A0A087WU44_HUMAN Loading...

Chromodomain helicase DNA binding protein 9

AlphaFold DB , UniProt , Accession A0A087WU44, Species HUMAN (Homo sapiens, Human), Gene CHD9, Length 963 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
1M69.3Low75.5Confident99 Ų9964.7 Ų64.749%0.48830%0.304SS..  0-60.20-172.3173.5-75.400110.7Y3 Y4 Y60 L153 R154 I157M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 2.57Å; M1-Y3 VanDerWaalsContact O-N 3.16Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.31Å; M1-Y60 HydrophobicContact CE-CD2 4.43Å; M1-Y60 HydrophobicContact CE-CE2 4.09Å; M1-Y60 HydrophobicContact SD-CD2 3.48Å; M1-Y60 WeakPolarHBondContact SD-CD2 3.47Å; M1-Y60 HydrophobicContact SD-CE2 3.68Å; M1-Y60 HydrophobicContact SD-CG 4.45Å; M1-L153 HydrophobicContact SD-CD2 4.05Å; M1-L153 HydrophobicContact SD-CG 4.44Å; M1-R154 HydrophobicContact CE-CG 4.37Å; M1-I157 HydrophobicContact CE-CD1 3.99Å; M1-I157 HydrophobicContact CG-CD1 3.63Å; M1-I157 HydrophobicContact SD-CD1 3.42Å; M1-I157 WeakPolarHBondContact SD-CD1 3.48Å
2L77.2Confident75.5Confident64 Ų6473.3 Ų73.334%0.33535%0.353SS..Hα-helixtrans-49-41.3-178.1-55.6-178.7000114.7Y4 L5 K6 V55L2-Y4 VanDerWaalsContact C-N 3.27Å; L2-Y4 PolarHBondContact O-N 2.99Å; L2-L5 HydrophobicContact CD2-CD1 4.37Å; L2-L5 WeakPolarHBondContact O-CA 3.38Å; L2-L5 WeakPolarHBondContact O-CB 3.39Å; L2-L5 PolarHBondContact O-N 3.44Å; L2-K6 PolarHBondContact O-N 3.09Å; L2-V55 HydrophobicContact CD2-CG1 3.89Å; L2-V55 WeakPolarHBondContact CD2-O 3.42Å
3Y77.1Confident75.5Confident173 Ų17370 Ų7068%0.67834%0.337SS*.Hα-helixtrans-54.2-37.6174-179.2-95.9000114M1 K6 Q7M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 2.57Å; M1-Y3 VanDerWaalsContact O-N 3.16Å; Y3-K6 PolarHBondContact O-N 2.74Å; Y3-Q7 HydrophobicContact CE1-CB 4.37Å; Y3-Q7 VanDerWaalsContact O-CB 3.27Å; Y3-Q7 WeakPolarHBondContact O-CB 3.12Å; Y3-Q7 PolarHBondContact O-N 3.06Å
4Y78.4Confident75.6Confident40 Ų4066.9 Ų66.916%0.15733%0.326CS..Hα-helixtrans-71-35.9176.4-176.6-103.6000111.8M1 L2 E8 V9 I157 Q161M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.31Å; L2-Y4 VanDerWaalsContact C-N 3.27Å; L2-Y4 PolarHBondContact O-N 2.99Å; Y4-E8 HydrophobicContact CD2-CB 3.69Å; Y4-E8 HydrophobicContact CD2-CG 3.86Å; Y4-E8 HydrophobicContact CE2-CB 3.36Å; Y4-E8 HydrophobicContact CE2-CG 3.66Å; Y4-E8 HydrophobicContact CG-CB 4.37Å; Y4-E8 WeakPolarHBondContact O-CB 3.35Å; Y4-E8 PolarHBondContact O-N 3.14Å; Y4-V9 HydrophobicContact CD1-CG2 4.3Å; Y4-V9 HydrophobicContact CE1-CG2 4.01Å; Y4-I157 HydrophobicContact CD1-CG2 4.07Å; Y4-I157 HydrophobicContact CE1-CG2 4.27Å; Y4-Q161 HydrophobicContact CD1-CG 4.48Å; Y4-Q161 HydrophobicContact CE1-CG 3.69Å; Y4-Q161 HydrophobicContact CE2-CG 4.13Å
5L79.3Confident75.6Confident0 Ų069.9 Ų69.90%034%0.339CS..Hα-helixtrans-64.2-45.7172.6-64.2173000110.6L2 Q7 V9 I10 L52 V55 F56 I157L2-L5 HydrophobicContact CD2-CD1 4.37Å; L2-L5 WeakPolarHBondContact O-CA 3.38Å; L2-L5 WeakPolarHBondContact O-CB 3.39Å; L2-L5 PolarHBondContact O-N 3.44Å; L5-Q7 PolarHBondContact O-N 3.23Å; L5-V9 HydrophobicContact CD2-CB 4.23Å; L5-V9 HydrophobicContact CD2-CG1 4.31Å; L5-V9 HydrophobicContact CD2-CG2 4.08Å; L5-V9 PolarHBondContact O-N 3.39Å; L5-I10 PolarHBondContact O-N 3.45Å; L5-L52 HydrophobicContact CD2-CD2 3.74Å; L5-V55 HydrophobicContact CD1-CB 4.31Å; L5-V55 HydrophobicContact CD1-CG1 3.68Å; L5-F56 HydrophobicContact CB-CB 4.25Å; L5-F56 HydrophobicContact CB-CD2 4.45Å; L5-F56 HydrophobicContact CD1-CB 4.4Å; L5-I157 HydrophobicContact CD2-CD1 4.49Å; L5-I157 HydrophobicContact CD2-CG1 4.24Å
6K77Confident75.8Confident100 Ų10070.4 Ų70.444%0.43534%0.339SS..Iπ-helixtrans-58-49.6175.6-166.5173.4-179.4173.90112.2L2 Y3 G11 C14 F56L2-K6 PolarHBondContact O-N 3.09Å; Y3-K6 PolarHBondContact O-N 2.74Å; K6-G11 WeakPolarHBondContact O-CA 3.5Å; K6-G11 PolarHBondContact O-N 3.14Å; K6-C14 HydrophobicContact CG-CB 4.43Å; K6-F56 HydrophobicContact CB-CD2 4.2Å; K6-F56 HydrophobicContact CB-CE2 3.55Å; K6-F56 HydrophobicContact CB-CZ 4.23Å; K6-F56 HydrophobicContact CD-CE2 4.11Å; K6-F56 HydrophobicContact CD-CZ 4.33Å; K6-F56 HydrophobicContact CG-CE2 3.73Å; K6-F56 HydrophobicContact CG-CZ 3.94Å
7Q71.7Confident76.1Confident109 Ų10966.3 Ų66.351%0.50932%0.319SS..Iπ-helixtrans-87.6-32.5-166.3-166.162.458.400114.3Y3 L5Y3-Q7 HydrophobicContact CE1-CB 4.37Å; Y3-Q7 VanDerWaalsContact O-CB 3.27Å; Y3-Q7 WeakPolarHBondContact O-CB 3.12Å; Y3-Q7 PolarHBondContact O-N 3.06Å; L5-Q7 PolarHBondContact O-N 3.23Å
8E71.8Confident76.3Confident80 Ų8068.7 Ų68.737%0.37433%0.328SS..Iπ-helixtrans-130.52.9-161.8-68.7-101.2-132.200113.8Y4 N164Y4-E8 HydrophobicContact CD2-CB 3.69Å; Y4-E8 HydrophobicContact CD2-CG 3.86Å; Y4-E8 HydrophobicContact CE2-CB 3.36Å; Y4-E8 HydrophobicContact CE2-CG 3.66Å; Y4-E8 HydrophobicContact CG-CB 4.37Å; Y4-E8 WeakPolarHBondContact O-CB 3.35Å; Y4-E8 PolarHBondContact O-N 3.14Å; E8-N164 PolarHBondContact OE2-ND2 3.47Å
9V70.9Confident76.5Confident19 Ų1970.6 Ų70.612%0.11534%0.34CS..Iπ-helixtrans-128.8-49.5178.3176.40000112Y4 L5 V28 Y160Y4-V9 HydrophobicContact CD1-CG2 4.3Å; Y4-V9 HydrophobicContact CE1-CG2 4.01Å; L5-V9 HydrophobicContact CD2-CB 4.23Å; L5-V9 HydrophobicContact CD2-CG1 4.31Å; L5-V9 HydrophobicContact CD2-CG2 4.08Å; L5-V9 PolarHBondContact O-N 3.39Å; V9-V28 HydrophobicContact CG1-CG1 4Å; V9-Y160 HydrophobicContact CB-CE1 4.23Å; V9-Y160 HydrophobicContact CG1-CD1 4.38Å; V9-Y160 HydrophobicContact CG1-CD2 4.48Å; V9-Y160 HydrophobicContact CG1-CE1 3.7Å; V9-Y160 HydrophobicContact CG1-CE2 3.82Å; V9-Y160 WeakPolarHBondContact CG1-OH 3.34Å; V9-Y160 HydrophobicContact CG2-CD1 3.75Å; V9-Y160 HydrophobicContact CG2-CD2 4.03Å; V9-Y160 HydrophobicContact CG2-CE1 3.94Å; V9-Y160 HydrophobicContact CG2-CE2 4.21Å; V9-Y160 HydrophobicContact CG2-CG 3.8Å
10I78.6Confident76.4Confident7 Ų768.9 Ų68.94%0.03634%0.342CS..Iπ-helixtrans-100.7-38.7-177.8-59.2173.3000110.6L5 N12 E13 C14 V17 V28 F56L5-I10 PolarHBondContact O-N 3.45Å; I10-N12 PolarHBondContact O-N 3.44Å; I10-E13 HydrophobicContact CG2-CB 4.26Å; I10-E13 PolarHBondContact O-N 3.34Å; I10-E13 VanDerWaalsContact O-N 3.07Å; I10-C14 HydrophobicContact CG2-CB 4.13Å; I10-V17 HydrophobicContact CG2-CG2 3.92Å; I10-V28 HydrophobicContact CB-CG2 4.39Å; I10-V28 HydrophobicContact CG1-CG2 3.94Å; I10-V28 HydrophobicContact CG2-CG2 4.48Å; I10-F56 HydrophobicContact CD1-CB 3.47Å; I10-F56 VanDerWaalsContact CD1-CB 3.47Å; I10-F56 HydrophobicContact CD1-CD1 3.42Å; I10-F56 VanDerWaalsContact CD1-CD1 3.42Å; I10-F56 HydrophobicContact CD1-CD2 4.48Å; I10-F56 HydrophobicContact CD1-CE1 4.33Å; I10-F56 HydrophobicContact CD1-CG 3.52Å
11G79.6Confident76.5Confident21 Ų2168 Ų6822%0.21634%0.34CS..G310 helixtrans54.8-119.8169.300000113K6 E13 C14K6-G11 WeakPolarHBondContact O-CA 3.5Å; K6-G11 PolarHBondContact O-N 3.14Å; G11-E13 PolarHBondContact O-N 3.41Å; G11-C14 WeakPolarHBondContact O-CB 3.41Å; G11-C14 PolarHBondContact O-N 3.49Å; G11-C14 PolarHBondContact O-SG 2.86Å
12N74.7Confident77Confident167 Ų16767.2 Ų67.289%0.89334%0.338SS*.G310 helixtrans-63.9-23.6-176.7-61.9-1.3000113.2I10 C14I10-N12 PolarHBondContact O-N 3.44Å; N12-C14 VanDerWaalsContact C-N 3.27Å; N12-C14 PolarHBondContact O-N 3.25Å
13E76.3Confident77.1Confident31 Ų3164.5 Ų64.515%0.14533%0.325CS..G310 helixtrans-85.93.6-178.6-60.8-162.2122.700113.7I10 G11 Q15 K16 V17 I26 D27I10-E13 HydrophobicContact CG2-CB 4.26Å; I10-E13 PolarHBondContact O-N 3.34Å; I10-E13 VanDerWaalsContact O-N 3.07Å; G11-E13 PolarHBondContact O-N 3.41Å; E13-Q15 PolarHBondContact O-N 3.08Å; E13-Q15 VanDerWaalsContact O-N 3.09Å; E13-K16 HydrophobicContact CB-CD 4.27Å; E13-K16 HydrophobicContact CG-CD 4.25Å; E13-K16 WeakPolarHBondContact O-CB 3.46Å; E13-K16 PolarHBondContact O-N 2.78Å; E13-K16 VanDerWaalsContact O-N 3.09Å; E13-K16 WeakPolarHBondContact OE1-CE 3.24Å; E13-K16 IonicContact OE1-NZ 3.5Å; E13-K16 PolarHBondContact OE1-NZ 2.85Å; E13-V17 PolarHBondContact O-N 3.18Å; E13-I26 HydrophobicContact CB-CG2 4.45Å; E13-I26 VanDerWaalsContact OE2-CG2 3.31Å; E13-I26 WeakPolarHBondContact OE2-CG2 3.36Å; E13-D27 VanDerWaalsContact CD-N 3.3Å; E13-D27 PolarHBondContact OE1-N 2.87Å; E13-D27 VanDerWaalsContact OE1-N 3.16Å; E13-D27 WeakPolarHBondContact OE2-CA 3.27Å; E13-D27 PolarHBondContact OE2-N 3.36Å
14C77.1Confident77.1Confident26 Ų2660.6 Ų60.618%0.17632%0.323CS..Hα-helixtrans-59.5-25.8-179.6630000113.1K6 I10 G11 N12 F18 F56K6-C14 HydrophobicContact CG-CB 4.43Å; I10-C14 HydrophobicContact CG2-CB 4.13Å; G11-C14 WeakPolarHBondContact O-CB 3.41Å; G11-C14 PolarHBondContact O-N 3.49Å; G11-C14 PolarHBondContact O-SG 2.86Å; N12-C14 VanDerWaalsContact C-N 3.27Å; N12-C14 PolarHBondContact O-N 3.25Å; C14-F18 WeakPolarHBondContact O-CD2 3.3Å; C14-F18 PolarHBondContact O-N 3.08Å; C14-F56 HydrophobicContact CB-CE1 3.72Å; C14-F56 HydrophobicContact CB-CZ 3.67Å
15Q75.7Confident77Confident113 Ų11364.1 Ų64.153%0.52835%0.345SS..Hα-helixtrans-68.1-51.6173-165.655.55200111.5E13 V17 F18 D19E13-Q15 PolarHBondContact O-N 3.08Å; E13-Q15 VanDerWaalsContact O-N 3.09Å; Q15-V17 PolarHBondContact O-N 3.47Å; Q15-V17 VanDerWaalsContact O-N 3.08Å; Q15-F18 WeakPolarHBondContact O-CA 3.07Å; Q15-F18 PolarHBondContact O-N 2.95Å; Q15-D19 VanDerWaalsContact C-OD2 3.31Å; Q15-D19 WeakPolarHBondContact CG-OD2 3.49Å; Q15-D19 PolarHBondContact NE2-OD1 3.17Å; Q15-D19 PolarHBondContact O-N 3.31Å
16K78.6Confident77Confident77 Ų7764.1 Ų64.134%0.33535%0.345SS..Hα-helixtrans-48.8-41175.9-67-176.4173.2-177.10112.8E13 D19 G20 V21 D25 I26E13-K16 HydrophobicContact CB-CD 4.27Å; E13-K16 HydrophobicContact CG-CD 4.25Å; E13-K16 WeakPolarHBondContact O-CB 3.46Å; E13-K16 PolarHBondContact O-N 2.78Å; E13-K16 VanDerWaalsContact O-N 3.09Å; E13-K16 WeakPolarHBondContact OE1-CE 3.24Å; E13-K16 IonicContact OE1-NZ 3.5Å; E13-K16 PolarHBondContact OE1-NZ 2.85Å; K16-D19 PolarHBondContact O-N 2.91Å; K16-G20 PolarHBondContact O-N 3.1Å; K16-V21 HydrophobicContact CB-CB 4.21Å; K16-V21 HydrophobicContact CB-CG2 4.06Å; K16-V21 WeakPolarHBondContact O-CB 3.37Å; K16-V21 PolarHBondContact O-N 3.33Å; K16-V21 VanDerWaalsContact O-N 3.14Å; K16-D25 PolarHBondContact NZ-O 3.33Å; K16-I26 HydrophobicContact CB-CG1 4.2Å; K16-I26 HydrophobicContact CD-CG1 4.22Å
17V80Confident76.8Confident1 Ų165.9 Ų65.91%0.00636%0.359CS..Hα-helixtrans-64.9-37.4179.6177.10000112.3I10 E13 Q15 I26 I53 F56 K57I10-V17 HydrophobicContact CG2-CG2 3.92Å; E13-V17 PolarHBondContact O-N 3.18Å; Q15-V17 PolarHBondContact O-N 3.47Å; Q15-V17 VanDerWaalsContact O-N 3.08Å; V17-I26 HydrophobicContact CG2-CD1 3.92Å; V17-I26 HydrophobicContact CG2-CG2 4.38Å; V17-I53 HydrophobicContact CB-CG2 4.46Å; V17-I53 HydrophobicContact CG1-CG2 3.64Å; V17-I53 HydrophobicContact CG2-CG2 4.04Å; V17-F56 HydrophobicContact CB-CD1 4.36Å; V17-F56 HydrophobicContact CB-CE1 4.32Å; V17-F56 HydrophobicContact CG1-CD1 3.91Å; V17-F56 HydrophobicContact CG1-CE1 4.26Å; V17-K57 HydrophobicContact CG1-CB 3.82Å; V17-K57 HydrophobicContact CG1-CD 4.05Å; V17-K57 HydrophobicContact CG1-CG 4.13Å; V17-K57 WeakPolarHBondContact O-CD 3.38Å; V17-K57 WeakPolarHBondContact O-CE 3.35Å
18F79.4Confident77Confident110 Ų11060.9 Ų60.948%0.48234%0.335SS..Hα-helixtrans-78.9-33174.7-68.8-57.5000112.4C14 Q15 G20 F56C14-F18 WeakPolarHBondContact O-CD2 3.3Å; C14-F18 PolarHBondContact O-N 3.08Å; Q15-F18 WeakPolarHBondContact O-CA 3.07Å; Q15-F18 PolarHBondContact O-N 2.95Å; F18-G20 PolarHBondContact O-N 3.39Å; F18-F56 HydrophobicContact CD2-CE1 4.5Å; F18-F56 AromaticContact CE2-CE1 3.76Å; F18-F56 HydrophobicContact CE2-CE1 3.76Å; F18-F56 AromaticContact CE2-CZ 3.55Å; F18-F56 HydrophobicContact CE2-CZ 3.55Å; F18-F56 AromaticContact CZ-CE1 3.81Å; F18-F56 HydrophobicContact CZ-CE1 3.81Å; F18-F56 HydrophobicContact CZ-CE2 4.32Å; F18-F56 AromaticContact CZ-CZ 3.61Å; F18-F56 HydrophobicContact CZ-CZ 3.61Å
19D80.1Confident77.2Confident104 Ų10463.3 Ų63.356%0.55634%0.342SS*.Hα-helixtrans-66-12.3174.7-55-27.8000112.7Q15 K16Q15-D19 VanDerWaalsContact C-OD2 3.31Å; Q15-D19 WeakPolarHBondContact CG-OD2 3.49Å; Q15-D19 PolarHBondContact NE2-OD1 3.17Å; Q15-D19 PolarHBondContact O-N 3.31Å; K16-D19 PolarHBondContact O-N 2.91Å
20G74.5Confident77.5Confident37 Ų3762.6 Ų62.638%0.38134%0.337SS..THydrogen-bonded Turntrans89.116.8174.500000115K16 F18K16-G20 PolarHBondContact O-N 3.1Å; F18-G20 PolarHBondContact O-N 3.39Å
21V79.6Confident77.2Confident49 Ų4962.5 Ų62.530%0.29734%0.337SS..  trans-61.2140.3175179.90000110.6K16 D25 I26K16-V21 HydrophobicContact CB-CB 4.21Å; K16-V21 HydrophobicContact CB-CG2 4.06Å; K16-V21 WeakPolarHBondContact O-CB 3.37Å; K16-V21 PolarHBondContact O-N 3.33Å; K16-V21 VanDerWaalsContact O-N 3.14Å; V21-D25 HydrophobicContact CG1-CB 3.81Å; V21-I26 HydrophobicContact CB-CD1 4.3Å; V21-I26 HydrophobicContact CB-CG1 4.45Å; V21-I26 HydrophobicContact CG1-CD1 4.44Å; V21-I26 HydrophobicContact CG1-CG1 4.2Å; V21-I26 WeakPolarHBondContact O-CD1 3.44Å
22D79.5Confident76.6Confident84 Ų8468.4 Ų68.445%0.44936%0.359SS..  trans-59.3142.9179.6-72.8-48000112.7S24 D25 A71D22-S24 PolarHBondContact O-N 3.47Å; D22-D25 PolarHBondContact O-N 3.13Å; D22-A71 WeakPolarHBondContact OD1-CA 3.48Å
23A80.2Confident76Confident7 Ų761.3 Ų61.36%0.05832%0.322CS..THydrogen-bonded Turntrans-55.7-20.718000000114.1K49 I53 A71 L72A23-K49 WeakPolarHBondContact O-CD 2.92Å; A23-K49 WeakPolarHBondContact O-CE 3.17Å; A23-K49 PolarHBondContact O-NZ 3.32Å; A23-I53 HydrophobicContact CB-CD1 3.94Å; A23-A71 WeakPolarHBondContact CB-O 3.36Å; A23-A71 PolarHBondContact N-O 3.28Å; A23-L72 HydrophobicContact CB-CD2 3.99Å
24S75.6Confident75.3Confident91 Ų9166.1 Ų66.164%0.63635%0.348SS*.THydrogen-bonded Turntrans-64.3-47.7173-57.70000112.4D22 I26 K49D22-S24 PolarHBondContact O-N 3.47Å; S24-I26 VanDerWaalsContact C-N 3.29Å; S24-I26 PolarHBondContact O-N 3.05Å; S24-K49 PolarHBondContact O-NZ 3.24Å
25D76.4Confident74.4Confident114 Ų11471 Ų7161%0.6137%0.368SS*.SBendtrans-885.1-167.7-65.9-11.6000114.4K16 V21 D22K16-D25 PolarHBondContact NZ-O 3.33Å; V21-D25 HydrophobicContact CG1-CB 3.81Å; D22-D25 PolarHBondContact O-N 3.13Å
26I79.2Confident73.6Confident0 Ų070.6 Ų70.60%038%0.378CS..SBendtrans-99.2115.2175.4-70.2158.4000107.3E13 K16 V17 V21 S24 V28 K49 I53E13-I26 HydrophobicContact CB-CG2 4.45Å; E13-I26 VanDerWaalsContact OE2-CG2 3.31Å; E13-I26 WeakPolarHBondContact OE2-CG2 3.36Å; K16-I26 HydrophobicContact CB-CG1 4.2Å; K16-I26 HydrophobicContact CD-CG1 4.22Å; V17-I26 HydrophobicContact CG2-CD1 3.92Å; V17-I26 HydrophobicContact CG2-CG2 4.38Å; V21-I26 HydrophobicContact CB-CD1 4.3Å; V21-I26 HydrophobicContact CB-CG1 4.45Å; V21-I26 HydrophobicContact CG1-CD1 4.44Å; V21-I26 HydrophobicContact CG1-CG1 4.2Å; V21-I26 WeakPolarHBondContact O-CD1 3.44Å; S24-I26 VanDerWaalsContact C-N 3.29Å; S24-I26 PolarHBondContact O-N 3.05Å; I26-V28 HydrophobicContact CG2-CB 4.29Å; I26-V28 HydrophobicContact CG2-CG2 3.57Å; I26-V28 PolarHBondContact O-N 3.33Å; I26-K49 WeakPolarHBondContact O-CE 3.23Å; I26-K49 PolarHBondContact O-NZ 2.9Å; I26-I53 HydrophobicContact CB-CD1 4.22Å; I26-I53 HydrophobicContact CD1-CD1 4.26Å; I26-I53 HydrophobicContact CG2-CD1 3.85Å; I26-I53 HydrophobicContact CG2-CG1 4.49Å
27D72.9Confident73Confident136 Ų13671.7 Ų71.773%0.72739%0.385SS*.  trans-77.857.6179.7-172.827000113E13 W29E13-D27 VanDerWaalsContact CD-N 3.3Å; E13-D27 PolarHBondContact OE1-N 2.87Å; E13-D27 VanDerWaalsContact OE1-N 3.16Å; E13-D27 WeakPolarHBondContact OE2-CA 3.27Å; E13-D27 PolarHBondContact OE2-N 3.36Å; D27-W29 PolarHBondContact O-N 3.04Å
28V77.5Confident73Confident4 Ų474.5 Ų74.52%0.02440%0.402CS..  trans-8496.3169.2169.50000109.2V9 I10 I26 V30 K49 Y160V9-V28 HydrophobicContact CG1-CG1 4Å; I10-V28 HydrophobicContact CB-CG2 4.39Å; I10-V28 HydrophobicContact CG1-CG2 3.94Å; I10-V28 HydrophobicContact CG2-CG2 4.48Å; I26-V28 HydrophobicContact CG2-CB 4.29Å; I26-V28 HydrophobicContact CG2-CG2 3.57Å; I26-V28 PolarHBondContact O-N 3.33Å; V28-V30 HydrophobicContact CG1-CG2 4.35Å; V28-V30 PolarHBondContact O-N 2.72Å; V28-K49 HydrophobicContact CB-CG 4.43Å; V28-Y160 WeakPolarHBondContact CG1-OH 3.47Å
29W74.6Confident73.2Confident132 Ų13270.5 Ų70.550%0.539%0.387SS..  trans-60.7117.5169.4175.880.6000110.7D27 P31 Y160 T163D27-W29 PolarHBondContact O-N 3.04Å; W29-P31 HydrophobicContact CH2-CB 3.49Å; W29-P31 VanDerWaalsContact CH2-CB 3.49Å; W29-P31 HydrophobicContact CH2-CG 4.29Å; W29-P31 HydrophobicContact CZ2-CB 4.25Å; W29-P31 HydrophobicContact CZ3-CB 3.78Å; W29-P31 HydrophobicContact CZ3-CG 4.07Å; W29-Y160 HydrophobicContact CE3-CE1 4.23Å; W29-Y160 HydrophobicContact CZ3-CE1 4.49Å; W29-Y160 WeakPolarHBondContact O-CE1 3.46Å; W29-Y160 VanDerWaalsContact O-CZ 3.24Å; W29-Y160 PolarHBondContact O-OH 3.41Å; W29-T163 HydrophobicContact CH2-CG2 3.5Å; W29-T163 VanDerWaalsContact CH2-CG2 3.5Å; W29-T163 HydrophobicContact CZ2-CG2 4.41Å; W29-T163 HydrophobicContact CZ3-CG2 4.13Å
30V76.8Confident73.3Confident3 Ų366.5 Ų66.52%0.01837%0.368CS..  trans-98.7127.6176.1-171.80000110.8V28 E32 F45 D48 K49 L52 L156 Y160V28-V30 HydrophobicContact CG1-CG2 4.35Å; V28-V30 PolarHBondContact O-N 2.72Å; V30-E32 PolarHBondContact O-N 3.06Å; V30-F45 HydrophobicContact CB-CD2 4.38Å; V30-F45 HydrophobicContact CB-CE1 4.39Å; V30-F45 HydrophobicContact CB-CE2 3.71Å; V30-F45 HydrophobicContact CB-CZ 3.71Å; V30-F45 HydrophobicContact CG2-CE1 4.32Å; V30-F45 HydrophobicContact CG2-CE2 4.49Å; V30-F45 HydrophobicContact CG2-CZ 4.09Å; V30-F45 WeakPolarHBondContact O-CE2 3.37Å; V30-D48 HydrophobicContact CG1-CB 4.28Å; V30-K49 HydrophobicContact CG2-CB 3.96Å; V30-K49 HydrophobicContact CG2-CG 4.18Å; V30-L52 HydrophobicContact CG1-CD1 4.12Å; V30-L52 HydrophobicContact CG2-CD1 3.99Å; V30-L156 HydrophobicContact CG1-CD2 3.83Å; V30-Y160 WeakPolarHBondContact CA-OH 3.3Å
31P73.9Confident73.5Confident5 Ų574.5 Ų74.53%0.03240%0.396CS..  trans-69.7114.5170.324.6-28.9000110.2W29 P33 A159 Y160W29-P31 HydrophobicContact CH2-CB 3.49Å; W29-P31 VanDerWaalsContact CH2-CB 3.49Å; W29-P31 HydrophobicContact CH2-CG 4.29Å; W29-P31 HydrophobicContact CZ2-CB 4.25Å; W29-P31 HydrophobicContact CZ3-CB 3.78Å; W29-P31 HydrophobicContact CZ3-CG 4.07Å; P31-P33 VanDerWaalsContact O-CD 3.25Å; P31-P33 WeakPolarHBondContact O-CD 3.48Å; P31-P33 VanDerWaalsContact O-N 3.13Å; P31-A159 HydrophobicContact CB-CB 3.97Å; P31-A159 HydrophobicContact CG-CB 3.76Å; P31-Y160 VanDerWaalsContact CD-CE1 3.48Å; P31-Y160 VanDerWaalsContact CD-CE2 3.44Å; P31-Y160 HydrophobicContact CG-CD1 4.02Å; P31-Y160 HydrophobicContact CG-CD2 3.79Å; P31-Y160 HydrophobicContact CG-CE1 4.25Å; P31-Y160 HydrophobicContact CG-CE2 4.03Å; P31-Y160 HydrophobicContact CG-CG 3.79Å
32E66.1Low73.7Confident145 Ų14574.9 Ų74.968%0.67839%0.392SS*.  trans-49.4112.8176.2-170.5168.2-123.900111.7V30 H35V30-E32 PolarHBondContact O-N 3.06Å; E32-H35 IonicContact OE1-CE1 2.67Å; E32-H35 PolarHBondContact OE1-CE1 2.71Å; E32-H35 IonicContact OE1-NE2 3.06Å
33P62.3Low74.1Confident18 Ų1871.4 Ų71.412%0.11737%0.373CS..  trans-88.5153.5177.436.3-34.1000110.5P31 H35 R152 L156P31-P33 VanDerWaalsContact O-CD 3.25Å; P31-P33 WeakPolarHBondContact O-CD 3.48Å; P31-P33 VanDerWaalsContact O-N 3.13Å; P33-H35 PolarHBondContact O-N 3.46Å; P33-R152 VanDerWaalsContact CG-NH2 3.35Å; P33-L156 HydrophobicContact CG-CD2 4.02Å
34D61.8Low74.5Confident132 Ų13273.7 Ų73.771%0.70638%0.384SS*.  trans-48.6111.4178.5-55.4-71.2000111.3S36 E37D34-S36 PolarHBondContact O-N 3.11Å; D34-E37 PolarHBondContact O-N 2.95Å
35H58.8Low74.9Confident128 Ų12873.9 Ų73.959%0.59337%0.373SS*.G310 helixtrans-60.3-14.1-168.7-50.4-80000114.6E32 P33 E37E32-H35 IonicContact OE1-CE1 2.67Å; E32-H35 PolarHBondContact OE1-CE1 2.71Å; E32-H35 IonicContact OE1-NE2 3.06Å; P33-H35 PolarHBondContact O-N 3.46Å; H35-E37 PolarHBondContact O-N 2.78Å
36S57.3Low75.3Confident106 Ų10671.6 Ų71.674%0.74136%0.361SS*.G310 helixtrans-62.6-9.9-179.853.20000115.3D34D34-S36 PolarHBondContact O-N 3.11Å
37E66.5Low75.8Confident99 Ų9971.6 Ų71.646%0.46336%0.361SS..G310 helixtrans-136.760.8-177.5-59.2-164.7-99.400112.8D34 H35 R152 R155D34-E37 PolarHBondContact O-N 2.95Å; H35-E37 PolarHBondContact O-N 2.78Å; E37-R152 PolarHBondContact O-NH1 3.06Å; E37-R155 IonicContact OE1-CZ 2.66Å; E37-R155 IonicContact OE1-NE 3.26Å; E37-R155 IonicContact OE1-NH1 3.36Å; E37-R155 IonicContact OE1-NH2 3.55Å; E37-R155 PolarHBondContact OE1-NH2 3.24Å; E37-R155 IonicContact OE2-CZ 2.75Å; E37-R155 IonicContact OE2-NH1 2.79Å; E37-R155 PolarHBondContact OE2-NH1 3.13Å; E37-R155 IonicContact OE2-NH2 3.14Å; E37-R155 PolarHBondContact OE2-NH2 3Å
38V81.4Confident76.6Confident60 Ų6065.3 Ų65.336%0.36433%0.327SS..  trans-78.7146.5167.1-73.20000112.2A40 W43V38-A40 VanDerWaalsContact C-N 3.31Å; V38-A40 WeakPolarHBondContact CG2-O 3.32Å; V38-A40 PolarHBondContact O-N 3.34Å; V38-W43 HydrophobicContact CB-CB 4.31Å
39P82.5Confident77.1Confident27 Ų2766 Ų6618%0.17533%0.33CS..SBendtrans-63.3-28.4177.3-26.636.2000115.8W43 P144 A148 R152P39-W43 HydrophobicContact CB-CD2 4.09Å; P39-W43 HydrophobicContact CB-CE3 4.03Å; P39-W43 HydrophobicContact CB-CG 4.45Å; P39-W43 HydrophobicContact CG-CD2 3.74Å; P39-W43 HydrophobicContact CG-CE3 4.11Å; P39-W43 HydrophobicContact CG-CG 4.07Å; P39-W43 HydrophobicContact CG-CZ2 4.34Å; P39-P144 HydrophobicContact CB-CB 3.67Å; P39-P144 HydrophobicContact CB-CG 3.64Å; P39-A148 HydrophobicContact CB-CB 4.42Å; P39-R152 HydrophobicContact CG-CB 3.69Å; P39-R152 HydrophobicContact CG-CG 3.75Å
40A82.4Confident77.9Confident20 Ų2059.9 Ų59.917%0.16531%0.307CS..SBendtrans-158.3166.4176.600000109.8V38 W42 W43 P144V38-A40 VanDerWaalsContact C-N 3.31Å; V38-A40 WeakPolarHBondContact CG2-O 3.32Å; V38-A40 PolarHBondContact O-N 3.34Å; A40-W42 VanDerWaalsContact C-N 3.26Å; A40-W42 VanDerWaalsContact CB-CD1 3.47Å; A40-W42 HydrophobicContact CB-CG 4.38Å; A40-W42 VanDerWaalsContact CB-NE1 3.29Å; A40-W42 PolarHBondContact O-N 3.46Å; A40-W43 VanDerWaalsContact O-CB 3.23Å; A40-W43 WeakPolarHBondContact O-CB 3.48Å; A40-W43 PolarHBondContact O-N 3.26Å; A40-W43 VanDerWaalsContact O-N 3.11Å; A40-P144 HydrophobicContact CB-CG 4Å
41E78.2Confident78.6Confident205 Ų20559.8 Ų59.896%0.95831%0.306SS*.THydrogen-bonded Turntrans-67.4-24.4-172.7-60.5177.2164.100113.8
42W84.6Confident79.3Confident57 Ų5759.5 Ų59.522%0.21631%0.305CS..THydrogen-bonded Turntrans-85.6-5.4176.164-91.3000114A40 D44 A47 F74 V78 V141 Y142 W143 P144A40-W42 VanDerWaalsContact C-N 3.26Å; A40-W42 VanDerWaalsContact CB-CD1 3.47Å; A40-W42 HydrophobicContact CB-CG 4.38Å; A40-W42 VanDerWaalsContact CB-NE1 3.29Å; A40-W42 PolarHBondContact O-N 3.46Å; W42-D44 PolarHBondContact O-N 3.07Å; W42-A47 HydrophobicContact CZ3-CB 4.15Å; W42-F74 HydrophobicContact CH2-CD1 4.09Å; W42-F74 HydrophobicContact CH2-CE1 4.43Å; W42-V78 HydrophobicContact CH2-CG2 3.63Å; W42-V78 HydrophobicContact CZ2-CG2 3.58Å; W42-V78 HydrophobicContact CZ3-CG2 4.25Å; W42-V141 HydrophobicContact CB-CG1 4.09Å; W42-V141 HydrophobicContact CD2-CG1 3.56Å; W42-V141 HydrophobicContact CE3-CG1 4.4Å; W42-V141 HydrophobicContact CG-CG1 3.38Å; W42-V141 HydrophobicContact CZ2-CG1 4.32Å; W42-V141 VanDerWaalsContact NE1-CG1 3.27Å; W42-Y142 PolarHBondContact NE1-O 3.2Å; W42-W143 HydrophobicContact CH2-CE3 4.47Å; W42-W143 HydrophobicContact CH2-CZ3 4.2Å; W42-W143 HydrophobicContact CZ2-CE3 4.24Å; W42-W143 HydrophobicContact CZ2-CZ3 4.41Å; W42-P144 HydrophobicContact CZ2-CG 4.32Å
43W88.2Confident80.4Confident11 Ų1152.8 Ų52.84%0.04227%0.273CS..  trans-82.8116-166.3-170.7-71.4000112.2V38 P39 A40 A47 D48 L51 F74 P144 L149V38-W43 HydrophobicContact CB-CB 4.31Å; P39-W43 HydrophobicContact CB-CD2 4.09Å; P39-W43 HydrophobicContact CB-CE3 4.03Å; P39-W43 HydrophobicContact CB-CG 4.45Å; P39-W43 HydrophobicContact CG-CD2 3.74Å; P39-W43 HydrophobicContact CG-CE3 4.11Å; P39-W43 HydrophobicContact CG-CG 4.07Å; P39-W43 HydrophobicContact CG-CZ2 4.34Å; A40-W43 VanDerWaalsContact O-CB 3.23Å; A40-W43 WeakPolarHBondContact O-CB 3.48Å; A40-W43 PolarHBondContact O-N 3.26Å; A40-W43 VanDerWaalsContact O-N 3.11Å; W43-A47 HydrophobicContact CD2-CB 3.61Å; W43-A47 HydrophobicContact CE3-CB 4.05Å; W43-A47 HydrophobicContact CG-CB 3.91Å; W43-A47 HydrophobicContact CH2-CB 4.31Å; W43-A47 HydrophobicContact CZ2-CB 3.91Å; W43-A47 WeakPolarHBondContact CZ2-O 3.48Å; W43-A47 HydrophobicContact CZ3-CB 4.38Å; W43-D48 PolarHBondContact NE1-OD1 3.43Å; W43-L51 HydrophobicContact CH2-CB 4.26Å; W43-L51 HydrophobicContact CH2-CD2 4.13Å; W43-L51 HydrophobicContact CZ2-CB 3.99Å; W43-L51 HydrophobicContact CZ2-CD2 3.78Å; W43-L51 HydrophobicContact CZ2-CG 4.42Å; W43-F74 AromaticContact CH2-CE1 3.59Å; W43-F74 HydrophobicContact CH2-CE1 3.59Å; W43-F74 AromaticContact CH2-CZ 3.84Å; W43-F74 HydrophobicContact CH2-CZ 3.84Å; W43-F74 HydrophobicContact CZ2-CE1 4.34Å; W43-F74 HydrophobicContact CZ2-CZ 4.46Å; W43-F74 AromaticContact CZ3-CE1 3.82Å; W43-F74 HydrophobicContact CZ3-CE1 3.82Å; W43-F74 HydrophobicContact CZ3-CZ 4.49Å; W43-P144 HydrophobicContact CE3-CG 3.93Å; W43-P144 HydrophobicContact CZ3-CG 4Å; W43-L149 HydrophobicContact CE3-CD2 4.49Å; W43-L149 HydrophobicContact CH2-CD2 3.43Å; W43-L149 VanDerWaalsContact CH2-CD2 3.43Å; W43-L149 HydrophobicContact CZ2-CD2 4.36Å; W43-L149 HydrophobicContact CZ3-CD2 3.5Å
44D86.9Confident81.6Confident55 Ų5551.9 Ų51.929%0.29427%0.268SS..  trans-115.1-167.3-17264.6-6.1000112.9W42 D46 A47 D48 R77W42-D44 PolarHBondContact O-N 3.07Å; D44-D46 PolarHBondContact OD1-N 3.42Å; D44-A47 VanDerWaalsContact OD1-CB 3.25Å; D44-A47 WeakPolarHBondContact OD1-CB 3.29Å; D44-A47 PolarHBondContact OD1-N 3Å; D44-D48 PolarHBondContact O-N 3.39Å; D44-R77 IonicContact OD1-CZ 3.21Å; D44-R77 IonicContact OD1-NH1 2.65Å; D44-R77 PolarHBondContact OD1-NH1 2.98Å; D44-R77 IonicContact OD1-NH2 3.16Å; D44-R77 IonicContact OD2-CZ 3.6Å; D44-R77 VanDerWaalsContact OD2-CZ 3.27Å; D44-R77 IonicContact OD2-NH1 3.22Å; D44-R77 PolarHBondContact OD2-NH1 3.19Å; D44-R77 IonicContact OD2-NH2 3.95Å; D44-R77 PolarHBondContact OD2-NH2 3.06Å
45F84.9Confident83Confident94 Ų9445.6 Ų45.641%0.41223%0.234SC..Hα-helixtrans-64.4-40.4177.3-174.8-87.6000112.1V30 A47 D48 K49V30-F45 HydrophobicContact CB-CD2 4.38Å; V30-F45 HydrophobicContact CB-CE1 4.39Å; V30-F45 HydrophobicContact CB-CE2 3.71Å; V30-F45 HydrophobicContact CB-CZ 3.71Å; V30-F45 HydrophobicContact CG2-CE1 4.32Å; V30-F45 HydrophobicContact CG2-CE2 4.49Å; V30-F45 HydrophobicContact CG2-CZ 4.09Å; V30-F45 WeakPolarHBondContact O-CE2 3.37Å; F45-A47 VanDerWaalsContact C-N 3.35Å; F45-D48 WeakPolarHBondContact O-CB 3.38Å; F45-D48 PolarHBondContact O-N 3Å; F45-K49 WeakPolarHBondContact O-CB 3.22Å; F45-K49 PolarHBondContact O-N 2.83Å
46D85.8Confident84.3Confident67 Ų6740.4 Ų40.436%0.35821%0.21SC..Hα-helixtrans-71.8-30.6-178.6-61.7-37.8000112D44 S50D44-D46 PolarHBondContact OD1-N 3.42Å; D46-S50 WeakPolarHBondContact O-CB 3.31Å; D46-S50 PolarHBondContact O-N 3.48Å; D46-S50 PolarHBondContact O-OG 3.18Å
47A88.4Confident85.7Confident0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-66.6-41168.400000112.2W42 W43 D44 F45 L51 F74W42-A47 HydrophobicContact CZ3-CB 4.15Å; W43-A47 HydrophobicContact CD2-CB 3.61Å; W43-A47 HydrophobicContact CE3-CB 4.05Å; W43-A47 HydrophobicContact CG-CB 3.91Å; W43-A47 HydrophobicContact CH2-CB 4.31Å; W43-A47 HydrophobicContact CZ2-CB 3.91Å; W43-A47 WeakPolarHBondContact CZ2-O 3.48Å; W43-A47 HydrophobicContact CZ3-CB 4.38Å; D44-A47 VanDerWaalsContact OD1-CB 3.25Å; D44-A47 WeakPolarHBondContact OD1-CB 3.29Å; D44-A47 PolarHBondContact OD1-N 3Å; F45-A47 VanDerWaalsContact C-N 3.35Å; A47-L51 VanDerWaalsContact O-CB 3.29Å; A47-L51 WeakPolarHBondContact O-CB 3.39Å; A47-L51 PolarHBondContact O-N 3.3Å; A47-F74 HydrophobicContact CB-CE1 4.05Å; A47-F74 WeakPolarHBondContact O-CZ 3.45Å
48D90.4Very high86.6Confident3 Ų335.5 Ų35.52%0.01618%0.175CC..Hα-helixtrans-63.3-44.7172.3-81.3-24000112V30 W43 D44 F45 L51 L52 R152 L156V30-D48 HydrophobicContact CG1-CB 4.28Å; W43-D48 PolarHBondContact NE1-OD1 3.43Å; D44-D48 PolarHBondContact O-N 3.39Å; F45-D48 WeakPolarHBondContact O-CB 3.38Å; F45-D48 PolarHBondContact O-N 3Å; D48-L51 PolarHBondContact O-N 3.46Å; D48-L52 WeakPolarHBondContact O-CD1 3.31Å; D48-L52 WeakPolarHBondContact O-CG 3.29Å; D48-L52 PolarHBondContact O-N 2.97Å; D48-L52 VanDerWaalsContact O-N 3.13Å; D48-R152 WeakPolarHBondContact OD1-CG 3.46Å; D48-R152 IonicContact OD1-CZ 2.62Å; D48-R152 IonicContact OD1-NE 3.34Å; D48-R152 PolarHBondContact OD1-NE 3.35Å; D48-R152 IonicContact OD1-NH2 3.82Å; D48-R152 IonicContact OD2-CZ 2.69Å; D48-R152 IonicContact OD2-NE 3.21Å; D48-R152 PolarHBondContact OD2-NE 3.4Å; D48-R152 IonicContact OD2-NH2 3.54Å; D48-R152 PolarHBondContact OD2-NH2 2.73Å; D48-L156 HydrophobicContact CB-CD1 3.87Å; D48-L156 HydrophobicContact CB-CD2 3.99Å
49K88.6Confident86.8Confident20 Ų2033 Ų339%0.08716%0.161CC..Hα-helixtrans-59-50.6176.1-166.2-171.3-171.1-163.30110.9A23 S24 I26 V28 V30 F45 L51 L52 I53A23-K49 WeakPolarHBondContact O-CD 2.92Å; A23-K49 WeakPolarHBondContact O-CE 3.17Å; A23-K49 PolarHBondContact O-NZ 3.32Å; S24-K49 PolarHBondContact O-NZ 3.24Å; I26-K49 WeakPolarHBondContact O-CE 3.23Å; I26-K49 PolarHBondContact O-NZ 2.9Å; V28-K49 HydrophobicContact CB-CG 4.43Å; V30-K49 HydrophobicContact CG2-CB 3.96Å; V30-K49 HydrophobicContact CG2-CG 4.18Å; F45-K49 WeakPolarHBondContact O-CB 3.22Å; F45-K49 PolarHBondContact O-N 2.83Å; K49-L51 VanDerWaalsContact C-N 3.32Å; K49-L51 PolarHBondContact O-N 2.98Å; K49-L52 PolarHBondContact O-N 3.32Å; K49-I53 HydrophobicContact CG-CD1 4.12Å; K49-I53 WeakPolarHBondContact O-CG1 3.33Å; K49-I53 PolarHBondContact O-N 3.21Å
50S90Very high87.1Confident2 Ų234.6 Ų34.61%0.01416%0.164CC..Hα-helixtrans-62.1-36.3177.4-61.70000112.4D46 G54 C73D46-S50 WeakPolarHBondContact O-CB 3.31Å; D46-S50 PolarHBondContact O-N 3.48Å; D46-S50 PolarHBondContact O-OG 3.18Å; S50-G54 PolarHBondContact O-N 3.38Å; S50-C73 PolarHBondContact OG-SG 2.93Å
51L90.9Very high87.2Confident1 Ų137.7 Ų37.71%0.00518%0.175CC..Hα-helixtrans-65.2-40.6176.2-177.462.3000111.5W43 A47 D48 K49 V55 Y63 F74 R152 L153 L156W43-L51 HydrophobicContact CH2-CB 4.26Å; W43-L51 HydrophobicContact CH2-CD2 4.13Å; W43-L51 HydrophobicContact CZ2-CB 3.99Å; W43-L51 HydrophobicContact CZ2-CD2 3.78Å; W43-L51 HydrophobicContact CZ2-CG 4.42Å; A47-L51 VanDerWaalsContact O-CB 3.29Å; A47-L51 WeakPolarHBondContact O-CB 3.39Å; A47-L51 PolarHBondContact O-N 3.3Å; D48-L51 PolarHBondContact O-N 3.46Å; K49-L51 VanDerWaalsContact C-N 3.32Å; K49-L51 PolarHBondContact O-N 2.98Å; L51-V55 HydrophobicContact CD1-CG2 4.15Å; L51-V55 VanDerWaalsContact O-CB 3.24Å; L51-V55 WeakPolarHBondContact O-CB 3.39Å; L51-V55 WeakPolarHBondContact O-CG2 3.3Å; L51-V55 PolarHBondContact O-N 3.46Å; L51-Y63 HydrophobicContact CD1-CD1 3.95Å; L51-Y63 HydrophobicContact CD1-CE1 3.86Å; L51-F74 HydrophobicContact CB-CZ 4.04Å; L51-R152 HydrophobicContact CD2-CB 4.41Å; L51-R152 HydrophobicContact CD2-CG 4.42Å; L51-L153 HydrophobicContact CD2-CB 4.21Å; L51-L156 HydrophobicContact CD2-CD1 4.5Å
52L89.7Confident87.6Confident0 Ų031.2 Ų31.20%014%0.143CC..Hα-helixtrans-68.6-43.9178.4-67.5156.7000111.9L5 V30 D48 K49 F56 L153 L156 Y160L5-L52 HydrophobicContact CD2-CD2 3.74Å; V30-L52 HydrophobicContact CG1-CD1 4.12Å; V30-L52 HydrophobicContact CG2-CD1 3.99Å; D48-L52 WeakPolarHBondContact O-CD1 3.31Å; D48-L52 WeakPolarHBondContact O-CG 3.29Å; D48-L52 PolarHBondContact O-N 2.97Å; D48-L52 VanDerWaalsContact O-N 3.13Å; K49-L52 PolarHBondContact O-N 3.32Å; L52-F56 PolarHBondContact O-N 2.96Å; L52-F56 VanDerWaalsContact O-N 3.15Å; L52-L153 HydrophobicContact CD2-CD1 4.06Å; L52-L156 HydrophobicContact CD1-CD1 4.1Å; L52-L156 HydrophobicContact CD2-CB 4.11Å; L52-L156 HydrophobicContact CD2-CD1 4.26Å; L52-L156 HydrophobicContact CG-CD1 4.03Å; L52-Y160 HydrophobicContact CD1-CE2 3.62Å; L52-Y160 HydrophobicContact CD2-CE2 4.13Å
53I88.2Confident87.9Confident3 Ų328.6 Ų28.62%0.01513%0.134CC..Hα-helixtrans-64.1-50.7177.1-66.8169.8000110.1V17 A23 I26 K49 V55 F56 K57 L72V17-I53 HydrophobicContact CB-CG2 4.46Å; V17-I53 HydrophobicContact CG1-CG2 3.64Å; V17-I53 HydrophobicContact CG2-CG2 4.04Å; A23-I53 HydrophobicContact CB-CD1 3.94Å; I26-I53 HydrophobicContact CB-CD1 4.22Å; I26-I53 HydrophobicContact CD1-CD1 4.26Å; I26-I53 HydrophobicContact CG2-CD1 3.85Å; I26-I53 HydrophobicContact CG2-CG1 4.49Å; K49-I53 HydrophobicContact CG-CD1 4.12Å; K49-I53 WeakPolarHBondContact O-CG1 3.33Å; K49-I53 PolarHBondContact O-N 3.21Å; I53-V55 PolarHBondContact O-N 3.3Å; I53-F56 WeakPolarHBondContact O-CB 3.25Å; I53-F56 PolarHBondContact O-N 2.93Å; I53-F56 VanDerWaalsContact O-N 3.12Å; I53-K57 WeakPolarHBondContact O-CB 3.27Å; I53-K57 PolarHBondContact O-N 3.06Å; I53-L72 HydrophobicContact CB-CD2 4.13Å; I53-L72 HydrophobicContact CG2-CD2 3.81Å
54G88Confident87.8Confident0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-61.5-42.6179.200000113.4S50 F56 K57 H58 I66S50-G54 PolarHBondContact O-N 3.38Å; G54-F56 PolarHBondContact O-N 3.34Å; G54-K57 PolarHBondContact O-N 3.24Å; G54-H58 PolarHBondContact O-N 2.93Å; G54-I66 VanDerWaalsContact C-CD1 3.46Å; G54-I66 WeakPolarHBondContact O-CG1 3.48Å
55V90.6Very high87.8Confident0 Ų028.3 Ų28.30%013%0.134CC..Hα-helixtrans-62.8-32.5175.2166.60000111.9L2 L5 L51 I53 G59 Y63 I66 L153L2-V55 HydrophobicContact CD2-CG1 3.89Å; L2-V55 WeakPolarHBondContact CD2-O 3.42Å; L5-V55 HydrophobicContact CD1-CB 4.31Å; L5-V55 HydrophobicContact CD1-CG1 3.68Å; L51-V55 HydrophobicContact CD1-CG2 4.15Å; L51-V55 VanDerWaalsContact O-CB 3.24Å; L51-V55 WeakPolarHBondContact O-CB 3.39Å; L51-V55 WeakPolarHBondContact O-CG2 3.3Å; L51-V55 PolarHBondContact O-N 3.46Å; I53-V55 PolarHBondContact O-N 3.3Å; V55-G59 CarbonylContact O-C 3.6Å; V55-G59 WeakPolarHBondContact O-CA 3.26Å; V55-G59 PolarHBondContact O-N 3Å; V55-Y63 HydrophobicContact CG2-CE1 4.01Å; V55-I66 HydrophobicContact CB-CD1 4.4Å; V55-I66 HydrophobicContact CG2-CD1 3.74Å; V55-L153 HydrophobicContact CB-CD1 4.33Å; V55-L153 HydrophobicContact CB-CD2 4.49Å; V55-L153 HydrophobicContact CG1-CD1 4.18Å; V55-L153 HydrophobicContact CG1-CD2 3.92Å; V55-L153 HydrophobicContact CG2-CD1 4.15Å; V55-L153 HydrophobicContact CG2-CD2 3.89Å
56F87.9Confident88Confident18 Ų1823.8 Ų23.88%0.07911%0.114CC..Hα-helixtrans-74.1-43.2173.5170.7-111.9000112.8L5 K6 I10 C14 V17 F18 L52 I53 G54L5-F56 HydrophobicContact CB-CB 4.25Å; L5-F56 HydrophobicContact CB-CD2 4.45Å; L5-F56 HydrophobicContact CD1-CB 4.4Å; K6-F56 HydrophobicContact CB-CD2 4.2Å; K6-F56 HydrophobicContact CB-CE2 3.55Å; K6-F56 HydrophobicContact CB-CZ 4.23Å; K6-F56 HydrophobicContact CD-CE2 4.11Å; K6-F56 HydrophobicContact CD-CZ 4.33Å; K6-F56 HydrophobicContact CG-CE2 3.73Å; K6-F56 HydrophobicContact CG-CZ 3.94Å; I10-F56 HydrophobicContact CD1-CB 3.47Å; I10-F56 VanDerWaalsContact CD1-CB 3.47Å; I10-F56 HydrophobicContact CD1-CD1 3.42Å; I10-F56 VanDerWaalsContact CD1-CD1 3.42Å; I10-F56 HydrophobicContact CD1-CD2 4.48Å; I10-F56 HydrophobicContact CD1-CE1 4.33Å; I10-F56 HydrophobicContact CD1-CG 3.52Å; C14-F56 HydrophobicContact CB-CE1 3.72Å; C14-F56 HydrophobicContact CB-CZ 3.67Å; V17-F56 HydrophobicContact CB-CD1 4.36Å; V17-F56 HydrophobicContact CB-CE1 4.32Å; V17-F56 HydrophobicContact CG1-CD1 3.91Å; V17-F56 HydrophobicContact CG1-CE1 4.26Å; F18-F56 HydrophobicContact CD2-CE1 4.5Å; F18-F56 AromaticContact CE2-CE1 3.76Å; F18-F56 HydrophobicContact CE2-CE1 3.76Å; F18-F56 AromaticContact CE2-CZ 3.55Å; F18-F56 HydrophobicContact CE2-CZ 3.55Å; F18-F56 AromaticContact CZ-CE1 3.81Å; F18-F56 HydrophobicContact CZ-CE1 3.81Å; F18-F56 HydrophobicContact CZ-CE2 4.32Å; F18-F56 AromaticContact CZ-CZ 3.61Å; F18-F56 HydrophobicContact CZ-CZ 3.61Å; L52-F56 PolarHBondContact O-N 2.96Å; L52-F56 VanDerWaalsContact O-N 3.15Å; I53-F56 WeakPolarHBondContact O-CB 3.25Å; I53-F56 PolarHBondContact O-N 2.93Å; I53-F56 VanDerWaalsContact O-N 3.12Å; G54-F56 PolarHBondContact O-N 3.34Å
57K85.8Confident88Confident47 Ų4722.4 Ų22.420%0.20410%0.104CC..Hα-helixtrans-71-50.4-175.5-171.9176.1173-1710113.2V17 I53 G54 D69V17-K57 HydrophobicContact CG1-CB 3.82Å; V17-K57 HydrophobicContact CG1-CD 4.05Å; V17-K57 HydrophobicContact CG1-CG 4.13Å; V17-K57 WeakPolarHBondContact O-CD 3.38Å; V17-K57 WeakPolarHBondContact O-CE 3.35Å; I53-K57 WeakPolarHBondContact O-CB 3.27Å; I53-K57 PolarHBondContact O-N 3.06Å; G54-K57 PolarHBondContact O-N 3.24Å; K57-D69 VanDerWaalsContact CD-OD2 3.27Å; K57-D69 WeakPolarHBondContact CD-OD2 3.44Å; K57-D69 VanDerWaalsContact CE-OD2 3.3Å; K57-D69 WeakPolarHBondContact CE-OD2 3.38Å; K57-D69 IonicContact NZ-OD1 2.6Å; K57-D69 PolarHBondContact NZ-OD1 2.82Å; K57-D69 IonicContact NZ-OD2 2.92Å; K57-D69 PolarHBondContact NZ-OD2 3.14Å
58H86.1Confident87.8Confident56 Ų5624.5 Ų24.526%0.25912%0.121SC..THydrogen-bonded Turntrans-95.8-37.9-175.1-60.6-76.4000112.8G54 K62 I66 D69G54-H58 PolarHBondContact O-N 2.93Å; H58-K62 WeakPolarHBondContact O-CD 3.33Å; H58-K62 PolarHBondContact O-NZ 2.83Å; H58-I66 HydrophobicContact CB-CG1 4.04Å; H58-D69 IonicContact CD2-OD2 2.71Å; H58-D69 IonicContact CE1-OD2 2.97Å; H58-D69 IonicContact NE2-OD2 2.67Å; H58-D69 PolarHBondContact NE2-OD2 3.17Å
59G84.8Confident87.5Confident8 Ų824.9 Ų24.98%0.08212%0.123CC..  trans132.5173.3178.300000113.9V55V55-G59 CarbonylContact O-C 3.6Å; V55-G59 WeakPolarHBondContact O-CA 3.26Å; V55-G59 PolarHBondContact O-N 3Å
60Y88.1Confident87.2Confident60 Ų6028.7 Ų28.724%0.23515%0.15CC..THydrogen-bonded Turntrans-74.4146177.4174.6-96.8000111.5M1 K62 T150 L153 R154M1-Y60 HydrophobicContact CE-CD2 4.43Å; M1-Y60 HydrophobicContact CE-CE2 4.09Å; M1-Y60 HydrophobicContact SD-CD2 3.48Å; M1-Y60 WeakPolarHBondContact SD-CD2 3.47Å; M1-Y60 HydrophobicContact SD-CE2 3.68Å; M1-Y60 HydrophobicContact SD-CG 4.45Å; Y60-K62 PolarHBondContact O-N 3.21Å; Y60-T150 VanDerWaalsContact OH-CG2 3.28Å; Y60-T150 WeakPolarHBondContact OH-CG2 3.27Å; Y60-L153 HydrophobicContact CD2-CD2 3.71Å; Y60-L153 HydrophobicContact CE2-CD2 3.72Å; Y60-R154 PolarHBondContact OH-NH2 3.07Å
61E86.3Confident86.9Confident84 Ų8428.9 Ų28.939%0.39315%0.152SC..THydrogen-bonded Turntrans60.9-3.3-177.2-96.4160.1-158.100117.5Y63 Q146E61-Y63 VanDerWaalsContact C-N 3.3Å; E61-Y63 HydrophobicContact CB-CE2 4.32Å; E61-Y63 HydrophobicContact CG-CE2 3.86Å; E61-Y63 WeakPolarHBondContact O-CD2 3.35Å; E61-Y63 PolarHBondContact O-N 3.1Å; E61-Q146 PolarHBondContact O-NE2 3.33Å
62K86.6Confident86.7Confident69 Ų6929.1 Ų29.130%0.315%0.153SC..  trans-81.155.6176.5-74.4-179.1175.9-177.10114.1H58 Y60 N64 T65 I66 E89H58-K62 WeakPolarHBondContact O-CD 3.33Å; H58-K62 PolarHBondContact O-NZ 2.83Å; Y60-K62 PolarHBondContact O-N 3.21Å; K62-N64 PolarHBondContact O-N 3.45Å; K62-T65 WeakPolarHBondContact CB-OG1 3.36Å; K62-T65 PolarHBondContact O-OG1 3.29Å; K62-T65 VanDerWaalsContact O-OG1 3.09Å; K62-I66 VanDerWaalsContact O-CD1 3.29Å; K62-I66 WeakPolarHBondContact O-CD1 3.34Å; K62-I66 WeakPolarHBondContact O-CG1 3.5Å; K62-I66 PolarHBondContact O-N 3.4Å; K62-E89 VanDerWaalsContact C-CD 3.44Å; K62-E89 VanDerWaalsContact CA-OE1 3.29Å; K62-E89 WeakPolarHBondContact CA-OE1 3.19Å; K62-E89 HydrophobicContact CB-CG 4.49Å; K62-E89 HydrophobicContact CG-CG 4.34Å
63Y89.1Confident86.5Confident2 Ų230.1 Ų30.11%0.00816%0.16CC..Hα-helixtrans-75.5-20.6-168.9-57.6-66.2000115.3L51 V55 E61 I66 R67 E89 Q146 L149 T150L51-Y63 HydrophobicContact CD1-CD1 3.95Å; L51-Y63 HydrophobicContact CD1-CE1 3.86Å; V55-Y63 HydrophobicContact CG2-CE1 4.01Å; E61-Y63 VanDerWaalsContact C-N 3.3Å; E61-Y63 HydrophobicContact CB-CE2 4.32Å; E61-Y63 HydrophobicContact CG-CE2 3.86Å; E61-Y63 WeakPolarHBondContact O-CD2 3.35Å; E61-Y63 PolarHBondContact O-N 3.1Å; Y63-I66 HydrophobicContact CD1-CD1 4.16Å; Y63-R67 PolarHBondContact O-N 3.18Å; Y63-R67 VanDerWaalsContact O-N 3.1Å; Y63-E89 PolarHBondContact N-OE2 3.35Å; Y63-E89 VanDerWaalsContact N-OE2 3.14Å; Y63-Q146 HydrophobicContact CD2-CB 4.17Å; Y63-Q146 HydrophobicContact CD2-CG 3.68Å; Y63-Q146 HydrophobicContact CE2-CG 3.85Å; Y63-L149 HydrophobicContact CD1-CB 3.98Å; Y63-L149 HydrophobicContact CD1-CD1 3.91Å; Y63-L149 HydrophobicContact CD2-CB 4.31Å; Y63-L149 HydrophobicContact CD2-CD1 4.27Å; Y63-L149 HydrophobicContact CE1-CB 3.92Å; Y63-L149 HydrophobicContact CE2-CB 4.2Å; Y63-L149 HydrophobicContact CG-CB 4.18Å; Y63-L149 HydrophobicContact CG-CD1 3.68Å; Y63-T150 VanDerWaalsContact CE2-OG1 3.28Å; Y63-T150 WeakPolarHBondContact CE2-OG1 3.38Å; Y63-T150 VanDerWaalsContact OH-CA 3.28Å; Y63-T150 WeakPolarHBondContact OH-CA 3.46Å; Y63-T150 PolarHBondContact OH-N 2.7Å; Y63-T150 PolarHBondContact OH-OG1 3.31Å
64N86.9Confident86.4Confident34 Ų3430 Ų3018%0.18216%0.159CC..Hα-helixtrans-78.8-42.8177.8-59.6-77.8000110.8K62 I66 R67 A68 P81 V86 E89K62-N64 PolarHBondContact O-N 3.45Å; N64-I66 VanDerWaalsContact C-N 3.29Å; N64-I66 PolarHBondContact O-N 3.34Å; N64-R67 PolarHBondContact O-N 2.9Å; N64-R67 VanDerWaalsContact O-N 3.13Å; N64-A68 PolarHBondContact O-N 3.45Å; N64-A68 VanDerWaalsContact O-N 3.14Å; N64-P81 HydrophobicContact CB-CB 4.42Å; N64-P81 WeakPolarHBondContact O-CG 2.79Å; N64-V86 HydrophobicContact CB-CG2 3.94Å; N64-E89 VanDerWaalsContact CB-OE2 3.32Å; N64-E89 WeakPolarHBondContact CB-OE2 3.28Å; N64-E89 PolarHBondContact N-OE1 2.74Å; N64-E89 PolarHBondContact N-OE2 2.87Å; N64-E89 PolarHBondContact ND2-OE2 3.05Å
65T85.9Confident86.1Confident26 Ų2632 Ų3216%0.1617%0.169CC..Hα-helixtrans-62.5-36.5170.947.20000112.1K62 R67 A68 D69 V86 E89K62-T65 WeakPolarHBondContact CB-OG1 3.36Å; K62-T65 PolarHBondContact O-OG1 3.29Å; K62-T65 VanDerWaalsContact O-OG1 3.09Å; T65-R67 VanDerWaalsContact C-N 3.35Å; T65-R67 PolarHBondContact O-N 3.27Å; T65-A68 WeakPolarHBondContact O-CB 3.41Å; T65-A68 PolarHBondContact O-N 3.3Å; T65-A68 VanDerWaalsContact O-N 3.14Å; T65-D69 PolarHBondContact O-N 2.93Å; T65-V86 HydrophobicContact CG2-CG1 3.84Å; T65-E89 WeakPolarHBondContact CB-OE1 3.39Å; T65-E89 WeakPolarHBondContact CG2-OE1 3.24Å; T65-E89 PolarHBondContact N-OE1 3.09Å; T65-E89 PolarHBondContact OG1-OE1 2.98Å
66I89.1Confident85.5Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-60.3-39.9170.8-71166.8000112.3G54 V55 H58 K62 Y63 N64 A68 D69 L72 F74G54-I66 VanDerWaalsContact C-CD1 3.46Å; G54-I66 WeakPolarHBondContact O-CG1 3.48Å; V55-I66 HydrophobicContact CB-CD1 4.4Å; V55-I66 HydrophobicContact CG2-CD1 3.74Å; H58-I66 HydrophobicContact CB-CG1 4.04Å; K62-I66 VanDerWaalsContact O-CD1 3.29Å; K62-I66 WeakPolarHBondContact O-CD1 3.34Å; K62-I66 WeakPolarHBondContact O-CG1 3.5Å; K62-I66 PolarHBondContact O-N 3.4Å; Y63-I66 HydrophobicContact CD1-CD1 4.16Å; N64-I66 VanDerWaalsContact C-N 3.29Å; N64-I66 PolarHBondContact O-N 3.34Å; I66-A68 VanDerWaalsContact C-N 3.27Å; I66-A68 PolarHBondContact O-N 3.49Å; I66-D69 PolarHBondContact O-N 2.94Å; I66-L72 HydrophobicContact CG2-CD1 3.86Å; I66-F74 HydrophobicContact CG2-CD2 3.82Å; I66-F74 HydrophobicContact CG2-CE2 3.66Å
67R86.3Confident85.1Confident37 Ų3743.1 Ų43.114%0.1422%0.218CC..Hα-helixtrans-69.4-23.4175.8-179.5175163.2-157.21.4113.2Y63 N64 T65 F74 V78 G79 K80 P81 W143Y63-R67 PolarHBondContact O-N 3.18Å; Y63-R67 VanDerWaalsContact O-N 3.1Å; N64-R67 PolarHBondContact O-N 2.9Å; N64-R67 VanDerWaalsContact O-N 3.13Å; T65-R67 VanDerWaalsContact C-N 3.35Å; T65-R67 PolarHBondContact O-N 3.27Å; R67-F74 HydrophobicContact CG-CB 4.38Å; R67-V78 PolarHBondContact NH2-O 3.29Å; R67-G79 PolarHBondContact NE-O 3.05Å; R67-G79 PolarHBondContact NH2-O 3Å; R67-K80 PolarHBondContact NH2-O 3.39Å; R67-P81 HydrophobicContact CB-CB 4.41Å; R67-P81 HydrophobicContact CB-CG 4.44Å; R67-P81 HydrophobicContact CG-CB 4.31Å; R67-P81 HydrophobicContact CG-CG 4.48Å; R67-W143 HydrophobicContact CB-CH2 3.94Å; R67-W143 HydrophobicContact CB-CZ2 3.81Å; R67-W143 HydrophobicContact CB-CZ3 4.46Å; R67-W143 HydrophobicContact CG-CD2 4.47Å; R67-W143 HydrophobicContact CG-CE3 4.38Å; R67-W143 HydrophobicContact CG-CH2 4.25Å; R67-W143 HydrophobicContact CG-CZ2 4.34Å; R67-W143 HydrophobicContact CG-CZ3 4.27Å
68A84.9Confident84.7Confident44 Ų4441.7 Ų41.736%0.36421%0.214SC..Hα-helixtrans-81-12.5178.100000114N64 T65 I66 P70 P81N64-A68 PolarHBondContact O-N 3.45Å; N64-A68 VanDerWaalsContact O-N 3.14Å; T65-A68 WeakPolarHBondContact O-CB 3.41Å; T65-A68 PolarHBondContact O-N 3.3Å; T65-A68 VanDerWaalsContact O-N 3.14Å; I66-A68 VanDerWaalsContact C-N 3.27Å; I66-A68 PolarHBondContact O-N 3.49Å; A68-P70 WeakPolarHBondContact O-CD 3Å; A68-P81 HydrophobicContact CB-CG 3.85Å
69D84.4Confident84Confident11 Ų1140.5 Ų40.56%0.05922%0.217CC..  trans-74.3119.6-174.1-167.8-9.3000111.7K57 H58 T65 I66 A71 L72K57-D69 VanDerWaalsContact CD-OD2 3.27Å; K57-D69 WeakPolarHBondContact CD-OD2 3.44Å; K57-D69 VanDerWaalsContact CE-OD2 3.3Å; K57-D69 WeakPolarHBondContact CE-OD2 3.38Å; K57-D69 IonicContact NZ-OD1 2.6Å; K57-D69 PolarHBondContact NZ-OD1 2.82Å; K57-D69 IonicContact NZ-OD2 2.92Å; K57-D69 PolarHBondContact NZ-OD2 3.14Å; H58-D69 IonicContact CD2-OD2 2.71Å; H58-D69 IonicContact CE1-OD2 2.97Å; H58-D69 IonicContact NE2-OD2 2.67Å; H58-D69 PolarHBondContact NE2-OD2 3.17Å; T65-D69 PolarHBondContact O-N 2.93Å; I66-D69 PolarHBondContact O-N 2.94Å; D69-A71 PolarHBondContact O-N 3.29Å; D69-A71 PolarHBondContact OD1-N 2.7Å; D69-A71 VanDerWaalsContact OD1-N 3.16Å; D69-L72 HydrophobicContact CB-CB 4.39Å; D69-L72 HydrophobicContact CB-CD1 3.84Å; D69-L72 HydrophobicContact CB-CG 3.92Å; D69-L72 PolarHBondContact O-N 2.62Å
70P82.1Confident83.3Confident100 Ų10048.3 Ų48.365%0.64925%0.248SC*.THydrogen-bonded Turntrans-66.4-24.517927.8-35.4000113.4A68 L72 L75A68-P70 WeakPolarHBondContact O-CD 3Å; P70-L72 PolarHBondContact O-N 3.21Å; P70-L75 HydrophobicContact CB-CD2 3.94Å
71A84.3Confident82.7Confident7 Ų746 Ų466%0.05824%0.241CC..THydrogen-bonded Turntrans-75.73.3179.200000113.7D22 A23 D69D22-A71 WeakPolarHBondContact OD1-CA 3.48Å; A23-A71 WeakPolarHBondContact CB-O 3.36Å; A23-A71 PolarHBondContact N-O 3.28Å; D69-A71 PolarHBondContact O-N 3.29Å; D69-A71 PolarHBondContact OD1-N 2.7Å; D69-A71 VanDerWaalsContact OD1-N 3.16Å
72L86.5Confident82.1Confident6 Ų647.8 Ų47.83%0.03125%0.253CS..SBendtrans-124.5139.8-176.5-56.5-176.7000110.5A23 I53 I66 D69 P70 F74 L75A23-L72 HydrophobicContact CB-CD2 3.99Å; I53-L72 HydrophobicContact CB-CD2 4.13Å; I53-L72 HydrophobicContact CG2-CD2 3.81Å; I66-L72 HydrophobicContact CG2-CD1 3.86Å; D69-L72 HydrophobicContact CB-CB 4.39Å; D69-L72 HydrophobicContact CB-CD1 3.84Å; D69-L72 HydrophobicContact CB-CG 3.92Å; D69-L72 PolarHBondContact O-N 2.62Å; P70-L72 PolarHBondContact O-N 3.21Å; L72-F74 HydrophobicContact CB-CD2 3.95Å; L72-F74 HydrophobicContact CB-CE2 4.46Å; L72-F74 HydrophobicContact CD1-CD2 4.2Å; L72-F74 HydrophobicContact CD1-CE2 4.29Å; L72-F74 PolarHBondContact O-N 3.36Å; L72-L75 PolarHBondContact O-N 2.81Å
73C84.8Confident81.1Confident21 Ų2152.8 Ų52.814%0.14228%0.277CS..THydrogen-bonded Turntrans-60.5-9.1-175.769.10000115.5S50 R77S50-C73 PolarHBondContact OG-SG 2.93Å; C73-R77 WeakPolarHBondContact O-CB 3.39Å; C73-R77 WeakPolarHBondContact O-CD 3.2Å; C73-R77 VanDerWaalsContact O-CG 3.22Å; C73-R77 WeakPolarHBondContact O-CG 3.32Å; C73-R77 PolarHBondContact O-N 2.96Å
74F86.7Confident80Confident0 Ų061.5 Ų61.50%032%0.315CS..Hα-helixtrans-67.5-36.8-179.5-55.1-48.9000113.4W42 W43 A47 L51 I66 R67 L72 V78 W143W42-F74 HydrophobicContact CH2-CD1 4.09Å; W42-F74 HydrophobicContact CH2-CE1 4.43Å; W43-F74 AromaticContact CH2-CE1 3.59Å; W43-F74 HydrophobicContact CH2-CE1 3.59Å; W43-F74 AromaticContact CH2-CZ 3.84Å; W43-F74 HydrophobicContact CH2-CZ 3.84Å; W43-F74 HydrophobicContact CZ2-CE1 4.34Å; W43-F74 HydrophobicContact CZ2-CZ 4.46Å; W43-F74 AromaticContact CZ3-CE1 3.82Å; W43-F74 HydrophobicContact CZ3-CE1 3.82Å; W43-F74 HydrophobicContact CZ3-CZ 4.49Å; A47-F74 HydrophobicContact CB-CE1 4.05Å; A47-F74 WeakPolarHBondContact O-CZ 3.45Å; L51-F74 HydrophobicContact CB-CZ 4.04Å; I66-F74 HydrophobicContact CG2-CD2 3.82Å; I66-F74 HydrophobicContact CG2-CE2 3.66Å; R67-F74 HydrophobicContact CG-CB 4.38Å; L72-F74 HydrophobicContact CB-CD2 3.95Å; L72-F74 HydrophobicContact CB-CE2 4.46Å; L72-F74 HydrophobicContact CD1-CD2 4.2Å; L72-F74 HydrophobicContact CD1-CE2 4.29Å; L72-F74 PolarHBondContact O-N 3.36Å; F74-V78 WeakPolarHBondContact O-CB 3.17Å; F74-V78 PolarHBondContact O-N 3.24Å; F74-W143 HydrophobicContact CB-CH2 4.09Å; F74-W143 HydrophobicContact CB-CZ3 3.9Å; F74-W143 AromaticContact CD1-CH2 3.85Å; F74-W143 HydrophobicContact CD1-CH2 3.85Å; F74-W143 AromaticContact CD1-CZ3 3.63Å; F74-W143 HydrophobicContact CD1-CZ3 3.63Å; F74-W143 HydrophobicContact CD2-CH2 4.18Å; F74-W143 HydrophobicContact CE1-CH2 4.29Å; F74-W143 HydrophobicContact CE1-CZ3 4.3Å; F74-W143 AromaticContact CG-CH2 3.77Å; F74-W143 HydrophobicContact CG-CH2 3.77Å; F74-W143 AromaticContact CG-CZ3 3.83Å; F74-W143 HydrophobicContact CG-CZ3 3.83Å
75L82.1Confident79.1Confident41 Ų4161.5 Ų61.522%0.21532%0.32CS..Hα-helixtrans-69-42.6-175.8-177.364.5000111.5P70 L72 G79 K80P70-L75 HydrophobicContact CB-CD2 3.94Å; L72-L75 PolarHBondContact O-N 2.81Å; L75-G79 WeakPolarHBondContact O-CA 3.37Å; L75-G79 PolarHBondContact O-N 2.92Å; L75-K80 HydrophobicContact CD1-CB 4.38Å; L75-K80 HydrophobicContact CD1-CG 3.62Å
76E77.8Confident78.4Confident172 Ų17261.4 Ų61.480%0.80432%0.319SS*.Hα-helixtrans-67.6-48.6177-176.2-176.1-155.400111.6
77R78.9Confident77.4Confident80 Ų8063.8 Ų63.830%0.30234%0.339SS..Hα-helixtrans-78.8-27.9-171.8-65.2172.4176.1-164.5-1.6114.6D44 C73 V141D44-R77 IonicContact OD1-CZ 3.21Å; D44-R77 IonicContact OD1-NH1 2.65Å; D44-R77 PolarHBondContact OD1-NH1 2.98Å; D44-R77 IonicContact OD1-NH2 3.16Å; D44-R77 IonicContact OD2-CZ 3.6Å; D44-R77 VanDerWaalsContact OD2-CZ 3.27Å; D44-R77 IonicContact OD2-NH1 3.22Å; D44-R77 PolarHBondContact OD2-NH1 3.19Å; D44-R77 IonicContact OD2-NH2 3.95Å; D44-R77 PolarHBondContact OD2-NH2 3.06Å; C73-R77 WeakPolarHBondContact O-CB 3.39Å; C73-R77 WeakPolarHBondContact O-CD 3.2Å; C73-R77 VanDerWaalsContact O-CG 3.22Å; C73-R77 WeakPolarHBondContact O-CG 3.32Å; C73-R77 PolarHBondContact O-N 2.96Å; R77-V141 WeakPolarHBondContact O-CB 3.26Å
78V77.4Confident76.6Confident18 Ų1864.9 Ų64.911%0.10936%0.356CS..Hα-helixtrans-127.2-2.7-170.8-166.70000112.6W42 R67 F74 V141 W143W42-V78 HydrophobicContact CH2-CG2 3.63Å; W42-V78 HydrophobicContact CZ2-CG2 3.58Å; W42-V78 HydrophobicContact CZ3-CG2 4.25Å; R67-V78 PolarHBondContact NH2-O 3.29Å; F74-V78 WeakPolarHBondContact O-CB 3.17Å; F74-V78 PolarHBondContact O-N 3.24Å; V78-V141 VanDerWaalsContact CG1-O 3.3Å; V78-V141 WeakPolarHBondContact CG1-O 3.3Å; V78-V141 HydrophobicContact CG2-CB 4.45Å; V78-V141 HydrophobicContact CG2-CG1 3.95Å; V78-W143 HydrophobicContact CB-CE3 4.23Å; V78-W143 HydrophobicContact CG1-CB 3.9Å; V78-W143 HydrophobicContact CG1-CE3 3.95Å; V78-W143 HydrophobicContact CG2-CE3 4.14Å; V78-W143 HydrophobicContact CG2-CZ3 4.48Å
79G70.6Confident76Confident31 Ų3163.7 Ų63.732%0.3234%0.343SS..  trans68.6172.1-178.700000113.8R67 L75R67-G79 PolarHBondContact NE-O 3.05Å; R67-G79 PolarHBondContact NH2-O 3Å; L75-G79 WeakPolarHBondContact O-CA 3.37Å; L75-G79 PolarHBondContact O-N 2.92Å
80K71.5Confident75.1Confident172 Ų17268.3 Ų68.375%0.74836%0.364SS*.PPolyproline II helixtrans-55.4141.7-179.4-72.5179.9177.1-176.30112.1R67 L75R67-K80 PolarHBondContact NH2-O 3.39Å; L75-K80 HydrophobicContact CD1-CB 4.38Å; L75-K80 HydrophobicContact CD1-CG 3.62Å
81P74.2Confident74.1Confident12 Ų1273.1 Ų73.18%0.07837%0.369CS..PPolyproline II helixtrans-71.3159.7169.233.4-35.9000111N64 R67 A68 E83 V86N64-P81 HydrophobicContact CB-CB 4.42Å; N64-P81 WeakPolarHBondContact O-CG 2.79Å; R67-P81 HydrophobicContact CB-CB 4.41Å; R67-P81 HydrophobicContact CB-CG 4.44Å; R67-P81 HydrophobicContact CG-CB 4.31Å; R67-P81 HydrophobicContact CG-CG 4.48Å; A68-P81 HydrophobicContact CB-CG 3.85Å; P81-E83 PolarHBondContact O-N 3.39Å; P81-V86 HydrophobicContact CB-CG2 4.2Å; P81-V86 HydrophobicContact CG-CG2 3.79Å
82D73.4Confident72.9Confident121 Ų12176.4 Ų76.465%0.64740%0.396SS*.PPolyproline II helixtrans-64.6126.5174.3-59.7-47.4000110.5K84 A85 V86D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 VanDerWaalsContact O-N 3.1Å; D82-A85 HydrophobicContact CB-CB 4.23Å; D82-A85 WeakPolarHBondContact O-CA 3.19Å; D82-A85 WeakPolarHBondContact O-CB 3.46Å; D82-A85 PolarHBondContact O-N 3.47Å; D82-V86 PolarHBondContact O-N 3.1Å; D82-V86 VanDerWaalsContact O-N 3.17Å
83E66.9Low71.2Confident174 Ų17480.1 Ų80.181%0.81342%0.416SS*.Hα-helixtrans-55.3-33.9-179.9-61.7177.1162.300112.1P81 A85 V86 A87P81-E83 PolarHBondContact O-N 3.39Å; E83-A85 VanDerWaalsContact C-N 3.34Å; E83-A85 PolarHBondContact O-N 3.34Å; E83-V86 PolarHBondContact O-N 2.98Å; E83-A87 WeakPolarHBondContact O-CB 2.93Å; E83-A87 PolarHBondContact O-N 3.4Å
84K65.3Low69.7Low185 Ų18584.8 Ų84.880%0.80444%0.44SS*.Hα-helixtrans-66.4-31.8175.7-63.8178.7-178.4175.10113.1D82 A88D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 VanDerWaalsContact O-N 3.1Å; K84-A88 WeakPolarHBondContact O-CB 3.33Å; K84-A88 PolarHBondContact O-N 3.49Å; K84-A88 VanDerWaalsContact O-N 3.14Å
85A68.3Low67.9Low33 Ų3394.7 Ų94.727%0.27348%0.479SS..Hα-helixtrans-75.7-39.2175.700000111.2D82 E83 A88 E89D82-A85 HydrophobicContact CB-CB 4.23Å; D82-A85 WeakPolarHBondContact O-CA 3.19Å; D82-A85 WeakPolarHBondContact O-CB 3.46Å; D82-A85 PolarHBondContact O-N 3.47Å; E83-A85 VanDerWaalsContact C-N 3.34Å; E83-A85 PolarHBondContact O-N 3.34Å; A85-A88 PolarHBondContact O-N 3.44Å; A85-E89 WeakPolarHBondContact O-CB 3.28Å; A85-E89 PolarHBondContact O-N 3.33Å
86V70.4Confident66.2Low24 Ų24100.6 Ų100.615%0.14551%0.507CS..Hα-helixtrans-62.4-45173177.70000111.1N64 T65 P81 D82 E83 A88 E89 Q90N64-V86 HydrophobicContact CB-CG2 3.94Å; T65-V86 HydrophobicContact CG2-CG1 3.84Å; P81-V86 HydrophobicContact CB-CG2 4.2Å; P81-V86 HydrophobicContact CG-CG2 3.79Å; D82-V86 PolarHBondContact O-N 3.1Å; D82-V86 VanDerWaalsContact O-N 3.17Å; E83-V86 PolarHBondContact O-N 2.98Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 3.1Å; V86-E89 WeakPolarHBondContact O-CB 3.3Å; V86-E89 PolarHBondContact O-N 3.15Å; V86-Q90 WeakPolarHBondContact O-CG 3.46Å; V86-Q90 PolarHBondContact O-N 3.35Å
87A69.3Low64.7Low50 Ų50100 Ų10041%0.41351%0.509SS..Hα-helixtrans-64-34.5176.600000113E83 R91E83-A87 WeakPolarHBondContact O-CB 2.93Å; E83-A87 PolarHBondContact O-N 3.4Å; A87-R91 WeakPolarHBondContact O-CB 3.38Å; A87-R91 PolarHBondContact O-N 3.14Å
88A69.6Low62.8Low60 Ų6099.6 Ų99.650%0.49653%0.53SS..Hα-helixtrans-69.8-37.2173.900000112.5K84 A85 V86 A92K84-A88 WeakPolarHBondContact O-CB 3.33Å; K84-A88 PolarHBondContact O-N 3.49Å; K84-A88 VanDerWaalsContact O-N 3.14Å; A85-A88 PolarHBondContact O-N 3.44Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 3.1Å; A88-A92 PolarHBondContact O-N 3.05Å
89E71.4Confident61.3Low19 Ų19106.8 Ų106.89%0.08957%0.568CS.*Hα-helixtrans-65.6-37.2175-177.1173.1106.800112K62 Y63 N64 T65 A85 V86 N93K62-E89 VanDerWaalsContact C-CD 3.44Å; K62-E89 VanDerWaalsContact CA-OE1 3.29Å; K62-E89 WeakPolarHBondContact CA-OE1 3.19Å; K62-E89 HydrophobicContact CB-CG 4.49Å; K62-E89 HydrophobicContact CG-CG 4.34Å; Y63-E89 PolarHBondContact N-OE2 3.35Å; Y63-E89 VanDerWaalsContact N-OE2 3.14Å; N64-E89 VanDerWaalsContact CB-OE2 3.32Å; N64-E89 WeakPolarHBondContact CB-OE2 3.28Å; N64-E89 PolarHBondContact N-OE1 2.74Å; N64-E89 PolarHBondContact N-OE2 2.87Å; N64-E89 PolarHBondContact ND2-OE2 3.05Å; T65-E89 WeakPolarHBondContact CB-OE1 3.39Å; T65-E89 WeakPolarHBondContact CG2-OE1 3.24Å; T65-E89 PolarHBondContact N-OE1 3.09Å; T65-E89 PolarHBondContact OG1-OE1 2.98Å; A85-E89 WeakPolarHBondContact O-CB 3.28Å; A85-E89 PolarHBondContact O-N 3.33Å; V86-E89 WeakPolarHBondContact O-CB 3.3Å; V86-E89 PolarHBondContact O-N 3.15Å; E89-N93 PolarHBondContact O-ND2 2.87Å
90Q65.6Low60Low108 Ų108111.8 Ų111.851%0.50559%0.592SS.*Hα-helixtrans-66.3-54.5172.5-71.3169.5-13.600111.3V86 A92 N93V86-Q90 WeakPolarHBondContact O-CG 3.46Å; V86-Q90 PolarHBondContact O-N 3.35Å; Q90-A92 PolarHBondContact O-N 2.83Å; Q90-N93 WeakPolarHBondContact O-CB 3.4Å; Q90-N93 PolarHBondContact O-N 2.99Å
91R61.7Low58.6Low202 Ų202112.6 Ų112.676%0.76260%0.598SS**Hα-helixtrans-57.8-20.1-177.8-158.3-177-158.684.40.1114.7A87 D94A87-R91 WeakPolarHBondContact O-CB 3.38Å; A87-R91 PolarHBondContact O-N 3.14Å; R91-D94 WeakPolarHBondContact CA-OD2 3.35Å
92A58.3Low57.6Low75 Ų75118.8 Ų118.862%0.6263%0.631SS**THydrogen-bonded Turntrans-79.7-15.3175.300000114.2A88 Q90A88-A92 PolarHBondContact O-N 3.05Å; Q90-A92 PolarHBondContact O-N 2.83Å
93N52.1Low56.5Low84 Ų84118.7 Ų118.745%0.44964%0.637SS.*THydrogen-bonded Turntrans-91.6-33.1177.1-72.8-94.9000112.2E89 Q90 Y95 M96E89-N93 PolarHBondContact O-ND2 2.87Å; Q90-N93 WeakPolarHBondContact O-CB 3.4Å; Q90-N93 PolarHBondContact O-N 2.99Å; N93-Y95 PolarHBondContact O-N 3.12Å; N93-M96 PolarHBondContact O-N 3.5Å
94D52.6Low55Low120 Ų120116.5 Ų116.564%0.64263%0.627SS**THydrogen-bonded Turntrans-64.40.2-172.7-50.1-27.4000115.5R91R91-D94 WeakPolarHBondContact CA-OD2 3.35Å
95Y48.9Very low54Low208 Ų208117.3 Ų117.382%0.81663%0.626SS**THydrogen-bonded Turntrans-97.1-2.1-177.3-155.4-93000113.8N93N93-Y95 PolarHBondContact O-N 3.12Å
96M45.9Very low52.5Low165 Ų165122.9 Ų122.981%0.81364%0.644SS**SBendtrans-125.49.2-168.6-58-63.1-62.100114.6N93N93-M96 PolarHBondContact O-N 3.5Å
97D45.8Very low50.8Low158 Ų158126 Ų12685%0.84567%0.665SS**  trans-129.799.7175.7-166.325.7000108.7
98G39.1Very low49.1Very low72 Ų72128 Ų12874%0.74268%0.681SS**  trans178.849.8-163.600000113.2V100G98-V100 PolarHBondContact O-N 3.36Å
99D45.4Very low47.5Very low170 Ų170130.8 Ų130.891%0.90969%0.694SS**  trans-87.798.2179.4-14715.9000109.4
100V44.5Very low45.9Very low136 Ų136134.3 Ų134.382%0.82473%0.727SS**  trans-140.6141.3177.5178.80000108.8G98G98-V100 PolarHBondContact O-N 3.36Å
101E41.4Very low44.6Very low189 Ų189136.1 Ų136.188%0.88374%0.738SS**  trans-67.4146.5-170.8-60.2179.8114.300114.6
102D52.6Low43.1Very low141 Ų141135 Ų13575%0.75474%0.739SS**  trans-71.7134.6174.8-178.241.7000110.6E104D102-E104 PolarHBondContact OD1-N 2.88Å
103P51.2Low42.5Very low120 Ų120141.1 Ų141.178%0.77975%0.752SS**  -145.1128.297.635-18.3000115.3
104E35.7Very low41.7Very low128 Ų128143.7 Ų143.760%0.59877%0.766SS**  trans144.191.9133.3-166.9-173.7-171.900112.7D102 K106D102-E104 PolarHBondContact OD1-N 2.88Å; E104-K106 PolarHBondContact O-N 3.11Å; E104-K106 WeakPolarHBondContact OE1-CE 3.1Å; E104-K106 IonicContact OE1-NZ 2.68Å; E104-K106 PolarHBondContact OE1-NZ 3.14Å; E104-K106 WeakPolarHBondContact OE2-CE 3.33Å; E104-K106 IonicContact OE2-NZ 3.13Å; E104-K106 PolarHBondContact OE2-NZ 3.31Å
105Y44.7Very low40.8Very low201 Ų201145.4 Ų145.479%0.78878%0.775SS**  trans-59.5104.7173.2175.9-97.3000112.9P107Y105-P107 HydrophobicContact CE1-CB 4.25Å; Y105-P107 HydrophobicContact CE1-CG 3.95Å
106K36.5Very low40.5Very low151 Ų151142.8 Ų142.866%0.65777%0.773SS**  trans-113.3102.2170.2-83.3167.4173.5149.60110.8E104E104-K106 PolarHBondContact O-N 3.11Å; E104-K106 WeakPolarHBondContact OE1-CE 3.1Å; E104-K106 IonicContact OE1-NZ 2.68Å; E104-K106 PolarHBondContact OE1-NZ 3.14Å; E104-K106 WeakPolarHBondContact OE2-CE 3.33Å; E104-K106 IonicContact OE2-NZ 3.13Å; E104-K106 PolarHBondContact OE2-NZ 3.31Å
107P34.7Very low40.1Very low89 Ų89143.1 Ų143.158%0.57877%0.773SS**PPolyproline II helixtrans-70.1137.5174.329.3-32.7000110.3Y105Y105-P107 HydrophobicContact CE1-CB 4.25Å; Y105-P107 HydrophobicContact CE1-CG 3.95Å
108A34.3Very low39.6Very low91 Ų91143 Ų14375%0.75277%0.773SS**PPolyproline II helixtrans-64.4142.4-175.300000112.6A110A108-A110 PolarHBondContact O-N 3.01Å
109P35.1Very low39.2Very low119 Ų119147 Ų14777%0.77378%0.777SS**PPolyproline II helixtrans-65120.2173.2-19.532.2000111.5I111P109-I111 PolarHBondContact O-N 2.88Å
110A38.1Very low38.7Very low94 Ų94145.2 Ų145.278%0.77777%0.772SS**PPolyproline II helixtrans-76.5119.1166.600000109.3A108A108-A110 PolarHBondContact O-N 3.01Å
111I37.1Very low38.4Very low145 Ų145144 Ų14474%0.74477%0.769SS**  trans-115104.9172.5-69-178.3000108.8P109P109-I111 PolarHBondContact O-N 2.88Å
112F32Very low38.1Very low179 Ų179140.1 Ų140.179%0.78576%0.763SS**  trans22.2119.5149-54.6-78.9000118.6
113K45.3Very low37.7Very low204 Ų204138.9 Ų138.989%0.88776%0.763SS**  trans-123.176.4164.9-173.7-175.4173.7171.30109.2
114D35.3Very low36.7Very low137 Ų137136.9 Ų136.973%0.73376%0.764SS**  trans-141106.7170.2-71-67.8000107.6
115D33.8Very low36.3Very low157 Ų157137.4 Ų137.484%0.8477%0.771SS**  trans168.6125.6140.3-91.4-19.3000110.7
116I42.2Very low35.8Very low152 Ų152131.9 Ų131.978%0.77976%0.755SS**  trans62.8142.9157.4-89.9157000119.4
117E36.5Very low35.6Very low172 Ų172130 Ų13080%0.80476%0.756SS**  cis-160.4-175.1-42.5-124.3167.1-159.600109
118D36.8Very low35.6Very low157 Ų157132.3 Ų132.384%0.8476%0.762SS**  trans-53141.4-171.3-66.8-50.1000116.8
119D30Very low35.5Very low155 Ų155132.3 Ų132.383%0.82976%0.762SS**  -152.4173.7126.8-142.3-18.5000113.4
120V35.4Very low35.4Very low132 Ų132134.8 Ų134.880%0.877%0.768SS**  trans-65171.6-152.5155.30000120
121S37.7Very low35Very low111 Ų111133.3 Ų133.378%0.77676%0.763SS**  trans-73.7152.1-167.6-57.40000118.9
122S35.9Very low34.5Very low108 Ų108134.3 Ų134.376%0.75577%0.769SS**  trans-31.5159.7145.7-171.80000117.2
123P43.4Very low34.7Very low115 Ų115129.4 Ų129.475%0.74777%0.77SS**  cis-141.7142.2-22.332.1-11.5000117.9
124G30.1Very low34Very low78 Ų78129 Ų12980%0.80477%0.77SS**  trans73.3146.3145.200000121.8
125D27.4Very low34.1Very low139 Ų139129.9 Ų129.974%0.74378%0.775SS**  trans-160142.1163.5-174.229.2000113.5P800D125-P800 WeakPolarHBondContact O-CD 3.43Å; D125-P800 WeakPolarHBondContact O-CG 3.49Å
126L34.2Very low34.4Very low85 Ų85130.7 Ų130.745%0.44578%0.775SS.*  trans-77.4140.5-160.4-113.7176.4000116.5I128 T798 K799 P800L126-I128 HydrophobicContact CD2-CG1 4.42Å; L126-T798 HydrophobicContact CD1-CG2 3.81Å; L126-T798 HydrophobicContact CG-CG2 4.05Å; L126-K799 WeakPolarHBondContact CD2-O 3.34Å; L126-K799 WeakPolarHBondContact CG-O 3.49Å; L126-P800 VanDerWaalsContact CA-CG 3.43Å
127V32.4Very low34.1Very low112 Ų112132.3 Ų132.368%0.67978%0.78SS**  trans-133.2126.1160.6-176.70000110.5P800V127-P800 VanDerWaalsContact N-CG 3.3Å
128I34.8Very low34Very low137 Ų137127.1 Ų127.170%0.70377%0.772SS**  trans-113.8137.6164.6-64.8168.7000106.1L126L126-I128 HydrophobicContact CD2-CG1 4.42Å
129A31.3Very low34.2Very low91 Ų91127.4 Ų127.475%0.75277%0.773SS**  trans-113.9113.6164.500000108.2
130D33.5Very low35.3Very low170 Ų170129.1 Ų129.191%0.90977%0.774SS**  trans-70.6125.8162.9-89.7-43.2000108.1
131G30.5Very low36.8Very low64 Ų64125.3 Ų125.366%0.6675%0.751SS**  trans-145.2133-178.200000109.6
132D26.8Very low38.9Very low165 Ų165127.6 Ų127.688%0.88274%0.743SS**PPolyproline II helixtrans-46.2138.1-174.645.6-41.8000115.8
133G35.9Very low41.3Very low77 Ų77124 Ų12479%0.79471%0.713SS**PPolyproline II helixtrans-76.5130.9-16800000115
134Q30.1Very low43.4Very low194 Ų194118.7 Ų118.791%0.90768%0.679SS**PPolyproline II helixtrans-94.4128.4153.1-132.389.979.700108.8
135L37.8Very low46.1Very low157 Ų157118.2 Ų118.282%0.82266%0.66SS**PPolyproline II helixtrans-88.3148.9168.3-81.6167.3000110.2
136M40.2Very low48.9Very low173 Ų173116.4 Ų116.485%0.85265%0.647SS**  trans70.1115.2170.1-36.4-54.7-81.600116.8
137E36.1Very low51.4Low187 Ų187116.3 Ų116.387%0.87465%0.654SS**  -161.4108.3115.2-168.9165.8-131.400112.4
138G34.3Very low54.1Low62 Ų62112.3 Ų112.364%0.63963%0.632SS**  trans79.3126.5158.100000118.3K140G138-K140 VanDerWaalsContact C-N 3.33Å; G138-K140 PolarHBondContact O-N 3.03Å
139D41.2Very low56.7Low163 Ų163105.8 Ų105.887%0.87260%0.599SS**  trans-65.587.4163.7-71.5-59000110.3V141D139-V141 PolarHBondContact O-N 2.69Å
140K51.8Low59.6Low192 Ų192102.1 Ų102.184%0.83557%0.567SS**  trans-76.477.8175.8-74.2-171178176.30111.3G138 Y142G138-K140 VanDerWaalsContact C-N 3.33Å; G138-K140 PolarHBondContact O-N 3.03Å; K140-Y142 PolarHBondContact O-N 2.76Å
141V68.3Low62.2Low52 Ų5297 Ų9732%0.31554%0.542SS..  trans-34.6116.8165.2179.30000110.6W42 R77 V78 D139W42-V141 HydrophobicContact CB-CG1 4.09Å; W42-V141 HydrophobicContact CD2-CG1 3.56Å; W42-V141 HydrophobicContact CE3-CG1 4.4Å; W42-V141 HydrophobicContact CG-CG1 3.38Å; W42-V141 HydrophobicContact CZ2-CG1 4.32Å; W42-V141 VanDerWaalsContact NE1-CG1 3.27Å; R77-V141 WeakPolarHBondContact O-CB 3.26Å; V78-V141 VanDerWaalsContact CG1-O 3.3Å; V78-V141 WeakPolarHBondContact CG1-O 3.3Å; V78-V141 HydrophobicContact CG2-CB 4.45Å; V78-V141 HydrophobicContact CG2-CG1 3.95Å; D139-V141 PolarHBondContact O-N 2.69Å
142Y80.3Confident65.1Low159 Ų15994.5 Ų94.562%0.62451%0.513SS*.PPolyproline II helixtrans-72.2131.4-173.3175.8-105000112.4W42 K140W42-Y142 PolarHBondContact NE1-O 3.2Å; K140-Y142 PolarHBondContact O-N 2.76Å
143W86.6Confident68.2Low33 Ų3386.6 Ų86.613%0.12547%0.471CS..PPolyproline II helixtrans-76.7123.4175.4-175.1-115.9000111.7W42 R67 F74 V78 L149W42-W143 HydrophobicContact CH2-CE3 4.47Å; W42-W143 HydrophobicContact CH2-CZ3 4.2Å; W42-W143 HydrophobicContact CZ2-CE3 4.24Å; W42-W143 HydrophobicContact CZ2-CZ3 4.41Å; R67-W143 HydrophobicContact CB-CH2 3.94Å; R67-W143 HydrophobicContact CB-CZ2 3.81Å; R67-W143 HydrophobicContact CB-CZ3 4.46Å; R67-W143 HydrophobicContact CG-CD2 4.47Å; R67-W143 HydrophobicContact CG-CE3 4.38Å; R67-W143 HydrophobicContact CG-CH2 4.25Å; R67-W143 HydrophobicContact CG-CZ2 4.34Å; R67-W143 HydrophobicContact CG-CZ3 4.27Å; F74-W143 HydrophobicContact CB-CH2 4.09Å; F74-W143 HydrophobicContact CB-CZ3 3.9Å; F74-W143 AromaticContact CD1-CH2 3.85Å; F74-W143 HydrophobicContact CD1-CH2 3.85Å; F74-W143 AromaticContact CD1-CZ3 3.63Å; F74-W143 HydrophobicContact CD1-CZ3 3.63Å; F74-W143 HydrophobicContact CD2-CH2 4.18Å; F74-W143 HydrophobicContact CE1-CH2 4.29Å; F74-W143 HydrophobicContact CE1-CZ3 4.3Å; F74-W143 AromaticContact CG-CH2 3.77Å; F74-W143 HydrophobicContact CG-CH2 3.77Å; F74-W143 AromaticContact CG-CZ3 3.83Å; F74-W143 HydrophobicContact CG-CZ3 3.83Å; V78-W143 HydrophobicContact CB-CE3 4.23Å; V78-W143 HydrophobicContact CG1-CB 3.9Å; V78-W143 HydrophobicContact CG1-CE3 3.95Å; V78-W143 HydrophobicContact CG2-CE3 4.14Å; V78-W143 HydrophobicContact CG2-CZ3 4.48Å; W143-L149 HydrophobicContact CH2-CD1 4.46Å; W143-L149 HydrophobicContact CZ2-CD1 3.67Å
144P87.6Confident70.7Confident3 Ų389.1 Ų89.12%0.01946%0.456CS..PPolyproline II helixtrans-62.2151.8-179.4-20.830.3000113.5P39 A40 W42 W43 A148 L149P39-P144 HydrophobicContact CB-CB 3.67Å; P39-P144 HydrophobicContact CB-CG 3.64Å; A40-P144 HydrophobicContact CB-CG 4Å; W42-P144 HydrophobicContact CZ2-CG 4.32Å; W43-P144 HydrophobicContact CE3-CG 3.93Å; W43-P144 HydrophobicContact CZ3-CG 4Å; P144-A148 HydrophobicContact CB-CB 4.33Å; P144-L149 HydrophobicContact CB-CD2 3.9Å; P144-L149 HydrophobicContact CB-CG 4.12Å; P144-L149 HydrophobicContact CG-CD2 4.11Å
145T87.3Confident73.5Confident68 Ų6884.2 Ų84.242%0.41743%0.429SS..PPolyproline II helixtrans-66.4149.317759.20000112.1S147 A148 L149T145-S147 PolarHBondContact O-N 2.83Å; T145-S147 VanDerWaalsContact O-N 3.08Å; T145-S147 PolarHBondContact OG1-OG 3.41Å; T145-A148 WeakPolarHBondContact O-CA 3.46Å; T145-A148 WeakPolarHBondContact O-CB 3.48Å; T145-A148 PolarHBondContact O-N 3.16Å; T145-A148 PolarHBondContact OG1-N 3.46Å; T145-L149 PolarHBondContact O-N 3.04Å
146Q85.9Confident75.9Confident101 Ų10176.8 Ų76.847%0.47239%0.39SS..Hα-helixtrans-51.4-33.7177173.4159.74000113.2E61 Y63 T150E61-Q146 PolarHBondContact O-NE2 3.33Å; Y63-Q146 HydrophobicContact CD2-CB 4.17Å; Y63-Q146 HydrophobicContact CD2-CG 3.68Å; Y63-Q146 HydrophobicContact CE2-CG 3.85Å; Q146-T150 VanDerWaalsContact O-CB 3.29Å; Q146-T150 WeakPolarHBondContact O-CB 3.24Å; Q146-T150 PolarHBondContact O-N 2.92Å; Q146-T150 PolarHBondContact O-OG1 2.79Å; Q146-T150 VanDerWaalsContact O-OG1 3.05Å
147S86.9Confident78.2Confident82 Ų8269.1 Ų69.157%0.57335%0.353SS*.Hα-helixtrans-73.8-34.117554.40000113.7T145 T151T145-S147 PolarHBondContact O-N 2.83Å; T145-S147 VanDerWaalsContact O-N 3.08Å; T145-S147 PolarHBondContact OG1-OG 3.41Å; S147-T151 WeakPolarHBondContact O-CB 3.34Å; S147-T151 PolarHBondContact O-N 3.5Å; S147-T151 PolarHBondContact O-OG1 3.1Å
148A88.9Confident80.6Confident28 Ų2862.9 Ų62.923%0.23133%0.328CS..Hα-helixtrans-67.3-47.2172.800000111.2P39 P144 T145 T151 R152P39-A148 HydrophobicContact CB-CB 4.42Å; P144-A148 HydrophobicContact CB-CB 4.33Å; T145-A148 WeakPolarHBondContact O-CA 3.46Å; T145-A148 WeakPolarHBondContact O-CB 3.48Å; T145-A148 PolarHBondContact O-N 3.16Å; T145-A148 PolarHBondContact OG1-N 3.46Å; A148-T151 WeakPolarHBondContact O-CB 3.16Å; A148-T151 PolarHBondContact O-N 3.29Å; A148-T151 VanDerWaalsContact O-N 3.1Å; A148-R152 PolarHBondContact O-N 2.98Å
149L90.3Very high83Confident0 Ų060.7 Ų60.70%030%0.303CS..Hα-helixtrans-58.6-48.7175.2-62.4176.5000111.5W43 Y63 W143 P144 T145 T151 R152 L153W43-L149 HydrophobicContact CE3-CD2 4.49Å; W43-L149 HydrophobicContact CH2-CD2 3.43Å; W43-L149 VanDerWaalsContact CH2-CD2 3.43Å; W43-L149 HydrophobicContact CZ2-CD2 4.36Å; W43-L149 HydrophobicContact CZ3-CD2 3.5Å; Y63-L149 HydrophobicContact CD1-CB 3.98Å; Y63-L149 HydrophobicContact CD1-CD1 3.91Å; Y63-L149 HydrophobicContact CD2-CB 4.31Å; Y63-L149 HydrophobicContact CD2-CD1 4.27Å; Y63-L149 HydrophobicContact CE1-CB 3.92Å; Y63-L149 HydrophobicContact CE2-CB 4.2Å; Y63-L149 HydrophobicContact CG-CB 4.18Å; Y63-L149 HydrophobicContact CG-CD1 3.68Å; W143-L149 HydrophobicContact CH2-CD1 4.46Å; W143-L149 HydrophobicContact CZ2-CD1 3.67Å; P144-L149 HydrophobicContact CB-CD2 3.9Å; P144-L149 HydrophobicContact CB-CG 4.12Å; P144-L149 HydrophobicContact CG-CD2 4.11Å; T145-L149 PolarHBondContact O-N 3.04Å; L149-T151 VanDerWaalsContact C-N 3.26Å; L149-T151 PolarHBondContact O-N 3.15Å; L149-R152 PolarHBondContact O-N 2.96Å; L149-L153 WeakPolarHBondContact O-CB 3.46Å; L149-L153 PolarHBondContact O-N 2.74Å
150T90.7Very high85.1Confident15 Ų1553.2 Ų53.29%0.09226%0.263CS..Hα-helixtrans-57.9-36.6173.9-72.20000112.6Y60 Y63 Q146 R154Y60-T150 VanDerWaalsContact OH-CG2 3.28Å; Y60-T150 WeakPolarHBondContact OH-CG2 3.27Å; Y63-T150 VanDerWaalsContact CE2-OG1 3.28Å; Y63-T150 WeakPolarHBondContact CE2-OG1 3.38Å; Y63-T150 VanDerWaalsContact OH-CA 3.28Å; Y63-T150 WeakPolarHBondContact OH-CA 3.46Å; Y63-T150 PolarHBondContact OH-N 2.7Å; Y63-T150 PolarHBondContact OH-OG1 3.31Å; Q146-T150 VanDerWaalsContact O-CB 3.29Å; Q146-T150 WeakPolarHBondContact O-CB 3.24Å; Q146-T150 PolarHBondContact O-N 2.92Å; Q146-T150 PolarHBondContact O-OG1 2.79Å; Q146-T150 VanDerWaalsContact O-OG1 3.05Å; T150-R154 VanDerWaalsContact CG2-NE 3.3Å; T150-R154 WeakPolarHBondContact O-CB 3.32Å; T150-R154 WeakPolarHBondContact O-CD 3.25Å; T150-R154 WeakPolarHBondContact O-CG 3.37Å; T150-R154 PolarHBondContact O-N 3.06Å; T150-R154 VanDerWaalsContact O-N 3.11Å
151T90Very high86.6Confident62 Ų6247.6 Ų47.638%0.3824%0.24SC..Hα-helixtrans-71.3-43.1178.1-58.90000111.7S147 A148 L149 R154 R155S147-T151 WeakPolarHBondContact O-CB 3.34Å; S147-T151 PolarHBondContact O-N 3.5Å; S147-T151 PolarHBondContact O-OG1 3.1Å; A148-T151 WeakPolarHBondContact O-CB 3.16Å; A148-T151 PolarHBondContact O-N 3.29Å; A148-T151 VanDerWaalsContact O-N 3.1Å; L149-T151 VanDerWaalsContact C-N 3.26Å; L149-T151 PolarHBondContact O-N 3.15Å; T151-R154 PolarHBondContact O-N 3.02Å; T151-R155 WeakPolarHBondContact O-CG 3.36Å; T151-R155 PolarHBondContact O-N 3.28Å; T151-R155 VanDerWaalsContact O-N 3.08Å
152R90.4Very high87.1Confident11 Ų1152.6 Ų52.64%0.04225%0.253CS..Hα-helixtrans-63.4-48.8176-172.264.5170.8-160.1-0111.4P33 E37 P39 D48 L51 A148 L149 R154 R155 L156P33-R152 VanDerWaalsContact CG-NH2 3.35Å; E37-R152 PolarHBondContact O-NH1 3.06Å; P39-R152 HydrophobicContact CG-CB 3.69Å; P39-R152 HydrophobicContact CG-CG 3.75Å; D48-R152 WeakPolarHBondContact OD1-CG 3.46Å; D48-R152 IonicContact OD1-CZ 2.62Å; D48-R152 IonicContact OD1-NE 3.34Å; D48-R152 PolarHBondContact OD1-NE 3.35Å; D48-R152 IonicContact OD1-NH2 3.82Å; D48-R152 IonicContact OD2-CZ 2.69Å; D48-R152 IonicContact OD2-NE 3.21Å; D48-R152 PolarHBondContact OD2-NE 3.4Å; D48-R152 IonicContact OD2-NH2 3.54Å; D48-R152 PolarHBondContact OD2-NH2 2.73Å; L51-R152 HydrophobicContact CD2-CB 4.41Å; L51-R152 HydrophobicContact CD2-CG 4.42Å; A148-R152 PolarHBondContact O-N 2.98Å; L149-R152 PolarHBondContact O-N 2.96Å; R152-R154 VanDerWaalsContact C-N 3.34Å; R152-R154 PolarHBondContact O-N 3.45Å; R152-R155 CarbonylContact O-C 3.52Å; R152-R155 WeakPolarHBondContact O-CA 3.45Å; R152-R155 WeakPolarHBondContact O-CB 3.41Å; R152-R155 PolarHBondContact O-N 3.46Å; R152-L156 HydrophobicContact CG-CD1 4.29Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 2.89Å
153L90.9Very high87Confident0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-53.6-47.6174.7176.966.8000112.3M1 L51 L52 V55 Y60 L149 R155 L156 I157M1-L153 HydrophobicContact SD-CD2 4.05Å; M1-L153 HydrophobicContact SD-CG 4.44Å; L51-L153 HydrophobicContact CD2-CB 4.21Å; L52-L153 HydrophobicContact CD2-CD1 4.06Å; V55-L153 HydrophobicContact CB-CD1 4.33Å; V55-L153 HydrophobicContact CB-CD2 4.49Å; V55-L153 HydrophobicContact CG1-CD1 4.18Å; V55-L153 HydrophobicContact CG1-CD2 3.92Å; V55-L153 HydrophobicContact CG2-CD1 4.15Å; V55-L153 HydrophobicContact CG2-CD2 3.89Å; Y60-L153 HydrophobicContact CD2-CD2 3.71Å; Y60-L153 HydrophobicContact CE2-CD2 3.72Å; L149-L153 WeakPolarHBondContact O-CB 3.46Å; L149-L153 PolarHBondContact O-N 2.74Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.27Å; L153-L156 PolarHBondContact O-N 3.13Å; L153-I157 HydrophobicContact CD1-CD1 3.82Å; L153-I157 HydrophobicContact CD1-CG1 4.35Å; L153-I157 HydrophobicContact CG-CD1 3.88Å; L153-I157 WeakPolarHBondContact O-CG1 3.32Å; L153-I157 PolarHBondContact O-N 3.06Å
154R90.2Very high86.3Confident129 Ų12947 Ų4749%0.48724%0.238SC..Hα-helixtrans-64-31.7177.9-73.6168.5-176.4-102.92.2112.3M1 Y60 T150 T151 R152 T158M1-R154 HydrophobicContact CE-CG 4.37Å; Y60-R154 PolarHBondContact OH-NH2 3.07Å; T150-R154 VanDerWaalsContact CG2-NE 3.3Å; T150-R154 WeakPolarHBondContact O-CB 3.32Å; T150-R154 WeakPolarHBondContact O-CD 3.25Å; T150-R154 WeakPolarHBondContact O-CG 3.37Å; T150-R154 PolarHBondContact O-N 3.06Å; T150-R154 VanDerWaalsContact O-N 3.11Å; T151-R154 PolarHBondContact O-N 3.02Å; R152-R154 VanDerWaalsContact C-N 3.34Å; R152-R154 PolarHBondContact O-N 3.45Å; R154-T158 WeakPolarHBondContact O-CB 3.39Å; R154-T158 PolarHBondContact O-N 3.02Å; R154-T158 VanDerWaalsContact O-N 3.12Å; R154-T158 PolarHBondContact O-OG1 2.97Å
155R88.5Confident85.3Confident92 Ų9252.7 Ų52.735%0.34726%0.262SS..Hα-helixtrans-71.8-47.4173-75.8175169.5145.7-1.7112.4E37 T151 R152 L153 I157 T158 A159E37-R155 IonicContact OE1-CZ 2.66Å; E37-R155 IonicContact OE1-NE 3.26Å; E37-R155 IonicContact OE1-NH1 3.36Å; E37-R155 IonicContact OE1-NH2 3.55Å; E37-R155 PolarHBondContact OE1-NH2 3.24Å; E37-R155 IonicContact OE2-CZ 2.75Å; E37-R155 IonicContact OE2-NH1 2.79Å; E37-R155 PolarHBondContact OE2-NH1 3.13Å; E37-R155 IonicContact OE2-NH2 3.14Å; E37-R155 PolarHBondContact OE2-NH2 3Å; T151-R155 WeakPolarHBondContact O-CG 3.36Å; T151-R155 PolarHBondContact O-N 3.28Å; T151-R155 VanDerWaalsContact O-N 3.08Å; R152-R155 CarbonylContact O-C 3.52Å; R152-R155 WeakPolarHBondContact O-CA 3.45Å; R152-R155 WeakPolarHBondContact O-CB 3.41Å; R152-R155 PolarHBondContact O-N 3.46Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.27Å; R155-I157 PolarHBondContact O-N 3.06Å; R155-T158 CarbonylContact O-C 3.43Å; R155-T158 WeakPolarHBondContact O-CA 3.25Å; R155-T158 WeakPolarHBondContact O-CB 3.34Å; R155-T158 PolarHBondContact O-N 2.94Å; R155-A159 PolarHBondContact O-N 2.83Å
156L88.1Confident84.2Confident0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-55-51.9175.3-67.9169.8000110.7V30 P33 D48 L51 L52 R152 L153 T158 A159 Y160V30-L156 HydrophobicContact CG1-CD2 3.83Å; P33-L156 HydrophobicContact CG-CD2 4.02Å; D48-L156 HydrophobicContact CB-CD1 3.87Å; D48-L156 HydrophobicContact CB-CD2 3.99Å; L51-L156 HydrophobicContact CD2-CD1 4.5Å; L52-L156 HydrophobicContact CD1-CD1 4.1Å; L52-L156 HydrophobicContact CD2-CB 4.11Å; L52-L156 HydrophobicContact CD2-CD1 4.26Å; L52-L156 HydrophobicContact CG-CD1 4.03Å; R152-L156 HydrophobicContact CG-CD1 4.29Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 2.89Å; L153-L156 PolarHBondContact O-N 3.13Å; L156-T158 VanDerWaalsContact C-N 3.26Å; L156-T158 PolarHBondContact O-N 3.33Å; L156-A159 CarbonylContact O-C 3.52Å; L156-A159 WeakPolarHBondContact O-CA 3.23Å; L156-A159 WeakPolarHBondContact O-CB 3.45Å; L156-A159 PolarHBondContact O-N 2.94Å; L156-Y160 VanDerWaalsContact O-CD2 3.28Å; L156-Y160 WeakPolarHBondContact O-CD2 3.41Å; L156-Y160 PolarHBondContact O-N 2.88Å
157I87.4Confident83Confident12 Ų1254.8 Ų54.86%0.06226%0.264CS..Hα-helixtrans-59.5-37.4176.9-66.4166.8000111.5M1 Y4 L5 L153 R155 Q161M1-I157 HydrophobicContact CE-CD1 3.99Å; M1-I157 HydrophobicContact CG-CD1 3.63Å; M1-I157 HydrophobicContact SD-CD1 3.42Å; M1-I157 WeakPolarHBondContact SD-CD1 3.48Å; Y4-I157 HydrophobicContact CD1-CG2 4.07Å; Y4-I157 HydrophobicContact CE1-CG2 4.27Å; L5-I157 HydrophobicContact CD2-CD1 4.49Å; L5-I157 HydrophobicContact CD2-CG1 4.24Å; L153-I157 HydrophobicContact CD1-CD1 3.82Å; L153-I157 HydrophobicContact CD1-CG1 4.35Å; L153-I157 HydrophobicContact CG-CD1 3.88Å; L153-I157 WeakPolarHBondContact O-CG1 3.32Å; L153-I157 PolarHBondContact O-N 3.06Å; R155-I157 PolarHBondContact O-N 3.06Å; I157-Q161 WeakPolarHBondContact O-CB 3.42Å; I157-Q161 VanDerWaalsContact O-CG 3.27Å; I157-Q161 WeakPolarHBondContact O-CG 3.41Å; I157-Q161 PolarHBondContact O-N 2.96Å
158T87.9Confident81.6Confident57 Ų5755.2 Ų55.235%0.3526%0.257SS..Hα-helixtrans-67.8-35.5174.7-60.80000112.1R154 R155 L156 R162R154-T158 WeakPolarHBondContact O-CB 3.39Å; R154-T158 PolarHBondContact O-N 3.02Å; R154-T158 VanDerWaalsContact O-N 3.12Å; R154-T158 PolarHBondContact O-OG1 2.97Å; R155-T158 CarbonylContact O-C 3.43Å; R155-T158 WeakPolarHBondContact O-CA 3.25Å; R155-T158 WeakPolarHBondContact O-CB 3.34Å; R155-T158 PolarHBondContact O-N 2.94Å; L156-T158 VanDerWaalsContact C-N 3.26Å; L156-T158 PolarHBondContact O-N 3.33Å; T158-R162 VanDerWaalsContact O-CG 3.25Å; T158-R162 WeakPolarHBondContact O-CG 3.28Å; T158-R162 PolarHBondContact O-N 2.77Å; T158-R162 VanDerWaalsContact O-N 3.07Å
159A85.1Confident80.1Confident15 Ų1556.9 Ų56.912%0.12426%0.261CS..Hα-helixtrans-68.7-45.9174.700000111.1P31 R155 L156 Q161 R162 T163P31-A159 HydrophobicContact CB-CB 3.97Å; P31-A159 HydrophobicContact CG-CB 3.76Å; R155-A159 PolarHBondContact O-N 2.83Å; L156-A159 CarbonylContact O-C 3.52Å; L156-A159 WeakPolarHBondContact O-CA 3.23Å; L156-A159 WeakPolarHBondContact O-CB 3.45Å; L156-A159 PolarHBondContact O-N 2.94Å; A159-Q161 PolarHBondContact O-N 2.93Å; A159-R162 WeakPolarHBondContact O-CB 3.34Å; A159-R162 PolarHBondContact O-N 3.37Å; A159-R162 VanDerWaalsContact O-N 3.09Å; A159-T163 PolarHBondContact O-N 3.43Å; A159-T163 PolarHBondContact O-OG1 2.9Å
160Y83.9Confident78.2Confident7 Ų762.7 Ų62.73%0.02729%0.288CS..Hα-helixtrans-54.4-49.8169.8-83.7-76.9000111.5V9 V28 W29 V30 P31 L52 L156 R162 T163 N164V9-Y160 HydrophobicContact CB-CE1 4.23Å; V9-Y160 HydrophobicContact CG1-CD1 4.38Å; V9-Y160 HydrophobicContact CG1-CD2 4.48Å; V9-Y160 HydrophobicContact CG1-CE1 3.7Å; V9-Y160 HydrophobicContact CG1-CE2 3.82Å; V9-Y160 WeakPolarHBondContact CG1-OH 3.34Å; V9-Y160 HydrophobicContact CG2-CD1 3.75Å; V9-Y160 HydrophobicContact CG2-CD2 4.03Å; V9-Y160 HydrophobicContact CG2-CE1 3.94Å; V9-Y160 HydrophobicContact CG2-CE2 4.21Å; V9-Y160 HydrophobicContact CG2-CG 3.8Å; V28-Y160 WeakPolarHBondContact CG1-OH 3.47Å; W29-Y160 HydrophobicContact CE3-CE1 4.23Å; W29-Y160 HydrophobicContact CZ3-CE1 4.49Å; W29-Y160 WeakPolarHBondContact O-CE1 3.46Å; W29-Y160 VanDerWaalsContact O-CZ 3.24Å; W29-Y160 PolarHBondContact O-OH 3.41Å; V30-Y160 WeakPolarHBondContact CA-OH 3.3Å; P31-Y160 VanDerWaalsContact CD-CE1 3.48Å; P31-Y160 VanDerWaalsContact CD-CE2 3.44Å; P31-Y160 HydrophobicContact CG-CD1 4.02Å; P31-Y160 HydrophobicContact CG-CD2 3.79Å; P31-Y160 HydrophobicContact CG-CE1 4.25Å; P31-Y160 HydrophobicContact CG-CE2 4.03Å; P31-Y160 HydrophobicContact CG-CG 3.79Å; L52-Y160 HydrophobicContact CD1-CE2 3.62Å; L52-Y160 HydrophobicContact CD2-CE2 4.13Å; L156-Y160 VanDerWaalsContact O-CD2 3.28Å; L156-Y160 WeakPolarHBondContact O-CD2 3.41Å; L156-Y160 PolarHBondContact O-N 2.88Å; Y160-R162 PolarHBondContact O-N 3.08Å; Y160-T163 PolarHBondContact O-N 3.46Å; Y160-N164 WeakPolarHBondContact O-CB 3.15Å; Y160-N164 PolarHBondContact O-N 3.26Å
161Q83.1Confident76.3Confident74 Ų7468.1 Ų68.135%0.34631%0.313SS..Hα-helixtrans-66.4-19.7-179.9-73.1179.813.800114Y4 I157 A159 K165Y4-Q161 HydrophobicContact CD1-CG 4.48Å; Y4-Q161 HydrophobicContact CE1-CG 3.69Å; Y4-Q161 HydrophobicContact CE2-CG 4.13Å; I157-Q161 WeakPolarHBondContact O-CB 3.42Å; I157-Q161 VanDerWaalsContact O-CG 3.27Å; I157-Q161 WeakPolarHBondContact O-CG 3.41Å; I157-Q161 PolarHBondContact O-N 2.96Å; A159-Q161 PolarHBondContact O-N 2.93Å; Q161-K165 WeakPolarHBondContact O-CD 3.49Å; Q161-K165 WeakPolarHBondContact O-CE 3.49Å; Q161-K165 WeakPolarHBondContact O-CG 3.16Å
162R80Confident74.5Confident156 Ų15670 Ų7059%0.58932%0.319SS*.Hα-helixtrans-80.7-51.1169.1-71166.5-171.51776.7110.4T158 A159 Y160 K165 N166T158-R162 VanDerWaalsContact O-CG 3.25Å; T158-R162 WeakPolarHBondContact O-CG 3.28Å; T158-R162 PolarHBondContact O-N 2.77Å; T158-R162 VanDerWaalsContact O-N 3.07Å; A159-R162 WeakPolarHBondContact O-CB 3.34Å; A159-R162 PolarHBondContact O-N 3.37Å; A159-R162 VanDerWaalsContact O-N 3.09Å; Y160-R162 PolarHBondContact O-N 3.08Å; R162-K165 PolarHBondContact O-N 2.83Å; R162-N166 PolarHBondContact O-N 2.84Å; R162-N166 PolarHBondContact O-ND2 3.4Å
163T77.4Confident72Confident50 Ų5075.8 Ų75.831%0.30735%0.347SS..Hα-helixtrans-77.4-34.5-171.7-50.70000112.9W29 A159 Y160 N166 R167W29-T163 HydrophobicContact CH2-CG2 3.5Å; W29-T163 VanDerWaalsContact CH2-CG2 3.5Å; W29-T163 HydrophobicContact CZ2-CG2 4.41Å; W29-T163 HydrophobicContact CZ3-CG2 4.13Å; A159-T163 PolarHBondContact O-N 3.43Å; A159-T163 PolarHBondContact O-OG1 2.9Å; Y160-T163 PolarHBondContact O-N 3.46Å; T163-N166 CarbonylContact O-C 3.15Å; T163-N166 WeakPolarHBondContact O-CA 3.44Å; T163-N166 WeakPolarHBondContact O-CB 3.11Å; T163-N166 PolarHBondContact O-N 3.21Å; T163-R167 WeakPolarHBondContact O-CB 3.41Å; T163-R167 PolarHBondContact O-N 3.2Å
164N72.4Confident69.5Low25 Ų2580.2 Ų80.213%0.13438%0.376CS..Hα-helixtrans-63.6-41.4171.1-170.4-22.2000110.7E8 Y160 N166 R167 Q168E8-N164 PolarHBondContact OE2-ND2 3.47Å; Y160-N164 WeakPolarHBondContact O-CB 3.15Å; Y160-N164 PolarHBondContact O-N 3.26Å; N164-N166 VanDerWaalsContact C-N 3.28Å; N164-N166 PolarHBondContact O-N 3.05Å; N164-R167 CarbonylContact O-C 3.55Å; N164-R167 WeakPolarHBondContact O-CA 3.46Å; N164-R167 WeakPolarHBondContact O-CB 3Å; N164-R167 PolarHBondContact O-N 3.26Å; N164-Q168 WeakPolarHBondContact O-CG 3.2Å; N164-Q168 PolarHBondContact O-N 3.18Å; N164-Q168 PolarHBondContact OD1-NE2 3.46Å
165K67.2Low66.8Low122 Ų12280.9 Ų80.953%0.5339%0.394SS..Hα-helixtrans-60.2-35.9168.8-72.4175.7-167.8150.50112.7Q161 R162 I169Q161-K165 WeakPolarHBondContact O-CD 3.49Å; Q161-K165 WeakPolarHBondContact O-CE 3.49Å; Q161-K165 WeakPolarHBondContact O-CG 3.16Å; R162-K165 PolarHBondContact O-N 2.83Å; K165-I169 WeakPolarHBondContact O-CB 3.19Å; K165-I169 VanDerWaalsContact O-CD1 3.29Å; K165-I169 WeakPolarHBondContact O-CD1 3.49Å; K165-I169 WeakPolarHBondContact O-CG1 3.16Å; K165-I169 PolarHBondContact O-N 3.15Å
166N62.6Low64.1Low74 Ų7485 Ų8540%0.39642%0.415SS..Hα-helixtrans-74.2-27172.5-66.6-28.2000113.1R162 T163 N164 Q170R162-N166 PolarHBondContact O-N 2.84Å; R162-N166 PolarHBondContact O-ND2 3.4Å; T163-N166 CarbonylContact O-C 3.15Å; T163-N166 WeakPolarHBondContact O-CA 3.44Å; T163-N166 WeakPolarHBondContact O-CB 3.11Å; T163-N166 PolarHBondContact O-N 3.21Å; N164-N166 VanDerWaalsContact C-N 3.28Å; N164-N166 PolarHBondContact O-N 3.05Å; N166-Q170 WeakPolarHBondContact O-CG 3.15Å; N166-Q170 PolarHBondContact O-N 2.82Å; N166-Q170 VanDerWaalsContact O-N 3.07Å; N166-Q170 PolarHBondContact O-NE2 2.84Å
167R61.8Low61.9Low140 Ų14090.7 Ų90.753%0.52846%0.455SS..Hα-helixtrans-75.9-44.5177.3-176.6-179.1174166.91.6110.7T163 N164 I169 Q170 Q171T163-R167 WeakPolarHBondContact O-CB 3.41Å; T163-R167 PolarHBondContact O-N 3.2Å; N164-R167 CarbonylContact O-C 3.55Å; N164-R167 WeakPolarHBondContact O-CA 3.46Å; N164-R167 WeakPolarHBondContact O-CB 3Å; N164-R167 PolarHBondContact O-N 3.26Å; R167-I169 PolarHBondContact O-N 3.43Å; R167-Q170 CarbonylContact O-C 3.6Å; R167-Q170 WeakPolarHBondContact O-CA 3.45Å; R167-Q170 PolarHBondContact O-N 3.45Å; R167-Q171 HydrophobicContact CG-CG 4.26Å; R167-Q171 PolarHBondContact O-N 3.42Å
168Q57.2Low59.2Low90 Ų9095.7 Ų95.742%0.42149%0.486SS..Hα-helixtrans-59.2-35.1169.8-66.417410.300111.3N164 Q170 I172N164-Q168 WeakPolarHBondContact O-CG 3.2Å; N164-Q168 PolarHBondContact O-N 3.18Å; N164-Q168 PolarHBondContact OD1-NE2 3.46Å; Q168-Q170 VanDerWaalsContact C-N 3.34Å; Q168-I172 VanDerWaalsContact O-CD1 3.31Å; Q168-I172 WeakPolarHBondContact O-CD1 3.44Å; Q168-I172 VanDerWaalsContact O-CG1 3.28Å; Q168-I172 WeakPolarHBondContact O-CG1 3.45Å
169I57.4Low56.9Low63 Ų6398.6 Ų98.632%0.32351%0.506SS..Hα-helixtrans-68.6-29.6171.6-72.6167.6000112.6K165 R167 M196K165-I169 WeakPolarHBondContact O-CB 3.19Å; K165-I169 VanDerWaalsContact O-CD1 3.29Å; K165-I169 WeakPolarHBondContact O-CD1 3.49Å; K165-I169 WeakPolarHBondContact O-CG1 3.16Å; K165-I169 PolarHBondContact O-N 3.15Å; R167-I169 PolarHBondContact O-N 3.43Å; I169-M196 HydrophobicContact CB-CE 4.29Å; I169-M196 HydrophobicContact CG1-CE 4.12Å; I169-M196 HydrophobicContact CG2-CE 4.26Å; I169-M196 HydrophobicContact CG2-SD 4.12Å
170Q51.1Low54.6Low123 Ų123105 Ų10558%0.57554%0.543SS*.Hα-helixtrans-88.2-35.6180-78.1169.395.600113.8N166 R167 Q168 I172 Q173N166-Q170 WeakPolarHBondContact O-CG 3.15Å; N166-Q170 PolarHBondContact O-N 2.82Å; N166-Q170 VanDerWaalsContact O-N 3.07Å; N166-Q170 PolarHBondContact O-NE2 2.84Å; R167-Q170 CarbonylContact O-C 3.6Å; R167-Q170 WeakPolarHBondContact O-CA 3.45Å; R167-Q170 PolarHBondContact O-N 3.45Å; Q168-Q170 VanDerWaalsContact C-N 3.34Å; Q170-I172 PolarHBondContact O-N 3.47Å; Q170-Q173 WeakPolarHBondContact O-CB 3.5Å; Q170-Q173 PolarHBondContact O-N 2.78Å
171Q50.6Low52.1Low128 Ų128109.7 Ų109.760%0.59858%0.577SS**Hα-helixtrans-70.4-11.4175-72.3177.7-57.800112.9R167 Q173R167-Q171 HydrophobicContact CG-CG 4.26Å; R167-Q171 PolarHBondContact O-N 3.42Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å
172I51.1Low49.7Very low102 Ų102112.7 Ų112.752%0.52360%0.6SS.*THydrogen-bonded Turntrans-83.6-5.8167.8-70170.5000111.5Q168 Q170 M196Q168-I172 VanDerWaalsContact O-CD1 3.31Å; Q168-I172 WeakPolarHBondContact O-CD1 3.44Å; Q168-I172 VanDerWaalsContact O-CG1 3.28Å; Q168-I172 WeakPolarHBondContact O-CG1 3.45Å; Q170-I172 PolarHBondContact O-N 3.47Å; I172-M196 HydrophobicContact CB-CE 3.98Å; I172-M196 HydrophobicContact CD1-CE 3.88Å; I172-M196 HydrophobicContact CG2-CE 3.75Å; I172-M196 HydrophobicContact CG2-SD 4.33Å
173Q37.2Very low47.7Very low132 Ų132113.4 Ų113.462%0.61761%0.612SS**SBendtrans-86.7127.7162.6-58.4-153121.800109.9Q170 Q171 T175Q170-Q173 WeakPolarHBondContact O-CB 3.5Å; Q170-Q173 PolarHBondContact O-N 2.78Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q173-T175 PolarHBondContact O-N 3.33Å
174P38.4Very low45.4Very low93 Ų93119.7 Ų119.760%0.60464%0.638SS**  trans-63.8131.6173.8-2133.1000111.6F176P174-F176 HydrophobicContact CB-CD2 3.82Å; P174-F176 HydrophobicContact CB-CE2 3.91Å; P174-F176 PolarHBondContact O-N 3.5Å
175T34.1Very low44Very low144 Ų144123 Ų12388%0.88366%0.661SS**  trans-79.982.2173.550.60000110.7Q173Q173-T175 PolarHBondContact O-N 3.33Å
176F31.7Very low42.3Very low178 Ų178124.8 Ų124.878%0.78168%0.675SS**  trans-94.8104.2167.4-81.1-73.1000111P174 V178P174-F176 HydrophobicContact CB-CD2 3.82Å; P174-F176 HydrophobicContact CB-CE2 3.91Å; P174-F176 PolarHBondContact O-N 3.5Å; F176-V178 HydrophobicContact CB-CG2 4.36Å
177S41.5Very low41.5Very low119 Ų119131.5 Ų131.583%0.83270%0.696SS**  trans-76.6117161.749.90000109.5
178V31.8Very low40.1Very low117 Ų117132.9 Ų132.971%0.70971%0.708SS**  trans-133.3132.4175.6-1740000109.3F176F176-V178 HydrophobicContact CB-CG2 4.36Å
179P39Very low39.5Very low119 Ų119138 Ų13877%0.77373%0.732SS**  trans-66.7158.6176.5-20.233.1000113.4S181P179-S181 PolarHBondContact O-N 3.33Å
180T37.2Very low39Very low149 Ų149137.2 Ų137.291%0.91474%0.736SS**  trans-73.3109.8177-56.20000112.3
181S31.5Very low38.8Very low105 Ų105138 Ų13873%0.73475%0.749SS**  trans-163.5149150.1-152.90000114P179P179-S181 PolarHBondContact O-N 3.33Å
182V33.5Very low38.8Very low137 Ų137137.6 Ų137.683%0.8375%0.75SS**  trans61.1134.1168.5-161.80000118.3
183M36.8Very low38.8Very low172 Ų172135.8 Ų135.885%0.84774%0.741SS**  trans-81.2135.9169.8-70.4173.95600112.4
184Q30.1Very low39.9Very low182 Ų182134.3 Ų134.385%0.8574%0.744SS**  -164.5153.9114-104.7-172.115.100111.6
185P41.3Very low40.6Very low94 Ų94138.3 Ų138.361%0.6175%0.751SS**  trans-91.4118.3-177.834-30.8000112.5
186I32.6Very low41.7Very low159 Ų159133.2 Ų133.282%0.81572%0.718SS**  trans-105.8139164.1-66.6179.4000109E188I186-E188 PolarHBondContact O-N 2.98Å
187Y45.4Very low43.1Very low215 Ų215126.4 Ų126.484%0.84369%0.694SS**  trans-87.381.7-171.7-44.4-92.2000111.3E189Y187-E189 PolarHBondContact O-N 3.24Å
188E32.4Very low44.2Very low170 Ų170121.8 Ų121.879%0.79466%0.664SS**  trans-90.377.5177.5-164.8145.3-129.900111.8I186 A190I186-E188 PolarHBondContact O-N 2.98Å; E188-A190 HydrophobicContact CG-CB 4.01Å; E188-A190 PolarHBondContact O-N 2.87Å
189E45.3Very low45.8Very low196 Ų196120.8 Ų120.892%0.91665%0.65SS**  trans-76.952.9175.6-161.4179.4176.800111.6Y187Y187-E189 PolarHBondContact O-N 3.24Å
190A45.7Very low47.1Very low48 Ų48118.8 Ų118.840%0.39763%0.632SS.*  trans-119139.1-174.400000112.8E188 L192E188-A190 HydrophobicContact CG-CB 4.01Å; E188-A190 PolarHBondContact O-N 2.87Å; A190-L192 PolarHBondContact O-N 3.38Å
191T47.3Very low48.5Very low138 Ų138116.9 Ų116.985%0.84761%0.613SS**SBendtrans63.8-1.7171.174.20000119N193T191-N193 PolarHBondContact O-N 2.94Å
192L50Low50Low120 Ų120120.3 Ų120.363%0.62861%0.609SS**  trans-60.6108.5168.4-58-172.5000110.6A190 A197A190-L192 PolarHBondContact O-N 3.38Å; L192-A197 HydrophobicContact CB-CB 4.2Å
193N51.8Low51.4Low64 Ų64116.9 Ų116.934%0.34258%0.584SS.*  trans-51.9125.3177.3179.6-42.8000109.6T191 K195 M196 A197T191-N193 PolarHBondContact O-N 2.94Å; N193-K195 PolarHBondContact O-N 3.48Å; N193-K195 WeakPolarHBondContact OD1-CB 3.28Å; N193-K195 PolarHBondContact OD1-N 2.84Å; N193-M196 HydrophobicContact CB-CB 4.35Å; N193-M196 HydrophobicContact CB-CE 4.49Å; N193-M196 HydrophobicContact CB-CG 4.08Å; N193-M196 HydrophobicContact CB-SD 4.4Å; N193-M196 CarbonylContact O-C 3.6Å; N193-M196 WeakPolarHBondContact O-CA 3.44Å; N193-M196 WeakPolarHBondContact O-CB 3.31Å; N193-M196 PolarHBondContact O-N 2.84Å; N193-A197 PolarHBondContact O-N 2.7Å
194P60.4Low52.8Low102 Ų102114.7 Ų114.766%0.66257%0.572SS**Hα-helixtrans-62.3-21.1-17021.6-33.3000113.5A198P194-A198 WeakPolarHBondContact O-CB 3.4Å; P194-A198 PolarHBondContact O-N 3.17Å; P194-A198 VanDerWaalsContact O-N 3.08Å
195K53.7Low55.1Low177 Ų177113.6 Ų113.677%0.7756%0.56SS**Hα-helixtrans-73.3-33.2171.5-62.6175.9-178.1172.10112.4N193 K199N193-K195 PolarHBondContact O-N 3.48Å; N193-K195 WeakPolarHBondContact OD1-CB 3.28Å; N193-K195 PolarHBondContact OD1-N 2.84Å; K195-K199 VanDerWaalsContact O-CB 3.31Å; K195-K199 WeakPolarHBondContact O-CB 3.33Å; K195-K199 PolarHBondContact O-N 2.79Å
196M56Low57.1Low36 Ų36110.8 Ų110.818%0.17754%0.537CS..Hα-helixtrans-79.2-46.5174.8-60.2-169.2-164.200111.1I169 I172 N193 A198 K199 I200I169-M196 HydrophobicContact CB-CE 4.29Å; I169-M196 HydrophobicContact CG1-CE 4.12Å; I169-M196 HydrophobicContact CG2-CE 4.26Å; I169-M196 HydrophobicContact CG2-SD 4.12Å; I172-M196 HydrophobicContact CB-CE 3.98Å; I172-M196 HydrophobicContact CD1-CE 3.88Å; I172-M196 HydrophobicContact CG2-CE 3.75Å; I172-M196 HydrophobicContact CG2-SD 4.33Å; N193-M196 HydrophobicContact CB-CB 4.35Å; N193-M196 HydrophobicContact CB-CE 4.49Å; N193-M196 HydrophobicContact CB-CG 4.08Å; N193-M196 HydrophobicContact CB-SD 4.4Å; N193-M196 CarbonylContact O-C 3.6Å; N193-M196 WeakPolarHBondContact O-CA 3.44Å; N193-M196 WeakPolarHBondContact O-CB 3.31Å; N193-M196 PolarHBondContact O-N 2.84Å; M196-A198 PolarHBondContact O-N 3.29Å; M196-K199 CarbonylContact O-C 3.6Å; M196-K199 WeakPolarHBondContact O-CA 3.44Å; M196-K199 WeakPolarHBondContact O-CB 3.39Å; M196-K199 PolarHBondContact O-N 3.03Å; M196-I200 WeakPolarHBondContact O-CG1 3.29Å; M196-I200 PolarHBondContact O-N 2.99Å
197A61.6Low59.8Low35 Ų35106.4 Ų106.429%0.28952%0.518SS..Hα-helixtrans-54.1-51.7174.200000111L192 N193 K199 I200 E201L192-A197 HydrophobicContact CB-CB 4.2Å; N193-A197 PolarHBondContact O-N 2.7Å; A197-K199 PolarHBondContact O-N 3.15Å; A197-I200 PolarHBondContact O-N 3.32Å; A197-E201 VanDerWaalsContact O-CB 3.29Å; A197-E201 WeakPolarHBondContact O-CB 3.14Å; A197-E201 PolarHBondContact O-N 2.87Å
198A63.9Low61.6Low23 Ų23106.6 Ų106.619%0.1952%0.518CS..Hα-helixtrans-71.7-6.5176.100000114.7P194 M196 R202P194-A198 WeakPolarHBondContact O-CB 3.4Å; P194-A198 PolarHBondContact O-N 3.17Å; P194-A198 VanDerWaalsContact O-N 3.08Å; M196-A198 PolarHBondContact O-N 3.29Å; A198-R202 WeakPolarHBondContact O-CB 3.1Å; A198-R202 WeakPolarHBondContact O-CD 3.4Å; A198-R202 WeakPolarHBondContact O-CG 3.22Å; A198-R202 PolarHBondContact O-NE 3.42Å
199K66.6Low64.2Low95 Ų95107.8 Ų107.841%0.41352%0.515SS..Hα-helixtrans-87.5-47.1168.7-178.1-168.5173.5-165.70109.7K195 M196 A197 R202 Q203K195-K199 VanDerWaalsContact O-CB 3.31Å; K195-K199 WeakPolarHBondContact O-CB 3.33Å; K195-K199 PolarHBondContact O-N 2.79Å; M196-K199 CarbonylContact O-C 3.6Å; M196-K199 WeakPolarHBondContact O-CA 3.44Å; M196-K199 WeakPolarHBondContact O-CB 3.39Å; M196-K199 PolarHBondContact O-N 3.03Å; A197-K199 PolarHBondContact O-N 3.15Å; K199-R202 PolarHBondContact O-N 3.11Å; K199-Q203 VanDerWaalsContact CE-OE1 3.26Å; K199-Q203 WeakPolarHBondContact O-CG 3.3Å; K199-Q203 PolarHBondContact O-N 2.87Å
200I66.2Low66.4Low78 Ų78100.3 Ų100.340%0.448%0.48SS..Hα-helixtrans-61.9-49.8176.2-66.3164.7000110.2M196 A197 R202 Q203 Q204M196-I200 WeakPolarHBondContact O-CG1 3.29Å; M196-I200 PolarHBondContact O-N 2.99Å; A197-I200 PolarHBondContact O-N 3.32Å; I200-R202 VanDerWaalsContact C-N 3.3Å; I200-R202 PolarHBondContact O-N 3.43Å; I200-Q203 CarbonylContact O-C 3.59Å; I200-Q203 PolarHBondContact O-N 2.89Å; I200-Q204 HydrophobicContact CG2-CG 4.27Å; I200-Q204 WeakPolarHBondContact O-CG 3.44Å; I200-Q204 PolarHBondContact O-N 3.45Å
201E66.6Low68.6Low109 Ų109100.8 Ų100.851%0.50947%0.474SS..Hα-helixtrans-53.2-46.1174.7-172.9-127.8148.800111.2A197 Q203 R205A197-E201 VanDerWaalsContact O-CB 3.29Å; A197-E201 WeakPolarHBondContact O-CB 3.14Å; A197-E201 PolarHBondContact O-N 2.87Å; E201-Q203 PolarHBondContact O-N 2.7Å; E201-R205 WeakPolarHBondContact O-CB 3.47Å; E201-R205 PolarHBondContact O-N 3.03Å
202R62.1Low70.7Confident176 Ų17696.9 Ų96.966%0.66446%0.455SS*.Hα-helixtrans-70.7-26.2177.2-71.9175.9-164.1144.76.9114.3A198 K199 I200A198-R202 WeakPolarHBondContact O-CB 3.1Å; A198-R202 WeakPolarHBondContact O-CD 3.4Å; A198-R202 WeakPolarHBondContact O-CG 3.22Å; A198-R202 PolarHBondContact O-NE 3.42Å; K199-R202 PolarHBondContact O-N 3.11Å; I200-R202 VanDerWaalsContact C-N 3.3Å; I200-R202 PolarHBondContact O-N 3.43Å
203Q62.7Low72.7Confident65 Ų6592.4 Ų92.430%0.30443%0.432SS..Hα-helixtrans-80.5-40.3175.1-76.3-177.3-110.400111.4K199 I200 E201 K245 K246K199-Q203 VanDerWaalsContact CE-OE1 3.26Å; K199-Q203 WeakPolarHBondContact O-CG 3.3Å; K199-Q203 PolarHBondContact O-N 2.87Å; I200-Q203 CarbonylContact O-C 3.59Å; I200-Q203 PolarHBondContact O-N 2.89Å; E201-Q203 PolarHBondContact O-N 2.7Å; Q203-K245 PolarHBondContact NE2-O 3.11Å; Q203-K246 VanDerWaalsContact O-CD 3.28Å; Q203-K246 WeakPolarHBondContact O-CD 3.36Å; Q203-K246 PolarHBondContact O-NZ 3.18Å
204Q67.4Low74.7Confident126 Ų12689.3 Ų89.359%0.58942%0.416SS*.Hα-helixtrans-65-40171.6-69.5-179.91.700111.5I200 W206I200-Q204 HydrophobicContact CG2-CG 4.27Å; I200-Q204 WeakPolarHBondContact O-CG 3.44Å; I200-Q204 PolarHBondContact O-N 3.45Å; Q204-W206 PolarHBondContact O-N 3.09Å; Q204-W206 VanDerWaalsContact O-N 3.16Å
205R77.8Confident76.2Confident160 Ų16088.4 Ų88.460%0.60440%0.4SS*.SBendtrans-62.8117.9179.6-167.5-177.7-156.4-51.9-6.9111.2E201 K246E201-R205 WeakPolarHBondContact O-CB 3.47Å; E201-R205 PolarHBondContact O-N 3.03Å; R205-K246 PolarHBondContact O-NZ 3Å
206W84.4Confident78.2Confident34 Ų3485.3 Ų85.313%0.12938%0.383CS..  trans-77.2139.7173.3-70.680.4000111.5Q204 E210 E211 F214 L243 K246 L251 Y254Q204-W206 PolarHBondContact O-N 3.09Å; Q204-W206 VanDerWaalsContact O-N 3.16Å; W206-E210 HydrophobicContact CE3-CB 3.9Å; W206-E210 HydrophobicContact CZ3-CB 4.19Å; W206-E211 HydrophobicContact CB-CG 3.88Å; W206-E211 HydrophobicContact CE3-CG 4.3Å; W206-F214 AromaticContact CH2-CD2 3.68Å; W206-F214 HydrophobicContact CH2-CD2 3.68Å; W206-F214 HydrophobicContact CH2-CE2 4.27Å; W206-F214 HydrophobicContact CH2-CG 4.32Å; W206-F214 HydrophobicContact CZ3-CB 4Å; W206-F214 HydrophobicContact CZ3-CD2 4.04Å; W206-F214 HydrophobicContact CZ3-CG 4.26Å; W206-L243 HydrophobicContact CH2-CD1 4.04Å; W206-L243 HydrophobicContact CZ3-CD1 4Å; W206-L243 HydrophobicContact CZ3-CD2 4.33Å; W206-K246 HydrophobicContact CH2-CG 4.42Å; W206-K246 HydrophobicContact CZ2-CD 4.28Å; W206-L251 HydrophobicContact CH2-CD2 3.83Å; W206-L251 HydrophobicContact CZ2-CD2 4.25Å; W206-Y254 HydrophobicContact CB-CE2 4.41Å; W206-Y254 AromaticContact CD1-CD2 3.8Å; W206-Y254 AromaticContact CD1-CE2 3.93Å; W206-Y254 AromaticContact CD2-CD2 3.75Å; W206-Y254 HydrophobicContact CD2-CD2 3.75Å; W206-Y254 AromaticContact CD2-CE2 3.69Å; W206-Y254 HydrophobicContact CD2-CE2 3.69Å; W206-Y254 HydrophobicContact CD2-CG 4.19Å; W206-Y254 AromaticContact CE2-CD2 3.41Å; W206-Y254 VanDerWaalsContact CE2-CD2 3.41Å; W206-Y254 AromaticContact CE2-CE2 3.89Å; W206-Y254 AromaticContact CE2-CG 3.63Å; W206-Y254 HydrophobicContact CE3-CD1 4.5Å; W206-Y254 HydrophobicContact CE3-CD2 4.43Å; W206-Y254 HydrophobicContact CE3-CE1 4.28Å; W206-Y254 HydrophobicContact CE3-CE2 4.2Å; W206-Y254 HydrophobicContact CG-CD2 4.02Å; W206-Y254 AromaticContact CG-CE2 3.76Å; W206-Y254 HydrophobicContact CG-CE2 3.76Å; W206-Y254 AromaticContact CH2-CD1 3.91Å; W206-Y254 HydrophobicContact CH2-CD1 3.91Å; W206-Y254 HydrophobicContact CH2-CD2 4.49Å; W206-Y254 HydrophobicContact CH2-CE1 4.41Å; W206-Y254 AromaticContact CH2-CG 3.95Å; W206-Y254 HydrophobicContact CH2-CG 3.95Å; W206-Y254 AromaticContact CZ2-CD1 3.98Å; W206-Y254 HydrophobicContact CZ2-CD1 3.98Å; W206-Y254 AromaticContact CZ2-CD2 3.84Å; W206-Y254 HydrophobicContact CZ2-CD2 3.84Å; W206-Y254 AromaticContact CZ2-CG 3.51Å; W206-Y254 HydrophobicContact CZ2-CG 3.51Å; W206-Y254 HydrophobicContact CZ3-CD1 4.19Å; W206-Y254 HydrophobicContact CZ3-CE1 4.23Å; W206-Y254 HydrophobicContact CZ3-CG 4.47Å; W206-Y254 AromaticContact NE1-CD2 3.44Å
207T88.5Confident80Confident68 Ų6883.8 Ų83.842%0.41738%0.375SS..  trans-109.6146.4172.166.40000110.2R209 E210 E211T207-R209 CarbonylContact O-C 3.6Å; T207-R209 PolarHBondContact O-N 2.9Å; T207-E210 WeakPolarHBondContact CB-OE2 3.44Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.38Å; T207-E210 PolarHBondContact N-OE2 3.35Å; T207-E210 WeakPolarHBondContact O-CA 3.49Å; T207-E210 WeakPolarHBondContact O-CB 3.18Å; T207-E210 PolarHBondContact O-N 2.84Å; T207-E210 VanDerWaalsContact OG1-CD 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.07Å; T207-E210 PolarHBondContact OG1-OE2 2.94Å; T207-E211 WeakPolarHBondContact O-CG 3.46Å; T207-E211 PolarHBondContact O-N 3.1Å
208R84.1Confident81.5Confident219 Ų21983 Ų8383%0.82637%0.367SS*.Hα-helixtrans-52.2-19.8-178.2-69.3-176.9180170.6-0.7116.1E211 A212R208-E211 VanDerWaalsContact CA-OE2 3.25Å; R208-E211 WeakPolarHBondContact CA-OE2 3.46Å; R208-E211 PolarHBondContact N-OE2 3.45Å; R208-A212 WeakPolarHBondContact O-CB 3.23Å; R208-A212 PolarHBondContact O-N 2.77Å
209R86.3Confident82.7Confident195 Ų19586.2 Ų86.274%0.73639%0.388SS*.Hα-helixtrans-77-52.8171.3177.3172.7-68.8162.3-2.1110.8T207 E211 A212 D213T207-R209 CarbonylContact O-C 3.6Å; T207-R209 PolarHBondContact O-N 2.9Å; R209-E211 VanDerWaalsContact C-N 3.28Å; R209-E211 PolarHBondContact O-N 2.98Å; R209-A212 PolarHBondContact O-N 3.42Å; R209-A212 VanDerWaalsContact O-N 3.16Å; R209-D213 WeakPolarHBondContact CG-OD2 3.43Å; R209-D213 WeakPolarHBondContact O-CB 3.47Å; R209-D213 PolarHBondContact O-N 2.86Å
210E92.3Very high83.7Confident38 Ų3885.8 Ų85.818%0.17839%0.394CS..Hα-helixtrans-58.7-39.6176.3-64.1164.6134.700111.9W206 T207 D213 F214 L243 K246W206-E210 HydrophobicContact CE3-CB 3.9Å; W206-E210 HydrophobicContact CZ3-CB 4.19Å; T207-E210 WeakPolarHBondContact CB-OE2 3.44Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.38Å; T207-E210 PolarHBondContact N-OE2 3.35Å; T207-E210 WeakPolarHBondContact O-CA 3.49Å; T207-E210 WeakPolarHBondContact O-CB 3.18Å; T207-E210 PolarHBondContact O-N 2.84Å; T207-E210 VanDerWaalsContact OG1-CD 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.07Å; T207-E210 PolarHBondContact OG1-OE2 2.94Å; E210-D213 PolarHBondContact O-N 3.02Å; E210-F214 VanDerWaalsContact O-CB 3.27Å; E210-F214 WeakPolarHBondContact O-CB 3.14Å; E210-F214 PolarHBondContact O-N 3.38Å; E210-L243 HydrophobicContact CB-CD2 3.62Å; E210-L243 HydrophobicContact CG-CD2 3.77Å; E210-K246 VanDerWaalsContact CD-CE 3.46Å; E210-K246 WeakPolarHBondContact OE1-CE 3.35Å; E210-K246 IonicContact OE1-NZ 3.41Å; E210-K246 PolarHBondContact OE1-NZ 3.21Å; E210-K246 IonicContact OE2-NZ 2.7Å; E210-K246 PolarHBondContact OE2-NZ 3.26Å
211E90.6Very high84.7Confident59 Ų5988.4 Ų88.428%0.27640%0.402SS..Hα-helixtrans-61.2-48.6174.1-59179.5124.200111W206 T207 R208 R209 F214 Y215 Y254W206-E211 HydrophobicContact CB-CG 3.88Å; W206-E211 HydrophobicContact CE3-CG 4.3Å; T207-E211 WeakPolarHBondContact O-CG 3.46Å; T207-E211 PolarHBondContact O-N 3.1Å; R208-E211 VanDerWaalsContact CA-OE2 3.25Å; R208-E211 WeakPolarHBondContact CA-OE2 3.46Å; R208-E211 PolarHBondContact N-OE2 3.45Å; R209-E211 VanDerWaalsContact C-N 3.28Å; R209-E211 PolarHBondContact O-N 2.98Å; E211-F214 PolarHBondContact O-N 3.26Å; E211-Y215 HydrophobicContact CB-CD2 4.45Å; E211-Y215 HydrophobicContact CB-CE2 4.1Å; E211-Y215 WeakPolarHBondContact O-CB 3.12Å; E211-Y215 WeakPolarHBondContact O-CD2 3.47Å; E211-Y215 VanDerWaalsContact O-CG 3.24Å; E211-Y215 PolarHBondContact O-N 3.03Å; E211-Y254 WeakPolarHBondContact CG-OH 3.22Å; E211-Y254 PolarHBondContact OE1-OH 3.13Å
212A91.3Very high85.7Confident55 Ų5584.6 Ų84.646%0.45539%0.392SS..Hα-helixtrans-69-33.3178.700000113.3R208 R209 R216R208-A212 WeakPolarHBondContact O-CB 3.23Å; R208-A212 PolarHBondContact O-N 2.77Å; R209-A212 PolarHBondContact O-N 3.42Å; R209-A212 VanDerWaalsContact O-N 3.16Å; A212-R216 WeakPolarHBondContact O-CB 3.39Å; A212-R216 PolarHBondContact O-N 3.37Å
213D93Very high87.1Confident26 Ų2677.7 Ų77.714%0.13937%0.37CS..Hα-helixtrans-69.5-42.4174-74.6-44.8000111R209 E210 R216 V217 A241R209-D213 WeakPolarHBondContact CG-OD2 3.43Å; R209-D213 WeakPolarHBondContact O-CB 3.47Å; R209-D213 PolarHBondContact O-N 2.86Å; E210-D213 PolarHBondContact O-N 3.02Å; D213-R216 IonicContact OD1-CZ 3.18Å; D213-R216 IonicContact OD1-NH1 2.69Å; D213-R216 PolarHBondContact OD1-NH1 3.27Å; D213-R216 IonicContact OD1-NH2 2.76Å; D213-R216 PolarHBondContact OD1-NH2 3.35Å; D213-V217 WeakPolarHBondContact O-CG2 3.3Å; D213-V217 PolarHBondContact O-N 3.38Å; D213-V217 VanDerWaalsContact O-N 3.14Å; D213-A241 WeakPolarHBondContact CB-O 3.4Å
214F93.9Very high88.3Confident0 Ų077.7 Ų77.70%037%0.374CS..Hα-helixtrans-58.9-55.6171.2-174-81.4000110.9W206 E210 E211 R216 V217 V218 W234 F237 L243 L251 Y254 L255 F258W206-F214 AromaticContact CH2-CD2 3.68Å; W206-F214 HydrophobicContact CH2-CD2 3.68Å; W206-F214 HydrophobicContact CH2-CE2 4.27Å; W206-F214 HydrophobicContact CH2-CG 4.32Å; W206-F214 HydrophobicContact CZ3-CB 4Å; W206-F214 HydrophobicContact CZ3-CD2 4.04Å; W206-F214 HydrophobicContact CZ3-CG 4.26Å; E210-F214 VanDerWaalsContact O-CB 3.27Å; E210-F214 WeakPolarHBondContact O-CB 3.14Å; E210-F214 PolarHBondContact O-N 3.38Å; E211-F214 PolarHBondContact O-N 3.26Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.28Å; F214-V217 PolarHBondContact O-N 3.16Å; F214-V217 VanDerWaalsContact O-N 3.11Å; F214-V218 HydrophobicContact CD1-CB 4.41Å; F214-V218 HydrophobicContact CD1-CG1 4Å; F214-V218 HydrophobicContact CE1-CB 4.12Å; F214-V218 HydrophobicContact CE1-CG1 3.9Å; F214-V218 HydrophobicContact CE1-CG2 4.42Å; F214-V218 WeakPolarHBondContact O-CG1 3.5Å; F214-V218 PolarHBondContact O-N 2.96Å; F214-W234 HydrophobicContact CE2-CZ3 4.49Å; F214-F237 AromaticContact CD2-CE1 3.49Å; F214-F237 HydrophobicContact CD2-CE1 3.49Å; F214-F237 VanDerWaalsContact CD2-CE1 3.49Å; F214-F237 AromaticContact CD2-CZ 3.54Å; F214-F237 HydrophobicContact CD2-CZ 3.54Å; F214-F237 AromaticContact CE2-CE1 3.6Å; F214-F237 HydrophobicContact CE2-CE1 3.6Å; F214-F237 AromaticContact CE2-CZ 3.61Å; F214-F237 HydrophobicContact CE2-CZ 3.61Å; F214-F237 HydrophobicContact CG-CE1 4.34Å; F214-F237 HydrophobicContact CG-CZ 4.01Å; F214-F237 HydrophobicContact CZ-CZ 4.13Å; F214-L243 HydrophobicContact CB-CD1 4.04Å; F214-L243 HydrophobicContact CD2-CD1 3.83Å; F214-L243 HydrophobicContact CG-CD1 4.45Å; F214-L251 HydrophobicContact CD2-CD2 4.48Å; F214-L251 HydrophobicContact CE2-CD2 4.49Å; F214-Y254 HydrophobicContact CB-CE1 4.45Å; F214-Y254 AromaticContact CD1-CD1 3.74Å; F214-Y254 HydrophobicContact CD1-CD1 3.74Å; F214-Y254 AromaticContact CD1-CE1 3.75Å; F214-Y254 HydrophobicContact CD1-CE1 3.75Å; F214-Y254 AromaticContact CD2-CD1 3.99Å; F214-Y254 HydrophobicContact CD2-CD1 3.99Å; F214-Y254 AromaticContact CE1-CD1 3.7Å; F214-Y254 HydrophobicContact CE1-CD1 3.7Å; F214-Y254 HydrophobicContact CE1-CE1 4.11Å; F214-Y254 AromaticContact CE2-CD1 3.95Å; F214-Y254 HydrophobicContact CE2-CD1 3.95Å; F214-Y254 AromaticContact CG-CD1 3.91Å; F214-Y254 HydrophobicContact CG-CD1 3.91Å; F214-Y254 AromaticContact CG-CE1 3.99Å; F214-Y254 HydrophobicContact CG-CE1 3.99Å; F214-Y254 AromaticContact CZ-CD1 3.82Å; F214-Y254 HydrophobicContact CZ-CD1 3.82Å; F214-L255 HydrophobicContact CZ-CB 4.18Å; F214-L255 HydrophobicContact CZ-CD1 4.21Å; F214-F258 HydrophobicContact CE1-CB 4.5Å
215Y92.3Very high89.3Confident83 Ų8376.4 Ų76.433%0.32537%0.367SS..Hα-helixtrans-60.4-37.8-177.7-66.8-43.1000112.4E211 S219 Y254 F258E211-Y215 HydrophobicContact CB-CD2 4.45Å; E211-Y215 HydrophobicContact CB-CE2 4.1Å; E211-Y215 WeakPolarHBondContact O-CB 3.12Å; E211-Y215 WeakPolarHBondContact O-CD2 3.47Å; E211-Y215 VanDerWaalsContact O-CG 3.24Å; E211-Y215 PolarHBondContact O-N 3.03Å; Y215-S219 VanDerWaalsContact O-CB 3.29Å; Y215-S219 WeakPolarHBondContact O-CB 3.25Å; Y215-S219 PolarHBondContact O-N 2.86Å; Y215-S219 PolarHBondContact O-OG 3.1Å; Y215-Y254 HydrophobicContact CE1-CE1 4.07Å; Y215-Y254 PolarHBondContact OH-OH 2.82Å; Y215-F258 AromaticContact CD1-CD2 3.87Å; Y215-F258 HydrophobicContact CD1-CD2 3.87Å; Y215-F258 AromaticContact CD1-CE2 3.81Å; Y215-F258 HydrophobicContact CD1-CE2 3.81Å; Y215-F258 AromaticContact CE1-CD2 3.55Å; Y215-F258 HydrophobicContact CE1-CD2 3.55Å; Y215-F258 AromaticContact CE1-CE2 3.93Å; Y215-F258 HydrophobicContact CE1-CE2 3.93Å; Y215-F258 HydrophobicContact CE1-CG 4.37Å
216R94.3Very high89.6Confident112 Ų11271.6 Ų71.642%0.42335%0.353SS..Hα-helixtrans-61.6-48.7174-179-175.263.8-106.9-3.2111.2A212 D213 F214 S219 T220A212-R216 WeakPolarHBondContact O-CB 3.39Å; A212-R216 PolarHBondContact O-N 3.37Å; D213-R216 IonicContact OD1-CZ 3.18Å; D213-R216 IonicContact OD1-NH1 2.69Å; D213-R216 PolarHBondContact OD1-NH1 3.27Å; D213-R216 IonicContact OD1-NH2 2.76Å; D213-R216 PolarHBondContact OD1-NH2 3.35Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.28Å; R216-S219 PolarHBondContact O-OG 2.66Å; R216-T220 VanDerWaalsContact O-CB 3.31Å; R216-T220 WeakPolarHBondContact O-CB 3.41Å; R216-T220 PolarHBondContact O-N 2.67Å; R216-T220 PolarHBondContact O-OG1 2.82Å
217V94.7Very high89.3Confident3 Ų374.6 Ų74.62%0.01838%0.377CS..Hα-helixtrans-73.5-46-173.6176.10000111.4D213 F214 S219 T220 F221 G222 F237 M240 A241D213-V217 WeakPolarHBondContact O-CG2 3.3Å; D213-V217 PolarHBondContact O-N 3.38Å; D213-V217 VanDerWaalsContact O-N 3.14Å; F214-V217 PolarHBondContact O-N 3.16Å; F214-V217 VanDerWaalsContact O-N 3.11Å; V217-S219 VanDerWaalsContact C-N 3.28Å; V217-S219 PolarHBondContact O-N 3.32Å; V217-T220 PolarHBondContact O-N 2.82Å; V217-T220 VanDerWaalsContact O-N 3.14Å; V217-F221 HydrophobicContact CG1-CD2 4.11Å; V217-F221 PolarHBondContact O-N 3.27Å; V217-G222 PolarHBondContact O-N 3.24Å; V217-F237 HydrophobicContact CB-CE2 4.01Å; V217-F237 HydrophobicContact CB-CZ 4.41Å; V217-F237 HydrophobicContact CG1-CD2 3.61Å; V217-F237 HydrophobicContact CG1-CE2 3.57Å; V217-F237 HydrophobicContact CG1-CG 4.42Å; V217-F237 HydrophobicContact CG1-CZ 4.34Å; V217-M240 HydrophobicContact CG1-CB 3.94Å; V217-M240 HydrophobicContact CG2-CB 4.16Å; V217-A241 HydrophobicContact CB-CB 4.09Å; V217-A241 HydrophobicContact CG1-CB 4.43Å; V217-A241 HydrophobicContact CG2-CB 3.89Å
218V92.9Very high88.9Confident18 Ų1878.8 Ų78.811%0.10940%0.397CS..Hα-helixtrans-63-33.2179.276.10000112.5F214 G222 V223 F237 L255 F258F214-V218 HydrophobicContact CD1-CB 4.41Å; F214-V218 HydrophobicContact CD1-CG1 4Å; F214-V218 HydrophobicContact CE1-CB 4.12Å; F214-V218 HydrophobicContact CE1-CG1 3.9Å; F214-V218 HydrophobicContact CE1-CG2 4.42Å; F214-V218 WeakPolarHBondContact O-CG1 3.5Å; F214-V218 PolarHBondContact O-N 2.96Å; V218-G222 VanDerWaalsContact O-CA 3.28Å; V218-G222 WeakPolarHBondContact O-CA 3.35Å; V218-G222 PolarHBondContact O-N 2.99Å; V218-G222 VanDerWaalsContact O-N 3.12Å; V218-V223 HydrophobicContact CG2-CG2 4.12Å; V218-F237 HydrophobicContact CB-CE2 4Å; V218-F237 HydrophobicContact CB-CZ 4.26Å; V218-L255 HydrophobicContact CG2-CD1 3.88Å; V218-F258 HydrophobicContact CB-CE1 4.47Å; V218-F258 HydrophobicContact CG1-CD1 4.19Å; V218-F258 HydrophobicContact CG1-CE1 3.6Å; V218-F258 HydrophobicContact CG1-CZ 3.82Å; V218-F258 HydrophobicContact CG2-CD1 4.31Å; V218-F258 HydrophobicContact CG2-CE1 3.98Å
219S88.1Confident88.5Confident91 Ų9177.5 Ų77.564%0.63639%0.392SS*.Hα-helixtrans-82.3-16.8177.262.20000114.8Y215 R216 V217Y215-S219 VanDerWaalsContact O-CB 3.29Å; Y215-S219 WeakPolarHBondContact O-CB 3.25Å; Y215-S219 PolarHBondContact O-N 2.86Å; Y215-S219 PolarHBondContact O-OG 3.1Å; R216-S219 PolarHBondContact O-OG 2.66Å; V217-S219 VanDerWaalsContact C-N 3.28Å; V217-S219 PolarHBondContact O-N 3.32Å
220T88.2Confident88.3Confident87 Ų8770.4 Ų70.453%0.53438%0.379SS..Hα-helixtrans-102.2-31.5-179.8-49.60000112.6R216 V217R216-T220 VanDerWaalsContact O-CB 3.31Å; R216-T220 WeakPolarHBondContact O-CB 3.41Å; R216-T220 PolarHBondContact O-N 2.67Å; R216-T220 PolarHBondContact O-OG1 2.82Å; V217-T220 PolarHBondContact O-N 2.82Å; V217-T220 VanDerWaalsContact O-N 3.14Å
221F87.1Confident87.8Confident132 Ų13274.7 Ų74.758%0.57940%0.399SS*.Hα-helixtrans-132.8-7.9-170.6-54.1-74.7000114.2V217 M240V217-F221 HydrophobicContact CG1-CD2 4.11Å; V217-F221 PolarHBondContact O-N 3.27Å; F221-M240 HydrophobicContact CB-CE 4.39Å; F221-M240 HydrophobicContact CD1-CE 3.7Å; F221-M240 HydrophobicContact CD2-CE 3.45Å; F221-M240 VanDerWaalsContact CD2-CE 3.45Å; F221-M240 HydrophobicContact CE1-CE 3.71Å; F221-M240 HydrophobicContact CE2-CE 3.46Å; F221-M240 VanDerWaalsContact CE2-CE 3.46Å; F221-M240 HydrophobicContact CG-CE 3.57Å; F221-M240 HydrophobicContact CZ-CE 3.58Å
222G88.4Confident87.7Confident29 Ų2973.5 Ų73.530%0.29939%0.394SS..  trans68.5-155.6-173.300000113.5V217 V218 F237V217-G222 PolarHBondContact O-N 3.24Å; V218-G222 VanDerWaalsContact O-CA 3.28Å; V218-G222 WeakPolarHBondContact O-CA 3.35Å; V218-G222 PolarHBondContact O-N 2.99Å; V218-G222 VanDerWaalsContact O-N 3.12Å; G222-F237 WeakPolarHBondContact O-CD2 3.39Å
223V90.4Very high87.5Confident31 Ų3173 Ų7319%0.18838%0.383CS..  trans-129.4140.3164.7-168.70000106V218 F232 W234 F237 L255V218-V223 HydrophobicContact CG2-CG2 4.12Å; V223-F232 HydrophobicContact CB-CD1 4.06Å; V223-F232 HydrophobicContact CG1-CB 3.93Å; V223-F232 HydrophobicContact CG1-CD1 3.79Å; V223-F232 HydrophobicContact CG1-CG 4.2Å; V223-W234 HydrophobicContact CB-CZ3 4.39Å; V223-W234 HydrophobicContact CG1-CD2 4.41Å; V223-W234 HydrophobicContact CG1-CE3 3.88Å; V223-W234 HydrophobicContact CG1-CH2 3.85Å; V223-W234 HydrophobicContact CG1-CZ2 4.35Å; V223-W234 HydrophobicContact CG1-CZ3 3.59Å; V223-W234 HydrophobicContact CG2-CH2 4.03Å; V223-W234 HydrophobicContact CG2-CZ3 3.82Å; V223-F237 HydrophobicContact CG2-CD2 3.84Å; V223-F237 HydrophobicContact CG2-CE2 3.84Å; V223-F237 HydrophobicContact CG2-CG 4.49Å; V223-F237 HydrophobicContact CG2-CZ 4.49Å; V223-L255 HydrophobicContact CB-CD2 4.43Å; V223-L255 HydrophobicContact CG2-CD1 3.99Å; V223-L255 HydrophobicContact CG2-CD2 4.06Å
224V87.9Confident87.3Confident66 Ų6672 Ų7240%0.438%0.377SS..EExtended strand (participates in β ladder)trans-75.1135.5174.7178.60000108.2F232 D233V224-F232 CarbonylContact O-C 3.59Å; V224-F232 VanDerWaalsContact O-CA 3.26Å; V224-F232 WeakPolarHBondContact O-CA 3.45Å; V224-D233 HydrophobicContact CB-CB 4.19Å; V224-D233 HydrophobicContact CG1-CB 4.36Å; V224-D233 PolarHBondContact O-N 3.24Å
225F88.1Confident87.1Confident99 Ų9976.8 Ų76.843%0.43441%0.407SS..EExtended strand (participates in β ladder)trans-122.5122.1176.2178.2-96.3000108.2P227 Q231 F232F225-P227 WeakPolarHBondContact O-CD 3.25Å; F225-Q231 WeakPolarHBondContact CD2-O 3.39Å; F225-F232 HydrophobicContact CB-CD1 3.86Å; F225-F232 HydrophobicContact CB-CE1 3.91Å; F225-F232 AromaticContact CD2-CD1 3.78Å; F225-F232 HydrophobicContact CD2-CD1 3.78Å; F225-F232 HydrophobicContact CD2-CD2 4.22Å; F225-F232 AromaticContact CD2-CE1 3.66Å; F225-F232 HydrophobicContact CD2-CE1 3.66Å; F225-F232 HydrophobicContact CD2-CE2 4.12Å; F225-F232 HydrophobicContact CD2-CG 4.06Å; F225-F232 AromaticContact CD2-CZ 3.84Å; F225-F232 HydrophobicContact CD2-CZ 3.84Å; F225-F232 HydrophobicContact CE2-CE2 4.47Å; F225-F232 HydrophobicContact CE2-CZ 4.43Å; F225-F232 HydrophobicContact CG-CD1 4.32Å; F225-F232 HydrophobicContact CG-CE1 4.18Å
226D85.3Confident86.8Confident59 Ų5979.1 Ų79.132%0.31642%0.419SS..EExtended strand (participates in β ladder)trans-90.8105.1-178.6-69-11.2000108.2D228 R229 G230 Q231D226-D228 PolarHBondContact O-N 3.17Å; D226-R229 HydrophobicContact CB-CB 4.2Å; D226-R229 PolarHBondContact O-N 2.99Å; D226-R229 VanDerWaalsContact O-N 3.16Å; D226-G230 PolarHBondContact O-N 3.44Å; D226-Q231 PolarHBondContact N-O 3.02Å
227P78.8Confident86.8Confident96 Ų9674.1 Ų74.162%0.62340%0.4SS*.THydrogen-bonded Turntrans-62.8-34.3-173.126.5-34.5000112F225 R229 G230F225-P227 WeakPolarHBondContact O-CD 3.25Å; P227-R229 VanDerWaalsContact C-N 3.25Å; P227-R229 PolarHBondContact O-N 3.13Å; P227-G230 PolarHBondContact O-N 2.75Å
228D78.4Confident86.7Confident157 Ų15776.4 Ų76.484%0.8441%0.408SS*.THydrogen-bonded Turntrans-71.5-19.7-178-44.4-57.9000113D226D226-D228 PolarHBondContact O-N 3.17Å
229R76.4Confident86.5Confident191 Ų19179.3 Ų79.372%0.72143%0.434SS*.THydrogen-bonded Turntrans-106.9-13.4177.1-63.7-175.4178.8-80-2113.1D226 P227 Q231D226-R229 HydrophobicContact CB-CB 4.2Å; D226-R229 PolarHBondContact O-N 2.99Å; D226-R229 VanDerWaalsContact O-N 3.16Å; P227-R229 VanDerWaalsContact C-N 3.25Å; P227-R229 PolarHBondContact O-N 3.13Å; R229-Q231 HydrophobicContact CB-CB 4.49Å; R229-Q231 PolarHBondContact O-N 2.81Å
230G81.1Confident86.5Confident46 Ų4678.2 Ų78.247%0.47442%0.42SS..THydrogen-bonded Turntrans64.621.2-175.100000114.2D226 P227D226-G230 PolarHBondContact O-N 3.44Å; P227-G230 PolarHBondContact O-N 2.75Å
231Q83.4Confident86.6Confident128 Ų12874.1 Ų74.160%0.59839%0.394SS*.EExtended strand (participates in β ladder)trans-133.8163.1-169.6-71.2178.89.700111.9F225 D226 R229F225-Q231 WeakPolarHBondContact CD2-O 3.39Å; D226-Q231 PolarHBondContact N-O 3.02Å; R229-Q231 HydrophobicContact CB-CB 4.49Å; R229-Q231 PolarHBondContact O-N 2.81Å
232F86.9Confident86.7Confident35 Ų3576.8 Ų76.815%0.15440%0.4CS..EExtended strand (participates in β ladder)trans-93.4131.4177.5-66.1-81.8000111.9V223 V224 F225 W234 E252 L255 Y256V223-F232 HydrophobicContact CB-CD1 4.06Å; V223-F232 HydrophobicContact CG1-CB 3.93Å; V223-F232 HydrophobicContact CG1-CD1 3.79Å; V223-F232 HydrophobicContact CG1-CG 4.2Å; V224-F232 CarbonylContact O-C 3.59Å; V224-F232 VanDerWaalsContact O-CA 3.26Å; V224-F232 WeakPolarHBondContact O-CA 3.45Å; F225-F232 HydrophobicContact CB-CD1 3.86Å; F225-F232 HydrophobicContact CB-CE1 3.91Å; F225-F232 AromaticContact CD2-CD1 3.78Å; F225-F232 HydrophobicContact CD2-CD1 3.78Å; F225-F232 HydrophobicContact CD2-CD2 4.22Å; F225-F232 AromaticContact CD2-CE1 3.66Å; F225-F232 HydrophobicContact CD2-CE1 3.66Å; F225-F232 HydrophobicContact CD2-CE2 4.12Å; F225-F232 HydrophobicContact CD2-CG 4.06Å; F225-F232 AromaticContact CD2-CZ 3.84Å; F225-F232 HydrophobicContact CD2-CZ 3.84Å; F225-F232 HydrophobicContact CE2-CE2 4.47Å; F225-F232 HydrophobicContact CE2-CZ 4.43Å; F225-F232 HydrophobicContact CG-CD1 4.32Å; F225-F232 HydrophobicContact CG-CE1 4.18Å; F232-W234 HydrophobicContact CB-CD2 4.37Å; F232-W234 HydrophobicContact CB-CZ2 3.83Å; F232-W234 HydrophobicContact CD2-CZ2 4.17Å; F232-W234 HydrophobicContact CG-CZ2 4.06Å; F232-W234 VanDerWaalsContact O-CD1 3.31Å; F232-W234 PolarHBondContact O-N 3.05Å; F232-W234 VanDerWaalsContact O-N 3.1Å; F232-E252 HydrophobicContact CD2-CG 4.23Å; F232-E252 HydrophobicContact CE2-CG 4.3Å; F232-L255 HydrophobicContact CD1-CD2 4Å; F232-L255 HydrophobicContact CD2-CD2 4.27Å; F232-L255 HydrophobicContact CE1-CD2 3.6Å; F232-L255 HydrophobicContact CE2-CD2 3.89Å; F232-L255 HydrophobicContact CG-CD2 4.33Å; F232-L255 HydrophobicContact CZ-CD2 3.54Å; F232-Y256 HydrophobicContact CE2-CE1 4.4Å
233D87.4Confident86.7Confident44 Ų4475.6 Ų75.624%0.23539%0.387CS..EExtended strand (participates in β ladder)trans-72.9104.1164.9172.946.9000110V224 T235 K236V224-D233 HydrophobicContact CB-CB 4.19Å; V224-D233 HydrophobicContact CG1-CB 4.36Å; V224-D233 PolarHBondContact O-N 3.24Å; D233-T235 VanDerWaalsContact C-N 3.35Å; D233-T235 WeakPolarHBondContact OD1-CA 3.47Å; D233-T235 WeakPolarHBondContact OD1-CB 3.42Å; D233-T235 PolarHBondContact OD1-N 3.41Å; D233-T235 PolarHBondContact OD1-OG1 3.47Å; D233-K236 PolarHBondContact OD2-N 2.76Å
234W90.5Very high86.5Confident5 Ų580.5 Ų80.52%0.01941%0.408CS..Hα-helixtrans-82.8-9.2172.6-65.4110.1000113.5F214 V223 F232 F237 R238 D248 L251 E252 L255F214-W234 HydrophobicContact CE2-CZ3 4.49Å; V223-W234 HydrophobicContact CB-CZ3 4.39Å; V223-W234 HydrophobicContact CG1-CD2 4.41Å; V223-W234 HydrophobicContact CG1-CE3 3.88Å; V223-W234 HydrophobicContact CG1-CH2 3.85Å; V223-W234 HydrophobicContact CG1-CZ2 4.35Å; V223-W234 HydrophobicContact CG1-CZ3 3.59Å; V223-W234 HydrophobicContact CG2-CH2 4.03Å; V223-W234 HydrophobicContact CG2-CZ3 3.82Å; F232-W234 HydrophobicContact CB-CD2 4.37Å; F232-W234 HydrophobicContact CB-CZ2 3.83Å; F232-W234 HydrophobicContact CD2-CZ2 4.17Å; F232-W234 HydrophobicContact CG-CZ2 4.06Å; F232-W234 VanDerWaalsContact O-CD1 3.31Å; F232-W234 PolarHBondContact O-N 3.05Å; F232-W234 VanDerWaalsContact O-N 3.1Å; W234-F237 HydrophobicContact CE3-CB 4.06Å; W234-F237 AromaticContact CE3-CD1 3.62Å; W234-F237 HydrophobicContact CE3-CD1 3.62Å; W234-F237 HydrophobicContact CE3-CE1 4.29Å; W234-F237 AromaticContact CE3-CG 3.95Å; W234-F237 HydrophobicContact CE3-CG 3.95Å; W234-F237 AromaticContact CZ3-CD1 3.67Å; W234-F237 HydrophobicContact CZ3-CD1 3.67Å; W234-F237 AromaticContact CZ3-CE1 3.91Å; W234-F237 HydrophobicContact CZ3-CE1 3.91Å; W234-F237 HydrophobicContact CZ3-CG 4.02Å; W234-F237 HydrophobicContact CZ3-CZ 4.47Å; W234-F237 PolarHBondContact O-N 3.38Å; W234-R238 HydrophobicContact CB-CG 4.46Å; W234-R238 WeakPolarHBondContact O-CB 3.17Å; W234-R238 WeakPolarHBondContact O-CG 3.31Å; W234-R238 PolarHBondContact O-N 2.68Å; W234-D248 WeakPolarHBondContact CB-OD1 3.35Å; W234-L251 HydrophobicContact CB-CD1 3.95Å; W234-L251 HydrophobicContact CD2-CB 3.65Å; W234-L251 HydrophobicContact CD2-CD1 3.74Å; W234-L251 HydrophobicContact CD2-CG 4.33Å; W234-L251 HydrophobicContact CE3-CB 3.64Å; W234-L251 HydrophobicContact CE3-CD1 3.66Å; W234-L251 HydrophobicContact CE3-CG 4.19Å; W234-L251 HydrophobicContact CG-CB 4.4Å; W234-L251 HydrophobicContact CG-CD1 3.87Å; W234-L251 HydrophobicContact CH2-CB 3.8Å; W234-L251 HydrophobicContact CZ2-CB 3.84Å; W234-L251 HydrophobicContact CZ3-CB 3.71Å; W234-L251 HydrophobicContact CZ3-CD1 4.45Å; W234-E252 HydrophobicContact CZ2-CB 3.86Å; W234-L255 HydrophobicContact CH2-CB 3.97Å; W234-L255 HydrophobicContact CH2-CD2 3.84Å; W234-L255 HydrophobicContact CH2-CG 4.42Å; W234-L255 HydrophobicContact CZ2-CD2 4.25Å
235T88.6Confident86.3Confident100 Ų10083.3 Ų83.361%0.61342%0.415SS*.Hα-helixtrans-63.3-56-173.7-480000110.8D233 F237 R238 A239D233-T235 VanDerWaalsContact C-N 3.35Å; D233-T235 WeakPolarHBondContact OD1-CA 3.47Å; D233-T235 WeakPolarHBondContact OD1-CB 3.42Å; D233-T235 PolarHBondContact OD1-N 3.41Å; D233-T235 PolarHBondContact OD1-OG1 3.47Å; T235-F237 VanDerWaalsContact C-N 3.34Å; T235-F237 PolarHBondContact O-N 2.86Å; T235-R238 PolarHBondContact O-N 2.84Å; T235-A239 PolarHBondContact O-N 3.19Å
236K86.8Confident86.3Confident133 Ų13378.9 Ų78.958%0.57840%0.395SS*.Hα-helixtrans-63.1-41.5176.8-169.3172.8-176.5175.10111.6D233 A239 M240D233-K236 PolarHBondContact OD2-N 2.76Å; K236-A239 PolarHBondContact O-N 3.26Å; K236-M240 HydrophobicContact CG-SD 4.06Å; K236-M240 WeakPolarHBondContact O-CG 3.46Å; K236-M240 PolarHBondContact O-N 3.16Å
237F92.8Very high86.4Confident6 Ų679.4 Ų79.43%0.02640%0.401CS..Hα-helixtrans-63.8-44.9179.8-171.9-92.5000112.7F214 V217 V218 G222 V223 W234 T235 A239 M240 A241 L243F214-F237 AromaticContact CD2-CE1 3.49Å; F214-F237 HydrophobicContact CD2-CE1 3.49Å; F214-F237 VanDerWaalsContact CD2-CE1 3.49Å; F214-F237 AromaticContact CD2-CZ 3.54Å; F214-F237 HydrophobicContact CD2-CZ 3.54Å; F214-F237 AromaticContact CE2-CE1 3.6Å; F214-F237 HydrophobicContact CE2-CE1 3.6Å; F214-F237 AromaticContact CE2-CZ 3.61Å; F214-F237 HydrophobicContact CE2-CZ 3.61Å; F214-F237 HydrophobicContact CG-CE1 4.34Å; F214-F237 HydrophobicContact CG-CZ 4.01Å; F214-F237 HydrophobicContact CZ-CZ 4.13Å; V217-F237 HydrophobicContact CB-CE2 4.01Å; V217-F237 HydrophobicContact CB-CZ 4.41Å; V217-F237 HydrophobicContact CG1-CD2 3.61Å; V217-F237 HydrophobicContact CG1-CE2 3.57Å; V217-F237 HydrophobicContact CG1-CG 4.42Å; V217-F237 HydrophobicContact CG1-CZ 4.34Å; V218-F237 HydrophobicContact CB-CE2 4Å; V218-F237 HydrophobicContact CB-CZ 4.26Å; G222-F237 WeakPolarHBondContact O-CD2 3.39Å; V223-F237 HydrophobicContact CG2-CD2 3.84Å; V223-F237 HydrophobicContact CG2-CE2 3.84Å; V223-F237 HydrophobicContact CG2-CG 4.49Å; V223-F237 HydrophobicContact CG2-CZ 4.49Å; W234-F237 HydrophobicContact CE3-CB 4.06Å; W234-F237 AromaticContact CE3-CD1 3.62Å; W234-F237 HydrophobicContact CE3-CD1 3.62Å; W234-F237 HydrophobicContact CE3-CE1 4.29Å; W234-F237 AromaticContact CE3-CG 3.95Å; W234-F237 HydrophobicContact CE3-CG 3.95Å; W234-F237 AromaticContact CZ3-CD1 3.67Å; W234-F237 HydrophobicContact CZ3-CD1 3.67Å; W234-F237 AromaticContact CZ3-CE1 3.91Å; W234-F237 HydrophobicContact CZ3-CE1 3.91Å; W234-F237 HydrophobicContact CZ3-CG 4.02Å; W234-F237 HydrophobicContact CZ3-CZ 4.47Å; W234-F237 PolarHBondContact O-N 3.38Å; T235-F237 VanDerWaalsContact C-N 3.34Å; T235-F237 PolarHBondContact O-N 2.86Å; F237-A239 VanDerWaalsContact C-N 3.34Å; F237-A239 PolarHBondContact O-N 2.81Å; F237-M240 PolarHBondContact O-N 2.67Å; F237-A241 HydrophobicContact CD1-CB 4.32Å; F237-A241 HydrophobicContact CE1-CB 4.08Å; F237-A241 HydrophobicContact CZ-CB 4.45Å; F237-A241 VanDerWaalsContact O-CB 3.25Å; F237-A241 WeakPolarHBondContact O-CB 3.1Å; F237-A241 PolarHBondContact O-N 2.76Å; F237-L243 HydrophobicContact CE1-CD1 4.03Å
238R92.5Very high86.9Confident52 Ų5278.1 Ų78.120%0.19639%0.389CS..Hα-helixtrans-59.8-41.3176.8-81.7170.4169.4133.4-2.9112.3W234 T235 R242 L243 K246 D248 L251W234-R238 HydrophobicContact CB-CG 4.46Å; W234-R238 WeakPolarHBondContact O-CB 3.17Å; W234-R238 WeakPolarHBondContact O-CG 3.31Å; W234-R238 PolarHBondContact O-N 2.68Å; T235-R238 PolarHBondContact O-N 2.84Å; R238-R242 CarbonylContact O-C 3.58Å; R238-R242 WeakPolarHBondContact O-CA 3.29Å; R238-R242 PolarHBondContact O-N 2.76Å; R238-L243 PolarHBondContact O-N 3.45Å; R238-K246 PolarHBondContact NE-O 3.14Å; R238-K246 PolarHBondContact NH2-O 2.99Å; R238-D248 IonicContact CZ-OD1 2.76Å; R238-D248 VanDerWaalsContact CZ-OD1 3.23Å; R238-D248 IonicContact CZ-OD2 2.86Å; R238-D248 IonicContact NH1-OD1 3.67Å; R238-D248 PolarHBondContact NH1-OD1 2.98Å; R238-D248 IonicContact NH1-OD2 2.9Å; R238-D248 PolarHBondContact NH1-OD2 3.33Å; R238-D248 IonicContact NH2-OD1 2.75Å; R238-D248 PolarHBondContact NH2-OD1 2.84Å; R238-D248 VanDerWaalsContact NH2-OD1 3.13Å; R238-D248 IonicContact NH2-OD2 2.79Å; R238-D248 PolarHBondContact NH2-OD2 3.45Å; R238-L251 HydrophobicContact CG-CD1 3.85Å
239A89.4Confident87.3Confident78 Ų7874.6 Ų74.665%0.64537%0.37SS*.Hα-helixtrans-62.2-50.9177.100000110.8T235 K236 F237 R242T235-A239 PolarHBondContact O-N 3.19Å; K236-A239 PolarHBondContact O-N 3.26Å; F237-A239 VanDerWaalsContact C-N 3.34Å; F237-A239 PolarHBondContact O-N 2.81Å; A239-R242 PolarHBondContact O-N 3.23Å
240M87.5Confident87.9Confident69 Ų6966.4 Ų66.434%0.3434%0.342SS..Hα-helixtrans-70.1-38.9-176.7-62.7177.28000113.3V217 F221 K236 F237 R242V217-M240 HydrophobicContact CG1-CB 3.94Å; V217-M240 HydrophobicContact CG2-CB 4.16Å; F221-M240 HydrophobicContact CB-CE 4.39Å; F221-M240 HydrophobicContact CD1-CE 3.7Å; F221-M240 HydrophobicContact CD2-CE 3.45Å; F221-M240 VanDerWaalsContact CD2-CE 3.45Å; F221-M240 HydrophobicContact CE1-CE 3.71Å; F221-M240 HydrophobicContact CE2-CE 3.46Å; F221-M240 VanDerWaalsContact CE2-CE 3.46Å; F221-M240 HydrophobicContact CG-CE 3.57Å; F221-M240 HydrophobicContact CZ-CE 3.58Å; K236-M240 HydrophobicContact CG-SD 4.06Å; K236-M240 WeakPolarHBondContact O-CG 3.46Å; K236-M240 PolarHBondContact O-N 3.16Å; F237-M240 PolarHBondContact O-N 2.67Å; M240-R242 VanDerWaalsContact C-N 3.32Å
241A90.8Very high88.3Confident0 Ų064.2 Ų64.20%032%0.319CS..Hα-helixtrans-85.3-6.3177.400000112.7D213 V217 F237 L243D213-A241 WeakPolarHBondContact CB-O 3.4Å; V217-A241 HydrophobicContact CB-CB 4.09Å; V217-A241 HydrophobicContact CG1-CB 4.43Å; V217-A241 HydrophobicContact CG2-CB 3.89Å; F237-A241 HydrophobicContact CD1-CB 4.32Å; F237-A241 HydrophobicContact CE1-CB 4.08Å; F237-A241 HydrophobicContact CZ-CB 4.45Å; F237-A241 VanDerWaalsContact O-CB 3.25Å; F237-A241 WeakPolarHBondContact O-CB 3.1Å; F237-A241 PolarHBondContact O-N 2.76Å; A241-L243 HydrophobicContact CB-CB 4.36Å; A241-L243 HydrophobicContact CB-CD1 3.69Å; A241-L243 HydrophobicContact CB-CG 3.68Å; A241-L243 PolarHBondContact O-N 3.33Å
242R88.9Confident88.7Confident188 Ų18860.5 Ų60.571%0.70930%0.302SS*.THydrogen-bonded Turntrans60.819.7-174.6-46.8175.971.9167.86.3113.5R238 A239 M240 H244R238-R242 CarbonylContact O-C 3.58Å; R238-R242 WeakPolarHBondContact O-CA 3.29Å; R238-R242 PolarHBondContact O-N 2.76Å; A239-R242 PolarHBondContact O-N 3.23Å; M240-R242 VanDerWaalsContact C-N 3.32Å; R242-H244 VanDerWaalsContact C-N 3.25Å; R242-H244 PolarHBondContact O-N 3.16Å; R242-H244 PolarHBondContact O-ND1 3.42Å
243L89.6Confident88.8Confident5 Ų565.4 Ų65.43%0.02632%0.323CS..  trans-85.527.9-173.3-63.5177.4000114.6W206 E210 F214 F237 R238 A241 K245 K246 L251W206-L243 HydrophobicContact CH2-CD1 4.04Å; W206-L243 HydrophobicContact CZ3-CD1 4Å; W206-L243 HydrophobicContact CZ3-CD2 4.33Å; E210-L243 HydrophobicContact CB-CD2 3.62Å; E210-L243 HydrophobicContact CG-CD2 3.77Å; F214-L243 HydrophobicContact CB-CD1 4.04Å; F214-L243 HydrophobicContact CD2-CD1 3.83Å; F214-L243 HydrophobicContact CG-CD1 4.45Å; F237-L243 HydrophobicContact CE1-CD1 4.03Å; R238-L243 PolarHBondContact O-N 3.45Å; A241-L243 HydrophobicContact CB-CB 4.36Å; A241-L243 HydrophobicContact CB-CD1 3.69Å; A241-L243 HydrophobicContact CB-CG 3.68Å; A241-L243 PolarHBondContact O-N 3.33Å; L243-K245 PolarHBondContact O-N 2.84Å; L243-K246 HydrophobicContact CB-CG 4.16Å; L243-K246 HydrophobicContact CD2-CG 4.38Å; L243-K246 PolarHBondContact O-N 3.32Å; L243-L251 HydrophobicContact CB-CD2 4.24Å; L243-L251 HydrophobicContact CD1-CD2 3.82Å
244H85.4Confident89Confident134 Ų13464.8 Ų64.862%0.6232%0.318SS*.THydrogen-bonded Turntrans-51.51175.169.8-72.7000117.2R242R242-H244 VanDerWaalsContact C-N 3.25Å; R242-H244 PolarHBondContact O-N 3.16Å; R242-H244 PolarHBondContact O-ND1 3.42Å
245K84.6Confident89Confident125 Ų12564.9 Ų64.954%0.54332%0.319SS..THydrogen-bonded Turntrans-113.20.7177.9-55-168.6-178.3-171.10113.7Q203 L243Q203-K245 PolarHBondContact NE2-O 3.11Å; L243-K245 PolarHBondContact O-N 2.84Å
246K87.8Confident89.1Confident5 Ų565.7 Ų65.72%0.02231%0.311CS..SBendtrans-102.4130.8179.4-58.6-66.4179.2178.80109.2Q203 R205 W206 E210 R238 L243 S250 L251Q203-K246 VanDerWaalsContact O-CD 3.28Å; Q203-K246 WeakPolarHBondContact O-CD 3.36Å; Q203-K246 PolarHBondContact O-NZ 3.18Å; R205-K246 PolarHBondContact O-NZ 3Å; W206-K246 HydrophobicContact CH2-CG 4.42Å; W206-K246 HydrophobicContact CZ2-CD 4.28Å; E210-K246 VanDerWaalsContact CD-CE 3.46Å; E210-K246 WeakPolarHBondContact OE1-CE 3.35Å; E210-K246 IonicContact OE1-NZ 3.41Å; E210-K246 PolarHBondContact OE1-NZ 3.21Å; E210-K246 IonicContact OE2-NZ 2.7Å; E210-K246 PolarHBondContact OE2-NZ 3.26Å; R238-K246 PolarHBondContact NE-O 3.14Å; R238-K246 PolarHBondContact NH2-O 2.99Å; L243-K246 HydrophobicContact CB-CG 4.16Å; L243-K246 HydrophobicContact CD2-CG 4.38Å; L243-K246 PolarHBondContact O-N 3.32Å; K246-S250 WeakPolarHBondContact CB-OG 3.48Å; K246-L251 HydrophobicContact CB-CD1 4.28Å; K246-L251 HydrophobicContact CB-CD2 3.57Å; K246-L251 HydrophobicContact CB-CG 3.75Å; K246-L251 HydrophobicContact CG-CD2 4.03Å
247T86.7Confident89.2Confident71 Ų7162 Ų6244%0.43631%0.306SS..  trans-71159.3171.759.40000110.3S250 L251T247-S250 PolarHBondContact N-OG 3.03Å; T247-S250 WeakPolarHBondContact O-CA 3.44Å; T247-S250 WeakPolarHBondContact O-CB 3.18Å; T247-S250 PolarHBondContact O-N 2.88Å; T247-S250 PolarHBondContact O-OG 3.22Å; T247-S250 WeakPolarHBondContact OG1-CB 3.35Å; T247-S250 PolarHBondContact OG1-N 3.21Å; T247-S250 PolarHBondContact OG1-OG 2.65Å; T247-L251 PolarHBondContact O-N 3.07Å
248D89.3Confident89.1Confident68 Ų6863.9 Ų63.936%0.36431%0.314SS..Hα-helixtrans-59.2-51.6-174.6-57.8-86.9000110.8W234 R238 S250 L251 E252W234-D248 WeakPolarHBondContact CB-OD1 3.35Å; R238-D248 IonicContact CZ-OD1 2.76Å; R238-D248 VanDerWaalsContact CZ-OD1 3.23Å; R238-D248 IonicContact CZ-OD2 2.86Å; R238-D248 IonicContact NH1-OD1 3.67Å; R238-D248 PolarHBondContact NH1-OD1 2.98Å; R238-D248 IonicContact NH1-OD2 2.9Å; R238-D248 PolarHBondContact NH1-OD2 3.33Å; R238-D248 IonicContact NH2-OD1 2.75Å; R238-D248 PolarHBondContact NH2-OD1 2.84Å; R238-D248 VanDerWaalsContact NH2-OD1 3.13Å; R238-D248 IonicContact NH2-OD2 2.79Å; R238-D248 PolarHBondContact NH2-OD2 3.45Å; D248-S250 PolarHBondContact O-N 3.49Å; D248-L251 WeakPolarHBondContact O-CA 3.44Å; D248-L251 WeakPolarHBondContact O-CB 3.37Å; D248-L251 PolarHBondContact O-N 3.03Å; D248-E252 WeakPolarHBondContact O-CB 3.39Å; D248-E252 PolarHBondContact O-N 3.37Å
249D86.7Confident88.9Confident84 Ų8464.8 Ų64.845%0.44932%0.321SS..Hα-helixtrans-63.6-22.6174.440.8-67.6000113.5K253D249-K253 WeakPolarHBondContact O-CB 3.29Å; D249-K253 WeakPolarHBondContact O-CD 3.28Å; D249-K253 WeakPolarHBondContact O-CG 3.28Å; D249-K253 PolarHBondContact O-N 2.71Å; D249-K253 IonicContact OD2-NZ 3.47Å
250S88.8Confident88.8Confident18 Ų1863.7 Ų63.713%0.12631%0.308CS..Hα-helixtrans-78-28.3171.678.60000113.4K246 T247 D248 Y254K246-S250 WeakPolarHBondContact CB-OG 3.48Å; T247-S250 PolarHBondContact N-OG 3.03Å; T247-S250 WeakPolarHBondContact O-CA 3.44Å; T247-S250 WeakPolarHBondContact O-CB 3.18Å; T247-S250 PolarHBondContact O-N 2.88Å; T247-S250 PolarHBondContact O-OG 3.22Å; T247-S250 WeakPolarHBondContact OG1-CB 3.35Å; T247-S250 PolarHBondContact OG1-N 3.21Å; T247-S250 PolarHBondContact OG1-OG 2.65Å; D248-S250 PolarHBondContact O-N 3.49Å; S250-Y254 WeakPolarHBondContact O-CB 3.39Å
251L90.3Very high88.7Confident0 Ų064.9 Ų64.90%031%0.314CS..Hα-helixtrans-77.4-42.6172.7-66.7172.5000110.5W206 F214 W234 R238 L243 K246 T247 D248 Y254 L255W206-L251 HydrophobicContact CH2-CD2 3.83Å; W206-L251 HydrophobicContact CZ2-CD2 4.25Å; F214-L251 HydrophobicContact CD2-CD2 4.48Å; F214-L251 HydrophobicContact CE2-CD2 4.49Å; W234-L251 HydrophobicContact CB-CD1 3.95Å; W234-L251 HydrophobicContact CD2-CB 3.65Å; W234-L251 HydrophobicContact CD2-CD1 3.74Å; W234-L251 HydrophobicContact CD2-CG 4.33Å; W234-L251 HydrophobicContact CE3-CB 3.64Å; W234-L251 HydrophobicContact CE3-CD1 3.66Å; W234-L251 HydrophobicContact CE3-CG 4.19Å; W234-L251 HydrophobicContact CG-CB 4.4Å; W234-L251 HydrophobicContact CG-CD1 3.87Å; W234-L251 HydrophobicContact CH2-CB 3.8Å; W234-L251 HydrophobicContact CZ2-CB 3.84Å; W234-L251 HydrophobicContact CZ3-CB 3.71Å; W234-L251 HydrophobicContact CZ3-CD1 4.45Å; R238-L251 HydrophobicContact CG-CD1 3.85Å; L243-L251 HydrophobicContact CB-CD2 4.24Å; L243-L251 HydrophobicContact CD1-CD2 3.82Å; K246-L251 HydrophobicContact CB-CD1 4.28Å; K246-L251 HydrophobicContact CB-CD2 3.57Å; K246-L251 HydrophobicContact CB-CG 3.75Å; K246-L251 HydrophobicContact CG-CD2 4.03Å; T247-L251 PolarHBondContact O-N 3.07Å; D248-L251 WeakPolarHBondContact O-CA 3.44Å; D248-L251 WeakPolarHBondContact O-CB 3.37Å; D248-L251 PolarHBondContact O-N 3.03Å; L251-Y254 CarbonylContact O-C 3.41Å; L251-Y254 PolarHBondContact O-N 3.02Å; L251-L255 WeakPolarHBondContact O-CB 3.25Å; L251-L255 PolarHBondContact O-N 2.68Å
252E91Very high88.4Confident50 Ų5067.2 Ų67.223%0.23433%0.33CS..Hα-helixtrans-67.2-45.7178.6-176.8173.5-169.400112.4F232 W234 D248 Y254 L255 Y256F232-E252 HydrophobicContact CD2-CG 4.23Å; F232-E252 HydrophobicContact CE2-CG 4.3Å; W234-E252 HydrophobicContact CZ2-CB 3.86Å; D248-E252 WeakPolarHBondContact O-CB 3.39Å; D248-E252 PolarHBondContact O-N 3.37Å; E252-Y254 PolarHBondContact O-N 3.39Å; E252-L255 CarbonylContact O-C 3.2Å; E252-L255 WeakPolarHBondContact O-CB 3.44Å; E252-L255 PolarHBondContact O-N 3.18Å; E252-Y256 HydrophobicContact CG-CD2 3.8Å; E252-Y256 HydrophobicContact CG-CE2 3.29Å; E252-Y256 WeakPolarHBondContact O-CD2 3.17Å; E252-Y256 PolarHBondContact O-N 3.48Å; E252-Y256 WeakPolarHBondContact OE1-CE2 3.34Å; E252-Y256 VanDerWaalsContact OE1-CZ 3.22Å; E252-Y256 PolarHBondContact OE1-OH 2.99Å
253K89.8Confident88.3Confident138 Ų13862.8 Ų62.860%0.631%0.314SS*.Hα-helixtrans-58.8-34.4173-72.1163.2-168.9160.70111.7D249 A257D249-K253 WeakPolarHBondContact O-CB 3.29Å; D249-K253 WeakPolarHBondContact O-CD 3.28Å; D249-K253 WeakPolarHBondContact O-CG 3.28Å; D249-K253 PolarHBondContact O-N 2.71Å; D249-K253 IonicContact OD2-NZ 3.47Å; K253-A257 WeakPolarHBondContact O-CB 3.43Å; K253-A257 PolarHBondContact O-N 3.33Å; K253-A257 VanDerWaalsContact O-N 3.15Å
254Y91Very high88.1Confident32 Ų3270.6 Ų70.613%0.12534%0.343CS..Hα-helixtrans-74.7-35.8174.7-158.7-97.8000112.4W206 E211 F214 Y215 S250 L251 E252 A257 F258W206-Y254 HydrophobicContact CB-CE2 4.41Å; W206-Y254 AromaticContact CD1-CD2 3.8Å; W206-Y254 AromaticContact CD1-CE2 3.93Å; W206-Y254 AromaticContact CD2-CD2 3.75Å; W206-Y254 HydrophobicContact CD2-CD2 3.75Å; W206-Y254 AromaticContact CD2-CE2 3.69Å; W206-Y254 HydrophobicContact CD2-CE2 3.69Å; W206-Y254 HydrophobicContact CD2-CG 4.19Å; W206-Y254 AromaticContact CE2-CD2 3.41Å; W206-Y254 VanDerWaalsContact CE2-CD2 3.41Å; W206-Y254 AromaticContact CE2-CE2 3.89Å; W206-Y254 AromaticContact CE2-CG 3.63Å; W206-Y254 HydrophobicContact CE3-CD1 4.5Å; W206-Y254 HydrophobicContact CE3-CD2 4.43Å; W206-Y254 HydrophobicContact CE3-CE1 4.28Å; W206-Y254 HydrophobicContact CE3-CE2 4.2Å; W206-Y254 HydrophobicContact CG-CD2 4.02Å; W206-Y254 AromaticContact CG-CE2 3.76Å; W206-Y254 HydrophobicContact CG-CE2 3.76Å; W206-Y254 AromaticContact CH2-CD1 3.91Å; W206-Y254 HydrophobicContact CH2-CD1 3.91Å; W206-Y254 HydrophobicContact CH2-CD2 4.49Å; W206-Y254 HydrophobicContact CH2-CE1 4.41Å; W206-Y254 AromaticContact CH2-CG 3.95Å; W206-Y254 HydrophobicContact CH2-CG 3.95Å; W206-Y254 AromaticContact CZ2-CD1 3.98Å; W206-Y254 HydrophobicContact CZ2-CD1 3.98Å; W206-Y254 AromaticContact CZ2-CD2 3.84Å; W206-Y254 HydrophobicContact CZ2-CD2 3.84Å; W206-Y254 AromaticContact CZ2-CG 3.51Å; W206-Y254 HydrophobicContact CZ2-CG 3.51Å; W206-Y254 HydrophobicContact CZ3-CD1 4.19Å; W206-Y254 HydrophobicContact CZ3-CE1 4.23Å; W206-Y254 HydrophobicContact CZ3-CG 4.47Å; W206-Y254 AromaticContact NE1-CD2 3.44Å; E211-Y254 WeakPolarHBondContact CG-OH 3.22Å; E211-Y254 PolarHBondContact OE1-OH 3.13Å; F214-Y254 HydrophobicContact CB-CE1 4.45Å; F214-Y254 AromaticContact CD1-CD1 3.74Å; F214-Y254 HydrophobicContact CD1-CD1 3.74Å; F214-Y254 AromaticContact CD1-CE1 3.75Å; F214-Y254 HydrophobicContact CD1-CE1 3.75Å; F214-Y254 AromaticContact CD2-CD1 3.99Å; F214-Y254 HydrophobicContact CD2-CD1 3.99Å; F214-Y254 AromaticContact CE1-CD1 3.7Å; F214-Y254 HydrophobicContact CE1-CD1 3.7Å; F214-Y254 HydrophobicContact CE1-CE1 4.11Å; F214-Y254 AromaticContact CE2-CD1 3.95Å; F214-Y254 HydrophobicContact CE2-CD1 3.95Å; F214-Y254 AromaticContact CG-CD1 3.91Å; F214-Y254 HydrophobicContact CG-CD1 3.91Å; F214-Y254 AromaticContact CG-CE1 3.99Å; F214-Y254 HydrophobicContact CG-CE1 3.99Å; F214-Y254 AromaticContact CZ-CD1 3.82Å; F214-Y254 HydrophobicContact CZ-CD1 3.82Å; Y215-Y254 HydrophobicContact CE1-CE1 4.07Å; Y215-Y254 PolarHBondContact OH-OH 2.82Å; S250-Y254 WeakPolarHBondContact O-CB 3.39Å; L251-Y254 CarbonylContact O-C 3.41Å; L251-Y254 PolarHBondContact O-N 3.02Å; E252-Y254 PolarHBondContact O-N 3.39Å; Y254-A257 PolarHBondContact O-N 2.88Å; Y254-F258 WeakPolarHBondContact O-CB 3.34Å; Y254-F258 PolarHBondContact O-N 2.67Å
255L91Very high88.1Confident7 Ų769.5 Ų69.54%0.03735%0.345CS..Hα-helixtrans-64.5-46.9173.5-177.367.6000111.8F214 V218 V223 F232 W234 L251 E252 A257 F258 M259F214-L255 HydrophobicContact CZ-CB 4.18Å; F214-L255 HydrophobicContact CZ-CD1 4.21Å; V218-L255 HydrophobicContact CG2-CD1 3.88Å; V223-L255 HydrophobicContact CB-CD2 4.43Å; V223-L255 HydrophobicContact CG2-CD1 3.99Å; V223-L255 HydrophobicContact CG2-CD2 4.06Å; F232-L255 HydrophobicContact CD1-CD2 4Å; F232-L255 HydrophobicContact CD2-CD2 4.27Å; F232-L255 HydrophobicContact CE1-CD2 3.6Å; F232-L255 HydrophobicContact CE2-CD2 3.89Å; F232-L255 HydrophobicContact CG-CD2 4.33Å; F232-L255 HydrophobicContact CZ-CD2 3.54Å; W234-L255 HydrophobicContact CH2-CB 3.97Å; W234-L255 HydrophobicContact CH2-CD2 3.84Å; W234-L255 HydrophobicContact CH2-CG 4.42Å; W234-L255 HydrophobicContact CZ2-CD2 4.25Å; L251-L255 WeakPolarHBondContact O-CB 3.25Å; L251-L255 PolarHBondContact O-N 2.68Å; E252-L255 CarbonylContact O-C 3.2Å; E252-L255 WeakPolarHBondContact O-CB 3.44Å; E252-L255 PolarHBondContact O-N 3.18Å; L255-A257 VanDerWaalsContact C-N 3.35Å; L255-A257 PolarHBondContact O-N 3.31Å; L255-F258 HydrophobicContact CD1-CD1 4.41Å; L255-F258 CarbonylContact O-C 3.59Å; L255-F258 WeakPolarHBondContact O-CB 3.48Å; L255-F258 PolarHBondContact O-N 3.02Å; L255-M259 HydrophobicContact CD1-CG 4.39Å; L255-M259 HydrophobicContact CD1-SD 4.37Å; L255-M259 HydrophobicContact CD2-SD 4.36Å; L255-M259 HydrophobicContact CG-CG 4.39Å; L255-M259 HydrophobicContact CG-SD 3.94Å; L255-M259 WeakPolarHBondContact O-CB 3.29Å; L255-M259 VanDerWaalsContact O-CG 3.3Å; L255-M259 WeakPolarHBondContact O-CG 3.38Å; L255-M259 PolarHBondContact O-N 2.89Å
256Y91.1Very high88.1Confident116 Ų11667.6 Ų67.646%0.45535%0.347SS..Hα-helixtrans-64.2-39175.7-68.4-47.1000112.1F232 E252 F258 M259 S260F232-Y256 HydrophobicContact CE2-CE1 4.4Å; E252-Y256 HydrophobicContact CG-CD2 3.8Å; E252-Y256 HydrophobicContact CG-CE2 3.29Å; E252-Y256 WeakPolarHBondContact O-CD2 3.17Å; E252-Y256 PolarHBondContact O-N 3.48Å; E252-Y256 WeakPolarHBondContact OE1-CE2 3.34Å; E252-Y256 VanDerWaalsContact OE1-CZ 3.22Å; E252-Y256 PolarHBondContact OE1-OH 2.99Å; Y256-F258 VanDerWaalsContact C-N 3.33Å; Y256-F258 PolarHBondContact O-N 3Å; Y256-M259 HydrophobicContact CD1-SD 4.41Å; Y256-M259 PolarHBondContact O-N 3.23Å; Y256-S260 VanDerWaalsContact O-CB 3.24Å; Y256-S260 WeakPolarHBondContact O-CB 3.36Å; Y256-S260 PolarHBondContact O-N 3.29Å
257A89.3Confident87.9Confident56 Ų5678.4 Ų78.446%0.46339%0.388SS..Hα-helixtrans-61.5-40.9172.800000112.1K253 Y254 L255 M261K253-A257 WeakPolarHBondContact O-CB 3.43Å; K253-A257 PolarHBondContact O-N 3.33Å; K253-A257 VanDerWaalsContact O-N 3.15Å; Y254-A257 PolarHBondContact O-N 2.88Å; L255-A257 VanDerWaalsContact C-N 3.35Å; L255-A257 PolarHBondContact O-N 3.31Å; A257-M261 WeakPolarHBondContact O-CB 3.39Å; A257-M261 PolarHBondContact O-N 3.06Å
258F90.3Very high87.4Confident46 Ų4679.5 Ų79.520%0.20239%0.39CS..Hα-helixtrans-65.9-46.8173.9174-110.6000112.1F214 Y215 V218 Y254 L255 Y256 S260 M261 C262F214-F258 HydrophobicContact CE1-CB 4.5Å; Y215-F258 AromaticContact CD1-CD2 3.87Å; Y215-F258 HydrophobicContact CD1-CD2 3.87Å; Y215-F258 AromaticContact CD1-CE2 3.81Å; Y215-F258 HydrophobicContact CD1-CE2 3.81Å; Y215-F258 AromaticContact CE1-CD2 3.55Å; Y215-F258 HydrophobicContact CE1-CD2 3.55Å; Y215-F258 AromaticContact CE1-CE2 3.93Å; Y215-F258 HydrophobicContact CE1-CE2 3.93Å; Y215-F258 HydrophobicContact CE1-CG 4.37Å; V218-F258 HydrophobicContact CB-CE1 4.47Å; V218-F258 HydrophobicContact CG1-CD1 4.19Å; V218-F258 HydrophobicContact CG1-CE1 3.6Å; V218-F258 HydrophobicContact CG1-CZ 3.82Å; V218-F258 HydrophobicContact CG2-CD1 4.31Å; V218-F258 HydrophobicContact CG2-CE1 3.98Å; Y254-F258 WeakPolarHBondContact O-CB 3.34Å; Y254-F258 PolarHBondContact O-N 2.67Å; L255-F258 HydrophobicContact CD1-CD1 4.41Å; L255-F258 CarbonylContact O-C 3.59Å; L255-F258 WeakPolarHBondContact O-CB 3.48Å; L255-F258 PolarHBondContact O-N 3.02Å; Y256-F258 VanDerWaalsContact C-N 3.33Å; Y256-F258 PolarHBondContact O-N 3Å; F258-S260 VanDerWaalsContact C-N 3.34Å; F258-S260 PolarHBondContact O-N 3.11Å; F258-M261 CarbonylContact O-C 3.55Å; F258-M261 WeakPolarHBondContact O-CA 3.41Å; F258-M261 WeakPolarHBondContact O-CB 3.43Å; F258-M261 PolarHBondContact O-N 2.97Å; F258-M261 VanDerWaalsContact O-N 3.14Å; F258-C262 PolarHBondContact O-N 3.43Å; F258-C262 PolarHBondContact O-SG 3.47Å; F258-C262 VanDerWaalsContact O-SG 3.36Å
259M87.6Confident86.1Confident71 Ų7180.9 Ų80.935%0.3540%0.403SS..Hα-helixtrans-62.8-38.9176.9-70.5174.87500112L255 Y256 C262 R263L255-M259 HydrophobicContact CD1-CG 4.39Å; L255-M259 HydrophobicContact CD1-SD 4.37Å; L255-M259 HydrophobicContact CD2-SD 4.36Å; L255-M259 HydrophobicContact CG-CG 4.39Å; L255-M259 HydrophobicContact CG-SD 3.94Å; L255-M259 WeakPolarHBondContact O-CB 3.29Å; L255-M259 VanDerWaalsContact O-CG 3.3Å; L255-M259 WeakPolarHBondContact O-CG 3.38Å; L255-M259 PolarHBondContact O-N 2.89Å; Y256-M259 HydrophobicContact CD1-SD 4.41Å; Y256-M259 PolarHBondContact O-N 3.23Å; M259-C262 PolarHBondContact O-N 2.83Å; M259-R263 WeakPolarHBondContact O-CB 3.41Å; M259-R263 WeakPolarHBondContact O-CG 3.33Å; M259-R263 PolarHBondContact O-N 3.01Å
260S88.3Confident84.5Confident54 Ų5480.4 Ų80.438%0.37841%0.406SS..Hα-helixtrans-62.3-42.9172-179.80000111.5Y256 F258 R264Y256-S260 VanDerWaalsContact O-CB 3.24Å; Y256-S260 WeakPolarHBondContact O-CB 3.36Å; Y256-S260 PolarHBondContact O-N 3.29Å; F258-S260 VanDerWaalsContact C-N 3.34Å; F258-S260 PolarHBondContact O-N 3.11Å; S260-R264 WeakPolarHBondContact O-CB 3.16Å; S260-R264 PolarHBondContact O-N 2.92Å; S260-R264 PolarHBondContact OG-NH2 2.9Å; S260-R264 VanDerWaalsContact OG-NH2 3.08Å
261M84.3Confident82.6Confident94 Ų9487.5 Ų87.546%0.46344%0.435SS..Hα-helixtrans-61.1-47.4172.6-171.2-171.2-60.100111.7A257 F258 R264 V265A257-M261 WeakPolarHBondContact O-CB 3.39Å; A257-M261 PolarHBondContact O-N 3.06Å; F258-M261 CarbonylContact O-C 3.55Å; F258-M261 WeakPolarHBondContact O-CA 3.41Å; F258-M261 WeakPolarHBondContact O-CB 3.43Å; F258-M261 PolarHBondContact O-N 2.97Å; F258-M261 VanDerWaalsContact O-N 3.14Å; M261-R264 PolarHBondContact O-N 3.42Å; M261-V265 WeakPolarHBondContact O-CG2 3.4Å; M261-V265 PolarHBondContact O-N 2.86Å
262C85.6Confident80.4Confident50 Ų5095 Ų9534%0.33847%0.47SS..Hα-helixtrans-61.5-46.8178.7-70.80000112.2F258 M259 R264 V265 C266F258-C262 PolarHBondContact O-N 3.43Å; F258-C262 PolarHBondContact O-SG 3.47Å; F258-C262 VanDerWaalsContact O-SG 3.36Å; M259-C262 PolarHBondContact O-N 2.83Å; C262-R264 PolarHBondContact O-N 2.84Å; C262-V265 PolarHBondContact O-N 2.8Å; C262-C266 WeakPolarHBondContact O-CB 3.36Å; C262-C266 PolarHBondContact O-N 3.49Å; C262-C266 PolarHBondContact O-SG 2.71Å
263R86.2Confident78Confident94 Ų94100.5 Ų100.536%0.35550%0.495SS..Hα-helixtrans-57.4-47.1175.5-74.8175.8-176.2-81.9-6111.4M259 V265 C266 R267 L268M259-R263 WeakPolarHBondContact O-CB 3.41Å; M259-R263 WeakPolarHBondContact O-CG 3.33Å; M259-R263 PolarHBondContact O-N 3.01Å; R263-V265 PolarHBondContact O-N 3.32Å; R263-C266 CarbonylContact O-C 3.46Å; R263-C266 PolarHBondContact O-N 3.33Å; R263-R267 PolarHBondContact O-N 3.15Å; R263-L268 HydrophobicContact CB-CB 4.4Å; R263-L268 HydrophobicContact CG-CB 4.47Å; R263-L268 PolarHBondContact O-N 3.05Å
264R85.6Confident75.2Confident169 Ų16997.9 Ų97.964%0.63849%0.494SS*.Hα-helixtrans-62.1-42.1178.2-166.9-175.6-57.9108.911.1112.7S260 M261 C262 R267S260-R264 WeakPolarHBondContact O-CB 3.16Å; S260-R264 PolarHBondContact O-N 2.92Å; S260-R264 PolarHBondContact OG-NH2 2.9Å; S260-R264 VanDerWaalsContact OG-NH2 3.08Å; M261-R264 PolarHBondContact O-N 3.42Å; C262-R264 PolarHBondContact O-N 2.84Å; R264-R267 PolarHBondContact O-N 2.84Å
265V85.8Confident72.5Confident111 Ų111102.1 Ų102.167%0.67352%0.524SS*.Hα-helixtrans-66-41.2176.1168.70000111.4M261 C262 R263 R267M261-V265 WeakPolarHBondContact O-CG2 3.4Å; M261-V265 PolarHBondContact O-N 2.86Å; C262-V265 PolarHBondContact O-N 2.8Å; R263-V265 PolarHBondContact O-N 3.32Å; V265-R267 PolarHBondContact O-N 3.22Å
266C82.9Confident70.1Confident86 Ų86107.7 Ų107.758%0.58156%0.558SS**THydrogen-bonded Turntrans-80.9-0.4178.6-58.10000113.6C262 R263 L268C262-C266 WeakPolarHBondContact O-CB 3.36Å; C262-C266 PolarHBondContact O-N 3.49Å; C262-C266 PolarHBondContact O-SG 2.71Å; R263-C266 CarbonylContact O-C 3.46Å; R263-C266 PolarHBondContact O-N 3.33Å; C266-L268 HydrophobicContact CB-CD1 3.43Å; C266-L268 VanDerWaalsContact CB-CD1 3.43Å; C266-L268 PolarHBondContact O-N 2.62Å
267R85.4Confident67.1Low232 Ų232109.6 Ų109.688%0.87557%0.571SS**THydrogen-bonded Turntrans55.829.8-175.4-54.3-178179.6-176.5-1.4114.8R263 R264 V265R263-R267 PolarHBondContact O-N 3.15Å; R264-R267 PolarHBondContact O-N 2.84Å; V265-R267 PolarHBondContact O-N 3.22Å
268L75Confident64.1Low93 Ų93115.2 Ų115.249%0.48759%0.59SS.*PPolyproline II helixtrans-76.2145.1168.7-81.285.4000110R263 C266R263-L268 HydrophobicContact CB-CB 4.4Å; R263-L268 HydrophobicContact CG-CB 4.47Å; R263-L268 PolarHBondContact O-N 3.05Å; C266-L268 HydrophobicContact CB-CD1 3.43Å; C266-L268 VanDerWaalsContact CB-CD1 3.43Å; C266-L268 PolarHBondContact O-N 2.62Å
269P62.3Low61.3Low98 Ų98119.4 Ų119.464%0.63661%0.608SS**PPolyproline II helixtrans-61.2153.1172.626.1-34.1000112.2
270S53.8Low58.5Low73 Ų73120.1 Ų120.151%0.5163%0.625SS.*PPolyproline II helixtrans-64.5137.3167.821.50000110E272S270-E272 PolarHBondContact O-N 2.75Å
271K48.6Very low55.7Low167 Ų167126.2 Ų126.273%0.72664%0.641SS**THydrogen-bonded Turntrans-81.333.9-177.4-156-151.7174-166.70112.7
272E44.5Very low53.3Low159 Ų159129.5 Ų129.574%0.74366%0.661SS**THydrogen-bonded Turntrans-108.4-11.7-177.1-69.1172.9162.200111.7S270 S274S270-E272 PolarHBondContact O-N 2.75Å; E272-S274 VanDerWaalsContact C-N 3.35Å; E272-S274 PolarHBondContact O-N 2.79Å
273E39Very low51Low165 Ų165135 Ų13577%0.77168%0.681SS**SBendtrans-96.141.3175.4-63.3178.4158.200112.1
274S30.6Very low48.5Very low82 Ų82139.3 Ų139.357%0.57371%0.705SS**SBendtrans-138.219.817883.80000115E272E272-S274 VanDerWaalsContact C-N 3.35Å; E272-S274 PolarHBondContact O-N 2.79Å
275T34.9Very low46.4Very low122 Ų122137 Ų13775%0.74872%0.715SS**SBendtrans-133.523.4-179.947.70000113.8
276T40.9Very low43.8Very low124 Ų124138.2 Ų138.276%0.76172%0.723SS**SBendtrans-141.221.917842.20000115
277H28.1Very low41.2Very low155 Ų155138.6 Ų138.672%0.71873%0.732SS**  trans-150.976.9167.2-146.7-102000116.3
278M27.2Very low38.7Very low175 Ų175133.1 Ų133.186%0.86273%0.729SS**SBendtrans-97.690.1155.5-88.9-91.672.400109.3
279K30.7Very low36.4Very low134 Ų134136.8 Ų136.858%0.58375%0.748SS**  trans28.9100.9162.1-67.3-179.4170-169.70117.4Y281K279-Y281 HydrophobicContact CD-CD2 4.28Å; K279-Y281 HydrophobicContact CD-CE2 3.82Å; K279-Y281 HydrophobicContact CG-CD2 4.45Å; K279-Y281 HydrophobicContact CG-CE2 4.32Å
280A28.6Very low34.7Very low86 Ų86137.2 Ų137.271%0.71175%0.754SS**  -90.4144.9117.500000107.9
281Y30Very low33.5Very low181 Ų181139.1 Ų139.171%0.7176%0.762SS**  trans-95.6144.6161.1-95.7-108.9000107.5K279K279-Y281 HydrophobicContact CD-CD2 4.28Å; K279-Y281 HydrophobicContact CD-CE2 3.82Å; K279-Y281 HydrophobicContact CG-CD2 4.45Å; K279-Y281 HydrophobicContact CG-CE2 4.32Å
282D32.4Very low32.7Very low163 Ų163136.1 Ų136.187%0.87276%0.758SS**  trans-144.8161.8132.7-141.5-22.7000109.3
283E37.5Very low31.9Very low166 Ų166136.4 Ų136.478%0.77676%0.76SS**  trans-96.1-177.6179-69.1-165.897.200112.2
284E34.5Very low31.3Very low184 Ų184134.4 Ų134.486%0.8675%0.754SS**  trans59.8112.4174.7-50.7-163.8145.300115.7
285S41.3Very low31.4Very low120 Ų120138.3 Ų138.384%0.83976%0.763SS**  -161.8162.468.8-71.40000113.8
286V31Very low31.4Very low138 Ų138138.4 Ų138.484%0.83676%0.764SS**  trans-96.7154-176.9-68.10000113.5
287A29.8Very low30.8Very low94 Ų94140.3 Ų140.378%0.77777%0.765SS**  trans66.8165.9165.500000115.4
288S31.3Very low30.6Very low117 Ų117138.6 Ų138.682%0.81876%0.761SS**  cis-139.1167.66.3-102.20000111.9
289L26.9Very low30.7Very low169 Ų169134 Ų13489%0.88575%0.745SS**  trans-80.4154166.1-76.3148.5000111.8
290S26.7Very low30.5Very low108 Ų108136 Ų13676%0.75576%0.755SS**  trans94.3134.6139.6-135.10000121.8
291T29.8Very low30.5Very low112 Ų112138.7 Ų138.769%0.68775%0.752SS**  trans84129.9130.1-153.50000124.7
292T30.7Very low30.3Very low104 Ų104136.6 Ų136.664%0.63875%0.751SS**  trans66.2136.5141.838.20000124.3
293Q27.6Very low30.1Very low165 Ų165135.6 Ų135.677%0.77175%0.745SS**  trans68.2158.5144.4-84.9178.3-82.800118.6
294D26.5Very low29.8Very low124 Ų124135.1 Ų135.166%0.66375%0.748SS**  cis-147.7-176.8-13.7-140.5-22.7000111.9
295E33.5Very low29.4Very low163 Ų163130.1 Ų130.176%0.76275%0.746SS**  trans-68.4145.9174.7-55.5-176.8114.400115
296T34.5Very low28.7Very low125 Ų125130.9 Ų130.977%0.76775%0.746SS**  160.6145.8113.841.30000114.4
297Q29.1Very low29Very low164 Ų164130.1 Ų130.177%0.76674%0.744SS**  trans26.2152.7148-68.8-179.1-103.800122.7
298D23.9Very low29.3Very low119 Ų119134 Ų13464%0.63675%0.746SS**  cis-14917010.4-142.4-33.2000113.9
299S29.2Very low29.7Very low77 Ų77133.2 Ų133.254%0.53874%0.74SS.*  trans-38.9153.5168.1-43.30000115.6
300F25.6Very low29.9Very low178 Ų178129.3 Ų129.378%0.78173%0.733SS**  -167.7159.851.9-98.3-64.9000115.6
301Q29.3Very low29.9Very low141 Ų141134.6 Ų134.666%0.65974%0.738SS**  trans73.585.7144.7-73.4-178.187.600121.9
302M25.9Very low29.9Very low138 Ų138136.6 Ų136.668%0.6874%0.743SS**  trans29.6131.8133.238.461.8162.500122.5
303N28.2Very low30Very low142 Ų142139.2 Ų139.276%0.75975%0.752SS**  -146136.1100.5-106.1-83.6000111.8
304N29.4Very low30Very low155 Ų155139 Ų13983%0.82975%0.751SS**SBendtrans42.7109.4167.5-63.8-13.3000121.4
305G26.3Very low30Very low80 Ų80136.5 Ų136.583%0.82575%0.754SS**  10846.4118.500000120.7
306T27.6Very low29.9Very low136 Ų136132 Ų13283%0.83475%0.752SS**  trans-64.7172.1156.248.80000112.2
307P36.7Very low30.3Very low122 Ų122135.3 Ų135.379%0.79275%0.752SS**  cis-131.7-1795.539.1-20.8000115.7
308E36Very low31Very low174 Ų174134.4 Ų134.481%0.81375%0.75SS**  trans-85.9160.6172.1-155.3-143.6144.700113.2
309S39.6Very low32.2Very low101 Ų101137 Ų13771%0.70676%0.762SS**  trans80.4129.4157.882.10000119.8
310A32.4Very low32.7Very low88 Ų88137.7 Ų137.773%0.72777%0.773SS**  trans53.186.5161.400000119.5
311Y27Very low33.3Very low218 Ų218133.7 Ų133.786%0.85577%0.772SS**  -170.2173.8100.1-112.2-84.9000111.4
312I29.9Very low34.1Very low155 Ų155131.9 Ų131.980%0.79578%0.776SS**  trans69.378.8176.6-43.5-174.7000116.3
313L31.4Very low35Very low159 Ų159133.7 Ų133.783%0.83278%0.776SS**  trans-152.958.2131.4-117.7175.6000111
314Q28.9Very low36.3Very low160 Ų160135.2 Ų135.275%0.74877%0.771SS**  trans-99.797.3-176-177.1173.861.700112.1
315G26.3Very low37.3Very low71 Ų71131.3 Ų131.373%0.73275%0.754SS**SBendtrans-176.288.2172.600000115.9
316G31.7Very low38.8Very low70 Ų70135 Ų13572%0.72275%0.748SS**SBendtrans152.7-64.3161.400000116.9M318G316-M318 PolarHBondContact O-N 2.94Å
317Y41.7Very low41Very low193 Ų193132.3 Ų132.376%0.75773%0.728SS**SBendtrans-81.5-15.3-153.144.5-95.2000117.2L319Y317-L319 PolarHBondContact O-N 2.85Å; Y317-L319 VanDerWaalsContact O-N 3.13Å
318M44.5Very low42.5Very low146 Ų146136.1 Ų136.172%0.71973%0.727SS**THydrogen-bonded Turntrans-88.142.4-171.2-63.3-147.8-59.600116.5G316G316-M318 PolarHBondContact O-N 2.94Å
319L47.9Very low44.3Very low173 Ų173131.8 Ų131.891%0.90671%0.712SS**THydrogen-bonded Turntrans-129.53.6176.3-82.5175.6000116.6Y317Y317-L319 PolarHBondContact O-N 2.85Å; Y317-L319 VanDerWaalsContact O-N 3.13Å
320A39.5Very low46.1Very low92 Ų92131.3 Ų131.376%0.7670%0.699SS**SBendtrans-92.3-35.5170.200000113.3S322A320-S322 VanDerWaalsContact C-N 3.25Å; A320-S322 PolarHBondContact O-N 3.4Å
321A38.3Very low48.4Very low93 Ų93130.8 Ų130.877%0.76968%0.684SS**THydrogen-bonded Turntrans-75.25.9-164.500000116.8
322S46.9Very low50.9Low104 Ų104125.2 Ų125.273%0.72767%0.669SS**THydrogen-bonded Turntrans-134.431.1-167.6-53.40000114.7A320A320-S322 VanDerWaalsContact C-N 3.25Å; A320-S322 PolarHBondContact O-N 3.4Å
323Y44.3Very low53.4Low175 Ų175125.6 Ų125.669%0.68666%0.66SS**  trans-135.474.1166.5-127.3-81.6000112.8K326Y323-K326 HydrophobicContact CE1-CD 4.15Å; Y323-K326 PolarHBondContact OH-NZ 2.66Å
324W55.3Low55.9Low175 Ų175121.7 Ų121.766%0.66364%0.64SS**  trans-51.6148.3165.4-103.979.9000111.8K326 L334W324-K326 PolarHBondContact O-N 2.77Å; W324-L334 HydrophobicContact CH2-CD1 3.92Å; W324-L334 HydrophobicContact CZ3-CD1 3.73Å
325P50.3Low58.3Low73 Ų73118 Ų11847%0.47463%0.625SS.*  trans-56.9112.9166-22.633.6000110.3D327P325-D327 PolarHBondContact O-N 3.19Å; P325-D327 VanDerWaalsContact O-N 3.09Å
326K58.9Low61.2Low157 Ų157116.3 Ų116.368%0.68360%0.602SS**  trans-75.313.7172.2-65.3-179.4175176.70112.8Y323 W324 R328Y323-K326 HydrophobicContact CE1-CD 4.15Å; Y323-K326 PolarHBondContact OH-NZ 2.66Å; W324-K326 PolarHBondContact O-N 2.77Å; K326-R328 PolarHBondContact O-N 3.26Å
327D73.2Confident63.8Low79 Ų79116.7 Ų116.742%0.42259%0.587SS.*  trans-81.8112.8-179.2-172.4-15.4000109.5P325 V329 M330 I331P325-D327 PolarHBondContact O-N 3.19Å; P325-D327 VanDerWaalsContact O-N 3.09Å; D327-V329 PolarHBondContact O-N 3.26Å; D327-V329 VanDerWaalsContact OD1-CB 3.31Å; D327-V329 WeakPolarHBondContact OD1-CB 3.44Å; D327-V329 WeakPolarHBondContact OD1-CG2 3.28Å; D327-V329 PolarHBondContact OD1-N 2.82Å; D327-M330 HydrophobicContact CB-CB 4.22Å; D327-M330 HydrophobicContact CB-CG 4.07Å; D327-M330 PolarHBondContact O-N 3.3Å; D327-M330 VanDerWaalsContact O-N 3.1Å; D327-I331 WeakPolarHBondContact O-CG1 3.33Å; D327-I331 PolarHBondContact O-N 2.84Å
328R69Low65.8Low203 Ų203110.9 Ų110.977%0.76657%0.573SS**Hα-helixtrans-58.8-28.1177.3-67-179174.9-178.2-3.6112.1K326 N332K326-R328 PolarHBondContact O-N 3.26Å; R328-N332 VanDerWaalsContact O-CB 3.27Å; R328-N332 WeakPolarHBondContact O-CB 3.44Å; R328-N332 PolarHBondContact O-N 3.24Å; R328-N332 PolarHBondContact O-OD1 2.78Å; R328-N332 VanDerWaalsContact O-OD1 3.11Å
329V73.2Confident67.7Low82 Ų82107 Ų10750%0.49755%0.554SS.*Hα-helixtrans-69.1-41176.9-174.70000110.9D327 R333D327-V329 PolarHBondContact O-N 3.26Å; D327-V329 VanDerWaalsContact OD1-CB 3.31Å; D327-V329 WeakPolarHBondContact OD1-CB 3.44Å; D327-V329 WeakPolarHBondContact OD1-CG2 3.28Å; D327-V329 PolarHBondContact OD1-N 2.82Å; V329-R333 WeakPolarHBondContact O-CB 3.14Å; V329-R333 VanDerWaalsContact O-CG 3.22Å; V329-R333 WeakPolarHBondContact O-CG 3.29Å; V329-R333 PolarHBondContact O-N 3.33Å
330M76.7Confident69.4Low91 Ų91100.1 Ų100.145%0.44852%0.519SS..Hα-helixtrans-68.7-42.1176.4-68.4-62-67.700111.6D327 R333 L334D327-M330 HydrophobicContact CB-CB 4.22Å; D327-M330 HydrophobicContact CB-CG 4.07Å; D327-M330 PolarHBondContact O-N 3.3Å; D327-M330 VanDerWaalsContact O-N 3.1Å; M330-R333 PolarHBondContact O-N 2.86Å; M330-L334 WeakPolarHBondContact O-CG 3.17Å; M330-L334 PolarHBondContact O-N 3.07Å
331I82.3Confident71.6Confident77 Ų77101.3 Ų101.340%0.39552%0.516SS..Hα-helixtrans-61.6-50.2176.7-64.5165.7000110.5D327 R333 L334 D335D327-I331 WeakPolarHBondContact O-CG1 3.33Å; D327-I331 PolarHBondContact O-N 2.84Å; I331-R333 VanDerWaalsContact C-N 3.29Å; I331-R333 PolarHBondContact O-N 2.81Å; I331-L334 PolarHBondContact O-N 3.46Å; I331-D335 PolarHBondContact O-N 3.19Å
332N78.9Confident73.8Confident102 Ų102104 Ų10455%0.54552%0.517SS..Hα-helixtrans-64.7-31.9180-68.110.7000112.6R328 S336R328-N332 VanDerWaalsContact O-CB 3.27Å; R328-N332 WeakPolarHBondContact O-CB 3.44Å; R328-N332 PolarHBondContact O-N 3.24Å; R328-N332 PolarHBondContact O-OD1 2.78Å; R328-N332 VanDerWaalsContact O-OD1 3.11Å; N332-S336 WeakPolarHBondContact O-CB 3.49Å; N332-S336 PolarHBondContact O-N 2.93Å; N332-S336 PolarHBondContact O-OG 3.01Å
333R81.8Confident75.3Confident163 Ų163105.4 Ų105.462%0.61551%0.51SS*.Hα-helixtrans-69.4-43.7174.3-78.7174.7177.7-140.4-1.8112V329 M330 I331 S336 I337V329-R333 WeakPolarHBondContact O-CB 3.14Å; V329-R333 VanDerWaalsContact O-CG 3.22Å; V329-R333 WeakPolarHBondContact O-CG 3.29Å; V329-R333 PolarHBondContact O-N 3.33Å; M330-R333 PolarHBondContact O-N 2.86Å; I331-R333 VanDerWaalsContact C-N 3.29Å; I331-R333 PolarHBondContact O-N 2.81Å; R333-S336 PolarHBondContact O-N 3.29Å; R333-I337 WeakPolarHBondContact O-CD1 3.38Å; R333-I337 VanDerWaalsContact O-CG1 3.29Å; R333-I337 WeakPolarHBondContact O-CG1 3.44Å; R333-I337 PolarHBondContact O-N 2.89Å
334L83.3Confident76.8Confident77 Ų77100.4 Ų100.440%0.40351%0.512SS..Hα-helixtrans-63.1-44.5175.5-73.7166.3000111.3W324 M330 I331 S336 I337 C338W324-L334 HydrophobicContact CH2-CD1 3.92Å; W324-L334 HydrophobicContact CZ3-CD1 3.73Å; M330-L334 WeakPolarHBondContact O-CG 3.17Å; M330-L334 PolarHBondContact O-N 3.07Å; I331-L334 PolarHBondContact O-N 3.46Å; L334-S336 VanDerWaalsContact C-N 3.35Å; L334-S336 PolarHBondContact O-N 3.32Å; L334-I337 PolarHBondContact O-N 3.08Å; L334-C338 PolarHBondContact O-N 3.29Å; L334-C338 PolarHBondContact O-SG 3.01Å
335D81.3Confident77.8Confident83 Ų83100 Ų10044%0.44452%0.515SS..Hα-helixtrans-59.8-43.9173.3-177.562.3000111.9I331 I337 C338 Q339I331-D335 PolarHBondContact O-N 3.19Å; D335-I337 VanDerWaalsContact C-N 3.29Å; D335-I337 PolarHBondContact O-N 3.24Å; D335-C338 PolarHBondContact O-N 3.1Å; D335-Q339 WeakPolarHBondContact O-CB 3.42Å; D335-Q339 WeakPolarHBondContact O-CG 3.27Å; D335-Q339 PolarHBondContact O-N 3.48Å; D335-Q339 PolarHBondContact OD2-NE2 3Å
336S86.3Confident79.1Confident34 Ų34104.7 Ų104.724%0.23852%0.523CS..Hα-helixtrans-59.7-38.2175.8-59.60000112.7N332 R333 L334 T340 P347N332-S336 WeakPolarHBondContact O-CB 3.49Å; N332-S336 PolarHBondContact O-N 2.93Å; N332-S336 PolarHBondContact O-OG 3.01Å; R333-S336 PolarHBondContact O-N 3.29Å; L334-S336 VanDerWaalsContact C-N 3.35Å; L334-S336 PolarHBondContact O-N 3.32Å; S336-T340 PolarHBondContact O-N 2.9Å; S336-T340 PolarHBondContact O-OG1 3.36Å; S336-P347 WeakPolarHBondContact O-CD 3.38Å
337I86Confident79.7Confident79 Ų7999.4 Ų99.441%0.40551%0.505SS..Hα-helixtrans-69-47.4176-68.7161.4000110.3R333 L334 D335 Q339 T340 V341 W346R333-I337 WeakPolarHBondContact O-CD1 3.38Å; R333-I337 VanDerWaalsContact O-CG1 3.29Å; R333-I337 WeakPolarHBondContact O-CG1 3.44Å; R333-I337 PolarHBondContact O-N 2.89Å; L334-I337 PolarHBondContact O-N 3.08Å; D335-I337 VanDerWaalsContact C-N 3.29Å; D335-I337 PolarHBondContact O-N 3.24Å; I337-Q339 VanDerWaalsContact C-N 3.33Å; I337-Q339 PolarHBondContact O-N 2.9Å; I337-T340 WeakPolarHBondContact O-CA 3.39Å; I337-T340 VanDerWaalsContact O-CB 3.3Å; I337-T340 WeakPolarHBondContact O-CB 3.49Å; I337-T340 PolarHBondContact O-N 3Å; I337-V341 WeakPolarHBondContact O-CG2 3.22Å; I337-V341 PolarHBondContact O-N 3.34Å; I337-W346 HydrophobicContact CG1-CH2 4.07Å; I337-W346 HydrophobicContact CG1-CZ3 4.21Å
338C84.6Confident78.9Confident70 Ų70100.8 Ų100.847%0.47352%0.521SS..Hα-helixtrans-57.9-44.5175.5-68.70000111.8L334 D335 T340 V341 L342L334-C338 PolarHBondContact O-N 3.29Å; L334-C338 PolarHBondContact O-SG 3.01Å; D335-C338 PolarHBondContact O-N 3.1Å; C338-T340 VanDerWaalsContact C-N 3.32Å; C338-T340 PolarHBondContact O-N 3.08Å; C338-V341 PolarHBondContact O-N 3.43Å; C338-L342 WeakPolarHBondContact O-CB 3.38Å; C338-L342 WeakPolarHBondContact O-CG 3.48Å; C338-L342 PolarHBondContact O-N 3.11Å
339Q83.3Confident78.2Confident65 Ų6595.8 Ų95.830%0.30452%0.523SS..Hα-helixtrans-65-34174.7-69.9-162.157.800112.6D335 I337 K343 P347D335-Q339 WeakPolarHBondContact O-CB 3.42Å; D335-Q339 WeakPolarHBondContact O-CG 3.27Å; D335-Q339 PolarHBondContact O-N 3.48Å; D335-Q339 PolarHBondContact OD2-NE2 3Å; I337-Q339 VanDerWaalsContact C-N 3.33Å; I337-Q339 PolarHBondContact O-N 2.9Å; Q339-K343 VanDerWaalsContact O-CB 3.24Å; Q339-K343 WeakPolarHBondContact O-CB 3.44Å; Q339-K343 WeakPolarHBondContact O-CG 3.32Å; Q339-K343 PolarHBondContact O-N 3.12Å; Q339-P347 HydrophobicContact CB-CG 4.25Å
340T85Confident76.6Confident28 Ų28102.2 Ų102.217%0.17254%0.538CS..Hα-helixtrans-62-50.3173.2-56.20000110.9S336 I337 C338 L342 K343 G344 W346 P347S336-T340 PolarHBondContact O-N 2.9Å; S336-T340 PolarHBondContact O-OG1 3.36Å; I337-T340 WeakPolarHBondContact O-CA 3.39Å; I337-T340 VanDerWaalsContact O-CB 3.3Å; I337-T340 WeakPolarHBondContact O-CB 3.49Å; I337-T340 PolarHBondContact O-N 3Å; C338-T340 VanDerWaalsContact C-N 3.32Å; C338-T340 PolarHBondContact O-N 3.08Å; T340-L342 VanDerWaalsContact C-N 3.35Å; T340-L342 PolarHBondContact O-N 2.7Å; T340-K343 PolarHBondContact O-N 3.05Å; T340-G344 WeakPolarHBondContact O-CA 3.28Å; T340-G344 PolarHBondContact O-N 3.4Å; T340-W346 HydrophobicContact CG2-CB 4.38Å; T340-W346 HydrophobicContact CG2-CE3 3.97Å; T340-P347 WeakPolarHBondContact OG1-CD 3.13Å
341V85.6Confident75.2Confident118 Ų118110 Ų11072%0.71556%0.562SS**Hα-helixtrans-62.4-41.9-178.6172.90000111.1I337 C338I337-V341 WeakPolarHBondContact O-CG2 3.22Å; I337-V341 PolarHBondContact O-N 3.34Å; C338-V341 PolarHBondContact O-N 3.43Å
342L83.5Confident72.7Confident148 Ų148109.2 Ų109.278%0.77556%0.564SS**Hα-helixtrans-75.7-23.8-179.5-68.3171.1000114.6C338 T340C338-L342 WeakPolarHBondContact O-CB 3.38Å; C338-L342 WeakPolarHBondContact O-CG 3.48Å; C338-L342 PolarHBondContact O-N 3.11Å; T340-L342 VanDerWaalsContact C-N 3.35Å; T340-L342 PolarHBondContact O-N 2.7Å
343K78.5Confident70.6Confident134 Ų134115.1 Ų115.158%0.58358%0.58SS**Hα-helixtrans-115.4-0.8-174-59.2174.3-179.9172.90114.1Q339 T340 K345Q339-K343 VanDerWaalsContact O-CB 3.24Å; Q339-K343 WeakPolarHBondContact O-CB 3.44Å; Q339-K343 WeakPolarHBondContact O-CG 3.32Å; Q339-K343 PolarHBondContact O-N 3.12Å; T340-K343 PolarHBondContact O-N 3.05Å; K343-K345 PolarHBondContact O-N 2.73Å; K343-K345 VanDerWaalsContact O-N 3.08Å
344G75.2Confident68Low71 Ų71113.8 Ų113.873%0.73259%0.586SS**THydrogen-bonded Turntrans62.310.7-177.800000115.2T340T340-G344 WeakPolarHBondContact O-CA 3.28Å; T340-G344 PolarHBondContact O-N 3.4Å
345K76.5Confident65.4Low166 Ų166114.1 Ų114.172%0.72260%0.599SS**SBendtrans-141.8124.6-171.5-65.9179.9-176.3177.50109.7K343K343-K345 PolarHBondContact O-N 2.73Å; K343-K345 VanDerWaalsContact O-N 3.08Å
346W79.1Confident62.9Low171 Ų171117.6 Ų117.665%0.64862%0.618SS**  trans-62.4134.1177.5-173.5-87.5000110.4I337 T340 S348I337-W346 HydrophobicContact CG1-CH2 4.07Å; I337-W346 HydrophobicContact CG1-CZ3 4.21Å; T340-W346 HydrophobicContact CG2-CB 4.38Å; T340-W346 HydrophobicContact CG2-CE3 3.97Å; W346-S348 VanDerWaalsContact C-N 3.33Å; W346-S348 PolarHBondContact O-N 2.86Å
347P70Confident60.3Low47 Ų47121.5 Ų121.531%0.30564%0.64SS.*  trans-57.592.4170.4-28.537.1000111.6S336 Q339 T340 A349S336-P347 WeakPolarHBondContact O-CD 3.38Å; Q339-P347 HydrophobicContact CB-CG 4.25Å; T340-P347 WeakPolarHBondContact OG1-CD 3.13Å; P347-A349 PolarHBondContact O-N 2.78Å
348S58Low57.7Low107 Ų107124.7 Ų124.775%0.74866%0.663SS**  trans-59.5138.2178-1740000109.9W346 R350W346-S348 VanDerWaalsContact C-N 3.33Å; W346-S348 PolarHBondContact O-N 2.86Å; S348-R350 PolarHBondContact O-N 2.87Å
349A54Low55Low98 Ų98125.2 Ų125.281%0.8167%0.672SS**  trans-74.268.3-167.700000112.7P347 R351P347-A349 PolarHBondContact O-N 2.78Å; A349-R351 VanDerWaalsContact C-N 3.35Å; A349-R351 PolarHBondContact O-N 2.79Å
350R39.8Very low52.4Low218 Ų218126.5 Ų126.582%0.82369%0.688SS**  trans-62.594.8169-76.3-165.3-174.8-92.63.5109.8S348 S352S348-R350 PolarHBondContact O-N 2.87Å; R350-S352 PolarHBondContact O-N 3.39Å; R350-S352 VanDerWaalsContact O-N 3.09Å
351R47.3Very low49.7Very low253 Ų253134 Ų13496%0.95572%0.719SS**  trans-68.586.3138.5-76.6-172-73.1-165.4-3.3107.2A349A349-R351 VanDerWaalsContact C-N 3.35Å; A349-R351 PolarHBondContact O-N 2.79Å
352S28.2Very low46.9Very low62 Ų62139 Ų13943%0.43473%0.727SS.*  trans-111126.6156.6-148.70000106.7R350 D354R350-S352 PolarHBondContact O-N 3.39Å; R350-S352 VanDerWaalsContact O-N 3.09Å; S352-D354 WeakPolarHBondContact CB-OD2 3.43Å; S352-D354 PolarHBondContact OG-OD2 3.04Å
353Y34.8Very low44.4Very low225 Ų225138 Ų13888%0.88273%0.727SS**  trans-109.862.5-179.3-146.8-78.5000107.5A355Y353-A355 PolarHBondContact O-N 3.01Å
354D27.7Very low42Very low136 Ų136137.8 Ų137.873%0.72774%0.737SS**  trans-75.791.1-178.3-63.3-64000109.5S352S352-D354 WeakPolarHBondContact CB-OD2 3.43Å; S352-D354 PolarHBondContact OG-OD2 3.04Å
355A29Very low39.8Very low83 Ų83143.4 Ų143.469%0.68674%0.741SS**  trans-78.8139.5165.900000109.2Y353Y353-A355 PolarHBondContact O-N 3.01Å
356N28.4Very low37.6Very low156 Ų156142.3 Ų142.383%0.83474%0.743SS**  trans65132.9-174.6-88.87.1000114.1
357T31.7Very low35.3Very low117 Ų117141.5 Ų141.572%0.71875%0.75SS**  cis-147.7128.71248.60000113
358V31.6Very low33.2Very low146 Ų146145.9 Ų145.989%0.88577%0.771SS**  trans-138.1124137.3-179.80000106.2
359A28.5Very low31.8Very low80 Ų80146 Ų14666%0.66177%0.772SS**  trans-86.1163-170.100000113.6
360S28.4Very low31Very low92 Ų92147.6 Ų147.664%0.64377%0.774SS**  trans-52.1136.9170.6178.70000113Y362S360-Y362 PolarHBondContact OG-N 3.22Å
361F27.8Very low30.4Very low187 Ų187140.3 Ų140.382%0.8277%0.766SS**SBendtrans-116.368163.4-82.4-74.8000111.2
362Y27.6Very low29.6Very low222 Ų222133.4 Ų133.487%0.87176%0.764SS**  trans-157.776.2144.6-93.3-62.6000109.6S360S360-Y362 PolarHBondContact OG-N 3.22Å
363T31.3Very low29.6Very low128 Ų128134.9 Ų134.979%0.78578%0.78SS**  trans-129.3142.7160.159.30000108.9
364T27.3Very low29.2Very low129 Ų129129.3 Ų129.379%0.79177%0.769SS**  trans-102.5143.4-165.650.60000112.8
365K28.9Very low29.1Very low189 Ų189130.7 Ų130.782%0.82277%0.771SS**  trans84.9133.1152.2-64.8-86.6-179.2177.60119.6
366L30.4Very low29.1Very low143 Ų143136.5 Ų136.575%0.74978%0.777SS**  trans85.4122.9146.2-70.1160.4000120.9
367L31.2Very low28.9Very low154 Ų154134.6 Ų134.681%0.80678%0.776SS**  trans66.6141.5149-60.4163.1000116.9
368D25Very low28.7Very low139 Ų139136.3 Ų136.374%0.74378%0.781SS**  cis-144.6172.72.1-166.315000110.7
369S28.5Very low29.3Very low110 Ų110134.4 Ų134.477%0.76977%0.771SS**  trans-156.8128.3175.4-68.30000113.7
370P37.3Very low29Very low130 Ų130135.2 Ų135.284%0.84477%0.772SS**  -135.5173.6111.633.2-19.6000111.4
371G28Very low29Very low65 Ų65137.3 Ų137.367%0.6778%0.781SS**  cis150.4124.16.500000106.7
372A29.2Very low29.7Very low109 Ų109133.6 Ų133.690%0.90178%0.776SS**  65.6128.871.100000113.8
373A28.1Very low29.8Very low93 Ų93129.4 Ų129.477%0.76977%0.773SS**  cis-133.5-122-9.800000112.1
374T27.4Very low30.8Very low108 Ų108128.5 Ų128.566%0.66377%0.769SS**  cis-161113.67-42.50000112.4
375E24.6Very low31.6Very low164 Ų164128.3 Ų128.377%0.76677%0.771SS**  trans59.1178151.3-62.2-177.4137.200123
376Y29.3Very low31.7Very low206 Ų206123.3 Ų123.381%0.80877%0.772SS**  trans75123.4177.8-63.9-96.2000116.7
377S25Very low31.7Very low116 Ų116121.9 Ų121.981%0.81178%0.781SS**  cis112117.518.2-70.50000112.1
378D27.6Very low31.5Very low152 Ų152118.3 Ų118.381%0.81378%0.782SS**  trans-95.6147176.8-176.638.5000110
379P43.5Very low31.9Very low107 Ų107118.1 Ų118.170%0.69579%0.785SS**  -157.4164.295.839.2-19.3000118.6
380S22.1Very low32.2Very low97 Ų97120.1 Ų120.168%0.67878%0.78SS**  trans120.194.6137.3-47.30000120.9
381V29.6Very low31.9Very low135 Ų135120.8 Ų120.882%0.81877%0.772SS**  33.8132109.7179.40000118.2
382P42.4Very low31.9Very low110 Ų110126.2 Ų126.271%0.71478%0.78SS**  -149.6137.654.923.34.2000122.4
383T29.5Very low31.9Very low133 Ų133130 Ų13082%0.81678%0.778SS**  trans65.2171.1136.79.20000122.8
384P52.2Low31.7Very low109 Ų109130.8 Ų130.871%0.70877%0.77SS**  -136.2-149.2-128.149.3-27000113.7
385P45Very low31.6Very low126 Ų126133.5 Ų133.582%0.81878%0.775SS**  cis-128.8165.3-17.840.3-24.4000115.9
386G29.3Very low31.7Very low83 Ų83130.1 Ų130.186%0.85677%0.769SS**  trans170.4139.4167.200000111.7
387A30.4Very low31.6Very low114 Ų114125.8 Ų125.894%0.94276%0.764SS**  trans-127.6150.3-170.500000113.5
388G28.5Very low31.8Very low79 Ų79128.7 Ų128.781%0.81477%0.765SS**  trans124.995.8166.500000115.4
389V33Very low31.7Very low134 Ų134129.2 Ų129.281%0.81277%0.765SS**  trans-154.5135.2179.71540000106.1
390K33.7Very low30.9Very low152 Ų152128.1 Ų128.166%0.66176%0.759SS**  cis-152.2152.9-2.8-112.8178.3-176.7-106.40108.8
391E31.6Very low31.1Very low144 Ų144131.8 Ų131.867%0.67376%0.763SS**  40.111899-54.9178.1134.100113.7
392E28.2Very low30.8Very low180 Ų180131.2 Ų131.284%0.84176%0.76SS**  61.3125.763.9-69.8-147.8150.200115.5
393H28.6Very low30Very low188 Ų188135.1 Ų135.187%0.8777%0.765SS**  -153.5165.4112.7-144.749000111.1
394D24.6Very low29.9Very low109 Ų109137.2 Ų137.258%0.58376%0.763SS**  trans-140.2175.6-159.6-175.928000111.9
395Q25.6Very low28.6Very low166 Ų166139.1 Ų139.178%0.77676%0.762SS**  trans68.3163165.3-71.9151.359.400118.1
396S25.7Very low27.6Very low92 Ų92138.4 Ų138.464%0.64376%0.755SS**  cis-168.5158-33.8-170.10000112.3
397T27Very low27.5Very low115 Ų115144.5 Ų144.571%0.70675%0.753SS**  trans54.8113.7150.341.90000124.5
398Q30.7Very low27.7Very low177 Ų177147.2 Ų147.283%0.82775%0.746SS**  88.1159114.5-154.9176.24800121.7
399M24Very low27.7Very low163 Ų163152.7 Ų152.780%0.80375%0.747SS**  trans77.3149.7179.2-58.5-152.2-8100114.3
400S27.7Very low27.7Very low84 Ų84153.8 Ų153.859%0.58774%0.743SS**  cis-163.9169.31.2-98.80000108.1
401K25.8Very low27.6Very low174 Ų174156.5 Ų156.576%0.75776%0.756SS**  cis-169.4154.7-9.6-106.8161.9-169156.20110.9
402V22.9Very low27.6Very low124 Ų124154.6 Ų154.675%0.75275%0.754SS**  trans70.8107.5143.5173.90000122.6
403K25.9Very low28Very low191 Ų191151.3 Ų151.383%0.8375%0.746SS**  65.8110.4127.7-161.9166.3-176.1174.80118.7
404K28.3Very low28.2Very low178 Ų178151.1 Ų151.177%0.77474%0.743SS**  -175.2168.973.4-120.9-165.2175.8179.40108
405H24.1Very low29.3Very low148 Ų148151.9 Ų151.969%0.68575%0.745SS**  cis-166.4-175.9-11.9-15425.8000110.5
406V23.3Very low29.9Very low111 Ų111152.5 Ų152.567%0.67375%0.746SS**  trans49.492.5167.5-169.40000115.7
407R27.5Very low31Very low211 Ų211154.8 Ų154.880%0.79675%0.751SS**  73.9128.777-164.5-167-65.5147.9-4114
408E35.8Very low31.9Very low171 Ų171158.5 Ų158.580%0.79976%0.76SS**  trans-72.9167.4-170.1-47.794.5142.400115.4
409K28.4Very low32.6Very low195 Ų195153.8 Ų153.885%0.84876%0.758SS**  trans-160143.7144.5-113.9163.4-172.6179.90112.6
410E33.3Very low33.6Very low156 Ų156149.6 Ų149.673%0.72976%0.758SS**  trans-82.3167.8-178-39.499.1128.400112.8
411F29.8Very low34.3Very low210 Ų210152.7 Ų152.792%0.92177%0.766SS**  trans-95.5102.7157.3-81.9-79.5000109.9V413F411-V413 PolarHBondContact O-N 2.88Å
412T32.3Very low34.9Very low104 Ų104153.2 Ų153.264%0.63877%0.769SS**  trans-72.6113.3-174.4-39.30000112.5K414T412-K414 HydrophobicContact CG2-CG 3.91Å; T412-K414 PolarHBondContact O-N 3.25Å
413V35.8Very low35.9Very low111 Ų111154.5 Ų154.567%0.67377%0.771SS**  trans-81.194.9163.8-179.50000108.4F411 I415F411-V413 PolarHBondContact O-N 2.88Å; V413-I415 PolarHBondContact O-N 3.21Å
414K34.7Very low36.2Very low183 Ų183151 Ų15180%0.79677%0.766SS**  trans-76.293.1171-74.4-165.5174.8-174.30110.2T412T412-K414 HydrophobicContact CG2-CG 3.91Å; T412-K414 PolarHBondContact O-N 3.25Å
415I47.2Very low36.5Very low125 Ų125151.9 Ų151.964%0.64177%0.77SS**  trans-60133.4149.3-60.6174.9000106.3V413 L421V413-I415 PolarHBondContact O-N 3.21Å; I415-L421 HydrophobicContact CG1-CD2 4.49Å
416K38.8Very low37Very low180 Ų180153.8 Ų153.878%0.78378%0.779SS**  trans-115.2132.3162.8-132.1-168.3179.5-1600105.7
417D47.2Very low37.6Very low140 Ų140158.4 Ų158.475%0.74979%0.79SS**SBendtrans-58.9152.8164-47.5-66.2000108.4
418E46.3Very low37.8Very low193 Ų193156.6 Ų156.690%0.90279%0.79SS**SBendtrans68.449.3-164.2-51.4-54.5124.800115.8
419G46.3Very low37.5Very low77 Ų77151.5 Ų151.579%0.79478%0.784SS**SBendtrans88.192.3138.100000120.1
420G43.6Very low37.5Very low76 Ų76150.7 Ų150.778%0.78479%0.788SS**  trans130.8114.4148.300000116.8
421L42.4Very low37.2Very low148 Ų148148 Ų14878%0.77579%0.792SS**  trans-80.3131.1172.7-78.5150.2000111.6I415I415-L421 HydrophobicContact CG1-CD2 4.49Å
422K39.9Very low37.1Very low186 Ų186147.5 Ų147.581%0.80979%0.793SS**  trans-142.5117.9174.5-173.2176-177.8177.80112.1
423L42.5Very low37.3Very low150 Ų150151.6 Ų151.679%0.78580%0.802SS**  trans-88.7140.4170.7-60.7174.4000110.2
424T34Very low36.9Very low119 Ų119157.2 Ų157.273%0.7381%0.811SS**  trans-125.7119.6-179.852.80000111.3
425F33.6Very low36.6Very low196 Ų196154.5 Ų154.586%0.8681%0.812SS**  trans-93.4126.5174.2-69.6-85.8000110.9
426Q34.8Very low35.8Very low188 Ų188158.1 Ų158.188%0.87982%0.823SS**  trans-89.3106.1179.7-171.3173.412.100110.4
427K35.1Very low35.3Very low207 Ų207157.1 Ų157.190%0.983%0.827SS**  trans-91.9101.8173.5-177-178177.8-178.60110
428Q31.6Very low34.8Very low173 Ų173153 Ų15381%0.80882%0.817SS**  trans-83.7152.9168.2-166.2167.5200110.4
429G29.9Very low34.4Very low64 Ų64152.5 Ų152.566%0.6682%0.815SS**  trans-153.7164.7175.400000111.3
430L28.8Very low34Very low179 Ų179155.2 Ų155.294%0.93781%0.811SS**  trans-129.8154.1172.8-74.8171.4000109.2
431A27.6Very low33.8Very low98 Ų98155.1 Ų155.181%0.8181%0.809SS**  trans-152.9147.4-175.600000111.6
432Q27.3Very low34Very low201 Ų201151.1 Ų151.194%0.93980%0.798SS**  trans-147.2167.8164-102.1172.1-10.700109.1
433K35.6Very low34.3Very low190 Ų190147.1 Ų147.183%0.82679%0.785SS**  trans-143.9131.8-162.2-90.6-86.6-171.1176.30113.3
434R27.5Very low34.9Very low228 Ų228142.6 Ų142.686%0.8678%0.775SS**  trans66.8164.8160.6-86.5-162.7-69.7-170.3-0.8115.2
435P29Very low35.5Very low126 Ų126143.6 Ų143.682%0.81877%0.771SS**  cis-95-160.111.640.6-36.4000114.9
436F30.6Very low36.2Very low201 Ų201140.2 Ų140.288%0.88276%0.758SS**  trans-132.4126.9-178.3-160.6-75.5000106.2
437D27.3Very low37.3Very low160 Ų160137.3 Ų137.386%0.85674%0.744SS**  trans-151.7171.9170.7-147.9-21.3000109.1
438G36.7Very low38.4Very low52 Ų52134.8 Ų134.854%0.53673%0.73SS.*  trans-83-161.2-16600000117.7
439E38.1Very low39.7Very low184 Ų184131.7 Ų131.786%0.8672%0.719SS**  trans62.370.8166-48-41.9103.900119.6
440D38.9Very low41Very low134 Ų134132.6 Ų132.672%0.71771%0.712SS**  trans-159.336.5137.4-134.7-20.4000115.7A442D440-A442 VanDerWaalsContact C-N 3.33Å; D440-A442 PolarHBondContact O-N 2.9Å
441G39.2Very low42.5Very low73 Ų73131.7 Ų131.775%0.75370%0.696SS**  trans-75.6-12.8-17700000115.9
442A46.3Very low44Very low64 Ų64130.6 Ų130.653%0.52968%0.676SS.*SBendtrans-85.1-41-160.800000115D440 G444 Q445 Q446D440-A442 VanDerWaalsContact C-N 3.33Å; D440-A442 PolarHBondContact O-N 2.9Å; A442-G444 PolarHBondContact O-N 3.38Å; A442-Q445 PolarHBondContact O-N 2.82Å; A442-Q446 PolarHBondContact O-N 2.7Å
443L46.7Very low45.1Very low102 Ų102130.4 Ų130.453%0.53467%0.667SS.*Hα-helixtrans-67.4-37.4-165.7-69.5173.4000113.6Q445 Q446 Q447L443-Q445 VanDerWaalsContact C-N 3.35Å; L443-Q445 PolarHBondContact O-N 2.71Å; L443-Q446 PolarHBondContact O-N 3.32Å; L443-Q447 WeakPolarHBondContact O-CG 2.9Å; L443-Q447 PolarHBondContact O-N 2.93Å; L443-Q447 VanDerWaalsContact O-N 3.14Å
444G53.8Low46Very low56 Ų56127.2 Ų127.258%0.57765%0.654SS**Hα-helixtrans-65-36.2179.400000113.5A442 Y448A442-G444 PolarHBondContact O-N 3.38Å; G444-Y448 PolarHBondContact O-N 3.05Å
445Q47.6Very low47.1Very low140 Ų140122 Ų12265%0.65464%0.643SS**Hα-helixtrans-76.9-35.1-180-160.1171.126.500111.7A442 L443 Y448 L449A442-Q445 PolarHBondContact O-N 2.82Å; L443-Q445 VanDerWaalsContact C-N 3.35Å; L443-Q445 PolarHBondContact O-N 2.71Å; Q445-Y448 PolarHBondContact O-N 3.07Å; Q445-L449 PolarHBondContact O-N 2.87Å; Q445-L449 VanDerWaalsContact O-N 3.17Å
446Q47.6Very low47.8Very low125 Ų125122.8 Ų122.858%0.58464%0.636SS**Hα-helixtrans-70-37.6177.9-161.9163.713.200112.4A442 L443 Y448 L449 T450A442-Q446 PolarHBondContact O-N 2.7Å; L443-Q446 PolarHBondContact O-N 3.32Å; Q446-Y448 VanDerWaalsContact C-N 3.3Å; Q446-Y448 PolarHBondContact O-N 3.2Å; Q446-L449 PolarHBondContact O-N 2.79Å; Q446-T450 PolarHBondContact O-N 2.84Å; Q446-T450 PolarHBondContact O-OG1 3.19Å
447Q58.1Low48.3Very low127 Ų127116.5 Ų116.559%0.59362%0.617SS**Hα-helixtrans-61.4-36.4172.4-72.1-177.710.700112.7L443 R451L443-Q447 WeakPolarHBondContact O-CG 2.9Å; L443-Q447 PolarHBondContact O-N 2.93Å; L443-Q447 VanDerWaalsContact O-N 3.14Å; Q447-R451 WeakPolarHBondContact O-CB 3.13Å; Q447-R451 PolarHBondContact O-N 2.85Å; Q447-R451 VanDerWaalsContact O-N 3.08Å
448Y58.3Low48.8Very low154 Ų154112.8 Ų112.860%0.60461%0.609SS**Hα-helixtrans-66.4-43.3176.2-177.9-102.7000112.2G444 Q445 Q446 R451 L452G444-Y448 PolarHBondContact O-N 3.05Å; Q445-Y448 PolarHBondContact O-N 3.07Å; Q446-Y448 VanDerWaalsContact C-N 3.3Å; Q446-Y448 PolarHBondContact O-N 3.2Å; Y448-R451 PolarHBondContact O-N 3.18Å; Y448-L452 HydrophobicContact CD1-CD1 3.94Å; Y448-L452 HydrophobicContact CE1-CD1 3.5Å; Y448-L452 HydrophobicContact CE1-CG 4.49Å; Y448-L452 PolarHBondContact O-N 3.19Å; Y448-L452 VanDerWaalsContact O-N 3.1Å
449L59.7Low49.1Very low107 Ų107115 Ų11556%0.5662%0.615SS**Hα-helixtrans-69-38.6177.7-68.7173.1000112.9Q445 Q446 L452 R453Q445-L449 PolarHBondContact O-N 2.87Å; Q445-L449 VanDerWaalsContact O-N 3.17Å; Q446-L449 PolarHBondContact O-N 2.79Å; L449-L452 PolarHBondContact O-N 3.13Å; L449-R453 PolarHBondContact O-N 3.32Å
450T56.8Low49Very low84 Ų84114 Ų11452%0.51561%0.611SS.*Hα-helixtrans-62.2-45.8173.6-620000111.1Q446 L452 R453 E454Q446-T450 PolarHBondContact O-N 2.84Å; Q446-T450 PolarHBondContact O-OG1 3.19Å; T450-L452 VanDerWaalsContact C-N 3.28Å; T450-L452 PolarHBondContact O-N 2.98Å; T450-R453 WeakPolarHBondContact O-CB 3.34Å; T450-R453 PolarHBondContact O-N 3.27Å; T450-R453 VanDerWaalsContact O-N 3.13Å; T450-E454 WeakPolarHBondContact O-CB 3.35Å; T450-E454 PolarHBondContact O-N 3.41Å
451R60.8Low48.9Very low160 Ų160113.7 Ų113.760%0.60461%0.614SS**Hα-helixtrans-64.4-29.2178-171.9173.8-73.4152.5-1.4113.1Q447 Y448 L455Q447-R451 WeakPolarHBondContact O-CB 3.13Å; Q447-R451 PolarHBondContact O-N 2.85Å; Q447-R451 VanDerWaalsContact O-N 3.08Å; Y448-R451 PolarHBondContact O-N 3.18Å; R451-L455 WeakPolarHBondContact O-CD1 3.42Å; R451-L455 VanDerWaalsContact O-CG 3.3Å; R451-L455 WeakPolarHBondContact O-CG 3.43Å; R451-L455 PolarHBondContact O-N 3.09Å
452L57.6Low48.4Very low75 Ų75115.5 Ų115.539%0.39362%0.615SS.*Hα-helixtrans-70.9-42.4170.9-79.3169.1000112.5Y448 L449 T450 L455 Q456Y448-L452 HydrophobicContact CD1-CD1 3.94Å; Y448-L452 HydrophobicContact CE1-CD1 3.5Å; Y448-L452 HydrophobicContact CE1-CG 4.49Å; Y448-L452 PolarHBondContact O-N 3.19Å; Y448-L452 VanDerWaalsContact O-N 3.1Å; L449-L452 PolarHBondContact O-N 3.13Å; T450-L452 VanDerWaalsContact C-N 3.28Å; T450-L452 PolarHBondContact O-N 2.98Å; L452-L455 PolarHBondContact O-N 2.75Å; L452-Q456 PolarHBondContact O-N 3.31Å
453R50.6Low47.6Very low197 Ų197120.5 Ų120.574%0.74363%0.632SS**Hα-helixtrans-62.2-44.1175.7-176.3178-67.4-179.1-1.4111.6L449 T450 L455 Q456 S457L449-R453 PolarHBondContact O-N 3.32Å; T450-R453 WeakPolarHBondContact O-CB 3.34Å; T450-R453 PolarHBondContact O-N 3.27Å; T450-R453 VanDerWaalsContact O-N 3.13Å; R453-L455 VanDerWaalsContact C-N 3.32Å; R453-L455 PolarHBondContact O-N 3.02Å; R453-Q456 PolarHBondContact O-N 3.44Å; R453-S457 PolarHBondContact O-N 3.07Å; R453-S457 PolarHBondContact O-OG 3.08Å
454E53.9Low46.9Very low122 Ų122120.8 Ų120.857%0.5764%0.638SS**Hα-helixtrans-58.5-42.3177.9-168.6170.2-132.500111.9T450 Q456 S457 A458T450-E454 WeakPolarHBondContact O-CB 3.35Å; T450-E454 PolarHBondContact O-N 3.41Å; E454-Q456 VanDerWaalsContact C-N 3.34Å; E454-Q456 PolarHBondContact O-N 3.24Å; E454-S457 WeakPolarHBondContact CA-OG 3.39Å; E454-S457 PolarHBondContact O-N 2.91Å; E454-S457 PolarHBondContact O-OG 2.9Å; E454-A458 WeakPolarHBondContact O-CB 3.14Å; E454-A458 PolarHBondContact O-N 2.78Å
455L51.1Low45.8Very low118 Ų118124.6 Ų124.662%0.61865%0.645SS**Hα-helixtrans-68-25.7174.3-75.3169000114.2R451 L452 R453R451-L455 WeakPolarHBondContact O-CD1 3.42Å; R451-L455 VanDerWaalsContact O-CG 3.3Å; R451-L455 WeakPolarHBondContact O-CG 3.43Å; R451-L455 PolarHBondContact O-N 3.09Å; L452-L455 PolarHBondContact O-N 2.75Å; R453-L455 VanDerWaalsContact C-N 3.32Å; R453-L455 PolarHBondContact O-N 3.02Å
456Q43.4Very low45Very low143 Ų143126.1 Ų126.167%0.66865%0.65SS**Hα-helixtrans-77.5-45.6171.8-71.1-173.4-92.700111.3L452 R453 E454 A458 S459L452-Q456 PolarHBondContact O-N 3.31Å; R453-Q456 PolarHBondContact O-N 3.44Å; E454-Q456 VanDerWaalsContact C-N 3.34Å; E454-Q456 PolarHBondContact O-N 3.24Å; Q456-A458 PolarHBondContact O-N 2.99Å; Q456-S459 PolarHBondContact O-N 3.03Å; Q456-S459 PolarHBondContact O-OG 2.86Å
457S41.1Very low45Very low70 Ų70125.2 Ų125.249%0.4965%0.654SS.*Hα-helixtrans-60.4-30.8176.6440000113.4R453 E454 S459 E460R453-S457 PolarHBondContact O-N 3.07Å; R453-S457 PolarHBondContact O-OG 3.08Å; E454-S457 WeakPolarHBondContact CA-OG 3.39Å; E454-S457 PolarHBondContact O-N 2.91Å; E454-S457 PolarHBondContact O-OG 2.9Å; S457-S459 PolarHBondContact O-N 2.97Å; S457-S459 VanDerWaalsContact O-N 3.13Å; S457-E460 PolarHBondContact O-N 3.41Å
458A39.7Very low43.5Very low82 Ų82128.5 Ų128.568%0.67867%0.667SS**THydrogen-bonded Turntrans-67.8-4.417500000114.5E454 Q456E454-A458 WeakPolarHBondContact O-CB 3.14Å; E454-A458 PolarHBondContact O-N 2.78Å; Q456-A458 PolarHBondContact O-N 2.99Å
459S41.9Very low41.9Very low97 Ų97126.6 Ų126.668%0.67868%0.676SS**THydrogen-bonded Turntrans-104.5-2.6177.768.90000114.9Q456 S457Q456-S459 PolarHBondContact O-N 3.03Å; Q456-S459 PolarHBondContact O-OG 2.86Å; S457-S459 PolarHBondContact O-N 2.97Å; S457-S459 VanDerWaalsContact O-N 3.13Å
460E36.5Very low40.5Very low165 Ų165129.5 Ų129.577%0.77169%0.69SS**SBendtrans-124.330.2-171.6-64.2-171157.900114.5S457S457-E460 PolarHBondContact O-N 3.41Å
461T35.3Very low39.7Very low127 Ų127131 Ų13178%0.77970%0.702SS**  trans-148.886.9169.238.90000114.5
462S30.5Very low38.2Very low110 Ų110130.1 Ų130.177%0.76971%0.714SS**  trans-158.7131.6155.1690000110.8
463L29.4Very low36.9Very low170 Ų170132.1 Ų132.189%0.8973%0.734SS**  trans67.8144.3-156.8-47174000110.9
464V31.8Very low35.8Very low108 Ų108125.5 Ų125.566%0.65573%0.727SS**  cis-133.515921.8-177.10000111F466V464-F466 HydrophobicContact CG1-CD1 4.45Å; V464-F466 HydrophobicContact CG1-CE1 4.21Å; V464-F466 HydrophobicContact CG1-CZ 4.34Å
465N30.1Very low34.5Very low136 Ų136127 Ų12773%0.72775%0.745SS**  trans157138.8140.8-78.4-7.3000109.5
466F30.1Very low33.3Very low172 Ų172126.3 Ų126.375%0.75475%0.75SS**  cis-171.5-174.2-20.2-111.8-34.9000106.8V464V464-F466 HydrophobicContact CG1-CD1 4.45Å; V464-F466 HydrophobicContact CG1-CE1 4.21Å; V464-F466 HydrophobicContact CG1-CZ 4.34Å
467P47.9Very low32.6Very low105 Ų105127 Ų12768%0.68276%0.757SS**  cis-137.7170.79.942.7-24.4000118.6
468K26.3Very low32Very low196 Ų196131.7 Ų131.785%0.85277%0.771SS**  trans60113.2145.2-77.8174.2176.4178.30122.3
469S25.2Very low32.1Very low114 Ų114132.5 Ų132.580%0.79777%0.769SS**  -160.8112108.361.30000113.8
470I29.8Very low31.3Very low169 Ų169133.2 Ų133.287%0.86777%0.769SS**  trans38.1138.3139.1-62.2176.8000121
471P41.6Very low30.9Very low116 Ų116133.7 Ų133.775%0.75378%0.777SS**  trans-110.6178.3-166.243.8-36.5000116
472V28Very low30.5Very low141 Ų141131.2 Ų131.286%0.85578%0.776SS**  trans-158.3159.9144.3126.50000112.3
473S30.5Very low30.5Very low116 Ų116130.3 Ų130.381%0.81178%0.775SS**  trans-48.7165.7178.9-44.20000116.8
474G26.9Very low30.5Very low59 Ų59130.3 Ų130.361%0.60878%0.776SS**  cis136.9145-2.100000113
475T27.9Very low30.4Very low153 Ų153129 Ų12994%0.93978%0.784SS**  trans60.3162.717846.70000116.7
476S25.7Very low30.4Very low104 Ų104128.7 Ų128.773%0.72779%0.787SS**  cis-169.2179.7-29-174.20000108.8
477I28.8Very low30.4Very low158 Ų158127.4 Ų127.481%0.8179%0.787SS**  trans81.7140.3162-54.5179000118.9
478Q27.8Very low29.4Very low167 Ų167129.5 Ų129.578%0.7879%0.792SS**  trans-124.1157.8164-86.4-101-13.300106.1
479P41.8Very low29.6Very low99 Ų99125.7 Ų125.764%0.64378%0.78SS**  cis-155-157.638.840.7-16.1000116.7
480T25.8Very low29.6Very low112 Ų112126.1 Ų126.169%0.68777%0.774SS**  trans80.4129.6146.943.40000124.6
481L28Very low29.5Very low176 Ų176126.5 Ų126.592%0.92177%0.772SS**  trans58.5133.2145.8-92.567.5000122.2
482G27.5Very low29Very low75 Ų75126.4 Ų126.477%0.77377%0.771SS**  trans154.7103.715200000118.8
483A28.8Very low29.1Very low91 Ų91127.5 Ų127.575%0.75277%0.771SS**  trans20.7133.615100000124.5
484N29.5Very low29.1Very low169 Ų169127.9 Ų127.990%0.90477%0.768SS**  trans48.9117.4134.7-54.3-14.6000121.7
485G31.1Very low29.2Very low80 Ų80134.7 Ų134.783%0.82578%0.781SS**  trans-179.379.9168.700000117.5
486V30.2Very low29.6Very low130 Ų130137 Ų13779%0.78878%0.778SS**  trans2.3122.2152.9175.80000119.8
487I28.9Very low29.9Very low145 Ų145143.6 Ų143.674%0.74479%0.787SS**  trans40.1121131.7-50178.5000116.8
488L28.2Very low30.1Very low150 Ų150148.4 Ų148.479%0.78579%0.794SS**  cis-149.9-163.235.1-149.464000108.4
489D28.7Very low30.2Very low116 Ų116143.5 Ų143.562%0.6279%0.789SS**  cis-155-173-1.6-163.237.2000113.6
490N25.6Very low30.1Very low123 Ų123150.8 Ų150.866%0.65880%0.804SS**  trans-49.4136.9175.5-61.3-68.1000118.2
491Q27.6Very low30.8Very low176 Ų176156.6 Ų156.682%0.82281%0.813SS**  -179.2133.3111.1-95.2-70.4-28.400110.5
492P32.2Very low31.2Very low115 Ų115157.6 Ų157.675%0.74781%0.81SS**  trans-94139.2-17534.6-34.3000114.5
493I29.1Very low31.5Very low164 Ų164161.4 Ų161.484%0.84181%0.813SS**  trans-116.6130.2-178.7-136.1160.5000114
494V31.5Very low31.7Very low124 Ų124163.9 Ų163.975%0.75282%0.818SS**  trans45104157.7-178.60000119.2K496V494-K496 PolarHBondContact O-N 3.47Å
495K29.6Very low31.9Very low201 Ų201164.5 Ų164.587%0.87482%0.816SS**  trans-75.6107.8160.1-74172.2178.41650111.5
496K34.7Very low32.1Very low201 Ų201164.2 Ų164.287%0.87481%0.813SS**  trans-103.6140.2168.4-163167.4-176.5173.30112.1V494V494-K496 PolarHBondContact O-N 3.47Å
497R32.9Very low32.1Very low244 Ų244165 Ų16592%0.92182%0.818SS**  trans-82121.6-166.5-59.8158.6103.6-178.88.9113.6
498R33.1Very low32.3Very low258 Ų258164.7 Ų164.797%0.97482%0.818SS**  trans-167.7157148.7-101.6174.9-175.3-162.41.7106.8
499G29.6Very low32.8Very low65 Ų65163.7 Ų163.767%0.6781%0.812SS**  cis177.1148.3-4.500000109.8R501G499-R501 PolarHBondContact O-N 3.14Å; G499-R501 VanDerWaalsContact O-N 3.17Å
500R39.5Very low32.9Very low252 Ų252167 Ų16795%0.95182%0.821SS**  trans-57.6112.7-173.7178.2-173.8177.2-1560.2113.2
501R41.7Very low32.9Very low233 Ų233170.8 Ų170.888%0.87983%0.832SS**  trans-122.7120.6157.4-71.2-177.2166.2-169.7-6106.3G499G499-R501 PolarHBondContact O-N 3.14Å; G499-R501 VanDerWaalsContact O-N 3.17Å
502K36.1Very low33.1Very low197 Ų197172.1 Ų172.186%0.85784%0.835SS**  64.4122.377-84.4-155.5172.8-166.90111.5
503N32.1Very low32.8Very low156 Ų156174.1 Ų174.183%0.83484%0.84SS**  trans-66.2152.7-176.3-46.5-5000111.1
504V33.5Very low32.6Very low143 Ų143176.7 Ų176.787%0.86784%0.839SS**  trans-133142.7156.6178.10000105.7
505E35.2Very low32.2Very low181 Ų181177.5 Ų177.585%0.84684%0.839SS**  trans-104.7148.7-175-63.6174.1137.400111
506G34.9Very low32.7Very low75 Ų75177.8 Ų177.877%0.77384%0.84SS**  trans77.8126.5158.100000118
507V29.4Very low32.5Very low147 Ų147173.9 Ų173.989%0.89184%0.836SS**  176.2142.3118.3152.50000107.6
508D33.8Very low32.8Very low138 Ų138167.5 Ų167.574%0.73883%0.826SS**  trans-85.8156-165.3-76.1-69.9000116.1
509I38.2Very low32.4Very low128 Ų128162.3 Ų162.366%0.65682%0.817SS**  trans31113.7139.9-53.9167000117.2
510F29.9Very low32.2Very low185 Ų185166.4 Ų166.481%0.81182%0.819SS**  179.7132.7115.2-92.9-62.3000110.7
511F25.6Very low31.6Very low204 Ų204159.9 Ų159.990%0.89581%0.807SS**  171.3141.4114.9-103.6-77.4000111.3
512F31.9Very low30.7Very low203 Ų203153 Ų15389%0.8979%0.794SS**  trans-84.5149.7178.7-110.9-95.2000112.3R514F512-R514 PolarHBondContact O-N 2.77Å
513N26.5Very low30.3Very low158 Ų158151.4 Ų151.485%0.84579%0.794SS**  trans-63.7118.5166.7173.87.5000110.6
514R25.6Very low29.9Very low218 Ų218147.1 Ų147.182%0.82379%0.787SS**  trans-157.6121.9161.7-171.7171.9170.1149.3-5.2110.3F512F512-R514 PolarHBondContact O-N 2.77Å
515N23.2Very low29.6Very low140 Ų140147.5 Ų147.575%0.74978%0.783SS**  trans171.7100.4132.1-86.4-18.1000111.9
516K38.4Very low29.1Very low207 Ų207144.9 Ų144.990%0.978%0.78SS**  trans-95.4125.4140.2-87.5-172.2173.7-176.90107.2
517P31.6Very low28.6Very low120 Ų120147.1 Ų147.178%0.77978%0.784SS**  trans-88.8161.2162.533.7-30000111.5
518P38.9Very low28.4Very low110 Ų110144.9 Ų144.971%0.71478%0.775SS**  trans-122.1177.9-163.143.3-31.4000114.7
519N25.1Very low28Very low149 Ų149147 Ų14780%0.79778%0.78SS**  trans177.9161.4136.3-88-31.7000107.8
520H26Very low27.3Very low150 Ų150148.3 Ų148.369%0.69479%0.787SS**  cis-159131.626.4-162.7-140.7000112.1
521V26.6Very low27Very low116 Ų116144.2 Ų144.270%0.70378%0.781SS**  trans53.4161.9159.9-72.10000120.6
522S23Very low27Very low88 Ų88140.8 Ų140.862%0.61578%0.777SS**  cis-152.4152.99.2-135.50000114.4
523L25.8Very low26.6Very low164 Ų164134.8 Ų134.886%0.85977%0.773SS**  trans41.4140.6145.5-59.1164.2000121.4
524G24.3Very low26.7Very low66 Ų66135.3 Ų135.368%0.6877%0.773SS**  cis169.6167.8-4.500000114.9
525L28Very low26.9Very low150 Ų150132.4 Ų132.479%0.78577%0.774SS**  trans59.7107.8160.6-80.383.6000123.4
526T23.5Very low27.5Very low127 Ų127131.4 Ų131.478%0.77978%0.776SS**  73.8142.3125.560.80000124.9
527S24.5Very low26.7Very low122 Ų122126.2 Ų126.285%0.85377%0.771SS**  trans91163.3155.2-1450000118.4
528S26.4Very low26.8Very low100 Ų100128.6 Ų128.670%0.69978%0.776SS**  trans-135.3156.9-151.2-56.10000114.6
529Q25.3Very low26Very low183 Ų183128.9 Ų128.986%0.85578%0.781SS**  trans79.8145.5152-76.3179.8-43.600121.4
530I24.2Very low26.1Very low155 Ų155130.8 Ų130.880%0.79578%0.778SS**  trans71.7119.7161.4-10-179.6000122.2
531S23.6Very low26Very low98 Ų98130.1 Ų130.169%0.68579%0.785SS**  trans92.8141.6132.8-1060000124.6
532T24.6Very low26.1Very low132 Ų132129.8 Ų129.881%0.8178%0.776SS**  trans51.1105.2151.250.50000118.8
533G23.5Very low27.2Very low78 Ų78129.7 Ų129.780%0.80477%0.773SS**  trans-82.5-172175.500000115.5
534I28.4Very low27.3Very low168 Ų168131.5 Ų131.586%0.86278%0.777SS**  trans-151.9135.3156.9-94.9152.4000105.2
535N30Very low27.4Very low157 Ų157131.1 Ų131.184%0.8477%0.773SS**  trans-94.1156.3170.9-78.4-52.3000109.5
536P34.9Very low27.7Very low120 Ų120131.4 Ų131.478%0.77977%0.774SS**  -141.2170.3101.238-25.6000115.2
537A23.5Very low28.9Very low97 Ų97129.1 Ų129.180%0.80276%0.761SS**  trans63.890.5165.500000118.2
538L32.4Very low29.9Very low171 Ų171128.9 Ų128.990%0.89575%0.75SS**  trans-68150.2151.4-83.3161.4000110.6
539S22.4Very low31.4Very low116 Ų116128.7 Ų128.781%0.81175%0.745SS**  trans-147.792.9162-76.30000109.9
540Y27.2Very low32.9Very low188 Ų188124.4 Ų124.474%0.73773%0.725SS**  trans-84.9128.9176.2174.1-88.8000109.7Q542Y540-Q542 HydrophobicContact CE1-CB 3.8Å
541T23.3Very low35.3Very low137 Ų137118.7 Ų118.784%0.8470%0.699SS**  trans-132.387176.341.20000112.5
542Q28.7Very low38Very low108 Ų108116.2 Ų116.251%0.50568%0.681SS.*  trans-82-179.5141.2-119.3-157.5-8.100108.4Y540Y540-Q542 HydrophobicContact CE1-CB 3.8Å
543P46.4Very low40.7Very low86 Ų86110.7 Ų110.756%0.55865%0.647SS**  cis-134169-1038-22.1000114.9
544Q28Very low43.5Very low203 Ų203110 Ų11095%0.94963%0.627SS**SBend-167.6115.2122.7-103.5159.27.400109.8
545G26.6Very low46.1Very low57 Ų57102 Ų10259%0.58859%0.587SS**SBendcis-157.2165.5-2.600000115.2
546I33.6Very low48.6Very low156 Ų15696 Ų9680%0.856%0.555SS**  trans42.185.2164.2-39.3-179.6000116.9
547P49.1Very low50.8Low80 Ų8090.8 Ų90.852%0.51952%0.52SS..  trans-79.2129.7151.732.6-29.7000110.4T549P547-T549 PolarHBondContact O-N 2.9Å; P547-T549 VanDerWaalsContact O-N 3.13Å
548D46.4Very low53.4Low116 Ų11692.4 Ų92.462%0.6251%0.514SS*.  trans-64111.5177.7-100.5-38.5000112R572D548-R572 PolarHBondContact O-NH1 2.97Å
549T57.5Low55.1Low96 Ų9692.2 Ų92.259%0.58951%0.506SS*.SBendtrans-78.9-21.6178.8510000113.2P547P547-T549 PolarHBondContact O-N 2.9Å; P547-T549 VanDerWaalsContact O-N 3.13Å
550E57.3Low57.3Low94 Ų9492.4 Ų92.444%0.43950%0.498SS..SBendtrans-84.1-11.4178-76.6-80.491.100113.6K571 K573E550-K571 WeakPolarHBondContact O-CG 3.46Å; E550-K571 WeakPolarHBondContact OE1-CD 3.49Å; E550-K571 IonicContact OE1-NZ 3.72Å; E550-K571 PolarHBondContact OE1-NZ 3Å; E550-K571 IonicContact OE2-NZ 3.66Å; E550-K571 PolarHBondContact OE2-NZ 3.04Å; E550-K573 IonicContact OE1-NZ 3.33Å; E550-K573 PolarHBondContact OE1-NZ 3.14Å
551S73.7Confident59.3Low35 Ų3585.6 Ų85.625%0.24549%0.486CS..  trans-66.5126-171.4166.40000112.1R572S551-R572 VanDerWaalsContact CB-NH1 3.3Å; S551-R572 WeakPolarHBondContact O-CB 3.49Å; S551-R572 PolarHBondContact O-N 3.06Å; S551-R572 PolarHBondContact OG-NH1 3.43Å; S551-R572 PolarHBondContact OG-NH2 2.74Å
552P79.6Confident61.9Low46 Ų4682.2 Ų82.230%0.29946%0.464SS..BIsolated β-bridgetrans-70.1147.2177.327.9-34000112G566 A569P552-G566 WeakPolarHBondContact CB-O 3.46Å; P552-G566 WeakPolarHBondContact CG-O 3.5Å; P552-A569 HydrophobicContact CB-CB 4.22Å; P552-A569 WeakPolarHBondContact CB-O 3.17Å
553V81.3Confident64.4Low16 Ų1683.1 Ų83.110%0.09746%0.463CS..  trans-113122.9179.8177.20000109.8V555 A569 P570 R572 L575V553-V555 WeakPolarHBondContact O-CG2 3.28Å; V553-A569 WeakPolarHBondContact O-CB 3.29Å; V553-P570 PolarHBondContact N-O 2.81Å; V553-R572 HydrophobicContact CG2-CB 3.74Å; V553-R572 HydrophobicContact CG2-CG 3.9Å; V553-L575 HydrophobicContact CB-CD1 4.28Å; V553-L575 HydrophobicContact CB-CD2 3.97Å; V553-L575 HydrophobicContact CG1-CD1 4.27Å; V553-L575 HydrophobicContact CG1-CD2 3.76Å; V553-L575 HydrophobicContact CG2-CD2 4.06Å
554P83.1Confident65.9Low62 Ų6281 Ų8140%0.40345%0.447SS..  trans-65132.8178.2-2435.1000113.3L564 A565 D588P554-L564 VanDerWaalsContact CA-O 3.31Å; P554-L564 WeakPolarHBondContact CA-O 3.31Å; P554-A565 HydrophobicContact CB-CB 4.2Å; P554-A565 HydrophobicContact CG-CB 4.45Å; P554-D588 PolarHBondContact O-N 2.79Å
555V83.1Confident68.4Low1 Ų173.3 Ų73.31%0.00642%0.418CS..EExtended strand (participates in β ladder)trans-139138.9-172.4170.90000109.7V553 L564 P570 L575 W578 L579 Y585V553-V555 WeakPolarHBondContact O-CG2 3.28Å; V555-L564 PolarHBondContact N-O 3.47Å; V555-L564 VanDerWaalsContact N-O 3.11Å; V555-L564 PolarHBondContact O-N 3.4Å; V555-P570 HydrophobicContact CB-CG 4.44Å; V555-P570 HydrophobicContact CG2-CG 3.89Å; V555-L575 HydrophobicContact CG2-CD1 3.62Å; V555-W578 HydrophobicContact CB-CZ3 4.39Å; V555-W578 HydrophobicContact CG1-CE3 4.2Å; V555-W578 HydrophobicContact CG1-CH2 4.03Å; V555-W578 HydrophobicContact CG1-CZ3 3.43Å; V555-W578 VanDerWaalsContact CG1-CZ3 3.43Å; V555-L579 HydrophobicContact CG1-CD2 3.89Å; V555-L579 HydrophobicContact CG2-CD2 4.48Å; V555-Y585 HydrophobicContact CG1-CD1 3.87Å; V555-Y585 HydrophobicContact CG1-CG 4.22Å
556I82.6Confident70.8Confident32 Ų3271.9 Ų71.916%0.16440%0.403CS..EExtended strand (participates in β ladder)trans-125.2135.9-171.4-176.9174.2000112.4T562 R563 Y585 V586 D588I556-T562 CarbonylContact C-O 3.29Å; I556-T562 WeakPolarHBondContact CA-O 3.11Å; I556-R563 HydrophobicContact CB-CG 4.11Å; I556-R563 HydrophobicContact CD1-CG 3.76Å; I556-R563 HydrophobicContact CG1-CG 3.76Å; I556-Y585 VanDerWaalsContact C-CD1 3.46Å; I556-Y585 CarbonylContact O-C 3.36Å; I556-Y585 VanDerWaalsContact O-CA 3.25Å; I556-Y585 WeakPolarHBondContact O-CA 3.24Å; I556-V586 WeakPolarHBondContact CG2-O 3.4Å; I556-V586 PolarHBondContact N-O 3.29Å; I556-V586 PolarHBondContact O-N 3.39Å; I556-D588 HydrophobicContact CB-CB 4.46Å; I556-D588 HydrophobicContact CG2-CB 4.01Å
557N81.5Confident72.7Confident10 Ų1072.4 Ų72.45%0.05341%0.408CS..EExtended strand (participates in β ladder)trans-77.7122174-169.8-22.7000110.9K559 D560 G561 T562 G584 Y585N557-K559 VanDerWaalsContact C-N 3.28Å; N557-K559 PolarHBondContact O-N 3.21Å; N557-K559 WeakPolarHBondContact OD1-CB 3.42Å; N557-K559 PolarHBondContact OD1-N 2.75Å; N557-D560 PolarHBondContact ND2-OD2 2.91Å; N557-D560 PolarHBondContact OD1-N 2.76Å; N557-G561 VanDerWaalsContact O-CA 3.29Å; N557-G561 WeakPolarHBondContact O-CA 3.44Å; N557-G561 PolarHBondContact O-N 2.93Å; N557-T562 WeakPolarHBondContact CB-OG1 3.48Å; N557-T562 PolarHBondContact N-O 3.36Å; N557-T562 PolarHBondContact ND2-OG1 2.85Å; N557-G584 PolarHBondContact OD1-O 3.27Å; N557-Y585 HydrophobicContact CB-CD1 3.77Å; N557-Y585 HydrophobicContact CB-CD2 4.21Å; N557-Y585 HydrophobicContact CB-CE1 3.54Å; N557-Y585 HydrophobicContact CB-CE2 3.99Å; N557-Y585 HydrophobicContact CB-CG 4.12Å; N557-Y585 VanDerWaalsContact N-CD1 3.27Å
558L77.1Confident73.7Confident130 Ų13074.9 Ų74.968%0.68142%0.417SS*.THydrogen-bonded Turntrans-72.1-18.1178.4-67.3176.2000113.8G584 V586L558-G584 PolarHBondContact N-O 2.92Å; L558-V586 HydrophobicContact CD1-CG2 3.67Å; L558-V586 HydrophobicContact CG-CG2 4.16Å
559K68.7Low75.4Confident168 Ų16869.7 Ų69.773%0.7339%0.39SS*.THydrogen-bonded Turntrans-93.5-48.3-177.8-60176.8-177.6174.70111.7N557N557-K559 VanDerWaalsContact C-N 3.28Å; N557-K559 PolarHBondContact O-N 3.21Å; N557-K559 WeakPolarHBondContact OD1-CB 3.42Å; N557-K559 PolarHBondContact OD1-N 2.75Å
560D67.7Low76.4Confident119 Ų11965.8 Ų65.864%0.63637%0.366SS*.THydrogen-bonded Turntrans-107.2-6.5-170.4-49-62.1000113.4N557 T562N557-D560 PolarHBondContact ND2-OD2 2.91Å; N557-D560 PolarHBondContact OD1-N 2.76Å; D560-T562 HydrophobicContact CB-CG2 4.39Å; D560-T562 PolarHBondContact O-N 3.22Å; D560-T562 VanDerWaalsContact O-N 3.17Å
561G70.7Confident77.7Confident46 Ų4664.9 Ų64.947%0.47436%0.361SS..  trans71.12.4179.400000115.3N557N557-G561 VanDerWaalsContact O-CA 3.29Å; N557-G561 WeakPolarHBondContact O-CA 3.44Å; N557-G561 PolarHBondContact O-N 2.93Å
562T76.3Confident78Confident65 Ų6569.1 Ų69.140%0.39937%0.372SS..  trans-62.1136.1177.251.80000111.2I556 N557 D560 Y585I556-T562 CarbonylContact C-O 3.29Å; I556-T562 WeakPolarHBondContact CA-O 3.11Å; N557-T562 WeakPolarHBondContact CB-OG1 3.48Å; N557-T562 PolarHBondContact N-O 3.36Å; N557-T562 PolarHBondContact ND2-OG1 2.85Å; D560-T562 HydrophobicContact CB-CG2 4.39Å; D560-T562 PolarHBondContact O-N 3.22Å; D560-T562 VanDerWaalsContact O-N 3.17Å; T562-Y585 PolarHBondContact OG1-OH 2.84Å
563R81.1Confident78Confident127 Ų12772.6 Ų72.648%0.47938%0.382SS..EExtended strand (participates in β ladder)trans-120.6119.5-177.3-71.7167169.6-100.2-16.4109.3I556 D588I556-R563 HydrophobicContact CB-CG 4.11Å; I556-R563 HydrophobicContact CD1-CG 3.76Å; I556-R563 HydrophobicContact CG1-CG 3.76Å; R563-D588 IonicContact CZ-OD2 2.71Å; R563-D588 IonicContact NH1-OD2 3.39Å; R563-D588 PolarHBondContact NH1-OD2 3.04Å; R563-D588 IonicContact NH2-OD2 3.23Å; R563-D588 PolarHBondContact NH2-OD2 3.2Å
564L78.4Confident78Confident43 Ų4375 Ų7523%0.22539%0.394CS..EExtended strand (participates in β ladder)trans-93.4121.6172.5-57.6178.3000108P554 V555 D568 A569 W578 Y585P554-L564 VanDerWaalsContact CA-O 3.31Å; P554-L564 WeakPolarHBondContact CA-O 3.31Å; V555-L564 PolarHBondContact N-O 3.47Å; V555-L564 VanDerWaalsContact N-O 3.11Å; V555-L564 PolarHBondContact O-N 3.4Å; L564-D568 HydrophobicContact CD2-CB 4.48Å; L564-A569 HydrophobicContact CB-CB 4.12Å; L564-W578 HydrophobicContact CD1-CH2 3.71Å; L564-W578 HydrophobicContact CD1-CZ2 3.51Å; L564-Y585 HydrophobicContact CD1-CE1 4.11Å; L564-Y585 HydrophobicContact CG-CE1 4.29Å
565A80.8Confident78Confident40 Ų4072.7 Ų72.733%0.33138%0.378SS..  trans-158.2113.6-175.600000114P554 R595P554-A565 HydrophobicContact CB-CB 4.2Å; P554-A565 HydrophobicContact CG-CB 4.45Å; A565-R595 PolarHBondContact O-NH1 3.17Å; A565-R595 VanDerWaalsContact O-NH1 3.12Å
566G77.8Confident77.8Confident27 Ų2780.9 Ų80.928%0.27842%0.417SS..SBendtrans115.9-144.5-169.100000108.5P552 D568 A569P552-G566 WeakPolarHBondContact CB-O 3.46Å; P552-G566 WeakPolarHBondContact CG-O 3.5Å; G566-D568 PolarHBondContact O-N 3.24Å; G566-A569 WeakPolarHBondContact O-CB 3.32Å; G566-A569 PolarHBondContact O-N 2.7Å; G566-A569 VanDerWaalsContact O-N 3.14Å
567D72.1Confident77.8Confident167 Ų16786 Ų8689%0.89344%0.438SS*.THydrogen-bonded Turntrans-68-23.3-176.9-47.2-56.5000112.7A569D567-A569 PolarHBondContact O-N 2.82Å
568D71.4Confident78.1Confident132 Ų13288 Ų8871%0.70644%0.444SS*.THydrogen-bonded Turntrans-72.4-3.9173.4-52.9-54000114.5L564 G566L564-D568 HydrophobicContact CD2-CB 4.48Å; G566-D568 PolarHBondContact O-N 3.24Å
569A81.9Confident78.4Confident7 Ų783.6 Ų83.66%0.05842%0.421CS..SBendtrans-108.8142.5-171.100000112.2P552 V553 L564 G566 D567 K571P552-A569 HydrophobicContact CB-CB 4.22Å; P552-A569 WeakPolarHBondContact CB-O 3.17Å; V553-A569 WeakPolarHBondContact O-CB 3.29Å; L564-A569 HydrophobicContact CB-CB 4.12Å; G566-A569 WeakPolarHBondContact O-CB 3.32Å; G566-A569 PolarHBondContact O-N 2.7Å; G566-A569 VanDerWaalsContact O-N 3.14Å; D567-A569 PolarHBondContact O-N 2.82Å; A569-K571 PolarHBondContact O-N 3.33Å
570P78.8Confident79Confident14 Ų1484.2 Ų84.29%0.09142%0.424CS..  trans-58.6134.9-173.223.1-34.4000112.4V553 V555 L575 W578V553-P570 PolarHBondContact N-O 2.81Å; V555-P570 HydrophobicContact CB-CG 4.44Å; V555-P570 HydrophobicContact CG2-CG 3.89Å; P570-L575 HydrophobicContact CB-CD1 4.35Å; P570-L575 HydrophobicContact CG-CD1 3.76Å; P570-W578 HydrophobicContact CB-CB 4.02Å; P570-W578 HydrophobicContact CB-CD2 4.03Å; P570-W578 HydrophobicContact CB-CG 3.75Å; P570-W578 HydrophobicContact CG-CD2 3.85Å; P570-W578 HydrophobicContact CG-CE3 4Å; P570-W578 HydrophobicContact CG-CG 4.11Å
571K84.1Confident79.7Confident76 Ų7685.1 Ų85.133%0.3342%0.424SS..BIsolated β-bridgetrans-62.1143.1174.3-69.1-173.2168.7178.90110E550 A569 K573 D574 L575E550-K571 WeakPolarHBondContact O-CG 3.46Å; E550-K571 WeakPolarHBondContact OE1-CD 3.49Å; E550-K571 IonicContact OE1-NZ 3.72Å; E550-K571 PolarHBondContact OE1-NZ 3Å; E550-K571 IonicContact OE2-NZ 3.66Å; E550-K571 PolarHBondContact OE2-NZ 3.04Å; A569-K571 PolarHBondContact O-N 3.33Å; K571-K573 HydrophobicContact CB-CG 4.21Å; K571-K573 PolarHBondContact O-N 3.14Å; K571-D574 PolarHBondContact O-N 2.77Å; K571-L575 PolarHBondContact O-N 2.93Å
572R80.1Confident79.9Confident124 Ų12486.6 Ų86.647%0.46842%0.419SS..THydrogen-bonded Turntrans-55.2-26.8-175.5-166.5166.6-61.4109.716.1114.4D548 S551 V553D548-R572 PolarHBondContact O-NH1 2.97Å; S551-R572 VanDerWaalsContact CB-NH1 3.3Å; S551-R572 WeakPolarHBondContact O-CB 3.49Å; S551-R572 PolarHBondContact O-N 3.06Å; S551-R572 PolarHBondContact OG-NH1 3.43Å; S551-R572 PolarHBondContact OG-NH2 2.74Å; V553-R572 HydrophobicContact CG2-CB 3.74Å; V553-R572 HydrophobicContact CG2-CG 3.9Å
573K79.6Confident80Confident119 Ų11988.9 Ų88.952%0.51744%0.435SS..THydrogen-bonded Turntrans-74.8-23.9176.273.1-165.4-174.5-176.80114.5E550 K571E550-K573 IonicContact OE1-NZ 3.33Å; E550-K573 PolarHBondContact OE1-NZ 3.14Å; K571-K573 HydrophobicContact CB-CG 4.21Å; K571-K573 PolarHBondContact O-N 3.14Å
574D81.4Confident79.6Confident67 Ų6783.4 Ų83.436%0.35842%0.418SS..THydrogen-bonded Turntrans-109.8-14.5-174.1-56.3-58.1000112.6K571 E576 K577 W578K571-D574 PolarHBondContact O-N 2.77Å; D574-E576 VanDerWaalsContact C-N 3.35Å; D574-E576 PolarHBondContact O-N 3.45Å; D574-K577 WeakPolarHBondContact O-CB 3.45Å; D574-K577 PolarHBondContact O-N 3.13Å; D574-W578 PolarHBondContact O-N 3.15Å
575L81.9Confident79.6Confident13 Ų1383.8 Ų83.87%0.06842%0.417CS..Hα-helixtrans-46.1-46.3-176.5179.165.1000114.9V553 V555 P570 K571 K577 W578 L579 E587V553-L575 HydrophobicContact CB-CD1 4.28Å; V553-L575 HydrophobicContact CB-CD2 3.97Å; V553-L575 HydrophobicContact CG1-CD1 4.27Å; V553-L575 HydrophobicContact CG1-CD2 3.76Å; V553-L575 HydrophobicContact CG2-CD2 4.06Å; V555-L575 HydrophobicContact CG2-CD1 3.62Å; P570-L575 HydrophobicContact CB-CD1 4.35Å; P570-L575 HydrophobicContact CG-CD1 3.76Å; K571-L575 PolarHBondContact O-N 2.93Å; L575-K577 VanDerWaalsContact C-N 3.32Å; L575-K577 PolarHBondContact O-N 3.1Å; L575-W578 PolarHBondContact O-N 3.41Å; L575-L579 HydrophobicContact CD1-CD1 3.82Å; L575-L579 HydrophobicContact CD1-CG 3.99Å; L575-L579 HydrophobicContact CG-CD1 3.88Å; L575-L579 HydrophobicContact CG-CG 4.42Å; L575-L579 WeakPolarHBondContact O-CB 3.46Å; L575-L579 WeakPolarHBondContact O-CG 3.46Å; L575-L579 PolarHBondContact O-N 2.85Å; L575-E587 HydrophobicContact CD1-CG 4.37Å; L575-E587 HydrophobicContact CD2-CG 4.15Å; L575-E587 WeakPolarHBondContact CD2-OE1 3.4Å
576E79.1Confident79.6Confident173 Ų17385.2 Ų85.281%0.80842%0.422SS*.Hα-helixtrans-68.3-30.8-177.2-170.6176.5-173.600112.7D574 K580D574-E576 VanDerWaalsContact C-N 3.35Å; D574-E576 PolarHBondContact O-N 3.45Å; E576-K580 WeakPolarHBondContact O-CB 3.43Å
577K83.8Confident79.7Confident140 Ų14087.3 Ų87.361%0.60942%0.424SS*.Hα-helixtrans-72.8-48.5171.4-61.1-179.6-179.7177.70110.3D574 L575 L579 K580 E581D574-K577 WeakPolarHBondContact O-CB 3.45Å; D574-K577 PolarHBondContact O-N 3.13Å; L575-K577 VanDerWaalsContact C-N 3.32Å; L575-K577 PolarHBondContact O-N 3.1Å; K577-L579 PolarHBondContact O-N 3Å; K577-K580 WeakPolarHBondContact O-CA 3.29Å; K577-K580 WeakPolarHBondContact O-CB 3.48Å; K577-K580 PolarHBondContact O-N 2.72Å; K577-E581 PolarHBondContact O-N 3.35Å
578W86.4Confident79.8Confident51 Ų5181.3 Ų81.319%0.19339%0.392CS..Hα-helixtrans-58.1-44.2-178.8-168.794000112.4V555 L564 P570 D574 L575 K580 E581 H582 Y585V555-W578 HydrophobicContact CB-CZ3 4.39Å; V555-W578 HydrophobicContact CG1-CE3 4.2Å; V555-W578 HydrophobicContact CG1-CH2 4.03Å; V555-W578 HydrophobicContact CG1-CZ3 3.43Å; V555-W578 VanDerWaalsContact CG1-CZ3 3.43Å; L564-W578 HydrophobicContact CD1-CH2 3.71Å; L564-W578 HydrophobicContact CD1-CZ2 3.51Å; P570-W578 HydrophobicContact CB-CB 4.02Å; P570-W578 HydrophobicContact CB-CD2 4.03Å; P570-W578 HydrophobicContact CB-CG 3.75Å; P570-W578 HydrophobicContact CG-CD2 3.85Å; P570-W578 HydrophobicContact CG-CE3 4Å; P570-W578 HydrophobicContact CG-CG 4.11Å; D574-W578 PolarHBondContact O-N 3.15Å; L575-W578 PolarHBondContact O-N 3.41Å; W578-K580 VanDerWaalsContact C-N 3.28Å; W578-K580 PolarHBondContact O-N 2.99Å; W578-E581 PolarHBondContact O-N 3.44Å; W578-H582 AromaticContact CD1-CD2 3.92Å; W578-H582 AromaticContact CD2-CD2 3.57Å; W578-H582 AromaticContact CE2-CD2 3.27Å; W578-H582 AromaticContact CE2-NE2 3.81Å; W578-H582 HydrophobicContact CE3-CB 4.13Å; W578-H582 AromaticContact CG-CD2 3.99Å; W578-H582 HydrophobicContact CH2-CB 3.96Å; W578-H582 AromaticContact CH2-CD2 3.97Å; W578-H582 HydrophobicContact CZ2-CB 4.39Å; W578-H582 AromaticContact CZ2-CD2 3.51Å; W578-H582 AromaticContact CZ2-CG 3.98Å; W578-H582 HydrophobicContact CZ3-CB 3.8Å; W578-H582 AromaticContact NE1-CD2 3.52Å; W578-H582 AromaticContact NE1-NE2 3.69Å; W578-H582 WeakPolarHBondContact O-CB 3.47Å; W578-H582 PolarHBondContact O-CD2 2.89Å; W578-H582 PolarHBondContact O-N 3.2Å; W578-Y585 AromaticContact CH2-CD1 3.69Å; W578-Y585 HydrophobicContact CH2-CD1 3.69Å; W578-Y585 AromaticContact CH2-CD2 3.99Å; W578-Y585 HydrophobicContact CH2-CD2 3.99Å; W578-Y585 HydrophobicContact CH2-CE1 4.02Å; W578-Y585 HydrophobicContact CH2-CE2 4.31Å; W578-Y585 AromaticContact CH2-CG 3.66Å; W578-Y585 HydrophobicContact CH2-CG 3.66Å; W578-Y585 HydrophobicContact CZ3-CD1 4.12Å; W578-Y585 HydrophobicContact CZ3-CD2 4.37Å; W578-Y585 AromaticContact CZ3-CG 3.83Å; W578-Y585 HydrophobicContact CZ3-CG 3.83Å
579L84.6Confident79.5Confident37 Ų3782.6 Ų82.619%0.19440%0.398CS..Hα-helixtrans-65.6-29.6176.2-71.7169.7000113V555 L575 K577 H582 E587V555-L579 HydrophobicContact CG1-CD2 3.89Å; V555-L579 HydrophobicContact CG2-CD2 4.48Å; L575-L579 HydrophobicContact CD1-CD1 3.82Å; L575-L579 HydrophobicContact CD1-CG 3.99Å; L575-L579 HydrophobicContact CG-CD1 3.88Å; L575-L579 HydrophobicContact CG-CG 4.42Å; L575-L579 WeakPolarHBondContact O-CB 3.46Å; L575-L579 WeakPolarHBondContact O-CG 3.46Å; L575-L579 PolarHBondContact O-N 2.85Å; K577-L579 PolarHBondContact O-N 3Å; L579-H582 CarbonylContact O-C 3.52Å; L579-H582 VanDerWaalsContact O-C 3.29Å; L579-E587 HydrophobicContact CD1-CG 3.94Å
580K80.2Confident77.8Confident181 Ų18185.6 Ų85.679%0.78743%0.43SS*.Hα-helixtrans-75.6-32.4177.3-168177.6-177.9-179.80112.1E576 K577 W578E576-K580 WeakPolarHBondContact O-CB 3.43Å; K577-K580 WeakPolarHBondContact O-CA 3.29Å; K577-K580 WeakPolarHBondContact O-CB 3.48Å; K577-K580 PolarHBondContact O-N 2.72Å; W578-K580 VanDerWaalsContact C-N 3.28Å; W578-K580 PolarHBondContact O-N 2.99Å
581E82.4Confident75.6Confident138 Ų13886.8 Ų86.865%0.64544%0.441SS*.Hα-helixtrans-77.8-29.3171.9-71.4159.2-156.200112K577 W578 P583K577-E581 PolarHBondContact O-N 3.35Å; W578-E581 PolarHBondContact O-N 3.44Å; E581-P583 WeakPolarHBondContact O-CD 3.38Å
582H76.4Confident73.3Confident78 Ų7893 Ų9336%0.36147%0.468SS..  trans-115.664.7179.5-64.6-69.1000113.6W578 L579 G584 Y585W578-H582 AromaticContact CD1-CD2 3.92Å; W578-H582 AromaticContact CD2-CD2 3.57Å; W578-H582 AromaticContact CE2-CD2 3.27Å; W578-H582 AromaticContact CE2-NE2 3.81Å; W578-H582 HydrophobicContact CE3-CB 4.13Å; W578-H582 AromaticContact CG-CD2 3.99Å; W578-H582 HydrophobicContact CH2-CB 3.96Å; W578-H582 AromaticContact CH2-CD2 3.97Å; W578-H582 HydrophobicContact CZ2-CB 4.39Å; W578-H582 AromaticContact CZ2-CD2 3.51Å; W578-H582 AromaticContact CZ2-CG 3.98Å; W578-H582 HydrophobicContact CZ3-CB 3.8Å; W578-H582 AromaticContact NE1-CD2 3.52Å; W578-H582 AromaticContact NE1-NE2 3.69Å; W578-H582 WeakPolarHBondContact O-CB 3.47Å; W578-H582 PolarHBondContact O-CD2 2.89Å; W578-H582 PolarHBondContact O-N 3.2Å; L579-H582 CarbonylContact O-C 3.52Å; L579-H582 VanDerWaalsContact O-C 3.29Å; H582-G584 PolarHBondContact O-N 2.76Å; H582-Y585 HydrophobicContact CB-CD2 3.92Å; H582-Y585 PolarHBondContact O-N 3.09Å
583P77.9Confident70.9Confident112 Ų11293.4 Ų93.473%0.72748%0.478SS*.THydrogen-bonded Turntrans-68.48.6-175.530.9-38.7000115.5E581E581-P583 WeakPolarHBondContact O-CD 3.38Å
584G72.2Confident68.5Low13 Ų1392.1 Ų92.113%0.13448%0.482CS..THydrogen-bonded Turntrans-90-10.4165.500000113.8N557 L558 H582N557-G584 PolarHBondContact OD1-O 3.27Å; L558-G584 PolarHBondContact N-O 2.92Å; H582-G584 PolarHBondContact O-N 2.76Å
585Y78.6Confident66Low50 Ų5097.3 Ų97.320%0.19650%0.496CS..EExtended strand (participates in β ladder)trans-111.8151.6-173-74.6-104.3000112.4V555 I556 N557 T562 L564 W578 H582V555-Y585 HydrophobicContact CG1-CD1 3.87Å; V555-Y585 HydrophobicContact CG1-CG 4.22Å; I556-Y585 VanDerWaalsContact C-CD1 3.46Å; I556-Y585 CarbonylContact O-C 3.36Å; I556-Y585 VanDerWaalsContact O-CA 3.25Å; I556-Y585 WeakPolarHBondContact O-CA 3.24Å; N557-Y585 HydrophobicContact CB-CD1 3.77Å; N557-Y585 HydrophobicContact CB-CD2 4.21Å; N557-Y585 HydrophobicContact CB-CE1 3.54Å; N557-Y585 HydrophobicContact CB-CE2 3.99Å; N557-Y585 HydrophobicContact CB-CG 4.12Å; N557-Y585 VanDerWaalsContact N-CD1 3.27Å; T562-Y585 PolarHBondContact OG1-OH 2.84Å; L564-Y585 HydrophobicContact CD1-CE1 4.11Å; L564-Y585 HydrophobicContact CG-CE1 4.29Å; W578-Y585 AromaticContact CH2-CD1 3.69Å; W578-Y585 HydrophobicContact CH2-CD1 3.69Å; W578-Y585 AromaticContact CH2-CD2 3.99Å; W578-Y585 HydrophobicContact CH2-CD2 3.99Å; W578-Y585 HydrophobicContact CH2-CE1 4.02Å; W578-Y585 HydrophobicContact CH2-CE2 4.31Å; W578-Y585 AromaticContact CH2-CG 3.66Å; W578-Y585 HydrophobicContact CH2-CG 3.66Å; W578-Y585 HydrophobicContact CZ3-CD1 4.12Å; W578-Y585 HydrophobicContact CZ3-CD2 4.37Å; W578-Y585 AromaticContact CZ3-CG 3.83Å; W578-Y585 HydrophobicContact CZ3-CG 3.83Å; H582-Y585 HydrophobicContact CB-CD2 3.92Å; H582-Y585 PolarHBondContact O-N 3.09Å
586V80.8Confident63.5Low71 Ų71103.4 Ų103.443%0.4353%0.526SS..EExtended strand (participates in β ladder)trans-141.1151.1177.7177.40000109.9I556 L558 D588I556-V586 WeakPolarHBondContact CG2-O 3.4Å; I556-V586 PolarHBondContact N-O 3.29Å; I556-V586 PolarHBondContact O-N 3.39Å; L558-V586 HydrophobicContact CD1-CG2 3.67Å; L558-V586 HydrophobicContact CG-CG2 4.16Å; V586-D588 PolarHBondContact O-N 3.45Å
587E79Confident61.2Low71 Ų71100.9 Ų100.933%0.33251%0.514SS..EExtended strand (participates in β ladder)trans-55.4128173.4-61.2179.6-155.100112.1L575 L579 L589L575-E587 HydrophobicContact CD1-CG 4.37Å; L575-E587 HydrophobicContact CD2-CG 4.15Å; L575-E587 WeakPolarHBondContact CD2-OE1 3.4Å; L579-E587 HydrophobicContact CD1-CG 3.94Å; E587-L589 VanDerWaalsContact C-N 3.26Å; E587-L589 HydrophobicContact CB-CD2 4.36Å; E587-L589 HydrophobicContact CB-CG 4.06Å; E587-L589 PolarHBondContact O-N 3.1Å
588D75.8Confident58.5Low41 Ų41101.7 Ų101.722%0.21953%0.525CS..  trans-82.273.4176.8-170.7-3.3000111.3P554 I556 R563 V586 G590 A591P554-D588 PolarHBondContact O-N 2.79Å; I556-D588 HydrophobicContact CB-CB 4.46Å; I556-D588 HydrophobicContact CG2-CB 4.01Å; R563-D588 IonicContact CZ-OD2 2.71Å; R563-D588 IonicContact NH1-OD2 3.39Å; R563-D588 PolarHBondContact NH1-OD2 3.04Å; R563-D588 IonicContact NH2-OD2 3.23Å; R563-D588 PolarHBondContact NH2-OD2 3.2Å; V586-D588 PolarHBondContact O-N 3.45Å; D588-G590 PolarHBondContact O-N 2.92Å; D588-G590 VanDerWaalsContact O-N 3.16Å; D588-G590 PolarHBondContact OD1-N 3.37Å; D588-G590 VanDerWaalsContact OD1-N 3.16Å; D588-A591 PolarHBondContact OD1-N 3.41Å; D588-A591 VanDerWaalsContact OD1-N 3.14Å
589L64.9Low55.8Low158 Ų158107.6 Ų107.683%0.82755%0.554SS**  trans-72.14.9175.4-60.3173.5000113.2E587E587-L589 VanDerWaalsContact C-N 3.26Å; E587-L589 HydrophobicContact CB-CD2 4.36Å; E587-L589 HydrophobicContact CB-CG 4.06Å; E587-L589 PolarHBondContact O-N 3.1Å
590G46.3Very low53.2Low71 Ų71115.5 Ų115.573%0.73259%0.59SS**SBendtrans-133.3-9.1-153.200000118.5D588D588-G590 PolarHBondContact O-N 2.92Å; D588-G590 VanDerWaalsContact O-N 3.16Å; D588-G590 PolarHBondContact OD1-N 3.37Å; D588-G590 VanDerWaalsContact OD1-N 3.16Å
591A31.9Very low51.3Low38 Ų38110 Ų11031%0.31459%0.585SS.*  trans-125.975.4-178.300000113.7D588 I593D588-A591 PolarHBondContact OD1-N 3.41Å; D588-A591 VanDerWaalsContact OD1-N 3.14Å; A591-I593 PolarHBondContact O-N 3Å
592F36.1Very low48.7Very low206 Ų206113 Ų11390%0.90459%0.59SS**  trans-72.960.4175.9-151.9-87.4000112.8P594F592-P594 VanDerWaalsContact O-CD 3.32Å; F592-P594 WeakPolarHBondContact O-CD 3.44Å
593I30.4Very low46.8Very low134 Ų134114.6 Ų114.669%0.68761%0.607SS**  trans-69.6119.7166.2-59.7174.8000106.9A591 R595A591-I593 PolarHBondContact O-N 3Å; I593-R595 PolarHBondContact O-N 3.22Å
594P27.8Very low44.6Very low91 Ų91119.3 Ų119.359%0.59162%0.616SS**  trans-68.297.8177.7-19.333.6000110.2F592 M596F592-P594 VanDerWaalsContact O-CD 3.32Å; F592-P594 WeakPolarHBondContact O-CD 3.44Å; P594-M596 PolarHBondContact O-N 3.33Å; P594-M596 VanDerWaalsContact O-N 3.09Å
595R28.9Very low43.1Very low177 Ų177126 Ų12667%0.66864%0.644SS**  trans-56.1116.9168-168.7176.4-175.8160.1-0.4106.7A565 I593 Q597A565-R595 PolarHBondContact O-NH1 3.17Å; A565-R595 VanDerWaalsContact O-NH1 3.12Å; I593-R595 PolarHBondContact O-N 3.22Å; R595-Q597 PolarHBondContact O-N 2.99Å
596M30.3Very low41.1Very low141 Ų141132.9 Ų132.970%0.69568%0.675SS**  trans-7963.9-169.9-76.1-9865.600112.1P594 L598P594-M596 PolarHBondContact O-N 3.33Å; P594-M596 VanDerWaalsContact O-N 3.09Å; M596-L598 PolarHBondContact O-N 3.14Å; M596-L598 VanDerWaalsContact O-N 3.12Å
597Q30.1Very low39.3Very low119 Ų119139.3 Ų139.356%0.55669%0.691SS**  trans-54.4114.4148.4-99.371.63.200106.9R595 H599R595-Q597 PolarHBondContact O-N 2.99Å; Q597-H599 PolarHBondContact O-N 2.99Å
598L28.3Very low38.1Very low158 Ų158142.8 Ų142.883%0.82771%0.707SS**  trans-78.960.4-170.5-165.998.3000111.9M596 E600M596-L598 PolarHBondContact O-N 3.14Å; M596-L598 VanDerWaalsContact O-N 3.12Å; L598-E600 PolarHBondContact O-N 3.16Å
599H28.9Very low37.4Very low174 Ų174151.5 Ų151.581%0.80674%0.737SS**  trans-60.2121.6170.2-89.4-73.9000110.2Q597 G601Q597-H599 PolarHBondContact O-N 2.99Å; H599-G601 VanDerWaalsContact C-N 3.25Å; H599-G601 PolarHBondContact O-N 3.04Å
600E29.6Very low37.6Very low203 Ų203144.7 Ų144.795%0.94970%0.703SS**SBendtrans-7471.9-174-164.8178.3-160.900111.7L598L598-E600 PolarHBondContact O-N 3.16Å
601G41.4Very low38.9Very low66 Ų66149 Ų14968%0.6870%0.697SS**  trans-149.87.1-166.500000117.5H599H599-G601 VanDerWaalsContact C-N 3.25Å; H599-G601 PolarHBondContact O-N 3.04Å
602R27.4Very low41Very low202 Ų202151.7 Ų151.776%0.76271%0.706SS**  trans-72.3133.6-178.1-154.4173-165.3171.76.2111.5
603P36Very low42.9Very low110 Ų110142.5 Ų142.571%0.71467%0.667SS**  trans-57.1142.9170.724.1-34.2000110.1Q605P603-Q605 VanDerWaalsContact C-N 3.26Å; P603-Q605 PolarHBondContact O-N 2.84Å
604K30.8Very low45.1Very low212 Ų212143.2 Ų143.292%0.92267%0.673SS**  trans-69.679.5-174.1-73.1-176.9178.2175.60111.9K606K604-K606 PolarHBondContact O-N 3.26Å; K604-K606 VanDerWaalsContact O-N 3.15Å
605Q41.1Very low47.5Very low154 Ų154146.2 Ų146.272%0.7268%0.676SS**  trans-52.6120.5168.5-156.617414.100107.9P603 R607P603-Q605 VanDerWaalsContact C-N 3.26Å; P603-Q605 PolarHBondContact O-N 2.84Å; Q605-R607 PolarHBondContact O-N 2.83Å
606K37.2Very low49.8Very low193 Ų193139.6 Ų139.684%0.83965%0.654SS**  trans-63.695.7-167.7178.1-175.2173.7-172.60109.9K604 H608K604-K606 PolarHBondContact O-N 3.26Å; K604-K606 VanDerWaalsContact O-N 3.15Å; K606-H608 PolarHBondContact O-N 3.2Å
607R42.7Very low51.9Low206 Ų206137.5 Ų137.578%0.77765%0.645SS**  trans-42125.4-177.2-58.8-178.391.8-174.98.5109.9Q605 R609Q605-R607 PolarHBondContact O-N 2.83Å; R607-R609 VanDerWaalsContact C-N 3.25Å; R607-R609 PolarHBondContact O-N 3.12Å
608H53.8Low54.1Low144 Ų144133.4 Ų133.467%0.66763%0.628SS**  trans-65.288.1175.7-80.2-116.7000109.3K606 G640 A641K606-H608 PolarHBondContact O-N 3.2Å; H608-G640 CarbonylContact O-C 3.37Å; H608-G640 VanDerWaalsContact O-CA 3.31Å; H608-G640 WeakPolarHBondContact O-CA 3.32Å; H608-A641 PolarHBondContact O-N 3.09Å
609R60.4Low56.2Low224 Ų224133.2 Ų133.285%0.84563%0.628SS**  trans-76.3131.7173.6-174.4176.6-178159.52.6107.8R607 R611R607-R609 VanDerWaalsContact C-N 3.25Å; R607-R609 PolarHBondContact O-N 3.12Å; R609-R611 PolarHBondContact O-N 3.06Å
610C70.3Confident58.5Low16 Ų16128.8 Ų128.811%0.10862%0.617CS.*  trans-44.7130.8169.3-690000109.7R626 G640 W665C610-R626 PolarHBondContact SG-O 3.27Å; C610-G640 PolarHBondContact SG-N 3.38Å; C610-W665 HydrophobicContact CB-CZ2 4.11Å
611R73.5Confident60.8Low160 Ų160120.2 Ų120.260%0.60458%0.578SS**  trans-68.8154.1176.3-164.161.6172.8166.9-2.6108.7R609 P613 L616 W665R609-R611 PolarHBondContact O-N 3.06Å; R611-P613 WeakPolarHBondContact O-CD 3.41Å; R611-L616 HydrophobicContact CB-CD2 3.94Å; R611-L616 HydrophobicContact CB-CG 4.34Å; R611-L616 HydrophobicContact CG-CD2 3.68Å; R611-L616 HydrophobicContact CG-CG 4.2Å; R611-W665 WeakPolarHBondContact O-CZ2 3.47Å
612N76.1Confident62.3Low96 Ų96121.5 Ų121.551%0.51357%0.572SS.*  trans-65.3121.9170.2-65.639.2000107.8N614 K615N612-N614 VanDerWaalsContact C-N 3.31Å; N612-N614 PolarHBondContact O-N 3.33Å; N612-K615 HydrophobicContact CB-CB 4.32Å; N612-K615 HydrophobicContact CB-CG 4.24Å; N612-K615 PolarHBondContact O-N 2.99Å
613P76Confident64.6Low12 Ų12111.9 Ų111.98%0.07854%0.536CS..G310 helixtrans-60.6-39.6-176.819.1-29.6000112R611 K615 L616 E664 W665 V668R611-P613 WeakPolarHBondContact O-CD 3.41Å; P613-K615 PolarHBondContact O-N 2.96Å; P613-L616 PolarHBondContact O-N 3.45Å; P613-E664 WeakPolarHBondContact CB-O 3.44Å; P613-E664 HydrophobicContact CG-CB 4.15Å; P613-E664 HydrophobicContact CG-CG 4.48Å; P613-E664 WeakPolarHBondContact CG-O 3.49Å; P613-W665 HydrophobicContact CB-CD2 3.92Å; P613-W665 HydrophobicContact CB-CE3 4.24Å; P613-W665 HydrophobicContact CB-CG 4.2Å; P613-W665 HydrophobicContact CG-CD2 4.26Å; P613-W665 HydrophobicContact CG-CG 4.25Å; P613-V668 HydrophobicContact CB-CG2 3.79Å
614N76.3Confident66.8Low150 Ų150112.5 Ų112.580%0.80253%0.529SS*.G310 helixtrans-63.39.1172.1-4151000114.7N612N612-N614 VanDerWaalsContact C-N 3.31Å; N612-N614 PolarHBondContact O-N 3.33Å
615K77.4Confident69.4Low154 Ų154104 Ų10467%0.6749%0.493SS*.G310 helixtrans-136.420.2175.7-59.2-166.3176.9-1670112.2N612 P613N612-K615 HydrophobicContact CB-CB 4.32Å; N612-K615 HydrophobicContact CB-CG 4.24Å; N612-K615 PolarHBondContact O-N 2.99Å; P613-K615 PolarHBondContact O-N 2.96Å
616L78.2Confident71.6Confident37 Ų37101 Ų10119%0.19448%0.475CS..  trans-100.4132.1165.7-66.3174000108R611 P613 L621 E625 W665 V668R611-L616 HydrophobicContact CB-CD2 3.94Å; R611-L616 HydrophobicContact CB-CG 4.34Å; R611-L616 HydrophobicContact CG-CD2 3.68Å; R611-L616 HydrophobicContact CG-CG 4.2Å; P613-L616 PolarHBondContact O-N 3.45Å; L616-L621 HydrophobicContact CB-CD2 4.1Å; L616-L621 HydrophobicContact CD1-CD2 4.05Å; L616-L621 HydrophobicContact CD2-CD2 4.38Å; L616-L621 HydrophobicContact CG-CD2 4.41Å; L616-E625 HydrophobicContact CD1-CB 4.49Å; L616-E625 HydrophobicContact CD1-CG 4.42Å; L616-E625 HydrophobicContact CD2-CG 4.14Å; L616-W665 HydrophobicContact CD1-CE3 4.46Å; L616-W665 HydrophobicContact CD1-CH2 3.66Å; L616-W665 HydrophobicContact CD1-CZ3 3.5Å; L616-V668 HydrophobicContact CB-CG1 4.45Å; L616-V668 HydrophobicContact CD1-CG1 4.12Å
617D74.3Confident74Confident97 Ų9791.8 Ų91.852%0.51944%0.435SS..  trans-86.8123.3165.6179.5-5.5000107.1N619 S620 L621D617-N619 PolarHBondContact O-N 3.16Å; D617-N619 PolarHBondContact OD1-N 2.74Å; D617-N619 PolarHBondContact OD1-ND2 2.91Å; D617-S620 PolarHBondContact O-N 3.16Å; D617-L621 PolarHBondContact O-N 3.33Å
618V77.3Confident76.3Confident33 Ų3384.2 Ų84.220%0.241%0.409CS..G310 helixtrans-57.4-38.6-177.61770000110.9S620 L621 Q671V618-S620 PolarHBondContact O-N 3.28Å; V618-S620 VanDerWaalsContact O-N 3.15Å; V618-L621 HydrophobicContact CB-CD1 4.49Å; V618-L621 HydrophobicContact CG1-CD1 4.33Å; V618-L621 WeakPolarHBondContact O-CG 3.33Å; V618-L621 PolarHBondContact O-N 3.18Å; V618-Q671 HydrophobicContact CB-CB 4.43Å; V618-Q671 HydrophobicContact CG1-CB 3.68Å; V618-Q671 VanDerWaalsContact CG1-O 3.26Å; V618-Q671 WeakPolarHBondContact CG1-O 3.25Å; V618-Q671 HydrophobicContact CG2-CB 3.94Å
619N72.6Confident78Confident155 Ų15577.4 Ų77.483%0.82938%0.377SS*.G310 helixtrans-74.5-2.5-178.6-53.1-64.7000113.3D617D617-N619 PolarHBondContact O-N 3.16Å; D617-N619 PolarHBondContact OD1-N 2.74Å; D617-N619 PolarHBondContact OD1-ND2 2.91Å
620S76.6Confident79.4Confident81 Ų8167 Ų6757%0.56634%0.338SS*.G310 helixtrans-118.310.2179.4-175.60000112.6D617 V618 T622D617-S620 PolarHBondContact O-N 3.16Å; V618-S620 PolarHBondContact O-N 3.28Å; V618-S620 VanDerWaalsContact O-N 3.15Å; S620-T622 PolarHBondContact O-N 3.3Å
621L76.9Confident80.2Confident23 Ų2366.4 Ų66.412%0.1233%0.334CS..  trans-72.7122.5178.3-67.3172000110.8L616 D617 V618 E625 L646 V668 F674L616-L621 HydrophobicContact CB-CD2 4.1Å; L616-L621 HydrophobicContact CD1-CD2 4.05Å; L616-L621 HydrophobicContact CD2-CD2 4.38Å; L616-L621 HydrophobicContact CG-CD2 4.41Å; D617-L621 PolarHBondContact O-N 3.33Å; V618-L621 HydrophobicContact CB-CD1 4.49Å; V618-L621 HydrophobicContact CG1-CD1 4.33Å; V618-L621 WeakPolarHBondContact O-CG 3.33Å; V618-L621 PolarHBondContact O-N 3.18Å; L621-E625 HydrophobicContact CD2-CB 4.42Å; L621-E625 HydrophobicContact CD2-CG 3.77Å; L621-L646 HydrophobicContact CB-CD2 4.26Å; L621-L646 HydrophobicContact CD1-CD2 3.97Å; L621-L646 HydrophobicContact CD2-CD2 4.33Å; L621-L646 HydrophobicContact CG-CD2 4.42Å; L621-V668 HydrophobicContact CD1-CG1 3.85Å; L621-V668 HydrophobicContact CD2-CG1 4.32Å; L621-F674 HydrophobicContact CB-CE2 4.48Å
622T73.1Confident80.6Confident93 Ų9365.1 Ų65.157%0.57133%0.329SS*.  trans-87-9.4179.658.10000113.3S620 E624 E625S620-T622 PolarHBondContact O-N 3.3Å; T622-E624 PolarHBondContact O-N 2.86Å; T622-E624 PolarHBondContact OG1-N 2.9Å; T622-E625 PolarHBondContact N-OE1 2.75Å; T622-E625 PolarHBondContact N-OE2 3.12Å; T622-E625 VanDerWaalsContact N-OE2 3.11Å; T622-E625 PolarHBondContact OG1-OE1 2.88Å; T622-E625 PolarHBondContact OG1-OE2 3.45Å
623G76.2Confident80.6Confident0 Ų067.7 Ų67.70%033%0.331CS..SBendtrans81.7-7.3-169.900000112.8E625 L646 K647G623-E625 WeakPolarHBondContact CA-OE2 3.48Å; G623-E625 PolarHBondContact N-OE2 2.88Å; G623-L646 PolarHBondContact O-N 3.14Å; G623-L646 VanDerWaalsContact O-N 3.11Å; G623-K647 WeakPolarHBondContact O-CB 3.46Å; G623-K647 VanDerWaalsContact O-CG 3.29Å; G623-K647 WeakPolarHBondContact O-CG 3.17Å; G623-K647 PolarHBondContact O-N 3.2Å
624E81.8Confident80.8Confident122 Ų12270.3 Ų70.357%0.5735%0.345SS*.  trans-89.6-8178.4-52-136.7123.200113T622 R626 K647T622-E624 PolarHBondContact O-N 2.86Å; T622-E624 PolarHBondContact OG1-N 2.9Å; E624-R626 PolarHBondContact O-N 3.4Å; E624-K647 IonicContact OE1-NZ 3.75Å; E624-K647 PolarHBondContact OE1-NZ 3.44Å
625E86.3Confident81Confident35 Ų3565.2 Ų65.216%0.16432%0.323CS..SBendtrans-63.4118.5179.2-62.874.3-158.800110.4L616 L621 T622 G623 V627 L646L616-E625 HydrophobicContact CD1-CB 4.49Å; L616-E625 HydrophobicContact CD1-CG 4.42Å; L616-E625 HydrophobicContact CD2-CG 4.14Å; L621-E625 HydrophobicContact CD2-CB 4.42Å; L621-E625 HydrophobicContact CD2-CG 3.77Å; T622-E625 PolarHBondContact N-OE1 2.75Å; T622-E625 PolarHBondContact N-OE2 3.12Å; T622-E625 VanDerWaalsContact N-OE2 3.11Å; T622-E625 PolarHBondContact OG1-OE1 2.88Å; T622-E625 PolarHBondContact OG1-OE2 3.45Å; G623-E625 WeakPolarHBondContact CA-OE2 3.48Å; G623-E625 PolarHBondContact N-OE2 2.88Å; E625-V627 PolarHBondContact O-N 2.98Å; E625-L646 WeakPolarHBondContact O-CB 3.31Å; E625-L646 PolarHBondContact O-N 2.76Å
626R87.4Confident81.2Confident89 Ų8966.7 Ų66.734%0.33633%0.325SS..BIsolated β-bridgetrans-75.8116-177.5-68.3-177.3178.5-97.81.7111.7C610 E624 G640 A641 A643 P644 W665C610-R626 PolarHBondContact SG-O 3.27Å; E624-R626 PolarHBondContact O-N 3.4Å; R626-G640 WeakPolarHBondContact CD-O 3.39Å; R626-A641 PolarHBondContact NH1-O 2.86Å; R626-A643 HydrophobicContact CB-CB 3.92Å; R626-A643 WeakPolarHBondContact CD-O 3.43Å; R626-A643 WeakPolarHBondContact CG-O 3.45Å; R626-A643 PolarHBondContact NH1-O 3.02Å; R626-P644 WeakPolarHBondContact CA-O 3.27Å; R626-W665 WeakPolarHBondContact O-CH2 3.49Å; R626-W665 WeakPolarHBondContact O-CZ2 3.39Å
627V87.9Confident81.7Confident0 Ų069.9 Ų69.90%034%0.337CS..  trans-87.7130.4-172.6-179.90000110.9E625 L629 A643 P644 L646 L649 V661 W665 V669E625-V627 PolarHBondContact O-N 2.98Å; V627-L629 HydrophobicContact CG1-CD2 4.32Å; V627-A643 WeakPolarHBondContact O-CB 3.48Å; V627-P644 PolarHBondContact N-O 3.49Å; V627-L646 HydrophobicContact CG2-CB 3.86Å; V627-L646 HydrophobicContact CG2-CD1 3.75Å; V627-L646 HydrophobicContact CG2-CG 4.39Å; V627-L649 HydrophobicContact CB-CD1 4.29Å; V627-L649 HydrophobicContact CG1-CD1 4.23Å; V627-L649 HydrophobicContact CG1-CD2 4.23Å; V627-L649 HydrophobicContact CG2-CD2 4.3Å; V627-V661 HydrophobicContact CG1-CG1 3.98Å; V627-W665 HydrophobicContact CB-CE3 4.24Å; V627-W665 HydrophobicContact CG1-CB 4.08Å; V627-W665 HydrophobicContact CG1-CD2 4.05Å; V627-W665 HydrophobicContact CG1-CE3 4.02Å; V627-W665 HydrophobicContact CG1-CG 4.09Å; V627-W665 HydrophobicContact CG2-CE3 3.99Å; V627-W665 HydrophobicContact CG2-CZ3 4.06Å; V627-V669 HydrophobicContact CG1-CG2 3.94Å; V627-V669 HydrophobicContact CG2-CG2 4.35Å
628Q89.3Confident82.1Confident48 Ų4867 Ų6722%0.22432%0.322CS..  trans-77.9127.1-179.6-167164.8-5.400111.2V638 A662 W665Q628-V638 WeakPolarHBondContact CG-O 3.15Å; Q628-A662 HydrophobicContact CB-CB 4.5Å; Q628-A662 VanDerWaalsContact O-CB 3.3Å; Q628-A662 WeakPolarHBondContact O-CB 3.29Å; Q628-A662 PolarHBondContact O-N 3.31Å; Q628-A662 VanDerWaalsContact O-N 3.1Å; Q628-W665 VanDerWaalsContact CB-NE1 3.3Å
629L90.8Very high82.3Confident0 Ų066.8 Ų66.80%033%0.328CS..EExtended strand (participates in β ladder)trans-110161.7-179.2-57.9-173.8000111.3V627 K637 V638 P644 L649 F652 L653 Y659 G660 V661V627-L629 HydrophobicContact CG1-CD2 4.32Å; L629-K637 CarbonylContact O-C 3.52Å; L629-K637 VanDerWaalsContact O-CA 3.26Å; L629-K637 WeakPolarHBondContact O-CA 3.27Å; L629-V638 PolarHBondContact N-O 2.89Å; L629-V638 PolarHBondContact O-N 2.96Å; L629-P644 HydrophobicContact CD1-CG 3.81Å; L629-P644 HydrophobicContact CG-CG 4.47Å; L629-L649 HydrophobicContact CD2-CD1 3.78Å; L629-F652 HydrophobicContact CD1-CD1 3.44Å; L629-F652 VanDerWaalsContact CD1-CD1 3.44Å; L629-F652 HydrophobicContact CD1-CE1 3.28Å; L629-F652 HydrophobicContact CD1-CZ 4.25Å; L629-L653 HydrophobicContact CD1-CD2 4.08Å; L629-L653 HydrophobicContact CD2-CD2 4.12Å; L629-Y659 HydrophobicContact CB-CD1 4.4Å; L629-G660 CarbonylContact C-O 3.59Å; L629-G660 WeakPolarHBondContact CA-O 3.3Å; L629-V661 HydrophobicContact CD2-CB 4.45Å; L629-V661 HydrophobicContact CD2-CG2 4.1Å
630I89.1Confident82.7Confident6 Ų660.2 Ų60.23%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-133.3126174.5-41.9-174.1000108.3R632 R636 K637 G660 A662 L684 V688I630-R632 PolarHBondContact O-N 3.26Å; I630-R636 WeakPolarHBondContact CA-O 3.44Å; I630-K637 HydrophobicContact CD1-CD 4.23Å; I630-K637 HydrophobicContact CD1-CG 4.16Å; I630-K637 HydrophobicContact CG1-CD 4.42Å; I630-K637 HydrophobicContact CG1-CG 4.01Å; I630-K637 HydrophobicContact CG2-CG 4.41Å; I630-G660 PolarHBondContact N-O 2.92Å; I630-G660 PolarHBondContact O-N 2.77Å; I630-A662 HydrophobicContact CD1-CB 3.74Å; I630-A662 HydrophobicContact CG1-CB 3.73Å; I630-L684 HydrophobicContact CB-CD1 3.73Å; I630-L684 HydrophobicContact CD1-CD1 4.09Å; I630-L684 HydrophobicContact CG1-CD1 4.11Å; I630-L684 HydrophobicContact CG2-CD1 4.5Å; I630-V688 HydrophobicContact CD1-CG2 4.44Å
631N87.6Confident82.5Confident3 Ų359 Ų592%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-70.1126169.8176.4-67.8000109.1R633 N634 A635 R636 E658 Y659N631-R633 PolarHBondContact O-N 3.29Å; N631-R633 WeakPolarHBondContact OD1-CB 3.44Å; N631-R633 PolarHBondContact OD1-N 2.9Å; N631-N634 WeakPolarHBondContact CB-OD1 3.47Å; N631-N634 PolarHBondContact OD1-N 3.43Å; N631-N634 VanDerWaalsContact OD1-N 3.1Å; N631-N634 PolarHBondContact OD1-ND2 3.24Å; N631-A635 VanDerWaalsContact O-CA 3.28Å; N631-A635 WeakPolarHBondContact O-CA 3.21Å; N631-A635 PolarHBondContact O-N 2.92Å; N631-R636 PolarHBondContact N-O 2.97Å; N631-R636 VanDerWaalsContact N-O 3.09Å; N631-E658 CarbonylContact C-O 3.59Å; N631-E658 WeakPolarHBondContact CA-O 3.39Å; N631-E658 PolarHBondContact ND2-OE2 2.6Å; N631-Y659 HydrophobicContact CB-CD1 3.95Å; N631-Y659 HydrophobicContact CB-CE1 3.73Å; N631-Y659 HydrophobicContact CB-CG 4.48Å
632R81.8Confident82.5Confident133 Ų13365.7 Ų65.750%0.50232%0.32SS..THydrogen-bonded Turntrans-65.4-35.5-172.9-64.9174.769.41713.9112.7I630 E658 L684I630-R632 PolarHBondContact O-N 3.26Å; R632-E658 WeakPolarHBondContact CB-O 3.42Å; R632-E658 WeakPolarHBondContact CG-O 3.48Å; R632-E658 PolarHBondContact N-O 3.35Å; R632-L684 HydrophobicContact CG-CD2 4.31Å
633R76.3Confident83Confident151 Ų15161.3 Ų61.357%0.5729%0.293SS*.THydrogen-bonded Turntrans-76.7-35.4-176.8-58.3-176.2-173.9147.78.1113.1N631 E658N631-R633 PolarHBondContact O-N 3.29Å; N631-R633 WeakPolarHBondContact OD1-CB 3.44Å; N631-R633 PolarHBondContact OD1-N 2.9Å; R633-E658 IonicContact CZ-OE1 3.79Å; R633-E658 IonicContact CZ-OE2 3.6Å; R633-E658 IonicContact NE-OE2 3.27Å; R633-E658 IonicContact NH1-OE1 3.88Å; R633-E658 PolarHBondContact NH1-OE1 3.34Å; R633-E658 IonicContact NH1-OE2 2.78Å; R633-E658 PolarHBondContact NH1-OE2 2.92Å; R633-E658 IonicContact NH2-OE1 2.78Å; R633-E658 PolarHBondContact NH2-OE1 2.95Å
634N80Confident83.5Confident67 Ų6761.9 Ų61.936%0.35830%0.297SS..THydrogen-bonded Turntrans-119.40.3-171.169.640.1000115.1N631 R636N631-N634 WeakPolarHBondContact CB-OD1 3.47Å; N631-N634 PolarHBondContact OD1-N 3.43Å; N631-N634 VanDerWaalsContact OD1-N 3.1Å; N631-N634 PolarHBondContact OD1-ND2 3.24Å; N634-R636 PolarHBondContact O-N 3.02Å; N634-R636 WeakPolarHBondContact OD1-CB 3.1Å; N634-R636 VanDerWaalsContact OD1-CG 3.23Å; N634-R636 WeakPolarHBondContact OD1-CG 3.49Å; N634-R636 PolarHBondContact OD1-N 2.9Å
635A80.1Confident83.8Confident42 Ų4257.1 Ų57.135%0.34728%0.276SS..  trans55.712.5-17900000115.9N631 K637 V688N631-A635 VanDerWaalsContact O-CA 3.28Å; N631-A635 WeakPolarHBondContact O-CA 3.21Å; N631-A635 PolarHBondContact O-N 2.92Å; A635-K637 PolarHBondContact O-N 3.31Å; A635-V688 HydrophobicContact CB-CG1 4.14Å
636R82.5Confident83.7Confident186 Ų18655.4 Ų55.470%0.70227%0.268SS*.PPolyproline II helixtrans-72.1125.9177.4-65.7179.2173-151.9-0.9110I630 N631 N634I630-R636 WeakPolarHBondContact CA-O 3.44Å; N631-R636 PolarHBondContact N-O 2.97Å; N631-R636 VanDerWaalsContact N-O 3.09Å; N634-R636 PolarHBondContact O-N 3.02Å; N634-R636 WeakPolarHBondContact OD1-CB 3.1Å; N634-R636 VanDerWaalsContact OD1-CG 3.23Å; N634-R636 WeakPolarHBondContact OD1-CG 3.49Å; N634-R636 PolarHBondContact OD1-N 2.9Å
637K87.9Confident83.6Confident103 Ų10356 Ų5645%0.44827%0.273SS..EExtended strand (participates in β ladder)trans-81.7121.9174.3-57.1-158.2171.4-170.80111.1L629 I630 A635 E664L629-K637 CarbonylContact O-C 3.52Å; L629-K637 VanDerWaalsContact O-CA 3.26Å; L629-K637 WeakPolarHBondContact O-CA 3.27Å; I630-K637 HydrophobicContact CD1-CD 4.23Å; I630-K637 HydrophobicContact CD1-CG 4.16Å; I630-K637 HydrophobicContact CG1-CD 4.42Å; I630-K637 HydrophobicContact CG1-CG 4.01Å; I630-K637 HydrophobicContact CG2-CG 4.41Å; A635-K637 PolarHBondContact O-N 3.31Å; K637-E664 IonicContact NZ-OE1 2.74Å; K637-E664 PolarHBondContact NZ-OE1 2.85Å; K637-E664 IonicContact NZ-OE2 2.62Å; K637-E664 PolarHBondContact NZ-OE2 2.94Å
638V83.1Confident83.5Confident36 Ų3658 Ų5822%0.21828%0.284CS..EExtended strand (participates in β ladder)trans-94.3123.4171.71780000109.2Q628 L629 F642 Y659Q628-V638 WeakPolarHBondContact CG-O 3.15Å; L629-V638 PolarHBondContact N-O 2.89Å; L629-V638 PolarHBondContact O-N 2.96Å; V638-F642 HydrophobicContact CG1-CB 3.75Å; V638-F642 WeakPolarHBondContact CG1-O 3.5Å; V638-Y659 HydrophobicContact CG2-CD1 4.46Å; V638-Y659 HydrophobicContact CG2-CE1 3.79Å
639G82.3Confident83.3Confident30 Ų3055.7 Ų55.731%0.30927%0.273SS..  trans-157.5167.8-173.500000113.6
640G79.8Confident83Confident16 Ų1656.9 Ų56.917%0.16528%0.281CS..G310 helixtrans76.8-133.9-173.700000111.7H608 C610 R626 F642 A643H608-G640 CarbonylContact O-C 3.37Å; H608-G640 VanDerWaalsContact O-CA 3.31Å; H608-G640 WeakPolarHBondContact O-CA 3.32Å; C610-G640 PolarHBondContact SG-N 3.38Å; R626-G640 WeakPolarHBondContact CD-O 3.39Å; G640-F642 PolarHBondContact O-N 2.83Å; G640-A643 PolarHBondContact O-N 2.76Å
641A73.3Confident82.9Confident56 Ų5663.8 Ų63.846%0.46331%0.307SS..G310 helixtrans-64.2-25.1-177.900000113.9H608 R626H608-A641 PolarHBondContact O-N 3.09Å; R626-A641 PolarHBondContact NH1-O 2.86Å
642F75.4Confident82.8Confident164 Ų16466 Ų6672%0.71932%0.316SS*.G310 helixtrans-85.6-8.3178.6-61.2-74.2000114V638 G640V638-F642 HydrophobicContact CG1-CB 3.75Å; V638-F642 WeakPolarHBondContact CG1-O 3.5Å; G640-F642 PolarHBondContact O-N 2.83Å
643A84.9Confident83Confident1 Ų159.7 Ų59.71%0.00829%0.292CS..SBendtrans-77.7133.5172.400000110.2R626 V627 G640R626-A643 HydrophobicContact CB-CB 3.92Å; R626-A643 WeakPolarHBondContact CD-O 3.43Å; R626-A643 WeakPolarHBondContact CG-O 3.45Å; R626-A643 PolarHBondContact NH1-O 3.02Å; V627-A643 WeakPolarHBondContact O-CB 3.48Å; G640-A643 PolarHBondContact O-N 2.76Å
644P86.2Confident83.4Confident12 Ų1259 Ų598%0.07829%0.293CS..PPolyproline II helixtrans-66.4151.3174.129.8-35.1000110.7R626 V627 L629 L649 F652R626-P644 WeakPolarHBondContact CA-O 3.27Å; V627-P644 PolarHBondContact N-O 3.49Å; L629-P644 HydrophobicContact CD1-CG 3.81Å; L629-P644 HydrophobicContact CG-CG 4.47Å; P644-L649 HydrophobicContact CG-CD1 4.41Å; P644-F652 HydrophobicContact CB-CB 4.12Å; P644-F652 HydrophobicContact CB-CD2 4.22Å; P644-F652 HydrophobicContact CB-CG 4.1Å; P644-F652 HydrophobicContact CG-CB 4.14Å; P644-F652 HydrophobicContact CG-CD1 4.04Å; P644-F652 HydrophobicContact CG-CD2 4.25Å; P644-F652 HydrophobicContact CG-CG 3.85Å
645P87.2Confident83.7Confident21 Ų2162.7 Ų62.714%0.13631%0.309CS..BIsolated β-bridgetrans-68152169.433.5-36.5000110.2K647 D648 L649P645-K647 HydrophobicContact CB-CG 4.37Å; P645-K647 HydrophobicContact CG-CG 4.28Å; P645-K647 PolarHBondContact O-N 3.08Å; P645-K647 VanDerWaalsContact O-N 3.16Å; P645-D648 HydrophobicContact CG-CB 3.95Å; P645-D648 WeakPolarHBondContact CG-OD2 3.05Å; P645-D648 PolarHBondContact O-N 3.04Å; P645-L649 PolarHBondContact O-N 2.69Å
646L85.5Confident84Confident0 Ų063 Ų630%030%0.304CS..THydrogen-bonded Turntrans-52.7-35.9-177178.160.7000113.5L621 G623 E625 V627 L649 V669 F674L621-L646 HydrophobicContact CB-CD2 4.26Å; L621-L646 HydrophobicContact CD1-CD2 3.97Å; L621-L646 HydrophobicContact CD2-CD2 4.33Å; L621-L646 HydrophobicContact CG-CD2 4.42Å; G623-L646 PolarHBondContact O-N 3.14Å; G623-L646 VanDerWaalsContact O-N 3.11Å; E625-L646 WeakPolarHBondContact O-CB 3.31Å; E625-L646 PolarHBondContact O-N 2.76Å; V627-L646 HydrophobicContact CG2-CB 3.86Å; V627-L646 HydrophobicContact CG2-CD1 3.75Å; V627-L646 HydrophobicContact CG2-CG 4.39Å; L646-L649 HydrophobicContact CD1-CD2 4.07Å; L646-L649 WeakPolarHBondContact O-CB 3.48Å; L646-L649 PolarHBondContact O-N 3.17Å; L646-V669 HydrophobicContact CD1-CG2 4.01Å; L646-F674 HydrophobicContact CD1-CB 4.06Å; L646-F674 HydrophobicContact CD2-CD2 3.61Å; L646-F674 HydrophobicContact CD2-CE2 4.12Å; L646-F674 HydrophobicContact CD2-CG 4.35Å; L646-F674 HydrophobicContact CG-CB 3.81Å; L646-F674 HydrophobicContact CG-CD2 3.68Å; L646-F674 HydrophobicContact CG-CE2 4.49Å; L646-F674 HydrophobicContact CG-CG 3.92Å
647K85Confident83.8Confident100 Ų10058.2 Ų58.244%0.43530%0.3SS..THydrogen-bonded Turntrans-66.5-33.217666.5-168.3172.4-177.50114.7G623 E624 P645 F674G623-K647 WeakPolarHBondContact O-CB 3.46Å; G623-K647 VanDerWaalsContact O-CG 3.29Å; G623-K647 WeakPolarHBondContact O-CG 3.17Å; G623-K647 PolarHBondContact O-N 3.2Å; E624-K647 IonicContact OE1-NZ 3.75Å; E624-K647 PolarHBondContact OE1-NZ 3.44Å; P645-K647 HydrophobicContact CB-CG 4.37Å; P645-K647 HydrophobicContact CG-CG 4.28Å; P645-K647 PolarHBondContact O-N 3.08Å; P645-K647 VanDerWaalsContact O-N 3.16Å; K647-F674 HydrophobicContact CB-CD1 4.15Å; K647-F674 HydrophobicContact CB-CE1 4.28Å
648D85.6Confident83.6Confident43 Ų4356.4 Ų56.423%0.2329%0.293CS..THydrogen-bonded Turntrans-90-7.5177.7-69.5-62000112.7P645 C650 R651 F652P645-D648 HydrophobicContact CG-CB 3.95Å; P645-D648 WeakPolarHBondContact CG-OD2 3.05Å; P645-D648 PolarHBondContact O-N 3.04Å; D648-C650 VanDerWaalsContact C-N 3.28Å; D648-C650 PolarHBondContact O-N 3.09Å; D648-R651 PolarHBondContact O-N 3.29Å; D648-R651 IonicContact OD1-CZ 3.15Å; D648-R651 IonicContact OD1-NH1 2.68Å; D648-R651 PolarHBondContact OD1-NH1 3.09Å; D648-R651 IonicContact OD1-NH2 2.76Å; D648-R651 PolarHBondContact OD1-NH2 3.24Å; D648-F652 PolarHBondContact O-N 3.07Å
649L85.9Confident83.8Confident0 Ų057.3 Ų57.30%029%0.293CS..Hα-helixtrans-53-42.7-175.2-177.765.3000112.9V627 L629 P644 P645 L646 R651 L653 V661 V669 L675V627-L649 HydrophobicContact CB-CD1 4.29Å; V627-L649 HydrophobicContact CG1-CD1 4.23Å; V627-L649 HydrophobicContact CG1-CD2 4.23Å; V627-L649 HydrophobicContact CG2-CD2 4.3Å; L629-L649 HydrophobicContact CD2-CD1 3.78Å; P644-L649 HydrophobicContact CG-CD1 4.41Å; P645-L649 PolarHBondContact O-N 2.69Å; L646-L649 HydrophobicContact CD1-CD2 4.07Å; L646-L649 WeakPolarHBondContact O-CB 3.48Å; L646-L649 PolarHBondContact O-N 3.17Å; L649-R651 PolarHBondContact O-N 3.36Å; L649-L653 HydrophobicContact CD1-CD1 3.7Å; L649-L653 HydrophobicContact CD1-CG 3.94Å; L649-L653 HydrophobicContact CG-CD1 3.81Å; L649-L653 HydrophobicContact CG-CG 4.39Å; L649-L653 WeakPolarHBondContact O-CB 3.42Å; L649-L653 VanDerWaalsContact O-CG 3.28Å; L649-L653 WeakPolarHBondContact O-CG 3.07Å; L649-L653 PolarHBondContact O-N 3.25Å; L649-V661 HydrophobicContact CD1-CG2 4.25Å; L649-V661 HydrophobicContact CD2-CG2 4.21Å; L649-V669 HydrophobicContact CD2-CG1 3.72Å; L649-V669 HydrophobicContact CD2-CG2 3.9Å; L649-L675 HydrophobicContact CD2-CB 4.45Å; L649-L675 HydrophobicContact CD2-CD2 4.41Å
650C83.8Confident84Confident24 Ų2455.9 Ų55.916%0.16228%0.278CS..Hα-helixtrans-62.5-41.7178.9-176.10000112.2D648 K654 L675 P676D648-C650 VanDerWaalsContact C-N 3.28Å; D648-C650 PolarHBondContact O-N 3.09Å; C650-K654 VanDerWaalsContact O-CG 3.3Å; C650-K654 WeakPolarHBondContact O-CG 3.21Å; C650-K654 PolarHBondContact O-N 3.12Å; C650-L675 HydrophobicContact CB-CD1 4.13Å; C650-P676 VanDerWaalsContact SG-CD 3.54Å
651R86.5Confident84.4Confident152 Ų15255.1 Ų55.157%0.57427%0.27SS*.Hα-helixtrans-68.8-53.6175.7-174.7175.372.9-112.8-7.4110.5D648 L649 L653 K654 E655D648-R651 PolarHBondContact O-N 3.29Å; D648-R651 IonicContact OD1-CZ 3.15Å; D648-R651 IonicContact OD1-NH1 2.68Å; D648-R651 PolarHBondContact OD1-NH1 3.09Å; D648-R651 IonicContact OD1-NH2 2.76Å; D648-R651 PolarHBondContact OD1-NH2 3.24Å; L649-R651 PolarHBondContact O-N 3.36Å; R651-L653 VanDerWaalsContact C-N 3.32Å; R651-L653 PolarHBondContact O-N 2.87Å; R651-K654 WeakPolarHBondContact O-CB 3.5Å; R651-K654 PolarHBondContact O-N 3.14Å; R651-E655 PolarHBondContact O-N 3.43Å
652F86.3Confident85.1Confident49 Ų4952.5 Ų52.522%0.21525%0.248CC..Hα-helixtrans-52.8-48.9-177.4-178.2-84.7000111.8L629 P644 D648 K654 E655 N656 Y659L629-F652 HydrophobicContact CD1-CD1 3.44Å; L629-F652 VanDerWaalsContact CD1-CD1 3.44Å; L629-F652 HydrophobicContact CD1-CE1 3.28Å; L629-F652 HydrophobicContact CD1-CZ 4.25Å; P644-F652 HydrophobicContact CB-CB 4.12Å; P644-F652 HydrophobicContact CB-CD2 4.22Å; P644-F652 HydrophobicContact CB-CG 4.1Å; P644-F652 HydrophobicContact CG-CB 4.14Å; P644-F652 HydrophobicContact CG-CD1 4.04Å; P644-F652 HydrophobicContact CG-CD2 4.25Å; P644-F652 HydrophobicContact CG-CG 3.85Å; D648-F652 PolarHBondContact O-N 3.07Å; F652-K654 VanDerWaalsContact C-N 3.35Å; F652-K654 PolarHBondContact O-N 3.17Å; F652-E655 PolarHBondContact O-N 3.47Å; F652-N656 HydrophobicContact CD1-CB 4.21Å; F652-N656 HydrophobicContact CE1-CB 3.78Å; F652-N656 HydrophobicContact CZ-CB 4.12Å; F652-N656 VanDerWaalsContact O-CB 3.22Å; F652-N656 WeakPolarHBondContact O-CB 3.43Å; F652-N656 PolarHBondContact O-N 2.89Å; F652-N656 PolarHBondContact O-ND2 3.14Å; F652-Y659 HydrophobicContact CE1-CG 4.38Å
653L85Confident85.5Confident0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-69.8-28.5-178.8-66.5171.7000113.2L629 L649 R651 N656 Y659 V661 L675 R682L629-L653 HydrophobicContact CD1-CD2 4.08Å; L629-L653 HydrophobicContact CD2-CD2 4.12Å; L649-L653 HydrophobicContact CD1-CD1 3.7Å; L649-L653 HydrophobicContact CD1-CG 3.94Å; L649-L653 HydrophobicContact CG-CD1 3.81Å; L649-L653 HydrophobicContact CG-CG 4.39Å; L649-L653 WeakPolarHBondContact O-CB 3.42Å; L649-L653 VanDerWaalsContact O-CG 3.28Å; L649-L653 WeakPolarHBondContact O-CG 3.07Å; L649-L653 PolarHBondContact O-N 3.25Å; R651-L653 VanDerWaalsContact C-N 3.32Å; R651-L653 PolarHBondContact O-N 2.87Å; L653-N656 CarbonylContact O-C 3.57Å; L653-Y659 WeakPolarHBondContact CD2-O 3.31Å; L653-V661 HydrophobicContact CD1-CG2 3.8Å; L653-L675 HydrophobicContact CD1-CD1 4.23Å; L653-R682 VanDerWaalsContact CB-NH2 3.27Å; L653-R682 PolarHBondContact O-NH1 3Å
654K85.1Confident85.4Confident137 Ų13750.2 Ų50.260%0.59624%0.244SC*.Hα-helixtrans-67.1-42.2173.6-79.8175.5177.6-174.40111C650 R651 F652 M679C650-K654 VanDerWaalsContact O-CG 3.3Å; C650-K654 WeakPolarHBondContact O-CG 3.21Å; C650-K654 PolarHBondContact O-N 3.12Å; R651-K654 WeakPolarHBondContact O-CB 3.5Å; R651-K654 PolarHBondContact O-N 3.14Å; F652-K654 VanDerWaalsContact C-N 3.35Å; F652-K654 PolarHBondContact O-N 3.17Å; K654-M679 HydrophobicContact CD-CE 4.48Å; K654-M679 HydrophobicContact CG-CE 3.87Å
655E86.8Confident85.4Confident145 Ų14549.7 Ų49.768%0.67824%0.241SC*.Hα-helixtrans-70.6-31.9175.8-173.7177.1-16700112.1R651 F652R651-E655 PolarHBondContact O-N 3.43Å; F652-E655 PolarHBondContact O-N 3.47Å
656N85.2Confident85.2Confident47 Ų4748.8 Ų48.825%0.25124%0.235SC..  trans-11969.1-173.7-66.4-98.9000111.7F652 L653 E658 Y659F652-N656 HydrophobicContact CD1-CB 4.21Å; F652-N656 HydrophobicContact CE1-CB 3.78Å; F652-N656 HydrophobicContact CZ-CB 4.12Å; F652-N656 VanDerWaalsContact O-CB 3.22Å; F652-N656 WeakPolarHBondContact O-CB 3.43Å; F652-N656 PolarHBondContact O-N 2.89Å; F652-N656 PolarHBondContact O-ND2 3.14Å; L653-N656 CarbonylContact O-C 3.57Å; N656-E658 PolarHBondContact O-N 2.62Å; N656-Y659 HydrophobicContact CB-CD2 3.74Å; N656-Y659 HydrophobicContact CB-CE2 4.32Å; N656-Y659 HydrophobicContact CB-CG 4.48Å; N656-Y659 PolarHBondContact O-N 3.43Å
657S79.9Confident85.1Confident87 Ų8753.8 Ų53.861%0.60826%0.262SS*.THydrogen-bonded Turntrans-56.2-22.7-177.262.50000115.1Y659S657-Y659 VanDerWaalsContact C-N 3.25Å; S657-Y659 PolarHBondContact O-N 2.86Å
658E82.6Confident85.1Confident64 Ų6449.8 Ų49.830%0.29925%0.246SC..THydrogen-bonded Turntrans-71.3-14.6176.9-53.6-169.8-165.900114.4N631 R632 R633 N656N631-E658 CarbonylContact C-O 3.59Å; N631-E658 WeakPolarHBondContact CA-O 3.39Å; N631-E658 PolarHBondContact ND2-OE2 2.6Å; R632-E658 WeakPolarHBondContact CB-O 3.42Å; R632-E658 WeakPolarHBondContact CG-O 3.48Å; R632-E658 PolarHBondContact N-O 3.35Å; R633-E658 IonicContact CZ-OE1 3.79Å; R633-E658 IonicContact CZ-OE2 3.6Å; R633-E658 IonicContact NE-OE2 3.27Å; R633-E658 IonicContact NH1-OE1 3.88Å; R633-E658 PolarHBondContact NH1-OE1 3.34Å; R633-E658 IonicContact NH1-OE2 2.78Å; R633-E658 PolarHBondContact NH1-OE2 2.92Å; R633-E658 IonicContact NH2-OE1 2.78Å; R633-E658 PolarHBondContact NH2-OE1 2.95Å; N656-E658 PolarHBondContact O-N 2.62Å
659Y86.9Confident85Confident56 Ų5647.8 Ų47.822%0.2224%0.235CC..EExtended strand (participates in β ladder)trans-105.1134.9-172.4-67.3-102.9000111L629 N631 V638 F652 L653 N656 S657L629-Y659 HydrophobicContact CB-CD1 4.4Å; N631-Y659 HydrophobicContact CB-CD1 3.95Å; N631-Y659 HydrophobicContact CB-CE1 3.73Å; N631-Y659 HydrophobicContact CB-CG 4.48Å; V638-Y659 HydrophobicContact CG2-CD1 4.46Å; V638-Y659 HydrophobicContact CG2-CE1 3.79Å; F652-Y659 HydrophobicContact CE1-CG 4.38Å; L653-Y659 WeakPolarHBondContact CD2-O 3.31Å; N656-Y659 HydrophobicContact CB-CD2 3.74Å; N656-Y659 HydrophobicContact CB-CE2 4.32Å; N656-Y659 HydrophobicContact CB-CG 4.48Å; N656-Y659 PolarHBondContact O-N 3.43Å; S657-Y659 VanDerWaalsContact C-N 3.25Å; S657-Y659 PolarHBondContact O-N 2.86Å
660G86.6Confident85Confident0 Ų051.5 Ų51.50%025%0.251CS..EExtended strand (participates in β ladder)trans-110.3157.8168.700000111.6L629 I630 R682L629-G660 CarbonylContact C-O 3.59Å; L629-G660 WeakPolarHBondContact CA-O 3.3Å; I630-G660 PolarHBondContact N-O 2.92Å; I630-G660 PolarHBondContact O-N 2.77Å; G660-R682 CarbonylContact C-O 3.49Å; G660-R682 WeakPolarHBondContact CA-O 3.33Å
661V89.2Confident84.7Confident0 Ų056.5 Ų56.50%027%0.272CS..EExtended strand (participates in β ladder)trans-70.7134.8168.1-178.20000108.5V627 L629 L649 L653 W665 V669 R682 I683 L684V627-V661 HydrophobicContact CG1-CG1 3.98Å; L629-V661 HydrophobicContact CD2-CB 4.45Å; L629-V661 HydrophobicContact CD2-CG2 4.1Å; L649-V661 HydrophobicContact CD1-CG2 4.25Å; L649-V661 HydrophobicContact CD2-CG2 4.21Å; L653-V661 HydrophobicContact CD1-CG2 3.8Å; V661-W665 HydrophobicContact CG1-CB 3.79Å; V661-V669 HydrophobicContact CG1-CG2 4.03Å; V661-R682 PolarHBondContact N-O 2.97Å; V661-I683 HydrophobicContact CB-CB 4.44Å; V661-I683 HydrophobicContact CB-CG1 4.02Å; V661-I683 HydrophobicContact CG1-CG1 4.5Å; V661-I683 HydrophobicContact CG2-CG1 4.25Å; V661-L684 WeakPolarHBondContact O-CB 3.44Å; V661-L684 PolarHBondContact O-N 3.14Å
662A88.3Confident84.2Confident0 Ų050.2 Ų50.20%025%0.252CS..  trans-63.4145.9178.500000111.9Q628 I630 E664 W665 G666Q628-A662 HydrophobicContact CB-CB 4.5Å; Q628-A662 VanDerWaalsContact O-CB 3.3Å; Q628-A662 WeakPolarHBondContact O-CB 3.29Å; Q628-A662 PolarHBondContact O-N 3.31Å; Q628-A662 VanDerWaalsContact O-N 3.1Å; I630-A662 HydrophobicContact CD1-CB 3.74Å; I630-A662 HydrophobicContact CG1-CB 3.73Å; A662-E664 HydrophobicContact CB-CG 3.81Å; A662-E664 PolarHBondContact O-N 3.16Å; A662-W665 PolarHBondContact O-N 2.9Å; A662-G666 PolarHBondContact O-N 3.13Å
663P83.9Confident83.7Confident53 Ų5350.7 Ų50.734%0.34427%0.27SS..G310 helixtrans-52-43.9179.615.1-28.3000112.2W665 G666 L684P663-W665 PolarHBondContact O-N 2.86Å; P663-G666 PolarHBondContact O-N 3.16Å; P663-L684 WeakPolarHBondContact CA-O 3.37Å; P663-L684 VanDerWaalsContact CB-O 3.23Å; P663-L684 WeakPolarHBondContact CB-O 3.16Å
664E82.3Confident83.5Confident65 Ų6554.4 Ų54.430%0.30429%0.286SS..G310 helixtrans-56.2-21.2177.658.5-117-152.800114.9P613 K637 A662P613-E664 WeakPolarHBondContact CB-O 3.44Å; P613-E664 HydrophobicContact CG-CB 4.15Å; P613-E664 HydrophobicContact CG-CG 4.48Å; P613-E664 WeakPolarHBondContact CG-O 3.49Å; K637-E664 IonicContact NZ-OE1 2.74Å; K637-E664 PolarHBondContact NZ-OE1 2.85Å; K637-E664 IonicContact NZ-OE2 2.62Å; K637-E664 PolarHBondContact NZ-OE2 2.94Å; A662-E664 HydrophobicContact CB-CG 3.81Å; A662-E664 PolarHBondContact O-N 3.16Å
665W85.4Confident83.3Confident1 Ų147.9 Ų47.90%0.00426%0.258CS..G310 helixtrans-102.8-6.5177.3-77.884.2000113.9C610 R611 P613 L616 R626 V627 Q628 V661 A662 P663 D667 V668 V669C610-W665 HydrophobicContact CB-CZ2 4.11Å; R611-W665 WeakPolarHBondContact O-CZ2 3.47Å; P613-W665 HydrophobicContact CB-CD2 3.92Å; P613-W665 HydrophobicContact CB-CE3 4.24Å; P613-W665 HydrophobicContact CB-CG 4.2Å; P613-W665 HydrophobicContact CG-CD2 4.26Å; P613-W665 HydrophobicContact CG-CG 4.25Å; L616-W665 HydrophobicContact CD1-CE3 4.46Å; L616-W665 HydrophobicContact CD1-CH2 3.66Å; L616-W665 HydrophobicContact CD1-CZ3 3.5Å; R626-W665 WeakPolarHBondContact O-CH2 3.49Å; R626-W665 WeakPolarHBondContact O-CZ2 3.39Å; V627-W665 HydrophobicContact CB-CE3 4.24Å; V627-W665 HydrophobicContact CG1-CB 4.08Å; V627-W665 HydrophobicContact CG1-CD2 4.05Å; V627-W665 HydrophobicContact CG1-CE3 4.02Å; V627-W665 HydrophobicContact CG1-CG 4.09Å; V627-W665 HydrophobicContact CG2-CE3 3.99Å; V627-W665 HydrophobicContact CG2-CZ3 4.06Å; Q628-W665 VanDerWaalsContact CB-NE1 3.3Å; V661-W665 HydrophobicContact CG1-CB 3.79Å; A662-W665 PolarHBondContact O-N 2.9Å; P663-W665 PolarHBondContact O-N 2.86Å; W665-D667 PolarHBondContact O-N 2.87Å; W665-V668 PolarHBondContact O-N 2.87Å; W665-V669 HydrophobicContact CB-CG2 4.42Å; W665-V669 WeakPolarHBondContact O-CG2 3.38Å; W665-V669 PolarHBondContact O-N 3.17Å
666G84.3Confident83Confident2 Ų243.8 Ų43.82%0.02124%0.244CC..Hα-helixtrans-57.6-49.6-169.200000114.1A662 P663 V669 K670 I683A662-G666 PolarHBondContact O-N 3.13Å; P663-G666 PolarHBondContact O-N 3.16Å; G666-V669 PolarHBondContact O-N 3.25Å; G666-K670 VanDerWaalsContact O-CG 3.3Å; G666-K670 WeakPolarHBondContact O-CG 3.44Å; G666-K670 PolarHBondContact O-N 3.3Å; G666-I683 VanDerWaalsContact CA-CG2 3.41Å
667D83.3Confident82.6Confident105 Ų10548.7 Ų48.756%0.56127%0.266SS*.Hα-helixtrans-69.6-38.1-177.1-56-41.6000112.2W665 Q671W665-D667 PolarHBondContact O-N 2.87Å; D667-Q671 WeakPolarHBondContact O-CB 3.5Å; D667-Q671 VanDerWaalsContact O-CG 3.25Å; D667-Q671 WeakPolarHBondContact O-CG 3.16Å; D667-Q671 PolarHBondContact O-N 3.41Å
668V84.4Confident82.6Confident16 Ų1649.1 Ų49.110%0.09727%0.269CS..Hα-helixtrans-62-47.3175-177.50000110.1P613 L616 L621 W665 Q671 S672P613-V668 HydrophobicContact CB-CG2 3.79Å; L616-V668 HydrophobicContact CB-CG1 4.45Å; L616-V668 HydrophobicContact CD1-CG1 4.12Å; L621-V668 HydrophobicContact CD1-CG1 3.85Å; L621-V668 HydrophobicContact CD2-CG1 4.32Å; W665-V668 PolarHBondContact O-N 2.87Å; V668-Q671 PolarHBondContact O-N 3.29Å; V668-S672 WeakPolarHBondContact O-CB 3.43Å; V668-S672 PolarHBondContact O-N 3Å; V668-S672 PolarHBondContact O-OG 2.92Å
669V84.1Confident82.3Confident0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-64.2-46.2-179.9170.10000111.3V627 L646 L649 V661 W665 G666 Q671 S672 L675 I683V627-V669 HydrophobicContact CG1-CG2 3.94Å; V627-V669 HydrophobicContact CG2-CG2 4.35Å; L646-V669 HydrophobicContact CD1-CG2 4.01Å; L649-V669 HydrophobicContact CD2-CG1 3.72Å; L649-V669 HydrophobicContact CD2-CG2 3.9Å; V661-V669 HydrophobicContact CG1-CG2 4.03Å; W665-V669 HydrophobicContact CB-CG2 4.42Å; W665-V669 WeakPolarHBondContact O-CG2 3.38Å; W665-V669 PolarHBondContact O-N 3.17Å; G666-V669 PolarHBondContact O-N 3.25Å; V669-Q671 PolarHBondContact O-N 3.11Å; V669-S672 PolarHBondContact O-N 3Å; V669-S672 PolarHBondContact O-OG 3.19Å; V669-L675 HydrophobicContact CG1-CB 3.61Å; V669-L675 HydrophobicContact CG1-CD2 3.54Å; V669-L675 HydrophobicContact CG1-CG 4.21Å; V669-I683 HydrophobicContact CG1-CD1 4.35Å
670K84.4Confident82.1Confident78 Ų7848 Ų4834%0.33926%0.264SS..Hα-helixtrans-58.9-45.5177.4-73.9172.9179.6-179.60112.9G666 S672 Y680 I683G666-K670 VanDerWaalsContact O-CG 3.3Å; G666-K670 WeakPolarHBondContact O-CG 3.44Å; G666-K670 PolarHBondContact O-N 3.3Å; K670-S672 VanDerWaalsContact C-N 3.29Å; K670-S672 PolarHBondContact O-N 3.42Å; K670-Y680 HydrophobicContact CB-CE1 4.33Å; K670-Y680 HydrophobicContact CB-CE2 4.42Å; K670-Y680 HydrophobicContact CG-CD1 3.98Å; K670-Y680 HydrophobicContact CG-CD2 4.08Å; K670-Y680 HydrophobicContact CG-CE1 3.92Å; K670-Y680 HydrophobicContact CG-CE2 4.03Å; K670-Y680 HydrophobicContact CG-CG 4.07Å; K670-Y680 PolarHBondContact O-OH 3.02Å; K670-Y680 VanDerWaalsContact O-OH 3.1Å; K670-I683 HydrophobicContact CD-CD1 4.26Å; K670-I683 HydrophobicContact CG-CD1 3.66Å
671Q78.4Confident81.5Confident130 Ų13056.5 Ų56.561%0.60730%0.304SS*.Hα-helixtrans-78.1-15.8-177-61.6172.635.500112.5V618 D667 V668 V669V618-Q671 HydrophobicContact CB-CB 4.43Å; V618-Q671 HydrophobicContact CG1-CB 3.68Å; V618-Q671 VanDerWaalsContact CG1-O 3.26Å; V618-Q671 WeakPolarHBondContact CG1-O 3.25Å; V618-Q671 HydrophobicContact CG2-CB 3.94Å; D667-Q671 WeakPolarHBondContact O-CB 3.5Å; D667-Q671 VanDerWaalsContact O-CG 3.25Å; D667-Q671 WeakPolarHBondContact O-CG 3.16Å; D667-Q671 PolarHBondContact O-N 3.41Å; V668-Q671 PolarHBondContact O-N 3.29Å; V669-Q671 PolarHBondContact O-N 3.11Å
672S76.2Confident81Confident20 Ų2058 Ų5814%0.1431%0.309CS..THydrogen-bonded Turntrans-80.8-14.2-177.274.80000116.3V668 V669 K670 F674V668-S672 WeakPolarHBondContact O-CB 3.43Å; V668-S672 PolarHBondContact O-N 3Å; V668-S672 PolarHBondContact O-OG 2.92Å; V669-S672 PolarHBondContact O-N 3Å; V669-S672 PolarHBondContact O-OG 3.19Å; K670-S672 VanDerWaalsContact C-N 3.29Å; K670-S672 PolarHBondContact O-N 3.42Å; S672-F674 VanDerWaalsContact O-CD2 3.24Å; S672-F674 WeakPolarHBondContact O-CD2 3.44Å; S672-F674 PolarHBondContact O-N 2.87Å
673G76.1Confident80.8Confident59 Ų5958.4 Ų58.461%0.60831%0.311SS*.SBendtrans70.5-12.9-177.600000116.8L675G673-L675 PolarHBondContact O-N 3.48Å
674F79.9Confident80.6Confident77 Ų7757.1 Ų57.134%0.33830%0.302SS..SBendtrans-72.2-10.4-178.9-69.3-81000114.8L621 L646 K647 S672L621-F674 HydrophobicContact CB-CE2 4.48Å; L646-F674 HydrophobicContact CD1-CB 4.06Å; L646-F674 HydrophobicContact CD2-CD2 3.61Å; L646-F674 HydrophobicContact CD2-CE2 4.12Å; L646-F674 HydrophobicContact CD2-CG 4.35Å; L646-F674 HydrophobicContact CG-CB 3.81Å; L646-F674 HydrophobicContact CG-CD2 3.68Å; L646-F674 HydrophobicContact CG-CE2 4.49Å; L646-F674 HydrophobicContact CG-CG 3.92Å; K647-F674 HydrophobicContact CB-CD1 4.15Å; K647-F674 HydrophobicContact CB-CE1 4.28Å; S672-F674 VanDerWaalsContact O-CD2 3.24Å; S672-F674 WeakPolarHBondContact O-CD2 3.44Å; S672-F674 PolarHBondContact O-N 2.87Å
675L81.5Confident79.8Confident1 Ų160.4 Ų60.41%0.00533%0.326CS..SBendtrans-118.8123.4172.4-173.468.1000109.1L649 C650 L653 V669 G673 M679 Y680 I683L649-L675 HydrophobicContact CD2-CB 4.45Å; L649-L675 HydrophobicContact CD2-CD2 4.41Å; C650-L675 HydrophobicContact CB-CD1 4.13Å; L653-L675 HydrophobicContact CD1-CD1 4.23Å; V669-L675 HydrophobicContact CG1-CB 3.61Å; V669-L675 HydrophobicContact CG1-CD2 3.54Å; V669-L675 HydrophobicContact CG1-CG 4.21Å; G673-L675 PolarHBondContact O-N 3.48Å; L675-M679 HydrophobicContact CD1-CB 3.79Å; L675-M679 HydrophobicContact CD2-CB 4.37Å; L675-M679 HydrophobicContact CG-CB 3.99Å; L675-Y680 HydrophobicContact CD2-CD1 4.24Å; L675-Y680 WeakPolarHBondContact O-CE1 3.47Å; L675-I683 HydrophobicContact CD2-CD1 4.45Å; L675-I683 HydrophobicContact CD2-CG1 4.45Å
676P80.6Confident78.6Confident59 Ų5961.9 Ų61.938%0.38334%0.342SS..  trans-60.5147.5175.5-25.535.4000112.6C650 S678 M679C650-P676 VanDerWaalsContact SG-CD 3.54Å; P676-S678 VanDerWaalsContact C-N 3.27Å; P676-S678 PolarHBondContact O-N 3.36Å; P676-M679 WeakPolarHBondContact O-CA 3.46Å; P676-M679 WeakPolarHBondContact O-CB 3.32Å; P676-M679 PolarHBondContact O-N 3.34Å
677E76.6Confident77.1Confident150 Ų15067.7 Ų67.770%0.70138%0.379SS*.G310 helixtrans-58.8-35.2-177.9178.1152.1-126.300113.5M679 Y680E677-M679 PolarHBondContact O-N 2.88Å; E677-Y680 HydrophobicContact CB-CD2 4.04Å; E677-Y680 HydrophobicContact CB-CE2 3.71Å; E677-Y680 HydrophobicContact CG-CD2 3.72Å; E677-Y680 HydrophobicContact CG-CE2 3.67Å; E677-Y680 WeakPolarHBondContact O-CB 3.45Å; E677-Y680 PolarHBondContact O-N 2.84Å
678S78.8Confident75.7Confident96 Ų9665 Ų6567%0.67137%0.367SS*.G310 helixtrans-60.9-5.4171.756.50000114.9P676P676-S678 VanDerWaalsContact C-N 3.27Å; P676-S678 PolarHBondContact O-N 3.36Å
679M76.6Confident73.7Confident44 Ų4470.5 Ų70.522%0.21740%0.4CS..G310 helixtrans-115.44.8175.8-65.5-62.1-166.100113.5K654 L675 P676 E677 E681 R682K654-M679 HydrophobicContact CD-CE 4.48Å; K654-M679 HydrophobicContact CG-CE 3.87Å; L675-M679 HydrophobicContact CD1-CB 3.79Å; L675-M679 HydrophobicContact CD2-CB 4.37Å; L675-M679 HydrophobicContact CG-CB 3.99Å; P676-M679 WeakPolarHBondContact O-CA 3.46Å; P676-M679 WeakPolarHBondContact O-CB 3.32Å; P676-M679 PolarHBondContact O-N 3.34Å; E677-M679 PolarHBondContact O-N 2.88Å; M679-E681 PolarHBondContact O-N 2.71Å; M679-R682 WeakPolarHBondContact O-CB 3.45Å; M679-R682 PolarHBondContact O-N 2.67Å; M679-R682 VanDerWaalsContact O-N 3.13Å; M679-R682 PolarHBondContact SD-NE 2.71Å; M679-R682 VanDerWaalsContact SD-NE 3.37Å; M679-R682 PolarHBondContact SD-NH2 2.87Å
680Y82.4Confident71.9Confident52 Ų5279.7 Ų79.720%0.20443%0.434CS..G310 helixtrans-65.8-21.7174.8-67.3-13.4000113.2K670 L675 E677 R682 I683K670-Y680 HydrophobicContact CB-CE1 4.33Å; K670-Y680 HydrophobicContact CB-CE2 4.42Å; K670-Y680 HydrophobicContact CG-CD1 3.98Å; K670-Y680 HydrophobicContact CG-CD2 4.08Å; K670-Y680 HydrophobicContact CG-CE1 3.92Å; K670-Y680 HydrophobicContact CG-CE2 4.03Å; K670-Y680 HydrophobicContact CG-CG 4.07Å; K670-Y680 PolarHBondContact O-OH 3.02Å; K670-Y680 VanDerWaalsContact O-OH 3.1Å; L675-Y680 HydrophobicContact CD2-CD1 4.24Å; L675-Y680 WeakPolarHBondContact O-CE1 3.47Å; E677-Y680 HydrophobicContact CB-CD2 4.04Å; E677-Y680 HydrophobicContact CB-CE2 3.71Å; E677-Y680 HydrophobicContact CG-CD2 3.72Å; E677-Y680 HydrophobicContact CG-CE2 3.67Å; E677-Y680 WeakPolarHBondContact O-CB 3.45Å; E677-Y680 PolarHBondContact O-N 2.84Å; Y680-R682 PolarHBondContact O-N 3.41Å; Y680-R682 VanDerWaalsContact O-N 3.15Å; Y680-I683 HydrophobicContact CD1-CD1 3.88Å; Y680-I683 HydrophobicContact CG-CD1 4.26Å; Y680-I683 VanDerWaalsContact O-CB 3.27Å; Y680-I683 WeakPolarHBondContact O-CB 3.47Å; Y680-I683 PolarHBondContact O-N 3.04Å
681E75.4Confident69.6Low179 Ų17982.9 Ų82.984%0.83645%0.451SS*.G310 helixtrans-59.9-20.2170.9-59.5-174.2166.600113.5M679 I683M679-E681 PolarHBondContact O-N 2.71Å; E681-I683 VanDerWaalsContact C-N 3.3Å
682R78.7Confident67.4Low31 Ų3185.6 Ų85.612%0.11746%0.463CS..G310 helixtrans-87.72.1175.4-55.4-172.7-62.3-172.23.7112.8L653 G660 V661 M679 Y680L653-R682 VanDerWaalsContact CB-NH2 3.27Å; L653-R682 PolarHBondContact O-NH1 3Å; G660-R682 CarbonylContact C-O 3.49Å; G660-R682 WeakPolarHBondContact CA-O 3.33Å; V661-R682 PolarHBondContact N-O 2.97Å; M679-R682 WeakPolarHBondContact O-CB 3.45Å; M679-R682 PolarHBondContact O-N 2.67Å; M679-R682 VanDerWaalsContact O-N 3.13Å; M679-R682 PolarHBondContact SD-NE 2.71Å; M679-R682 VanDerWaalsContact SD-NE 3.37Å; M679-R682 PolarHBondContact SD-NH2 2.87Å; Y680-R682 PolarHBondContact O-N 3.41Å; Y680-R682 VanDerWaalsContact O-N 3.15Å
683I83.5Confident65.3Low8 Ų890.7 Ų90.74%0.04149%0.493CS..BIsolated β-bridgetrans-85.9124.1168.2-57.6172.2000107.8V661 G666 V669 K670 L675 Y680 E681 T685V661-I683 HydrophobicContact CB-CB 4.44Å; V661-I683 HydrophobicContact CB-CG1 4.02Å; V661-I683 HydrophobicContact CG1-CG1 4.5Å; V661-I683 HydrophobicContact CG2-CG1 4.25Å; G666-I683 VanDerWaalsContact CA-CG2 3.41Å; V669-I683 HydrophobicContact CG1-CD1 4.35Å; K670-I683 HydrophobicContact CD-CD1 4.26Å; K670-I683 HydrophobicContact CG-CD1 3.66Å; L675-I683 HydrophobicContact CD2-CD1 4.45Å; L675-I683 HydrophobicContact CD2-CG1 4.45Å; Y680-I683 HydrophobicContact CD1-CD1 3.88Å; Y680-I683 HydrophobicContact CG-CD1 4.26Å; Y680-I683 VanDerWaalsContact O-CB 3.27Å; Y680-I683 WeakPolarHBondContact O-CB 3.47Å; Y680-I683 PolarHBondContact O-N 3.04Å; E681-I683 VanDerWaalsContact C-N 3.3Å; I683-T685 PolarHBondContact O-N 2.88Å; I683-T685 VanDerWaalsContact O-N 3.1Å; I683-T685 PolarHBondContact O-OG1 3.3Å
684L79.8Confident63.4Low27 Ų2792.7 Ų92.714%0.14150%0.498CS..  trans-80.995.8-173-65.2164000110.5I630 R632 V661 P663 G686 V688I630-L684 HydrophobicContact CB-CD1 3.73Å; I630-L684 HydrophobicContact CD1-CD1 4.09Å; I630-L684 HydrophobicContact CG1-CD1 4.11Å; I630-L684 HydrophobicContact CG2-CD1 4.5Å; R632-L684 HydrophobicContact CG-CD2 4.31Å; V661-L684 WeakPolarHBondContact O-CB 3.44Å; V661-L684 PolarHBondContact O-N 3.14Å; P663-L684 WeakPolarHBondContact CA-O 3.37Å; P663-L684 VanDerWaalsContact CB-O 3.23Å; P663-L684 WeakPolarHBondContact CB-O 3.16Å; L684-G686 PolarHBondContact O-N 3.43Å; L684-V688 HydrophobicContact CD1-CG2 3.95Å; L684-V688 HydrophobicContact CD2-CG2 4.5Å
685T64.8Low61.6Low133 Ų13399.2 Ų99.282%0.81652%0.52SS*.  trans-73.511-173.2-33.30000115.1I683I683-T685 PolarHBondContact O-N 2.88Å; I683-T685 VanDerWaalsContact O-N 3.1Å; I683-T685 PolarHBondContact O-OG1 3.3Å
686G60.8Low59.2Low32 Ų32111 Ų11133%0.3357%0.565SS.*SBendtrans-163.4174.8-176.600000113.8L684 V688L684-G686 PolarHBondContact O-N 3.43Å; G686-V688 PolarHBondContact O-N 2.91Å
687P52.1Low57.1Low124 Ų124111.7 Ų111.781%0.80558%0.583SS**  trans-62.7124174.127.3-33.4000109.7V689P687-V689 PolarHBondContact O-N 3.35Å
688V53.6Low55.5Low50 Ų50116.3 Ų116.330%0.30359%0.594SS.*  trans-6997.2-178.2-176.20000109.4I630 A635 L684 G686I630-V688 HydrophobicContact CD1-CG2 4.44Å; A635-V688 HydrophobicContact CB-CG1 4.14Å; L684-V688 HydrophobicContact CD1-CG2 3.95Å; L684-V688 HydrophobicContact CD2-CG2 4.5Å; G686-V688 PolarHBondContact O-N 2.91Å
689V43.6Very low53.4Low131 Ų131123.5 Ų123.579%0.79461%0.607SS**PPolyproline II helixtrans-64.8133168.7-179.30000108P687P687-V689 PolarHBondContact O-N 3.35Å
690R45.6Very low51.8Low192 Ų192126.8 Ų126.873%0.72563%0.631SS**PPolyproline II helixtrans-76.6124179.8-178.3178.7-178.5139.2-3.3109.6E692R690-E692 PolarHBondContact O-N 2.83Å
691E36.2Very low49.4Very low146 Ų146134.2 Ų134.268%0.68267%0.665SS**PPolyproline II helixtrans-64.1126.9172.9-165.4169.8-172.400110.1V693E691-V693 PolarHBondContact O-N 3.03Å
692E31.8Very low47.5Very low186 Ų186131.3 Ų131.387%0.86966%0.664SS**  trans-81.589.2-170.1-69.8-158.2154.600112.5R690 S694R690-E692 PolarHBondContact O-N 2.83Å; E692-S694 VanDerWaalsContact C-N 3.28Å; E692-S694 PolarHBondContact O-N 3.05Å
693V32Very low45.2Very low127 Ų127133.7 Ų133.777%0.7770%0.698SS**  trans-67.591.7159.9-179.20000108.7E691 R695E691-V693 PolarHBondContact O-N 3.03Å; V693-R695 PolarHBondContact O-N 3.21Å
694S36.9Very low42.9Very low101 Ų101141.2 Ų141.271%0.70674%0.737SS**  trans-60119.4178.8-174.90000111.6E692E692-S694 VanDerWaalsContact C-N 3.28Å; E692-S694 PolarHBondContact O-N 3.05Å
695R43.5Very low40.4Very low214 Ų214144.5 Ų144.581%0.80877%0.768SS**  trans-120.1108.7160.3-71.8-167174.8-144.2-1.9108.2V693V693-R695 PolarHBondContact O-N 3.21Å
696R30.7Very low38.9Very low248 Ų248147 Ų14794%0.93677%0.767SS**  trans-58.5137.1172.4-71.2-177171.3-161.7-0.5109
697G36.3Very low37.6Very low75 Ų75149.8 Ų149.877%0.77379%0.787SS**  trans172.9-20.9-178.300000115.6
698R42.7Very low36.6Very low246 Ų246150 Ų15093%0.92879%0.787SS**SBendtrans-132.6135.5164.5-68.7-173.6-179.7-112.4-1.5109.7
699R34.5Very low35.6Very low248 Ų248151.1 Ų151.194%0.93680%0.801SS**  trans-81.9129.5179.5-168.8174.1-175.3166.71.7109.9
700P42.2Very low35.2Very low113 Ų113149.7 Ų149.773%0.73480%0.803SS**  trans-90.7149.4-172.534.5-35.8000114
701K33.4Very low34.7Very low208 Ų208145.4 Ų145.490%0.90481%0.808SS**  trans-153.2139.3155.1-77.8-176.9177176.90107.6
702S35.2Very low34.4Very low117 Ų117143 Ų14382%0.81881%0.813SS**  cis-168.5123.9-29.241.20000106.6
703G30.5Very low34.4Very low81 Ų81138.7 Ų138.784%0.83581%0.809SS**  trans-138.115.3-163.400000117.5
704I34Very low34.5Very low167 Ų167136.8 Ų136.886%0.85681%0.807SS**  trans-124104.6179-60.2178.4000109.4
705A28.7Very low34.2Very low96 Ų96137.8 Ų137.879%0.79381%0.814SS**  trans-15533173.800000113.9
706K33.2Very low33.3Very low184 Ų184132.2 Ų132.280%0.881%0.814SS**  trans-150.357165.9-154.6155.9-171.7167.60115.1
707A32.8Very low33.2Very low91 Ų91126.2 Ų126.275%0.75281%0.805SS**SBendtrans-118.914.2166.300000112.8
708T31.6Very low32.9Very low130 Ų130127.6 Ų127.680%0.79880%0.803SS**SBendtrans-128.830.1-172.742.90000112.5
709A33.1Very low32.1Very low72 Ų72123 Ų12360%0.59580%0.802SS**SBendtrans-135.726.9-178.600000113.2
710A35.2Very low32.2Very low101 Ų101116.5 Ų116.584%0.83580%0.795SS**SBendtrans-131.10.4-179.800000114
711A33.7Very low31.8Very low102 Ų102114.6 Ų114.684%0.84380%0.795SS**SBendtrans-124.67.3-176.900000113.8
712A30.2Very low31.7Very low96 Ų96112.6 Ų112.679%0.79379%0.794SS**SBendtrans-131.323.3-173.200000113.5
713A32.3Very low32.6Very low95 Ų95112.2 Ų112.279%0.78579%0.789SS**SBendtrans-131.214.3177.300000112.9
714A34.4Very low32.8Very low88 Ų88115.8 Ų115.873%0.72779%0.788SS**SBendtrans-128.625-17700000113
715S30.1Very low32.9Very low122 Ų122115.5 Ų115.585%0.85379%0.787SS**SBendtrans-149.556.7171.2-70.30000110.4
716A24.9Very low33Very low97 Ų97114.7 Ų114.780%0.80278%0.781SS**  trans-143.845.4176.300000110.4
717T28.8Very low33Very low122 Ų122114 Ų11475%0.74879%0.786SS**  trans-92.6112.2-172.9-39.10000110.5
718S29.2Very low32.9Very low103 Ų103113.4 Ų113.472%0.7279%0.788SS**  trans42.5108.3156.662.50000119.6
719V26.3Very low33Very low150 Ų150115.8 Ų115.891%0.90980%0.795SS**  trans-130.8138138.4178.20000108.1
720S35.8Very low33.2Very low112 Ų112119.9 Ų119.978%0.78381%0.807SS**  trans-109.1139.1-177.553.50000111.8
721G35.3Very low33.6Very low72 Ų72121 Ų12174%0.74281%0.805SS**SBendtrans86.3151.3160.900000116.4
722N31.3Very low33.7Very low166 Ų166119.6 Ų119.689%0.88880%0.8SS**SBendtrans-74.6162.3172.7-50.5-31.5000110.2
723P52.7Low34.2Very low109 Ų109121.1 Ų121.171%0.70880%0.8SS**  -128.9-168.5-67.137.7-21.9000111.5
724L35.5Very low34.5Very low157 Ų157122.5 Ų122.582%0.82279%0.794SS**  trans81.3137.4160.1-73.1166.7000121.5
725L35.3Very low35.3Very low160 Ų160124.6 Ų124.684%0.83879%0.792SS**  trans75.2110.9152.9-65.9175.5000123.9
726A30.5Very low36.5Very low80 Ų80123.7 Ų123.766%0.66178%0.782SS**  90.1121.4118.900000124.2
727N33.9Very low37.7Very low169 Ų169124.3 Ų124.390%0.90478%0.776SS**  trans64.8140.1141-59.4-12.5000122.1
728G30Very low38.8Very low78 Ų78124.6 Ų124.680%0.80477%0.772SS**  trans-176.5-6.3174.200000125.1
729L34.3Very low39.9Very low180 Ų180126.7 Ų126.794%0.94277%0.771SS**  trans70.4172.7171.5-70.9166.9000120.6
730L37.3Very low41.2Very low159 Ų159123 Ų12383%0.83276%0.756SS**  trans-100.5-175.6-163.9-73.2171.1000112.3
731P43.1Very low41.9Very low124 Ų124123.6 Ų123.681%0.80575%0.749SS**  cis-139.5-175.414.443.2-23.4000117.4
732G35.9Very low42.7Very low72 Ų72127.2 Ų127.274%0.74275%0.747SS**  trans176.5-10.5172.400000122.5
733V41.1Very low43.7Very low129 Ų129127 Ų12778%0.78274%0.741SS**  trans30117.2161.1-171.50000120
734D39.5Very low43.4Very low124 Ų124128.8 Ų128.866%0.66374%0.744SS**  -145.2149.3104.7-16421000111.8
735L50.8Low44Very low131 Ų131128 Ų12869%0.68674%0.74SS**  trans-110.2-12.1-154.3-171.457.9000114.1
736T54.3Low44.7Very low103 Ų103128.4 Ų128.463%0.63274%0.738SS**Hα-helixtrans-73.9-27.4-17153.90000114.6
737T51.7Low45.2Very low110 Ų110131.8 Ų131.868%0.67575%0.745SS**Hα-helixtrans-83.5-25.4-174.951.80000114.1
738L50.2Low45.5Very low129 Ų129132 Ų13268%0.67575%0.745SS**Hα-helixtrans-71.6-39.5-176.5-154.286.3000112.1A740 L741L738-A740 VanDerWaalsContact C-N 3.3Å; L738-A740 PolarHBondContact O-N 2.86Å; L738-L741 PolarHBondContact O-N 3.3Å
739Q54.2Low45.9Very low147 Ų147136.9 Ų136.969%0.68775%0.747SS**Hα-helixtrans-60.6-36.7-174.7-166.870.8800112.9L741Q739-L741 VanDerWaalsContact C-N 3.33Å; Q739-L741 PolarHBondContact O-N 3Å
740A52.8Low46Very low72 Ų72134 Ų13460%0.59574%0.742SS**Hα-helixtrans-71.8-25.2-178.800000113.4L738L738-A740 VanDerWaalsContact C-N 3.3Å; L738-A740 PolarHBondContact O-N 2.86Å
741L49.8Very low45.7Very low124 Ų124134.4 Ų134.465%0.64974%0.744SS**Hα-helixtrans-78.8-24.4-174.7-160.3140.7000112.3L738 Q739L738-L741 PolarHBondContact O-N 3.3Å; Q739-L741 VanDerWaalsContact C-N 3.33Å; Q739-L741 PolarHBondContact O-N 3Å
742Q52.8Low45.3Very low148 Ų148137.3 Ų137.369%0.69275%0.746SS**THydrogen-bonded Turntrans-76.6-22.4-177.5-171.4159.7-2800114.1
743Q52.2Low45.3Very low163 Ų163139.9 Ų139.976%0.76275%0.748SS**THydrogen-bonded Turntrans-81.6-15.5-177.4-72.2-173.5-27.100114.6
744N46.8Very low44.7Very low146 Ų146139.9 Ų139.978%0.78175%0.748SS**SBendtrans-85.1-20.9-174.9-147.7-85.5000113.7
745L47.9Very low44.2Very low141 Ų141138.8 Ų138.874%0.73876%0.756SS**THydrogen-bonded Turntrans-90.93.5-165.2-83.5163.8000116
746Q48.8Very low43.1Very low168 Ų168136 Ų13679%0.78576%0.759SS**THydrogen-bonded Turntrans-91.9-4.8-173-71.6-177.5-29.500115.5
747N41.8Very low41.8Very low151 Ų151138.9 Ų138.981%0.80777%0.769SS**SBendtrans-119.928.1-166.9-153.17.8000115.5
748L39.4Very low40.9Very low172 Ų172142.5 Ų142.590%0.90178%0.781SS**  trans-140.371.2170.6-76.8179.6000111.8
749Q39.9Very low39.8Very low182 Ų182139.9 Ų139.985%0.8579%0.785SS**  trans-115160.7160.8-68.6-171.1-9.200110.3
750S35.7Very low38.7Very low119 Ų119141.5 Ų141.583%0.83280%0.795SS**  trans56.279.5-179.157.50000116.7
751L31.7Very low38.6Very low168 Ų168142.8 Ų142.888%0.8880%0.797SS**  trans-111.699.9144.1-131.8171.1000106.8
752Q33.7Very low37.6Very low184 Ų184143.6 Ų143.686%0.8681%0.808SS**  trans-124.4160.1171.9-74.4-165.4-9.400109.8
753V35.7Very low36.5Very low127 Ų127140.2 Ų140.277%0.7781%0.812SS**  trans-128.1150.6-165.3-177.40000108.8
754T29.6Very low35.4Very low129 Ų129140.7 Ų140.779%0.79182%0.819SS**  trans124.5128.7152.9-52.30000113.9
755A28.8Very low35.3Very low100 Ų100139.2 Ų139.283%0.82682%0.818SS**  trans22.9136.4158.300000122.2
756G27Very low34.4Very low72 Ų72138.4 Ų138.474%0.74282%0.824SS**  128.5124.6128.400000117.5
757L27.4Very low33.5Very low164 Ų164133.7 Ų133.786%0.85982%0.82SS**  trans60.3127.4142.5-12474.5000121.3
758M32.2Very low33Very low186 Ų186130.3 Ų130.392%0.91682%0.821SS**  trans71.9136.6139-142.7169.8-168.500120.1
759G27.8Very low32.7Very low74 Ų74131.7 Ų131.776%0.76382%0.823SS**  trans11592.7151.600000118.5
760M31Very low32.3Very low182 Ų182126.9 Ų126.990%0.89781%0.814SS**  trans-83175.8142.6-67.3-80.3-79.300108.1
761P51.8Low32.3Very low98 Ų98131.1 Ų131.164%0.63682%0.817SS**  cis-140.6-149.2939.4-16000113.9
762T28.5Very low32.6Very low142 Ų142131 Ų13187%0.87182%0.817SS**  trans83138.1169.375.10000117.3
763G28.1Very low32.5Very low77 Ų77131.4 Ų131.479%0.79482%0.822SS**  cis-171148-6.700000114.7
764L30.8Very low32.2Very low173 Ų173130.2 Ų130.291%0.90683%0.825SS**  trans-77.8175.6163.5-77.7169.4000109.8
765P44.2Very low32.4Very low115 Ų115128.5 Ų128.575%0.74782%0.824SS**  cis-149.2-166.923.444-22.6000118
766S29.6Very low32.7Very low124 Ų124132.4 Ų132.487%0.86783%0.828SS**  trans83138.8152.4-149.10000119
767G29Very low32.9Very low69 Ų69139.1 Ų139.171%0.71184%0.837SS**  cis165.5149.3-8.900000114.4
768G31.1Very low33.7Very low79 Ų79137 Ų13781%0.81483%0.833SS**  trans73.1156.9172.500000116.5
769E32.3Very low33.7Very low202 Ų202137.4 Ų137.494%0.94484%0.835SS**  cis-155.7173.1-17.7-144.8177.9-141.400110.3
770A33.2Very low34.3Very low81 Ų81142 Ų14267%0.66984%0.841SS**  trans-71.8149.7-158.200000118
771K35.7Very low34.7Very low207 Ų207139.9 Ų139.990%0.983%0.833SS**  -169.6153.5121-96141.1-163.3163.80112.9
772N36.5Very low33.7Very low165 Ų165141 Ų14188%0.88284%0.843SS**  trans-78.1135.9-167.2-65.9-44.4000114.4
773M33Very low33.8Very low193 Ų193137.1 Ų137.195%0.95183%0.831SS**  trans-154.1100148.1-164.6174.4-64.900109.5
774A29Very low34.1Very low102 Ų102142 Ų14284%0.84384%0.836SS**  trans-135104.9-176.200000110.9
775A34.3Very low34.2Very low93 Ų93138.5 Ų138.577%0.76983%0.832SS**  trans-159.1146.7169.400000111.4
776M35Very low33.5Very low182 Ų182136.6 Ų136.690%0.89783%0.833SS**  trans63.379.4161.5-52.5-155.7-64.700119.1
777F29.5Very low34.1Very low213 Ų213138.7 Ų138.793%0.93483%0.833SS**  trans-107.3123.9143.4-95.7-76.4000109.4
778P44.6Very low34.4Very low121 Ų121141.3 Ų141.379%0.78684%0.838SS**  trans-82.4157.8174.732.6-34000112.9
779M33.3Very low34.5Very low193 Ų193144.4 Ų144.495%0.95184%0.836SS**  trans-65.2154.9-174-70.5170.614700115.3L781M779-L781 PolarHBondContact O-N 3.38Å
780L39.4Very low34.8Very low171 Ų171141.8 Ų141.890%0.89583%0.828SS**  trans-79.2110.8169-87.6168.6000112.7
781L39.3Very low34.8Very low137 Ų137146 Ų14672%0.71784%0.838SS**  49.698.9128-166.367.5000118.6M779M779-L781 PolarHBondContact O-N 3.38Å
782S32.2Very low34.4Very low121 Ų121140.2 Ų140.285%0.84684%0.837SS**  trans-58151.2158.4172.90000113.5
783G30.6Very low34.1Very low61 Ų61141.5 Ų141.563%0.62984%0.84SS**  trans147.6141.9144.200000117.8
784M33.7Very low33.9Very low181 Ų181135.8 Ų135.889%0.89283%0.83SS**  trans72.4125.9171.8-56.9176.459.900114.7
785A33.3Very low33.9Very low99 Ų99134.5 Ų134.582%0.81883%0.827SS**  cis65.58921.100000114.9
786G29.1Very low33.6Very low75 Ų75137.8 Ų137.877%0.77383%0.83SS**  trans-179.1114.6172.500000113.6
787L41.3Very low33.2Very low167 Ų167136 Ų13687%0.87482%0.824SS**  trans-69.8157.8171.5-63.5168.1000112
788P37Very low33.1Very low125 Ų125130.6 Ų130.681%0.81281%0.808SS**  trans-121.7167.1137.536.5-29000112.9
789N32.8Very low32.1Very low144 Ų144132 Ų13277%0.7780%0.802SS**  trans-110.1164.7-171.4-86.2-30.2000113.6
790L38.1Very low32Very low147 Ų147124.3 Ų124.377%0.7777%0.767SS**  trans82.3123.9145.3-11378.9000121
791L33.5Very low31.3Very low169 Ų169120 Ų12089%0.88575%0.748SS**  trans39.3119.8136.9-97.963.7000120.4
792G26.7Very low30.6Very low85 Ų85121.1 Ų121.188%0.87675%0.749SS**  trans-155.6134.3161.700000110.6
793M30.9Very low30.1Very low193 Ų193121 Ų12195%0.95175%0.748SS**  trans-110.3139.8-160.5-173.4141.96000113.9
794G29.3Very low29.8Very low72 Ų72121.1 Ų121.174%0.74275%0.75SS**  trans104.3115.4136.800000120.8
795G27.8Very low29.3Very low75 Ų75118.3 Ų118.377%0.77374%0.743SS**  trans74.3168.9151.600000118.5
796L28.1Very low28.8Very low162 Ų162121.4 Ų121.485%0.84874%0.741SS**  cis-165.4153.1-15-111.4175.2000109.3
797L27.7Very low28.7Very low145 Ų145123.1 Ų123.176%0.75973%0.732SS**  trans72.7152.1160.4-111.668.4000122.2
798T25.4Very low28.1Very low99 Ų99122.7 Ų122.761%0.60772%0.723SS**  trans58.4104.6156.756.80000122.6L126L126-T798 HydrophobicContact CD1-CG2 3.81Å; L126-T798 HydrophobicContact CG-CG2 4.05Å
799K25.4Very low27.5Very low150 Ų150126.8 Ų126.865%0.65273%0.728SS**  trans-92.9156.8146.2-161.5-133.5175-1570107.7L126 T801L126-K799 WeakPolarHBondContact CD2-O 3.34Å; L126-K799 WeakPolarHBondContact CG-O 3.49Å; K799-T801 PolarHBondContact NZ-OG1 3.01Å
800P31.2Very low27.1Very low32 Ų32123.1 Ų123.121%0.20872%0.724CS.*  -133.1-174.774.55.223000113.4D125 L126 V127D125-P800 WeakPolarHBondContact O-CD 3.43Å; D125-P800 WeakPolarHBondContact O-CG 3.49Å; L126-P800 VanDerWaalsContact CA-CG 3.43Å; V127-P800 VanDerWaalsContact N-CG 3.3Å
801T23.7Very low26.4Very low81 Ų81121.6 Ų121.650%0.49773%0.726SS.*  61.2145.854.7-2.90000112.3K799K799-T801 PolarHBondContact NZ-OG1 3.01Å
802E24.3Very low25.9Very low160 Ų160120.1 Ų120.175%0.74872%0.719SS**  cis-158.4169.518.5-167.6146.6-10200114.2
803S22.2Very low25.9Very low118 Ų118120.5 Ų120.583%0.82571%0.708SS**  trans65.3156.1172.471.30000115.2
804G23.4Very low25.7Very low64 Ų64119.8 Ų119.866%0.6670%0.7SS**  cis120.8145.518.700000108
805T24.7Very low25.3Very low123 Ų123123.3 Ų123.376%0.75570%0.697SS**  cis-151.3173.37.133.80000108.9
806E22.9Very low25.3Very low164 Ų164125.1 Ų125.177%0.76670%0.698SS**  trans34.5133.5143.5-62.5177.3153.100119.3
807D25.4Very low25Very low110 Ų110126.7 Ų126.759%0.58870%0.701SS**  -163.8164.566.2-140.5-2.9000118.3
808K29.1Very low24.9Very low159 Ų159123 Ų12369%0.69170%0.698SS**  trans7.9139.7154.3-66.1156.2-164.181.30117.7
809K25Very low25.1Very low210 Ų210127.7 Ų127.791%0.91371%0.71SS**  176.915650.6-156.9172.7177.9178.60111.9
810G25Very low25.3Very low67 Ų67125.1 Ų125.169%0.69171%0.707SS**  trans116.4110.7169.500000112.5
811S22.4Very low24.9Very low116 Ų116129.9 Ų129.981%0.81173%0.726SS**  cis73.5121.640.3-136.20000111.6
812D23.5Very low25.1Very low138 Ų138134.8 Ų134.874%0.73874%0.736SS**  cis-162.1159.12.7-149.7-13.3000115
813S26.9Very low25.3Very low93 Ų93132.9 Ų132.965%0.6574%0.735SS**  trans74.3139.8142.579.10000123.8
814K25.8Very low25.4Very low178 Ų178135.7 Ų135.777%0.77474%0.735SS**  trans81.1148.2153.2-66.3-156167.9-146.90122.8
815E22.1Very low25.6Very low146 Ų146137.7 Ų137.768%0.68274%0.739SS**  cis163.2115.1-34.3163.2179.3-119.400110.5
816S27.7Very low25.7Very low113 Ų113139.7 Ų139.779%0.7974%0.74SS**  trans-173120.3151.3460000108.3
817E22Very low25.7Very low194 Ų194136.9 Ų136.991%0.90774%0.739SS**  76.1118.461.6-80.6-105.99900114.5
818G25.8Very low25.8Very low68 Ų68136.1 Ų136.170%0.70174%0.742SS**  trans142.374.3178.400000114.6
819K28.9Very low25.5Very low197 Ų197136.5 Ų136.586%0.85775%0.746SS**  57.1133.396.3-101.9-166.8169.3179.10115.8
820T29.7Very low25.5Very low97 Ų97134 Ų13460%0.59574%0.743SS**  cis-165.8155.25.5-19.90000110.8
821E23.5Very low25.5Very low132 Ų132134.3 Ų134.362%0.61775%0.745SS**  trans44.5152.1147.1-78.9171.5144.800121.5
822R27.9Very low25.7Very low183 Ų183132.4 Ų132.469%0.69175%0.745SS**  cis-151.4141.418.9-124.3165.7-157.877.521.7107.1
823T27.8Very low26Very low120 Ų120133.7 Ų133.774%0.73675%0.746SS**  46133.6795.30000113.9
824E24Very low26Very low177 Ų177135.5 Ų135.583%0.82775%0.748SS**  cis-141.9-179.128.6-65.4-179.592.600115.1
825S28.5Very low26.2Very low107 Ų107131.6 Ų131.675%0.74874%0.743SS**  trans-140148.1176.956.10000113.1
826Q26.3Very low26.5Very low165 Ų165130.8 Ų130.877%0.77175%0.748SS**  trans-175.1136166.3-99.4143.383.600105.9
827S23.3Very low26.5Very low105 Ų105130.3 Ų130.373%0.73475%0.745SS**  65.5140.150.182.50000112.9
828S25.7Very low26.6Very low93 Ų93126.4 Ų126.465%0.6574%0.739SS**  cis-162.7144.315.248.50000113.4
829E23.6Very low26.7Very low167 Ų167128.6 Ų128.678%0.7874%0.743SS**  trans48.1153.3133.1-56.1-174120.400125.3
830N24.3Very low27.5Very low159 Ų159125.3 Ų125.385%0.8574%0.742SS**  trans74.4139.8161.1-60.5-49.8000119.2
831G25.5Very low27.5Very low72 Ų72125.7 Ų125.774%0.74275%0.749SS**  cis165.6155.9-9.400000114.5
832G27.1Very low28Very low77 Ų77126.3 Ų126.379%0.79476%0.762SS**  trans85.9152.8170.100000116.6
833E29.2Very low28Very low165 Ų165123 Ų12377%0.77177%0.767SS**  cis-164.5152.8-8.455.9174.610200113
834N27.7Very low28.2Very low131 Ų131122.6 Ų122.670%0.70177%0.769SS**  trans62.8145154-69-42.2000120.2
835S30.3Very low28.4Very low95 Ų95121.2 Ų121.266%0.66477%0.773SS**  cis-173.5173.6-15.8-107.90000106.9
836V27.5Very low28.4Very low129 Ų129120.8 Ų120.878%0.78278%0.776SS**  cis-154.4171.614.6-125.40000111.8
837S27.1Very low28.6Very low103 Ų103117.1 Ų117.172%0.7277%0.774SS**  trans-9.6153.8156.468.20000121.8
838S25Very low28.7Very low112 Ų112120.7 Ų120.778%0.78378%0.783SS**  -171.8171.153.154.10000115.7
839S28Very low29Very low114 Ų114123.8 Ų123.880%0.79779%0.793SS**  trans-146.2163.2172.6-47.80000110.9
840P46.3Very low29.2Very low128 Ų128122.2 Ų122.283%0.83180%0.795SS**  trans-131.1178.7147.337.4-25.6000113.2
841S28.9Very low29.4Very low106 Ų106119 Ų11974%0.74179%0.79SS**  trans-148-168.8-173.1-53.10000112.3
842T33Very low29.5Very low145 Ų145120.2 Ų120.289%0.8979%0.793SS**  trans82152.7-178.479.60000114.7
843S28.4Very low29.6Very low113 Ų113121.4 Ų121.479%0.7980%0.796SS**  cis-144.5170.310.360.20000113.1
844S32.1Very low29.5Very low112 Ų112118.1 Ų118.178%0.78380%0.797SS**  trans-121.3153.7-173.7-44.30000113.2
845T28.8Very low29.6Very low148 Ų148119.5 Ų119.591%0.90880%0.804SS**  trans164.7156154.825.90000109.3
846A27.8Very low29.9Very low98 Ų98120.5 Ų120.581%0.8181%0.808SS**  cis-151.6172.3-12.900000108.8
847A30.2Very low29.9Very low88 Ų88122.2 Ų122.273%0.72781%0.813SS**  trans-111.9159.5-177.600000113.7
848L26.8Very low30.1Very low179 Ų179122.1 Ų122.194%0.93782%0.818SS**  trans-139141.9161-77.7-179.8000110.6
849N31.2Very low30.5Very low158 Ų158124.8 Ų124.885%0.84582%0.823SS**  trans-129.2134.2-175.5-92.7-27.8000111.5
850T28.4Very low30.6Very low134 Ų134125.7 Ų125.782%0.82282%0.818SS**  trans-159.5106.8158.7-31.60000106.3
851A28.3Very low30.1Very low92 Ų92125.6 Ų125.676%0.7682%0.818SS**  58.212774.700000113.2
852A28.3Very low30.4Very low97 Ų97127.1 Ų127.180%0.80282%0.817SS**  cis-165.1177.9-500000112.4
853A27.6Very low30.6Very low102 Ų102128.2 Ų128.284%0.84382%0.817SS**  trans91.2146.5152.200000122.1
854A28.6Very low31Very low97 Ų97131.5 Ų131.580%0.80282%0.824SS**  trans73101.9159.700000121.3
855N28.3Very low30.8Very low159 Ų159131.2 Ų131.285%0.8582%0.822SS**  trans-61.8150.8144.9-96-28.3000110.2
856P36.7Very low30.8Very low116 Ų116131.5 Ų131.575%0.75382%0.818SS**  -147.9142.8100.337.3-21.3000117.2
857L28.8Very low31.1Very low166 Ų166133.8 Ų133.887%0.86982%0.815SS**  trans35.1135.3141.1-65.2170.1000122.1
858A30.7Very low31.1Very low101 Ų101137.2 Ų137.284%0.83582%0.821SS**  trans-60.3146.4175.700000115
859L33.8Very low31.3Very low168 Ų168139.6 Ų139.688%0.8882%0.819SS**  trans-117.1143.4165-71.8175.1000110.8
860N28.8Very low31.5Very low132 Ų132138.3 Ų138.371%0.70682%0.819SS**  trans-84.4121.3-174.2-175-9.4000110.8L862N860-L862 PolarHBondContact O-N 3.36Å
861P36.3Very low31.4Very low126 Ų126135 Ų13582%0.81881%0.812SS**SBendtrans-80.750.5-170.634.4-38000113.9
862L36.3Very low31.6Very low138 Ų138139.5 Ų139.572%0.72382%0.82SS**  trans-124126168.1-67.7175.9000109N860N860-L862 PolarHBondContact O-N 3.36Å
863L35.6Very low31.8Very low169 Ų169143.5 Ų143.589%0.88583%0.826SS**SBendtrans96.648.1-178-54.4171.6000118.3
864L37.6Very low32.1Very low182 Ų182146.6 Ų146.695%0.95383%0.828SS**  trans-133.7107.7143.2-81.7-176.9000111
865S27.6Very low32.1Very low106 Ų106148.6 Ų148.674%0.74183%0.83SS**  trans-133.384.1175.562.60000110.6
866N29.7Very low32.4Very low153 Ų153147.3 Ų147.382%0.81883%0.83SS**  trans-177.9136.9145.2-98.3-20.7000113.4
867I33.2Very low32Very low146 Ų146145.5 Ų145.575%0.74983%0.833SS**  trans61.192.8149.2-50.7160.1000116.9
868L30.4Very low32Very low161 Ų161145.1 Ų145.184%0.84383%0.831SS**  -159.3142.5112.1-140.863.8000111.6
869Y30.3Very low31.9Very low228 Ų228147 Ų14789%0.89483%0.827SS**  trans-110.4128.6170.3-104.9-97.8000108.4
870P35.5Very low31.6Very low131 Ų131146.1 Ų146.185%0.85182%0.823SS**  trans-101.8107.3164.433.4-24.8000110.3
871G27.6Very low31.4Very low66 Ų66147.6 Ų147.668%0.6883%0.825SS**  trans168.7127.3174.700000113.4
872M31.6Very low31.1Very low186 Ų186148 Ų14892%0.91682%0.819SS**  trans61.880.5174.3-56.9-17571.600117
873L31.9Very low31.5Very low180 Ų180146.2 Ų146.294%0.94282%0.816SS**  trans-126.9130.5138.3-77.6179.6000109.1
874L33.8Very low31Very low168 Ų168144.6 Ų144.688%0.8881%0.813SS**PPolyproline II helixtrans-90.8138.9172.3-73.5158.4000109.2
875T29.6Very low30.6Very low139 Ų139143.5 Ų143.585%0.85381%0.807SS**PPolyproline II helixtrans-92.8129.4167.735.70000110.5
876P34.5Very low30.4Very low131 Ų131143.7 Ų143.785%0.85181%0.808SS**PPolyproline II helixtrans-87.3149.6175.334.3-33.7000112.1
877G29Very low30.3Very low79 Ų79145.4 Ų145.481%0.81481%0.811SS**  trans-164.2128.4173.400000111.7
878L29.2Very low30.1Very low158 Ų158142.8 Ų142.883%0.82781%0.806SS**  trans-98.7145.8-174-65.3158.2000111.4
879N27.3Very low29.9Very low140 Ų140142.3 Ų142.375%0.74980%0.804SS**  173148104.6-95.6-60.2000117.1
880L28.2Very low29.6Very low150 Ų150138 Ų13879%0.78580%0.802SS**  trans67.2101.3143.4-66.8169.2000123.7
881H24.2Very low29.2Very low162 Ų162141.2 Ų141.275%0.7580%0.803SS**  -26.4154.2125.6-153-150.7000113.8
882I30Very low29.1Very low134 Ų134144.1 Ų144.169%0.68780%0.803SS**  cis-152.2-159.442.8-25-177.3000111.2
883P44.7Very low28.8Very low102 Ų102142.1 Ų142.166%0.66280%0.801SS**  -132.3-177.5-121.946.6-26.9000118.3
884T24.7Very low28.5Very low134 Ų134141.2 Ų141.282%0.82279%0.792SS**  trans173.6158.7137.626.10000108
885L28.6Very low28Very low160 Ų160140.2 Ų140.284%0.83879%0.788SS**  cis-142.41743.7-164.469.9000109.1
886S25.2Very low27.8Very low109 Ų109141.3 Ų141.376%0.76278%0.78SS**  trans-112.5148.1-174.7-47.40000115.1
887Q27.3Very low27.5Very low189 Ų189141.9 Ų141.988%0.88378%0.776SS**  trans-179.1170.9155.8-104.7169.332.100110.8
888S29Very low27.4Very low91 Ų91143.2 Ų143.264%0.63677%0.773SS**  -164.3138.4-85.752.60000113.6
889N24.8Very low27.1Very low151 Ų151142.9 Ų142.981%0.80777%0.772SS**  trans64.7130.1157.8-56.5-16.9000121.8
890T24.7Very low27.2Very low137 Ų137144.3 Ų144.384%0.8478%0.779SS**  161.7117.4126.643.20000108.1
891F26.5Very low27.1Very low199 Ų199140.4 Ų140.487%0.87378%0.775SS**  84.4143.256.1-118-79.8000116.2
892D25.3Very low27.2Very low127 Ų127138.2 Ų138.268%0.67978%0.778SS**  trans-64.1163.8-163.7-61.8-92.9000118.5
893V26.1Very low27.2Very low145 Ų145136.8 Ų136.888%0.87978%0.78SS**  -157.4134.9108.2141.30000111.4
894Q25.9Very low26.3Very low160 Ų160141.2 Ų141.275%0.74879%0.789SS**  trans-111.6142.1169.5177.5-171.230.200108.5
895N22.4Very low26.4Very low148 Ų148139.1 Ų139.179%0.79178%0.779SS**  trans-148.9154.7154.2-153.32.1000112.8
896K26.2Very low26.6Very low161 Ų161137.5 Ų137.570%0.778%0.776SS**  trans-108.7-168-178.5-69.9-176.9173.9-178.10111.1
897N27.1Very low26.5Very low144 Ų144140.4 Ų140.477%0.7778%0.777SS**  trans98.1138.1163.1-52.7-10.1000113.5
898S27.1Very low26.6Very low106 Ų106136.8 Ų136.874%0.74177%0.768SS**  cis-160.2127.2-3.138.10000107.8
899D24Very low26.7Very low152 Ų152140 Ų14081%0.81377%0.771SS**  90.7158.182.6-153.6-7.2000111.8
900L28.5Very low26.9Very low169 Ų169139.7 Ų139.789%0.88576%0.764SS**  trans68.4150.2-174-53.7161.9000116
901G26.2Very low27.3Very low69 Ų69141.4 Ų141.471%0.71176%0.762SS**  cis174.2114.4-8.400000114.5
902S27.2Very low27.3Very low116 Ų116138.4 Ų138.481%0.81176%0.756SS**  trans26.7144.4156.4-152.50000124.2
903S28.7Very low27.5Very low103 Ų103136.7 Ų136.772%0.7275%0.754SS**  trans76101.114459.10000122.6
904K26.3Very low27.6Very low196 Ų196140.4 Ų140.485%0.85275%0.752SS**  68.5128.4115.4-151.7-168.2176.9-177.30121.1
905S28Very low27.8Very low89 Ų89139.8 Ų139.862%0.62275%0.752SS**  trans75.9104.8149.444.90000122.1
906V32.2Very low28.1Very low126 Ų126139.4 Ų139.476%0.76474%0.744SS**  80.3131.6119.8177.40000119.6
907E24Very low28.3Very low171 Ų171137.5 Ų137.580%0.79974%0.741SS**  trans78.6133.4157.6-87.6-174.4113.700123.6
908V28.8Very low28.9Very low112 Ų112136.3 Ų136.368%0.67973%0.731SS**  trans84.4139.6132.5161.90000121.7
909K30.7Very low29Very low160 Ų160138.4 Ų138.470%0.69673%0.729SS**  trans5.5172.2156-54.5-175.1-175-175.70122.1
910E29.6Very low29.4Very low143 Ų143136.8 Ų136.867%0.66872%0.72SS**  cis-153173.315.8-140.8130.8-164.100107.2
911E33.1Very low29.6Very low173 Ų173137 Ų13781%0.80871%0.714SS**  cis-101.1-177.46-60.9176.1103.400111
912D25.3Very low29.6Very low137 Ų137137.5 Ų137.573%0.73372%0.719SS**  cis85.1150.313.8-158.342.1000119.7
913S30.2Very low29.6Very low91 Ų91135.2 Ų135.264%0.63671%0.714SS**  trans83.1132.5168.387.40000118.4
914R28.1Very low29.5Very low222 Ų222137.5 Ų137.584%0.83872%0.724SS**  cis-167.2166.6-17.9-143.3-179.8-171-1774.6112.6
915I29.9Very low29.6Very low148 Ų148136.7 Ų136.776%0.75972%0.723SS**  trans73.2113.1164.1-55.3159.6000113.9
916K29.2Very low30.3Very low140 Ų140137.9 Ų137.961%0.60973%0.728SS**  cis-157.7-169-6.4-127.7172.5148.2-84.30106.1
917D29.8Very low30.3Very low120 Ų120137.4 Ų137.464%0.64273%0.731SS**  cis-148.1-162.216.6-141.4-54.6000113.5
918Q39.4Very low31.2Very low120 Ų120135.5 Ų135.556%0.56173%0.733SS**  trans-106.1159-164.6-71.6170.8-96.500112.3
919E29.8Very low31.4Very low150 Ų150138.1 Ų138.170%0.70174%0.743SS**  cis-165.5-179-1.2-115.5159.9-16900108.6
920D31.7Very low31.3Very low117 Ų117137.2 Ų137.263%0.62675%0.746SS**  cis-142.4-94.510.1-157.115.5000114.2
921K34.5Very low31.1Very low174 Ų174138.7 Ų138.776%0.75775%0.752SS**  trans-144.4165.1-166.2-25.9-175.1-174179.40111
922G25.9Very low30.9Very low80 Ų80138 Ų13883%0.82575%0.754SS**  cis100.41285.700000113.3
923G27.1Very low31.2Very low68 Ų68136.4 Ų136.470%0.70175%0.754SS**  cis170.1-163.3-1.200000111.7
924T27Very low31.3Very low151 Ų151137.9 Ų137.993%0.92676%0.759SS**  trans104.3147.1170.8-38.60000117.8
925E26.5Very low31.5Very low178 Ų178134.1 Ų134.183%0.83276%0.756SS**  trans-70.8-176.5170.1-89.1-169.1145.400114.2
926P43.7Very low31.7Very low114 Ų114135.1 Ų135.174%0.7476%0.757SS**  cis-130.4-171.7-0.327-2.4000115.2
927S32.9Very low31.8Very low116 Ų116131.8 Ų131.881%0.81176%0.763SS**  trans-56.3148.3172.2-42.30000114.5
928P42.2Very low32.1Very low131 Ų131131 Ų13185%0.85177%0.767SS**  -147.6-151.4100.442.4-26.2000114.4
929L32.3Very low31.8Very low168 Ų168133.9 Ų133.988%0.8878%0.78SS**  trans-97.5153.4-173-78.5158.2000114.5
930N28.6Very low32Very low141 Ų141136.1 Ų136.175%0.75479%0.787SS**  trans85.5158.2144.9-152.434.2000121.3
931E26.3Very low32.3Very low173 Ų173134.8 Ų134.881%0.80879%0.793SS**  trans95.5169.6159.7-50.6-163.9-163.600120.1
932N29Very low32.2Very low159 Ų159134.2 Ų134.285%0.8580%0.798SS**  trans-133.5-171.8-135.9-138.58.3000112.9
933S32Very low32.8Very low104 Ų104134.3 Ų134.373%0.72779%0.791SS**  trans76.8160.1174.9-66.10000116.5
934T31.5Very low33Very low122 Ų122136.3 Ų136.375%0.74879%0.794SS**  cis-164.9162.5-1.317.30000107
935D32.3Very low33.3Very low142 Ų142135.2 Ų135.276%0.75979%0.793SS**  cis-167.8-161.7-22.7-139.3-74.2000109.4
936E34.9Very low33.6Very low170 Ų170129.7 Ų129.779%0.79478%0.784SS**  trans71.4130.3172-54.7-76.5-177.100115.8
937G29.9Very low33.1Very low70 Ų70129.8 Ų129.872%0.72279%0.787SS**  cis164171.30.200000109.5
938S36.3Very low33.1Very low104 Ų104130.9 Ų130.973%0.72778%0.784SS**  cis-169.5172.4-11.7-89.20000110.4
939E33Very low32.7Very low179 Ų179129 Ų12984%0.83677%0.774SS**  trans63.5110.3167-57.9-164.4141.400122.2
940K35.1Very low32.7Very low197 Ų197126.9 Ų126.986%0.85777%0.768SS**  179.514697.7-100.5-173.8179.6178.30116.4
941A37.7Very low32.9Very low90 Ų90125 Ų12574%0.74477%0.766SS**  trans74.794.2153.500000120.7
942D32.3Very low33.3Very low161 Ų161121.8 Ų121.886%0.86176%0.762SS**  trans-18.4165.8141.4-52.8-75.5000120.1
943A37.3Very low33.6Very low82 Ų82119.9 Ų119.968%0.67876%0.761SS**  cis178.4152.1-24.800000110.1
944S33.1Very low33.8Very low111 Ų111119.2 Ų119.278%0.77676%0.757SS**  trans152.6134.8134-71.10000115.3
945S33.2Very low34.1Very low128 Ų128121.9 Ų121.990%0.89576%0.761SS**  trans59.4139.4152.8-53.10000120.7
946G31.2Very low34.3Very low62 Ų62121.5 Ų121.564%0.63976%0.759SS**  cis139.6135.6-9.800000114
947S34.2Very low34.6Very low116 Ų116118.4 Ų118.481%0.81176%0.756SS**  trans65.5157.6170.1780000116.7
948D33.4Very low35.2Very low138 Ų138121.8 Ų121.874%0.73876%0.758SS**  cis-162.8156.9-28.1-118.9-64.6000112.4
949S33.2Very low35.4Very low92 Ų92121.2 Ų121.264%0.64375%0.754SS**  trans48.7139.9140.6-63.90000125.6
950T32.5Very low36Very low123 Ų123117.4 Ų117.476%0.75575%0.747SS**  trans73.5100.9138.948.40000124.6
951S33Very low36.4Very low102 Ų102114.1 Ų114.171%0.71374%0.739SS**  61.5131.1114.971.90000125.5
952S34.4Very low36.9Very low105 Ų105118.3 Ų118.373%0.73474%0.743SS**  trans84.4117.2135.2-64.30000122.9
953S35.8Very low37.8Very low119 Ų119122.2 Ų122.283%0.83276%0.764SS**  trans68.7168.2144.669.50000116.7
954S35.8Very low37.8Very low91 Ų91124.2 Ų124.264%0.63677%0.768SS**  cis-162.1146.618.466.90000114.5
955E38.5Very low38.1Very low177 Ų177124.9 Ų124.983%0.82777%0.767SS**  trans69.1157.4148-17.9-155.69900123.6
956D35.2Very low38.3Very low134 Ų134124.7 Ų124.772%0.71776%0.76SS**  trans74.5108.8156.4-69.7-40.4000126.3
957S42.3Very low38.7Very low105 Ų105128.4 Ų128.473%0.73477%0.767SS**  46.2144.6100.5-38.60000119.1
958D40.9Very low39Very low142 Ų142129.2 Ų129.276%0.75977%0.765SS**  cis-169168.530.2-176.927.1000111.9
959S42Very low39.4Very low92 Ų92128.6 Ų128.664%0.64377%0.766SS**  trans63.9153.6151.2-83.20000121.4
960S44.8Very low39.9Very low98 Ų98131.2 Ų131.269%0.68578%0.775SS**  cis-167.8170.5-19.346.80000110.8
961N42.8Very low40.4Very low129 Ų129131.8 Ų131.869%0.6978%0.777SS**  trans33.4129.5161-76.857.5000121.4
962E49.6Very low41Very low177 Ų177134.3 Ų134.383%0.82778%0.782SS**  59.5102.769.6-69.7-166.1149.400115.1
963D50.2Low41.6Very low243 Ų243137 Ų137100%1.29979%0.786SS**  trans-148.80138.9-155.433.2000107.4

Retrieved 963 of 963 residues in 223.9 ms (Link to these results)

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