CG 3.95Å; F397-Q401 HydrophobicContact CE2-CG 4.49Å; F397-Q401 HydrophobicContact CZ-CG 4.05Å; F397-Q401 WeakPolarHBondContact O-CB 3.45Å; F397-Q401 WeakPolarHBondContact O-CG 3.42Å; F397-Q401 PolarHBondContact O-N 2.66Å; L398-Q401 PolarHBondContact O-N 2.91Å; L399-Q401 PolarHBondContact O-N 3.35Å; Q401-F403 PolarHBondContact O-N 2.71Å
402N61.8Low70.7Confident110 Ų110105.3 Ų105.359%0.58854%0.537SS*.THydrogen-bonded Turntrans-83.18.5-179.8-152.8109.5000113.4F375 L398 L399F375-N402 HydrophobicContact CE1-CB 3.97Å; L398-N402 VanDerWaalsContact O-CB 3.29Å; L398-N402 WeakPolarHBondContact O-CB 3.31Å; L398-N402 PolarHBondContact O-N 3.46Å; L399-N402 PolarHBondContact O-N 2.99Å
403F55Low69.8Low177 Ų177103.6 Ų103.678%0.77653%0.526SS*.THydrogen-bonded Turntrans-108.35.4174.3-87.6-66.5000113.8L399 Q400 Q401L399-F403 WeakPolarHBondContact O-CD2 3.43Å; Q400-F403 PolarHBondContact O-N 3.38Å; Q401-F403 PolarHBondContact O-N 2.71Å
404D50.7Low68.7Low146 Ų146104.2 Ų104.278%0.78153%0.528SS*.SBendtrans-108.912.4-176.2-146.4-124.3000113.4
405D48.3Very low67.3Low165 Ų165112.9 Ų112.988%0.88257%0.572SS**  trans-124.265.9-179.2-151.8-93.8000110.7
406D38.3Very low66Low237 Ų237121.5 Ų121.5100%1.26761%0.61SS**  trans-150.40160-166.3-111.8000110.5

Retrieved 406 of 406 residues in 320.1 ms (Link to these results)

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