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Beta-alanyl-bioamine nonribosomal peptide synthetase

Catalyzes the condensation of beta-alanine with tryptamine to form beta-alanyl-tryptamine (BATT)1. Beta-alanyl-tryptamine is an essential pheromone produced by the male that stimulates female sexual development during pairing2.

AlphaFold DB , UniProt , Accession A0A3Q0KR05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene NRPS, Length 1,227 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
1M32.5Very low38.4Very low125 Ų125103.6 Ų103.662%0.61657%0.567SS**  0146.20-81.6-74.3-179.400107.8Q3 L16 L20M1-Q3 PolarHBondContact O-N 3.41Å; M1-L16 HydrophobicContact CE-CD2 4.03Å; M1-L20 HydrophobicContact CE-CD2 4.41Å
2P25.6Very low42.3Very low80 Ų8096.8 Ų96.852%0.51953%0.529SS..  trans-57.4137.6170.128.6-31.1000106.9S4P2-S4 PolarHBondContact O-N 3.16Å
3Q30.5Very low45.8Very low186 Ų18689.5 Ų89.587%0.86949%0.489SS*.SBendtrans-67.626.6-177.5-76.3178.9-30.400113.6M1M1-Q3 PolarHBondContact O-N 3.41Å
4S33.8Very low48.8Very low51 Ų5184.3 Ų84.336%0.35746%0.46SS..  trans-149.2112.616460.70000109.2P2 A6 Q7P2-S4 PolarHBondContact O-N 3.16Å; S4-A6 PolarHBondContact O-N 2.91Å; S4-A6 VanDerWaalsContact O-N 3.11Å; S4-Q7 PolarHBondContact O-N 3.01Å
5T38Very low51.3Low87 Ų8780.1 Ų80.153%0.53444%0.438SS..G310 helixtrans-58.7-14164.738.20000111.9Q7 L8 E334T5-Q7 PolarHBondContact O-N 2.68Å; T5-Q7 VanDerWaalsContact O-N 3.1Å; T5-L8 PolarHBondContact O-N 2.93Å; T5-E334 WeakPolarHBondContact CB-OE1 3.18Å; T5-E334 PolarHBondContact OG1-OE1 2.9Å
6A33.5Very low53.5Low93 Ų9375.4 Ų75.477%0.76941%0.412SS*.G310 helixtrans-65-4.9175.200000116.2S4S4-A6 PolarHBondContact O-N 2.91Å; S4-A6 VanDerWaalsContact O-N 3.11Å
7Q32.7Very low55.4Low151 Ų15171.1 Ų71.171%0.70639%0.389SS*.G310 helixtrans-111.37.3179.2-81.9-168.3-8.500115.8S4 T5 K9S4-Q7 PolarHBondContact O-N 3.01Å; T5-Q7 PolarHBondContact O-N 2.68Å; T5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-K9 PolarHBondContact O-N 3.16Å
8L37.5Very low57.1Low51 Ų5167.9 Ų67.927%0.26737%0.37SS..  trans-71.9103.4170.2-80.1157.2000109.5T5 S10 L16 N19T5-L8 PolarHBondContact O-N 2.93Å; L8-S10 PolarHBondContact O-N 3.22Å; L8-L16 HydrophobicContact CD1-CD2 3.65Å; L8-L16 HydrophobicContact CD2-CD2 4.32Å; L8-N19 VanDerWaalsContact CD2-ND2 3.34Å; L8-N19 WeakPolarHBondContact CD2-ND2 3.3Å
9K40.3Very low58.6Low218 Ų21867.5 Ų67.595%0.94837%0.368SS*.SBendtrans-60.6-1.7176.6-77-176175.2-179.50114.4Q7Q7-K9 PolarHBondContact O-N 3.16Å
10S54.2Low59.7Low35 Ų3564.8 Ų64.825%0.24535%0.353CS..  trans-150.6127.3179.3176.10000110.6L8 L12L8-S10 PolarHBondContact O-N 3.22Å; S10-L12 PolarHBondContact O-N 3.48Å; S10-L12 VanDerWaalsContact O-N 3.15Å; S10-L12 WeakPolarHBondContact OG-CB 3.42Å; S10-L12 VanDerWaalsContact OG-CD1 3.24Å; S10-L12 WeakPolarHBondContact OG-CD1 3.37Å; S10-L12 WeakPolarHBondContact OG-CG 3.21Å; S10-L12 PolarHBondContact OG-N 2.84Å
11P64.1Low60.7Low63 Ų6362.4 Ų62.441%0.40934%0.34SS..  trans-75.89.7177.132.4-35000113.2L13 T326P11-L13 PolarHBondContact O-N 3.46Å; P11-T326 WeakPolarHBondContact O-CG2 3.2Å
12L84.7Confident62.9Low21 Ų2163 Ų6311%0.1134%0.342CS..  trans-77.4122.6-173.4-64.8168.9000111.9S10 H14 T15 H177 P304 T326S10-L12 PolarHBondContact O-N 3.48Å; S10-L12 VanDerWaalsContact O-N 3.15Å; S10-L12 WeakPolarHBondContact OG-CB 3.42Å; S10-L12 VanDerWaalsContact OG-CD1 3.24Å; S10-L12 WeakPolarHBondContact OG-CD1 3.37Å; S10-L12 WeakPolarHBondContact OG-CG 3.21Å; S10-L12 PolarHBondContact OG-N 2.84Å; L12-H14 VanDerWaalsContact C-N 3.27Å; L12-H14 PolarHBondContact O-N 3.13Å; L12-H14 VanDerWaalsContact O-N 3.14Å; L12-T15 HydrophobicContact CB-CG2 3.99Å; L12-T15 WeakPolarHBondContact O-CB 3.36Å; L12-T15 PolarHBondContact O-N 3.06Å; L12-T15 PolarHBondContact O-OG1 3.21Å; L12-H177 VanDerWaalsContact CD1-NE2 3.34Å; L12-H177 WeakPolarHBondContact CD1-NE2 3.38Å; L12-P304 HydrophobicContact CD2-CG 3.89Å; L12-T326 HydrophobicContact CD2-CG2 4.27Å
13L87.9Confident65.5Low2 Ų261.2 Ų61.21%0.0133%0.331CS..Hα-helixtrans-52.2-39.3-176.7-70.5165.6000114.2P11 T15 L16 M174 V306 T326 L329 F330 L333 F375 L383P11-L13 PolarHBondContact O-N 3.46Å; L13-T15 PolarHBondContact O-N 2.83Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-M174 HydrophobicContact CB-SD 4.46Å; L13-V306 HydrophobicContact CD1-CG1 4.48Å; L13-V306 HydrophobicContact CD1-CG2 4.45Å; L13-T326 HydrophobicContact CD1-CG2 4.44Å; L13-T326 HydrophobicContact CG-CG2 4.03Å; L13-L329 HydrophobicContact CD1-CB 4.12Å; L13-L329 HydrophobicContact CD1-CD1 4.37Å; L13-F330 HydrophobicContact CD2-CB 4.02Å; L13-F330 HydrophobicContact CD2-CD2 4.24Å; L13-L333 HydrophobicContact CD2-CD1 3.98Å; L13-F375 HydrophobicContact CD1-CZ 3.83Å; L13-L383 HydrophobicContact CB-CD1 4.17Å; L13-L383 HydrophobicContact CD2-CD1 3.75Å
14H87.6Confident68Low17 Ų1757.8 Ų57.88%0.07933%0.328CS..Hα-helixtrans-66-27.7-177.366.3-99.9000112.5L12 L16 L17 E18 M174 K175 H177L12-H14 VanDerWaalsContact C-N 3.27Å; L12-H14 PolarHBondContact O-N 3.13Å; L12-H14 VanDerWaalsContact O-N 3.14Å; H14-L16 PolarHBondContact O-N 3.16Å; H14-L17 WeakPolarHBondContact O-CB 3.41Å; H14-L17 PolarHBondContact O-N 3.18Å; H14-L17 VanDerWaalsContact O-N 3.15Å; H14-E18 IonicContact CD2-OE1 3.6Å; H14-E18 PolarHBondContact CD2-OE1 2.75Å; H14-E18 WeakPolarHBondContact O-CG 3.3Å; H14-E18 PolarHBondContact O-N 3.29Å; H14-M174 HydrophobicContact CB-CB 4.25Å; H14-M174 PolarHBondContact ND1-O 2.79Å; H14-K175 HydrophobicContact CB-CG 3.76Å; H14-H177 AromaticContact CE1-NE2 3.71Å
15T86.9Confident70.3Confident21 Ų2156.7 Ų56.713%0.12932%0.318CS..Hα-helixtrans-66.1-29-179.9670000112.1L12 L13 L17 E18 N19L12-T15 HydrophobicContact CB-CG2 3.99Å; L12-T15 WeakPolarHBondContact O-CB 3.36Å; L12-T15 PolarHBondContact O-N 3.06Å; L12-T15 PolarHBondContact O-OG1 3.21Å; L13-T15 PolarHBondContact O-N 2.83Å; T15-L17 VanDerWaalsContact C-N 3.35Å; T15-L17 PolarHBondContact O-N 3.29Å; T15-E18 PolarHBondContact O-N 3.13Å; T15-N19 PolarHBondContact O-N 3.37Å; T15-N19 PolarHBondContact O-ND2 3.11Å
16L86.3Confident72.3Confident6 Ų653.8 Ų53.83%0.03130%0.301CS..Hα-helixtrans-61.6-44.9173.6-62.6169.4000110.7M1 L8 L13 H14 E18 N19 L20 F330 W337 L383M1-L16 HydrophobicContact CE-CD2 4.03Å; L8-L16 HydrophobicContact CD1-CD2 3.65Å; L8-L16 HydrophobicContact CD2-CD2 4.32Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 3.22Å; H14-L16 PolarHBondContact O-N 3.16Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.08Å; L16-N19 PolarHBondContact O-N 3.38Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 2.91Å; L16-L20 VanDerWaalsContact O-N 3.11Å; L16-F330 HydrophobicContact CD1-CD2 4.02Å; L16-F330 HydrophobicContact CD1-CE2 3.84Å; L16-W337 HydrophobicContact CD1-CH2 3.86Å; L16-W337 HydrophobicContact CD1-CZ3 3.94Å; L16-L383 HydrophobicContact CB-CB 4.12Å; L16-L383 HydrophobicContact CB-CD2 4.24Å; L16-L383 HydrophobicContact CD1-CB 4.06Å; L16-L383 HydrophobicContact CD1-CD1 4.13Å
17L86Confident74.8Confident2 Ų254.3 Ų54.31%0.0130%0.295CS..Hα-helixtrans-63.1-41176-178.564.9000111.7H14 T15 N19 L20 T21 F101 L104 N105 I171 L383H14-L17 WeakPolarHBondContact O-CB 3.41Å; H14-L17 PolarHBondContact O-N 3.18Å; H14-L17 VanDerWaalsContact O-N 3.15Å; T15-L17 VanDerWaalsContact C-N 3.35Å; T15-L17 PolarHBondContact O-N 3.29Å; L17-N19 VanDerWaalsContact C-N 3.35Å; L17-N19 PolarHBondContact O-N 2.86Å; L17-L20 WeakPolarHBondContact O-CB 3.48Å; L17-L20 PolarHBondContact O-N 3.49Å; L17-T21 WeakPolarHBondContact O-CG2 3.33Å; L17-T21 PolarHBondContact O-N 3.41Å; L17-F101 HydrophobicContact CD1-CD1 3.79Å; L17-F101 HydrophobicContact CD1-CE1 4.41Å; L17-L104 HydrophobicContact CD1-CD2 4.38Å; L17-L104 HydrophobicContact CD2-CD2 4.44Å; L17-L104 HydrophobicContact CD2-CG 4.45Å; L17-N105 HydrophobicContact CD2-CB 4.46Å; L17-N105 HydrophobicContact CG-CB 4.49Å; L17-I171 HydrophobicContact CD2-CD1 3.78Å; L17-I171 HydrophobicContact CD2-CG1 4.37Å; L17-I171 HydrophobicContact CD2-CG2 3.82Å; L17-L383 HydrophobicContact CB-CD2 4Å
18E86.4Confident77.4Confident13 Ų1348.8 Ų48.86%0.06127%0.273CS..Hα-helixtrans-62.8-42.2177.7-61.2-179.517500111.4H14 T15 L16 L20 T21 Q22 K175 A289 S290H14-E18 IonicContact CD2-OE1 3.6Å; H14-E18 PolarHBondContact CD2-OE1 2.75Å; H14-E18 WeakPolarHBondContact O-CG 3.3Å; H14-E18 PolarHBondContact O-N 3.29Å; T15-E18 PolarHBondContact O-N 3.13Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.08Å; E18-L20 VanDerWaalsContact C-N 3.29Å; E18-L20 PolarHBondContact O-N 3.3Å; E18-T21 WeakPolarHBondContact O-CB 3.43Å; E18-T21 PolarHBondContact O-N 2.89Å; E18-T21 PolarHBondContact O-OG1 3.45Å; E18-Q22 PolarHBondContact O-N 3.15Å; E18-K175 IonicContact OE1-NZ 3.98Å; E18-K175 PolarHBondContact OE1-NZ 2.87Å; E18-A289 WeakPolarHBondContact CG-O 3.48Å; E18-S290 VanDerWaalsContact CD-OG 3.29Å; E18-S290 WeakPolarHBondContact OE1-CA 3.29Å; E18-S290 WeakPolarHBondContact OE2-CB 3.46Å; E18-S290 PolarHBondContact OE2-OG 2.99Å
19N84.5Confident79.9Confident60 Ų6048.4 Ų48.432%0.32127%0.272SS..Hα-helixtrans-60.7-38.4174.7-67.2-25.4000111.9L8 T15 L16 L17 T21 Q22 S23L8-N19 VanDerWaalsContact CD2-ND2 3.34Å; L8-N19 WeakPolarHBondContact CD2-ND2 3.3Å; T15-N19 PolarHBondContact O-N 3.37Å; T15-N19 PolarHBondContact O-ND2 3.11Å; L16-N19 PolarHBondContact O-N 3.38Å; L17-N19 VanDerWaalsContact C-N 3.35Å; L17-N19 PolarHBondContact O-N 2.86Å; N19-T21 VanDerWaalsContact C-N 3.26Å; N19-T21 PolarHBondContact O-N 2.84Å; N19-Q22 PolarHBondContact O-N 3.31Å; N19-Q22 VanDerWaalsContact O-N 3.14Å; N19-S23 PolarHBondContact O-N 3.04Å
20L81.1Confident82.2Confident14 Ų1438 Ų387%0.07323%0.227CC..Hα-helixtrans-63.8-32.1174.7-63.6174.2000112M1 L16 L17 E18 Q22 S23 I25 F101 L382M1-L20 HydrophobicContact CE-CD2 4.41Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 2.91Å; L16-L20 VanDerWaalsContact O-N 3.11Å; L17-L20 WeakPolarHBondContact O-CB 3.48Å; L17-L20 PolarHBondContact O-N 3.49Å; E18-L20 VanDerWaalsContact C-N 3.29Å; E18-L20 PolarHBondContact O-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.19Å; L20-S23 PolarHBondContact O-N 3.32Å; L20-S23 VanDerWaalsContact O-N 3.15Å; L20-S23 PolarHBondContact O-OG 2.82Å; L20-I25 HydrophobicContact CB-CD1 4.46Å; L20-I25 HydrophobicContact CD2-CD1 3.82Å; L20-I25 HydrophobicContact CD2-CG1 4.46Å; L20-F101 HydrophobicContact CD1-CD1 4.2Å; L20-F101 HydrophobicContact CD1-CE1 4.07Å; L20-L382 WeakPolarHBondContact CD1-O 3.41Å
21T80.4Confident84.2Confident14 Ų1436.3 Ų36.39%0.08622%0.215CC..Hα-helixtrans-70.4-19.6175.668.40000114.3L17 E18 N19 S23 C26 N105L17-T21 WeakPolarHBondContact O-CG2 3.33Å; L17-T21 PolarHBondContact O-N 3.41Å; E18-T21 WeakPolarHBondContact O-CB 3.43Å; E18-T21 PolarHBondContact O-N 2.89Å; E18-T21 PolarHBondContact O-OG1 3.45Å; N19-T21 VanDerWaalsContact C-N 3.26Å; N19-T21 PolarHBondContact O-N 2.84Å; T21-S23 VanDerWaalsContact C-N 3.35Å; T21-C26 WeakPolarHBondContact O-CB 3.49Å; T21-N105 HydrophobicContact CG2-CB 3.48Å; T21-N105 VanDerWaalsContact CG2-CB 3.48Å
22Q79.9Confident85.6Confident137 Ų13735.8 Ų35.864%0.6421%0.205SC*.THydrogen-bonded Turntrans-90.5-2.2173.7-60.3178.111.500112.7E18 N19 L20 A289E18-Q22 PolarHBondContact O-N 3.15Å; N19-Q22 PolarHBondContact O-N 3.31Å; N19-Q22 VanDerWaalsContact O-N 3.14Å; L20-Q22 PolarHBondContact O-N 3.19Å; Q22-A289 HydrophobicContact CG-CB 4.39Å
23S80.2Confident86Confident43 Ų4335.7 Ų35.730%0.30120%0.204SC..SBendtrans-99.4171.1-179.279.40000112.3N19 L20 T21 I25 C26N19-S23 PolarHBondContact O-N 3.04Å; L20-S23 PolarHBondContact O-N 3.32Å; L20-S23 VanDerWaalsContact O-N 3.15Å; L20-S23 PolarHBondContact O-OG 2.82Å; T21-S23 VanDerWaalsContact C-N 3.35Å; S23-I25 PolarHBondContact O-N 2.98Å; S23-I25 VanDerWaalsContact O-N 3.1Å; S23-I25 WeakPolarHBondContact OG-CG1 3.37Å; S23-I25 PolarHBondContact OG-N 3.36Å; S23-C26 WeakPolarHBondContact O-CB 3.42Å; S23-C26 PolarHBondContact O-N 3.28Å; S23-C26 PolarHBondContact O-SG 3.19Å
24S81.7Confident86.2Confident114 Ų11435.8 Ų35.880%0.79721%0.205SC*.THydrogen-bonded Turntrans-62.2-16.4178.357.10000114.6
25I82.5Confident85.9Confident29 Ų2936.1 Ų36.115%0.14921%0.209CC..THydrogen-bonded Turntrans-88.81.8179.568.1158.2000113.6L20 S23 T27 S28 F101 G385L20-I25 HydrophobicContact CB-CD1 4.46Å; L20-I25 HydrophobicContact CD2-CD1 3.82Å; L20-I25 HydrophobicContact CD2-CG1 4.46Å; S23-I25 PolarHBondContact O-N 2.98Å; S23-I25 VanDerWaalsContact O-N 3.1Å; S23-I25 WeakPolarHBondContact OG-CG1 3.37Å; S23-I25 PolarHBondContact OG-N 3.36Å; I25-T27 PolarHBondContact O-N 3.15Å; I25-T27 VanDerWaalsContact O-N 3.15Å; I25-S28 VanDerWaalsContact O-CB 3.29Å; I25-S28 WeakPolarHBondContact O-CB 3.45Å; I25-S28 PolarHBondContact O-N 3.47Å; I25-S28 PolarHBondContact O-OG 3.21Å; I25-F101 HydrophobicContact CD1-CD2 4.32Å; I25-F101 HydrophobicContact CD1-CE2 4.19Å; I25-G385 VanDerWaalsContact CD1-CA 3.43Å
26C80.8Confident85.5Confident26 Ų2636.7 Ų36.718%0.17621%0.211CC..THydrogen-bonded Turntrans-58.4-32.4-173.568.80000114T21 S23 F101 L102T21-C26 WeakPolarHBondContact O-CB 3.49Å; S23-C26 WeakPolarHBondContact O-CB 3.42Å; S23-C26 PolarHBondContact O-N 3.28Å; S23-C26 PolarHBondContact O-SG 3.19Å; C26-F101 PolarHBondContact O-N 3.04Å; C26-L102 HydrophobicContact CB-CB 4.35Å; C26-L102 VanDerWaalsContact O-CB 3.27Å; C26-L102 WeakPolarHBondContact O-CB 3.48Å; C26-L102 PolarHBondContact O-N 3.43Å
27T85.9Confident84.6Confident104 Ų10436.4 Ų36.464%0.63821%0.209SC*.THydrogen-bonded Turntrans-88.7-6.1177.256.10000113.5I25 T100I25-T27 PolarHBondContact O-N 3.15Å; I25-T27 VanDerWaalsContact O-N 3.15Å; T27-T100 WeakPolarHBondContact O-CG2 3.39Å
28S87.8Confident83.6Confident35 Ų3538.7 Ų38.725%0.24522%0.223CC..SBendtrans-74152.8177.175.30000111.8I25 A30 T100 F101I25-S28 VanDerWaalsContact O-CB 3.29Å; I25-S28 WeakPolarHBondContact O-CB 3.45Å; I25-S28 PolarHBondContact O-N 3.47Å; I25-S28 PolarHBondContact O-OG 3.21Å; S28-A30 PolarHBondContact O-N 2.89Å; S28-T100 WeakPolarHBondContact O-CA 3.27Å; S28-T100 VanDerWaalsContact O-CB 3.3Å; S28-T100 WeakPolarHBondContact O-CB 3.49Å; S28-F101 PolarHBondContact O-N 2.74Å
29T89.2Confident82.4Confident42 Ų4242.2 Ų42.226%0.25824%0.243SC..EExtended strand (participates in β ladder)trans-63.1123.7177.6-520000110.3I31 W32 P387T29-I31 WeakPolarHBondContact CG2-O 3.36Å; T29-W32 HydrophobicContact CG2-CD2 3.95Å; T29-W32 HydrophobicContact CG2-CG 4.38Å; T29-W32 HydrophobicContact CG2-CH2 4.4Å; T29-W32 HydrophobicContact CG2-CZ2 3.79Å; T29-P387 WeakPolarHBondContact O-CB 3.35Å; T29-P387 VanDerWaalsContact O-CG 3.32Å; T29-P387 WeakPolarHBondContact O-CG 3.5Å
30A89.4Confident81.4Confident0 Ų040.1 Ų40.10%023%0.23CC..EExtended strand (participates in β ladder)trans-92.4-41.9173.400000111.3S28 M99 F101 L104 L382 P387 V388S28-A30 PolarHBondContact O-N 2.89Å; A30-M99 WeakPolarHBondContact CA-O 3.49Å; A30-M99 WeakPolarHBondContact CB-O 3.44Å; A30-M99 PolarHBondContact N-O 3.21Å; A30-F101 HydrophobicContact CB-CB 4.45Å; A30-F101 HydrophobicContact CB-CD1 3.71Å; A30-F101 HydrophobicContact CB-CD2 3.79Å; A30-F101 HydrophobicContact CB-CE1 3.7Å; A30-F101 HydrophobicContact CB-CE2 3.8Å; A30-F101 HydrophobicContact CB-CG 3.74Å; A30-F101 HydrophobicContact CB-CZ 3.74Å; A30-L104 HydrophobicContact CB-CD2 4.4Å; A30-L382 HydrophobicContact CB-CD2 4.03Å; A30-P387 CarbonylContact O-C 3.58Å; A30-P387 WeakPolarHBondContact O-CA 2.85Å; A30-V388 PolarHBondContact O-N 3.48Å
31I94.4Very high80.3Confident0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-132.5134.6-172-58.8164.8000110.3T29 H33 T98 M99 L104 I164 I167 L382 V388 V390T29-I31 WeakPolarHBondContact CG2-O 3.36Å; I31-H33 HydrophobicContact CG2-CB 4.42Å; I31-T98 WeakPolarHBondContact O-CA 3.37Å; I31-M99 HydrophobicContact CB-CB 4.24Å; I31-M99 PolarHBondContact N-O 2.82Å; I31-M99 VanDerWaalsContact N-O 3.09Å; I31-M99 PolarHBondContact O-N 3.01Å; I31-M99 VanDerWaalsContact O-N 3.08Å; I31-L104 HydrophobicContact CD1-CD1 3.92Å; I31-L104 HydrophobicContact CD1-CD2 3.87Å; I31-L104 HydrophobicContact CD1-CG 4.49Å; I31-I164 HydrophobicContact CG2-CG1 4.07Å; I31-I167 HydrophobicContact CD1-CB 4.44Å; I31-I167 HydrophobicContact CD1-CD1 3.82Å; I31-I167 HydrophobicContact CD1-CG2 4Å; I31-I167 HydrophobicContact CG2-CD1 4.49Å; I31-L382 HydrophobicContact CD1-CD1 4.39Å; I31-L382 HydrophobicContact CG1-CD2 3.92Å; I31-V388 WeakPolarHBondContact CA-O 3.49Å; I31-V388 HydrophobicContact CG1-CG1 4Å; I31-V390 HydrophobicContact CG2-CG2 4.02Å
32W94.6Very high78.7Confident52 Ų5244.6 Ų44.620%0.19726%0.259CS..EExtended strand (participates in β ladder)trans-110113.6156.1-65.1-84.5000108.9T29 I96 Y97 T98 I362 P387 V388 V389 V390 F415T29-W32 HydrophobicContact CG2-CD2 3.95Å; T29-W32 HydrophobicContact CG2-CG 4.38Å; T29-W32 HydrophobicContact CG2-CH2 4.4Å; T29-W32 HydrophobicContact CG2-CZ2 3.79Å; W32-I96 HydrophobicContact CB-CG2 3.98Å; W32-I96 HydrophobicContact CG-CG2 4.35Å; W32-Y97 CarbonylContact C-O 3.55Å; W32-Y97 WeakPolarHBondContact CA-O 3.27Å; W32-T98 VanDerWaalsContact CD1-CG2 3.46Å; W32-T98 HydrophobicContact CG-CG2 4.44Å; W32-I362 HydrophobicContact CH2-CD1 3.98Å; W32-I362 HydrophobicContact CZ3-CD1 3.94Å; W32-I362 HydrophobicContact CZ3-CG1 4.21Å; W32-I362 HydrophobicContact CZ3-CG2 4.01Å; W32-P387 HydrophobicContact CE3-CB 4.15Å; W32-P387 HydrophobicContact CH2-CB 3.73Å; W32-P387 HydrophobicContact CH2-CG 4.29Å; W32-P387 HydrophobicContact CZ3-CB 3.3Å; W32-P387 HydrophobicContact CZ3-CG 4.3Å; W32-V388 PolarHBondContact N-O 3.47Å; W32-V389 HydrophobicContact CB-CG2 4.45Å; W32-V389 HydrophobicContact CE3-CG2 4.05Å; W32-V389 CarbonylContact O-C 3.56Å; W32-V389 WeakPolarHBondContact O-CA 3.49Å; W32-V390 PolarHBondContact O-N 3.11Å; W32-F415 HydrophobicContact CB-CD1 4.06Å; W32-F415 HydrophobicContact CB-CE1 3.56Å; W32-F415 HydrophobicContact CB-CZ 4.15Å; W32-F415 AromaticContact CD1-CE1 3.6Å; W32-F415 AromaticContact CD2-CD1 3.89Å; W32-F415 HydrophobicContact CD2-CD1 3.89Å; W32-F415 HydrophobicContact CD2-CE1 4.09Å; W32-F415 HydrophobicContact CE3-CD1 4.22Å; W32-F415 AromaticContact CG-CD1 3.8Å; W32-F415 HydrophobicContact CG-CD1 3.8Å; W32-F415 AromaticContact CG-CE1 3.49Å; W32-F415 HydrophobicContact CG-CE1 3.49Å; W32-F415 VanDerWaalsContact CG-CE1 3.49Å; W32-F415 HydrophobicContact CG-CZ 4.5Å
33H93.3Very high76.6Confident19 Ų1944.8 Ų44.89%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-97.9127.3174.7171.1-141.5000109.4I31 P35 I96 Y97 P162 G163 I164 V390 G392I31-H33 HydrophobicContact CG2-CB 4.42Å; H33-P35 WeakPolarHBondContact O-CD 3.38Å; H33-I96 CarbonylContact O-C 3.57Å; H33-I96 WeakPolarHBondContact O-CA 3.4Å; H33-Y97 PolarHBondContact N-O 3.37Å; H33-Y97 AromaticContact ND1-CD2 3.69Å; H33-Y97 PolarHBondContact O-N 3.04Å; H33-P162 PolarHBondContact NE2-O 2.71Å; H33-P162 VanDerWaalsContact NE2-O 3.08Å; H33-G163 VanDerWaalsContact CE1-CA 3.49Å; H33-G163 WeakPolarHBondContact CE1-CA 3.28Å; H33-G163 WeakPolarHBondContact NE2-CA 3.07Å; H33-I164 HydrophobicContact CB-CD1 4.14Å; H33-I164 HydrophobicContact CB-CG1 3.93Å; H33-V390 WeakPolarHBondContact CA-O 3.31Å; H33-V390 PolarHBondContact CD2-O 3.43Å; H33-G392 PolarHBondContact CD2-O 3.26Å; H33-G392 PolarHBondContact NE2-O 2.76Å
34V90.7Very high74.4Confident4 Ų447 Ų472%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-117.489.2-178.1-171.40000108.3N36 P37 F40 I96 V389 V390 P391 G392 L411 F415V34-N36 VanDerWaalsContact C-N 3.33Å; V34-N36 PolarHBondContact O-N 3.38Å; V34-P37 HydrophobicContact CG1-CB 4.16Å; V34-F40 HydrophobicContact CG1-CD2 4.37Å; V34-I96 HydrophobicContact CG2-CG1 4.38Å; V34-I96 HydrophobicContact CG2-CG2 4.44Å; V34-V389 HydrophobicContact CG2-CG1 4.15Å; V34-V390 PolarHBondContact N-O 3.09Å; V34-P391 CarbonylContact O-C 3.44Å; V34-P391 WeakPolarHBondContact O-CA 3.29Å; V34-G392 PolarHBondContact O-N 3.15Å; V34-L411 HydrophobicContact CB-CD2 4.45Å; V34-L411 HydrophobicContact CG1-CD2 4.23Å; V34-L411 HydrophobicContact CG2-CD2 4.15Å; V34-F415 HydrophobicContact CG2-CE2 3.68Å; V34-F415 HydrophobicContact CG2-CZ 3.64Å
35P82Confident71.7Confident24 Ų2449 Ų4916%0.15627%0.272CS..SBendtrans-62.5-36.3-169.7-19.127.6000114.1H33 E95 Y97 G392 G393H33-P35 WeakPolarHBondContact O-CD 3.38Å; P35-E95 VanDerWaalsContact CD-O 3.31Å; P35-E95 WeakPolarHBondContact CD-O 3.47Å; P35-Y97 HydrophobicContact CG-CD2 3.62Å; P35-Y97 HydrophobicContact CG-CE2 3.45Å; P35-Y97 VanDerWaalsContact CG-CE2 3.45Å; P35-G392 WeakPolarHBondContact CA-O 3.34Å; P35-G392 CarbonylContact O-C 3.5Å; P35-G392 VanDerWaalsContact O-C 3.22Å; P35-G393 PolarHBondContact O-N 3.08Å
36N78.2Confident69.1Low32 Ų3254.5 Ų54.517%0.17130%0.296CS..  trans-128.779.9-178.9-170.8-5.8000111V34 V38 N39V34-N36 VanDerWaalsContact C-N 3.33Å; V34-N36 PolarHBondContact O-N 3.38Å; N36-V38 PolarHBondContact O-N 3.47Å; N36-V38 PolarHBondContact OD1-N 3.45Å; N36-N39 PolarHBondContact ND2-ND2 2.84Å; N36-N39 VanDerWaalsContact ND2-ND2 3.13Å
37P68.9Low66.5Low0 Ų061.3 Ų61.30%033%0.331CS..G310 helixtrans-72-15.7-179.129.1-33.2000113V34 N39 F40 P391 S401 Q407 L411V34-P37 HydrophobicContact CG1-CB 4.16Å; P37-N39 VanDerWaalsContact C-N 3.31Å; P37-N39 PolarHBondContact O-N 3.01Å; P37-F40 WeakPolarHBondContact O-CB 3.32Å; P37-F40 PolarHBondContact O-N 3.05Å; P37-F40 VanDerWaalsContact O-N 3.17Å; P37-P391 HydrophobicContact CB-CB 4.3Å; P37-P391 HydrophobicContact CG-CB 4.09Å; P37-S401 WeakPolarHBondContact CG-OG 3.16Å; P37-Q407 VanDerWaalsContact C-OE1 3.24Å; P37-Q407 PolarHBondContact O-OE1 3.48Å; P37-L411 HydrophobicContact CB-CD1 4.42Å
38V64.2Low63.6Low51 Ų5160.9 Ų60.931%0.30933%0.332SS..G310 helixtrans-65.5-36.4178-171.10000111.5N36 F40N36-V38 PolarHBondContact O-N 3.47Å; N36-V38 PolarHBondContact OD1-N 3.45Å; V38-F40 VanDerWaalsContact C-N 3.31Å
39N61.2Low60.6Low87 Ų8769.1 Ų69.147%0.46536%0.364SS..G310 helixtrans-90.44.9177.6-69.4-15.9000113N36 P37 V41 N94N36-N39 PolarHBondContact ND2-ND2 2.84Å; N36-N39 VanDerWaalsContact ND2-ND2 3.13Å; P37-N39 VanDerWaalsContact C-N 3.31Å; P37-N39 PolarHBondContact O-N 3.01Å; N39-V41 PolarHBondContact O-N 3.16Å; N39-V41 VanDerWaalsContact O-N 3.09Å; N39-N94 VanDerWaalsContact CB-OD1 3.32Å; N39-N94 WeakPolarHBondContact CB-OD1 3.48Å; N39-N94 PolarHBondContact O-ND2 3.06Å; N39-N94 PolarHBondContact O-OD1 3.24Å
40F63.7Low57.5Low15 Ų1574.6 Ų74.67%0.06639%0.392CS..  trans-77.697.4-178.5-169.4-102.7000110.7V34 P37 V38 I96 N410 L411 H414 F415V34-F40 HydrophobicContact CG1-CD2 4.37Å; P37-F40 WeakPolarHBondContact O-CB 3.32Å; P37-F40 PolarHBondContact O-N 3.05Å; P37-F40 VanDerWaalsContact O-N 3.17Å; V38-F40 VanDerWaalsContact C-N 3.31Å; F40-I96 HydrophobicContact CE2-CD1 3.86Å; F40-I96 HydrophobicContact CE2-CG1 4.33Å; F40-I96 HydrophobicContact CZ-CD1 4.39Å; F40-N410 HydrophobicContact CD1-CB 3.79Å; F40-N410 HydrophobicContact CE1-CB 4.2Å; F40-N410 PolarHBondContact O-ND2 2.63Å; F40-L411 HydrophobicContact CD1-CD2 4.17Å; F40-L411 HydrophobicContact CE1-CD2 4.39Å; F40-H414 HydrophobicContact CE1-CB 3.76Å; F40-H414 HydrophobicContact CZ-CB 3.7Å; F40-H414 AromaticContact CZ-CD2 3.82Å; F40-H414 AromaticContact CZ-CG 3.47Å; F40-H414 VanDerWaalsContact CZ-CG 3.47Å; F40-H414 AromaticContact CZ-ND1 3.65Å; F40-F415 HydrophobicContact CZ-CE2 4.29Å
41V56.9Low54.4Low97 Ų9782.1 Ų82.159%0.58843%0.432SS*.  trans-108.2122176.1-173.80000109.1N39 N43N39-V41 PolarHBondContact O-N 3.16Å; N39-V41 VanDerWaalsContact O-N 3.09Å; V41-N43 PolarHBondContact O-N 2.88Å; V41-N43 VanDerWaalsContact O-N 3.11Å
42C47.5Very low51.1Low25 Ų2592.3 Ų92.317%0.16948%0.476CS..  trans-71.5101.1170.9-81.20000109.1H44 K413C42-H44 PolarHBondContact O-N 3.41Å; C42-H44 VanDerWaalsContact O-N 3.09Å; C42-K413 HydrophobicContact CB-CD 4.48Å
43N36.3Very low47.8Very low141 Ų14197 Ų9775%0.75451%0.505SS*.  trans-62.4112.4171.3-79.2-8.5000109.6V41V41-N43 PolarHBondContact O-N 2.88Å; V41-N43 VanDerWaalsContact O-N 3.11Å
44H34Very low44.5Very low91 Ų91104 Ų10442%0.42154%0.544SS..  trans-81114.8171.9-90.2-101.9000109.6C42 E46 K413 H445C42-H44 PolarHBondContact O-N 3.41Å; C42-H44 VanDerWaalsContact O-N 3.09Å; H44-E46 IonicContact CE1-OE1 3.1Å; H44-E46 PolarHBondContact CE1-OE1 2.92Å; H44-E46 VanDerWaalsContact ND1-CD 3.35Å; H44-E46 WeakPolarHBondContact ND1-CG 3.36Å; H44-E46 IonicContact ND1-OE1 2.8Å; H44-E46 PolarHBondContact ND1-OE1 2.73Å; H44-E46 VanDerWaalsContact ND1-OE1 3.07Å; H44-K413 PolarHBondContact CE1-NZ 3.19Å; H44-K413 PolarHBondContact NE2-NZ 2.75Å; H44-H445 AromaticContact CE1-NE2 3.84Å; H44-H445 AromaticContact NE2-CE1 3.67Å; H44-H445 AromaticContact NE2-NE2 3.61Å
45N25.3Very low41.3Very low155 Ų155109 Ų10983%0.82958%0.579SS**  trans-115.587.8142.5-94.8-12.7000106.9N47N45-N47 VanDerWaalsContact C-N 3.25Å; N45-N47 PolarHBondContact O-N 3.35Å; N45-N47 VanDerWaalsContact O-N 3.08Å
46E27Very low38.6Very low144 Ų144113.9 Ų113.967%0.67361%0.608SS**  trans-7582163.9-77.8176.6178.500107.7H44H44-E46 IonicContact CE1-OE1 3.1Å; H44-E46 PolarHBondContact CE1-OE1 2.92Å; H44-E46 VanDerWaalsContact ND1-CD 3.35Å; H44-E46 WeakPolarHBondContact ND1-CG 3.36Å; H44-E46 IonicContact ND1-OE1 2.8Å; H44-E46 PolarHBondContact ND1-OE1 2.73Å; H44-E46 VanDerWaalsContact ND1-OE1 3.07Å
47N25.4Very low35.9Very low170 Ų170118.8 Ų118.891%0.90964%0.639SS**SBendtrans-171.737.9160.7-95.1-18.5000113.3N45N45-N47 VanDerWaalsContact C-N 3.25Å; N45-N47 PolarHBondContact O-N 3.35Å; N45-N47 VanDerWaalsContact O-N 3.08Å
48S24.8Very low33.7Very low94 Ų94123.9 Ų123.966%0.65767%0.67SS**  trans-154.655.2168.272.20000112.7
49F24.8Very low31.7Very low208 Ų208129.3 Ų129.391%0.91270%0.696SS**  trans-139.663.8166.7-94-80.1000109.8
50D25.2Very low29.8Very low157 Ų157130 Ų13084%0.8470%0.703SS**SBendtrans-145.6126.4148-89.5-36.6000106.3
51N24.2Very low27.8Very low158 Ų158135.5 Ų135.585%0.84574%0.738SS**SBendtrans66.981.5179.4-64.1-28.9000117.9
52K25.6Very low26.3Very low214 Ų214136.6 Ų136.693%0.9375%0.746SS**  -161126.6127.6-105.2167.5-167.4-177.80111.3
53N24.1Very low25.1Very low151 Ų151142.8 Ų142.881%0.80778%0.777SS**  trans-52148.7-175-69-38.1000115.4S55N53-S55 PolarHBondContact O-N 3.44Å
54N24Very low24.5Very low166 Ų166142.8 Ų142.889%0.88878%0.782SS**  trans12.291.2139.4-73.2-17.2000116.4
55S23.3Very low23.9Very low109 Ų109143.2 Ų143.276%0.76280%0.795SS**  trans-146.475.914966.90000109N53 T57N53-S55 PolarHBondContact O-N 3.44Å; S55-T57 PolarHBondContact O-N 2.94Å
56V25.7Very low23.8Very low127 Ų127141.3 Ų141.377%0.7779%0.789SS**  trans-58.9118.5146.1172.60000104.8T58V56-T58 PolarHBondContact O-N 3.44Å; V56-T58 PolarHBondContact O-OG1 3.28Å
57T22.2Very low23.7Very low135 Ų135141.2 Ų141.283%0.82879%0.793SS**  trans-65.385.9168.9-2.50000107.6S55 I59S55-T57 PolarHBondContact O-N 2.94Å; T57-I59 PolarHBondContact O-N 3.37Å; T57-I59 VanDerWaalsContact O-N 3.16Å
58T21.8Very low23.6Very low107 Ų107139.1 Ų139.166%0.65678%0.782SS**  trans-58.3107.4157.5-130000106V56 T60V56-T58 PolarHBondContact O-N 3.44Å; V56-T58 PolarHBondContact O-OG1 3.28Å; T58-T60 PolarHBondContact O-N 3.04Å
59I22.6Very low23.6Very low165 Ų165142.4 Ų142.485%0.84679%0.787SS**  trans-68.995154.6-63.7174.9000104T57 T61T57-I59 PolarHBondContact O-N 3.37Å; T57-I59 VanDerWaalsContact O-N 3.16Å; I59-T61 PolarHBondContact O-N 3.01Å
60T22.2Very low23.8Very low100 Ų100141.4 Ų141.461%0.61378%0.782SS**  trans-61.9117.8174.939.60000108.9T58 T62T58-T60 PolarHBondContact O-N 3.04Å; T60-T62 PolarHBondContact O-N 2.77Å; T60-T62 VanDerWaalsContact O-N 3.16Å
61T21.7Very low23.7Very low131 Ų131141.1 Ų141.180%0.80478%0.78SS**  trans-55.6107.2154.143.10000108.1I59 D63I59-T61 PolarHBondContact O-N 3.01Å; T61-D63 PolarHBondContact O-N 3.3Å
62T25Very low23.8Very low121 Ų121139.6 Ų139.674%0.74278%0.777SS**  trans-79.9112.7164.1440000108.4T60T60-T62 PolarHBondContact O-N 2.77Å; T60-T62 VanDerWaalsContact O-N 3.16Å
63D21.7Very low23.7Very low154 Ų154135.6 Ų135.682%0.82477%0.766SS**  trans-49.5135.4163-72.6-48.4000111.2T61T61-D63 PolarHBondContact O-N 3.3Å
64V24.6Very low23.6Very low142 Ų142138.5 Ų138.586%0.86177%0.767SS**  trans-124.7100.91611790000107.9
65S21.8Very low23.6Very low100 Ų100138.3 Ų138.370%0.69977%0.766SS**  trans-98.7120.2161.349.90000109.8
66T22.4Very low23.6Very low114 Ų114144.4 Ų144.470%0.69977%0.774SS**  trans39.7108.4140.958.90000119.7
67N24.8Very low23.5Very low142 Ų142147.4 Ų147.476%0.75978%0.779SS**  170.8123.9101.6-93.4-27.4000114.2
68N22.9Very low23.7Very low127 Ų127149.4 Ų149.468%0.67978%0.779SS**  trans30.8116.7137.1-65.4-19.4000120.3
69H25.7Very low23.9Very low163 Ų163152 Ų15276%0.75578%0.784SS**  168.9141.788.1-104.7-52.7000113.6
70K28.8Very low24Very low187 Ų187150.6 Ų150.681%0.81377%0.774SS**  trans8696.2150.1-70.5175-179.1-178.80119.8
71N22Very low24Very low150 Ų150152.4 Ų152.480%0.80278%0.775SS**  16.6127.5129.1-70.7-6000118.3
72T26.6Very low24.2Very low127 Ų127153.5 Ų153.578%0.77977%0.765SS**  -171.6128.5100.9240000112.4
73N24.2Very low24Very low130 Ų130151.2 Ų151.270%0.69575%0.754SS**  trans53.5110.7144.9-65.6-10.7000122.5
74Y22.8Very low24.2Very low211 Ų211151.3 Ų151.383%0.82775%0.754SS**  44.493122.4-68.4-81.2000117.8
75D23.5Very low24.2Very low162 Ų162151.9 Ų151.987%0.86675%0.747SS**  trans-165.393.3130.1-93-24.7000108
76Y22.8Very low24.5Very low237 Ų237152.2 Ų152.293%0.92974%0.738SS**  trans-108.565.4171.5-92.9-80000109.7
77E23.8Very low24.8Very low190 Ų190151.5 Ų151.589%0.88873%0.729SS**  trans-103.869149.7-78.3-167.3160.100108.5
78Q25.4Very low24.8Very low177 Ų177149.2 Ų149.283%0.82772%0.717SS**  trans-124.597.6154.5-78.4-168.413.400107.5E80Q78-E80 PolarHBondContact O-N 3.46Å
79Q25.8Very low25Very low161 Ų161145.6 Ų145.675%0.75270%0.701SS**  trans-47.8105.7168.5-69.7172.6-13.700109.3Q81Q79-Q81 HydrophobicContact CB-CG 4.25Å; Q79-Q81 PolarHBondContact O-N 2.79Å
80E25Very low24.9Very low137 Ų137143.8 Ų143.864%0.6470%0.697SS**  trans-64.476.3145.1-80.5-167.9125.800107Q78 W82 R283Q78-E80 PolarHBondContact O-N 3.46Å; E80-W82 PolarHBondContact O-N 3.36Å; E80-R283 VanDerWaalsContact CD-CZ 3.42Å; E80-R283 IonicContact OE1-CZ 3.16Å; E80-R283 IonicContact OE1-NE 2.77Å; E80-R283 IonicContact OE1-NH2 2.63Å; E80-R283 PolarHBondContact OE1-NH2 3.43Å; E80-R283 IonicContact OE2-CZ 2.76Å; E80-R283 IonicContact OE2-NE 3.41Å; E80-R283 PolarHBondContact OE2-NE 3.48Å; E80-R283 IonicContact OE2-NH1 2.88Å; E80-R283 PolarHBondContact OE2-NH1 3.34Å; E80-R283 VanDerWaalsContact OE2-NH1 3.09Å; E80-R283 IonicContact OE2-NH2 3.16Å; E80-R283 PolarHBondContact OE2-NH2 3.29Å; E80-R283 VanDerWaalsContact OE2-NH2 3.1Å
81Q22.6Very low25Very low137 Ų137138.7 Ų138.764%0.6468%0.676SS**  trans-53.9111.1156.3-86.4-179.6-12.900105.9Q79 S83Q79-Q81 HydrophobicContact CB-CG 4.25Å; Q79-Q81 PolarHBondContact O-N 2.79Å; Q81-S83 PolarHBondContact O-N 2.87Å
82W24.9Very low25.5Very low155 Ų155138 Ų13859%0.58767%0.668SS**  trans-59.576.8136.7-75.6-27.6000106.3E80 N84 R283E80-W82 PolarHBondContact O-N 3.36Å; W82-N84 VanDerWaalsContact C-N 3.33Å; W82-N84 PolarHBondContact O-N 3.47Å; W82-R283 HydrophobicContact CZ2-CG 4.17Å
83S22.6Very low26.1Very low72 Ų72134.4 Ų134.450%0.50365%0.648SS.*  trans-55.9108.6160.743.70000104.6Q81 E85Q81-S83 PolarHBondContact O-N 2.87Å; S83-E85 PolarHBondContact O-N 3.5Å
84N24.6Very low27.4Very low157 Ų157132 Ų13284%0.8464%0.636SS**  trans-11.376.9130.5-65.5-35.2000111.5W82 E86W82-N84 VanDerWaalsContact C-N 3.33Å; W82-N84 PolarHBondContact O-N 3.47Å; N84-E86 PolarHBondContact O-N 2.99Å; N84-E86 VanDerWaalsContact O-N 3.12Å
85E26.1Very low29.4Very low153 Ų153125.9 Ų125.972%0.71561%0.614SS**  trans-7499.5152.9-82.2-170.4161.600104.1S83 I87S83-E85 PolarHBondContact O-N 3.5Å; E85-I87 PolarHBondContact O-N 2.91Å
86E27.3Very low32.3Very low107 Ų107120.5 Ų120.550%0.559%0.585SS.*  trans-35.9125.8174.2-68.9178.9150.800110.5N84 N88 Q1210N84-E86 PolarHBondContact O-N 2.99Å; N84-E86 VanDerWaalsContact O-N 3.12Å; E86-N88 PolarHBondContact O-N 3.15Å; E86-N88 PolarHBondContact OE2-ND2 3.31Å; E86-Q1210 PolarHBondContact OE2-OE1 2.71Å
87I28.2Very low35.4Very low100 Ų100114 Ų11451%0.51356%0.56SS.*  trans-60.577152.6-61.5165.8000105.9E85 S89 I272E85-I87 PolarHBondContact O-N 2.91Å; I87-S89 PolarHBondContact O-N 3.36Å; I87-S89 VanDerWaalsContact O-N 3.13Å; I87-I272 HydrophobicContact CD1-CD1 4.48Å; I87-I272 HydrophobicContact CD1-CG2 4.39Å
88N25.5Very low38.6Very low93 Ų93109.1 Ų109.150%0.49754%0.543SS..  trans-81.980.9164.3-90.2-36.1000106.9E86 N90E86-N88 PolarHBondContact O-N 3.15Å; E86-N88 PolarHBondContact OE2-ND2 3.31Å; N88-N90 PolarHBondContact O-N 3.43Å
89S26Very low41.7Very low51 Ų51101.9 Ų101.936%0.35751%0.509SS..  trans-67.374.6162.362.40000108.7I87 K243I87-S89 PolarHBondContact O-N 3.36Å; I87-S89 VanDerWaalsContact O-N 3.13Å; S89-K243 PolarHBondContact OG-NZ 2.81Å; S89-K243 VanDerWaalsContact OG-NZ 3.16Å
90N24.8Very low44.8Very low126 Ų12695.6 Ų95.667%0.67448%0.482SS*.  trans-161.177.9176.6-89.2-28000110.8N88N88-N90 PolarHBondContact O-N 3.43Å
91Q29.8Very low47.9Very low79 Ų7989.1 Ų89.137%0.36945%0.452SS..  trans162.290.4146.9-91.1-178.4-68.500107.5S93 E1177Q91-S93 PolarHBondContact O-N 3.07Å; Q91-S93 PolarHBondContact O-OG 3.5Å; Q91-E1177 PolarHBondContact NE2-OE2 3.3Å
92E32.8Very low51Low135 Ų13585.6 Ų85.663%0.63144%0.437SS*.  trans-74.569.3167.1-75.4-173.6154.300109.4
93S38.5Very low54.1Low52 Ų5284.7 Ų84.736%0.36444%0.437SS..SBendtrans-104.388.5175.549.70000108.9Q91 E95Q91-S93 PolarHBondContact O-N 3.07Å; Q91-S93 PolarHBondContact O-OG 3.5Å; S93-E95 PolarHBondContact O-N 3.43Å
94N52.1Low57.3Low81 Ų8181.2 Ų81.243%0.43341%0.413SS..SBendtrans45.117.5167-74.4-7.4000118.1N39 I96N39-N94 VanDerWaalsContact CB-OD1 3.32Å; N39-N94 WeakPolarHBondContact CB-OD1 3.48Å; N39-N94 PolarHBondContact O-ND2 3.06Å; N39-N94 PolarHBondContact O-OD1 3.24Å; N94-I96 PolarHBondContact O-N 3.14Å
95E65.8Low60.5Low81 Ų8173.8 Ų73.838%0.37937%0.373SS..  trans-70.8119.3-174.2-82.3-166.2153.500109.9P35 S93 Y97 R1213P35-E95 VanDerWaalsContact CD-O 3.31Å; P35-E95 WeakPolarHBondContact CD-O 3.47Å; S93-E95 PolarHBondContact O-N 3.43Å; E95-Y97 HydrophobicContact CB-CE1 4.34Å; E95-R1213 IonicContact OE1-NH1 2.73Å; E95-R1213 PolarHBondContact OE1-NH1 2.81Å
96I83.8Confident63.4Low49 Ų4967.5 Ų67.525%0.25135%0.345SS..  trans-82.2115.7169.3-59.6162000107.2W32 H33 V34 F40 N94 T98 F415W32-I96 HydrophobicContact CB-CG2 3.98Å; W32-I96 HydrophobicContact CG-CG2 4.35Å; H33-I96 CarbonylContact O-C 3.57Å; H33-I96 WeakPolarHBondContact O-CA 3.4Å; V34-I96 HydrophobicContact CG2-CG1 4.38Å; V34-I96 HydrophobicContact CG2-CG2 4.44Å; F40-I96 HydrophobicContact CE2-CD1 3.86Å; F40-I96 HydrophobicContact CE2-CG1 4.33Å; F40-I96 HydrophobicContact CZ-CD1 4.39Å; N94-I96 PolarHBondContact O-N 3.14Å; I96-T98 HydrophobicContact CG2-CG2 4.32Å; I96-F415 HydrophobicContact CD1-CE1 4.07Å; I96-F415 HydrophobicContact CD1-CE2 4.44Å; I96-F415 HydrophobicContact CD1-CZ 3.51Å; I96-F415 HydrophobicContact CG1-CZ 3.98Å; I96-F415 HydrophobicContact CG2-CE1 4.02Å; I96-F415 HydrophobicContact CG2-CZ 3.87Å
97Y87.9Confident66.3Low102 Ų10262.7 Ų62.740%0.432%0.323SS..EExtended strand (participates in β ladder)trans-82.5139.3173.8-59.8-65.2000110.6W32 H33 P35 E95W32-Y97 CarbonylContact C-O 3.55Å; W32-Y97 WeakPolarHBondContact CA-O 3.27Å; H33-Y97 PolarHBondContact N-O 3.37Å; H33-Y97 AromaticContact ND1-CD2 3.69Å; H33-Y97 PolarHBondContact O-N 3.04Å; P35-Y97 HydrophobicContact CG-CD2 3.62Å; P35-Y97 HydrophobicContact CG-CE2 3.45Å; P35-Y97 VanDerWaalsContact CG-CE2 3.45Å; E95-Y97 HydrophobicContact CB-CE1 4.34Å
98T91Very high69.2Low86 Ų8658 Ų5853%0.52830%0.299SS..EExtended strand (participates in β ladder)trans-126141.8-178.7690000112.3I31 W32 I96I31-T98 WeakPolarHBondContact O-CA 3.37Å; W32-T98 VanDerWaalsContact CD1-CG2 3.46Å; W32-T98 HydrophobicContact CG-CG2 4.44Å; I96-T98 HydrophobicContact CG2-CG2 4.32Å
99M90.8Very high72.2Confident25 Ų2553.8 Ų53.812%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-133.6132.1178.3-164.790.614700109.2A30 I31 K103 L104 A107 I164 V168A30-M99 WeakPolarHBondContact CA-O 3.49Å; A30-M99 WeakPolarHBondContact CB-O 3.44Å; A30-M99 PolarHBondContact N-O 3.21Å; I31-M99 HydrophobicContact CB-CB 4.24Å; I31-M99 PolarHBondContact N-O 2.82Å; I31-M99 VanDerWaalsContact N-O 3.09Å; I31-M99 PolarHBondContact O-N 3.01Å; I31-M99 VanDerWaalsContact O-N 3.08Å; M99-K103 WeakPolarHBondContact CE-O 3.44Å; M99-K103 HydrophobicContact CG-CB 4.22Å; M99-K103 HydrophobicContact SD-CB 4.1Å; M99-L104 VanDerWaalsContact CE-CA 3.48Å; M99-L104 HydrophobicContact CE-CB 4.35Å; M99-L104 HydrophobicContact CE-CD1 4.14Å; M99-L104 HydrophobicContact CG-CB 3.85Å; M99-L104 HydrophobicContact CG-CD1 4.36Å; M99-A107 HydrophobicContact CE-CB 3.44Å; M99-A107 VanDerWaalsContact CE-CB 3.44Å; M99-I164 HydrophobicContact CB-CD1 4.17Å; M99-I164 HydrophobicContact CB-CG2 4.5Å; M99-I164 HydrophobicContact CE-CG2 3.8Å; M99-I164 HydrophobicContact CG-CG2 4.35Å; M99-I164 HydrophobicContact SD-CG2 3.78Å; M99-V168 HydrophobicContact CE-CG2 3.76Å
100T91.3Very high75.1Confident30 Ų3055.6 Ų55.618%0.18428%0.276CS..EExtended strand (participates in β ladder)trans-84.2162.2171.566.20000111.1T27 S28 L102 K103 L104T27-T100 WeakPolarHBondContact O-CG2 3.39Å; S28-T100 WeakPolarHBondContact O-CA 3.27Å; S28-T100 VanDerWaalsContact O-CB 3.3Å; S28-T100 WeakPolarHBondContact O-CB 3.49Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.14Å; T100-K103 PolarHBondContact O-N 3.26Å; T100-K103 WeakPolarHBondContact OG1-CB 3.42Å; T100-K103 WeakPolarHBondContact OG1-CG 3.18Å; T100-K103 PolarHBondContact OG1-N 3.01Å; T100-L104 WeakPolarHBondContact O-CB 3.39Å; T100-L104 PolarHBondContact O-N 3.37Å
101F89.9Confident78.1Confident0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-56.1-44.2176.7-77.6-76.3000112.5L17 L20 I25 C26 S28 A30 L104 N105 L382 G385L17-F101 HydrophobicContact CD1-CD1 3.79Å; L17-F101 HydrophobicContact CD1-CE1 4.41Å; L20-F101 HydrophobicContact CD1-CD1 4.2Å; L20-F101 HydrophobicContact CD1-CE1 4.07Å; I25-F101 HydrophobicContact CD1-CD2 4.32Å; I25-F101 HydrophobicContact CD1-CE2 4.19Å; C26-F101 PolarHBondContact O-N 3.04Å; S28-F101 PolarHBondContact O-N 2.74Å; A30-F101 HydrophobicContact CB-CB 4.45Å; A30-F101 HydrophobicContact CB-CD1 3.71Å; A30-F101 HydrophobicContact CB-CD2 3.79Å; A30-F101 HydrophobicContact CB-CE1 3.7Å; A30-F101 HydrophobicContact CB-CE2 3.8Å; A30-F101 HydrophobicContact CB-CG 3.74Å; A30-F101 HydrophobicContact CB-CZ 3.74Å; F101-L104 PolarHBondContact O-N 2.85Å; F101-N105 PolarHBondContact O-N 3.27Å; F101-L382 HydrophobicContact CE1-CD2 4.19Å; F101-L382 VanDerWaalsContact CE1-O 3.27Å; F101-L382 WeakPolarHBondContact CE1-O 3.43Å; F101-G385 VanDerWaalsContact CZ-C 3.5Å
102L87.9Confident80.9Confident64 Ų6445.8 Ų45.834%0.33523%0.226SC..Hα-helixtrans-63.1-46.6177.2-178.562.5000111.8C26 T100 L104 N105 N106C26-L102 HydrophobicContact CB-CB 4.35Å; C26-L102 VanDerWaalsContact O-CB 3.27Å; C26-L102 WeakPolarHBondContact O-CB 3.48Å; C26-L102 PolarHBondContact O-N 3.43Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.14Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.48Å; L102-N105 PolarHBondContact O-N 3.32Å; L102-N106 WeakPolarHBondContact O-CB 3.47Å; L102-N106 PolarHBondContact O-N 3.02Å; L102-N106 PolarHBondContact O-ND2 3Å; L102-N106 PolarHBondContact O-OD1 3.14Å
103K89.2Confident83.5Confident135 Ų13540.2 Ų40.259%0.58720%0.2SC*.Hα-helixtrans-63.4-40.3178.3-75.1-178.6177.9-1770111.3M99 T100 N106 A107M99-K103 WeakPolarHBondContact CE-O 3.44Å; M99-K103 HydrophobicContact CG-CB 4.22Å; M99-K103 HydrophobicContact SD-CB 4.1Å; T100-K103 PolarHBondContact O-N 3.26Å; T100-K103 WeakPolarHBondContact OG1-CB 3.42Å; T100-K103 WeakPolarHBondContact OG1-CG 3.18Å; T100-K103 PolarHBondContact OG1-N 3.01Å; K103-N106 PolarHBondContact O-N 3.11Å; K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.06Å
104L91.1Very high85.8Confident0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-58.3-52.5176.7-17860.2000111.6L17 A30 I31 M99 T100 F101 L102 N106 A107 A108 I167 V168 I171 L382L17-L104 HydrophobicContact CD1-CD2 4.38Å; L17-L104 HydrophobicContact CD2-CD2 4.44Å; L17-L104 HydrophobicContact CD2-CG 4.45Å; A30-L104 HydrophobicContact CB-CD2 4.4Å; I31-L104 HydrophobicContact CD1-CD1 3.92Å; I31-L104 HydrophobicContact CD1-CD2 3.87Å; I31-L104 HydrophobicContact CD1-CG 4.49Å; M99-L104 VanDerWaalsContact CE-CA 3.48Å; M99-L104 HydrophobicContact CE-CB 4.35Å; M99-L104 HydrophobicContact CE-CD1 4.14Å; M99-L104 HydrophobicContact CG-CB 3.85Å; M99-L104 HydrophobicContact CG-CD1 4.36Å; T100-L104 WeakPolarHBondContact O-CB 3.39Å; T100-L104 PolarHBondContact O-N 3.37Å; F101-L104 PolarHBondContact O-N 2.85Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.48Å; L104-N106 PolarHBondContact O-N 3.09Å; L104-A107 PolarHBondContact O-N 3.02Å; L104-A108 WeakPolarHBondContact O-CB 3.42Å; L104-A108 PolarHBondContact O-N 3.17Å; L104-I167 HydrophobicContact CD1-CG2 4.19Å; L104-V168 HydrophobicContact CD1-CG2 3.86Å; L104-I171 HydrophobicContact CD1-CD1 3.81Å; L104-I171 HydrophobicContact CD2-CD1 3.86Å; L104-I171 HydrophobicContact CG-CD1 3.77Å; L104-L382 HydrophobicContact CD2-CD1 4.14Å; L104-L382 HydrophobicContact CD2-CD2 4.4Å
105N90.4Very high87.5Confident0 Ų034.1 Ų34.10%016%0.163CC..Hα-helixtrans-62.2-44.3178.9-171.256.7000112L17 T21 F101 L102 A107 A108 N109 K175 A289L17-N105 HydrophobicContact CD2-CB 4.46Å; L17-N105 HydrophobicContact CG-CB 4.49Å; T21-N105 HydrophobicContact CG2-CB 3.48Å; T21-N105 VanDerWaalsContact CG2-CB 3.48Å; F101-N105 PolarHBondContact O-N 3.27Å; L102-N105 PolarHBondContact O-N 3.32Å; N105-A107 VanDerWaalsContact C-N 3.34Å; N105-A107 PolarHBondContact O-N 3.08Å; N105-A108 PolarHBondContact O-N 3.45Å; N105-N109 VanDerWaalsContact O-CG 3.31Å; N105-N109 PolarHBondContact O-N 3.45Å; N105-K175 WeakPolarHBondContact OD1-CE 3.38Å; N105-K175 PolarHBondContact OD1-NZ 2.82Å; N105-A289 PolarHBondContact ND2-O 2.86Å
106N87.5Confident88.4Confident22 Ų2230.3 Ų30.312%0.11815%0.145CC..Hα-helixtrans-64.2-39.5179.4-67.6-5.4000111.8L102 K103 L104 N109 R110L102-N106 WeakPolarHBondContact O-CB 3.47Å; L102-N106 PolarHBondContact O-N 3.02Å; L102-N106 PolarHBondContact O-ND2 3Å; L102-N106 PolarHBondContact O-OD1 3.14Å; K103-N106 PolarHBondContact O-N 3.11Å; L104-N106 PolarHBondContact O-N 3.09Å; N106-N109 PolarHBondContact O-N 2.83Å; N106-R110 WeakPolarHBondContact O-CG 3.29Å; N106-R110 PolarHBondContact O-N 3.15Å; N106-R110 VanDerWaalsContact O-N 3.07Å
107A87.7Confident88.3Confident6 Ų629.6 Ų29.65%0.0514%0.142CC..Hα-helixtrans-64-43.1173.900000111.4M99 K103 L104 N105 N109 R110 V111 V168M99-A107 HydrophobicContact CE-CB 3.44Å; M99-A107 VanDerWaalsContact CE-CB 3.44Å; K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.06Å; L104-A107 PolarHBondContact O-N 3.02Å; N105-A107 VanDerWaalsContact C-N 3.34Å; N105-A107 PolarHBondContact O-N 3.08Å; A107-N109 PolarHBondContact O-N 3.38Å; A107-R110 PolarHBondContact O-N 3.22Å; A107-V111 WeakPolarHBondContact O-CG2 3.26Å; A107-V111 PolarHBondContact O-N 2.97Å; A107-V168 HydrophobicContact CB-CG1 3.91Å; A107-V168 HydrophobicContact CB-CG2 3.86Å
108A90.7Very high88Confident0 Ų026.5 Ų26.50%013%0.13CC..Hα-helixtrans-64.5-39.5177.600000112.1L104 N105 V111 A112 V168 I171 K175L104-A108 WeakPolarHBondContact O-CB 3.42Å; L104-A108 PolarHBondContact O-N 3.17Å; N105-A108 PolarHBondContact O-N 3.45Å; A108-V111 PolarHBondContact O-N 3.24Å; A108-A112 VanDerWaalsContact O-CB 3.24Å; A108-A112 WeakPolarHBondContact O-CB 3.26Å; A108-A112 PolarHBondContact O-N 3.46Å; A108-V168 HydrophobicContact CB-CG1 4.44Å; A108-I171 HydrophobicContact CB-CB 3.8Å; A108-I171 HydrophobicContact CB-CG2 3.47Å; A108-I171 VanDerWaalsContact CB-CG2 3.47Å; A108-K175 HydrophobicContact CB-CD 4.25Å
109N88.3Confident87.5Confident6 Ų622.6 Ų22.63%0.03211%0.106CC..Hα-helixtrans-60.8-46.4174.1-71.2-10.5000111.1N105 N106 A107 V111 A112 M113 K175 T288 I291N105-N109 VanDerWaalsContact O-CG 3.31Å; N105-N109 PolarHBondContact O-N 3.45Å; N106-N109 PolarHBondContact O-N 2.83Å; A107-N109 PolarHBondContact O-N 3.38Å; N109-V111 PolarHBondContact O-N 3.12Å; N109-A112 PolarHBondContact O-N 3.02Å; N109-M113 WeakPolarHBondContact O-CG 2.85Å; N109-M113 PolarHBondContact O-N 3.49Å; N109-K175 WeakPolarHBondContact OD1-CD 3.44Å; N109-K175 WeakPolarHBondContact OD1-CE 3.39Å; N109-K175 PolarHBondContact OD1-NZ 2.84Å; N109-T288 PolarHBondContact ND2-O 3.33Å; N109-I291 HydrophobicContact CB-CG2 4.05Å
110R85.2Confident86.8Confident88 Ų8824.5 Ų24.533%0.33212%0.115SC..Hα-helixtrans-60.3-46.6176.6-72.6-170.4-59.7-93.73.5112.3N106 A107 A112 M113 N114 I286N106-R110 WeakPolarHBondContact O-CG 3.29Å; N106-R110 PolarHBondContact O-N 3.15Å; N106-R110 VanDerWaalsContact O-N 3.07Å; A107-R110 PolarHBondContact O-N 3.22Å; R110-A112 VanDerWaalsContact C-N 3.35Å; R110-M113 PolarHBondContact O-N 2.85Å; R110-N114 PolarHBondContact O-N 3.01Å; R110-I286 HydrophobicContact CG-CG2 4.12Å
111V88.6Confident86Confident0 Ų030.1 Ų30.10%013%0.133CC..Hα-helixtrans-63.4-42.7177.7172.20000110.9A107 A108 N109 M113 N114 L115 V168 V169 A172 Y271 L274 M275A107-V111 WeakPolarHBondContact O-CG2 3.26Å; A107-V111 PolarHBondContact O-N 2.97Å; A108-V111 PolarHBondContact O-N 3.24Å; N109-V111 PolarHBondContact O-N 3.12Å; V111-M113 PolarHBondContact O-N 3.26Å; V111-N114 PolarHBondContact O-N 3.33Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 PolarHBondContact O-N 2.92Å; V111-V168 HydrophobicContact CB-CG1 4.09Å; V111-V168 HydrophobicContact CG2-CG1 3.56Å; V111-V169 HydrophobicContact CG1-CG2 4.2Å; V111-A172 HydrophobicContact CB-CB 3.88Å; V111-A172 HydrophobicContact CG1-CB 3.57Å; V111-Y271 HydrophobicContact CG2-CE2 4.1Å; V111-L274 HydrophobicContact CG1-CD2 4.06Å; V111-M275 HydrophobicContact CG2-CE 4.49Å; V111-M275 HydrophobicContact CG2-SD 3.34Å; V111-M275 WeakPolarHBondContact CG2-SD 3.38Å
112A89.5Confident84.9Confident0 Ų034.3 Ų34.30%015%0.151CC..Hα-helixtrans-59.8-47.1177.400000111.6A108 N109 R110 N114 L115 A116 A172 K175 L176 I291A108-A112 VanDerWaalsContact O-CB 3.24Å; A108-A112 WeakPolarHBondContact O-CB 3.26Å; A108-A112 PolarHBondContact O-N 3.46Å; N109-A112 PolarHBondContact O-N 3.02Å; R110-A112 VanDerWaalsContact C-N 3.35Å; A112-N114 PolarHBondContact O-N 3Å; A112-L115 PolarHBondContact O-N 3.29Å; A112-A116 VanDerWaalsContact O-CB 3.31Å; A112-A116 WeakPolarHBondContact O-CB 3.19Å; A112-A116 PolarHBondContact O-N 2.64Å; A112-A172 HydrophobicContact CB-CB 4Å; A112-K175 HydrophobicContact CB-CB 4.41Å; A112-L176 HydrophobicContact CB-CD1 4.32Å; A112-L176 HydrophobicContact CB-CD2 4.12Å; A112-L176 HydrophobicContact CB-CG 3.96Å; A112-L176 WeakPolarHBondContact O-CD1 2.83Å; A112-I291 HydrophobicContact CB-CD1 4.4Å; A112-I291 HydrophobicContact CB-CG2 4.12Å
113M86.3Confident83.8Confident18 Ų1834.4 Ų34.49%0.08915%0.146CC..Hα-helixtrans-62.7-44177.4-68.1-175.6102.600112.4N109 R110 V111 L115 N117 Y281 V295N109-M113 WeakPolarHBondContact O-CG 2.85Å; N109-M113 PolarHBondContact O-N 3.49Å; R110-M113 PolarHBondContact O-N 2.85Å; V111-M113 PolarHBondContact O-N 3.26Å; M113-L115 VanDerWaalsContact C-N 3.35Å; M113-L115 PolarHBondContact O-N 2.95Å; M113-N117 WeakPolarHBondContact O-CB 3.32Å; M113-N117 PolarHBondContact O-N 2.59Å; M113-Y281 HydrophobicContact CB-CD2 4.49Å; M113-Y281 HydrophobicContact CB-CE2 4.07Å; M113-Y281 HydrophobicContact CE-CD1 3.79Å; M113-Y281 HydrophobicContact CE-CD2 4.24Å; M113-Y281 HydrophobicContact CE-CE1 3.39Å; M113-Y281 HydrophobicContact CE-CE2 3.83Å; M113-Y281 HydrophobicContact CE-CG 4.22Å; M113-Y281 VanDerWaalsContact CE-CZ 3.43Å; M113-Y281 HydrophobicContact SD-CD2 4.32Å; M113-Y281 HydrophobicContact SD-CE2 4.28Å; M113-Y281 HydrophobicContact SD-CG 4.47Å; M113-V295 HydrophobicContact CG-CG1 4.41Å
114N86.7Confident82Confident5 Ų531.5 Ų31.53%0.02714%0.144CC..Hα-helixtrans-65.2-40.3178.2-72.1-12.7000111.9R110 V111 A112 Y118 L274 M275 L277R110-N114 PolarHBondContact O-N 3.01Å; V111-N114 PolarHBondContact O-N 3.33Å; A112-N114 PolarHBondContact O-N 3Å; N114-Y118 VanDerWaalsContact O-CB 3.31Å; N114-Y118 WeakPolarHBondContact O-CB 3.32Å; N114-Y118 PolarHBondContact O-N 2.95Å; N114-L274 HydrophobicContact CB-CG 4.21Å; N114-L274 WeakPolarHBondContact CB-O 3.38Å; N114-L274 PolarHBondContact ND2-O 3.09Å; N114-M275 PolarHBondContact ND2-O 2.79Å; N114-L277 HydrophobicContact CB-CB 4.26Å; N114-L277 HydrophobicContact CB-CD1 4.48Å
115L87.2Confident79.9Confident0 Ų034.7 Ų34.70%017%0.166CC..Hα-helixtrans-67.2-46.2178.2-178.158.4000111.6V111 A112 M113 N117 Y118 L119 I156 L176 L178 L203 L205 L274V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 PolarHBondContact O-N 2.92Å; A112-L115 PolarHBondContact O-N 3.29Å; M113-L115 VanDerWaalsContact C-N 3.35Å; M113-L115 PolarHBondContact O-N 2.95Å; L115-N117 PolarHBondContact O-N 3.01Å; L115-Y118 PolarHBondContact O-N 3.37Å; L115-L119 HydrophobicContact CD1-CD1 3.97Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4.02Å; L115-L119 WeakPolarHBondContact O-CB 3.31Å; L115-L119 VanDerWaalsContact O-CG 3.25Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 2.79Å; L115-I156 HydrophobicContact CD1-CD1 3.82Å; L115-I156 HydrophobicContact CD2-CD1 3.55Å; L115-I156 HydrophobicContact CG-CD1 4.1Å; L115-L176 HydrophobicContact CB-CD1 3.97Å; L115-L176 HydrophobicContact CD2-CD1 3.77Å; L115-L176 HydrophobicContact CG-CD1 3.89Å; L115-L178 HydrophobicContact CD2-CD1 4.25Å; L115-L203 HydrophobicContact CD1-CD2 3.72Å; L115-L205 HydrophobicContact CD1-CD1 4.5Å; L115-L274 HydrophobicContact CB-CD2 4.26Å; L115-L274 HydrophobicContact CD1-CD1 4.37Å
116A84.6Confident77.8Confident0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-57.3-49.9174.300000111A112 Y118 L119 E120 L176 V295A112-A116 VanDerWaalsContact O-CB 3.31Å; A112-A116 WeakPolarHBondContact O-CB 3.19Å; A112-A116 PolarHBondContact O-N 2.64Å; A116-Y118 PolarHBondContact O-N 3.29Å; A116-L119 PolarHBondContact O-N 3.38Å; A116-E120 WeakPolarHBondContact O-CB 3.27Å; A116-E120 WeakPolarHBondContact O-CG 3.24Å; A116-E120 PolarHBondContact O-N 3.15Å; A116-L176 HydrophobicContact CB-CD1 4.36Å; A116-L176 HydrophobicContact CB-CD2 3.86Å; A116-V295 HydrophobicContact CB-CG1 3.59Å
117N81.6Confident75.6Confident34 Ų3435.7 Ų35.718%0.18217%0.171CC..Hα-helixtrans-60.9-42.6177.9-81.2-18.1000113.2M113 L115 L119 R121 Y281M113-N117 WeakPolarHBondContact O-CB 3.32Å; M113-N117 PolarHBondContact O-N 2.59Å; L115-N117 PolarHBondContact O-N 3.01Å; N117-L119 VanDerWaalsContact C-N 3.35Å; N117-R121 WeakPolarHBondContact O-CB 3.43Å; N117-R121 VanDerWaalsContact O-CG 3.31Å; N117-R121 WeakPolarHBondContact O-CG 3.47Å; N117-R121 PolarHBondContact O-N 3.18Å; N117-Y281 VanDerWaalsContact ND2-CE2 3.27Å; N117-Y281 WeakPolarHBondContact ND2-CE2 2.85Å
118Y82.2Confident73.4Confident37 Ų3740 Ų4015%0.14519%0.194CC..Hα-helixtrans-61.9-45.9177.4173.8-99.9000110.9N114 L115 A116 K122 L203 Y269 L274N114-Y118 VanDerWaalsContact O-CB 3.31Å; N114-Y118 WeakPolarHBondContact O-CB 3.32Å; N114-Y118 PolarHBondContact O-N 2.95Å; L115-Y118 PolarHBondContact O-N 3.37Å; A116-Y118 PolarHBondContact O-N 3.29Å; Y118-K122 WeakPolarHBondContact O-CB 3.39Å; Y118-K122 PolarHBondContact O-N 2.84Å; Y118-L203 HydrophobicContact CD1-CD2 4.29Å; Y118-L203 HydrophobicContact CE1-CD1 3.78Å; Y118-L203 HydrophobicContact CE1-CD2 4.11Å; Y118-Y269 HydrophobicContact CD2-CE2 4.09Å; Y118-Y269 HydrophobicContact CE1-CD2 4.48Å; Y118-Y269 AromaticContact CE2-CD2 3.69Å; Y118-Y269 HydrophobicContact CE2-CD2 3.69Å; Y118-Y269 AromaticContact CE2-CE2 3.45Å; Y118-Y269 HydrophobicContact CE2-CE2 3.45Å; Y118-Y269 VanDerWaalsContact CE2-CE2 3.45Å; Y118-Y269 HydrophobicContact CE2-CG 4.42Å; Y118-Y269 AromaticContact CE2-CZ 3.99Å; Y118-Y269 AromaticContact CZ-CD2 3.64Å; Y118-Y269 AromaticContact CZ-CE2 3.93Å; Y118-Y269 WeakPolarHBondContact OH-CD2 3.32Å; Y118-L274 HydrophobicContact CG-CD1 4.36Å
119L81.1Confident71Confident5 Ų542.6 Ų42.63%0.02621%0.205CC..Hα-helixtrans-65.6-49.5178-67.3173.2000110.5L115 A116 N117 R121 K122 W123 I156 L178 I202 L297L115-L119 HydrophobicContact CD1-CD1 3.97Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4.02Å; L115-L119 WeakPolarHBondContact O-CB 3.31Å; L115-L119 VanDerWaalsContact O-CG 3.25Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 2.79Å; A116-L119 PolarHBondContact O-N 3.38Å; N117-L119 VanDerWaalsContact C-N 3.35Å; L119-R121 PolarHBondContact O-N 3Å; L119-K122 CarbonylContact O-C 3.59Å; L119-K122 PolarHBondContact O-N 3.34Å; L119-W123 HydrophobicContact CD2-CE3 4.02Å; L119-W123 HydrophobicContact CD2-CZ3 3.83Å; L119-W123 VanDerWaalsContact O-CB 3.24Å; L119-W123 WeakPolarHBondContact O-CB 3.4Å; L119-W123 PolarHBondContact O-N 3.43Å; L119-I156 HydrophobicContact CD1-CD1 4.4Å; L119-L178 HydrophobicContact CD1-CD1 3.98Å; L119-I202 HydrophobicContact CD1-CD1 4.21Å; L119-I202 HydrophobicContact CD2-CD1 3.97Å; L119-L297 HydrophobicContact CB-CD1 4.47Å; L119-L297 HydrophobicContact CD1-CD1 3.6Å
120E75.5Confident69Low64 Ų6443.7 Ų43.730%0.29921%0.21SC..Hα-helixtrans-57.3-46.8179.1-80.3-175.9176.400114A116 K122 W123 S124 T127 L297A116-E120 WeakPolarHBondContact O-CB 3.27Å; A116-E120 WeakPolarHBondContact O-CG 3.24Å; A116-E120 PolarHBondContact O-N 3.15Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.22Å; E120-W123 CarbonylContact O-C 3.57Å; E120-W123 VanDerWaalsContact O-C 3.28Å; E120-W123 PolarHBondContact O-N 2.91Å; E120-S124 WeakPolarHBondContact O-CA 3.44Å; E120-S124 PolarHBondContact O-N 2.82Å; E120-T127 HydrophobicContact CG-CG2 4.05Å; E120-L297 HydrophobicContact CG-CD2 4.49Å
121R74Confident66.8Low149 Ų14942.8 Ų42.856%0.56221%0.212SC*.Hα-helixtrans-61.5-39.1179.2-75.2177.1-179-176.41111.8N117 L119N117-R121 WeakPolarHBondContact O-CB 3.43Å; N117-R121 VanDerWaalsContact O-CG 3.31Å; N117-R121 WeakPolarHBondContact O-CG 3.47Å; N117-R121 PolarHBondContact O-N 3.18Å; L119-R121 PolarHBondContact O-N 3Å
122K67.1Low64.4Low87 Ų8750.9 Ų50.938%0.37824%0.243SC..Hα-helixtrans-80.5-25.3-178.2-153.2-149.7170.9-158.30111.9Y118 L119 E120 K267Y118-K122 WeakPolarHBondContact O-CB 3.39Å; Y118-K122 PolarHBondContact O-N 2.84Å; L119-K122 CarbonylContact O-C 3.59Å; L119-K122 PolarHBondContact O-N 3.34Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.22Å; K122-K267 HydrophobicContact CD-CD 4.34Å; K122-K267 VanDerWaalsContact CE-NZ 3.3Å; K122-K267 VanDerWaalsContact NZ-CE 3.3Å
123W65.8Low62Low66 Ų6653.9 Ų53.925%0.2526%0.261CS..THydrogen-bonded Turntrans-110.929.1180-106.2-52.6000113.6L119 E120 S125 I126 T127 I202L119-W123 HydrophobicContact CD2-CE3 4.02Å; L119-W123 HydrophobicContact CD2-CZ3 3.83Å; L119-W123 VanDerWaalsContact O-CB 3.24Å; L119-W123 WeakPolarHBondContact O-CB 3.4Å; L119-W123 PolarHBondContact O-N 3.43Å; E120-W123 CarbonylContact O-C 3.57Å; E120-W123 VanDerWaalsContact O-C 3.28Å; E120-W123 PolarHBondContact O-N 2.91Å; W123-S125 CarbonylContact O-C 3.52Å; W123-S125 PolarHBondContact O-N 2.79Å; W123-I126 HydrophobicContact CB-CB 4.38Å; W123-I126 HydrophobicContact CG-CB 4.1Å; W123-I126 HydrophobicContact CG-CD1 4.39Å; W123-I126 HydrophobicContact CG-CG1 4.39Å; W123-I126 PolarHBondContact O-N 2.95Å; W123-T127 PolarHBondContact O-N 2.94Å; W123-T127 PolarHBondContact O-OG1 3.1Å; W123-I202 HydrophobicContact CH2-CB 3.46Å; W123-I202 VanDerWaalsContact CH2-CB 3.46Å; W123-I202 HydrophobicContact CH2-CD1 4.44Å; W123-I202 HydrophobicContact CH2-CG2 3.43Å; W123-I202 VanDerWaalsContact CH2-CG2 3.43Å; W123-I202 HydrophobicContact CZ2-CG2 4.16Å; W123-I202 HydrophobicContact CZ3-CB 3.82Å; W123-I202 HydrophobicContact CZ3-CD1 4.01Å; W123-I202 HydrophobicContact CZ3-CG2 4.14Å
124S50.8Low59.9Low75 Ų7559.1 Ų59.152%0.52429%0.285SS..THydrogen-bonded Turntrans-54.6-15.1-179.449.50000114.2E120 N128E120-S124 WeakPolarHBondContact O-CA 3.44Å; E120-S124 PolarHBondContact O-N 2.82Å; S124-N128 PolarHBondContact O-ND2 2.88Å
125S47.4Very low57.5Low66 Ų6665.6 Ų65.646%0.46232%0.319SS..THydrogen-bonded Turntrans-83.7-22.8169.5-170.30000116.4W123 I146W123-S125 CarbonylContact O-C 3.52Å; W123-S125 PolarHBondContact O-N 2.79Å; S125-I146 WeakPolarHBondContact OG-CD1 3.45Å
126I45.7Very low54.9Low23 Ų2370.7 Ų70.712%0.11835%0.347CS..THydrogen-bonded Turntrans-102.3-45.4-177.5-68.4-168000112W123 N128 K129 I130 I146W123-I126 HydrophobicContact CB-CB 4.38Å; W123-I126 HydrophobicContact CG-CB 4.1Å; W123-I126 HydrophobicContact CG-CD1 4.39Å; W123-I126 HydrophobicContact CG-CG1 4.39Å; W123-I126 PolarHBondContact O-N 2.95Å; I126-N128 PolarHBondContact O-N 2.85Å; I126-K129 CarbonylContact O-C 3.59Å; I126-K129 WeakPolarHBondContact O-CA 3.32Å; I126-K129 WeakPolarHBondContact O-CB 3.23Å; I126-K129 PolarHBondContact O-N 3.34Å; I126-I130 HydrophobicContact CG2-CD1 3.46Å; I126-I130 VanDerWaalsContact CG2-CD1 3.46Å; I126-I130 HydrophobicContact CG2-CG1 3.92Å; I126-I130 PolarHBondContact O-N 2.82Å; I126-I146 HydrophobicContact CD1-CG2 4.36Å; I126-I146 HydrophobicContact CG1-CG2 3.97Å
127T41.8Very low52.5Low20 Ų2079.2 Ų79.212%0.12339%0.386CS..Hα-helixtrans-69.8-32.6-176.28.10000113.1E120 W123 K129 N131 L297E120-T127 HydrophobicContact CG-CG2 4.05Å; W123-T127 PolarHBondContact O-N 2.94Å; W123-T127 PolarHBondContact O-OG1 3.1Å; T127-K129 PolarHBondContact O-N 3.31Å; T127-N131 PolarHBondContact O-N 2.87Å; T127-L297 HydrophobicContact CG2-CD2 3.93Å
128N41.2Very low50.1Low98 Ų9885.4 Ų85.452%0.52441%0.414SS..Hα-helixtrans-67.3-17.5169.6-85.7-35.1000113.2S124 I126 R132S124-N128 PolarHBondContact O-ND2 2.88Å; I126-N128 PolarHBondContact O-N 2.85Å; N128-R132 WeakPolarHBondContact O-CB 3.36Å; N128-R132 WeakPolarHBondContact O-CD 3.04Å; N128-R132 WeakPolarHBondContact O-CG 3.33Å
129K41.1Very low47.5Very low54 Ų5488.6 Ų88.624%0.23544%0.442CS..Hα-helixtrans-92.8-48.2174.4-96178.8174.3179.50111.6I126 T127 N131 R132 T133I126-K129 CarbonylContact O-C 3.59Å; I126-K129 WeakPolarHBondContact O-CA 3.32Å; I126-K129 WeakPolarHBondContact O-CB 3.23Å; I126-K129 PolarHBondContact O-N 3.34Å; T127-K129 PolarHBondContact O-N 3.31Å; K129-N131 VanDerWaalsContact C-N 3.3Å; K129-N131 PolarHBondContact O-N 2.88Å; K129-R132 CarbonylContact O-C 3.59Å; K129-R132 PolarHBondContact O-N 2.99Å; K129-T133 PolarHBondContact O-N 2.74Å; K129-T133 PolarHBondContact O-OG1 2.93Å
130I44.7Very low45.2Very low28 Ų2895.8 Ų95.814%0.14448%0.479CS..Hα-helixtrans-54.3-44-179.6-66.7174.8000111.8I126 F298I126-I130 HydrophobicContact CG2-CD1 3.46Å; I126-I130 VanDerWaalsContact CG2-CD1 3.46Å; I126-I130 HydrophobicContact CG2-CG1 3.92Å; I126-I130 PolarHBondContact O-N 2.82Å; I130-F298 HydrophobicContact CD1-CE1 4.3Å
131N38.9Very low43.1Very low69 Ų6998 Ų9837%0.36950%0.502SS..Hα-helixtrans-76.6-17.8177.1-81.8-23.1000114.3T127 K129T127-N131 PolarHBondContact O-N 2.87Å; K129-N131 VanDerWaalsContact C-N 3.3Å; K129-N131 PolarHBondContact O-N 2.88Å
132R38.2Very low41.1Very low170 Ų17096.3 Ų96.364%0.64250%0.503SS*.Hα-helixtrans-98.1-29.7179.5-79-176.2163.2145.9-5.3113.8N128 K129 L135 N136N128-R132 WeakPolarHBondContact O-CB 3.36Å; N128-R132 WeakPolarHBondContact O-CD 3.04Å; N128-R132 WeakPolarHBondContact O-CG 3.33Å; K129-R132 CarbonylContact O-C 3.59Å; K129-R132 PolarHBondContact O-N 2.99Å; R132-L135 PolarHBondContact O-N 2.78Å; R132-N136 PolarHBondContact O-N 2.91Å; R132-N136 VanDerWaalsContact O-N 3.12Å
133T40.8Very low39.4Very low63 Ų6399.8 Ų99.839%0.38753%0.526SS..Hα-helixtrans-80.2-19.8-176.944.20000114K129K129-T133 PolarHBondContact O-N 2.74Å; K129-T133 PolarHBondContact O-OG1 2.93Å
134Q41.1Very low37.8Very low128 Ų128103.2 Ų103.260%0.59854%0.544SS*.THydrogen-bonded Turntrans-84.2-21.8169.3-82.5-170.2-23.200113.4
135L36.3Very low36.9Very low141 Ų141106.2 Ų106.274%0.73856%0.562SS**THydrogen-bonded Turntrans-85.2-20.5173.4-93.5150.5000113.2R132R132-L135 PolarHBondContact O-N 2.78Å
136N32.5Very low36.5Very low107 Ų107105.6 Ų105.657%0.57255%0.553SS**  trans-125.981.4176.8-74.7-15.4000110.9R132 H138R132-N136 PolarHBondContact O-N 2.91Å; R132-N136 VanDerWaalsContact O-N 3.12Å; N136-H138 PolarHBondContact O-N 2.8Å
137Q34.5Very low36.5Very low179 Ų179111.8 Ų111.884%0.83658%0.581SS**SBendtrans-75.74.5164.1-86.8-172.5-20.300113.4
138H31.5Very low37Very low164 Ų164115.1 Ų115.176%0.75960%0.598SS**SBendtrans-124.6130.5167.9-75.4-70.8000109.8N136N136-H138 PolarHBondContact O-N 2.8Å
139S28.5Very low37.9Very low104 Ų104113.9 Ų113.973%0.72759%0.586SS**  trans69.199.7167.836.30000118.1
140L31.4Very low39.7Very low157 Ų157116.1 Ų116.182%0.82260%0.601SS**  177.4120.2118.5-92.3150.4000111.5
141S31.3Very low41.7Very low110 Ų110115.1 Ų115.177%0.76960%0.595SS**  trans-70.9121.6166.545.90000110.4
142I32.8Very low43.8Very low114 Ų114113.4 Ų113.459%0.58559%0.589SS**  trans-131.6121.2168.2-60.8177.7000107.8E144I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.91Å; I142-E144 VanDerWaalsContact O-N 3.08Å
143D31.6Very low45.8Very low160 Ų160108.9 Ų108.986%0.85658%0.577SS**SBendtrans-80.449-172-68.8-45.2000114.8
144E31.5Very low48.1Very low138 Ų138106.4 Ų106.465%0.64556%0.562SS**SBendtrans-141.7127.5160-80.1-168.8162.200110.2I142 I146I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.91Å; I142-E144 VanDerWaalsContact O-N 3.08Å; E144-I146 VanDerWaalsContact C-N 3.27Å; E144-I146 PolarHBondContact O-N 2.88Å
145P32.2Very low50.5Low137 Ų137100.4 Ų100.489%0.8953%0.534SS*.  trans-7781.617932.5-31.2000109E147P145-E147 PolarHBondContact O-N 3.13Å
146I39.4Very low53.2Low53 Ų5393.7 Ų93.727%0.27250%0.499SS..  trans-79109.2167.4-63.8159.5000106.3S125 I126 E144 L148S125-I146 WeakPolarHBondContact OG-CD1 3.45Å; I126-I146 HydrophobicContact CD1-CG2 4.36Å; I126-I146 HydrophobicContact CG1-CG2 3.97Å; E144-I146 VanDerWaalsContact C-N 3.27Å; E144-I146 PolarHBondContact O-N 2.88Å; I146-L148 PolarHBondContact O-N 3.18Å
147E45.9Very low56.1Low153 Ų15388.6 Ų88.672%0.71547%0.471SS*.  trans-51.7102.1176.1-77.3-176.715900110.2P145 R149P145-E147 PolarHBondContact O-N 3.13Å; E147-R149 PolarHBondContact O-N 2.82Å
148L50.7Low59Low90 Ų9080 Ų8047%0.47143%0.432SS..  trans-63.5104.8165.9-114.492.8000107I146I146-L148 PolarHBondContact O-N 3.18Å
149R61.4Low61.9Low73 Ų7372.2 Ų72.228%0.27540%0.396SS..  trans-76.5124.3173.4-77.6-165.2177.8-147.36109.8E147 D153 K200E147-R149 PolarHBondContact O-N 2.82Å; R149-D153 PolarHBondContact NH1-O 3.03Å; R149-K200 PolarHBondContact NH1-O 2.77Å
150N78.7Confident64.8Low101 Ų10167.5 Ų67.554%0.5436%0.362SS..  trans-72.8159.7172.3-68-29000110.8S152 D153 T154N150-S152 PolarHBondContact O-N 2.85Å; N150-S152 VanDerWaalsContact O-N 3.14Å; N150-D153 PolarHBondContact O-N 2.84Å; N150-T154 PolarHBondContact O-N 3.47Å; N150-T154 PolarHBondContact O-OG1 2.89Å
151Q87.2Confident67.5Low7 Ų760.6 Ų60.63%0.03333%0.326CS..G310 helixtrans-52-38.3177.2-170.2-80.7-29.900111.7D153 T154 H177 F298 E301 P304 I305Q151-D153 PolarHBondContact O-N 2.88Å; Q151-T154 PolarHBondContact O-N 3.41Å; Q151-H177 WeakPolarHBondContact CG-O 3.14Å; Q151-H177 PolarHBondContact NE2-O 3.17Å; Q151-F298 HydrophobicContact CB-CB 4.39Å; Q151-F298 HydrophobicContact CB-CD1 3.82Å; Q151-F298 HydrophobicContact CB-CD2 4.24Å; Q151-F298 HydrophobicContact CB-CE1 4.13Å; Q151-F298 HydrophobicContact CB-CG 3.88Å; Q151-F298 HydrophobicContact CB-CZ 4.47Å; Q151-F298 HydrophobicContact CG-CB 3.99Å; Q151-F298 HydrophobicContact CG-CD1 4.2Å; Q151-F298 HydrophobicContact CG-CD2 3.8Å; Q151-F298 HydrophobicContact CG-CE2 4.35Å; Q151-F298 HydrophobicContact CG-CG 3.72Å; Q151-E301 HydrophobicContact CB-CG 4.37Å; Q151-E301 HydrophobicContact CG-CB 4.43Å; Q151-E301 HydrophobicContact CG-CG 4.05Å; Q151-P304 HydrophobicContact CG-CB 4.34Å; Q151-I305 PolarHBondContact NE2-O 3.11Å
152S82.2Confident70Confident33 Ų3355.9 Ų55.923%0.23129%0.293CS..G310 helixtrans-64.4-21-179.457.50000115.2N150 I305 K323N150-S152 PolarHBondContact O-N 2.85Å; N150-S152 VanDerWaalsContact O-N 3.14Å; S152-I305 VanDerWaalsContact CB-CD1 3.49Å; S152-K323 WeakPolarHBondContact O-CE 3.37Å; S152-K323 PolarHBondContact O-NZ 3.45Å
153D80.7Confident72.8Confident74 Ų7450.8 Ų50.840%0.39627%0.269SS..G310 helixtrans-111.45.3-178.7-59.6-36.8000112.4R149 N150 Q151 V155 K323R149-D153 PolarHBondContact NH1-O 3.03Å; N150-D153 PolarHBondContact O-N 2.84Å; Q151-D153 PolarHBondContact O-N 2.88Å; D153-V155 PolarHBondContact O-N 3.48Å; D153-K323 IonicContact OD1-NZ 3.23Å; D153-K323 PolarHBondContact OD1-NZ 3.16Å
154T88.3Confident75.6Confident12 Ų1244.1 Ų44.17%0.07423%0.233CC..  trans-101.384.6179.6-52.90000109.6N150 Q151 L178 I202 F298N150-T154 PolarHBondContact O-N 3.47Å; N150-T154 PolarHBondContact O-OG1 2.89Å; Q151-T154 PolarHBondContact O-N 3.41Å; T154-L178 HydrophobicContact CG2-CD2 3.6Å; T154-I202 HydrophobicContact CG2-CD1 3.53Å; T154-I202 HydrophobicContact CG2-CG1 4.13Å; T154-I202 HydrophobicContact CG2-CG2 4.23Å; T154-F298 HydrophobicContact CG2-CE2 3.83Å; T154-F298 HydrophobicContact CG2-CZ 3.92Å; T154-F298 WeakPolarHBondContact OG1-CZ 3.46Å
155V91.3Very high78.5Confident1 Ų140.9 Ų40.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-114.1132-172.8-173.10000111.7D153 A179 M181 L199 P201 I202 V308D153-V155 PolarHBondContact O-N 3.48Å; V155-A179 WeakPolarHBondContact CA-O 3.28Å; V155-A179 HydrophobicContact CG1-CB 4.46Å; V155-A179 HydrophobicContact CG2-CB 4.03Å; V155-M181 HydrophobicContact CG1-CB 3.67Å; V155-L199 HydrophobicContact CB-CD2 3.88Å; V155-L199 HydrophobicContact CG1-CD2 3.66Å; V155-L199 HydrophobicContact CG2-CD2 3.82Å; V155-L199 HydrophobicContact CG2-CG 4.25Å; V155-P201 CarbonylContact O-C 3.57Å; V155-P201 WeakPolarHBondContact O-CA 3.47Å; V155-P201 VanDerWaalsContact O-CB 3.27Å; V155-P201 WeakPolarHBondContact O-CB 3.31Å; V155-I202 WeakPolarHBondContact O-CG1 3.38Å; V155-I202 PolarHBondContact O-N 3.26Å; V155-V308 HydrophobicContact CG1-CG2 4.27Å; V155-V308 HydrophobicContact CG2-CG2 4.12Å
156I93.3Very high81.4Confident0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-96.7121.8169.4-62.4-169.3000109.7L115 L119 L158 L178 A179 Y180 M181 I202 L203 L205L115-I156 HydrophobicContact CD1-CD1 3.82Å; L115-I156 HydrophobicContact CD2-CD1 3.55Å; L115-I156 HydrophobicContact CG-CD1 4.1Å; L119-I156 HydrophobicContact CD1-CD1 4.4Å; I156-L158 HydrophobicContact CG2-CD2 3.78Å; I156-L178 HydrophobicContact CD1-CD1 3.72Å; I156-L178 HydrophobicContact CG1-CD1 4.37Å; I156-A179 PolarHBondContact N-O 3.04Å; I156-Y180 CarbonylContact O-C 3.59Å; I156-Y180 VanDerWaalsContact O-CA 3.25Å; I156-Y180 WeakPolarHBondContact O-CA 3.25Å; I156-M181 PolarHBondContact O-N 3.09Å; I156-I202 HydrophobicContact CG1-CD1 4.07Å; I156-I202 HydrophobicContact CG1-CG1 4.14Å; I156-L203 HydrophobicContact CD1-CD2 4.39Å; I156-L203 HydrophobicContact CG1-CB 4.43Å; I156-L205 HydrophobicContact CG2-CB 4.47Å; I156-L205 HydrophobicContact CG2-CD1 3.93Å; I156-L205 HydrophobicContact CG2-CG 4.04Å
157A94.5Very high84Confident0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-81.4133.2171.400000110.3M181 L183 P201 L203 I204 L205A157-M181 CarbonylContact C-O 3.58Å; A157-M181 WeakPolarHBondContact CA-O 3.38Å; A157-M181 HydrophobicContact CB-CE 3.53Å; A157-L183 HydrophobicContact CB-CD1 3.84Å; A157-L183 HydrophobicContact CB-CG 4.32Å; A157-P201 HydrophobicContact CB-CB 3.95Å; A157-P201 HydrophobicContact CB-CG 3.91Å; A157-L203 PolarHBondContact N-O 3.32Å; A157-I204 HydrophobicContact CB-CB 4.35Å; A157-I204 HydrophobicContact CB-CG1 3.76Å; A157-I204 WeakPolarHBondContact O-CA 3.31Å; A157-L205 PolarHBondContact O-N 3.24Å
158L94.9Very high86.3Confident0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-110.5103.3179-55.6-175.4000109.7I156 V169 Q170 Y180 M181 L183 L205I156-L158 HydrophobicContact CG2-CD2 3.78Å; L158-V169 HydrophobicContact CD1-CG1 4.24Å; L158-V169 HydrophobicContact CD2-CG1 3.45Å; L158-V169 VanDerWaalsContact CD2-CG1 3.45Å; L158-Q170 HydrophobicContact CD1-CG 3.73Å; L158-Y180 HydrophobicContact CD1-CD2 3.74Å; L158-Y180 HydrophobicContact CD1-CG 4.04Å; L158-M181 PolarHBondContact N-O 3.34Å; L158-L183 PolarHBondContact O-N 3.08Å; L158-L205 HydrophobicContact CD2-CB 4.07Å; L158-L205 HydrophobicContact CD2-CD1 4.19Å
159F92Very high88.4Confident0 Ų020.5 Ų20.50%011%0.109CC..EExtended strand (participates in β ladder)trans-101.273.1172.8-164.2-118.8000109.4L183 R185 I192 I204 L205 I206 D207 Y210 I214 L254 L257 F261F159-L183 HydrophobicContact CB-CB 4.38Å; F159-L183 HydrophobicContact CD2-CB 3.72Å; F159-R185 HydrophobicContact CE2-CB 4.07Å; F159-R185 HydrophobicContact CZ-CB 3.92Å; F159-I192 HydrophobicContact CE2-CD1 4.14Å; F159-I204 HydrophobicContact CB-CG2 4.2Å; F159-L205 PolarHBondContact N-O 3.21Å; F159-I206 HydrophobicContact CB-CG1 4.47Å; F159-I206 HydrophobicContact CD1-CD1 3.69Å; F159-I206 HydrophobicContact CD1-CG1 3.9Å; F159-I206 HydrophobicContact CE1-CD1 4.34Å; F159-I206 WeakPolarHBondContact O-CA 3.33Å; F159-D207 PolarHBondContact O-N 3.45Å; F159-Y210 AromaticContact CD1-CD2 3.88Å; F159-Y210 HydrophobicContact CD1-CD2 3.88Å; F159-Y210 AromaticContact CE1-CD2 3.89Å; F159-Y210 HydrophobicContact CE1-CD2 3.89Å; F159-Y210 HydrophobicContact CE1-CG 4.32Å; F159-Y210 HydrophobicContact CG-CD2 4.49Å; F159-Y210 WeakPolarHBondContact O-CD2 3.39Å; F159-I214 HydrophobicContact CE1-CD1 4.23Å; F159-L254 HydrophobicContact CE1-CD2 4.18Å; F159-L254 HydrophobicContact CZ-CD2 4.34Å; F159-L257 HydrophobicContact CE1-CD1 4.32Å; F159-L257 HydrophobicContact CE2-CD1 4.34Å; F159-L257 HydrophobicContact CZ-CD1 3.63Å; F159-F261 HydrophobicContact CD1-CE2 4.15Å; F159-F261 HydrophobicContact CD1-CZ 4.11Å; F159-F261 HydrophobicContact CE1-CE2 4.41Å; F159-F261 HydrophobicContact CE1-CZ 4.44Å; F159-F261 HydrophobicContact CG-CZ 4.25Å
160M90.3Very high90.1Very high4 Ų417.2 Ų17.22%0.0210%0.097CC..  trans-134.1144.1-172-59-178.67600110.8D165 R166 V169 D207 Y271M160-D165 HydrophobicContact CE-CB 3.93Å; M160-R166 HydrophobicContact CB-CB 4.19Å; M160-R166 HydrophobicContact CB-CG 4.36Å; M160-R166 PolarHBondContact O-NH1 2.73Å; M160-V169 HydrophobicContact CE-CG2 4.27Å; M160-V169 HydrophobicContact SD-CB 4.46Å; M160-V169 HydrophobicContact SD-CG2 4.06Å; M160-D207 HydrophobicContact CB-CB 4.31Å; M160-D207 HydrophobicContact CG-CB 4.25Å; M160-Y271 HydrophobicContact CE-CD1 3.99Å; M160-Y271 HydrophobicContact CE-CD2 4.07Å; M160-Y271 HydrophobicContact CE-CE1 4.49Å; M160-Y271 HydrophobicContact CE-CG 3.75Å
161P86.7Confident90.8Very high12 Ų1212.6 Ų12.68%0.0787%0.072CC..  trans-62.7165.7173.525.8-30.5000111.8G163 R166 D207 Y210P161-G163 PolarHBondContact O-N 3.46Å; P161-R166 WeakPolarHBondContact O-CD 3.18Å; P161-D207 HydrophobicContact CG-CB 4.3Å; P161-Y210 HydrophobicContact CB-CE2 4.43Å; P161-Y210 WeakPolarHBondContact CB-OH 3.48Å; P161-Y210 HydrophobicContact CG-CE2 4.46Å
162P85.3Confident91.1Very high12 Ų1212.3 Ų12.38%0.0787%0.071CC..SBendtrans-55.6132.7162.8-1729.1000110.6H33 W369 V390 S398H33-P162 PolarHBondContact NE2-O 2.71Å; H33-P162 VanDerWaalsContact NE2-O 3.08Å; P162-W369 HydrophobicContact CB-CZ2 4.35Å; P162-V390 HydrophobicContact CB-CG1 4.43Å; P162-S398 WeakPolarHBondContact CB-OG 3.3Å; P162-S398 WeakPolarHBondContact CG-OG 3.44Å
163G89.7Confident91.7Very high6 Ų610.7 Ų10.76%0.0626%0.06CC..SBendtrans160.7177.1178.300000114.6H33 P161 D165 R166 I167H33-G163 VanDerWaalsContact CE1-CA 3.49Å; H33-G163 WeakPolarHBondContact CE1-CA 3.28Å; H33-G163 WeakPolarHBondContact NE2-CA 3.07Å; P161-G163 PolarHBondContact O-N 3.46Å; G163-D165 PolarHBondContact O-N 2.91Å; G163-R166 PolarHBondContact O-N 3.37Å; G163-I167 WeakPolarHBondContact O-CG1 3.41Å; G163-I167 PolarHBondContact O-N 3.38Å
164I91.5Very high92.3Very high20 Ų207.5 Ų7.510%0.1034%0.042CC..Hα-helixtrans-59.3-44.8-176.9-68167000111.3I31 H33 M99 R166 I167 V168I31-I164 HydrophobicContact CG2-CG1 4.07Å; H33-I164 HydrophobicContact CB-CD1 4.14Å; H33-I164 HydrophobicContact CB-CG1 3.93Å; M99-I164 HydrophobicContact CB-CD1 4.17Å; M99-I164 HydrophobicContact CB-CG2 4.5Å; M99-I164 HydrophobicContact CE-CG2 3.8Å; M99-I164 HydrophobicContact CG-CG2 4.35Å; M99-I164 HydrophobicContact SD-CG2 3.78Å; I164-R166 VanDerWaalsContact C-N 3.32Å; I164-R166 PolarHBondContact O-N 2.77Å; I164-I167 WeakPolarHBondContact O-CB 3.29Å; I164-I167 PolarHBondContact O-N 3.48Å; I164-V168 HydrophobicContact CG2-CG2 4.07Å; I164-V168 WeakPolarHBondContact O-CG2 3.28Å; I164-V168 PolarHBondContact O-N 2.99Å
165D91.3Very high92.5Very high70 Ų706.9 Ų6.937%0.3744%0.039SC..Hα-helixtrans-61.5-41-175.3-69.3-15.2000112.5M160 G163 I167 V168 V169 Y271M160-D165 HydrophobicContact CE-CB 3.93Å; G163-D165 PolarHBondContact O-N 2.91Å; D165-I167 PolarHBondContact O-N 3.4Å; D165-V168 WeakPolarHBondContact O-CB 3.49Å; D165-V168 PolarHBondContact O-N 3.31Å; D165-V169 WeakPolarHBondContact O-CG2 3.38Å; D165-V169 PolarHBondContact O-N 2.85Å; D165-Y271 HydrophobicContact CB-CD1 4.26Å; D165-Y271 HydrophobicContact CB-CE1 3.61Å
166R93.2Very high92.4Very high5 Ų56.9 Ų6.92%0.0194%0.038CC..Hα-helixtrans-59.8-45.7173.4179.6-178.5-179.7131.19.5111.6M160 P161 G163 I164 V168 V169 Q170M160-R166 HydrophobicContact CB-CB 4.19Å; M160-R166 HydrophobicContact CB-CG 4.36Å; M160-R166 PolarHBondContact O-NH1 2.73Å; P161-R166 WeakPolarHBondContact O-CD 3.18Å; G163-R166 PolarHBondContact O-N 3.37Å; I164-R166 VanDerWaalsContact C-N 3.32Å; I164-R166 PolarHBondContact O-N 2.77Å; R166-V168 VanDerWaalsContact C-N 3.34Å; R166-V169 PolarHBondContact O-N 3.31Å; R166-Q170 VanDerWaalsContact O-CG 3.32Å; R166-Q170 WeakPolarHBondContact O-CG 3.29Å; R166-Q170 PolarHBondContact O-N 3.05Å
167I95.4Very high92.3Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-64-42.7-179.9-62.4165.3000110.4I31 L104 G163 I164 D165 V169 Q170 I171 W369 L378 L382 V390I31-I167 HydrophobicContact CD1-CB 4.44Å; I31-I167 HydrophobicContact CD1-CD1 3.82Å; I31-I167 HydrophobicContact CD1-CG2 4Å; I31-I167 HydrophobicContact CG2-CD1 4.49Å; L104-I167 HydrophobicContact CD1-CG2 4.19Å; G163-I167 WeakPolarHBondContact O-CG1 3.41Å; G163-I167 PolarHBondContact O-N 3.38Å; I164-I167 WeakPolarHBondContact O-CB 3.29Å; I164-I167 PolarHBondContact O-N 3.48Å; D165-I167 PolarHBondContact O-N 3.4Å; I167-V169 VanDerWaalsContact C-N 3.3Å; I167-V169 PolarHBondContact O-N 2.92Å; I167-Q170 PolarHBondContact O-N 2.95Å; I167-I171 HydrophobicContact CG2-CD1 3.86Å; I167-I171 WeakPolarHBondContact O-CG1 3.35Å; I167-I171 PolarHBondContact O-N 3.04Å; I167-W369 HydrophobicContact CG1-CH2 4.33Å; I167-L378 HydrophobicContact CD1-CD1 3.83Å; I167-L378 HydrophobicContact CD1-CD2 4.32Å; I167-L378 HydrophobicContact CG1-CD1 4.28Å; I167-L378 HydrophobicContact CG1-CD2 3.85Å; I167-L378 HydrophobicContact CG2-CD2 4.15Å; I167-L382 HydrophobicContact CG2-CD1 4.02Å; I167-V390 HydrophobicContact CD1-CG2 3.97Å
168V93.6Very high92.1Very high1 Ų17.4 Ų7.41%0.0064%0.041CC..Hα-helixtrans-57.1-44.9174.8170.50000110.8M99 L104 A107 A108 V111 I164 D165 R166 I171 A172M99-V168 HydrophobicContact CE-CG2 3.76Å; L104-V168 HydrophobicContact CD1-CG2 3.86Å; A107-V168 HydrophobicContact CB-CG1 3.91Å; A107-V168 HydrophobicContact CB-CG2 3.86Å; A108-V168 HydrophobicContact CB-CG1 4.44Å; V111-V168 HydrophobicContact CB-CG1 4.09Å; V111-V168 HydrophobicContact CG2-CG1 3.56Å; I164-V168 HydrophobicContact CG2-CG2 4.07Å; I164-V168 WeakPolarHBondContact O-CG2 3.28Å; I164-V168 PolarHBondContact O-N 2.99Å; D165-V168 WeakPolarHBondContact O-CB 3.49Å; D165-V168 PolarHBondContact O-N 3.31Å; R166-V168 VanDerWaalsContact C-N 3.34Å; V168-I171 PolarHBondContact O-N 2.93Å; V168-A172 WeakPolarHBondContact O-CB 3.16Å; V168-A172 PolarHBondContact O-N 3.41Å
169V94.7Very high92.1Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-68.1-39.6179.4177.70000111.8V111 L158 M160 D165 R166 I167 I171 A172 C173 L205 Y271V111-V169 HydrophobicContact CG1-CG2 4.2Å; L158-V169 HydrophobicContact CD1-CG1 4.24Å; L158-V169 HydrophobicContact CD2-CG1 3.45Å; L158-V169 VanDerWaalsContact CD2-CG1 3.45Å; M160-V169 HydrophobicContact CE-CG2 4.27Å; M160-V169 HydrophobicContact SD-CB 4.46Å; M160-V169 HydrophobicContact SD-CG2 4.06Å; D165-V169 WeakPolarHBondContact O-CG2 3.38Å; D165-V169 PolarHBondContact O-N 2.85Å; R166-V169 PolarHBondContact O-N 3.31Å; I167-V169 VanDerWaalsContact C-N 3.3Å; I167-V169 PolarHBondContact O-N 2.92Å; V169-I171 PolarHBondContact O-N 2.84Å; V169-A172 WeakPolarHBondContact O-CB 3.39Å; V169-A172 PolarHBondContact O-N 3.28Å; V169-C173 PolarHBondContact O-N 3.44Å; V169-C173 PolarHBondContact O-SG 3.43Å; V169-L205 HydrophobicContact CG1-CD1 3.61Å; V169-Y271 HydrophobicContact CG2-CD2 3.66Å; V169-Y271 HydrophobicContact CG2-CE2 3.33Å
170Q96.4Very high92.3Very high4 Ų47.6 Ų7.62%0.0194%0.042CC..Hα-helixtrans-59.8-46.6175.3-71.4170.2-33.900111.2L158 R166 I167 A172 C173 M174 Y180 F379L158-Q170 HydrophobicContact CD1-CG 3.73Å; R166-Q170 VanDerWaalsContact O-CG 3.32Å; R166-Q170 WeakPolarHBondContact O-CG 3.29Å; R166-Q170 PolarHBondContact O-N 3.05Å; I167-Q170 PolarHBondContact O-N 2.95Å; Q170-A172 VanDerWaalsContact C-N 3.34Å; Q170-C173 PolarHBondContact O-N 3.3Å; Q170-M174 WeakPolarHBondContact O-CG 3.35Å; Q170-M174 PolarHBondContact O-N 3.1Å; Q170-Y180 HydrophobicContact CB-CD1 4.48Å; Q170-Y180 HydrophobicContact CB-CE1 4.1Å; Q170-Y180 HydrophobicContact CB-CE2 4.45Å; Q170-Y180 HydrophobicContact CG-CD1 4.5Å; Q170-Y180 HydrophobicContact CG-CD2 4.01Å; Q170-Y180 HydrophobicContact CG-CE1 4.22Å; Q170-Y180 HydrophobicContact CG-CE2 3.69Å; Q170-Y180 HydrophobicContact CG-CG 4.4Å; Q170-F379 HydrophobicContact CB-CZ 4.14Å
171I95.3Very high92.5Very high4 Ų47.4 Ų7.42%0.0214%0.041CC..Hα-helixtrans-65.1-39.8176.3-62.7162000110.5L17 L104 A108 I167 V168 V169 C173 M174 K175 F379L17-I171 HydrophobicContact CD2-CD1 3.78Å; L17-I171 HydrophobicContact CD2-CG1 4.37Å; L17-I171 HydrophobicContact CD2-CG2 3.82Å; L104-I171 HydrophobicContact CD1-CD1 3.81Å; L104-I171 HydrophobicContact CD2-CD1 3.86Å; L104-I171 HydrophobicContact CG-CD1 3.77Å; A108-I171 HydrophobicContact CB-CB 3.8Å; A108-I171 HydrophobicContact CB-CG2 3.47Å; A108-I171 VanDerWaalsContact CB-CG2 3.47Å; I167-I171 HydrophobicContact CG2-CD1 3.86Å; I167-I171 WeakPolarHBondContact O-CG1 3.35Å; I167-I171 PolarHBondContact O-N 3.04Å; V168-I171 PolarHBondContact O-N 2.93Å; V169-I171 PolarHBondContact O-N 2.84Å; I171-C173 VanDerWaalsContact C-N 3.33Å; I171-C173 PolarHBondContact O-N 3.16Å; I171-M174 WeakPolarHBondContact O-CB 3.43Å; I171-M174 PolarHBondContact O-N 2.96Å; I171-K175 HydrophobicContact CG2-CD 4.15Å; I171-K175 HydrophobicContact CG2-CG 4.43Å; I171-K175 WeakPolarHBondContact O-CG 3.44Å; I171-K175 PolarHBondContact O-N 3.06Å; I171-F379 HydrophobicContact CG1-CE1 3.92Å; I171-F379 HydrophobicContact CG1-CZ 4.34Å
172A93Very high92.9Very high0 Ų07.5 Ų7.50%04%0.042CC..Hα-helixtrans-61-41.417600000112.1V111 A112 V168 V169 Q170 K175 L176V111-A172 HydrophobicContact CB-CB 3.88Å; V111-A172 HydrophobicContact CG1-CB 3.57Å; A112-A172 HydrophobicContact CB-CB 4Å; V168-A172 WeakPolarHBondContact O-CB 3.16Å; V168-A172 PolarHBondContact O-N 3.41Å; V169-A172 WeakPolarHBondContact O-CB 3.39Å; V169-A172 PolarHBondContact O-N 3.28Å; Q170-A172 VanDerWaalsContact C-N 3.34Å; A172-K175 PolarHBondContact O-N 3.15Å; A172-L176 WeakPolarHBondContact O-CG 3.27Å; A172-L176 PolarHBondContact O-N 3.49Å
173C94.4Very high93Very high0 Ų07.2 Ų7.20%04%0.039CC..Hα-helixtrans-61.6-45.5173.7-65.20000111.2V169 Q170 I171 K175 L176 H177 L178 Y180V169-C173 PolarHBondContact O-N 3.44Å; V169-C173 PolarHBondContact O-SG 3.43Å; Q170-C173 PolarHBondContact O-N 3.3Å; I171-C173 VanDerWaalsContact C-N 3.33Å; I171-C173 PolarHBondContact O-N 3.16Å; C173-K175 VanDerWaalsContact C-N 3.31Å; C173-K175 PolarHBondContact O-N 3.02Å; C173-L176 CarbonylContact O-C 3.44Å; C173-L176 PolarHBondContact O-N 2.93Å; C173-L176 VanDerWaalsContact O-N 3.16Å; C173-H177 PolarHBondContact O-N 2.94Å; C173-H177 VanDerWaalsContact O-N 3.13Å; C173-L178 CarbonylContact C-O 3.55Å; C173-L178 HydrophobicContact CB-CB 4.19Å; C173-L178 PolarHBondContact O-N 3.1Å; C173-Y180 HydrophobicContact CB-CD1 4.11Å
174M93.9Very high92.4Very high6 Ų68.3 Ų8.33%0.034%0.044CC..Hα-helixtrans-58.8-41.2175.7-67172.5-168.700112.6L13 H14 Q170 I171 L176 H177 Y180 V306 F375 F379L13-M174 HydrophobicContact CB-SD 4.46Å; H14-M174 HydrophobicContact CB-CB 4.25Å; H14-M174 PolarHBondContact ND1-O 2.79Å; Q170-M174 WeakPolarHBondContact O-CG 3.35Å; Q170-M174 PolarHBondContact O-N 3.1Å; I171-M174 WeakPolarHBondContact O-CB 3.43Å; I171-M174 PolarHBondContact O-N 2.96Å; M174-L176 VanDerWaalsContact C-N 3.35Å; M174-H177 PolarHBondContact O-N 3.1Å; M174-Y180 HydrophobicContact CE-CE1 3.85Å; M174-V306 HydrophobicContact CE-CG1 3.82Å; M174-V306 HydrophobicContact CG-CG1 3.66Å; M174-V306 HydrophobicContact SD-CG1 4.39Å; M174-F375 HydrophobicContact CE-CE2 3.7Å; M174-F375 HydrophobicContact CE-CZ 4.49Å; M174-F379 HydrophobicContact CE-CD1 4.26Å; M174-F379 HydrophobicContact CE-CD2 4.13Å; M174-F379 HydrophobicContact CE-CE1 3.7Å; M174-F379 HydrophobicContact CE-CE2 3.54Å; M174-F379 HydrophobicContact CE-CG 4.46Å; M174-F379 HydrophobicContact CE-CZ 3.31Å; M174-F379 HydrophobicContact SD-CE1 4.11Å; M174-F379 HydrophobicContact SD-CZ 4.24Å
175K91Very high91.5Very high0 Ų08.4 Ų8.40%04%0.043CC..Hα-helixtrans-63.5-41.7176.9-75.2173.6177.5-85.60111H14 E18 N105 A108 N109 A112 I171 A172 C173 H177 I291 C296H14-K175 HydrophobicContact CB-CG 3.76Å; E18-K175 IonicContact OE1-NZ 3.98Å; E18-K175 PolarHBondContact OE1-NZ 2.87Å; N105-K175 WeakPolarHBondContact OD1-CE 3.38Å; N105-K175 PolarHBondContact OD1-NZ 2.82Å; A108-K175 HydrophobicContact CB-CD 4.25Å; N109-K175 WeakPolarHBondContact OD1-CD 3.44Å; N109-K175 WeakPolarHBondContact OD1-CE 3.39Å; N109-K175 PolarHBondContact OD1-NZ 2.84Å; A112-K175 HydrophobicContact CB-CB 4.41Å; I171-K175 HydrophobicContact CG2-CD 4.15Å; I171-K175 HydrophobicContact CG2-CG 4.43Å; I171-K175 WeakPolarHBondContact O-CG 3.44Å; I171-K175 PolarHBondContact O-N 3.06Å; A172-K175 PolarHBondContact O-N 3.15Å; C173-K175 VanDerWaalsContact C-N 3.31Å; C173-K175 PolarHBondContact O-N 3.02Å; K175-H177 PolarHBondContact O-CD2 3.03Å; K175-H177 PolarHBondContact O-N 3.2Å; K175-I291 HydrophobicContact CB-CD1 3.69Å; K175-I291 HydrophobicContact CB-CG1 4.08Å; K175-I291 HydrophobicContact CD-CG2 4.45Å; K175-I291 WeakPolarHBondContact O-CD1 3.37Å; K175-C296 PolarHBondContact O-SG 3.28Å
176L90.4Very high90.4Very high0 Ų07.4 Ų7.40%04%0.037CC..THydrogen-bonded Turntrans-78.81.2178.6-64.9177.9000115A112 L115 A116 A172 C173 M174 L178 I291 V295 L297A112-L176 HydrophobicContact CB-CD1 4.32Å; A112-L176 HydrophobicContact CB-CD2 4.12Å; A112-L176 HydrophobicContact CB-CG 3.96Å; A112-L176 WeakPolarHBondContact O-CD1 2.83Å; L115-L176 HydrophobicContact CB-CD1 3.97Å; L115-L176 HydrophobicContact CD2-CD1 3.77Å; L115-L176 HydrophobicContact CG-CD1 3.89Å; A116-L176 HydrophobicContact CB-CD1 4.36Å; A116-L176 HydrophobicContact CB-CD2 3.86Å; A172-L176 WeakPolarHBondContact O-CG 3.27Å; A172-L176 PolarHBondContact O-N 3.49Å; C173-L176 CarbonylContact O-C 3.44Å; C173-L176 PolarHBondContact O-N 2.93Å; C173-L176 VanDerWaalsContact O-N 3.16Å; M174-L176 VanDerWaalsContact C-N 3.35Å; L176-L178 HydrophobicContact CB-CB 4.48Å; L176-L178 HydrophobicContact CB-CD1 3.94Å; L176-L178 HydrophobicContact CB-CG 3.96Å; L176-L178 HydrophobicContact CD1-CD1 3.93Å; L176-L178 PolarHBondContact O-N 3.05Å; L176-I291 HydrophobicContact CD2-CD1 3.86Å; L176-V295 HydrophobicContact CD2-CG1 4.17Å; L176-V295 WeakPolarHBondContact CD2-O 3.1Å; L176-L297 HydrophobicContact CD1-CD1 4.44Å; L176-L297 PolarHBondContact O-N 3.48Å
177H90.3Very high89.4Confident12 Ų128.4 Ų8.46%0.0564%0.044CC..THydrogen-bonded Turntrans57.833.9-171.9-59.9-174.1000112.6L12 H14 Q151 C173 M174 K175 F298 P304L12-H177 VanDerWaalsContact CD1-NE2 3.34Å; L12-H177 WeakPolarHBondContact CD1-NE2 3.38Å; H14-H177 AromaticContact CE1-NE2 3.71Å; Q151-H177 WeakPolarHBondContact CG-O 3.14Å; Q151-H177 PolarHBondContact NE2-O 3.17Å; C173-H177 PolarHBondContact O-N 2.94Å; C173-H177 VanDerWaalsContact O-N 3.13Å; M174-H177 PolarHBondContact O-N 3.1Å; K175-H177 PolarHBondContact O-CD2 3.03Å; K175-H177 PolarHBondContact O-N 3.2Å; H177-F298 HydrophobicContact CB-CB 4.02Å; H177-F298 PolarHBondContact ND1-O 3.49Å; H177-P304 HydrophobicContact CB-CB 4Å; H177-P304 HydrophobicContact CB-CG 4.11Å
178L91.3Very high88.2Confident0 Ų08.5 Ų8.50%05%0.045CC..  trans-98.3140.6176-72.9174.8000111.2L115 L119 T154 I156 C173 L176 L297 F298L115-L178 HydrophobicContact CD2-CD1 4.25Å; L119-L178 HydrophobicContact CD1-CD1 3.98Å; T154-L178 HydrophobicContact CG2-CD2 3.6Å; I156-L178 HydrophobicContact CD1-CD1 3.72Å; I156-L178 HydrophobicContact CG1-CD1 4.37Å; C173-L178 CarbonylContact C-O 3.55Å; C173-L178 HydrophobicContact CB-CB 4.19Å; C173-L178 PolarHBondContact O-N 3.1Å; L176-L178 HydrophobicContact CB-CB 4.48Å; L176-L178 HydrophobicContact CB-CD1 3.94Å; L176-L178 HydrophobicContact CB-CG 3.96Å; L176-L178 HydrophobicContact CD1-CD1 3.93Å; L176-L178 PolarHBondContact O-N 3.05Å; L178-L297 HydrophobicContact CD1-CD1 3.64Å; L178-L297 HydrophobicContact CD2-CD1 3.98Å; L178-L297 HydrophobicContact CG-CD1 3.96Å; L178-F298 HydrophobicContact CD2-CD2 4.2Å; L178-F298 HydrophobicContact CD2-CE2 3.72Å
179A94Very high87.3Confident0 Ų08.5 Ų8.50%05%0.045CC..EExtended strand (participates in β ladder)trans-75.8135.8168.100000110V155 I156 I305 V306 V308V155-A179 WeakPolarHBondContact CA-O 3.28Å; V155-A179 HydrophobicContact CG1-CB 4.46Å; V155-A179 HydrophobicContact CG2-CB 4.03Å; I156-A179 PolarHBondContact N-O 3.04Å; A179-I305 WeakPolarHBondContact CA-O 3.33Å; A179-I305 HydrophobicContact CB-CB 4.3Å; A179-I305 HydrophobicContact CB-CG2 3.76Å; A179-I305 WeakPolarHBondContact CB-O 3.38Å; A179-I305 PolarHBondContact N-O 3.1Å; A179-V306 WeakPolarHBondContact CA-O 3.47Å; A179-V308 HydrophobicContact CB-CG2 4.18Å
180Y96.4Very high86.2Confident3 Ų39.1 Ų9.11%0.0125%0.051CC..EExtended strand (participates in β ladder)trans-112.6149.1168.371.5-91.1000111.6I156 L158 Q170 C173 M174 V306 L307 V308 F375I156-Y180 CarbonylContact O-C 3.59Å; I156-Y180 VanDerWaalsContact O-CA 3.25Å; I156-Y180 WeakPolarHBondContact O-CA 3.25Å; L158-Y180 HydrophobicContact CD1-CD2 3.74Å; L158-Y180 HydrophobicContact CD1-CG 4.04Å; Q170-Y180 HydrophobicContact CB-CD1 4.48Å; Q170-Y180 HydrophobicContact CB-CE1 4.1Å; Q170-Y180 HydrophobicContact CB-CE2 4.45Å; Q170-Y180 HydrophobicContact CG-CD1 4.5Å; Q170-Y180 HydrophobicContact CG-CD2 4.01Å; Q170-Y180 HydrophobicContact CG-CE1 4.22Å; Q170-Y180 HydrophobicContact CG-CE2 3.69Å; Q170-Y180 HydrophobicContact CG-CG 4.4Å; C173-Y180 HydrophobicContact CB-CD1 4.11Å; M174-Y180 HydrophobicContact CE-CE1 3.85Å; Y180-V306 HydrophobicContact CD1-CG1 4.49Å; Y180-V306 WeakPolarHBondContact CD1-O 3.47Å; Y180-V306 HydrophobicContact CE1-CG1 3.87Å; Y180-V306 WeakPolarHBondContact CE1-O 3.33Å; Y180-V306 PolarHBondContact N-O 2.8Å; Y180-L307 HydrophobicContact CD2-CD1 4.06Å; Y180-L307 HydrophobicContact CE2-CD1 3.48Å; Y180-L307 VanDerWaalsContact CE2-CD1 3.48Å; Y180-V308 PolarHBondContact O-N 2.86Å; Y180-F375 WeakPolarHBondContact OH-CD2 3.38Å
181M95.6Very high85.2Confident1 Ų110.8 Ų10.81%0.0056%0.057CC..EExtended strand (participates in β ladder)trans-124.3109.7177.5178.6-170.864.200109.2V155 I156 A157 L158 L183 I195 L196 L199 P201 V308 F310V155-M181 HydrophobicContact CG1-CB 3.67Å; I156-M181 PolarHBondContact O-N 3.09Å; A157-M181 CarbonylContact C-O 3.58Å; A157-M181 WeakPolarHBondContact CA-O 3.38Å; A157-M181 HydrophobicContact CB-CE 3.53Å; L158-M181 PolarHBondContact N-O 3.34Å; M181-L183 HydrophobicContact CE-CD1 4.11Å; M181-L183 HydrophobicContact CE-CD2 3.67Å; M181-L183 HydrophobicContact CE-CG 3.88Å; M181-L183 PolarHBondContact O-N 3.39Å; M181-L183 HydrophobicContact SD-CD2 4.32Å; M181-I195 HydrophobicContact CE-CG2 3.93Å; M181-I195 HydrophobicContact SD-CG2 3.54Å; M181-I195 VanDerWaalsContact SD-CG2 3.54Å; M181-L196 HydrophobicContact CE-CD2 4.41Å; M181-L199 HydrophobicContact CB-CD2 4.48Å; M181-L199 HydrophobicContact SD-CD2 3.7Å; M181-P201 HydrophobicContact CE-CG 4.4Å; M181-V308 HydrophobicContact CB-CB 4.33Å; M181-F310 HydrophobicContact CG-CD2 4.42Å; M181-F310 HydrophobicContact CG-CE2 4.3Å; M181-F310 HydrophobicContact SD-CD2 3.9Å; M181-F310 HydrophobicContact SD-CE2 3.37Å; M181-F310 WeakPolarHBondContact SD-CE2 3.38Å; M181-F310 HydrophobicContact SD-CZ 4.37Å
182P93.6Very high84.5Confident14 Ų1410.7 Ų10.79%0.0916%0.056CC..EExtended strand (participates in β ladder)trans-66.8128174.928.5-33.7000111.3L307 V308 L309 W369P182-L307 HydrophobicContact CG-CD1 4.2Å; P182-V308 WeakPolarHBondContact CD-O 3.37Å; P182-L309 HydrophobicContact CG-CD2 3.56Å; P182-W369 HydrophobicContact CB-CB 4.24Å; P182-W369 WeakPolarHBondContact CB-O 2.71Å; P182-W369 WeakPolarHBondContact CG-O 3.29Å
183L88.4Confident84Confident6 Ų612.1 Ų12.13%0.0317%0.065CC..  trans-110.8125.4168.5-66.8179.8000108.8A157 L158 F159 M181 I192 I195 L196A157-L183 HydrophobicContact CB-CD1 3.84Å; A157-L183 HydrophobicContact CB-CG 4.32Å; L158-L183 PolarHBondContact O-N 3.08Å; F159-L183 HydrophobicContact CB-CB 4.38Å; F159-L183 HydrophobicContact CD2-CB 3.72Å; M181-L183 HydrophobicContact CE-CD1 4.11Å; M181-L183 HydrophobicContact CE-CD2 3.67Å; M181-L183 HydrophobicContact CE-CG 3.88Å; M181-L183 PolarHBondContact O-N 3.39Å; M181-L183 HydrophobicContact SD-CD2 4.32Å; L183-I192 HydrophobicContact CD1-CG2 4.43Å; L183-I195 HydrophobicContact CD2-CG2 3.98Å; L183-L196 HydrophobicContact CD1-CD2 4.34Å
184D76Confident83.2Confident28 Ų2813.3 Ų13.315%0.157%0.071CC..  trans-98.9133.6-179-167.2-35.4000110.1N186 V187D184-N186 PolarHBondContact O-N 2.73Å; D184-N186 WeakPolarHBondContact OD1-CB 3.49Å; D184-N186 PolarHBondContact OD1-N 3.47Å; D184-V187 HydrophobicContact CB-CG2 3.95Å; D184-V187 WeakPolarHBondContact O-CB 3.27Å; D184-V187 PolarHBondContact O-N 3.4Å; D184-V187 VanDerWaalsContact O-N 3.12Å
185R73.7Confident82.7Confident23 Ų2313.7 Ų13.79%0.0877%0.073CC..THydrogen-bonded Turntrans-64-24178.179.8-169.3-157.5167.55.5113.4F159 V187 Y210 N253 S394 A395F159-R185 HydrophobicContact CE2-CB 4.07Å; F159-R185 HydrophobicContact CZ-CB 3.92Å; R185-V187 PolarHBondContact O-N 2.92Å; R185-Y210 HydrophobicContact CB-CE2 4.5Å; R185-Y210 WeakPolarHBondContact CD-OH 3.39Å; R185-Y210 PolarHBondContact NH1-OH 3.5Å; R185-N253 PolarHBondContact O-ND2 3Å; R185-S394 PolarHBondContact NH1-O 3.3Å; R185-A395 VanDerWaalsContact NH2-C 3.31Å; R185-A395 PolarHBondContact NH2-O 2.89Å
186N67.5Low82.5Confident49 Ų4913.7 Ų13.726%0.2627%0.073SC..THydrogen-bonded Turntrans-79.2-10.5179.8-59.6-26.6000111D184 P397 E399D184-N186 PolarHBondContact O-N 2.73Å; D184-N186 WeakPolarHBondContact OD1-CB 3.49Å; D184-N186 PolarHBondContact OD1-N 3.47Å; N186-P397 VanDerWaalsContact ND2-CB 3.33Å; N186-P397 WeakPolarHBondContact ND2-CB 3.16Å; N186-P397 WeakPolarHBondContact ND2-CG 3.33Å; N186-E399 PolarHBondContact ND2-OE1 3.17Å; N186-E399 VanDerWaalsContact ND2-OE1 3.16Å
187V72.1Confident82.2Confident26 Ų2619.6 Ų19.616%0.15810%0.1CC..SBendtrans-78131.5171.3177.40000108.2D184 R185 R191 I192 N253D184-V187 HydrophobicContact CB-CG2 3.95Å; D184-V187 WeakPolarHBondContact O-CB 3.27Å; D184-V187 PolarHBondContact O-N 3.4Å; D184-V187 VanDerWaalsContact O-N 3.12Å; R185-V187 PolarHBondContact O-N 2.92Å; V187-R191 HydrophobicContact CG1-CB 3.58Å; V187-R191 HydrophobicContact CG1-CG 3.47Å; V187-R191 VanDerWaalsContact CG1-CG 3.47Å; V187-I192 HydrophobicContact CB-CD1 4.31Å; V187-I192 HydrophobicContact CB-CG1 4.26Å; V187-I192 HydrophobicContact CG1-CG1 3.96Å; V187-N253 PolarHBondContact O-ND2 3.2Å
188P71.1Confident81.9Confident2 Ų223.4 Ų23.41%0.01312%0.117CC..  trans-60148.6179.1-26.134.2000113.7G190 R191 I192 S767 H768 L770P188-G190 VanDerWaalsContact C-N 3.28Å; P188-G190 PolarHBondContact O-N 3.48Å; P188-R191 WeakPolarHBondContact O-CA 3.4Å; P188-R191 WeakPolarHBondContact O-CB 3.41Å; P188-R191 PolarHBondContact O-N 3.28Å; P188-I192 PolarHBondContact O-N 3.41Å; P188-S767 WeakPolarHBondContact CB-O 3.42Å; P188-S767 VanDerWaalsContact CG-O 3.23Å; P188-S767 WeakPolarHBondContact CG-O 3.37Å; P188-H768 WeakPolarHBondContact CB-O 3.42Å; P188-L770 VanDerWaalsContact CG-O 3.28Å; P188-L770 WeakPolarHBondContact CG-O 3.32Å
189A74.5Confident81.4Confident1 Ų124.6 Ų24.61%0.00812%0.123CC..Hα-helixtrans-55.6-39.7-179.200000112.9R191 I192 T193 N253 Q256 L257A189-R191 VanDerWaalsContact C-N 3.3Å; A189-R191 PolarHBondContact O-N 3.16Å; A189-I192 PolarHBondContact O-N 2.86Å; A189-T193 WeakPolarHBondContact O-CB 3.31Å; A189-T193 PolarHBondContact O-N 2.8Å; A189-T193 PolarHBondContact O-OG1 3.39Å; A189-N253 WeakPolarHBondContact CB-OD1 3.21Å; A189-N253 PolarHBondContact N-OD1 2.92Å; A189-Q256 HydrophobicContact CB-CB 3.48Å; A189-Q256 VanDerWaalsContact CB-CB 3.48Å; A189-L257 HydrophobicContact CB-CD2 4.18Å; A189-L257 HydrophobicContact CB-CG 3.94Å
190G71.3Confident81Confident12 Ų1230.4 Ų30.412%0.12415%0.148CC..Hα-helixtrans-61.5-38.2175.900000112.3P188 T193 Q194 H768P188-G190 VanDerWaalsContact C-N 3.28Å; P188-G190 PolarHBondContact O-N 3.48Å; G190-T193 WeakPolarHBondContact O-CB 3.32Å; G190-T193 PolarHBondContact O-N 3.37Å; G190-Q194 WeakPolarHBondContact O-CG 3.34Å; G190-Q194 PolarHBondContact O-N 3.42Å; G190-H768 WeakPolarHBondContact CA-O 3.34Å; G190-H768 PolarHBondContact N-O 3.21Å
191R74.5Confident80.7Confident40 Ų4030.5 Ų30.515%0.15115%0.149CC..Hα-helixtrans-70-40.7175.6-17563.4174.4-179.4-3.8112.2V187 P188 A189 T193 Q194 I195 P319 Y769V187-R191 HydrophobicContact CG1-CB 3.58Å; V187-R191 HydrophobicContact CG1-CG 3.47Å; V187-R191 VanDerWaalsContact CG1-CG 3.47Å; P188-R191 WeakPolarHBondContact O-CA 3.4Å; P188-R191 WeakPolarHBondContact O-CB 3.41Å; P188-R191 PolarHBondContact O-N 3.28Å; A189-R191 VanDerWaalsContact C-N 3.3Å; A189-R191 PolarHBondContact O-N 3.16Å; R191-T193 VanDerWaalsContact C-N 3.28Å; R191-T193 PolarHBondContact O-N 2.88Å; R191-Q194 PolarHBondContact O-N 2.97Å; R191-I195 HydrophobicContact CG-CD1 4.46Å; R191-I195 WeakPolarHBondContact O-CG1 3.42Å; R191-I195 PolarHBondContact O-N 3.17Å; R191-P319 VanDerWaalsContact CZ-CG 3.4Å; R191-P319 VanDerWaalsContact NH1-CG 3.3Å; R191-P319 VanDerWaalsContact NH1-N 3.19Å; R191-Y769 WeakPolarHBondContact CB-O 3.38Å
192I82.5Confident80.3Confident1 Ų131 Ų311%0.00515%0.152CC..Hα-helixtrans-61.7-40.7173.2-71.8170.6000110.1F159 L183 V187 P188 A189 Q194 I195 L196 L257 T260 F261F159-I192 HydrophobicContact CE2-CD1 4.14Å; L183-I192 HydrophobicContact CD1-CG2 4.43Å; V187-I192 HydrophobicContact CB-CD1 4.31Å; V187-I192 HydrophobicContact CB-CG1 4.26Å; V187-I192 HydrophobicContact CG1-CG1 3.96Å; P188-I192 PolarHBondContact O-N 3.41Å; A189-I192 PolarHBondContact O-N 2.86Å; I192-Q194 PolarHBondContact O-N 3.3Å; I192-I195 WeakPolarHBondContact O-CB 3.02Å; I192-I195 PolarHBondContact O-N 2.58Å; I192-I195 VanDerWaalsContact O-N 3.16Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.22Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 3.25Å; I192-L257 HydrophobicContact CB-CD2 3.93Å; I192-L257 HydrophobicContact CD1-CD1 4.32Å; I192-L257 HydrophobicContact CD1-CD2 3.5Å; I192-L257 HydrophobicContact CD1-CG 4.49Å; I192-L257 HydrophobicContact CG1-CD2 4.28Å; I192-L257 HydrophobicContact CG2-CD2 3.79Å; I192-T260 HydrophobicContact CG2-CG2 4.33Å; I192-F261 HydrophobicContact CG2-CE1 4.22Å
193T81Confident80Confident31 Ų3130.4 Ų30.419%0.1915%0.148CC..Hα-helixtrans-57.4-47.3174.5-53.50000111.2A189 G190 R191 I195 L196 H197 T260 F264A189-T193 WeakPolarHBondContact O-CB 3.31Å; A189-T193 PolarHBondContact O-N 2.8Å; A189-T193 PolarHBondContact O-OG1 3.39Å; G190-T193 WeakPolarHBondContact O-CB 3.32Å; G190-T193 PolarHBondContact O-N 3.37Å; R191-T193 VanDerWaalsContact C-N 3.28Å; R191-T193 PolarHBondContact O-N 2.88Å; T193-I195 VanDerWaalsContact C-N 3.34Å; T193-I195 PolarHBondContact O-N 3.05Å; T193-L196 PolarHBondContact O-N 2.61Å; T193-H197 PolarHBondContact O-N 3.17Å; T193-T260 HydrophobicContact CG2-CG2 4.38Å; T193-T260 WeakPolarHBondContact OG1-CG2 3.34Å; T193-T260 PolarHBondContact OG1-OG1 2.95Å; T193-F264 HydrophobicContact CG2-CE2 3.79Å; T193-F264 HydrophobicContact CG2-CZ 4.48Å; T193-F264 WeakPolarHBondContact O-CZ 3.43Å
194Q78.5Confident80.2Confident24 Ų2430.2 Ų30.211%0.11215%0.146CC..Hα-helixtrans-60.9-40.8175.8-70.6178.4-22.300112.5G190 R191 I192 H197 K198 P319 E686G190-Q194 WeakPolarHBondContact O-CG 3.34Å; G190-Q194 PolarHBondContact O-N 3.42Å; R191-Q194 PolarHBondContact O-N 2.97Å; I192-Q194 PolarHBondContact O-N 3.3Å; Q194-H197 PolarHBondContact O-N 3.31Å; Q194-K198 PolarHBondContact O-N 3.16Å; Q194-P319 HydrophobicContact CB-CG 3.67Å; Q194-E686 PolarHBondContact NE2-OE1 2.97Å; Q194-E686 PolarHBondContact NE2-OE2 3.3Å; Q194-E686 VanDerWaalsContact NE2-OE2 3.15Å
195I83.4Confident81Confident14 Ų1428.9 Ų28.97%0.07214%0.139CC..Hα-helixtrans-62.7-48.5177.1-73169.5000110.7M181 L183 R191 I192 T193 H197 K198 L199 F310 P319M181-I195 HydrophobicContact CE-CG2 3.93Å; M181-I195 HydrophobicContact SD-CG2 3.54Å; M181-I195 VanDerWaalsContact SD-CG2 3.54Å; L183-I195 HydrophobicContact CD2-CG2 3.98Å; R191-I195 HydrophobicContact CG-CD1 4.46Å; R191-I195 WeakPolarHBondContact O-CG1 3.42Å; R191-I195 PolarHBondContact O-N 3.17Å; I192-I195 WeakPolarHBondContact O-CB 3.02Å; I192-I195 PolarHBondContact O-N 2.58Å; I192-I195 VanDerWaalsContact O-N 3.16Å; T193-I195 VanDerWaalsContact C-N 3.34Å; T193-I195 PolarHBondContact O-N 3.05Å; I195-H197 VanDerWaalsContact C-N 3.33Å; I195-H197 PolarHBondContact O-N 2.84Å; I195-K198 PolarHBondContact O-N 2.81Å; I195-K198 VanDerWaalsContact O-N 3.12Å; I195-L199 PolarHBondContact O-N 2.79Å; I195-F310 HydrophobicContact CB-CZ 4.44Å; I195-F310 HydrophobicContact CD1-CB 4.32Å; I195-F310 HydrophobicContact CD1-CD2 4.49Å; I195-F310 HydrophobicContact CD1-CG 4.28Å; I195-F310 HydrophobicContact CG1-CB 4.43Å; I195-F310 HydrophobicContact CG1-CD1 4.07Å; I195-F310 HydrophobicContact CG1-CD2 4.26Å; I195-F310 HydrophobicContact CG1-CE1 4.3Å; I195-F310 HydrophobicContact CG1-CG 3.97Å; I195-F310 HydrophobicContact CG2-CD2 3.87Å; I195-F310 HydrophobicContact CG2-CE1 4.39Å; I195-F310 HydrophobicContact CG2-CE2 3.59Å; I195-F310 HydrophobicContact CG2-CG 4.41Å; I195-F310 HydrophobicContact CG2-CZ 3.81Å; I195-P319 HydrophobicContact CG1-CB 3.95Å; I195-P319 HydrophobicContact CG1-CG 3.76Å
196L87.1Confident81.8Confident0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-64.7-36-179.9-66.3178.3000112.2M181 L183 I192 T193 K198 K200 P201 I204 T260 F261 F264M181-L196 HydrophobicContact CE-CD2 4.41Å; L183-L196 HydrophobicContact CD1-CD2 4.34Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.22Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 3.25Å; T193-L196 PolarHBondContact O-N 2.61Å; L196-K198 PolarHBondContact O-N 2.93Å; L196-K200 WeakPolarHBondContact O-CA 3.3Å; L196-K200 PolarHBondContact O-N 3.02Å; L196-P201 HydrophobicContact CD2-CG 3.6Å; L196-I204 HydrophobicContact CD1-CD1 4.31Å; L196-I204 HydrophobicContact CD2-CD1 4.19Å; L196-T260 HydrophobicContact CD1-CG2 3.92Å; L196-F261 HydrophobicContact CD1-CD1 3.97Å; L196-F261 HydrophobicContact CD1-CE1 4.03Å; L196-F264 HydrophobicContact CB-CD1 4.27Å; L196-F264 HydrophobicContact CB-CD2 4.12Å; L196-F264 HydrophobicContact CB-CE1 4.04Å; L196-F264 HydrophobicContact CB-CE2 3.86Å; L196-F264 HydrophobicContact CB-CG 4.27Å; L196-F264 HydrophobicContact CB-CZ 3.77Å; L196-F264 HydrophobicContact CD1-CD2 4.28Å
197H83.1Confident82.8Confident124 Ų12426.1 Ų26.157%0.57413%0.126SC*.Hα-helixtrans-59.5-34.3173.9-100.2-51.9000112.4T193 Q194 I195 F264T193-H197 PolarHBondContact O-N 3.17Å; Q194-H197 PolarHBondContact O-N 3.31Å; I195-H197 VanDerWaalsContact C-N 3.33Å; I195-H197 PolarHBondContact O-N 2.84Å; H197-F264 HydrophobicContact CB-CE1 4.19Å; H197-F264 HydrophobicContact CB-CZ 3.78Å; H197-F264 AromaticContact CD2-CE2 3.94Å; H197-F264 AromaticContact CD2-CZ 3.24Å; H197-F264 WeakPolarHBondContact CD2-CZ 3.29Å; H197-F264 AromaticContact CE1-CE1 3.79Å; H197-F264 AromaticContact CE1-CZ 3.56Å; H197-F264 AromaticContact CG-CE1 3.75Å; H197-F264 AromaticContact CG-CZ 3.26Å; H197-F264 AromaticContact ND1-CE1 3.56Å; H197-F264 AromaticContact ND1-CZ 3.48Å; H197-F264 WeakPolarHBondContact ND1-CZ 3.14Å; H197-F264 AromaticContact NE2-CE2 3.98Å; H197-F264 AromaticContact NE2-CZ 3.43Å; H197-F264 WeakPolarHBondContact NE2-CZ 3.48Å
198K83.5Confident83.2Confident93 Ų9326.9 Ų26.940%0.40413%0.128SC..Hα-helixtrans-88.3-36.6-171.4-157.3152.9-177.1170.70114.1Q194 I195 L196 F310 S316 P319Q194-K198 PolarHBondContact O-N 3.16Å; I195-K198 PolarHBondContact O-N 2.81Å; I195-K198 VanDerWaalsContact O-N 3.12Å; L196-K198 PolarHBondContact O-N 2.93Å; K198-F310 HydrophobicContact CB-CE1 4.46Å; K198-S316 PolarHBondContact NZ-OG 2.98Å; K198-P319 WeakPolarHBondContact CD-O 3.37Å; K198-P319 VanDerWaalsContact CE-O 3.28Å; K198-P319 WeakPolarHBondContact CE-O 3.37Å; K198-P319 PolarHBondContact NZ-O 3.44Å
199L82.5Confident83.5Confident24 Ų2430.1 Ų30.113%0.12615%0.145CC..Hα-helixtrans-107.2-19.5-175.8-153.780.1000114.4V155 M181 I195 V308 F310 P321V155-L199 HydrophobicContact CB-CD2 3.88Å; V155-L199 HydrophobicContact CG1-CD2 3.66Å; V155-L199 HydrophobicContact CG2-CD2 3.82Å; V155-L199 HydrophobicContact CG2-CG 4.25Å; M181-L199 HydrophobicContact CB-CD2 4.48Å; M181-L199 HydrophobicContact SD-CD2 3.7Å; I195-L199 PolarHBondContact O-N 2.79Å; L199-V308 HydrophobicContact CD1-CG1 4.11Å; L199-V308 HydrophobicContact CD2-CB 4.32Å; L199-V308 HydrophobicContact CD2-CG1 3.87Å; L199-F310 HydrophobicContact CB-CZ 4.07Å; L199-F310 HydrophobicContact CD1-CZ 4.49Å; L199-F310 HydrophobicContact CD2-CE2 4.28Å; L199-P321 HydrophobicContact CD1-CB 3.94Å; L199-P321 HydrophobicContact CD1-CG 4.33Å
200K84.9Confident83.9Confident123 Ų12330.8 Ų30.854%0.53515%0.147SC..  trans38.469.8-177.3-64.4-174.8-178.1-179.80113.3R149 L196R149-K200 PolarHBondContact NH1-O 2.77Å; L196-K200 WeakPolarHBondContact O-CA 3.3Å; L196-K200 PolarHBondContact O-N 3.02Å
201P89Confident84.5Confident5 Ų532.8 Ų32.83%0.03215%0.151CC..  trans-60.2152.2-177.126.3-33.7000111.6V155 A157 M181 L196 L203 I204 V266V155-P201 CarbonylContact O-C 3.57Å; V155-P201 WeakPolarHBondContact O-CA 3.47Å; V155-P201 VanDerWaalsContact O-CB 3.27Å; V155-P201 WeakPolarHBondContact O-CB 3.31Å; A157-P201 HydrophobicContact CB-CB 3.95Å; A157-P201 HydrophobicContact CB-CG 3.91Å; M181-P201 HydrophobicContact CE-CG 4.4Å; L196-P201 HydrophobicContact CD2-CG 3.6Å; P201-L203 VanDerWaalsContact C-N 3.33Å; P201-I204 HydrophobicContact CG-CG1 4.31Å; P201-V266 HydrophobicContact CG-CG1 4.22Å; P201-V266 WeakPolarHBondContact O-CG1 3.38Å
202I87.1Confident84.7Confident12 Ų1232.8 Ų32.86%0.06216%0.155CC..SBendtrans-75-25.3-178.353.3148.7000113.3L119 W123 T154 V155 I156L119-I202 HydrophobicContact CD1-CD1 4.21Å; L119-I202 HydrophobicContact CD2-CD1 3.97Å; W123-I202 HydrophobicContact CH2-CB 3.46Å; W123-I202 VanDerWaalsContact CH2-CB 3.46Å; W123-I202 HydrophobicContact CH2-CD1 4.44Å; W123-I202 HydrophobicContact CH2-CG2 3.43Å; W123-I202 VanDerWaalsContact CH2-CG2 3.43Å; W123-I202 HydrophobicContact CZ2-CG2 4.16Å; W123-I202 HydrophobicContact CZ3-CB 3.82Å; W123-I202 HydrophobicContact CZ3-CD1 4.01Å; W123-I202 HydrophobicContact CZ3-CG2 4.14Å; T154-I202 HydrophobicContact CG2-CD1 3.53Å; T154-I202 HydrophobicContact CG2-CG1 4.13Å; T154-I202 HydrophobicContact CG2-CG2 4.23Å; V155-I202 WeakPolarHBondContact O-CG1 3.38Å; V155-I202 PolarHBondContact O-N 3.26Å; I156-I202 HydrophobicContact CG1-CD1 4.07Å; I156-I202 HydrophobicContact CG1-CG1 4.14Å
203L89.1Confident84.2Confident1 Ų134.9 Ų34.91%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-155.5137.5-176.6-175.663.6000108.3L115 Y118 I156 A157 P201 L205 K267L115-L203 HydrophobicContact CD1-CD2 3.72Å; Y118-L203 HydrophobicContact CD1-CD2 4.29Å; Y118-L203 HydrophobicContact CE1-CD1 3.78Å; Y118-L203 HydrophobicContact CE1-CD2 4.11Å; I156-L203 HydrophobicContact CD1-CD2 4.39Å; I156-L203 HydrophobicContact CG1-CB 4.43Å; A157-L203 PolarHBondContact N-O 3.32Å; P201-L203 VanDerWaalsContact C-N 3.33Å; L203-L205 HydrophobicContact CD2-CD2 3.78Å; L203-L205 HydrophobicContact CD2-CG 3.88Å; L203-L205 HydrophobicContact CG-CD2 4.29Å; L203-L205 HydrophobicContact CG-CG 4.23Å; L203-K267 HydrophobicContact CD1-CB 4.45Å; L203-K267 WeakPolarHBondContact CD1-O 3.36Å
204I91.8Very high83.9Confident1 Ų133.5 Ų33.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-103.9111.5162.9-63.3159.5000106.8A157 F159 L196 P201 F261 V266 K267 V268 Y269A157-I204 HydrophobicContact CB-CB 4.35Å; A157-I204 HydrophobicContact CB-CG1 3.76Å; A157-I204 WeakPolarHBondContact O-CA 3.31Å; F159-I204 HydrophobicContact CB-CG2 4.2Å; L196-I204 HydrophobicContact CD1-CD1 4.31Å; L196-I204 HydrophobicContact CD2-CD1 4.19Å; P201-I204 HydrophobicContact CG-CG1 4.31Å; I204-F261 HydrophobicContact CD1-CD1 3.87Å; I204-F261 HydrophobicContact CD1-CE1 3.99Å; I204-V266 HydrophobicContact CD1-CB 4.14Å; I204-V266 HydrophobicContact CD1-CG1 3.54Å; I204-V266 HydrophobicContact CG1-CG1 3.66Å; I204-K267 PolarHBondContact N-O 3.4Å; I204-V268 HydrophobicContact CB-CG2 4.21Å; I204-V268 HydrophobicContact CD1-CG2 4.1Å; I204-V268 WeakPolarHBondContact O-CA 3.49Å; I204-Y269 PolarHBondContact O-N 3.14Å
205L92.1Very high83.8Confident0 Ų035.2 Ų35.20%016%0.161CC..EExtended strand (participates in β ladder)trans-85.2122.3168.2-73.8176.4000108.4L115 I156 A157 L158 F159 V169 L203 Y269 L274L115-L205 HydrophobicContact CD1-CD1 4.5Å; I156-L205 HydrophobicContact CG2-CB 4.47Å; I156-L205 HydrophobicContact CG2-CD1 3.93Å; I156-L205 HydrophobicContact CG2-CG 4.04Å; A157-L205 PolarHBondContact O-N 3.24Å; L158-L205 HydrophobicContact CD2-CB 4.07Å; L158-L205 HydrophobicContact CD2-CD1 4.19Å; F159-L205 PolarHBondContact N-O 3.21Å; V169-L205 HydrophobicContact CG1-CD1 3.61Å; L203-L205 HydrophobicContact CD2-CD2 3.78Å; L203-L205 HydrophobicContact CD2-CG 3.88Å; L203-L205 HydrophobicContact CG-CD2 4.29Å; L203-L205 HydrophobicContact CG-CG 4.23Å; L205-Y269 HydrophobicContact CD2-CD1 4.35Å; L205-L274 HydrophobicContact CD2-CD2 4.34Å
206I91.2Very high83Confident0 Ų038.3 Ų38.30%018%0.177CC..EExtended strand (participates in β ladder)trans-119.9138.4-177.1-175.3167000110.2F159 Y211 I214 F261 V268 Y269 Y271F159-I206 HydrophobicContact CB-CG1 4.47Å; F159-I206 HydrophobicContact CD1-CD1 3.69Å; F159-I206 HydrophobicContact CD1-CG1 3.9Å; F159-I206 HydrophobicContact CE1-CD1 4.34Å; F159-I206 WeakPolarHBondContact O-CA 3.33Å; I206-Y211 HydrophobicContact CG2-CD2 3.58Å; I206-Y211 HydrophobicContact CG2-CG 4.26Å; I206-I214 HydrophobicContact CD1-CD1 3.75Å; I206-F261 HydrophobicContact CD1-CE2 4.27Å; I206-V268 HydrophobicContact CB-CG1 4.13Å; I206-V268 HydrophobicContact CD1-CG1 4.46Å; I206-V268 HydrophobicContact CG2-CG1 3.41Å; I206-V268 VanDerWaalsContact CG2-CG1 3.41Å; I206-Y269 PolarHBondContact N-O 2.99Å; I206-Y269 VanDerWaalsContact N-O 3.13Å; I206-Y271 WeakPolarHBondContact O-CB 3.46Å; I206-Y271 PolarHBondContact O-N 3.44Å
207D87.7Confident81Confident14 Ų1442.3 Ų42.38%0.07520%0.199CC..  trans-63.6151.5174.2-173.9-95000111.6F159 M160 P161 D209 Y210 Y211F159-D207 PolarHBondContact O-N 3.45Å; M160-D207 HydrophobicContact CB-CB 4.31Å; M160-D207 HydrophobicContact CG-CB 4.25Å; P161-D207 HydrophobicContact CG-CB 4.3Å; D207-D209 VanDerWaalsContact C-N 3.33Å; D207-D209 PolarHBondContact O-N 2.89Å; D207-D209 WeakPolarHBondContact OD1-CB 3.21Å; D207-D209 PolarHBondContact OD1-N 2.73Å; D207-Y210 HydrophobicContact CB-CD2 4.23Å; D207-Y210 HydrophobicContact CB-CG 4.43Å; D207-Y210 PolarHBondContact O-N 3.28Å; D207-Y211 WeakPolarHBondContact O-CB 3.44Å; D207-Y211 PolarHBondContact O-N 3.22Å
208K81.4Confident79.1Confident43 Ų4339.3 Ų39.319%0.18719%0.187CC..Hα-helixtrans-58.7-44.9-178.5-168.5-142.1-172.1176.40112Y210 Y211 D212 I272K208-Y210 PolarHBondContact O-N 2.94Å; K208-Y211 PolarHBondContact O-N 3.47Å; K208-Y211 VanDerWaalsContact O-N 3.12Å; K208-D212 VanDerWaalsContact CE-OD2 3.29Å; K208-D212 WeakPolarHBondContact CE-OD2 3.46Å; K208-D212 WeakPolarHBondContact O-CB 3.42Å; K208-D212 VanDerWaalsContact O-CG 3.3Å; K208-D212 PolarHBondContact O-N 3.09Å; K208-I272 HydrophobicContact CB-CD1 3.47Å; K208-I272 VanDerWaalsContact CB-CD1 3.47Å; K208-I272 HydrophobicContact CB-CG1 3.95Å; K208-I272 HydrophobicContact CD-CD1 3.56Å; K208-I272 HydrophobicContact CG-CD1 3.62Å; K208-I272 HydrophobicContact CG-CG1 4.36Å
209D77.1Confident76.8Confident70 Ų7042 Ų4237%0.37420%0.201SC..Hα-helixtrans-63.8-35.1-176.5-65.5-25.2000111.1D207 F213 S394D207-D209 VanDerWaalsContact C-N 3.33Å; D207-D209 PolarHBondContact O-N 2.89Å; D207-D209 WeakPolarHBondContact OD1-CB 3.21Å; D207-D209 PolarHBondContact OD1-N 2.73Å; D209-F213 WeakPolarHBondContact O-CB 3.34Å; D209-F213 PolarHBondContact O-N 3.05Å; D209-S394 WeakPolarHBondContact OD2-CB 3.35Å; D209-S394 PolarHBondContact OD2-OG 2.96Å
210Y83.3Confident74.4Confident14 Ų1447.2 Ų47.26%0.05523%0.229CC..Hα-helixtrans-77-36175.9-61.8-11.2000112.1F159 P161 R185 D207 K208 F213 I214F159-Y210 AromaticContact CD1-CD2 3.88Å; F159-Y210 HydrophobicContact CD1-CD2 3.88Å; F159-Y210 AromaticContact CE1-CD2 3.89Å; F159-Y210 HydrophobicContact CE1-CD2 3.89Å; F159-Y210 HydrophobicContact CE1-CG 4.32Å; F159-Y210 HydrophobicContact CG-CD2 4.49Å; F159-Y210 WeakPolarHBondContact O-CD2 3.39Å; P161-Y210 HydrophobicContact CB-CE2 4.43Å; P161-Y210 WeakPolarHBondContact CB-OH 3.48Å; P161-Y210 HydrophobicContact CG-CE2 4.46Å; R185-Y210 HydrophobicContact CB-CE2 4.5Å; R185-Y210 WeakPolarHBondContact CD-OH 3.39Å; R185-Y210 PolarHBondContact NH1-OH 3.5Å; D207-Y210 HydrophobicContact CB-CD2 4.23Å; D207-Y210 HydrophobicContact CB-CG 4.43Å; D207-Y210 PolarHBondContact O-N 3.28Å; K208-Y210 PolarHBondContact O-N 2.94Å; Y210-F213 PolarHBondContact O-N 3.04Å; Y210-I214 WeakPolarHBondContact O-CB 3.47Å; Y210-I214 VanDerWaalsContact O-CG1 3.25Å; Y210-I214 WeakPolarHBondContact O-CG1 3.32Å; Y210-I214 PolarHBondContact O-N 3.22Å
211Y83.4Confident71.8Confident54 Ų5447.8 Ų47.821%0.21224%0.238CC..Hα-helixtrans-65.8-50.8177.9-173.3-93.1000111.6I206 D207 K208 F213 I214 Y215 V268 E270I206-Y211 HydrophobicContact CG2-CD2 3.58Å; I206-Y211 HydrophobicContact CG2-CG 4.26Å; D207-Y211 WeakPolarHBondContact O-CB 3.44Å; D207-Y211 PolarHBondContact O-N 3.22Å; K208-Y211 PolarHBondContact O-N 3.47Å; K208-Y211 VanDerWaalsContact O-N 3.12Å; Y211-F213 PolarHBondContact O-N 3.4Å; Y211-I214 PolarHBondContact O-N 2.77Å; Y211-I214 VanDerWaalsContact O-N 3.11Å; Y211-Y215 HydrophobicContact CD1-CD2 4.4Å; Y211-Y215 AromaticContact CD2-CD2 3.44Å; Y211-Y215 HydrophobicContact CD2-CD2 3.44Å; Y211-Y215 VanDerWaalsContact CD2-CD2 3.44Å; Y211-Y215 AromaticContact CD2-CE2 3.78Å; Y211-Y215 HydrophobicContact CD2-CE2 3.78Å; Y211-Y215 HydrophobicContact CD2-CG 4.49Å; Y211-Y215 HydrophobicContact CE1-CD2 4.33Å; Y211-Y215 AromaticContact CE2-CD2 3.37Å; Y211-Y215 HydrophobicContact CE2-CD2 3.37Å; Y211-Y215 AromaticContact CE2-CE2 3.69Å; Y211-Y215 HydrophobicContact CE2-CE2 3.69Å; Y211-Y215 HydrophobicContact CE2-CG 4.14Å; Y211-Y215 HydrophobicContact CG-CD2 4Å; Y211-Y215 AromaticContact CZ-CD2 3.85Å; Y211-Y215 PolarHBondContact O-N 3.47Å; Y211-V268 HydrophobicContact CD2-CG1 4.39Å; Y211-V268 HydrophobicContact CE2-CG1 4.46Å; Y211-E270 HydrophobicContact CD1-CB 4.18Å; Y211-E270 HydrophobicContact CD1-CG 4.03Å; Y211-E270 HydrophobicContact CD2-CB 4.05Å; Y211-E270 HydrophobicContact CE1-CB 4.45Å; Y211-E270 HydrophobicContact CE2-CB 4.32Å; Y211-E270 HydrophobicContact CG-CB 3.95Å; Y211-E270 HydrophobicContact CG-CG 3.92Å
212D78.3Confident68.8Low41 Ų4154.7 Ų54.722%0.21928%0.275CS..Hα-helixtrans-55.6-44.2176.9-67.6-4.9000108.9K208 I214 D216K208-D212 VanDerWaalsContact CE-OD2 3.29Å; K208-D212 WeakPolarHBondContact CE-OD2 3.46Å; K208-D212 WeakPolarHBondContact O-CB 3.42Å; K208-D212 VanDerWaalsContact O-CG 3.3Å; K208-D212 PolarHBondContact O-N 3.09Å; D212-I214 PolarHBondContact O-N 2.92Å; D212-D216 VanDerWaalsContact O-CB 3.27Å; D212-D216 WeakPolarHBondContact O-CB 3.11Å; D212-D216 PolarHBondContact O-N 3.05Å
213F72.5Confident66Low45 Ų4561.8 Ų61.820%0.19731%0.313CS..Hα-helixtrans-61.2-42.1177-163.8-80.5000114.1D209 Y210 Y211 L244 I251 L254D209-F213 WeakPolarHBondContact O-CB 3.34Å; D209-F213 PolarHBondContact O-N 3.05Å; Y210-F213 PolarHBondContact O-N 3.04Å; Y211-F213 PolarHBondContact O-N 3.4Å; F213-L244 HydrophobicContact CD2-CD1 3.46Å; F213-L244 VanDerWaalsContact CD2-CD1 3.46Å; F213-L244 HydrophobicContact CD2-CD2 3.75Å; F213-L244 HydrophobicContact CD2-CG 4.16Å; F213-L244 HydrophobicContact CE2-CB 4.34Å; F213-L244 HydrophobicContact CE2-CD1 3.71Å; F213-L244 HydrophobicContact CE2-CD2 3.65Å; F213-L244 HydrophobicContact CE2-CG 4.07Å; F213-I251 HydrophobicContact CE2-CG1 4.28Å; F213-I251 HydrophobicContact CZ-CB 4.02Å; F213-I251 HydrophobicContact CZ-CD1 4.49Å; F213-I251 HydrophobicContact CZ-CG1 3.75Å; F213-I251 HydrophobicContact CZ-CG2 3.93Å; F213-L254 HydrophobicContact CB-CD1 4.38Å; F213-L254 HydrophobicContact CD1-CB 3.46Å; F213-L254 VanDerWaalsContact CD1-CB 3.46Å; F213-L254 HydrophobicContact CD1-CD1 3.27Å; F213-L254 HydrophobicContact CD1-CG 3.9Å; F213-L254 HydrophobicContact CD2-CD1 4.26Å; F213-L254 HydrophobicContact CE1-CB 3.43Å; F213-L254 VanDerWaalsContact CE1-CB 3.43Å; F213-L254 HydrophobicContact CE1-CD1 3.52Å; F213-L254 HydrophobicContact CE1-CG 4.1Å; F213-L254 HydrophobicContact CE2-CD1 4.47Å; F213-L254 HydrophobicContact CG-CD1 3.68Å; F213-L254 HydrophobicContact CZ-CD1 4.14Å
214I74.9Confident63Low2 Ų271.6 Ų71.61%0.0136%0.355CS..Hα-helixtrans-78.4-35.3-175.6-70.1176.8000111.5F159 I206 Y210 Y211 D212 L254 L257 K258 F261F159-I214 HydrophobicContact CE1-CD1 4.23Å; I206-I214 HydrophobicContact CD1-CD1 3.75Å; Y210-I214 WeakPolarHBondContact O-CB 3.47Å; Y210-I214 VanDerWaalsContact O-CG1 3.25Å; Y210-I214 WeakPolarHBondContact O-CG1 3.32Å; Y210-I214 PolarHBondContact O-N 3.22Å; Y211-I214 PolarHBondContact O-N 2.77Å; Y211-I214 VanDerWaalsContact O-N 3.11Å; D212-I214 PolarHBondContact O-N 2.92Å; I214-L254 HydrophobicContact CD1-CD2 4.05Å; I214-L254 HydrophobicContact CG1-CD2 4.06Å; I214-L257 HydrophobicContact CD1-CB 4.5Å; I214-K258 HydrophobicContact CG2-CB 3.7Å; I214-K258 HydrophobicContact CG2-CD 4.49Å; I214-K258 HydrophobicContact CG2-CG 3.73Å; I214-K258 WeakPolarHBondContact O-CD 3.49Å; I214-K258 WeakPolarHBondContact O-CE 3.36Å; I214-K258 PolarHBondContact O-NZ 3Å; I214-K258 VanDerWaalsContact O-NZ 3.07Å; I214-F261 HydrophobicContact CD1-CD2 4.14Å; I214-F261 HydrophobicContact CD1-CE2 3.8Å
215Y76.3Confident59.8Low59 Ų5980.7 Ų80.723%0.23140%0.4CS..Hα-helixtrans-118.3-5.8-166.2-64.5-74.1000115.9Y211 D217 V268Y211-Y215 HydrophobicContact CD1-CD2 4.4Å; Y211-Y215 AromaticContact CD2-CD2 3.44Å; Y211-Y215 HydrophobicContact CD2-CD2 3.44Å; Y211-Y215 VanDerWaalsContact CD2-CD2 3.44Å; Y211-Y215 AromaticContact CD2-CE2 3.78Å; Y211-Y215 HydrophobicContact CD2-CE2 3.78Å; Y211-Y215 HydrophobicContact CD2-CG 4.49Å; Y211-Y215 HydrophobicContact CE1-CD2 4.33Å; Y211-Y215 AromaticContact CE2-CD2 3.37Å; Y211-Y215 HydrophobicContact CE2-CD2 3.37Å; Y211-Y215 AromaticContact CE2-CE2 3.69Å; Y211-Y215 HydrophobicContact CE2-CE2 3.69Å; Y211-Y215 HydrophobicContact CE2-CG 4.14Å; Y211-Y215 HydrophobicContact CG-CD2 4Å; Y211-Y215 AromaticContact CZ-CD2 3.85Å; Y211-Y215 PolarHBondContact O-N 3.47Å; Y215-D217 PolarHBondContact O-N 2.81Å; Y215-V268 HydrophobicContact CE2-CG1 4.04Å
216D66.4Low56.6Low79 Ų7985.1 Ų85.142%0.42243%0.431SS..  trans-72.682.4167.8-91.9-44.2000111D212 D218 L240D212-D216 VanDerWaalsContact O-CB 3.27Å; D212-D216 WeakPolarHBondContact O-CB 3.11Å; D212-D216 PolarHBondContact O-N 3.05Å; D216-D218 PolarHBondContact O-N 3.28Å; D216-L240 HydrophobicContact CB-CD2 4.13Å; D216-L240 WeakPolarHBondContact OD2-CD2 3.36Å
217D45.7Very low53.4Low85 Ų8592.2 Ų92.246%0.45547%0.469SS..  trans-8378.6163.2-73.2-36.3000109.8Y215 H219 K258Y215-D217 PolarHBondContact O-N 2.81Å; D217-H219 PolarHBondContact O-N 2.7Å; D217-K258 IonicContact OD1-NZ 3.91Å; D217-K258 PolarHBondContact OD1-NZ 2.74Å; D217-K258 IonicContact OD2-NZ 3.05Å; D217-K258 PolarHBondContact OD2-NZ 3.12Å
218D42.3Very low50.5Low60 Ų6099.3 Ų99.332%0.32151%0.506SS..SBendtrans-84.310.4161.8-119.4-23.1000112.5D216 K237D216-D218 PolarHBondContact O-N 3.28Å; D218-K237 WeakPolarHBondContact OD1-CE 3.21Å; D218-K237 IonicContact OD1-NZ 3.09Å
219H37.1Very low47.8Very low150 Ų150102.1 Ų102.169%0.69453%0.531SS*.  trans-138.871172.5-79-65000112.2D217D217-H219 PolarHBondContact O-N 2.7Å
220N30.2Very low45.3Very low134 Ų134103.8 Ų103.872%0.71755%0.548SS*.  trans-97.582.3149.5-105.9-14.1000108.4N222N220-N222 VanDerWaalsContact C-N 3.34Å; N220-N222 PolarHBondContact O-N 2.97Å
221D30.2Very low42.7Very low134 Ų134108 Ų10872%0.71758%0.579SS**THydrogen-bonded Turntrans-71.894.7152.8-77-35.6000106
222N26.8Very low40Very low151 Ų151112.8 Ų112.881%0.80761%0.607SS**THydrogen-bonded Turntrans-171.8-5153.3-93.6-25.3000116.7N220N220-N222 VanDerWaalsContact C-N 3.34Å; N220-N222 PolarHBondContact O-N 2.97Å
223D28.2Very low37.6Very low161 Ų161117.9 Ų117.986%0.86164%0.635SS**SBendtrans-12674173.5-82.3-33.5000111.8
224K27.1Very low35.5Very low206 Ų206123.1 Ų123.190%0.89667%0.665SS**  trans176.973.5151.5-99.1169.3-172.7-175.60109.7
225M24.1Very low33.4Very low192 Ų192129.7 Ų129.795%0.94670%0.7SS**  trans-107.169.8161.7-159.3158.798.700108.6
226S23.5Very low31.2Very low93 Ų93133.5 Ų133.565%0.6572%0.724SS**SBendtrans179.6130.1156.228.50000107.9
227D24.8Very low29.5Very low150 Ų150136.3 Ų136.380%0.80273%0.732SS**  trans66.488.7159.8-55.6-17.2000117.9
228L26Very low28.9Very low162 Ų162135.8 Ų135.885%0.84874%0.736SS**  175.3123.898.4-123.572.6000110.8
229S24.8Very low28.4Very low103 Ų103139.1 Ų139.172%0.7275%0.753SS**  trans-60.7149.9157.6480000112
230S25.2Very low28Very low104 Ų104135.5 Ų135.573%0.72774%0.738SS**  trans102.7114.2163.175.10000117.7
231S28.9Very low28Very low102 Ų102134.2 Ų134.271%0.71374%0.74SS**  trans50.4115147.2530000119.4
232I26.4Very low28.2Very low156 Ų156134.3 Ų134.380%0.873%0.73SS**  171.4125.1121.7-82.6151.3000110.3
233D28.2Very low28.5Very low148 Ų148132.4 Ų132.479%0.79171%0.714SS**  trans34.1102.2156.5-62.1-25.2000122.7N235D233-N235 PolarHBondContact O-N 2.99Å
234N27.6Very low28.7Very low155 Ų155129.6 Ų129.683%0.82970%0.699SS**  trans-95.459.6172.7-88.7-29.4000113.3
235N31.2Very low29Very low139 Ų139123.2 Ų123.274%0.74368%0.68SS**  trans-114.6-2.4179.1-91.8-10000117.3D233D233-N235 PolarHBondContact O-N 2.99Å
236N30.3Very low29.4Very low140 Ų140116.2 Ų116.275%0.74965%0.65SS**SBendtrans-114.3-2.1-176.1-77.5-15.4000116.9
237K29.9Very low30Very low137 Ų137115.1 Ų115.160%0.59664%0.637SS**THydrogen-bonded Turntrans-87.8-2.7-178.8-82.4-169.9170.2-162.30116.2D218D218-K237 WeakPolarHBondContact OD1-CE 3.21Å; D218-K237 IonicContact OD1-NZ 3.09Å
238S33.7Very low30.8Very low75 Ų75113.8 Ų113.852%0.52463%0.63SS.*THydrogen-bonded Turntrans-94-3.8-177.683.70000115.3
239L31.9Very low31.4Very low129 Ų129112.1 Ų112.168%0.67562%0.616SS**SBendtrans-89.5-21.8-173.1-103.2124.6000114.6
240L28.6Very low32.3Very low74 Ų74109.1 Ų109.139%0.38759%0.591SS.*SBendtrans-89.7-32.9-175.6-89155.1000113.8D216 R242D216-L240 HydrophobicContact CB-CD2 4.13Å; D216-L240 WeakPolarHBondContact OD2-CD2 3.36Å; L240-R242 VanDerWaalsContact C-N 3.25Å; L240-R242 PolarHBondContact O-N 2.89Å
241S30.6Very low33.2Very low107 Ų107106.6 Ų106.675%0.74857%0.57SS**THydrogen-bonded Turntrans-79.42.7-176.868.70000115.1
242R33.9Very low34.1Very low137 Ų137103.8 Ų103.852%0.51756%0.556SS.*THydrogen-bonded Turntrans-105.9-0.8-174.5-109175.2174.4169.7-3114.9L240 S1126L240-R242 VanDerWaalsContact C-N 3.25Å; L240-R242 PolarHBondContact O-N 2.89Å; R242-S1126 PolarHBondContact NH2-OG 2.8Å; R242-S1126 VanDerWaalsContact NH2-OG 3.14Å
243K34.6Very low35.6Very low110 Ų11097.1 Ų97.148%0.47852%0.522SS..SBendtrans-85.6-12.9-172.7-94.2-174173.3-174.40116.6S89S89-K243 PolarHBondContact OG-NZ 2.81Å; S89-K243 VanDerWaalsContact OG-NZ 3.16Å
244L31.8Very low37.3Very low102 Ų10290.5 Ų90.553%0.53449%0.487SS..  trans-134106.6177.7-70.9101.2000112.6F213 S246F213-L244 HydrophobicContact CD2-CD1 3.46Å; F213-L244 VanDerWaalsContact CD2-CD1 3.46Å; F213-L244 HydrophobicContact CD2-CD2 3.75Å; F213-L244 HydrophobicContact CD2-CG 4.16Å; F213-L244 HydrophobicContact CE2-CB 4.34Å; F213-L244 HydrophobicContact CE2-CD1 3.71Å; F213-L244 HydrophobicContact CE2-CD2 3.65Å; F213-L244 HydrophobicContact CE2-CG 4.07Å; L244-S246 PolarHBondContact O-N 2.86Å
245S33.4Very low39.1Very low72 Ų7287.5 Ų87.550%0.50347%0.471SS..  trans-74.2108.2159.957.30000108.9N247S245-N247 PolarHBondContact O-N 2.94Å
246S32.2Very low40.8Very low45 Ų4584 Ų8432%0.31545%0.45SS..  trans30.462143.3-47.40000117.5L244L244-S246 PolarHBondContact O-N 2.86Å
247N36.3Very low42.8Very low70 Ų7077.3 Ų77.337%0.37441%0.414SS..  trans-9384.9151.9-86.2-15.9000106.8S245 F249 I250S245-N247 PolarHBondContact O-N 2.94Å; N247-F249 PolarHBondContact O-N 3.48Å; N247-I250 HydrophobicContact CB-CB 4.43Å; N247-I250 HydrophobicContact CB-CD1 3.72Å; N247-I250 HydrophobicContact CB-CG1 4.12Å; N247-I250 WeakPolarHBondContact O-CB 3.33Å; N247-I250 PolarHBondContact O-N 3.02Å
248D40.9Very low45Very low122 Ų12272.1 Ų72.165%0.65239%0.392SS*.THydrogen-bonded Turntrans-65.1-2.2-162.5-66.5-33000116.2
249F38.6Very low47Very low127 Ų12773.5 Ų73.556%0.55739%0.393SS*.THydrogen-bonded Turntrans-92.2-26.5168.1-150.3-93.1000113.1N247 P772N247-F249 PolarHBondContact O-N 3.48Å; F249-P772 HydrophobicContact CE1-CG 4.26Å; F249-P772 HydrophobicContact CZ-CG 4.38Å
250I44.5Very low49Very low40 Ų4067.7 Ų67.721%0.20536%0.362CS..Hα-helixtrans-78-40.3-175.1-60.3179.7000110.4N247 L254N247-I250 HydrophobicContact CB-CB 4.43Å; N247-I250 HydrophobicContact CB-CD1 3.72Å; N247-I250 HydrophobicContact CB-CG1 4.12Å; N247-I250 WeakPolarHBondContact O-CB 3.33Å; N247-I250 PolarHBondContact O-N 3.02Å; I250-L254 HydrophobicContact CG2-CD1 3.58Å; I250-L254 HydrophobicContact CG2-CG 4.41Å; I250-L254 WeakPolarHBondContact O-CB 3Å; I250-L254 WeakPolarHBondContact O-CD1 2.98Å; I250-L254 VanDerWaalsContact O-CG 3.29Å; I250-L254 WeakPolarHBondContact O-CG 3.1Å; I250-L254 PolarHBondContact O-N 3.24Å; I250-L254 VanDerWaalsContact O-N 3.14Å
251I43.8Very low51.4Low52 Ų5264.4 Ų64.427%0.26735%0.345SS..Hα-helixtrans-67.9-43.6-176.4-58.3-173.7000111.3F213 N253 L254 N255F213-I251 HydrophobicContact CE2-CG1 4.28Å; F213-I251 HydrophobicContact CZ-CB 4.02Å; F213-I251 HydrophobicContact CZ-CD1 4.49Å; F213-I251 HydrophobicContact CZ-CG1 3.75Å; F213-I251 HydrophobicContact CZ-CG2 3.93Å; I251-N253 PolarHBondContact O-N 2.91Å; I251-L254 PolarHBondContact O-N 3.39Å; I251-N255 PolarHBondContact O-N 3.48Å
252G47.3Very low53.6Low42 Ų4264.8 Ų64.843%0.43334%0.335SS..Hα-helixtrans-62.7-42.617900000112.7
253N59.3Low55.4Low17 Ų1764.8 Ų64.89%0.09135%0.345CS..Hα-helixtrans-69.4-37.2-179.6-158.317.1000112.1R185 V187 A189 I251 Q256 L257R185-N253 PolarHBondContact O-ND2 3Å; V187-N253 PolarHBondContact O-ND2 3.2Å; A189-N253 WeakPolarHBondContact CB-OD1 3.21Å; A189-N253 PolarHBondContact N-OD1 2.92Å; I251-N253 PolarHBondContact O-N 2.91Å; N253-Q256 PolarHBondContact O-N 2.85Å; N253-L257 VanDerWaalsContact O-CG 3.32Å; N253-L257 WeakPolarHBondContact O-CG 3.29Å; N253-L257 PolarHBondContact O-N 2.9Å
254L63.6Low56.8Low8 Ų860.5 Ų60.54%0.04233%0.326CS..Hα-helixtrans-69.6-36.8-178-75.6167.4000113.7F159 F213 I214 I250 I251 Q256 L257 K258F159-L254 HydrophobicContact CE1-CD2 4.18Å; F159-L254 HydrophobicContact CZ-CD2 4.34Å; F213-L254 HydrophobicContact CB-CD1 4.38Å; F213-L254 HydrophobicContact CD1-CB 3.46Å; F213-L254 VanDerWaalsContact CD1-CB 3.46Å; F213-L254 HydrophobicContact CD1-CD1 3.27Å; F213-L254 HydrophobicContact CD1-CG 3.9Å; F213-L254 HydrophobicContact CD2-CD1 4.26Å; F213-L254 HydrophobicContact CE1-CB 3.43Å; F213-L254 VanDerWaalsContact CE1-CB 3.43Å; F213-L254 HydrophobicContact CE1-CD1 3.52Å; F213-L254 HydrophobicContact CE1-CG 4.1Å; F213-L254 HydrophobicContact CE2-CD1 4.47Å; F213-L254 HydrophobicContact CG-CD1 3.68Å; F213-L254 HydrophobicContact CZ-CD1 4.14Å; I214-L254 HydrophobicContact CD1-CD2 4.05Å; I214-L254 HydrophobicContact CG1-CD2 4.06Å; I250-L254 HydrophobicContact CG2-CD1 3.58Å; I250-L254 HydrophobicContact CG2-CG 4.41Å; I250-L254 WeakPolarHBondContact O-CB 3Å; I250-L254 WeakPolarHBondContact O-CD1 2.98Å; I250-L254 VanDerWaalsContact O-CG 3.29Å; I250-L254 WeakPolarHBondContact O-CG 3.1Å; I250-L254 PolarHBondContact O-N 3.24Å; I250-L254 VanDerWaalsContact O-N 3.14Å; I251-L254 PolarHBondContact O-N 3.39Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; L254-L257 HydrophobicContact CD2-CD1 4.13Å; L254-L257 WeakPolarHBondContact O-CB 3.45Å; L254-L257 PolarHBondContact O-N 3.15Å; L254-K258 PolarHBondContact O-N 3.37Å
255N65Low58.4Low93 Ų9363.9 Ų63.950%0.49735%0.345SS..Hα-helixtrans-64.4-40.1173.9-78.9-18.9000112I251 L257 K258 L259I251-N255 PolarHBondContact O-N 3.48Å; N255-L257 VanDerWaalsContact C-N 3.31Å; N255-K258 VanDerWaalsContact O-CB 3.3Å; N255-K258 WeakPolarHBondContact O-CB 3.46Å; N255-K258 PolarHBondContact O-N 2.99Å; N255-L259 PolarHBondContact O-N 3.38Å
256Q67.4Low59.9Low65 Ų6561.3 Ų61.330%0.30433%0.326SS..Hα-helixtrans-67.1-35.6173.7-69.5179.7-2.800111.7A189 N253 L254 K258 L259 T260 H768A189-Q256 HydrophobicContact CB-CB 3.48Å; A189-Q256 VanDerWaalsContact CB-CB 3.48Å; N253-Q256 PolarHBondContact O-N 2.85Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; Q256-K258 VanDerWaalsContact C-N 3.32Å; Q256-K258 PolarHBondContact O-N 3.05Å; Q256-L259 WeakPolarHBondContact O-CB 3.29Å; Q256-L259 PolarHBondContact O-N 3.24Å; Q256-T260 PolarHBondContact O-N 3.41Å; Q256-T260 PolarHBondContact O-OG1 3.06Å; Q256-H768 PolarHBondContact NE2-CD2 2.84Å; Q256-H768 PolarHBondContact NE2-NE2 3.37Å; Q256-H768 PolarHBondContact OE1-CD2 3.13Å
257L72.3Confident62Low0 Ų064.2 Ų64.20%033%0.333CS..Hα-helixtrans-64-34.6174.2-78.8163.9000113.1F159 A189 I192 I214 N253 L254 N255 L259 T260 F261F159-L257 HydrophobicContact CE1-CD1 4.32Å; F159-L257 HydrophobicContact CE2-CD1 4.34Å; F159-L257 HydrophobicContact CZ-CD1 3.63Å; A189-L257 HydrophobicContact CB-CD2 4.18Å; A189-L257 HydrophobicContact CB-CG 3.94Å; I192-L257 HydrophobicContact CB-CD2 3.93Å; I192-L257 HydrophobicContact CD1-CD1 4.32Å; I192-L257 HydrophobicContact CD1-CD2 3.5Å; I192-L257 HydrophobicContact CD1-CG 4.49Å; I192-L257 HydrophobicContact CG1-CD2 4.28Å; I192-L257 HydrophobicContact CG2-CD2 3.79Å; I214-L257 HydrophobicContact CD1-CB 4.5Å; N253-L257 VanDerWaalsContact O-CG 3.32Å; N253-L257 WeakPolarHBondContact O-CG 3.29Å; N253-L257 PolarHBondContact O-N 2.9Å; L254-L257 HydrophobicContact CD2-CD1 4.13Å; L254-L257 WeakPolarHBondContact O-CB 3.45Å; L254-L257 PolarHBondContact O-N 3.15Å; N255-L257 VanDerWaalsContact C-N 3.31Å; L257-L259 VanDerWaalsContact C-N 3.33Å; L257-L259 PolarHBondContact O-N 3.15Å; L257-T260 WeakPolarHBondContact O-CB 3.26Å; L257-T260 PolarHBondContact O-N 3.4Å; L257-F261 HydrophobicContact CD2-CE1 4.39Å; L257-F261 HydrophobicContact CD2-CZ 4.23Å; L257-F261 WeakPolarHBondContact O-CG 3.38Å; L257-F261 PolarHBondContact O-N 3.14Å
258K76Confident63.9Low27 Ų2762.2 Ų62.212%0.11732%0.323CS..Hα-helixtrans-54.4-51.7170.9-169.7-178.1-171.9154.80111I214 D217 L254 N255 Q256 F261 Q262I214-K258 HydrophobicContact CG2-CB 3.7Å; I214-K258 HydrophobicContact CG2-CD 4.49Å; I214-K258 HydrophobicContact CG2-CG 3.73Å; I214-K258 WeakPolarHBondContact O-CD 3.49Å; I214-K258 WeakPolarHBondContact O-CE 3.36Å; I214-K258 PolarHBondContact O-NZ 3Å; I214-K258 VanDerWaalsContact O-NZ 3.07Å; D217-K258 IonicContact OD1-NZ 3.91Å; D217-K258 PolarHBondContact OD1-NZ 2.74Å; D217-K258 IonicContact OD2-NZ 3.05Å; D217-K258 PolarHBondContact OD2-NZ 3.12Å; L254-K258 PolarHBondContact O-N 3.37Å; N255-K258 VanDerWaalsContact O-CB 3.3Å; N255-K258 WeakPolarHBondContact O-CB 3.46Å; N255-K258 PolarHBondContact O-N 2.99Å; Q256-K258 VanDerWaalsContact C-N 3.32Å; Q256-K258 PolarHBondContact O-N 3.05Å; K258-F261 PolarHBondContact O-N 3.46Å; K258-Q262 WeakPolarHBondContact O-CB 3.32Å; K258-Q262 WeakPolarHBondContact O-CG 3.27Å; K258-Q262 PolarHBondContact O-N 2.81Å
259L74.6Confident65.8Low104 Ų10458.4 Ų58.455%0.54530%0.3SS..Hα-helixtrans-61.6-44.9177.6-75.8159000111N255 Q256 L257 F261 Q262 L263N255-L259 PolarHBondContact O-N 3.38Å; Q256-L259 WeakPolarHBondContact O-CB 3.29Å; Q256-L259 PolarHBondContact O-N 3.24Å; L257-L259 VanDerWaalsContact C-N 3.33Å; L257-L259 PolarHBondContact O-N 3.15Å; L259-F261 PolarHBondContact O-N 2.93Å; L259-Q262 PolarHBondContact O-N 2.88Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 WeakPolarHBondContact O-CD1 3.33Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 2.95Å
260T74.1Confident67.8Low7 Ų753.1 Ų53.14%0.04328%0.277CS..Hα-helixtrans-55.5-49.1174.5-63.50000111.5I192 T193 L196 Q256 L257 Q262 L263 F264I192-T260 HydrophobicContact CG2-CG2 4.33Å; T193-T260 HydrophobicContact CG2-CG2 4.38Å; T193-T260 WeakPolarHBondContact OG1-CG2 3.34Å; T193-T260 PolarHBondContact OG1-OG1 2.95Å; L196-T260 HydrophobicContact CD1-CG2 3.92Å; Q256-T260 PolarHBondContact O-N 3.41Å; Q256-T260 PolarHBondContact O-OG1 3.06Å; L257-T260 WeakPolarHBondContact O-CB 3.26Å; L257-T260 PolarHBondContact O-N 3.4Å; T260-Q262 VanDerWaalsContact C-N 3.32Å; T260-Q262 PolarHBondContact O-N 2.8Å; T260-L263 PolarHBondContact O-N 3.13Å; T260-F264 HydrophobicContact CG2-CD2 4.46Å; T260-F264 WeakPolarHBondContact O-CD2 3.25Å; T260-F264 PolarHBondContact O-N 3.41Å
261F80.1Confident69.6Low6 Ų651.4 Ų51.43%0.02627%0.268CS..Hα-helixtrans-69.5-27.4-180-65.6-23000113.5F159 I192 L196 I204 I206 I214 L257 K258 L259 V268F159-F261 HydrophobicContact CD1-CE2 4.15Å; F159-F261 HydrophobicContact CD1-CZ 4.11Å; F159-F261 HydrophobicContact CE1-CE2 4.41Å; F159-F261 HydrophobicContact CE1-CZ 4.44Å; F159-F261 HydrophobicContact CG-CZ 4.25Å; I192-F261 HydrophobicContact CG2-CE1 4.22Å; L196-F261 HydrophobicContact CD1-CD1 3.97Å; L196-F261 HydrophobicContact CD1-CE1 4.03Å; I204-F261 HydrophobicContact CD1-CD1 3.87Å; I204-F261 HydrophobicContact CD1-CE1 3.99Å; I206-F261 HydrophobicContact CD1-CE2 4.27Å; I214-F261 HydrophobicContact CD1-CD2 4.14Å; I214-F261 HydrophobicContact CD1-CE2 3.8Å; L257-F261 HydrophobicContact CD2-CE1 4.39Å; L257-F261 HydrophobicContact CD2-CZ 4.23Å; L257-F261 WeakPolarHBondContact O-CG 3.38Å; L257-F261 PolarHBondContact O-N 3.14Å; K258-F261 PolarHBondContact O-N 3.46Å; L259-F261 PolarHBondContact O-N 2.93Å; F261-V268 HydrophobicContact CB-CG2 3.86Å; F261-V268 HydrophobicContact CD2-CG2 4.15Å; F261-V268 HydrophobicContact CG-CG2 3.98Å
262Q76.7Confident71.2Confident114 Ų11450.4 Ų50.453%0.53326%0.263SS..Hα-helixtrans-76.9-34173.4-73.6175.4-22.700112.9K258 L259 T260 F264K258-Q262 WeakPolarHBondContact O-CB 3.32Å; K258-Q262 WeakPolarHBondContact O-CG 3.27Å; K258-Q262 PolarHBondContact O-N 2.81Å; L259-Q262 PolarHBondContact O-N 2.88Å; T260-Q262 VanDerWaalsContact C-N 3.32Å; T260-Q262 PolarHBondContact O-N 2.8Å; Q262-F264 VanDerWaalsContact C-N 3.26Å; Q262-F264 PolarHBondContact O-N 3.4Å
263L71Confident72.7Confident138 Ų13852.6 Ų52.672%0.72326%0.26SS*.Hα-helixtrans-68.1-27.2178.3-78.3165.2000112.7L259 T260L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 WeakPolarHBondContact O-CD1 3.33Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 2.95Å; T260-L263 PolarHBondContact O-N 3.13Å
264F64.8Low73.5Confident19 Ų1951.8 Ų51.88%0.08326%0.256CS..THydrogen-bonded Turntrans-96.5127.5174.8-80.9-85.9000110.1T193 L196 H197 T260 Q262 V266T193-F264 HydrophobicContact CG2-CE2 3.79Å; T193-F264 HydrophobicContact CG2-CZ 4.48Å; T193-F264 WeakPolarHBondContact O-CZ 3.43Å; L196-F264 HydrophobicContact CB-CD1 4.27Å; L196-F264 HydrophobicContact CB-CD2 4.12Å; L196-F264 HydrophobicContact CB-CE1 4.04Å; L196-F264 HydrophobicContact CB-CE2 3.86Å; L196-F264 HydrophobicContact CB-CG 4.27Å; L196-F264 HydrophobicContact CB-CZ 3.77Å; L196-F264 HydrophobicContact CD1-CD2 4.28Å; H197-F264 HydrophobicContact CB-CE1 4.19Å; H197-F264 HydrophobicContact CB-CZ 3.78Å; H197-F264 AromaticContact CD2-CE2 3.94Å; H197-F264 AromaticContact CD2-CZ 3.24Å; H197-F264 WeakPolarHBondContact CD2-CZ 3.29Å; H197-F264 AromaticContact CE1-CE1 3.79Å; H197-F264 AromaticContact CE1-CZ 3.56Å; H197-F264 AromaticContact CG-CE1 3.75Å; H197-F264 AromaticContact CG-CZ 3.26Å; H197-F264 AromaticContact ND1-CE1 3.56Å; H197-F264 AromaticContact ND1-CZ 3.48Å; H197-F264 WeakPolarHBondContact ND1-CZ 3.14Å; H197-F264 AromaticContact NE2-CE2 3.98Å; H197-F264 AromaticContact NE2-CZ 3.43Å; H197-F264 WeakPolarHBondContact NE2-CZ 3.48Å; T260-F264 HydrophobicContact CG2-CD2 4.46Å; T260-F264 WeakPolarHBondContact O-CD2 3.25Å; T260-F264 PolarHBondContact O-N 3.41Å; Q262-F264 VanDerWaalsContact C-N 3.26Å; Q262-F264 PolarHBondContact O-N 3.4Å; F264-V266 HydrophobicContact CB-CB 4.37Å; F264-V266 HydrophobicContact CB-CG2 4.06Å; F264-V266 PolarHBondContact O-N 2.81Å
265D64.5Low74Confident173 Ų17354 Ų5493%0.92527%0.267SS*.THydrogen-bonded Turntrans-7253.5170.1-169.220.8000111.3
266V65.4Low74.1Confident19 Ų1956.2 Ų56.212%0.11527%0.272CS..  trans-112.5123.1176.6176.30000106.8P201 I204 F264 V268P201-V266 HydrophobicContact CG-CG1 4.22Å; P201-V266 WeakPolarHBondContact O-CG1 3.38Å; I204-V266 HydrophobicContact CD1-CB 4.14Å; I204-V266 HydrophobicContact CD1-CG1 3.54Å; I204-V266 HydrophobicContact CG1-CG1 3.66Å; F264-V266 HydrophobicContact CB-CB 4.37Å; F264-V266 HydrophobicContact CB-CG2 4.06Å; F264-V266 PolarHBondContact O-N 2.81Å; V266-V268 PolarHBondContact O-N 2.98Å; V266-V268 VanDerWaalsContact O-N 3.15Å
267K75.3Confident73.7Confident106 Ų10655.4 Ų55.446%0.46127%0.269SS..  trans-67.2120.8178.1-70.9-149.3-176.6-177.40110K122 L203 I204K122-K267 HydrophobicContact CD-CD 4.34Å; K122-K267 VanDerWaalsContact CE-NZ 3.3Å; K122-K267 VanDerWaalsContact NZ-CE 3.3Å; L203-K267 HydrophobicContact CD1-CB 4.45Å; L203-K267 WeakPolarHBondContact CD1-O 3.36Å; I204-K267 PolarHBondContact N-O 3.4Å
268V76.7Confident72.8Confident27 Ų2757.4 Ų57.416%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-88.5126.9166.1-1780000108I204 I206 Y211 Y215 F261 V266I204-V268 HydrophobicContact CB-CG2 4.21Å; I204-V268 HydrophobicContact CD1-CG2 4.1Å; I204-V268 WeakPolarHBondContact O-CA 3.49Å; I206-V268 HydrophobicContact CB-CG1 4.13Å; I206-V268 HydrophobicContact CD1-CG1 4.46Å; I206-V268 HydrophobicContact CG2-CG1 3.41Å; I206-V268 VanDerWaalsContact CG2-CG1 3.41Å; Y211-V268 HydrophobicContact CD2-CG1 4.39Å; Y211-V268 HydrophobicContact CE2-CG1 4.46Å; Y215-V268 HydrophobicContact CE2-CG1 4.04Å; F261-V268 HydrophobicContact CB-CG2 3.86Å; F261-V268 HydrophobicContact CD2-CG2 4.15Å; F261-V268 HydrophobicContact CG-CG2 3.98Å; V266-V268 PolarHBondContact O-N 2.98Å; V266-V268 VanDerWaalsContact O-N 3.15Å
269Y80.1Confident71.4Confident42 Ų4265.2 Ų65.217%0.16532%0.318CS..EExtended strand (participates in β ladder)trans-129.4124.4-178.5-162.8-93.6000110.7Y118 I204 L205 I206 Y271 K273 L274Y118-Y269 HydrophobicContact CD2-CE2 4.09Å; Y118-Y269 HydrophobicContact CE1-CD2 4.48Å; Y118-Y269 AromaticContact CE2-CD2 3.69Å; Y118-Y269 HydrophobicContact CE2-CD2 3.69Å; Y118-Y269 AromaticContact CE2-CE2 3.45Å; Y118-Y269 HydrophobicContact CE2-CE2 3.45Å; Y118-Y269 VanDerWaalsContact CE2-CE2 3.45Å; Y118-Y269 HydrophobicContact CE2-CG 4.42Å; Y118-Y269 AromaticContact CE2-CZ 3.99Å; Y118-Y269 AromaticContact CZ-CD2 3.64Å; Y118-Y269 AromaticContact CZ-CE2 3.93Å; Y118-Y269 WeakPolarHBondContact OH-CD2 3.32Å; I204-Y269 PolarHBondContact O-N 3.14Å; L205-Y269 HydrophobicContact CD2-CD1 4.35Å; I206-Y269 PolarHBondContact N-O 2.99Å; I206-Y269 VanDerWaalsContact N-O 3.13Å; Y269-Y271 PolarHBondContact O-N 3.49Å; Y269-K273 HydrophobicContact CE1-CB 3.89Å; Y269-K273 PolarHBondContact OH-O 3.02Å; Y269-L274 HydrophobicContact CD1-CB 4.11Å; Y269-L274 HydrophobicContact CD1-CD1 4.1Å; Y269-L274 HydrophobicContact CE1-CB 3.72Å; Y269-L274 HydrophobicContact CE1-CD1 3.82Å; Y269-L274 HydrophobicContact CE1-CG 4.41Å; Y269-L274 VanDerWaalsContact CE1-N 3.35Å
270E82.3Confident69.7Low16 Ų1668.1 Ų68.18%0.07532%0.323CS..EExtended strand (participates in β ladder)trans-66124.9178.7-170.7-163.9145.400110.3Y211 I272 K273 L274Y211-E270 HydrophobicContact CD1-CB 4.18Å; Y211-E270 HydrophobicContact CD1-CG 4.03Å; Y211-E270 HydrophobicContact CD2-CB 4.05Å; Y211-E270 HydrophobicContact CE1-CB 4.45Å; Y211-E270 HydrophobicContact CE2-CB 4.32Å; Y211-E270 HydrophobicContact CG-CB 3.95Å; Y211-E270 HydrophobicContact CG-CG 3.92Å; E270-I272 VanDerWaalsContact C-N 3.29Å; E270-I272 PolarHBondContact O-N 3.04Å; E270-K273 HydrophobicContact CB-CB 4.33Å; E270-K273 HydrophobicContact CB-CD 4.07Å; E270-K273 HydrophobicContact CB-CG 4.12Å; E270-K273 WeakPolarHBondContact O-CB 3.3Å; E270-K273 PolarHBondContact O-N 3.48Å; E270-K273 VanDerWaalsContact O-N 3.08Å; E270-K273 WeakPolarHBondContact OE2-CD 3.41Å; E270-K273 WeakPolarHBondContact OE2-CE 3.14Å; E270-K273 WeakPolarHBondContact OE2-CG 3.38Å; E270-K273 IonicContact OE2-NZ 3.39Å; E270-K273 PolarHBondContact OE2-NZ 2.69Å; E270-L274 PolarHBondContact O-N 3.13Å
271Y81.8Confident68.2Low4 Ų470.9 Ų70.92%0.01633%0.332CS..Hα-helixtrans-55.5-41-177.4170.2-107.5000112.9V111 M160 D165 V169 I206 Y269 K273 L274 M275V111-Y271 HydrophobicContact CG2-CE2 4.1Å; M160-Y271 HydrophobicContact CE-CD1 3.99Å; M160-Y271 HydrophobicContact CE-CD2 4.07Å; M160-Y271 HydrophobicContact CE-CE1 4.49Å; M160-Y271 HydrophobicContact CE-CG 3.75Å; D165-Y271 HydrophobicContact CB-CD1 4.26Å; D165-Y271 HydrophobicContact CB-CE1 3.61Å; V169-Y271 HydrophobicContact CG2-CD2 3.66Å; V169-Y271 HydrophobicContact CG2-CE2 3.33Å; I206-Y271 WeakPolarHBondContact O-CB 3.46Å; I206-Y271 PolarHBondContact O-N 3.44Å; Y269-Y271 PolarHBondContact O-N 3.49Å; Y271-K273 VanDerWaalsContact C-N 3.31Å; Y271-K273 PolarHBondContact O-N 2.88Å; Y271-L274 WeakPolarHBondContact O-CA 3.27Å; Y271-L274 WeakPolarHBondContact O-CB 3.2Å; Y271-L274 PolarHBondContact O-N 2.88Å; Y271-M275 HydrophobicContact CD1-CG 4.47Å; Y271-M275 HydrophobicContact CE1-CG 3.85Å; Y271-M275 HydrophobicContact CE2-CG 3.97Å; Y271-M275 HydrophobicContact CE2-SD 4.34Å; Y271-M275 PolarHBondContact O-N 2.82Å
272I77.4Confident66.3Low31 Ų3174 Ų7416%0.15936%0.355CS..Hα-helixtrans-65.6-35.1-179.9-66.7-172000111.7I87 K208 E270 L274 M275 K276I87-I272 HydrophobicContact CD1-CD1 4.48Å; I87-I272 HydrophobicContact CD1-CG2 4.39Å; K208-I272 HydrophobicContact CB-CD1 3.47Å; K208-I272 VanDerWaalsContact CB-CD1 3.47Å; K208-I272 HydrophobicContact CB-CG1 3.95Å; K208-I272 HydrophobicContact CD-CD1 3.56Å; K208-I272 HydrophobicContact CG-CD1 3.62Å; K208-I272 HydrophobicContact CG-CG1 4.36Å; E270-I272 VanDerWaalsContact C-N 3.29Å; E270-I272 PolarHBondContact O-N 3.04Å; I272-L274 PolarHBondContact O-N 2.82Å; I272-M275 PolarHBondContact O-N 3.38Å; I272-K276 HydrophobicContact CG2-CD 4.35Å; I272-K276 WeakPolarHBondContact O-CG 3.43Å; I272-K276 PolarHBondContact O-N 3.14Å
273K77.5Confident64.7Low88 Ų8873.4 Ų73.438%0.38335%0.348SS..Hα-helixtrans-63-30.8172.4-70.6-179.9175.1121.50111.4Y269 E270 Y271Y269-K273 HydrophobicContact CE1-CB 3.89Å; Y269-K273 PolarHBondContact OH-O 3.02Å; E270-K273 HydrophobicContact CB-CB 4.33Å; E270-K273 HydrophobicContact CB-CD 4.07Å; E270-K273 HydrophobicContact CB-CG 4.12Å; E270-K273 WeakPolarHBondContact O-CB 3.3Å; E270-K273 PolarHBondContact O-N 3.48Å; E270-K273 VanDerWaalsContact O-N 3.08Å; E270-K273 WeakPolarHBondContact OE2-CD 3.41Å; E270-K273 WeakPolarHBondContact OE2-CE 3.14Å; E270-K273 WeakPolarHBondContact OE2-CG 3.38Å; E270-K273 IonicContact OE2-NZ 3.39Å; E270-K273 PolarHBondContact OE2-NZ 2.69Å; Y271-K273 VanDerWaalsContact C-N 3.31Å; Y271-K273 PolarHBondContact O-N 2.88Å
274L77Confident63.3Low0 Ų070.7 Ų70.70%034%0.341CS..Hα-helixtrans-69.3-42.7175.7-16584.4000110.5V111 N114 L115 Y118 L205 Y269 E270 Y271 I272 K276 L277V111-L274 HydrophobicContact CG1-CD2 4.06Å; N114-L274 HydrophobicContact CB-CG 4.21Å; N114-L274 WeakPolarHBondContact CB-O 3.38Å; N114-L274 PolarHBondContact ND2-O 3.09Å; L115-L274 HydrophobicContact CB-CD2 4.26Å; L115-L274 HydrophobicContact CD1-CD1 4.37Å; Y118-L274 HydrophobicContact CG-CD1 4.36Å; L205-L274 HydrophobicContact CD2-CD2 4.34Å; Y269-L274 HydrophobicContact CD1-CB 4.11Å; Y269-L274 HydrophobicContact CD1-CD1 4.1Å; Y269-L274 HydrophobicContact CE1-CB 3.72Å; Y269-L274 HydrophobicContact CE1-CD1 3.82Å; Y269-L274 HydrophobicContact CE1-CG 4.41Å; Y269-L274 VanDerWaalsContact CE1-N 3.35Å; E270-L274 PolarHBondContact O-N 3.13Å; Y271-L274 WeakPolarHBondContact O-CA 3.27Å; Y271-L274 WeakPolarHBondContact O-CB 3.2Å; Y271-L274 PolarHBondContact O-N 2.88Å; I272-L274 PolarHBondContact O-N 2.82Å; L274-K276 VanDerWaalsContact C-N 3.29Å; L274-K276 PolarHBondContact O-N 3.16Å; L274-L277 HydrophobicContact CD1-CD1 4.05Å; L274-L277 HydrophobicContact CG-CD1 4.5Å; L274-L277 WeakPolarHBondContact O-CB 3.41Å; L274-L277 PolarHBondContact O-N 3.13Å
275M73.3Confident62.3Low55 Ų5573 Ų7327%0.27135%0.354SS..Hα-helixtrans-63.2-35.5178.2-73.6-66.9-81.500112.6V111 N114 Y271 I272 L277 S278V111-M275 HydrophobicContact CG2-CE 4.49Å; V111-M275 HydrophobicContact CG2-SD 3.34Å; V111-M275 WeakPolarHBondContact CG2-SD 3.38Å; N114-M275 PolarHBondContact ND2-O 2.79Å; Y271-M275 HydrophobicContact CD1-CG 4.47Å; Y271-M275 HydrophobicContact CE1-CG 3.85Å; Y271-M275 HydrophobicContact CE2-CG 3.97Å; Y271-M275 HydrophobicContact CE2-SD 4.34Å; Y271-M275 PolarHBondContact O-N 2.82Å; I272-M275 PolarHBondContact O-N 3.38Å; M275-L277 PolarHBondContact O-N 3.22Å; M275-S278 PolarHBondContact O-OG 2.94Å
276K67Low61.6Low140 Ų14066.4 Ų66.461%0.60932%0.318SS*.G310 helixtrans-70.9-10.8178.2-72.1176.6178.3176.40114.7I272 L274 S278I272-K276 HydrophobicContact CG2-CD 4.35Å; I272-K276 WeakPolarHBondContact O-CG 3.43Å; I272-K276 PolarHBondContact O-N 3.14Å; L274-K276 VanDerWaalsContact C-N 3.29Å; L274-K276 PolarHBondContact O-N 3.16Å; K276-S278 PolarHBondContact O-N 2.86Å
277L59.4Low60.8Low47 Ų4774.3 Ų74.325%0.24635%0.347CS..G310 helixtrans-67.2-12.8177.4-71.1166.1000113.5N114 L274 M275 K279N114-L277 HydrophobicContact CB-CB 4.26Å; N114-L277 HydrophobicContact CB-CD1 4.48Å; L274-L277 HydrophobicContact CD1-CD1 4.05Å; L274-L277 HydrophobicContact CG-CD1 4.5Å; L274-L277 WeakPolarHBondContact O-CB 3.41Å; L274-L277 PolarHBondContact O-N 3.13Å; M275-L277 PolarHBondContact O-N 3.22Å; L277-K279 PolarHBondContact O-N 3.34Å
278S53.6Low59.8Low43 Ų4372.3 Ų72.330%0.30134%0.344SS..G310 helixtrans-66.7-2.2-173.160.70000116.2M275 K276 Y280 Y281M275-S278 PolarHBondContact O-OG 2.94Å; K276-S278 PolarHBondContact O-N 2.86Å; S278-Y280 PolarHBondContact O-N 2.88Å; S278-Y281 PolarHBondContact O-N 3.36Å
279K46Very low59.2Low191 Ų19172.4 Ų72.483%0.8335%0.348SS*.G310 helixtrans-55-12.4172.4-81.8-170.9175.8-176.10114L277L277-K279 PolarHBondContact O-N 3.34Å
280Y40.3Very low58.8Low165 Ų16572.6 Ų72.665%0.64736%0.355SS*.G310 helixtrans-100.6-3-173.1-74.4-82.5000116.5S278S278-Y280 PolarHBondContact O-N 2.88Å
281Y41.5Very low58.7Low64 Ų6472.6 Ų72.625%0.25136%0.355SS..SBendtrans-115.1124.4173.3-78.4-76.3000111.3M113 N117 S278M113-Y281 HydrophobicContact CB-CD2 4.49Å; M113-Y281 HydrophobicContact CB-CE2 4.07Å; M113-Y281 HydrophobicContact CE-CD1 3.79Å; M113-Y281 HydrophobicContact CE-CD2 4.24Å; M113-Y281 HydrophobicContact CE-CE1 3.39Å; M113-Y281 HydrophobicContact CE-CE2 3.83Å; M113-Y281 HydrophobicContact CE-CG 4.22Å; M113-Y281 VanDerWaalsContact CE-CZ 3.43Å; M113-Y281 HydrophobicContact SD-CD2 4.32Å; M113-Y281 HydrophobicContact SD-CE2 4.28Å; M113-Y281 HydrophobicContact SD-CG 4.47Å; N117-Y281 VanDerWaalsContact ND2-CE2 3.27Å; N117-Y281 WeakPolarHBondContact ND2-CE2 2.85Å; S278-Y281 PolarHBondContact O-N 3.36Å
282S39.8Very low58.3Low71 Ų7174.5 Ų74.550%0.49737%0.369SS..  trans-62.3151.8175.767.20000110.4S284 D285S282-S284 PolarHBondContact O-N 3.03Å; S282-S284 PolarHBondContact OG-OG 2.91Å; S282-D285 PolarHBondContact O-N 2.8Å
283R44.8Very low58.1Low102 Ų10279.1 Ų79.139%0.38539%0.392SS..THydrogen-bonded Turntrans-48.2-19.9-179.9-105.4171.4156.1114.6-14.3114.8E80 W82 Y287E80-R283 VanDerWaalsContact CD-CZ 3.42Å; E80-R283 IonicContact OE1-CZ 3.16Å; E80-R283 IonicContact OE1-NE 2.77Å; E80-R283 IonicContact OE1-NH2 2.63Å; E80-R283 PolarHBondContact OE1-NH2 3.43Å; E80-R283 IonicContact OE2-CZ 2.76Å; E80-R283 IonicContact OE2-NE 3.41Å; E80-R283 PolarHBondContact OE2-NE 3.48Å; E80-R283 IonicContact OE2-NH1 2.88Å; E80-R283 PolarHBondContact OE2-NH1 3.34Å; E80-R283 VanDerWaalsContact OE2-NH1 3.09Å; E80-R283 IonicContact OE2-NH2 3.16Å; E80-R283 PolarHBondContact OE2-NH2 3.29Å; E80-R283 VanDerWaalsContact OE2-NH2 3.1Å; W82-R283 HydrophobicContact CZ2-CG 4.17Å; R283-Y287 WeakPolarHBondContact O-CD2 3.35Å; R283-Y287 VanDerWaalsContact O-CE2 3.31Å; R283-Y287 WeakPolarHBondContact O-CE2 3.39Å
284S40.8Very low57.8Low82 Ų8284.5 Ų84.557%0.57341%0.41SS*.THydrogen-bonded Turntrans-78.6-32.6-175.550.60000115S282 I286S282-S284 PolarHBondContact O-N 3.03Å; S282-S284 PolarHBondContact OG-OG 2.91Å; S284-I286 VanDerWaalsContact C-N 3.33Å; S284-I286 PolarHBondContact O-N 2.79Å
285D44.2Very low57.8Low66 Ų6685 Ų8535%0.35341%0.413SS..G310 helixtrans-82.2-13-175.2-70.4-12.5000113.1S282 Y287 T288S282-D285 PolarHBondContact O-N 2.8Å; D285-Y287 PolarHBondContact O-N 3.38Å; D285-T288 PolarHBondContact O-OG1 2.67Å
286I49.6Very low57.9Low36 Ų3682.8 Ų82.819%0.18540%0.403CS..G310 helixtrans-76.4-13.7-174.6-58.4173.2000112R110 S284R110-I286 HydrophobicContact CG-CG2 4.12Å; S284-I286 VanDerWaalsContact C-N 3.33Å; S284-I286 PolarHBondContact O-N 2.79Å
287Y48.5Very low58.5Low184 Ų18477 Ų7772%0.72238%0.379SS*.G310 helixtrans-93.96.5-177.3-68.3-78.1000114.6R283 D285R283-Y287 WeakPolarHBondContact O-CD2 3.35Å; R283-Y287 VanDerWaalsContact O-CE2 3.31Å; R283-Y287 WeakPolarHBondContact O-CE2 3.39Å; D285-Y287 PolarHBondContact O-N 3.38Å
288T54.8Low59.6Low64 Ų6476 Ų7639%0.39337%0.372SS..  trans-75.6134.1175.960.60000110.4N109 D285 S290N109-T288 PolarHBondContact ND2-O 3.33Å; D285-T288 PolarHBondContact O-OG1 2.67Å; T288-S290 WeakPolarHBondContact CB-O 3.44Å; T288-S290 PolarHBondContact O-N 2.81Å; T288-S290 VanDerWaalsContact O-N 3.12Å; T288-S290 PolarHBondContact OG1-O 3.33Å
289A63Low60.7Low29 Ų2975.2 Ų75.224%0.2437%0.366CS..SBendtrans-59.5-21.4174.200000112.2E18 Q22 N105E18-A289 WeakPolarHBondContact CG-O 3.48Å; Q22-A289 HydrophobicContact CG-CB 4.39Å; N105-A289 PolarHBondContact ND2-O 2.86Å
290S72.8Confident62.3Low46 Ų4672.6 Ų72.632%0.32236%0.355SS..SBendtrans-135.4156.7-173.5-45.40000111.4E18 T288E18-S290 VanDerWaalsContact CD-OG 3.29Å; E18-S290 WeakPolarHBondContact OE1-CA 3.29Å; E18-S290 WeakPolarHBondContact OE2-CB 3.46Å; E18-S290 PolarHBondContact OE2-OG 2.99Å; T288-S290 WeakPolarHBondContact CB-O 3.44Å; T288-S290 PolarHBondContact O-N 2.81Å; T288-S290 VanDerWaalsContact O-N 3.12Å; T288-S290 PolarHBondContact OG1-O 3.33Å
291I78.9Confident64.3Low16 Ų1667.9 Ų67.98%0.08234%0.339CS..  trans-79.4142.6167.160.7162.8000110.1N109 A112 K175 L176 I293N109-I291 HydrophobicContact CB-CG2 4.05Å; A112-I291 HydrophobicContact CB-CD1 4.4Å; A112-I291 HydrophobicContact CB-CG2 4.12Å; K175-I291 HydrophobicContact CB-CD1 3.69Å; K175-I291 HydrophobicContact CB-CG1 4.08Å; K175-I291 HydrophobicContact CD-CG2 4.45Å; K175-I291 WeakPolarHBondContact O-CD1 3.37Å; L176-I291 HydrophobicContact CD2-CD1 3.86Å; I291-I293 PolarHBondContact O-N 3.12Å
292P74.4Confident66.2Low45 Ų4569.2 Ų69.229%0.29236%0.358SS..  trans-62.3136.7174.4-22.133.2000111.3R294 V295P292-R294 HydrophobicContact CB-CG 3.86Å; P292-R294 PolarHBondContact O-N 3.19Å; P292-V295 HydrophobicContact CB-CG2 4.2Å; P292-V295 HydrophobicContact CG-CG2 4.32Å; P292-V295 VanDerWaalsContact O-CB 3.32Å; P292-V295 WeakPolarHBondContact O-CB 3.1Å; P292-V295 PolarHBondContact O-N 2.99Å
293I73.6Confident68.5Low128 Ų12867.2 Ų67.266%0.65634%0.342SS*.G310 helixtrans-49.6-35.5177.8-88.5170.3000113I291 V295 C296 P299I291-I293 PolarHBondContact O-N 3.12Å; I293-V295 PolarHBondContact O-N 2.94Å; I293-V295 VanDerWaalsContact O-N 3.11Å; I293-C296 WeakPolarHBondContact O-CB 3.39Å; I293-C296 PolarHBondContact O-N 2.97Å; I293-P299 HydrophobicContact CG2-CB 3.85Å
294R70.4Confident70.7Confident200 Ų20062.5 Ų62.576%0.75532%0.324SS*.G310 helixtrans-60.7-17.7176.965.5178.6179.4-161.5-0.6114.6P292P292-R294 HydrophobicContact CB-CG 3.86Å; P292-R294 PolarHBondContact O-N 3.19Å
295V76.5Confident73.3Confident11 Ų1158.8 Ų58.87%0.06730%0.298CS..G310 helixtrans-91.2-21.8177.3-176.30000110.8M113 A116 L176 P292 I293 L297M113-V295 HydrophobicContact CG-CG1 4.41Å; A116-V295 HydrophobicContact CB-CG1 3.59Å; L176-V295 HydrophobicContact CD2-CG1 4.17Å; L176-V295 WeakPolarHBondContact CD2-O 3.1Å; P292-V295 HydrophobicContact CB-CG2 4.2Å; P292-V295 HydrophobicContact CG-CG2 4.32Å; P292-V295 VanDerWaalsContact O-CB 3.32Å; P292-V295 WeakPolarHBondContact O-CB 3.1Å; P292-V295 PolarHBondContact O-N 2.99Å; I293-V295 PolarHBondContact O-N 2.94Å; I293-V295 VanDerWaalsContact O-N 3.11Å; V295-L297 PolarHBondContact O-N 2.99Å
296C76.5Confident75.7Confident9 Ų955.8 Ų55.86%0.06128%0.282CS..  trans-64.7134174.6-65.40000109.5K175 I293 P299K175-C296 PolarHBondContact O-SG 3.28Å; I293-C296 WeakPolarHBondContact O-CB 3.39Å; I293-C296 PolarHBondContact O-N 2.97Å; C296-P299 HydrophobicContact CB-CB 4.08Å; C296-P299 WeakPolarHBondContact O-CD 3.27Å
297L79.2Confident77.9Confident19 Ų1954.3 Ų54.310%0.09927%0.274CS..SBendtrans-76-28.9-179.2-72.9160.7000112L119 E120 T127 L176 L178 V295L119-L297 HydrophobicContact CB-CD1 4.47Å; L119-L297 HydrophobicContact CD1-CD1 3.6Å; E120-L297 HydrophobicContact CG-CD2 4.49Å; T127-L297 HydrophobicContact CG2-CD2 3.93Å; L176-L297 HydrophobicContact CD1-CD1 4.44Å; L176-L297 PolarHBondContact O-N 3.48Å; L178-L297 HydrophobicContact CD1-CD1 3.64Å; L178-L297 HydrophobicContact CD2-CD1 3.98Å; L178-L297 HydrophobicContact CG-CD1 3.96Å; V295-L297 PolarHBondContact O-N 2.99Å
298F82.5Confident80.1Confident24 Ų2445.5 Ų45.511%0.10524%0.24CC..SBendtrans-127.863.3177.3-57.7-79.3000111.1I130 Q151 T154 H177 L178 F300 E301I130-F298 HydrophobicContact CD1-CE1 4.3Å; Q151-F298 HydrophobicContact CB-CB 4.39Å; Q151-F298 HydrophobicContact CB-CD1 3.82Å; Q151-F298 HydrophobicContact CB-CD2 4.24Å; Q151-F298 HydrophobicContact CB-CE1 4.13Å; Q151-F298 HydrophobicContact CB-CG 3.88Å; Q151-F298 HydrophobicContact CB-CZ 4.47Å; Q151-F298 HydrophobicContact CG-CB 3.99Å; Q151-F298 HydrophobicContact CG-CD1 4.2Å; Q151-F298 HydrophobicContact CG-CD2 3.8Å; Q151-F298 HydrophobicContact CG-CE2 4.35Å; Q151-F298 HydrophobicContact CG-CG 3.72Å; T154-F298 HydrophobicContact CG2-CE2 3.83Å; T154-F298 HydrophobicContact CG2-CZ 3.92Å; T154-F298 WeakPolarHBondContact OG1-CZ 3.46Å; H177-F298 HydrophobicContact CB-CB 4.02Å; H177-F298 PolarHBondContact ND1-O 3.49Å; L178-F298 HydrophobicContact CD2-CD2 4.2Å; L178-F298 HydrophobicContact CD2-CE2 3.72Å; F298-F300 PolarHBondContact O-N 2.88Å; F298-E301 HydrophobicContact CB-CB 4.11Å; F298-E301 PolarHBondContact O-N 3.45Å
299P77.3Confident81.9Confident28 Ų2842.7 Ų42.718%0.18222%0.222CC..THydrogen-bonded Turntrans-67.1-21.6-170.327-32.5000113.8I293 C296I293-P299 HydrophobicContact CG2-CB 3.85Å; C296-P299 HydrophobicContact CB-CB 4.08Å; C296-P299 WeakPolarHBondContact O-CD 3.27Å
300F79.8Confident83Confident135 Ų13543 Ų4359%0.59222%0.218SC*.THydrogen-bonded Turntrans-94.9-4.3-179.3-53-66.8000113.6F298 S302F298-F300 PolarHBondContact O-N 2.88Å; F300-S302 PolarHBondContact O-N 3.07Å
301E82.7Confident83.2Confident67 Ų6741.4 Ų41.431%0.31321%0.207SC..  trans-76.5110.8174.4-17167.2-128.400109.2Q151 F298 P304Q151-E301 HydrophobicContact CB-CG 4.37Å; Q151-E301 HydrophobicContact CG-CB 4.43Å; Q151-E301 HydrophobicContact CG-CG 4.05Å; F298-E301 HydrophobicContact CB-CB 4.11Å; F298-E301 PolarHBondContact O-N 3.45Å; E301-P304 HydrophobicContact CB-CB 4.4Å; E301-P304 HydrophobicContact CG-CB 3.79Å
302S81Confident82.5Confident92 Ų9241.4 Ų41.464%0.64321%0.208SC*.SBendtrans-80.8-24.3-17656.70000113.6F300F300-S302 PolarHBondContact O-N 3.07Å
303D87.9Confident81.5Confident29 Ų2939.2 Ų39.216%0.15519%0.194CC..SBendtrans-135.869.5176-172.822.3000112R325 T326 T327D303-R325 PolarHBondContact O-NH1 2.87Å; D303-R325 WeakPolarHBondContact OD1-CB 3.36Å; D303-R325 WeakPolarHBondContact OD2-CD 3.43Å; D303-T326 WeakPolarHBondContact OD1-CB 3.33Å; D303-T326 PolarHBondContact OD1-N 3.4Å; D303-T326 VanDerWaalsContact OD1-N 3.13Å; D303-T327 HydrophobicContact CB-CG2 4.1Å; D303-T327 VanDerWaalsContact CG-OG1 3.28Å; D303-T327 WeakPolarHBondContact OD1-CG2 3.26Å; D303-T327 PolarHBondContact OD1-N 2.95Å; D303-T327 PolarHBondContact OD1-OG1 3.16Å; D303-T327 WeakPolarHBondContact OD2-CG2 3.41Å; D303-T327 PolarHBondContact OD2-OG1 2.94Å
304P91.5Very high80Confident2 Ų234.5 Ų34.51%0.01317%0.172CC..  trans-67.6148.5-173.726.4-32.4000111.5L12 Q151 H177 E301 V306 T326L12-P304 HydrophobicContact CD2-CG 3.89Å; Q151-P304 HydrophobicContact CG-CB 4.34Å; H177-P304 HydrophobicContact CB-CB 4Å; H177-P304 HydrophobicContact CB-CG 4.11Å; E301-P304 HydrophobicContact CB-CB 4.4Å; E301-P304 HydrophobicContact CG-CB 3.79Å; P304-V306 PolarHBondContact O-N 3.44Å; P304-T326 WeakPolarHBondContact CD-OG1 3.41Å; P304-T326 WeakPolarHBondContact CG-OG1 3.34Å; P304-T326 PolarHBondContact O-N 2.68Å; P304-T326 PolarHBondContact O-OG1 3.47Å
305I93.7Very high78.8Confident4 Ų430.4 Ų30.42%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-66.4125164.3-67.3157.6000108Q151 S152 A179 V308 K323 L324 R325Q151-I305 PolarHBondContact NE2-O 3.11Å; S152-I305 VanDerWaalsContact CB-CD1 3.49Å; A179-I305 WeakPolarHBondContact CA-O 3.33Å; A179-I305 HydrophobicContact CB-CB 4.3Å; A179-I305 HydrophobicContact CB-CG2 3.76Å; A179-I305 WeakPolarHBondContact CB-O 3.38Å; A179-I305 PolarHBondContact N-O 3.1Å; I305-V308 HydrophobicContact CG2-CG2 4.09Å; I305-K323 HydrophobicContact CD1-CB 3.94Å; I305-K323 HydrophobicContact CD1-CD 3.86Å; I305-K323 HydrophobicContact CD1-CG 4.43Å; I305-K323 HydrophobicContact CG1-CB 4.23Å; I305-K323 HydrophobicContact CG2-CB 4Å; I305-L324 WeakPolarHBondContact CA-O 3.31Å; I305-R325 HydrophobicContact CG1-CG 3.95Å
306V94.7Very high77.4Confident4 Ų431.7 Ų31.72%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-103-40.9-177.7169.70000110.8L13 M174 A179 Y180 P304 L324 T326 L329L13-V306 HydrophobicContact CD1-CG1 4.48Å; L13-V306 HydrophobicContact CD1-CG2 4.45Å; M174-V306 HydrophobicContact CE-CG1 3.82Å; M174-V306 HydrophobicContact CG-CG1 3.66Å; M174-V306 HydrophobicContact SD-CG1 4.39Å; A179-V306 WeakPolarHBondContact CA-O 3.47Å; Y180-V306 HydrophobicContact CD1-CG1 4.49Å; Y180-V306 WeakPolarHBondContact CD1-O 3.47Å; Y180-V306 HydrophobicContact CE1-CG1 3.87Å; Y180-V306 WeakPolarHBondContact CE1-O 3.33Å; Y180-V306 PolarHBondContact N-O 2.8Å; P304-V306 PolarHBondContact O-N 3.44Å; V306-L324 PolarHBondContact N-O 3.3Å; V306-T326 WeakPolarHBondContact CG2-OG1 3.47Å; V306-L329 HydrophobicContact CB-CD1 3.94Å; V306-L329 HydrophobicContact CG1-CD1 4.14Å
307L96.3Very high76.3Confident4 Ų434.3 Ų34.32%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-132.4131.9-169.8173.761.8000110.3Y180 P182 L309 L324 L329 F375Y180-L307 HydrophobicContact CD2-CD1 4.06Å; Y180-L307 HydrophobicContact CE2-CD1 3.48Å; Y180-L307 VanDerWaalsContact CE2-CD1 3.48Å; P182-L307 HydrophobicContact CG-CD1 4.2Å; L307-L309 HydrophobicContact CD1-CD2 3.83Å; L307-L309 HydrophobicContact CD1-CG 4.05Å; L307-L309 HydrophobicContact CD2-CD1 3.94Å; L307-L309 HydrophobicContact CD2-CD2 4.37Å; L307-L309 HydrophobicContact CD2-CG 4.02Å; L307-L309 HydrophobicContact CG-CD1 4.35Å; L307-L309 HydrophobicContact CG-CD2 4.23Å; L307-L309 HydrophobicContact CG-CG 3.89Å; L307-L324 HydrophobicContact CB-CB 4.36Å; L307-L324 HydrophobicContact CD2-CD1 4.16Å; L307-L324 HydrophobicContact CG-CD1 4.47Å; L307-L324 PolarHBondContact N-O 3.2Å; L307-L324 PolarHBondContact O-N 3.49Å; L307-L329 HydrophobicContact CB-CD1 4.28Å; L307-F375 HydrophobicContact CD2-CB 4Å; L307-F375 HydrophobicContact CD2-CD2 3.99Å; L307-F375 HydrophobicContact CD2-CG 4.16Å
308V95.4Very high75.4Confident0 Ų033.8 Ų33.80%020%0.196CC..EExtended strand (participates in β ladder)trans-115.3119.3169.7-173.80000109.3V155 A179 Y180 M181 P182 L199 I305 F310 P321 V322 K323V155-V308 HydrophobicContact CG1-CG2 4.27Å; V155-V308 HydrophobicContact CG2-CG2 4.12Å; A179-V308 HydrophobicContact CB-CG2 4.18Å; Y180-V308 PolarHBondContact O-N 2.86Å; M181-V308 HydrophobicContact CB-CB 4.33Å; P182-V308 WeakPolarHBondContact CD-O 3.37Å; L199-V308 HydrophobicContact CD1-CG1 4.11Å; L199-V308 HydrophobicContact CD2-CB 4.32Å; L199-V308 HydrophobicContact CD2-CG1 3.87Å; I305-V308 HydrophobicContact CG2-CG2 4.09Å; V308-F310 HydrophobicContact CG1-CE2 4.26Å; V308-P321 HydrophobicContact CG1-CB 3.98Å; V308-V322 WeakPolarHBondContact CA-O 3.42Å; V308-K323 HydrophobicContact CG1-CG 4.45Å; V308-K323 HydrophobicContact CG2-CG 4.2Å
309L91.8Very high74.9Confident4 Ų432.7 Ų32.72%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-114.3157.7176.2-66.7178.5000110.8P182 L307 P321 V322 L324 V372 T485P182-L309 HydrophobicContact CG-CD2 3.56Å; L307-L309 HydrophobicContact CD1-CD2 3.83Å; L307-L309 HydrophobicContact CD1-CG 4.05Å; L307-L309 HydrophobicContact CD2-CD1 3.94Å; L307-L309 HydrophobicContact CD2-CD2 4.37Å; L307-L309 HydrophobicContact CD2-CG 4.02Å; L307-L309 HydrophobicContact CG-CD1 4.35Å; L307-L309 HydrophobicContact CG-CD2 4.23Å; L307-L309 HydrophobicContact CG-CG 3.89Å; L309-P321 CarbonylContact O-C 3.57Å; L309-P321 WeakPolarHBondContact O-CA 3.35Å; L309-V322 PolarHBondContact N-O 2.82Å; L309-V322 PolarHBondContact O-N 3.15Å; L309-L324 HydrophobicContact CD1-CD1 4.41Å; L309-V372 HydrophobicContact CD1-CB 3.7Å; L309-V372 HydrophobicContact CD1-CG2 4.37Å; L309-T485 HydrophobicContact CB-CG2 3.82Å; L309-T485 HydrophobicContact CD1-CG2 3.78Å; L309-T485 HydrophobicContact CG-CG2 4.43Å
310F86.4Confident75Confident35 Ų3532.5 Ų32.515%0.15419%0.188CC..EExtended strand (participates in β ladder)trans-115.1129.3180-85.9-89.9000112M181 I195 K198 L199 V308 P319 K320 P321M181-F310 HydrophobicContact CG-CD2 4.42Å; M181-F310 HydrophobicContact CG-CE2 4.3Å; M181-F310 HydrophobicContact SD-CD2 3.9Å; M181-F310 HydrophobicContact SD-CE2 3.37Å; M181-F310 WeakPolarHBondContact SD-CE2 3.38Å; M181-F310 HydrophobicContact SD-CZ 4.37Å; I195-F310 HydrophobicContact CB-CZ 4.44Å; I195-F310 HydrophobicContact CD1-CB 4.32Å; I195-F310 HydrophobicContact CD1-CD2 4.49Å; I195-F310 HydrophobicContact CD1-CG 4.28Å; I195-F310 HydrophobicContact CG1-CB 4.43Å; I195-F310 HydrophobicContact CG1-CD1 4.07Å; I195-F310 HydrophobicContact CG1-CD2 4.26Å; I195-F310 HydrophobicContact CG1-CE1 4.3Å; I195-F310 HydrophobicContact CG1-CG 3.97Å; I195-F310 HydrophobicContact CG2-CD2 3.87Å; I195-F310 HydrophobicContact CG2-CE1 4.39Å; I195-F310 HydrophobicContact CG2-CE2 3.59Å; I195-F310 HydrophobicContact CG2-CG 4.41Å; I195-F310 HydrophobicContact CG2-CZ 3.81Å; K198-F310 HydrophobicContact CB-CE1 4.46Å; L199-F310 HydrophobicContact CB-CZ 4.07Å; L199-F310 HydrophobicContact CD1-CZ 4.49Å; L199-F310 HydrophobicContact CD2-CE2 4.28Å; V308-F310 HydrophobicContact CG1-CE2 4.26Å; F310-P319 HydrophobicContact CB-CB 4.34Å; F310-P319 HydrophobicContact CD1-CB 3.31Å; F310-P319 HydrophobicContact CD1-CG 4.46Å; F310-P319 HydrophobicContact CE1-CB 3.87Å; F310-P319 HydrophobicContact CG-CB 4.18Å; F310-K320 CarbonylContact C-O 3.6Å; F310-K320 VanDerWaalsContact CA-O 3.32Å; F310-K320 WeakPolarHBondContact CA-O 3.41Å; F310-P321 HydrophobicContact CD1-CB 4.34Å; F310-P321 HydrophobicContact CE1-CB 3.83Å; F310-P321 HydrophobicContact CE1-CG 4.23Å; F310-P321 HydrophobicContact CE2-CB 4.13Å; F310-P321 HydrophobicContact CZ-CB 3.72Å; F310-P321 HydrophobicContact CZ-CG 4.37Å
311T76Confident75.4Confident14 Ų1427.4 Ų27.49%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-114.4161.6176.664.30000111.6K320 V322 T485T311-K320 PolarHBondContact N-O 3.23Å; T311-K320 PolarHBondContact O-N 3.3Å; T311-V322 HydrophobicContact CG2-CG2 3.95Å; T311-T485 HydrophobicContact CG2-CG2 4.12Å
312S65Low75.8Confident15 Ų1524.3 Ų24.311%0.10515%0.154CC..EExtended strand (participates in β ladder)trans-70.7133.2169.156.70000110.4R674 F675 D679S312-R674 VanDerWaalsContact OG-C 3.28Å; S312-R674 PolarHBondContact OG-O 3.47Å; S312-F675 VanDerWaalsContact OG-CA 3.25Å; S312-F675 WeakPolarHBondContact OG-CA 3.33Å; S312-F675 PolarHBondContact OG-N 2.91Å; S312-D679 VanDerWaalsContact CB-OD2 3.22Å; S312-D679 WeakPolarHBondContact CB-OD2 3.09Å
313G52.9Low76.4Confident0 Ų021.7 Ų21.70%013%0.131CC..  trans-116.3124.7-164.800000116.1T315 K320G313-T315 VanDerWaalsContact C-N 3.26Å; G313-T315 PolarHBondContact O-N 3.19Å; G313-K320 VanDerWaalsContact CA-CD 3.47Å; G313-K320 VanDerWaalsContact CA-CE 3.41Å
314S43.2Very low76.7Confident29 Ų2920.3 Ų20.320%0.20312%0.124CC..THydrogen-bonded Turntrans-52.4-17.3-18046.10000119.9K320 H676S314-K320 PolarHBondContact OG-NZ 3.39Å; S314-H676 VanDerWaalsContact CA-CD2 3.44Å; S314-H676 WeakPolarHBondContact CA-CD2 3.24Å; S314-H676 WeakPolarHBondContact CA-NE2 3.32Å; S314-H676 VanDerWaalsContact CB-CE1 3.47Å; S314-H676 WeakPolarHBondContact CB-CE1 3.5Å; S314-H676 WeakPolarHBondContact CB-NE2 3.25Å; S314-H676 PolarHBondContact N-CD2 2.81Å; S314-H676 PolarHBondContact N-NE2 2.57Å
315T45.8Very low76.8Confident113 Ų11322.4 Ų22.469%0.69313%0.132SC*.THydrogen-bonded Turntrans-141.5-6-161.555.40000115.3G313 K320G313-T315 VanDerWaalsContact C-N 3.26Å; G313-T315 PolarHBondContact O-N 3.19Å; T315-K320 PolarHBondContact OG1-NZ 3.1Å
316S46.7Very low76.8Confident38 Ų3822.3 Ų22.327%0.26613%0.131SC..SBendtrans-139.2126.3179.763.30000107.5K198 G318K198-S316 PolarHBondContact NZ-OG 2.98Å; S316-G318 PolarHBondContact O-N 3.08Å
317S52.1Low76.6Confident64 Ų6423.3 Ų23.345%0.44814%0.137SC..SBendtrans-49.798.8171.452.10000109.5
318G61.1Low76.5Confident8 Ų823.1 Ų23.18%0.08214%0.136CC..SBendtrans128.9-179.9174.900000117.8S316S316-G318 PolarHBondContact O-N 3.08Å
319P72.2Confident76.4Confident2 Ų223.1 Ų23.11%0.01314%0.136CC..EExtended strand (participates in β ladder)trans-61.6147.1-174.6-4.713.9000112.3R191 Q194 I195 K198 F310R191-P319 VanDerWaalsContact CZ-CG 3.4Å; R191-P319 VanDerWaalsContact NH1-CG 3.3Å; R191-P319 VanDerWaalsContact NH1-N 3.19Å; Q194-P319 HydrophobicContact CB-CG 3.67Å; I195-P319 HydrophobicContact CG1-CB 3.95Å; I195-P319 HydrophobicContact CG1-CG 3.76Å; K198-P319 WeakPolarHBondContact CD-O 3.37Å; K198-P319 VanDerWaalsContact CE-O 3.28Å; K198-P319 WeakPolarHBondContact CE-O 3.37Å; K198-P319 PolarHBondContact NZ-O 3.44Å; F310-P319 HydrophobicContact CB-CB 4.34Å; F310-P319 HydrophobicContact CD1-CB 3.31Å; F310-P319 HydrophobicContact CD1-CG 4.46Å; F310-P319 HydrophobicContact CE1-CB 3.87Å; F310-P319 HydrophobicContact CG-CB 4.18Å
320K78.9Confident76.5Confident24 Ų2424.5 Ų24.510%0.10414%0.142CC..EExtended strand (participates in β ladder)trans-115.9127.8171.1-71.3-175.6-179174.30111.2F310 T311 G313 S314 T315F310-K320 CarbonylContact C-O 3.6Å; F310-K320 VanDerWaalsContact CA-O 3.32Å; F310-K320 WeakPolarHBondContact CA-O 3.41Å; T311-K320 PolarHBondContact N-O 3.23Å; T311-K320 PolarHBondContact O-N 3.3Å; G313-K320 VanDerWaalsContact CA-CD 3.47Å; G313-K320 VanDerWaalsContact CA-CE 3.41Å; S314-K320 PolarHBondContact OG-NZ 3.39Å; T315-K320 PolarHBondContact OG1-NZ 3.1Å
321P87.8Confident76.7Confident27 Ų2723.6 Ų23.618%0.17514%0.139CC..EExtended strand (participates in β ladder)trans-77.5134.517729.9-31.8000111.4L199 V308 L309 F310 S603L199-P321 HydrophobicContact CD1-CB 3.94Å; L199-P321 HydrophobicContact CD1-CG 4.33Å; V308-P321 HydrophobicContact CG1-CB 3.98Å; L309-P321 CarbonylContact O-C 3.57Å; L309-P321 WeakPolarHBondContact O-CA 3.35Å; F310-P321 HydrophobicContact CD1-CB 4.34Å; F310-P321 HydrophobicContact CE1-CB 3.83Å; F310-P321 HydrophobicContact CE1-CG 4.23Å; F310-P321 HydrophobicContact CE2-CB 4.13Å; F310-P321 HydrophobicContact CZ-CB 3.72Å; F310-P321 HydrophobicContact CZ-CG 4.37Å; P321-S603 PolarHBondContact O-OG 2.94Å
322V91Very high77.4Confident2 Ų223.1 Ų23.11%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-111.4111.7169.4-175.90000107.7V308 L309 T311 L324 T485 E486 S603V308-V322 WeakPolarHBondContact CA-O 3.42Å; L309-V322 PolarHBondContact N-O 2.82Å; L309-V322 PolarHBondContact O-N 3.15Å; T311-V322 HydrophobicContact CG2-CG2 3.95Å; V322-L324 HydrophobicContact CG1-CD2 3.76Å; V322-L324 HydrophobicContact CG1-CG 4.29Å; V322-T485 HydrophobicContact CB-CG2 3.98Å; V322-T485 HydrophobicContact CG1-CG2 4.07Å; V322-T485 HydrophobicContact CG2-CG2 4.19Å; V322-E486 HydrophobicContact CG2-CG 4.13Å; V322-S603 WeakPolarHBondContact CA-OG 3.32Å
323K93.7Very high78.7Confident38 Ų3822.4 Ų22.417%0.16513%0.131CC..EExtended strand (participates in β ladder)trans-91.5119.3179.5-60.2-174.2-179.5-1720108.3S152 D153 I305 V308 S601 S603S152-K323 WeakPolarHBondContact O-CE 3.37Å; S152-K323 PolarHBondContact O-NZ 3.45Å; D153-K323 IonicContact OD1-NZ 3.23Å; D153-K323 PolarHBondContact OD1-NZ 3.16Å; I305-K323 HydrophobicContact CD1-CB 3.94Å; I305-K323 HydrophobicContact CD1-CD 3.86Å; I305-K323 HydrophobicContact CD1-CG 4.43Å; I305-K323 HydrophobicContact CG1-CB 4.23Å; I305-K323 HydrophobicContact CG2-CB 4Å; V308-K323 HydrophobicContact CG1-CG 4.45Å; V308-K323 HydrophobicContact CG2-CG 4.2Å; K323-S601 PolarHBondContact O-OG 3.24Å; K323-S603 PolarHBondContact N-OG 2.76Å
324L95.1Very high80.3Confident0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-110.7126.1-176.1-59.8-179.3000110.9I305 V306 L307 L309 V322 L329 V372 T485 A488I305-L324 WeakPolarHBondContact CA-O 3.31Å; V306-L324 PolarHBondContact N-O 3.3Å; L307-L324 HydrophobicContact CB-CB 4.36Å; L307-L324 HydrophobicContact CD2-CD1 4.16Å; L307-L324 HydrophobicContact CG-CD1 4.47Å; L307-L324 PolarHBondContact N-O 3.2Å; L307-L324 PolarHBondContact O-N 3.49Å; L309-L324 HydrophobicContact CD1-CD1 4.41Å; V322-L324 HydrophobicContact CG1-CD2 3.76Å; V322-L324 HydrophobicContact CG1-CG 4.29Å; L324-L329 HydrophobicContact CB-CD1 4.17Å; L324-L329 HydrophobicContact CB-CD2 4.25Å; L324-L329 HydrophobicContact CB-CG 4.2Å; L324-L329 HydrophobicContact CD1-CD2 4.07Å; L324-V372 HydrophobicContact CD1-CG2 4.03Å; L324-T485 WeakPolarHBondContact CD2-O 3.33Å; L324-A488 HydrophobicContact CD1-CB 4.45Å; L324-A488 HydrophobicContact CD2-CB 4.07Å
325R93.9Very high82.5Confident46 Ų4624.9 Ų24.917%0.17414%0.138CC..EExtended strand (participates in β ladder)trans-88.2161.4-177.6-66.7-175.2178.7-88.33112.4D303 I305 T327 Q328 L329 D602D303-R325 PolarHBondContact O-NH1 2.87Å; D303-R325 WeakPolarHBondContact OD1-CB 3.36Å; D303-R325 WeakPolarHBondContact OD2-CD 3.43Å; I305-R325 HydrophobicContact CG1-CG 3.95Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.01Å; R325-Q328 HydrophobicContact CB-CG 4.31Å; R325-Q328 PolarHBondContact O-N 3.22Å; R325-L329 WeakPolarHBondContact O-CG 3.48Å; R325-L329 PolarHBondContact O-N 3.16Å; R325-L329 VanDerWaalsContact O-N 3.13Å; R325-D602 IonicContact CZ-OD2 2.68Å; R325-D602 IonicContact NE-OD1 2.87Å; R325-D602 IonicContact NE-OD2 2.81Å; R325-D602 PolarHBondContact NE-OD2 3.21Å; R325-D602 IonicContact NH2-OD2 3.48Å; R325-D602 PolarHBondContact NH2-OD2 3.07Å
326T93.3Very high84.4Confident2 Ų219.9 Ų19.91%0.01211%0.107CC..Hα-helixtrans-56.4-48.9177.9-61.30000110.9P11 L12 L13 D303 P304 V306 Q328 L329 F330P11-T326 WeakPolarHBondContact O-CG2 3.2Å; L12-T326 HydrophobicContact CD2-CG2 4.27Å; L13-T326 HydrophobicContact CD1-CG2 4.44Å; L13-T326 HydrophobicContact CG-CG2 4.03Å; D303-T326 WeakPolarHBondContact OD1-CB 3.33Å; D303-T326 PolarHBondContact OD1-N 3.4Å; D303-T326 VanDerWaalsContact OD1-N 3.13Å; P304-T326 WeakPolarHBondContact CD-OG1 3.41Å; P304-T326 WeakPolarHBondContact CG-OG1 3.34Å; P304-T326 PolarHBondContact O-N 2.68Å; P304-T326 PolarHBondContact O-OG1 3.47Å; V306-T326 WeakPolarHBondContact CG2-OG1 3.47Å; T326-Q328 VanDerWaalsContact C-N 3.34Å; T326-Q328 PolarHBondContact O-N 3.47Å; T326-L329 PolarHBondContact O-N 3.3Å; T326-F330 VanDerWaalsContact O-CB 3.25Å; T326-F330 WeakPolarHBondContact O-CB 3.19Å; T326-F330 PolarHBondContact O-N 2.69Å
327T91.2Very high86.2Confident24 Ų2420 Ų2015%0.14710%0.102CC..Hα-helixtrans-63.4-38.1-17760.10000112.9D303 R325 N331 Q598D303-T327 HydrophobicContact CB-CG2 4.1Å; D303-T327 VanDerWaalsContact CG-OG1 3.28Å; D303-T327 WeakPolarHBondContact OD1-CG2 3.26Å; D303-T327 PolarHBondContact OD1-N 2.95Å; D303-T327 PolarHBondContact OD1-OG1 3.16Å; D303-T327 WeakPolarHBondContact OD2-CG2 3.41Å; D303-T327 PolarHBondContact OD2-OG1 2.94Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.01Å; T327-N331 VanDerWaalsContact O-CB 3.29Å; T327-N331 WeakPolarHBondContact O-CB 3.49Å; T327-N331 PolarHBondContact O-N 3.39Å; T327-Q598 VanDerWaalsContact CB-NE2 3.34Å
328Q93Very high87.4Confident0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-65.4-47.2177.9-66.1170.8-34.800111.7R325 T326 R332 A488 Q598 Q599 V600R325-Q328 HydrophobicContact CB-CG 4.31Å; R325-Q328 PolarHBondContact O-N 3.22Å; T326-Q328 VanDerWaalsContact C-N 3.34Å; T326-Q328 PolarHBondContact O-N 3.47Å; Q328-R332 PolarHBondContact O-N 2.85Å; Q328-A488 HydrophobicContact CB-CB 3.87Å; Q328-Q598 WeakPolarHBondContact CG-O 3.48Å; Q328-Q598 PolarHBondContact NE2-O 3.35Å; Q328-Q599 PolarHBondContact O-NE2 3.31Å; Q328-Q599 PolarHBondContact O-OE1 3.37Å; Q328-V600 VanDerWaalsContact NE2-C 3.31Å; Q328-V600 PolarHBondContact NE2-O 2.87Å
329L94.4Very high87.4Confident1 Ų123.7 Ų23.71%0.00512%0.121CC..Hα-helixtrans-66.7-44.3178-67.2168.1000110.4L13 V306 L307 L324 R325 T326 R332 L333 F375 A488L13-L329 HydrophobicContact CD1-CB 4.12Å; L13-L329 HydrophobicContact CD1-CD1 4.37Å; V306-L329 HydrophobicContact CB-CD1 3.94Å; V306-L329 HydrophobicContact CG1-CD1 4.14Å; L307-L329 HydrophobicContact CB-CD1 4.28Å; L324-L329 HydrophobicContact CB-CD1 4.17Å; L324-L329 HydrophobicContact CB-CD2 4.25Å; L324-L329 HydrophobicContact CB-CG 4.2Å; L324-L329 HydrophobicContact CD1-CD2 4.07Å; R325-L329 WeakPolarHBondContact O-CG 3.48Å; R325-L329 PolarHBondContact O-N 3.16Å; R325-L329 VanDerWaalsContact O-N 3.13Å; T326-L329 PolarHBondContact O-N 3.3Å; L329-R332 PolarHBondContact O-N 3.49Å; L329-L333 WeakPolarHBondContact O-CG 3.29Å; L329-L333 PolarHBondContact O-N 3.1Å; L329-L333 VanDerWaalsContact O-N 3.1Å; L329-F375 HydrophobicContact CB-CE1 3.84Å; L329-F375 HydrophobicContact CB-CZ 3.91Å; L329-F375 HydrophobicContact CD1-CE1 4.24Å; L329-F375 HydrophobicContact CD1-CE2 3.97Å; L329-F375 HydrophobicContact CD1-CZ 3.78Å; L329-F375 HydrophobicContact CD2-CD1 3.8Å; L329-F375 HydrophobicContact CD2-CE1 3.69Å; L329-F375 HydrophobicContact CD2-CG 4.32Å; L329-F375 HydrophobicContact CD2-CZ 4.09Å; L329-F375 HydrophobicContact CG-CE1 4.12Å; L329-F375 HydrophobicContact CG-CZ 4.14Å; L329-A488 HydrophobicContact CD2-CB 4.13Å
330F92.4Very high86.8Confident32 Ų3229.4 Ų29.414%0.1416%0.156CC..Hα-helixtrans-60.7-47.9177.8177.5-99.5000111.8L13 L16 T326 R332 L333 E334 W337L13-F330 HydrophobicContact CD2-CB 4.02Å; L13-F330 HydrophobicContact CD2-CD2 4.24Å; L16-F330 HydrophobicContact CD1-CD2 4.02Å; L16-F330 HydrophobicContact CD1-CE2 3.84Å; T326-F330 VanDerWaalsContact O-CB 3.25Å; T326-F330 WeakPolarHBondContact O-CB 3.19Å; T326-F330 PolarHBondContact O-N 2.69Å; F330-R332 VanDerWaalsContact C-N 3.3Å; F330-R332 PolarHBondContact O-N 3.42Å; F330-L333 CarbonylContact O-C 3.55Å; F330-L333 PolarHBondContact O-N 3.08Å; F330-E334 HydrophobicContact CE1-CB 4.15Å; F330-E334 HydrophobicContact CE1-CG 4.49Å; F330-E334 VanDerWaalsContact CE1-OE2 3.31Å; F330-E334 WeakPolarHBondContact CE1-OE2 3.5Å; F330-E334 HydrophobicContact CZ-CB 4.22Å; F330-E334 HydrophobicContact CZ-CG 4.46Å; F330-E334 WeakPolarHBondContact O-CB 3.48Å; F330-E334 PolarHBondContact O-N 2.96Å; F330-W337 HydrophobicContact CE2-CZ3 4.15Å
331N90.8Very high86Confident16 Ų1629 Ų299%0.08616%0.157CC..Hα-helixtrans-55.1-46.9178.2-173.341.9000111.2T327 L333 E334 W335 I531 Q532 Q599T327-N331 VanDerWaalsContact O-CB 3.29Å; T327-N331 WeakPolarHBondContact O-CB 3.49Å; T327-N331 PolarHBondContact O-N 3.39Å; N331-L333 VanDerWaalsContact C-N 3.31Å; N331-L333 PolarHBondContact O-N 3.15Å; N331-E334 PolarHBondContact O-N 3.5Å; N331-W335 WeakPolarHBondContact O-CB 3.49Å; N331-W335 PolarHBondContact O-N 2.77Å; N331-I531 WeakPolarHBondContact O-CD1 3.35Å; N331-Q532 PolarHBondContact ND2-O 3.31Å; N331-Q599 PolarHBondContact ND2-OE1 2.9Å
332R92Very high85Confident5 Ų531.2 Ų31.22%0.01917%0.167CC..Hα-helixtrans-58-40.6175.5174.661.8-174.171.63.3113Q328 L329 F330 T376 L481 D490Q328-R332 PolarHBondContact O-N 2.85Å; L329-R332 PolarHBondContact O-N 3.49Å; F330-R332 VanDerWaalsContact C-N 3.3Å; F330-R332 PolarHBondContact O-N 3.42Å; R332-T376 HydrophobicContact CG-CG2 4.16Å; R332-L481 VanDerWaalsContact NH2-CD1 3.31Å; R332-D490 WeakPolarHBondContact CD-O 3.19Å; R332-D490 IonicContact CZ-OD2 3.02Å; R332-D490 VanDerWaalsContact CZ-OD2 3.32Å; R332-D490 IonicContact NE-OD2 3.65Å; R332-D490 PolarHBondContact NE-OD2 3.44Å; R332-D490 IonicContact NH2-OD2 3.07Å; R332-D490 PolarHBondContact NH2-OD2 2.98Å
333L91.3Very high84Confident0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-74.2-42.6179.8-64.5-174.6000111.7L13 L329 F330 N331 W335 Q336 W337 F375 T376 F379 L383L13-L333 HydrophobicContact CD2-CD1 3.98Å; L329-L333 WeakPolarHBondContact O-CG 3.29Å; L329-L333 PolarHBondContact O-N 3.1Å; L329-L333 VanDerWaalsContact O-N 3.1Å; F330-L333 CarbonylContact O-C 3.55Å; F330-L333 PolarHBondContact O-N 3.08Å; N331-L333 VanDerWaalsContact C-N 3.31Å; N331-L333 PolarHBondContact O-N 3.15Å; L333-W335 VanDerWaalsContact C-N 3.31Å; L333-W335 PolarHBondContact O-N 3.42Å; L333-Q336 WeakPolarHBondContact O-CA 3.32Å; L333-Q336 WeakPolarHBondContact O-CB 3.45Å; L333-Q336 PolarHBondContact O-N 3.29Å; L333-W337 HydrophobicContact CB-CD2 4.47Å; L333-W337 HydrophobicContact CB-CE3 4.38Å; L333-W337 HydrophobicContact CB-CH2 3.61Å; L333-W337 HydrophobicContact CB-CZ2 3.73Å; L333-W337 HydrophobicContact CB-CZ3 3.95Å; L333-W337 HydrophobicContact CD1-CH2 3.94Å; L333-W337 HydrophobicContact CD1-CZ2 4.08Å; L333-W337 HydrophobicContact CG-CH2 4.41Å; L333-W337 HydrophobicContact CG-CZ2 4.41Å; L333-W337 VanDerWaalsContact O-CG 3.3Å; L333-W337 PolarHBondContact O-N 3.07Å; L333-W337 VanDerWaalsContact O-N 3.09Å; L333-F375 HydrophobicContact CD1-CE1 4.04Å; L333-F375 HydrophobicContact CD2-CE1 4.48Å; L333-F375 HydrophobicContact CG-CE1 4.4Å; L333-T376 HydrophobicContact CD2-CG2 4.47Å; L333-F379 HydrophobicContact CD1-CB 4.13Å; L333-L383 HydrophobicContact CD1-CD1 3.88Å
334E87.6Confident82.5Confident57 Ų5731.9 Ų31.927%0.26617%0.172SC..Hα-helixtrans-58.8-43.9177.4-176.2172.6-143.500111T5 F330 N331 Q336 W337 D338T5-E334 WeakPolarHBondContact CB-OE1 3.18Å; T5-E334 PolarHBondContact OG1-OE1 2.9Å; F330-E334 HydrophobicContact CE1-CB 4.15Å; F330-E334 HydrophobicContact CE1-CG 4.49Å; F330-E334 VanDerWaalsContact CE1-OE2 3.31Å; F330-E334 WeakPolarHBondContact CE1-OE2 3.5Å; F330-E334 HydrophobicContact CZ-CB 4.22Å; F330-E334 HydrophobicContact CZ-CG 4.46Å; F330-E334 WeakPolarHBondContact O-CB 3.48Å; F330-E334 PolarHBondContact O-N 2.96Å; N331-E334 PolarHBondContact O-N 3.5Å; E334-Q336 PolarHBondContact O-N 3.43Å; E334-W337 CarbonylContact O-C 3.29Å; E334-W337 WeakPolarHBondContact O-CA 3.39Å; E334-W337 PolarHBondContact O-N 3.35Å; E334-D338 PolarHBondContact O-N 2.99Å
335W87.8Confident80.8Confident23 Ų2332 Ų329%0.08717%0.173CC..Hα-helixtrans-58.6-31.4173.7174.761.5000114.3N331 L333 S341 M343 L481 D490 T492 I531N331-W335 WeakPolarHBondContact O-CB 3.49Å; N331-W335 PolarHBondContact O-N 2.77Å; L333-W335 VanDerWaalsContact C-N 3.31Å; L333-W335 PolarHBondContact O-N 3.42Å; W335-S341 PolarHBondContact O-OG 3.43Å; W335-M343 HydrophobicContact CH2-CE 3.21Å; W335-M343 HydrophobicContact CZ2-CE 3.23Å; W335-M343 HydrophobicContact CZ2-CG 4.09Å; W335-M343 HydrophobicContact CZ2-SD 4.39Å; W335-M343 HydrophobicContact CZ3-CE 4.04Å; W335-L481 HydrophobicContact CH2-CD2 3.76Å; W335-L481 HydrophobicContact CZ3-CD2 4.12Å; W335-D490 HydrophobicContact CZ3-CB 4.2Å; W335-T492 VanDerWaalsContact CH2-C 3.48Å; W335-I531 HydrophobicContact CB-CD1 3.21Å; W335-I531 HydrophobicContact CB-CG1 3.5Å; W335-I531 HydrophobicContact CD2-CB 4.16Å; W335-I531 HydrophobicContact CD2-CD1 3.86Å; W335-I531 HydrophobicContact CD2-CG1 4Å; W335-I531 HydrophobicContact CE3-CD1 4.09Å; W335-I531 HydrophobicContact CG-CB 4.07Å; W335-I531 HydrophobicContact CG-CD1 3.52Å; W335-I531 HydrophobicContact CG-CG1 3.47Å; W335-I531 VanDerWaalsContact CG-CG1 3.47Å
336Q86.1Confident78.8Confident9 Ų931.3 Ų31.34%0.04217%0.174CC..Hα-helixtrans-78.5-24176.6-172.7169.4-5.900112.1L333 E334 L345L333-Q336 WeakPolarHBondContact O-CA 3.32Å; L333-Q336 WeakPolarHBondContact O-CB 3.45Å; L333-Q336 PolarHBondContact O-N 3.29Å; E334-Q336 PolarHBondContact O-N 3.43Å; Q336-L345 HydrophobicContact CG-CB 4.25Å; Q336-L345 HydrophobicContact CG-CD1 3.48Å; Q336-L345 VanDerWaalsContact CG-CD1 3.48Å; Q336-L345 HydrophobicContact CG-CG 4.47Å; Q336-L345 PolarHBondContact O-N 2.92Å
337W84.5Confident76.6Confident41 Ų4133.1 Ų33.116%0.15518%0.184CC..Hα-helixtrans-91.6-18.9177.5-57.2-33.8000113.7L16 F330 L333 E334 S339 S380 L383 A384L16-W337 HydrophobicContact CD1-CH2 3.86Å; L16-W337 HydrophobicContact CD1-CZ3 3.94Å; F330-W337 HydrophobicContact CE2-CZ3 4.15Å; L333-W337 HydrophobicContact CB-CD2 4.47Å; L333-W337 HydrophobicContact CB-CE3 4.38Å; L333-W337 HydrophobicContact CB-CH2 3.61Å; L333-W337 HydrophobicContact CB-CZ2 3.73Å; L333-W337 HydrophobicContact CB-CZ3 3.95Å; L333-W337 HydrophobicContact CD1-CH2 3.94Å; L333-W337 HydrophobicContact CD1-CZ2 4.08Å; L333-W337 HydrophobicContact CG-CH2 4.41Å; L333-W337 HydrophobicContact CG-CZ2 4.41Å; L333-W337 VanDerWaalsContact O-CG 3.3Å; L333-W337 PolarHBondContact O-N 3.07Å; L333-W337 VanDerWaalsContact O-N 3.09Å; E334-W337 CarbonylContact O-C 3.29Å; E334-W337 WeakPolarHBondContact O-CA 3.39Å; E334-W337 PolarHBondContact O-N 3.35Å; W337-S339 PolarHBondContact O-N 3.48Å; W337-S339 VanDerWaalsContact O-N 3.07Å; W337-S380 PolarHBondContact NE1-O 2.85Å; W337-L383 HydrophobicContact CH2-CB 3.64Å; W337-L383 HydrophobicContact CH2-CD1 4.37Å; W337-L383 HydrophobicContact CZ2-CB 3.75Å; W337-A384 HydrophobicContact CZ2-CB 4.42Å
338D77.3Confident74.3Confident54 Ų5438.7 Ų38.729%0.28921%0.206SC..  trans-58.8112.1-177.7176.79.9000110.2E334 T340 S341E334-D338 PolarHBondContact O-N 2.99Å; D338-T340 PolarHBondContact O-N 2.85Å; D338-T340 WeakPolarHBondContact OD1-CA 3.18Å; D338-T340 WeakPolarHBondContact OD1-CB 3.16Å; D338-T340 PolarHBondContact OD1-N 3.18Å; D338-T340 PolarHBondContact OD1-OG1 2.92Å; D338-T340 PolarHBondContact OD2-OG1 3.48Å; D338-S341 WeakPolarHBondContact O-CB 3Å; D338-S341 PolarHBondContact O-N 3.12Å; D338-S341 PolarHBondContact O-OG 2.73Å
339S61.2Low71.7Confident94 Ų9446.6 Ų46.666%0.65724%0.243SC*.THydrogen-bonded Turntrans-66.4-17.3178.653.80000113.5W337W337-S339 PolarHBondContact O-N 3.48Å; W337-S339 VanDerWaalsContact O-N 3.07Å
340T59.6Low68.8Low122 Ų12251.7 Ų51.775%0.74827%0.271SS*.THydrogen-bonded Turntrans-85.1-23.2173.973.50000111.9D338D338-T340 PolarHBondContact O-N 2.85Å; D338-T340 WeakPolarHBondContact OD1-CA 3.18Å; D338-T340 WeakPolarHBondContact OD1-CB 3.16Å; D338-T340 PolarHBondContact OD1-N 3.18Å; D338-T340 PolarHBondContact OD1-OG1 2.92Å; D338-T340 PolarHBondContact OD2-OG1 3.48Å
341S62.8Low65.9Low17 Ų1755.4 Ų55.412%0.11931%0.307CS..SBendtrans-78.7138.9166.787.90000109.3W335 D338 M343W335-S341 PolarHBondContact O-OG 3.43Å; D338-S341 WeakPolarHBondContact O-CB 3Å; D338-S341 PolarHBondContact O-N 3.12Å; D338-S341 PolarHBondContact O-OG 2.73Å; S341-M343 PolarHBondContact O-N 2.9Å; S341-M343 WeakPolarHBondContact OG-CB 2.97Å
342D67.2Low62.9Low72 Ų7260 Ų6039%0.38534%0.336SS..THydrogen-bonded Turntrans-70.31.2178.8-154.111.5000112.9D344 R477 V495 R497D342-D344 VanDerWaalsContact C-N 3.28Å; D342-D344 PolarHBondContact O-N 3.2Å; D342-R477 PolarHBondContact O-NH1 3.4Å; D342-V495 HydrophobicContact CB-CB 4.38Å; D342-V495 HydrophobicContact CB-CG2 3.98Å; D342-V495 WeakPolarHBondContact O-CG2 3.45Å; D342-R497 IonicContact OD1-CZ 2.68Å; D342-R497 IonicContact OD1-NH1 3.25Å; D342-R497 IonicContact OD1-NH2 3.27Å; D342-R497 PolarHBondContact OD1-NH2 3.36Å; D342-R497 IonicContact OD2-CZ 3.94Å; D342-R497 VanDerWaalsContact OD2-CZ 3.31Å; D342-R497 IonicContact OD2-NH1 3.72Å; D342-R497 PolarHBondContact OD2-NH1 2.79Å; D342-R497 IonicContact OD2-NH2 3.65Å; D342-R497 PolarHBondContact OD2-NH2 3.42Å
343M69.3Low59.8Low14 Ų1465 Ų657%0.06937%0.37CS..THydrogen-bonded Turntrans-72.8-20.2-171.8-55-51.1-112.100113.4W335 S341 I479 L481 G493 V495W335-M343 HydrophobicContact CH2-CE 3.21Å; W335-M343 HydrophobicContact CZ2-CE 3.23Å; W335-M343 HydrophobicContact CZ2-CG 4.09Å; W335-M343 HydrophobicContact CZ2-SD 4.39Å; W335-M343 HydrophobicContact CZ3-CE 4.04Å; S341-M343 PolarHBondContact O-N 2.9Å; S341-M343 WeakPolarHBondContact OG-CB 2.97Å; M343-I479 HydrophobicContact CE-CG2 3.74Å; M343-I479 HydrophobicContact SD-CG2 3.94Å; M343-L481 HydrophobicContact CE-CD2 3.22Å; M343-G493 VanDerWaalsContact CE-CA 3.42Å; M343-V495 HydrophobicContact SD-CG2 3.66Å
344D62.1Low56.8Low40 Ų4073.8 Ų73.821%0.21442%0.417CS..  trans28.198.4170.6-155.959.4000117.3D342 P346 R361 R477D342-D344 VanDerWaalsContact C-N 3.28Å; D342-D344 PolarHBondContact O-N 3.2Å; D344-P346 VanDerWaalsContact C-CD 3.49Å; D344-P346 VanDerWaalsContact CG-CD 3.42Å; D344-P346 WeakPolarHBondContact OD1-CD 3.13Å; D344-P346 WeakPolarHBondContact OD1-CG 3.27Å; D344-R361 IonicContact OD1-NH2 3.73Å; D344-R361 IonicContact OD2-CZ 3.85Å; D344-R361 IonicContact OD2-NH2 3.06Å; D344-R361 PolarHBondContact OD2-NH2 3.38Å; D344-R477 VanDerWaalsContact CB-NH1 3.26Å; D344-R477 PolarHBondContact O-NH2 2.87Å; D344-R477 IonicContact OD2-NH2 3.87Å
345L59.1Low54.3Low4 Ų475.3 Ų75.32%0.02143%0.434CS..  trans-12830.5152.1-97.5150.8000115.6Q336 N347 I386Q336-L345 HydrophobicContact CG-CB 4.25Å; Q336-L345 HydrophobicContact CG-CD1 3.48Å; Q336-L345 VanDerWaalsContact CG-CD1 3.48Å; Q336-L345 HydrophobicContact CG-CG 4.47Å; Q336-L345 PolarHBondContact O-N 2.92Å; L345-N347 PolarHBondContact O-N 3.22Å; L345-I386 HydrophobicContact CB-CD1 4.48Å; L345-I386 HydrophobicContact CD2-CD1 3.48Å; L345-I386 VanDerWaalsContact CD2-CD1 3.48Å; L345-I386 VanDerWaalsContact O-CD1 3.3Å; L345-I386 WeakPolarHBondContact O-CD1 3.46Å
346P51.4Low51.5Low31 Ų3182.5 Ų82.520%0.20148%0.475CS..  trans-80.9120173.332.5-30.6000111.3D344 F348 R361D344-P346 VanDerWaalsContact C-CD 3.49Å; D344-P346 VanDerWaalsContact CG-CD 3.42Å; D344-P346 WeakPolarHBondContact OD1-CD 3.13Å; D344-P346 WeakPolarHBondContact OD1-CG 3.27Å; P346-F348 PolarHBondContact O-N 2.92Å; P346-R361 PolarHBondContact O-NH1 3.36Å; P346-R361 PolarHBondContact O-NH2 3.44Å
347N47.1Very low49.1Very low40 Ų4087.2 Ų87.221%0.21450%0.504CS..SBendtrans-67-1.2-176.8-144.69.5000115.3L345 G385 I386L345-N347 PolarHBondContact O-N 3.22Å; N347-G385 VanDerWaalsContact ND2-C 3.28Å; N347-G385 PolarHBondContact ND2-O 2.68Å; N347-I386 HydrophobicContact CB-CD1 4.25Å; N347-I386 HydrophobicContact CB-CG1 3.85Å; N347-I386 WeakPolarHBondContact ND2-CG1 3.39Å
348F42.9Very low47.2Very low140 Ų14091 Ų9161%0.61454%0.537SS*.  trans-13797.2-167.6-72.6-86.9000111.4P346P346-F348 PolarHBondContact O-N 2.92Å
349E39.5Very low45.9Very low167 Ų16792.7 Ų92.778%0.7855%0.549SS*.  trans-77.8135.3150.7-80.9-173.8160.500108.5A351E349-A351 PolarHBondContact O-N 3.08Å
350N33.1Very low46Very low108 Ų10895.7 Ų95.758%0.57855%0.55SS**  trans-47.2132.8171.2-71.9-41.6000109.8T352N350-T352 PolarHBondContact O-N 2.82Å
351A31.8Very low47.2Very low110 Ų11091.9 Ų91.991%0.90952%0.522SS*.SBendtrans-65.936.9174.300000113.6E349E349-A351 PolarHBondContact O-N 3.08Å
352T27.2Very low48.5Very low113 Ų11391.7 Ų91.769%0.69352%0.52SS*.  trans-132.244.6-175.1570000111.6N350N350-T352 PolarHBondContact O-N 2.82Å
353C27.9Very low49.8Very low108 Ų10888.3 Ų88.373%0.7350%0.502SS*.SBendtrans-152.3134153.2-11.20000109.6S355C353-S355 PolarHBondContact O-N 2.86Å
354N28.1Very low51Low185 Ų18587.9 Ų87.999%0.98950%0.499SS*.  trans-66.279.9-172.5-70.8-33.1000113.7
355S33.6Very low52.5Low89 Ų8986.1 Ų86.162%0.62249%0.49SS*.  trans-135.1121.215777.50000110.6C353 T357C353-S355 PolarHBondContact O-N 2.86Å; S355-T357 PolarHBondContact O-N 3.45Å
356N30.1Very low54Low175 Ų17586.2 Ų86.294%0.93649%0.491SS*.SBendtrans-77.829-167.1-104.2-10.6000114.7
357T35.4Very low55.7Low108 Ų10885.9 Ų85.966%0.66349%0.488SS*.  trans-145.286.2179.839.10000111.2S355 V359S355-T357 PolarHBondContact O-N 3.45Å; T357-V359 VanDerWaalsContact C-N 3.33Å; T357-V359 PolarHBondContact O-N 3.23Å
358S45Very low57.4Low121 Ų12184.5 Ų84.585%0.84648%0.482SS*.  trans-68.490.7164.8470000109.4K360S358-K360 PolarHBondContact O-N 3.38Å; S358-K360 VanDerWaalsContact O-N 3.07Å
359V49.5Very low59.5Low88 Ų8878.4 Ų78.453%0.53346%0.455SS..  trans-69107.3178.6-1770000108.4T357 R361T357-V359 VanDerWaalsContact C-N 3.33Å; T357-V359 PolarHBondContact O-N 3.23Å; V359-R361 PolarHBondContact O-N 3.24Å; V359-R361 VanDerWaalsContact O-N 3.16Å
360K63.7Low61.6Low158 Ų15872 Ų7269%0.68743%0.434SS*.  trans-56.5118.7173.3-81-178.2175.1178.30109.5S358S358-K360 PolarHBondContact O-N 3.38Å; S358-K360 VanDerWaalsContact O-N 3.07Å
361R84.3Confident64.1Low42 Ų4269.5 Ų69.516%0.15842%0.418CS..  trans-66.6138.9172.1-67.3-174.2174.783.3-13.7109.1D344 P346 V359 I386 P387 S418D344-R361 IonicContact OD1-NH2 3.73Å; D344-R361 IonicContact OD2-CZ 3.85Å; D344-R361 IonicContact OD2-NH2 3.06Å; D344-R361 PolarHBondContact OD2-NH2 3.38Å; P346-R361 PolarHBondContact O-NH1 3.36Å; P346-R361 PolarHBondContact O-NH2 3.44Å; V359-R361 PolarHBondContact O-N 3.24Å; V359-R361 VanDerWaalsContact O-N 3.16Å; R361-I386 HydrophobicContact CB-CD1 4.29Å; R361-I386 HydrophobicContact CB-CG1 4.47Å; R361-I386 HydrophobicContact CB-CG2 4.09Å; R361-I386 WeakPolarHBondContact O-CG2 3.24Å; R361-P387 WeakPolarHBondContact O-CD 3.38Å; R361-S418 WeakPolarHBondContact CA-OG 3.31Å
362I91.6Very high66.9Low13 Ų1364.6 Ų64.67%0.06738%0.376CS..  trans-138.7121.4178.2-64.1175.6000108.3W32 P387 V389 F415 I417 S418 H419W32-I362 HydrophobicContact CH2-CD1 3.98Å; W32-I362 HydrophobicContact CZ3-CD1 3.94Å; W32-I362 HydrophobicContact CZ3-CG1 4.21Å; W32-I362 HydrophobicContact CZ3-CG2 4.01Å; I362-P387 WeakPolarHBondContact CA-O 3.32Å; I362-P387 HydrophobicContact CG1-CB 4.47Å; I362-V389 HydrophobicContact CG2-CG2 3.92Å; I362-F415 WeakPolarHBondContact CD1-O 3.34Å; I362-I417 HydrophobicContact CG2-CG1 4.5Å; I362-S418 PolarHBondContact N-OG 3.02Å; I362-S418 PolarHBondContact O-N 2.68Å; I362-S418 PolarHBondContact O-OG 3.45Å; I362-H419 PolarHBondContact O-N 3.41Å
363G93.3Very high70Confident1 Ų160.3 Ų60.31%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-90.6161.8178.700000113.1P387 V388 V389G363-P387 PolarHBondContact N-O 2.85Å; G363-V388 WeakPolarHBondContact O-CA 3.4Å; G363-V389 PolarHBondContact O-N 3.19Å
364L94.8Very high73Confident4 Ų455.3 Ų55.32%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-123.1111.5174.1178.162.6000109.9K366 V389 P391 I402 L408 I417 H419 I420L364-K366 HydrophobicContact CD1-CB 4.44Å; L364-K366 HydrophobicContact CD2-CB 4.46Å; L364-K366 HydrophobicContact CD2-CD 3.92Å; L364-K366 HydrophobicContact CG-CB 4.08Å; L364-K366 HydrophobicContact CG-CD 4.23Å; L364-V389 HydrophobicContact CD1-CB 4.03Å; L364-V389 HydrophobicContact CD1-CG1 4.09Å; L364-P391 HydrophobicContact CD1-CG 4Å; L364-I402 HydrophobicContact CD2-CG2 4.28Å; L364-L408 HydrophobicContact CD2-CD1 3.81Å; L364-I417 HydrophobicContact CB-CD1 4.23Å; L364-I417 HydrophobicContact CB-CG2 3.9Å; L364-I417 HydrophobicContact CD1-CD1 3.97Å; L364-I417 HydrophobicContact CD2-CD1 4.13Å; L364-I417 HydrophobicContact CG-CD1 4.33Å; L364-H419 PolarHBondContact N-O 2.79Å; L364-I420 HydrophobicContact CB-CG1 4.34Å; L364-I420 HydrophobicContact CD2-CD1 4.4Å; L364-I420 HydrophobicContact CD2-CG1 4.15Å; L364-I420 HydrophobicContact CD2-CG2 4.43Å
365A94Very high76.2Confident3 Ų346.8 Ų46.83%0.02527%0.27CS..  trans-98.289.8176.300000110.3E377 L378 V388 V389 V390 P391A365-E377 WeakPolarHBondContact CA-OE2 3.33Å; A365-E377 HydrophobicContact CB-CB 4.11Å; A365-L378 HydrophobicContact CB-CB 4.17Å; A365-L378 HydrophobicContact CB-CD1 4.26Å; A365-V388 HydrophobicContact CB-CG2 3.6Å; A365-V389 PolarHBondContact N-O 3.08Å; A365-V390 HydrophobicContact CB-CG2 4.33Å; A365-P391 WeakPolarHBondContact O-CD 3.48Å
366K90.3Very high79Confident6 Ų642.8 Ų42.83%0.02624%0.242CC..  trans-117.6-18.5-169.878.6-159.3-167.1-38.50113.2L364 E377 P391 S398 E399 I402 I420 T421L364-K366 HydrophobicContact CD1-CB 4.44Å; L364-K366 HydrophobicContact CD2-CB 4.46Å; L364-K366 HydrophobicContact CD2-CD 3.92Å; L364-K366 HydrophobicContact CG-CB 4.08Å; L364-K366 HydrophobicContact CG-CD 4.23Å; K366-E377 PolarHBondContact N-OE2 2.85Å; K366-E377 IonicContact NZ-OE1 2.67Å; K366-E377 PolarHBondContact NZ-OE1 3.11Å; K366-P391 HydrophobicContact CB-CG 3.95Å; K366-S398 CarbonylContact O-C 3.2Å; K366-S398 VanDerWaalsContact O-C 3.29Å; K366-S398 WeakPolarHBondContact O-CB 3.46Å; K366-E399 WeakPolarHBondContact O-CA 3.47Å; K366-E399 PolarHBondContact O-N 3.41Å; K366-E399 VanDerWaalsContact O-N 3.15Å; K366-I402 HydrophobicContact CB-CG1 3.93Å; K366-I402 HydrophobicContact CB-CG2 4.02Å; K366-I402 HydrophobicContact CD-CB 4.12Å; K366-I402 HydrophobicContact CD-CD1 3.71Å; K366-I402 HydrophobicContact CD-CG1 3.59Å; K366-I402 HydrophobicContact CD-CG2 4.12Å; K366-I402 HydrophobicContact CG-CD1 4.06Å; K366-I402 HydrophobicContact CG-CG1 3.72Å; K366-I402 HydrophobicContact CG-CG2 4.45Å; K366-I420 HydrophobicContact CD-CG2 4.35Å; K366-T421 WeakPolarHBondContact CE-O 3.43Å; K366-T421 PolarHBondContact NZ-O 2.77Å
367T87.3Confident82Confident24 Ų2434.8 Ų34.815%0.14720%0.199CC..SBendtrans-69143.3-171.8-67.40000110.1W369 F371 D373 A374 E377T367-W369 PolarHBondContact O-N 3.09Å; T367-F371 HydrophobicContact CG2-CB 4Å; T367-F371 HydrophobicContact CG2-CD2 4.4Å; T367-D373 HydrophobicContact CG2-CB 3.93Å; T367-A374 HydrophobicContact CG2-CB 4.5Å; T367-A374 WeakPolarHBondContact O-CB 3.17Å; T367-E377 WeakPolarHBondContact CB-OE2 3.46Å; T367-E377 PolarHBondContact N-OE2 2.89Å; T367-E377 PolarHBondContact OG1-OE1 2.79Å; T367-E377 PolarHBondContact OG1-OE2 3.49Å
368A82.7Confident84.9Confident11 Ų1129.6 Ų29.69%0.09117%0.167CC..  trans-56.1135.9178.100000110.2G370 F371 E399A368-G370 PolarHBondContact O-N 3.19Å; A368-G370 VanDerWaalsContact O-N 3.08Å; A368-F371 HydrophobicContact CB-CD2 3.85Å; A368-F371 HydrophobicContact CB-CE2 3.99Å; A368-F371 WeakPolarHBondContact O-CD2 3.01Å; A368-F371 PolarHBondContact O-N 3.17Å; A368-E399 HydrophobicContact CB-CB 4.46Å; A368-E399 HydrophobicContact CB-CG 4.12Å
369W86Confident87.3Confident13 Ų1324 Ų245%0.04913%0.127CC..THydrogen-bonded Turntrans-73.7-7.6-165.4-60.688.2000115P162 I167 P182 T367 F371 A374 L378 V390P162-W369 HydrophobicContact CB-CZ2 4.35Å; I167-W369 HydrophobicContact CG1-CH2 4.33Å; P182-W369 HydrophobicContact CB-CB 4.24Å; P182-W369 WeakPolarHBondContact CB-O 2.71Å; P182-W369 WeakPolarHBondContact CG-O 3.29Å; T367-W369 PolarHBondContact O-N 3.09Å; W369-F371 PolarHBondContact O-N 3.31Å; W369-A374 HydrophobicContact CD2-CB 4.37Å; W369-A374 HydrophobicContact CE3-CB 4.04Å; W369-L378 HydrophobicContact CH2-CD2 3.9Å; W369-L378 HydrophobicContact CZ3-CD2 3.76Å; W369-V390 HydrophobicContact CZ2-CG1 4.15Å
370G83.2Confident89.2Confident32 Ų3219.9 Ų19.933%0.3310%0.103SC..THydrogen-bonded Turntrans-74.3-4.4169.500000113.8A368A368-G370 PolarHBondContact O-N 3.19Å; A368-G370 VanDerWaalsContact O-N 3.08Å
371F85.7Confident90.6Very high56 Ų5612.5 Ų12.525%0.2467%0.071CC..SBendtrans-109.8147.8178.4-59.7-81.5000111.5T367 A368 W369 D373 A374 I673T367-F371 HydrophobicContact CG2-CB 4Å; T367-F371 HydrophobicContact CG2-CD2 4.4Å; A368-F371 HydrophobicContact CB-CD2 3.85Å; A368-F371 HydrophobicContact CB-CE2 3.99Å; A368-F371 WeakPolarHBondContact O-CD2 3.01Å; A368-F371 PolarHBondContact O-N 3.17Å; W369-F371 PolarHBondContact O-N 3.31Å; F371-D373 PolarHBondContact O-N 3.37Å; F371-A374 WeakPolarHBondContact O-CB 3.4Å; F371-A374 PolarHBondContact O-N 3.02Å; F371-A374 VanDerWaalsContact O-N 3.16Å; F371-I673 HydrophobicContact CE1-CB 4.47Å; F371-I673 HydrophobicContact CE1-CG1 3.97Å; F371-I673 HydrophobicContact CE1-CG2 4.12Å; F371-I673 HydrophobicContact CZ-CD1 3.82Å; F371-I673 HydrophobicContact CZ-CG1 3.72Å; F371-I673 HydrophobicContact CZ-CG2 4.18Å
372V91.8Very high90.9Very high6 Ų610.6 Ų10.64%0.0366%0.064CC..Hα-helixtrans-65.2-25.8179.867.30000112.3L309 L324 A374 F375 T376L309-V372 HydrophobicContact CD1-CB 3.7Å; L309-V372 HydrophobicContact CD1-CG2 4.37Å; L324-V372 HydrophobicContact CD1-CG2 4.03Å; V372-A374 PolarHBondContact O-N 2.68Å; V372-F375 WeakPolarHBondContact O-CA 3.27Å; V372-F375 VanDerWaalsContact O-CB 3.28Å; V372-F375 WeakPolarHBondContact O-CB 3.15Å; V372-F375 PolarHBondContact O-N 3.37Å; V372-T376 PolarHBondContact O-N 3.14Å; V372-T376 VanDerWaalsContact O-N 3.11Å
373D91Very high90.9Very high24 Ų2410.2 Ų10.213%0.1286%0.062CC..Hα-helixtrans-61.9-29.5175.1-59.5-65.5000112.7T367 F371 F375 T376 E377T367-D373 HydrophobicContact CG2-CB 3.93Å; F371-D373 PolarHBondContact O-N 3.37Å; D373-F375 VanDerWaalsContact C-N 3.28Å; D373-F375 PolarHBondContact O-N 3.35Å; D373-T376 WeakPolarHBondContact CA-OG1 3.45Å; D373-T376 PolarHBondContact O-N 2.62Å; D373-T376 PolarHBondContact O-OG1 2.64Å; D373-T376 VanDerWaalsContact O-OG1 3.11Å; D373-E377 VanDerWaalsContact O-CB 3.27Å; D373-E377 WeakPolarHBondContact O-CB 3.46Å; D373-E377 VanDerWaalsContact O-CG 3.22Å; D373-E377 WeakPolarHBondContact O-CG 3.43Å; D373-E377 PolarHBondContact O-N 3.46Å
374A91.6Very high90.6Very high3 Ų311 Ų113%0.0257%0.068CC..Hα-helixtrans-65.6-3517400000111.6T367 W369 F371 V372 L378T367-A374 HydrophobicContact CG2-CB 4.5Å; T367-A374 WeakPolarHBondContact O-CB 3.17Å; W369-A374 HydrophobicContact CD2-CB 4.37Å; W369-A374 HydrophobicContact CE3-CB 4.04Å; F371-A374 WeakPolarHBondContact O-CB 3.4Å; F371-A374 PolarHBondContact O-N 3.02Å; F371-A374 VanDerWaalsContact O-N 3.16Å; V372-A374 PolarHBondContact O-N 2.68Å; A374-L378 VanDerWaalsContact O-CB 3.31Å; A374-L378 WeakPolarHBondContact O-CB 3.04Å; A374-L378 PolarHBondContact O-N 3.15Å
375F95.2Very high90.3Very high6 Ų610.9 Ų10.93%0.0267%0.069CC..Hα-helixtrans-66.8-47.9173.5178-82.4000110.7L13 M174 Y180 L307 L329 L333 V372 D373 L378 F379L13-F375 HydrophobicContact CD1-CZ 3.83Å; M174-F375 HydrophobicContact CE-CE2 3.7Å; M174-F375 HydrophobicContact CE-CZ 4.49Å; Y180-F375 WeakPolarHBondContact OH-CD2 3.38Å; L307-F375 HydrophobicContact CD2-CB 4Å; L307-F375 HydrophobicContact CD2-CD2 3.99Å; L307-F375 HydrophobicContact CD2-CG 4.16Å; L329-F375 HydrophobicContact CB-CE1 3.84Å; L329-F375 HydrophobicContact CB-CZ 3.91Å; L329-F375 HydrophobicContact CD1-CE1 4.24Å; L329-F375 HydrophobicContact CD1-CE2 3.97Å; L329-F375 HydrophobicContact CD1-CZ 3.78Å; L329-F375 HydrophobicContact CD2-CD1 3.8Å; L329-F375 HydrophobicContact CD2-CE1 3.69Å; L329-F375 HydrophobicContact CD2-CG 4.32Å; L329-F375 HydrophobicContact CD2-CZ 4.09Å; L329-F375 HydrophobicContact CG-CE1 4.12Å; L329-F375 HydrophobicContact CG-CZ 4.14Å; L333-F375 HydrophobicContact CD1-CE1 4.04Å; L333-F375 HydrophobicContact CD2-CE1 4.48Å; L333-F375 HydrophobicContact CG-CE1 4.4Å; V372-F375 WeakPolarHBondContact O-CA 3.27Å; V372-F375 VanDerWaalsContact O-CB 3.28Å; V372-F375 WeakPolarHBondContact O-CB 3.15Å; V372-F375 PolarHBondContact O-N 3.37Å; D373-F375 VanDerWaalsContact C-N 3.28Å; D373-F375 PolarHBondContact O-N 3.35Å; F375-L378 PolarHBondContact O-N 3.02Å; F375-F379 HydrophobicContact CD1-CD2 4.42Å; F375-F379 AromaticContact CD2-CD2 3.45Å; F375-F379 HydrophobicContact CD2-CD2 3.45Å; F375-F379 VanDerWaalsContact CD2-CD2 3.45Å; F375-F379 AromaticContact CD2-CE2 3.84Å; F375-F379 HydrophobicContact CD2-CE2 3.84Å; F375-F379 HydrophobicContact CD2-CG 4.44Å; F375-F379 HydrophobicContact CE1-CB 4.16Å; F375-F379 HydrophobicContact CE1-CD2 4.41Å; F375-F379 AromaticContact CE2-CD2 3.46Å; F375-F379 HydrophobicContact CE2-CD2 3.46Å; F375-F379 VanDerWaalsContact CE2-CD2 3.46Å; F375-F379 AromaticContact CE2-CE2 3.9Å; F375-F379 HydrophobicContact CE2-CE2 3.9Å; F375-F379 HydrophobicContact CE2-CG 4.11Å; F375-F379 AromaticContact CG-CD2 3.95Å; F375-F379 HydrophobicContact CG-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CB 4.13Å; F375-F379 AromaticContact CZ-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CG 4.19Å; F375-F379 WeakPolarHBondContact O-CB 3.15Å; F375-F379 PolarHBondContact O-N 2.98Å
376T93.3Very high90.1Very high4 Ų410.8 Ų10.83%0.0257%0.067CC..Hα-helixtrans-69.3-42.2-177.659.40000111.5R332 L333 V372 D373 L378 S380R332-T376 HydrophobicContact CG-CG2 4.16Å; L333-T376 HydrophobicContact CD2-CG2 4.47Å; V372-T376 PolarHBondContact O-N 3.14Å; V372-T376 VanDerWaalsContact O-N 3.11Å; D373-T376 WeakPolarHBondContact CA-OG1 3.45Å; D373-T376 PolarHBondContact O-N 2.62Å; D373-T376 PolarHBondContact O-OG1 2.64Å; D373-T376 VanDerWaalsContact O-OG1 3.11Å; T376-L378 VanDerWaalsContact C-N 3.29Å; T376-L378 PolarHBondContact O-N 3.07Å; T376-S380 WeakPolarHBondContact O-CB 3.19Å; T376-S380 PolarHBondContact O-N 3.37Å; T376-S380 PolarHBondContact O-OG 3.09Å
377E93.4Very high90.2Very high7 Ų711.2 Ų11.23%0.0337%0.071CC..Hα-helixtrans-56.1-42.9174.8-75.8177.2177.100111.7A365 K366 T367 D373 C381 T421A365-E377 WeakPolarHBondContact CA-OE2 3.33Å; A365-E377 HydrophobicContact CB-CB 4.11Å; K366-E377 PolarHBondContact N-OE2 2.85Å; K366-E377 IonicContact NZ-OE1 2.67Å; K366-E377 PolarHBondContact NZ-OE1 3.11Å; T367-E377 WeakPolarHBondContact CB-OE2 3.46Å; T367-E377 PolarHBondContact N-OE2 2.89Å; T367-E377 PolarHBondContact OG1-OE1 2.79Å; T367-E377 PolarHBondContact OG1-OE2 3.49Å; D373-E377 VanDerWaalsContact O-CB 3.27Å; D373-E377 WeakPolarHBondContact O-CB 3.46Å; D373-E377 VanDerWaalsContact O-CG 3.22Å; D373-E377 WeakPolarHBondContact O-CG 3.43Å; D373-E377 PolarHBondContact O-N 3.46Å; E377-C381 PolarHBondContact O-SG 3.38Å; E377-C381 VanDerWaalsContact O-SG 3.37Å; E377-T421 WeakPolarHBondContact OE1-CB 3.36Å
378L95.1Very high90.6Very high0 Ų010 Ų100%06%0.064CC..Hα-helixtrans-77.8-58.7-178-17969.6000112.7I167 A365 W369 A374 F375 T376 C381 L382 V388 V390I167-L378 HydrophobicContact CD1-CD1 3.83Å; I167-L378 HydrophobicContact CD1-CD2 4.32Å; I167-L378 HydrophobicContact CG1-CD1 4.28Å; I167-L378 HydrophobicContact CG1-CD2 3.85Å; I167-L378 HydrophobicContact CG2-CD2 4.15Å; A365-L378 HydrophobicContact CB-CB 4.17Å; A365-L378 HydrophobicContact CB-CD1 4.26Å; W369-L378 HydrophobicContact CH2-CD2 3.9Å; W369-L378 HydrophobicContact CZ3-CD2 3.76Å; A374-L378 VanDerWaalsContact O-CB 3.31Å; A374-L378 WeakPolarHBondContact O-CB 3.04Å; A374-L378 PolarHBondContact O-N 3.15Å; F375-L378 PolarHBondContact O-N 3.02Å; T376-L378 VanDerWaalsContact C-N 3.29Å; T376-L378 PolarHBondContact O-N 3.07Å; L378-C381 PolarHBondContact O-N 3.07Å; L378-L382 HydrophobicContact CD1-CD1 3.69Å; L378-L382 HydrophobicContact CD1-CG 4.24Å; L378-L382 HydrophobicContact CG-CD1 3.91Å; L378-L382 WeakPolarHBondContact O-CG 3.5Å; L378-L382 PolarHBondContact O-N 3.37Å; L378-V388 HydrophobicContact CD1-CG1 3.88Å; L378-V388 HydrophobicContact CD1-CG2 4.5Å; L378-V390 HydrophobicContact CD1-CG2 4.41Å
379F94.7Very high91.2Very high2 Ų29.5 Ų9.51%0.0096%0.059CC..Hα-helixtrans-82.1-22.4-168.3-71.2-73.3000113.3Q170 I171 M174 L333 F375 C381 L383Q170-F379 HydrophobicContact CB-CZ 4.14Å; I171-F379 HydrophobicContact CG1-CE1 3.92Å; I171-F379 HydrophobicContact CG1-CZ 4.34Å; M174-F379 HydrophobicContact CE-CD1 4.26Å; M174-F379 HydrophobicContact CE-CD2 4.13Å; M174-F379 HydrophobicContact CE-CE1 3.7Å; M174-F379 HydrophobicContact CE-CE2 3.54Å; M174-F379 HydrophobicContact CE-CG 4.46Å; M174-F379 HydrophobicContact CE-CZ 3.31Å; M174-F379 HydrophobicContact SD-CE1 4.11Å; M174-F379 HydrophobicContact SD-CZ 4.24Å; L333-F379 HydrophobicContact CD1-CB 4.13Å; F375-F379 HydrophobicContact CD1-CD2 4.42Å; F375-F379 AromaticContact CD2-CD2 3.45Å; F375-F379 HydrophobicContact CD2-CD2 3.45Å; F375-F379 VanDerWaalsContact CD2-CD2 3.45Å; F375-F379 AromaticContact CD2-CE2 3.84Å; F375-F379 HydrophobicContact CD2-CE2 3.84Å; F375-F379 HydrophobicContact CD2-CG 4.44Å; F375-F379 HydrophobicContact CE1-CB 4.16Å; F375-F379 HydrophobicContact CE1-CD2 4.41Å; F375-F379 AromaticContact CE2-CD2 3.46Å; F375-F379 HydrophobicContact CE2-CD2 3.46Å; F375-F379 VanDerWaalsContact CE2-CD2 3.46Å; F375-F379 AromaticContact CE2-CE2 3.9Å; F375-F379 HydrophobicContact CE2-CE2 3.9Å; F375-F379 HydrophobicContact CE2-CG 4.11Å; F375-F379 AromaticContact CG-CD2 3.95Å; F375-F379 HydrophobicContact CG-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CB 4.13Å; F375-F379 AromaticContact CZ-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CG 4.19Å; F375-F379 WeakPolarHBondContact O-CB 3.15Å; F375-F379 PolarHBondContact O-N 2.98Å; F379-C381 PolarHBondContact O-N 3.39Å; F379-L383 HydrophobicContact CB-CD1 4.06Å; F379-L383 HydrophobicContact CB-CG 4.29Å; F379-L383 HydrophobicContact CD1-CD1 4.29Å; F379-L383 HydrophobicContact CD1-CD2 4.4Å; F379-L383 HydrophobicContact CD1-CG 4.22Å; F379-L383 VanDerWaalsContact O-CB 3.28Å; F379-L383 WeakPolarHBondContact O-CB 3.31Å; F379-L383 VanDerWaalsContact O-CG 3.29Å; F379-L383 WeakPolarHBondContact O-CG 3.48Å; F379-L383 PolarHBondContact O-N 2.97Å; F379-L383 VanDerWaalsContact O-N 3.08Å
380S90.8Very high91.6Very high2 Ų28.9 Ų8.91%0.0146%0.057CC..Hα-helixtrans-62.5-33.1168.268.80000111.6W337 T376 A384W337-S380 PolarHBondContact NE1-O 2.85Å; T376-S380 WeakPolarHBondContact O-CB 3.19Å; T376-S380 PolarHBondContact O-N 3.37Å; T376-S380 PolarHBondContact O-OG 3.09Å; S380-A384 WeakPolarHBondContact O-CB 3.48Å
381C91.7Very high92Very high4 Ų47.4 Ų7.43%0.0274%0.041CC..Hα-helixtrans-79.4-58.3177.2-63.90000110.7E377 L378 F379 L383 A384 G385 I386 V388E377-C381 PolarHBondContact O-SG 3.38Å; E377-C381 VanDerWaalsContact O-SG 3.37Å; L378-C381 PolarHBondContact O-N 3.07Å; F379-C381 PolarHBondContact O-N 3.39Å; C381-L383 PolarHBondContact O-N 3.07Å; C381-A384 PolarHBondContact O-N 2.9Å; C381-A384 VanDerWaalsContact O-N 3.1Å; C381-G385 PolarHBondContact O-N 3.19Å; C381-I386 CarbonylContact C-O 3.58Å; C381-I386 VanDerWaalsContact C-O 3.28Å; C381-I386 HydrophobicContact CB-CB 4.04Å; C381-I386 HydrophobicContact CB-CG2 4.03Å; C381-I386 WeakPolarHBondContact CB-O 3.21Å; C381-I386 WeakPolarHBondContact O-CB 3.44Å; C381-I386 PolarHBondContact O-N 3.01Å; C381-V388 HydrophobicContact CB-CB 4.13Å; C381-V388 HydrophobicContact CB-CG2 4.48Å
382L92.2Very high91.8Very high1 Ų14.7 Ų4.71%0.0053%0.03CC..Hα-helixtrans-59.8-42.7-172.7-70.1-177.7000112.8L20 A30 I31 F101 L104 I167 L378 A384 G385 V388L20-L382 WeakPolarHBondContact CD1-O 3.41Å; A30-L382 HydrophobicContact CB-CD2 4.03Å; I31-L382 HydrophobicContact CD1-CD1 4.39Å; I31-L382 HydrophobicContact CG1-CD2 3.92Å; F101-L382 HydrophobicContact CE1-CD2 4.19Å; F101-L382 VanDerWaalsContact CE1-O 3.27Å; F101-L382 WeakPolarHBondContact CE1-O 3.43Å; L104-L382 HydrophobicContact CD2-CD1 4.14Å; L104-L382 HydrophobicContact CD2-CD2 4.4Å; I167-L382 HydrophobicContact CG2-CD1 4.02Å; L378-L382 HydrophobicContact CD1-CD1 3.69Å; L378-L382 HydrophobicContact CD1-CG 4.24Å; L378-L382 HydrophobicContact CG-CD1 3.91Å; L378-L382 WeakPolarHBondContact O-CG 3.5Å; L378-L382 PolarHBondContact O-N 3.37Å; L382-A384 VanDerWaalsContact C-N 3.26Å; L382-A384 PolarHBondContact O-N 3.31Å; L382-G385 PolarHBondContact O-N 3.04Å; L382-V388 HydrophobicContact CD2-CG1 3.75Å; L382-V388 HydrophobicContact CG-CG1 4.06Å
383L91.3Very high91.3Very high5 Ų54.5 Ų4.53%0.0263%0.029CC..THydrogen-bonded Turntrans-77-14.2-177.1-54.7179.5000112.9L13 L16 L17 L333 W337 F379 C381L13-L383 HydrophobicContact CB-CD1 4.17Å; L13-L383 HydrophobicContact CD2-CD1 3.75Å; L16-L383 HydrophobicContact CB-CB 4.12Å; L16-L383 HydrophobicContact CB-CD2 4.24Å; L16-L383 HydrophobicContact CD1-CB 4.06Å; L16-L383 HydrophobicContact CD1-CD1 4.13Å; L17-L383 HydrophobicContact CB-CD2 4Å; L333-L383 HydrophobicContact CD1-CD1 3.88Å; W337-L383 HydrophobicContact CH2-CB 3.64Å; W337-L383 HydrophobicContact CH2-CD1 4.37Å; W337-L383 HydrophobicContact CZ2-CB 3.75Å; F379-L383 HydrophobicContact CB-CD1 4.06Å; F379-L383 HydrophobicContact CB-CG 4.29Å; F379-L383 HydrophobicContact CD1-CD1 4.29Å; F379-L383 HydrophobicContact CD1-CD2 4.4Å; F379-L383 HydrophobicContact CD1-CG 4.22Å; F379-L383 VanDerWaalsContact O-CB 3.28Å; F379-L383 WeakPolarHBondContact O-CB 3.31Å; F379-L383 VanDerWaalsContact O-CG 3.29Å; F379-L383 WeakPolarHBondContact O-CG 3.48Å; F379-L383 PolarHBondContact O-N 2.97Å; F379-L383 VanDerWaalsContact O-N 3.08Å; C381-L383 PolarHBondContact O-N 3.07Å
384A87.2Confident90.7Very high17 Ų174.9 Ų4.914%0.143%0.033CC..THydrogen-bonded Turntrans-93.51.5170.700000113.8W337 S380 C381 L382 I386W337-A384 HydrophobicContact CZ2-CB 4.42Å; S380-A384 WeakPolarHBondContact O-CB 3.48Å; C381-A384 PolarHBondContact O-N 2.9Å; C381-A384 VanDerWaalsContact O-N 3.1Å; L382-A384 VanDerWaalsContact C-N 3.26Å; L382-A384 PolarHBondContact O-N 3.31Å; A384-I386 VanDerWaalsContact C-N 3.28Å; A384-I386 HydrophobicContact CB-CD1 4.11Å; A384-I386 HydrophobicContact CB-CG1 4.21Å
385G88Confident89.5Confident3 Ų36.9 Ų6.93%0.0315%0.05CC..THydrogen-bonded Turntrans7518-175.800000113.9I25 F101 N347 C381 L382I25-G385 VanDerWaalsContact CD1-CA 3.43Å; F101-G385 VanDerWaalsContact CZ-C 3.5Å; N347-G385 VanDerWaalsContact ND2-C 3.28Å; N347-G385 PolarHBondContact ND2-O 2.68Å; C381-G385 PolarHBondContact O-N 3.19Å; L382-G385 PolarHBondContact O-N 3.04Å
386I89.1Confident88.3Confident0 Ų07.1 Ų7.10%05%0.052CC..  trans-91.9126.8178.9-65.6173.7000108.8L345 N347 R361 C381 A384L345-I386 HydrophobicContact CB-CD1 4.48Å; L345-I386 HydrophobicContact CD2-CD1 3.48Å; L345-I386 VanDerWaalsContact CD2-CD1 3.48Å; L345-I386 VanDerWaalsContact O-CD1 3.3Å; L345-I386 WeakPolarHBondContact O-CD1 3.46Å; N347-I386 HydrophobicContact CB-CD1 4.25Å; N347-I386 HydrophobicContact CB-CG1 3.85Å; N347-I386 WeakPolarHBondContact ND2-CG1 3.39Å; R361-I386 HydrophobicContact CB-CD1 4.29Å; R361-I386 HydrophobicContact CB-CG1 4.47Å; R361-I386 HydrophobicContact CB-CG2 4.09Å; R361-I386 WeakPolarHBondContact O-CG2 3.24Å; C381-I386 CarbonylContact C-O 3.58Å; C381-I386 VanDerWaalsContact C-O 3.28Å; C381-I386 HydrophobicContact CB-CB 4.04Å; C381-I386 HydrophobicContact CB-CG2 4.03Å; C381-I386 WeakPolarHBondContact CB-O 3.21Å; C381-I386 WeakPolarHBondContact O-CB 3.44Å; C381-I386 PolarHBondContact O-N 3.01Å; A384-I386 VanDerWaalsContact C-N 3.28Å; A384-I386 HydrophobicContact CB-CD1 4.11Å; A384-I386 HydrophobicContact CB-CG1 4.21Å
387P92.7Very high87.2Confident15 Ų157.6 Ų7.610%0.0976%0.055CC..  trans-62.6146.3174.8-22.332.8000112.7T29 A30 W32 R361 I362 G363T29-P387 WeakPolarHBondContact O-CB 3.35Å; T29-P387 VanDerWaalsContact O-CG 3.32Å; T29-P387 WeakPolarHBondContact O-CG 3.5Å; A30-P387 CarbonylContact O-C 3.58Å; A30-P387 WeakPolarHBondContact O-CA 2.85Å; W32-P387 HydrophobicContact CE3-CB 4.15Å; W32-P387 HydrophobicContact CH2-CB 3.73Å; W32-P387 HydrophobicContact CH2-CG 4.29Å; W32-P387 HydrophobicContact CZ3-CB 3.3Å; W32-P387 HydrophobicContact CZ3-CG 4.3Å; R361-P387 WeakPolarHBondContact O-CD 3.38Å; I362-P387 WeakPolarHBondContact CA-O 3.32Å; I362-P387 HydrophobicContact CG1-CB 4.47Å; G363-P387 PolarHBondContact N-O 2.85Å
388V95.1Very high86.3Confident0 Ų07.3 Ų7.30%05%0.054CC..EExtended strand (participates in β ladder)trans-128.7137.5-178.968.90000112A30 I31 W32 G363 A365 L378 C381 L382 V390A30-V388 PolarHBondContact O-N 3.48Å; I31-V388 WeakPolarHBondContact CA-O 3.49Å; I31-V388 HydrophobicContact CG1-CG1 4Å; W32-V388 PolarHBondContact N-O 3.47Å; G363-V388 WeakPolarHBondContact O-CA 3.4Å; A365-V388 HydrophobicContact CB-CG2 3.6Å; L378-V388 HydrophobicContact CD1-CG1 3.88Å; L378-V388 HydrophobicContact CD1-CG2 4.5Å; C381-V388 HydrophobicContact CB-CB 4.13Å; C381-V388 HydrophobicContact CB-CG2 4.48Å; L382-V388 HydrophobicContact CD2-CG1 3.75Å; L382-V388 HydrophobicContact CG-CG1 4.06Å; V388-V390 HydrophobicContact CG1-CG2 4.25Å
389V95.8Very high84.9Confident0 Ų09.6 Ų9.60%07%0.065CC..EExtended strand (participates in β ladder)trans-93.3129.8170.5-177.60000108.7W32 V34 I362 G363 L364 A365 F415 I417W32-V389 HydrophobicContact CB-CG2 4.45Å; W32-V389 HydrophobicContact CE3-CG2 4.05Å; W32-V389 CarbonylContact O-C 3.56Å; W32-V389 WeakPolarHBondContact O-CA 3.49Å; V34-V389 HydrophobicContact CG2-CG1 4.15Å; I362-V389 HydrophobicContact CG2-CG2 3.92Å; G363-V389 PolarHBondContact O-N 3.19Å; L364-V389 HydrophobicContact CD1-CB 4.03Å; L364-V389 HydrophobicContact CD1-CG1 4.09Å; A365-V389 PolarHBondContact N-O 3.08Å; V389-F415 HydrophobicContact CG1-CD2 3.96Å; V389-F415 HydrophobicContact CG1-CE2 4.1Å; V389-F415 HydrophobicContact CG1-CG 4.37Å; V389-F415 HydrophobicContact CG2-CB 3.58Å; V389-F415 HydrophobicContact CG2-CD1 3.95Å; V389-F415 HydrophobicContact CG2-CD2 3.96Å; V389-F415 HydrophobicContact CG2-CG 3.55Å; V389-I417 HydrophobicContact CG2-CD1 4.43Å; V389-I417 HydrophobicContact CG2-CG1 4.23Å
390V94.5Very high83.5Confident0 Ų012.6 Ų12.60%08%0.078CC..EExtended strand (participates in β ladder)trans-120.197.3-179.9-175.70000108.1I31 W32 H33 V34 P162 I167 A365 W369 L378 V388I31-V390 HydrophobicContact CG2-CG2 4.02Å; W32-V390 PolarHBondContact O-N 3.11Å; H33-V390 WeakPolarHBondContact CA-O 3.31Å; H33-V390 PolarHBondContact CD2-O 3.43Å; V34-V390 PolarHBondContact N-O 3.09Å; P162-V390 HydrophobicContact CB-CG1 4.43Å; I167-V390 HydrophobicContact CD1-CG2 3.97Å; A365-V390 HydrophobicContact CB-CG2 4.33Å; W369-V390 HydrophobicContact CZ2-CG1 4.15Å; L378-V390 HydrophobicContact CD1-CG2 4.41Å; V388-V390 HydrophobicContact CG1-CG2 4.25Å
391P90.8Very high82.3Confident0 Ų012.5 Ų12.50%08%0.077CC..EExtended strand (participates in β ladder)trans-77154.9173.931.1-35.1000111.8V34 P37 L364 A365 K366 S398 I402 L411V34-P391 CarbonylContact O-C 3.44Å; V34-P391 WeakPolarHBondContact O-CA 3.29Å; P37-P391 HydrophobicContact CB-CB 4.3Å; P37-P391 HydrophobicContact CG-CB 4.09Å; L364-P391 HydrophobicContact CD1-CG 4Å; A365-P391 WeakPolarHBondContact O-CD 3.48Å; K366-P391 HydrophobicContact CB-CG 3.95Å; P391-S398 WeakPolarHBondContact O-CA 3.46Å; P391-S398 WeakPolarHBondContact O-CB 3.34Å; P391-S398 PolarHBondContact O-OG 3.37Å; P391-I402 HydrophobicContact CG-CG2 4.49Å; P391-L411 HydrophobicContact CB-CD1 4.13Å
392G82.8Confident81.2Confident0 Ų012.4 Ų12.40%08%0.076CC..  trans95.5165.7175.200000114.1H33 V34 P35 C396H33-G392 PolarHBondContact CD2-O 3.26Å; H33-G392 PolarHBondContact NE2-O 2.76Å; V34-G392 PolarHBondContact O-N 3.15Å; P35-G392 WeakPolarHBondContact CA-O 3.34Å; P35-G392 CarbonylContact O-C 3.5Å; P35-G392 VanDerWaalsContact O-C 3.22Å; G392-C396 CarbonylContact C-O 3.52Å; G392-C396 WeakPolarHBondContact CA-O 3.34Å
393G81.6Confident79.9Confident2 Ų213.8 Ų13.82%0.0219%0.085CC..  trans-173.1-161.6-173.300000112.2P35 A395 C396P35-G393 PolarHBondContact O-N 3.08Å; G393-A395 PolarHBondContact O-N 3.34Å; G393-C396 PolarHBondContact N-O 3.33Å; G393-C396 PolarHBondContact O-N 3.48Å
394S76.8Confident78.9Confident32 Ų3213.8 Ų13.822%0.2249%0.085CC..SBendtrans-60.5-13-177.9-54.50000114.8R185 D209R185-S394 PolarHBondContact NH1-O 3.3Å; D209-S394 WeakPolarHBondContact OD2-CB 3.35Å; D209-S394 PolarHBondContact OD2-OG 2.96Å
395A67.6Low78.5Confident45 Ų4513 Ų1337%0.3728%0.078SC..SBendtrans-110.6-26.2175.500000113.6R185 G393R185-A395 VanDerWaalsContact NH2-C 3.31Å; R185-A395 PolarHBondContact NH2-O 2.89Å; G393-A395 PolarHBondContact O-N 3.34Å
396C69.1Low78.1Confident11 Ų1115.5 Ų15.57%0.0749%0.089CC..SBendtrans-134.6121.1-170-168.40000111.9G392 G393 S401G392-C396 CarbonylContact C-O 3.52Å; G392-C396 WeakPolarHBondContact CA-O 3.34Å; G393-C396 PolarHBondContact N-O 3.33Å; G393-C396 PolarHBondContact O-N 3.48Å; C396-S401 PolarHBondContact SG-OG 3.06Å
397P71.1Confident77.7Confident14 Ų1416 Ų169%0.0919%0.091CC..  trans-66.6147.6173.1-17.331.1000112.6N186 E399 K400 S401N186-P397 VanDerWaalsContact ND2-CB 3.33Å; N186-P397 WeakPolarHBondContact ND2-CB 3.16Å; N186-P397 WeakPolarHBondContact ND2-CG 3.33Å; P397-E399 VanDerWaalsContact C-N 3.34Å; P397-E399 WeakPolarHBondContact CB-OE1 3.44Å; P397-E399 PolarHBondContact O-N 2.92Å; P397-K400 HydrophobicContact CB-CB 4.37Å; P397-K400 PolarHBondContact O-N 3.35Å; P397-S401 PolarHBondContact O-N 3.41Å; P397-S401 PolarHBondContact O-OG 2.87Å
398S74.8Confident77.4Confident0 Ų015.6 Ų15.60%09%0.088CC..Hα-helixtrans-58.7-44-177.8-57.30000112.7P162 K366 P391 K400 S401P162-S398 WeakPolarHBondContact CB-OG 3.3Å; P162-S398 WeakPolarHBondContact CG-OG 3.44Å; K366-S398 CarbonylContact O-C 3.2Å; K366-S398 VanDerWaalsContact O-C 3.29Å; K366-S398 WeakPolarHBondContact O-CB 3.46Å; P391-S398 WeakPolarHBondContact O-CA 3.46Å; P391-S398 WeakPolarHBondContact O-CB 3.34Å; P391-S398 PolarHBondContact O-OG 3.37Å; S398-K400 PolarHBondContact O-N 2.98Å; S398-S401 VanDerWaalsContact O-CB 3.23Å; S398-S401 WeakPolarHBondContact O-CB 3.42Å; S398-S401 PolarHBondContact O-N 2.91Å; S398-S401 PolarHBondContact O-OG 2.84Å
399E66.2Low77.1Confident48 Ų4815.6 Ų15.622%0.2249%0.088CC..Hα-helixtrans-71-30.9-175.467.6-75.9177.900112.9N186 K366 A368 P397 S401 I402 T403N186-E399 PolarHBondContact ND2-OE1 3.17Å; N186-E399 VanDerWaalsContact ND2-OE1 3.16Å; K366-E399 WeakPolarHBondContact O-CA 3.47Å; K366-E399 PolarHBondContact O-N 3.41Å; K366-E399 VanDerWaalsContact O-N 3.15Å; A368-E399 HydrophobicContact CB-CB 4.46Å; A368-E399 HydrophobicContact CB-CG 4.12Å; P397-E399 VanDerWaalsContact C-N 3.34Å; P397-E399 WeakPolarHBondContact CB-OE1 3.44Å; P397-E399 PolarHBondContact O-N 2.92Å; E399-S401 VanDerWaalsContact C-N 3.26Å; E399-S401 PolarHBondContact O-N 3.28Å; E399-I402 WeakPolarHBondContact O-CG1 3.41Å; E399-T403 PolarHBondContact O-N 3.02Å; E399-T403 PolarHBondContact O-OG1 3.27Å
400K64.6Low76.7Confident65 Ų6516.5 Ų16.528%0.2839%0.093SC..Hα-helixtrans-68.1-31.8176.2-164174.8-166.3176.20111.7P397 S398 I402 T403 D912P397-K400 HydrophobicContact CB-CB 4.37Å; P397-K400 PolarHBondContact O-N 3.35Å; S398-K400 PolarHBondContact O-N 2.98Å; K400-I402 VanDerWaalsContact C-N 3.32Å; K400-I402 PolarHBondContact O-N 3.46Å; K400-T403 VanDerWaalsContact CA-OG1 3.28Å; K400-T403 WeakPolarHBondContact CA-OG1 3.17Å; K400-T403 PolarHBondContact O-N 3.28Å; K400-T403 PolarHBondContact O-OG1 3.49Å; K400-T403 VanDerWaalsContact O-OG1 3.08Å; K400-D912 WeakPolarHBondContact CE-OD1 3.49Å; K400-D912 IonicContact NZ-OD1 3.58Å; K400-D912 PolarHBondContact NZ-OD1 2.89Å
401S65.4Low76.5Confident0 Ų016.5 Ų16.50%09%0.093CC..Hα-helixtrans-65.4-38.6-177.7-51.20000111.8P37 C396 P397 S398 E399 Q407P37-S401 WeakPolarHBondContact CG-OG 3.16Å; C396-S401 PolarHBondContact SG-OG 3.06Å; P397-S401 PolarHBondContact O-N 3.41Å; P397-S401 PolarHBondContact O-OG 2.87Å; S398-S401 VanDerWaalsContact O-CB 3.23Å; S398-S401 WeakPolarHBondContact O-CB 3.42Å; S398-S401 PolarHBondContact O-N 2.91Å; S398-S401 PolarHBondContact O-OG 2.84Å; E399-S401 VanDerWaalsContact C-N 3.26Å; E399-S401 PolarHBondContact O-N 3.28Å; S401-Q407 VanDerWaalsContact CA-OE1 3.3Å; S401-Q407 WeakPolarHBondContact O-CB 3.44Å; S401-Q407 VanDerWaalsContact O-CD 3.25Å; S401-Q407 PolarHBondContact O-OE1 3.25Å; S401-Q407 VanDerWaalsContact O-OE1 3.09Å
402I68.5Low76.6Confident2 Ų216.5 Ų16.51%0.019%0.093CC..Hα-helixtrans-95.4-4.2-175.757.888.7000113.4L364 K366 P391 E399 K400 L408 Q426 W430L364-I402 HydrophobicContact CD2-CG2 4.28Å; K366-I402 HydrophobicContact CB-CG1 3.93Å; K366-I402 HydrophobicContact CB-CG2 4.02Å; K366-I402 HydrophobicContact CD-CB 4.12Å; K366-I402 HydrophobicContact CD-CD1 3.71Å; K366-I402 HydrophobicContact CD-CG1 3.59Å; K366-I402 HydrophobicContact CD-CG2 4.12Å; K366-I402 HydrophobicContact CG-CD1 4.06Å; K366-I402 HydrophobicContact CG-CG1 3.72Å; K366-I402 HydrophobicContact CG-CG2 4.45Å; P391-I402 HydrophobicContact CG-CG2 4.49Å; E399-I402 WeakPolarHBondContact O-CG1 3.41Å; K400-I402 VanDerWaalsContact C-N 3.32Å; K400-I402 PolarHBondContact O-N 3.46Å; I402-L408 HydrophobicContact CG2-CD1 4.4Å; I402-Q426 HydrophobicContact CD1-CG 4.47Å; I402-W430 HydrophobicContact CD1-CZ2 4.1Å; I402-W430 PolarHBondContact O-NE1 3.5Å
403T65.6Low77.1Confident30 Ų3018.6 Ų18.618%0.18410%0.103CC..Hα-helixtrans-68.8-29.3167.2-11.90000111E399 K400 L429 Q433 V896E399-T403 PolarHBondContact O-N 3.02Å; E399-T403 PolarHBondContact O-OG1 3.27Å; K400-T403 VanDerWaalsContact CA-OG1 3.28Å; K400-T403 WeakPolarHBondContact CA-OG1 3.17Å; K400-T403 PolarHBondContact O-N 3.28Å; K400-T403 PolarHBondContact O-OG1 3.49Å; K400-T403 VanDerWaalsContact O-OG1 3.08Å; T403-L429 HydrophobicContact CG2-CD2 3.99Å; T403-Q433 PolarHBondContact O-OE1 3.35Å; T403-V896 HydrophobicContact CG2-CG2 3.81Å; T403-V896 VanDerWaalsContact O-CG1 3.3Å; T403-V896 WeakPolarHBondContact O-CG1 3.46Å
404D69.3Low77.5Confident6 Ų623.1 Ų23.13%0.03212%0.123CC..SBendtrans-84.7108.5168.8-169.5-20.3000110.5Q406 Q407 L408 R903 L911D404-Q406 PolarHBondContact O-N 3.35Å; D404-Q406 VanDerWaalsContact O-N 3.11Å; D404-Q406 WeakPolarHBondContact OD1-CB 3.2Å; D404-Q406 PolarHBondContact OD1-N 2.98Å; D404-Q407 HydrophobicContact CB-CG 4.22Å; D404-Q407 PolarHBondContact O-N 3.04Å; D404-Q407 VanDerWaalsContact O-N 3.1Å; D404-L408 PolarHBondContact O-N 3.48Å; D404-R903 IonicContact OD1-NH1 3.85Å; D404-R903 PolarHBondContact OD1-NH1 3.14Å; D404-R903 IonicContact OD2-CZ 3.14Å; D404-R903 VanDerWaalsContact OD2-CZ 3.25Å; D404-R903 IonicContact OD2-NH1 3.82Å; D404-R903 PolarHBondContact OD2-NH1 2.91Å; D404-R903 IonicContact OD2-NH2 3.49Å; D404-R903 PolarHBondContact OD2-NH2 2.76Å; D404-L911 HydrophobicContact CB-CD1 4.09Å
405V80Confident78.2Confident0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-61.3-23.8-178.485.70000113.3Q407 L408 I409 Q433 L434V405-Q407 VanDerWaalsContact C-N 3.34Å; V405-L408 HydrophobicContact CG2-CD2 4.48Å; V405-L408 PolarHBondContact O-N 3.01Å; V405-I409 HydrophobicContact CG1-CD1 4.49Å; V405-I409 WeakPolarHBondContact O-CB 3.36Å; V405-I409 VanDerWaalsContact O-CG1 3.27Å; V405-I409 WeakPolarHBondContact O-CG1 3.39Å; V405-I409 PolarHBondContact O-N 3.31Å; V405-Q433 HydrophobicContact CB-CB 4Å; V405-Q433 HydrophobicContact CG1-CB 3.5Å; V405-Q433 VanDerWaalsContact CG1-CB 3.5Å; V405-Q433 HydrophobicContact CG1-CG 4.4Å; V405-L434 HydrophobicContact CG2-CD1 4.41Å; V405-L434 HydrophobicContact CG2-CD2 3.51Å; V405-L434 HydrophobicContact CG2-CG 3.72Å
406Q79.6Confident79.4Confident56 Ų5625.3 Ų25.326%0.26212%0.12SC..Hα-helixtrans-66.8-39.3178-171.96057.200111.1D404 I409 N410 K437D404-Q406 PolarHBondContact O-N 3.35Å; D404-Q406 VanDerWaalsContact O-N 3.11Å; D404-Q406 WeakPolarHBondContact OD1-CB 3.2Å; D404-Q406 PolarHBondContact OD1-N 2.98Å; Q406-I409 PolarHBondContact O-N 3.5Å; Q406-N410 PolarHBondContact NE2-OD1 2.95Å; Q406-N410 PolarHBondContact O-N 2.85Å; Q406-N410 PolarHBondContact O-OD1 3.4Å; Q406-K437 VanDerWaalsContact OE1-CE 3.25Å
407Q80.7Confident80.5Confident10 Ų1024.8 Ų24.85%0.04712%0.116CC..Hα-helixtrans-67.4-40.5174.5-67.5-17946.900110.8P37 S401 D404 V405 I409 N410 L411P37-Q407 VanDerWaalsContact C-OE1 3.24Å; P37-Q407 PolarHBondContact O-OE1 3.48Å; S401-Q407 VanDerWaalsContact CA-OE1 3.3Å; S401-Q407 WeakPolarHBondContact O-CB 3.44Å; S401-Q407 VanDerWaalsContact O-CD 3.25Å; S401-Q407 PolarHBondContact O-OE1 3.25Å; S401-Q407 VanDerWaalsContact O-OE1 3.09Å; D404-Q407 HydrophobicContact CB-CG 4.22Å; D404-Q407 PolarHBondContact O-N 3.04Å; D404-Q407 VanDerWaalsContact O-N 3.1Å; V405-Q407 VanDerWaalsContact C-N 3.34Å; Q407-I409 VanDerWaalsContact C-N 3.32Å; Q407-I409 PolarHBondContact O-N 2.83Å; Q407-N410 PolarHBondContact O-N 3.5Å; Q407-L411 WeakPolarHBondContact O-CB 3.27Å; Q407-L411 VanDerWaalsContact O-CG 3.29Å; Q407-L411 WeakPolarHBondContact O-CG 3.09Å; Q407-L411 PolarHBondContact O-N 2.83Å
408L85.1Confident81.5Confident6 Ų624.2 Ų24.23%0.03111%0.113CC..Hα-helixtrans-58.6-44.4174.7-17762.5000111.8L364 I402 D404 V405 T412 I420 W430L364-L408 HydrophobicContact CD2-CD1 3.81Å; I402-L408 HydrophobicContact CG2-CD1 4.4Å; D404-L408 PolarHBondContact O-N 3.48Å; V405-L408 HydrophobicContact CG2-CD2 4.48Å; V405-L408 PolarHBondContact O-N 3.01Å; L408-T412 VanDerWaalsContact O-CB 3.26Å; L408-T412 WeakPolarHBondContact O-CB 3.33Å; L408-T412 PolarHBondContact O-N 3.48Å; L408-T412 PolarHBondContact O-OG1 2.65Å; L408-I420 HydrophobicContact CD1-CD1 3.96Å; L408-W430 HydrophobicContact CD2-CD2 3.94Å; L408-W430 HydrophobicContact CD2-CE3 4.27Å; L408-W430 HydrophobicContact CD2-CG 4.4Å; L408-W430 HydrophobicContact CD2-CH2 4.26Å; L408-W430 HydrophobicContact CD2-CZ2 3.91Å; L408-W430 HydrophobicContact CD2-CZ3 4.42Å
409I89.2Confident82.3Confident0 Ų024.8 Ų24.80%012%0.116CC..Hα-helixtrans-59.4-47.8174.8-74.3168.8000110.6V405 Q406 Q407 T412 K413 L434 K437 I441 H445 L446V405-I409 HydrophobicContact CG1-CD1 4.49Å; V405-I409 WeakPolarHBondContact O-CB 3.36Å; V405-I409 VanDerWaalsContact O-CG1 3.27Å; V405-I409 WeakPolarHBondContact O-CG1 3.39Å; V405-I409 PolarHBondContact O-N 3.31Å; Q406-I409 PolarHBondContact O-N 3.5Å; Q407-I409 VanDerWaalsContact C-N 3.32Å; Q407-I409 PolarHBondContact O-N 2.83Å; I409-T412 PolarHBondContact O-N 3.03Å; I409-K413 VanDerWaalsContact O-CB 3.25Å; I409-K413 WeakPolarHBondContact O-CB 3.45Å; I409-K413 PolarHBondContact O-N 3.13Å; I409-L434 HydrophobicContact CD1-CD2 3.83Å; I409-L434 HydrophobicContact CG1-CD2 4.17Å; I409-K437 HydrophobicContact CD1-CG 4.22Å; I409-I441 HydrophobicContact CG2-CG2 4.49Å; I409-H445 HydrophobicContact CG2-CB 3.61Å; I409-H445 VanDerWaalsContact CG2-ND1 3.31Å; I409-H445 WeakPolarHBondContact CG2-ND1 3.41Å; I409-L446 HydrophobicContact CG1-CD1 4.48Å; I409-L446 HydrophobicContact CG1-CD2 4.13Å; I409-L446 HydrophobicContact CG1-CG 4.41Å
410N88.2Confident83.6Confident19 Ų1922.7 Ų22.710%0.10211%0.106CC..Hα-helixtrans-64.3-46.7-177.8-65.5-6.2000111.3F40 Q406 Q407 K413 H414F40-N410 HydrophobicContact CD1-CB 3.79Å; F40-N410 HydrophobicContact CE1-CB 4.2Å; F40-N410 PolarHBondContact O-ND2 2.63Å; Q406-N410 PolarHBondContact NE2-OD1 2.95Å; Q406-N410 PolarHBondContact O-N 2.85Å; Q406-N410 PolarHBondContact O-OD1 3.4Å; Q407-N410 PolarHBondContact O-N 3.5Å; N410-K413 PolarHBondContact O-N 3.49Å; N410-H414 WeakPolarHBondContact O-CB 3.37Å; N410-H414 PolarHBondContact O-N 3.01Å
411L90.5Very high84.8Confident1 Ų120.3 Ų20.31%0.00510%0.097CC..Hα-helixtrans-61.5-46.7176.5-69.3173.7000111.5V34 P37 F40 P391 Q407 K413 H414 F415 I417V34-L411 HydrophobicContact CB-CD2 4.45Å; V34-L411 HydrophobicContact CG1-CD2 4.23Å; V34-L411 HydrophobicContact CG2-CD2 4.15Å; P37-L411 HydrophobicContact CB-CD1 4.42Å; F40-L411 HydrophobicContact CD1-CD2 4.17Å; F40-L411 HydrophobicContact CE1-CD2 4.39Å; P391-L411 HydrophobicContact CB-CD1 4.13Å; Q407-L411 WeakPolarHBondContact O-CB 3.27Å; Q407-L411 VanDerWaalsContact O-CG 3.29Å; Q407-L411 WeakPolarHBondContact O-CG 3.09Å; Q407-L411 PolarHBondContact O-N 2.83Å; L411-K413 PolarHBondContact O-N 3.11Å; L411-H414 PolarHBondContact O-N 3.36Å; L411-F415 HydrophobicContact CD2-CD2 4.17Å; L411-F415 HydrophobicContact CD2-CE2 3.83Å; L411-F415 WeakPolarHBondContact O-CD2 3.4Å; L411-F415 PolarHBondContact O-N 3.43Å; L411-I417 HydrophobicContact CB-CD1 3.9Å
412T92.2Very high85.9Confident0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-63-44.3-179.5-56.30000111.1L408 I409 K416 I417 L446 S448L408-T412 VanDerWaalsContact O-CB 3.26Å; L408-T412 WeakPolarHBondContact O-CB 3.33Å; L408-T412 PolarHBondContact O-N 3.48Å; L408-T412 PolarHBondContact O-OG1 2.65Å; I409-T412 PolarHBondContact O-N 3.03Å; T412-K416 WeakPolarHBondContact O-CA 3.5Å; T412-K416 PolarHBondContact O-N 3.06Å; T412-I417 HydrophobicContact CG2-CB 4.18Å; T412-I417 PolarHBondContact O-N 2.89Å; T412-L446 HydrophobicContact CG2-CD2 3.66Å; T412-S448 WeakPolarHBondContact CG2-OG 3.33Å
413K92.3Very high86.5Confident44 Ų4422 Ų2219%0.19111%0.107CC..Hα-helixtrans-60.6-48.3177.8-179.3-179.4-176.7161.40112.1C42 H44 I409 N410 L411 H445C42-K413 HydrophobicContact CB-CD 4.48Å; H44-K413 PolarHBondContact CE1-NZ 3.19Å; H44-K413 PolarHBondContact NE2-NZ 2.75Å; I409-K413 VanDerWaalsContact O-CB 3.25Å; I409-K413 WeakPolarHBondContact O-CB 3.45Å; I409-K413 PolarHBondContact O-N 3.13Å; N410-K413 PolarHBondContact O-N 3.49Å; L411-K413 PolarHBondContact O-N 3.11Å; K413-H445 HydrophobicContact CB-CB 4.14Å; K413-H445 HydrophobicContact CD-CB 4.41Å; K413-H445 PolarHBondContact N-O 3.48Å; K413-H445 PolarHBondContact NZ-CE1 3.08Å; K413-H445 PolarHBondContact NZ-NE2 3.48Å
414H90.6Very high87.1Confident96 Ų9620.8 Ų20.844%0.44410%0.1SC..Hα-helixtrans-71.3-51.1-173.5-173.494000111.9F40 N410 L411F40-H414 HydrophobicContact CE1-CB 3.76Å; F40-H414 HydrophobicContact CZ-CB 3.7Å; F40-H414 AromaticContact CZ-CD2 3.82Å; F40-H414 AromaticContact CZ-CG 3.47Å; F40-H414 VanDerWaalsContact CZ-CG 3.47Å; F40-H414 AromaticContact CZ-ND1 3.65Å; N410-H414 WeakPolarHBondContact O-CB 3.37Å; N410-H414 PolarHBondContact O-N 3.01Å; L411-H414 PolarHBondContact O-N 3.36Å
415F91.8Very high87Confident12 Ų1221.7 Ų21.75%0.05311%0.105CC..Hα-helixtrans-89.6-3.7-175.2-64.4-75.2000113.6W32 V34 F40 I96 I362 V389 L411 I417W32-F415 HydrophobicContact CB-CD1 4.06Å; W32-F415 HydrophobicContact CB-CE1 3.56Å; W32-F415 HydrophobicContact CB-CZ 4.15Å; W32-F415 AromaticContact CD1-CE1 3.6Å; W32-F415 AromaticContact CD2-CD1 3.89Å; W32-F415 HydrophobicContact CD2-CD1 3.89Å; W32-F415 HydrophobicContact CD2-CE1 4.09Å; W32-F415 HydrophobicContact CE3-CD1 4.22Å; W32-F415 AromaticContact CG-CD1 3.8Å; W32-F415 HydrophobicContact CG-CD1 3.8Å; W32-F415 AromaticContact CG-CE1 3.49Å; W32-F415 HydrophobicContact CG-CE1 3.49Å; W32-F415 VanDerWaalsContact CG-CE1 3.49Å; W32-F415 HydrophobicContact CG-CZ 4.5Å; V34-F415 HydrophobicContact CG2-CE2 3.68Å; V34-F415 HydrophobicContact CG2-CZ 3.64Å; F40-F415 HydrophobicContact CZ-CE2 4.29Å; I96-F415 HydrophobicContact CD1-CE1 4.07Å; I96-F415 HydrophobicContact CD1-CE2 4.44Å; I96-F415 HydrophobicContact CD1-CZ 3.51Å; I96-F415 HydrophobicContact CG1-CZ 3.98Å; I96-F415 HydrophobicContact CG2-CE1 4.02Å; I96-F415 HydrophobicContact CG2-CZ 3.87Å; I362-F415 WeakPolarHBondContact CD1-O 3.34Å; V389-F415 HydrophobicContact CG1-CD2 3.96Å; V389-F415 HydrophobicContact CG1-CE2 4.1Å; V389-F415 HydrophobicContact CG1-CG 4.37Å; V389-F415 HydrophobicContact CG2-CB 3.58Å; V389-F415 HydrophobicContact CG2-CD1 3.95Å; V389-F415 HydrophobicContact CG2-CD2 3.96Å; V389-F415 HydrophobicContact CG2-CG 3.55Å; L411-F415 HydrophobicContact CD2-CD2 4.17Å; L411-F415 HydrophobicContact CD2-CE2 3.83Å; L411-F415 WeakPolarHBondContact O-CD2 3.4Å; L411-F415 PolarHBondContact O-N 3.43Å; F415-I417 VanDerWaalsContact C-N 3.29Å; F415-I417 HydrophobicContact CB-CG1 4.03Å; F415-I417 PolarHBondContact O-N 2.96Å
416K92.8Very high86.7Confident111 Ų11123.3 Ų23.348%0.48311%0.113SC..THydrogen-bonded Turntrans55.344.5-173.7-54.2-59.7-175.4-174.50112.2T412 S418 S448T412-K416 WeakPolarHBondContact O-CA 3.5Å; T412-K416 PolarHBondContact O-N 3.06Å; K416-S418 PolarHBondContact O-N 3.35Å; K416-S448 VanDerWaalsContact C-OG 3.25Å; K416-S448 WeakPolarHBondContact CA-OG 3.09Å
417I93.1Very high86.9Confident0 Ų020.8 Ų20.80%010%0.101CC..  trans-55.4132178.7-60.1173.1000109.1I362 L364 V389 L411 T412 F415 I420 S448 L449I362-I417 HydrophobicContact CG2-CG1 4.5Å; L364-I417 HydrophobicContact CB-CD1 4.23Å; L364-I417 HydrophobicContact CB-CG2 3.9Å; L364-I417 HydrophobicContact CD1-CD1 3.97Å; L364-I417 HydrophobicContact CD2-CD1 4.13Å; L364-I417 HydrophobicContact CG-CD1 4.33Å; V389-I417 HydrophobicContact CG2-CD1 4.43Å; V389-I417 HydrophobicContact CG2-CG1 4.23Å; L411-I417 HydrophobicContact CB-CD1 3.9Å; T412-I417 HydrophobicContact CG2-CB 4.18Å; T412-I417 PolarHBondContact O-N 2.89Å; F415-I417 VanDerWaalsContact C-N 3.29Å; F415-I417 HydrophobicContact CB-CG1 4.03Å; F415-I417 PolarHBondContact O-N 2.96Å; I417-I420 HydrophobicContact CG2-CD1 4.11Å; I417-I420 HydrophobicContact CG2-CG1 3.7Å; I417-S448 PolarHBondContact N-OG 2.98Å; I417-S448 CarbonylContact O-C 3.55Å; I417-S448 WeakPolarHBondContact O-CB 3.46Å; I417-S448 PolarHBondContact O-OG 3.16Å; I417-L449 PolarHBondContact O-N 2.78Å
418S91.3Very high86.5Confident3 Ų321.6 Ų21.62%0.02111%0.106CC..  trans-116.6-23.7-178.464.10000114.2R361 I362 K416 S448 R450 T451R361-S418 WeakPolarHBondContact CA-OG 3.31Å; I362-S418 PolarHBondContact N-OG 3.02Å; I362-S418 PolarHBondContact O-N 2.68Å; I362-S418 PolarHBondContact O-OG 3.45Å; K416-S418 PolarHBondContact O-N 3.35Å; S418-S448 WeakPolarHBondContact CA-O 3.48Å; S418-S448 WeakPolarHBondContact CB-O 3.31Å; S418-R450 PolarHBondContact O-N 2.79Å; S418-T451 PolarHBondContact O-N 3.09Å
419H91.6Very high85.7Confident12 Ų1221.5 Ų21.56%0.05611%0.105CC..EExtended strand (participates in β ladder)trans-127.2127-178.4-63.567.7000111.1I362 L364 T451I362-H419 PolarHBondContact O-N 3.41Å; L364-H419 PolarHBondContact N-O 2.79Å; H419-T451 WeakPolarHBondContact CA-O 3.36Å
420I92.4Very high85.2Confident4 Ų422.1 Ų22.12%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-136.3129.8178.5-58.5171.5000109.3L364 K366 L408 I417 W430 L449 T451 V452 I453L364-I420 HydrophobicContact CB-CG1 4.34Å; L364-I420 HydrophobicContact CD2-CD1 4.4Å; L364-I420 HydrophobicContact CD2-CG1 4.15Å; L364-I420 HydrophobicContact CD2-CG2 4.43Å; K366-I420 HydrophobicContact CD-CG2 4.35Å; L408-I420 HydrophobicContact CD1-CD1 3.96Å; I417-I420 HydrophobicContact CG2-CD1 4.11Å; I417-I420 HydrophobicContact CG2-CG1 3.7Å; I420-W430 HydrophobicContact CG2-CH2 3.59Å; I420-W430 HydrophobicContact CG2-CZ3 3.98Å; I420-L449 HydrophobicContact CB-CD1 4.41Å; I420-L449 HydrophobicContact CD1-CD1 3.47Å; I420-L449 VanDerWaalsContact CD1-CD1 3.47Å; I420-L449 HydrophobicContact CD1-CD2 4.31Å; I420-L449 HydrophobicContact CG1-CD1 3.75Å; I420-T451 PolarHBondContact N-O 2.72Å; I420-V452 CarbonylContact O-C 3.53Å; I420-V452 WeakPolarHBondContact O-CA 3.4Å; I420-I453 PolarHBondContact O-N 3.02Å
421T91Very high84.8Confident14 Ų1421.3 Ų21.39%0.08610%0.103CC..EExtended strand (participates in β ladder)trans-93.3147167.5-55.80000110.1K366 E377 I453K366-T421 WeakPolarHBondContact CE-O 3.43Å; K366-T421 PolarHBondContact NZ-O 2.77Å; E377-T421 WeakPolarHBondContact OE1-CB 3.36Å; T421-I453 CarbonylContact C-O 3.57Å; T421-I453 WeakPolarHBondContact CA-O 3.19Å; T421-I453 HydrophobicContact CG2-CB 4.19Å; T421-I453 HydrophobicContact CG2-CG2 4.16Å
422T88.6Confident83.9Confident4 Ų422.8 Ų22.83%0.02511%0.11CC..EExtended strand (participates in β ladder)trans-155.2171.5179-161.90000111Q426 M427 W430 V452 I453 V454 S455T422-Q426 WeakPolarHBondContact OG1-CB 3.37Å; T422-Q426 VanDerWaalsContact OG1-CG 3.3Å; T422-Q426 WeakPolarHBondContact OG1-CG 3.37Å; T422-M427 HydrophobicContact CG2-CB 3.84Å; T422-M427 HydrophobicContact CG2-CG 4.48Å; T422-W430 HydrophobicContact CG2-CE3 4.41Å; T422-W430 HydrophobicContact CG2-CH2 4.29Å; T422-W430 HydrophobicContact CG2-CZ3 3.76Å; T422-W430 VanDerWaalsContact OG1-CH2 3.29Å; T422-W430 WeakPolarHBondContact OG1-CH2 3.16Å; T422-W430 WeakPolarHBondContact OG1-CZ3 3.05Å; T422-V452 HydrophobicContact CG2-CG1 3.91Å; T422-I453 PolarHBondContact N-O 3.34Å; T422-V454 HydrophobicContact CG2-CG1 3.68Å; T422-V454 WeakPolarHBondContact O-CA 3.25Å; T422-S455 PolarHBondContact O-N 3.5Å
423V81.3Confident83.1Confident33 Ų3322.9 Ų22.920%0.211%0.11CC..  trans-106.1154.4171.6-600000109.6T425 Q426 M427 S455V423-T425 VanDerWaalsContact C-N 3.26Å; V423-T425 WeakPolarHBondContact CG2-OG1 3.25Å; V423-T425 PolarHBondContact O-N 2.81Å; V423-T425 VanDerWaalsContact O-N 3.16Å; V423-Q426 HydrophobicContact CG2-CB 3.66Å; V423-Q426 PolarHBondContact O-N 3.34Å; V423-Q426 VanDerWaalsContact O-N 3.08Å; V423-M427 PolarHBondContact O-N 3.48Å; V423-S455 WeakPolarHBondContact CA-O 3.5Å; V423-S455 WeakPolarHBondContact CG1-O 3.18Å
424P78.1Confident82.8Confident5 Ų521 Ų213%0.03210%0.102CC..Hα-helixtrans-53.7-38.4-177-29.936.6000114.4M427 N428 S455 D457 V459 M463P424-M427 PolarHBondContact O-N 2.81Å; P424-N428 WeakPolarHBondContact O-CB 2.95Å; P424-N428 PolarHBondContact O-N 3.32Å; P424-S455 WeakPolarHBondContact CD-O 3.09Å; P424-D457 HydrophobicContact CG-CB 3.85Å; P424-D457 WeakPolarHBondContact CG-O 3.44Å; P424-V459 HydrophobicContact CB-CG2 4.47Å; P424-V459 HydrophobicContact CG-CG2 3.72Å; P424-M463 HydrophobicContact CB-CE 4.39Å; P424-M463 HydrophobicContact CB-SD 4.29Å
425T67.5Low82.4Confident25 Ų2521.1 Ų21.115%0.15310%0.098CC..Hα-helixtrans-64.3-45.1177.752.10000112.2V423 N428 L429 L893V423-T425 VanDerWaalsContact C-N 3.26Å; V423-T425 WeakPolarHBondContact CG2-OG1 3.25Å; V423-T425 PolarHBondContact O-N 2.81Å; V423-T425 VanDerWaalsContact O-N 3.16Å; T425-N428 WeakPolarHBondContact O-CB 3.43Å; T425-N428 PolarHBondContact O-N 2.87Å; T425-L429 PolarHBondContact O-N 2.87Å; T425-L429 VanDerWaalsContact O-N 3.09Å; T425-L893 WeakPolarHBondContact O-CD1 3.15Å
426Q73.8Confident81.7Confident35 Ų3523 Ų2316%0.16411%0.109CC..Hα-helixtrans-65.9-40.6175.5-174.784.973.100111.6I402 T422 V423 L429 W430I402-Q426 HydrophobicContact CD1-CG 4.47Å; T422-Q426 WeakPolarHBondContact OG1-CB 3.37Å; T422-Q426 VanDerWaalsContact OG1-CG 3.3Å; T422-Q426 WeakPolarHBondContact OG1-CG 3.37Å; V423-Q426 HydrophobicContact CG2-CB 3.66Å; V423-Q426 PolarHBondContact O-N 3.34Å; V423-Q426 VanDerWaalsContact O-N 3.08Å; Q426-L429 VanDerWaalsContact O-CB 3.23Å; Q426-L429 WeakPolarHBondContact O-CB 3.37Å; Q426-L429 PolarHBondContact O-N 2.59Å; Q426-W430 HydrophobicContact CG-CD2 4.41Å; Q426-W430 HydrophobicContact CG-CH2 4.45Å; Q426-W430 HydrophobicContact CG-CZ2 3.75Å; Q426-W430 PolarHBondContact O-N 2.95Å
427M82.3Confident81.1Confident2 Ų219 Ų191%0.019%0.092CC..Hα-helixtrans-61.8-45.9174.6-174.7171.269.300111.3T422 V423 P424 L429 W430 L431 V454 V459 M463 F467 L478T422-M427 HydrophobicContact CG2-CB 3.84Å; T422-M427 HydrophobicContact CG2-CG 4.48Å; V423-M427 PolarHBondContact O-N 3.48Å; P424-M427 PolarHBondContact O-N 2.81Å; M427-L429 PolarHBondContact O-N 2.81Å; M427-W430 WeakPolarHBondContact O-CB 3.4Å; M427-W430 PolarHBondContact O-N 2.8Å; M427-W430 VanDerWaalsContact O-N 3.13Å; M427-L431 HydrophobicContact CG-CD1 4.36Å; M427-L431 HydrophobicContact CG-CG 4.35Å; M427-L431 WeakPolarHBondContact O-CG 3.33Å; M427-L431 PolarHBondContact O-N 2.91Å; M427-V454 HydrophobicContact CB-CG1 4.46Å; M427-V454 HydrophobicContact CE-CG1 3.82Å; M427-V454 HydrophobicContact SD-CG1 3.57Å; M427-V454 VanDerWaalsContact SD-CG1 3.57Å; M427-V459 HydrophobicContact CE-CG1 4.41Å; M427-M463 HydrophobicContact CB-SD 4.46Å; M427-M463 HydrophobicContact CE-CG 3.79Å; M427-M463 HydrophobicContact CE-SD 3.45Å; M427-M463 WeakPolarHBondContact CE-SD 3.23Å; M427-F467 HydrophobicContact SD-CD2 3.92Å; M427-F467 HydrophobicContact SD-CG 4.41Å; M427-L478 HydrophobicContact CE-CD1 4.49Å; M427-L478 HydrophobicContact SD-CD1 3.85Å
428N72.4Confident80.7Confident28 Ų2822.2 Ų22.215%0.1511%0.112CC..Hα-helixtrans-56.5-39.2175.9-169.833.8000111.6P424 T425 L431 K432 M463P424-N428 WeakPolarHBondContact O-CB 2.95Å; P424-N428 PolarHBondContact O-N 3.32Å; T425-N428 WeakPolarHBondContact O-CB 3.43Å; T425-N428 PolarHBondContact O-N 2.87Å; N428-L431 PolarHBondContact O-N 3.19Å; N428-K432 PolarHBondContact ND2-NZ 3.34Å; N428-K432 WeakPolarHBondContact O-CG 3.41Å; N428-K432 PolarHBondContact O-N 3.2Å; N428-K432 VanDerWaalsContact O-N 3.09Å; N428-M463 HydrophobicContact CB-CE 3.67Å; N428-M463 HydrophobicContact CB-SD 3.98Å
429L68.4Low80.4Confident3 Ų330.2 Ų30.22%0.01615%0.147CC..Hα-helixtrans-60.5-51.8174.9-167.646.9000111.9T403 T425 Q426 M427 L431 K432 Q433 L893 V896T403-L429 HydrophobicContact CG2-CD2 3.99Å; T425-L429 PolarHBondContact O-N 2.87Å; T425-L429 VanDerWaalsContact O-N 3.09Å; Q426-L429 VanDerWaalsContact O-CB 3.23Å; Q426-L429 WeakPolarHBondContact O-CB 3.37Å; Q426-L429 PolarHBondContact O-N 2.59Å; M427-L429 PolarHBondContact O-N 2.81Å; L429-L431 VanDerWaalsContact C-N 3.33Å; L429-L431 PolarHBondContact O-N 3.17Å; L429-K432 PolarHBondContact O-N 3.37Å; L429-Q433 HydrophobicContact CD1-CG 4.33Å; L429-Q433 WeakPolarHBondContact O-CG 3.43Å; L429-Q433 PolarHBondContact O-N 2.84Å; L429-L893 HydrophobicContact CB-CD1 3.46Å; L429-L893 VanDerWaalsContact CB-CD1 3.46Å; L429-L893 HydrophobicContact CD1-CD1 3.72Å; L429-L893 HydrophobicContact CD1-CG 3.95Å; L429-L893 WeakPolarHBondContact CD1-O 3.39Å; L429-L893 HydrophobicContact CD2-CD1 3.85Å; L429-L893 HydrophobicContact CG-CD1 3.84Å; L429-V896 HydrophobicContact CD1-CB 3.83Å; L429-V896 HydrophobicContact CD1-CG1 3.69Å; L429-V896 HydrophobicContact CD2-CB 3.68Å; L429-V896 HydrophobicContact CD2-CG1 3.53Å; L429-V896 HydrophobicContact CD2-CG2 3.71Å; L429-V896 HydrophobicContact CG-CB 4.18Å; L429-V896 HydrophobicContact CG-CG1 3.76Å
430W78.8Confident80.1Confident14 Ų1436.4 Ų36.45%0.05318%0.176CC..Hα-helixtrans-58-46.4178.5-63.1-19.2000110.9I402 L408 I420 T422 Q426 M427 K432 Q433 L434I402-W430 HydrophobicContact CD1-CZ2 4.1Å; I402-W430 PolarHBondContact O-NE1 3.5Å; L408-W430 HydrophobicContact CD2-CD2 3.94Å; L408-W430 HydrophobicContact CD2-CE3 4.27Å; L408-W430 HydrophobicContact CD2-CG 4.4Å; L408-W430 HydrophobicContact CD2-CH2 4.26Å; L408-W430 HydrophobicContact CD2-CZ2 3.91Å; L408-W430 HydrophobicContact CD2-CZ3 4.42Å; I420-W430 HydrophobicContact CG2-CH2 3.59Å; I420-W430 HydrophobicContact CG2-CZ3 3.98Å; T422-W430 HydrophobicContact CG2-CE3 4.41Å; T422-W430 HydrophobicContact CG2-CH2 4.29Å; T422-W430 HydrophobicContact CG2-CZ3 3.76Å; T422-W430 VanDerWaalsContact OG1-CH2 3.29Å; T422-W430 WeakPolarHBondContact OG1-CH2 3.16Å; T422-W430 WeakPolarHBondContact OG1-CZ3 3.05Å; Q426-W430 HydrophobicContact CG-CD2 4.41Å; Q426-W430 HydrophobicContact CG-CH2 4.45Å; Q426-W430 HydrophobicContact CG-CZ2 3.75Å; Q426-W430 PolarHBondContact O-N 2.95Å; M427-W430 WeakPolarHBondContact O-CB 3.4Å; M427-W430 PolarHBondContact O-N 2.8Å; M427-W430 VanDerWaalsContact O-N 3.13Å; W430-K432 VanDerWaalsContact C-N 3.29Å; W430-K432 PolarHBondContact O-N 3.5Å; W430-Q433 PolarHBondContact O-N 2.91Å; W430-L434 HydrophobicContact CB-CD1 4.43Å; W430-L434 VanDerWaalsContact O-CB 3.25Å; W430-L434 WeakPolarHBondContact O-CB 3.25Å; W430-L434 WeakPolarHBondContact O-CG 3.47Å; W430-L434 PolarHBondContact O-N 3.5Å
431L79.3Confident79.7Confident1 Ų139 Ų391%0.00519%0.189CC..Hα-helixtrans-57.8-41.7178.3-66.1179000111.9M427 N428 L429 R435 M463 E466 F467 L470 F471M427-L431 HydrophobicContact CG-CD1 4.36Å; M427-L431 HydrophobicContact CG-CG 4.35Å; M427-L431 WeakPolarHBondContact O-CG 3.33Å; M427-L431 PolarHBondContact O-N 2.91Å; N428-L431 PolarHBondContact O-N 3.19Å; L429-L431 VanDerWaalsContact C-N 3.33Å; L429-L431 PolarHBondContact O-N 3.17Å; L431-R435 WeakPolarHBondContact O-CB 3.33Å; L431-R435 VanDerWaalsContact O-CG 3.23Å; L431-R435 WeakPolarHBondContact O-CG 3.45Å; L431-R435 PolarHBondContact O-N 3.38Å; L431-M463 HydrophobicContact CD1-CG 3.89Å; L431-E466 HydrophobicContact CD1-CB 4.21Å; L431-F467 HydrophobicContact CD1-CB 4.31Å; L431-F467 HydrophobicContact CD2-CB 4.21Å; L431-F467 HydrophobicContact CD2-CD2 4.26Å; L431-L470 HydrophobicContact CD2-CB 4.36Å; L431-L470 HydrophobicContact CD2-CD2 3.61Å; L431-F471 HydrophobicContact CD2-CE2 4.34Å
432K72.6Confident79.4Confident33 Ų3338.6 Ų38.614%0.14319%0.186CC..Hα-helixtrans-65.5-48.6176.4-70.8172.5-176.2171.90111.7N428 L429 W430 R435 L897N428-K432 PolarHBondContact ND2-NZ 3.34Å; N428-K432 WeakPolarHBondContact O-CG 3.41Å; N428-K432 PolarHBondContact O-N 3.2Å; N428-K432 VanDerWaalsContact O-N 3.09Å; L429-K432 PolarHBondContact O-N 3.37Å; W430-K432 VanDerWaalsContact C-N 3.29Å; W430-K432 PolarHBondContact O-N 3.5Å; K432-R435 PolarHBondContact O-N 3.11Å; K432-L897 HydrophobicContact CB-CD1 4.17Å
433Q75.9Confident79.3Confident1 Ų143.2 Ų43.21%0.00522%0.215CC..Hα-helixtrans-69.3-39.9-178.4-64179.9-73.700112.6T403 V405 L429 W430 R435 L436 K437 V896 E900T403-Q433 PolarHBondContact O-OE1 3.35Å; V405-Q433 HydrophobicContact CB-CB 4Å; V405-Q433 HydrophobicContact CG1-CB 3.5Å; V405-Q433 VanDerWaalsContact CG1-CB 3.5Å; V405-Q433 HydrophobicContact CG1-CG 4.4Å; L429-Q433 HydrophobicContact CD1-CG 4.33Å; L429-Q433 WeakPolarHBondContact O-CG 3.43Å; L429-Q433 PolarHBondContact O-N 2.84Å; W430-Q433 PolarHBondContact O-N 2.91Å; Q433-R435 VanDerWaalsContact C-N 3.28Å; Q433-R435 PolarHBondContact O-N 3.48Å; Q433-L436 WeakPolarHBondContact O-CB 3.42Å; Q433-L436 PolarHBondContact O-N 3.26Å; Q433-K437 PolarHBondContact O-N 3.16Å; Q433-V896 HydrophobicContact CG-CG1 4.3Å; Q433-E900 HydrophobicContact CB-CG 4.45Å; Q433-E900 HydrophobicContact CG-CB 4.38Å; Q433-E900 HydrophobicContact CG-CG 4.5Å
434L85.1Confident79.6Confident4 Ų444.6 Ų44.62%0.02123%0.226CC..Hα-helixtrans-64.2-33.4177.9-70.7172.8000112V405 I409 W430 L436 K437 V442 L446 L470 F471V405-L434 HydrophobicContact CG2-CD1 4.41Å; V405-L434 HydrophobicContact CG2-CD2 3.51Å; V405-L434 HydrophobicContact CG2-CG 3.72Å; I409-L434 HydrophobicContact CD1-CD2 3.83Å; I409-L434 HydrophobicContact CG1-CD2 4.17Å; W430-L434 HydrophobicContact CB-CD1 4.43Å; W430-L434 VanDerWaalsContact O-CB 3.25Å; W430-L434 WeakPolarHBondContact O-CB 3.25Å; W430-L434 WeakPolarHBondContact O-CG 3.47Å; W430-L434 PolarHBondContact O-N 3.5Å; L434-L436 PolarHBondContact O-N 3.21Å; L434-K437 WeakPolarHBondContact O-CB 3.39Å; L434-K437 PolarHBondContact O-N 3.06Å; L434-V442 HydrophobicContact CB-CG2 4.36Å; L434-V442 HydrophobicContact CD2-CG1 4.42Å; L434-V442 HydrophobicContact CD2-CG2 4.19Å; L434-V442 WeakPolarHBondContact O-CG2 3.31Å; L434-L446 HydrophobicContact CD1-CD1 4.02Å; L434-L446 HydrophobicContact CD2-CD1 3.84Å; L434-L470 HydrophobicContact CB-CD1 4.4Å; L434-L470 HydrophobicContact CB-CD2 3.6Å; L434-L470 HydrophobicContact CD1-CD2 3.63Å; L434-L470 HydrophobicContact CG-CD2 4.25Å; L434-F471 HydrophobicContact CD1-CE2 4.22Å; L434-F471 HydrophobicContact CD1-CZ 3.63Å
435R82.6Confident80.2Confident99 Ų9945.2 Ų45.237%0.37423%0.228SC..Hα-helixtrans-66.4-22.2173.5-78.1174.4-179.6148.52.7113.8L431 K432 Q433 E466 L470L431-R435 WeakPolarHBondContact O-CB 3.33Å; L431-R435 VanDerWaalsContact O-CG 3.23Å; L431-R435 WeakPolarHBondContact O-CG 3.45Å; L431-R435 PolarHBondContact O-N 3.38Å; K432-R435 PolarHBondContact O-N 3.11Å; Q433-R435 VanDerWaalsContact C-N 3.28Å; Q433-R435 PolarHBondContact O-N 3.48Å; R435-E466 IonicContact CZ-OE2 2.82Å; R435-E466 VanDerWaalsContact CZ-OE2 3.3Å; R435-E466 IonicContact NH1-OE2 3.64Å; R435-E466 PolarHBondContact NH1-OE2 3.3Å; R435-E466 IonicContact NH2-OE2 3.26Å; R435-E466 PolarHBondContact NH2-OE2 3.24Å; R435-L470 HydrophobicContact CG-CD1 4.2Å
436L77Confident81.3Confident51 Ų5144.4 Ų44.427%0.26722%0.223SC..Hα-helixtrans-79.7-23.1173.2-61.8177.5000111Q433 L434 L897 E900 Q901 Q904Q433-L436 WeakPolarHBondContact O-CB 3.42Å; Q433-L436 PolarHBondContact O-N 3.26Å; L434-L436 PolarHBondContact O-N 3.21Å; L436-L897 HydrophobicContact CD1-CD1 3.97Å; L436-E900 HydrophobicContact CB-CG 4.49Å; L436-E900 HydrophobicContact CD1-CB 4.48Å; L436-E900 HydrophobicContact CD1-CG 4.01Å; L436-Q901 HydrophobicContact CD1-CG 3.96Å; L436-Q904 PolarHBondContact O-NE2 3.18Å
437K81Confident82Confident29 Ų2945.5 Ų45.513%0.12623%0.234CC..SBendtrans-77.4150177.2-60.2-62.2-172.8-175.50111.7Q406 I409 Q433 L434 K439 V442 E900Q406-K437 VanDerWaalsContact OE1-CE 3.25Å; I409-K437 HydrophobicContact CD1-CG 4.22Å; Q433-K437 PolarHBondContact O-N 3.16Å; L434-K437 WeakPolarHBondContact O-CB 3.39Å; L434-K437 PolarHBondContact O-N 3.06Å; K437-K439 PolarHBondContact O-N 2.96Å; K437-V442 HydrophobicContact CB-CG2 3.82Å; K437-E900 WeakPolarHBondContact CE-OE1 3.42Å; K437-E900 VanDerWaalsContact NZ-CD 3.31Å; K437-E900 IonicContact NZ-OE1 3.28Å; K437-E900 PolarHBondContact NZ-OE1 3.2Å; K437-E900 IonicContact NZ-OE2 2.73Å; K437-E900 PolarHBondContact NZ-OE2 3.01Å
438P84.6Confident82.4Confident67 Ų6746 Ų4644%0.43524%0.238SC..  trans-51.9135.3169.5-25.833.6000111.5E440 I441 V442P438-E440 PolarHBondContact O-N 3.39Å; P438-I441 HydrophobicContact CB-CB 4.46Å; P438-I441 HydrophobicContact CB-CD1 4.18Å; P438-I441 HydrophobicContact CB-CG1 4.14Å; P438-I441 HydrophobicContact CG-CD1 3.88Å; P438-I441 HydrophobicContact CG-CG1 4.4Å; P438-I441 WeakPolarHBondContact O-CB 3.25Å; P438-I441 PolarHBondContact O-N 2.87Å; P438-V442 PolarHBondContact O-N 3.46Å
439K84.5Confident83.3Confident170 Ų17045 Ų4574%0.73923%0.233SC*.Hα-helixtrans-60.4-33.5-175.6-74180179.9170.70112K437 I441 V442 T443K437-K439 PolarHBondContact O-N 2.96Å; K439-I441 VanDerWaalsContact C-N 3.35Å; K439-V442 PolarHBondContact O-N 2.99Å; K439-T443 WeakPolarHBondContact O-CB 3.39Å; K439-T443 PolarHBondContact O-N 2.87Å; K439-T443 PolarHBondContact O-OG1 3.23Å
440E84.4Confident84.3Confident143 Ų14347.3 Ų47.367%0.66824%0.241SC*.Hα-helixtrans-63.6-41177.5-58.676.6-16000111.1P438 S444P438-E440 PolarHBondContact O-N 3.39Å; E440-S444 VanDerWaalsContact O-CB 3.25Å; E440-S444 WeakPolarHBondContact O-CB 3.24Å; E440-S444 PolarHBondContact O-N 3.47Å; E440-S444 PolarHBondContact O-OG 3.39Å
441I84.6Confident84.9Confident57 Ų5746.7 Ų46.729%0.29224%0.239SC..Hα-helixtrans-65.4-48177.7-66.7-177.9000110.3I409 P438 K439 T443 S444 H445I409-I441 HydrophobicContact CG2-CG2 4.49Å; P438-I441 HydrophobicContact CB-CB 4.46Å; P438-I441 HydrophobicContact CB-CD1 4.18Å; P438-I441 HydrophobicContact CB-CG1 4.14Å; P438-I441 HydrophobicContact CG-CD1 3.88Å; P438-I441 HydrophobicContact CG-CG1 4.4Å; P438-I441 WeakPolarHBondContact O-CB 3.25Å; P438-I441 PolarHBondContact O-N 2.87Å; K439-I441 VanDerWaalsContact C-N 3.35Å; I441-T443 VanDerWaalsContact C-N 3.34Å; I441-T443 PolarHBondContact O-N 2.89Å; I441-S444 PolarHBondContact O-OG 3.46Å; I441-H445 WeakPolarHBondContact O-CB 3.42Å; I441-H445 PolarHBondContact O-N 2.9Å
442V85.1Confident85.6Confident6 Ų646.7 Ų46.74%0.03624%0.239CC..Hα-helixtrans-59.6-47.6179.2179.80000110.5L434 K437 P438 K439 L446 L470L434-V442 HydrophobicContact CB-CG2 4.36Å; L434-V442 HydrophobicContact CD2-CG1 4.42Å; L434-V442 HydrophobicContact CD2-CG2 4.19Å; L434-V442 WeakPolarHBondContact O-CG2 3.31Å; K437-V442 HydrophobicContact CB-CG2 3.82Å; P438-V442 PolarHBondContact O-N 3.46Å; K439-V442 PolarHBondContact O-N 2.99Å; V442-L446 HydrophobicContact CG1-CD1 4.14Å; V442-L446 VanDerWaalsContact O-CB 3.31Å; V442-L446 WeakPolarHBondContact O-CB 3.43Å; V442-L446 PolarHBondContact O-N 2.78Å; V442-L446 VanDerWaalsContact O-N 3.14Å; V442-L470 HydrophobicContact CG1-CD1 4.43Å; V442-L470 HydrophobicContact CG1-CG 4.49Å
443T86.3Confident86.6Confident102 Ų10245.5 Ų45.563%0.62623%0.234SC*.Hα-helixtrans-66.8-45.3-176.5-510000111.6K439 I441 S447K439-T443 WeakPolarHBondContact O-CB 3.39Å; K439-T443 PolarHBondContact O-N 2.87Å; K439-T443 PolarHBondContact O-OG1 3.23Å; I441-T443 VanDerWaalsContact C-N 3.34Å; I441-T443 PolarHBondContact O-N 2.89Å; T443-S447 WeakPolarHBondContact O-CB 3.15Å; T443-S447 PolarHBondContact O-N 3.33Å
444S87.7Confident87.3Confident61 Ų6145.5 Ų45.543%0.42723%0.234SC..Hα-helixtrans-74.8-44.8-177.360.20000112.5E440 I441 S447E440-S444 VanDerWaalsContact O-CB 3.25Å; E440-S444 WeakPolarHBondContact O-CB 3.24Å; E440-S444 PolarHBondContact O-N 3.47Å; E440-S444 PolarHBondContact O-OG 3.39Å; I441-S444 PolarHBondContact O-OG 3.46Å; S444-S447 WeakPolarHBondContact O-CB 3.38Å; S444-S447 PolarHBondContact O-OG 2.9Å
445H89.4Confident87.4Confident18 Ų1845.5 Ų45.58%0.08324%0.235CC..Hα-helixtrans-80.8-26.5-172.6-66.5-166.9000113.3H44 I409 K413 I441H44-H445 AromaticContact CE1-NE2 3.84Å; H44-H445 AromaticContact NE2-CE1 3.67Å; H44-H445 AromaticContact NE2-NE2 3.61Å; I409-H445 HydrophobicContact CG2-CB 3.61Å; I409-H445 VanDerWaalsContact CG2-ND1 3.31Å; I409-H445 WeakPolarHBondContact CG2-ND1 3.41Å; K413-H445 HydrophobicContact CB-CB 4.14Å; K413-H445 HydrophobicContact CD-CB 4.41Å; K413-H445 PolarHBondContact N-O 3.48Å; K413-H445 PolarHBondContact NZ-CE1 3.08Å; K413-H445 PolarHBondContact NZ-NE2 3.48Å; I441-H445 WeakPolarHBondContact O-CB 3.42Å; I441-H445 PolarHBondContact O-N 2.9Å
446L90.9Very high87.2Confident9 Ų941.4 Ų41.45%0.04722%0.224CC..THydrogen-bonded Turntrans-100.714.5175.1-54.1179.3000112.5I409 T412 L434 V442 S448 L449 F471I409-L446 HydrophobicContact CG1-CD1 4.48Å; I409-L446 HydrophobicContact CG1-CD2 4.13Å; I409-L446 HydrophobicContact CG1-CG 4.41Å; T412-L446 HydrophobicContact CG2-CD2 3.66Å; L434-L446 HydrophobicContact CD1-CD1 4.02Å; L434-L446 HydrophobicContact CD2-CD1 3.84Å; V442-L446 HydrophobicContact CG1-CD1 4.14Å; V442-L446 VanDerWaalsContact O-CB 3.31Å; V442-L446 WeakPolarHBondContact O-CB 3.43Å; V442-L446 PolarHBondContact O-N 2.78Å; V442-L446 VanDerWaalsContact O-N 3.14Å; L446-S448 PolarHBondContact O-N 3.34Å; L446-L449 VanDerWaalsContact O-CB 3.28Å; L446-L449 WeakPolarHBondContact O-CB 3.19Å; L446-L449 PolarHBondContact O-N 3.38Å; L446-F471 HydrophobicContact CB-CE1 4.16Å; L446-F471 HydrophobicContact CD1-CE1 3.64Å; L446-F471 HydrophobicContact CD1-CZ 3.99Å
447S89.2Confident87.2Confident57 Ų5741 Ų4140%0.39922%0.221SC..THydrogen-bonded Turntrans-61.3-23.7-178.154.60000114.6T443 S444 R450T443-S447 WeakPolarHBondContact O-CB 3.15Å; T443-S447 PolarHBondContact O-N 3.33Å; S444-S447 WeakPolarHBondContact O-CB 3.38Å; S444-S447 PolarHBondContact O-OG 2.9Å; S447-R450 PolarHBondContact O-NH1 3.41Å
448S91.1Very high87.2Confident13 Ų1342.4 Ų42.49%0.09123%0.23CC..THydrogen-bonded Turntrans-80.3-17.7176.459.30000113.6T412 K416 I417 S418 L446 R450T412-S448 WeakPolarHBondContact CG2-OG 3.33Å; K416-S448 VanDerWaalsContact C-OG 3.25Å; K416-S448 WeakPolarHBondContact CA-OG 3.09Å; I417-S448 PolarHBondContact N-OG 2.98Å; I417-S448 CarbonylContact O-C 3.55Å; I417-S448 WeakPolarHBondContact O-CB 3.46Å; I417-S448 PolarHBondContact O-OG 3.16Å; S418-S448 WeakPolarHBondContact CA-O 3.48Å; S418-S448 WeakPolarHBondContact CB-O 3.31Å; L446-S448 PolarHBondContact O-N 3.34Å; S448-R450 PolarHBondContact O-N 3.39Å; S448-R450 PolarHBondContact O-NH1 3.34Å
449L91.4Very high87.1Confident6 Ų639.3 Ų39.33%0.03121%0.21CC..  trans-66.4134-177.7-169.363.8000109.5I417 I420 L446 V452 F471 M476I417-L449 PolarHBondContact O-N 2.78Å; I420-L449 HydrophobicContact CB-CD1 4.41Å; I420-L449 HydrophobicContact CD1-CD1 3.47Å; I420-L449 VanDerWaalsContact CD1-CD1 3.47Å; I420-L449 HydrophobicContact CD1-CD2 4.31Å; I420-L449 HydrophobicContact CG1-CD1 3.75Å; L446-L449 VanDerWaalsContact O-CB 3.28Å; L446-L449 WeakPolarHBondContact O-CB 3.19Å; L446-L449 PolarHBondContact O-N 3.38Å; L449-V452 HydrophobicContact CD1-CG2 4.34Å; L449-V452 HydrophobicContact CD2-CG2 3.79Å; L449-V452 HydrophobicContact CG-CG2 4.2Å; L449-F471 HydrophobicContact CD2-CE1 4.07Å; L449-F471 HydrophobicContact CD2-CZ 4.31Å; L449-M476 HydrophobicContact CB-CE 3.84Å; L449-M476 HydrophobicContact CD2-CE 4.11Å; L449-M476 HydrophobicContact CG-CE 3.83Å; L449-M476 HydrophobicContact CG-SD 4.2Å; L449-M476 WeakPolarHBondContact O-CE 3.48Å
450R89.2Confident86.9Confident52 Ų5235.2 Ų35.220%0.19619%0.193CC..  trans-128.4-37.7-177.1-69-64.8-179.8-838.5112.4S418 S447 S448 N473 E475 M476 R477S418-R450 PolarHBondContact O-N 2.79Å; S447-R450 PolarHBondContact O-NH1 3.41Å; S448-R450 PolarHBondContact O-N 3.39Å; S448-R450 PolarHBondContact O-NH1 3.34Å; R450-N473 PolarHBondContact NH1-ND2 2.68Å; R450-E475 IonicContact CZ-OE2 2.92Å; R450-E475 IonicContact NE-OE2 3.94Å; R450-E475 PolarHBondContact NE-OE2 2.86Å; R450-E475 IonicContact NH2-OE2 2.74Å; R450-E475 PolarHBondContact NH2-OE2 2.85Å; R450-M476 CarbonylContact O-C 3.58Å; R450-M476 WeakPolarHBondContact O-CA 3.38Å; R450-R477 PolarHBondContact O-N 3.12Å
451T91.8Very high87Confident1 Ų128.9 Ų28.91%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-133.8126-176.5-64.80000110.3S418 H419 I420 I453 R477 I479S418-T451 PolarHBondContact O-N 3.09Å; H419-T451 WeakPolarHBondContact CA-O 3.36Å; I420-T451 PolarHBondContact N-O 2.72Å; T451-I453 HydrophobicContact CG2-CG1 3.91Å; T451-R477 WeakPolarHBondContact CA-O 3.36Å; T451-R477 PolarHBondContact OG1-NE 3.13Å; T451-R477 PolarHBondContact OG1-NH2 2.93Å; T451-I479 HydrophobicContact CG2-CD1 3.53Å; T451-I479 HydrophobicContact CG2-CG1 3.93Å
452V93.1Very high86.8Confident2 Ų232.7 Ų32.71%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-112.5121165.6179.30000108.5I420 T422 L449 F467 R477 L478 I479I420-V452 CarbonylContact O-C 3.53Å; I420-V452 WeakPolarHBondContact O-CA 3.4Å; T422-V452 HydrophobicContact CG2-CG1 3.91Å; L449-V452 HydrophobicContact CD1-CG2 4.34Å; L449-V452 HydrophobicContact CD2-CG2 3.79Å; L449-V452 HydrophobicContact CG-CG2 4.2Å; V452-F467 HydrophobicContact CB-CE2 3.87Å; V452-F467 HydrophobicContact CB-CZ 3.79Å; V452-F467 HydrophobicContact CG1-CE2 4.2Å; V452-F467 HydrophobicContact CG2-CE2 3.72Å; V452-F467 HydrophobicContact CG2-CZ 3.73Å; V452-R477 PolarHBondContact N-O 2.89Å; V452-L478 HydrophobicContact CB-CD1 4.28Å; V452-L478 HydrophobicContact CG1-CD1 4.22Å; V452-L478 CarbonylContact O-C 3.58Å; V452-L478 WeakPolarHBondContact O-CA 3.34Å; V452-I479 PolarHBondContact O-N 2.96Å
453I93.3Very high86.7Confident8 Ų833.6 Ų33.64%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-96.1128.6176.4-55.5176.6000107.5I420 T421 T422 T451 I479 L481I420-I453 PolarHBondContact O-N 3.02Å; T421-I453 CarbonylContact C-O 3.57Å; T421-I453 WeakPolarHBondContact CA-O 3.19Å; T421-I453 HydrophobicContact CG2-CB 4.19Å; T421-I453 HydrophobicContact CG2-CG2 4.16Å; T422-I453 PolarHBondContact N-O 3.34Å; T451-I453 HydrophobicContact CG2-CG1 3.91Å; I453-I479 CarbonylContact C-O 3.57Å; I453-I479 WeakPolarHBondContact CA-O 3.02Å; I453-I479 HydrophobicContact CG1-CB 4.23Å; I453-I479 HydrophobicContact CG1-CD1 4.34Å; I453-L481 HydrophobicContact CG2-CD1 3.32Å; I453-L481 HydrophobicContact CG2-CG 3.64Å
454V90.8Very high86.9Confident0 Ų028.8 Ų28.80%015%0.153CC..EExtended strand (participates in β ladder)trans-111.4121.6171.6-76.70000109.3T422 M427 V459 L478 I479 N480 L481T422-V454 HydrophobicContact CG2-CG1 3.68Å; T422-V454 WeakPolarHBondContact O-CA 3.25Å; M427-V454 HydrophobicContact CB-CG1 4.46Å; M427-V454 HydrophobicContact CE-CG1 3.82Å; M427-V454 HydrophobicContact SD-CG1 3.57Å; M427-V454 VanDerWaalsContact SD-CG1 3.57Å; V454-V459 HydrophobicContact CB-CG2 3.86Å; V454-V459 HydrophobicContact CG2-CG2 3.52Å; V454-L478 HydrophobicContact CG1-CD1 3.97Å; V454-L478 HydrophobicContact CG2-CD1 3.86Å; V454-L478 HydrophobicContact CG2-CG 4.12Å; V454-I479 WeakPolarHBondContact CG2-O 3.48Å; V454-I479 PolarHBondContact N-O 2.78Å; V454-N480 HydrophobicContact CG2-CB 4.21Å; V454-L481 PolarHBondContact O-N 2.71Å
455S88.4Confident87Confident4 Ų426.7 Ų26.73%0.02814%0.138CC..  trans-139.1177.9175.1-169.10000110.3T422 V423 P424 D457 D490T422-S455 PolarHBondContact O-N 3.5Å; V423-S455 WeakPolarHBondContact CA-O 3.5Å; V423-S455 WeakPolarHBondContact CG1-O 3.18Å; P424-S455 WeakPolarHBondContact CD-O 3.09Å; S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 PolarHBondContact O-N 2.7Å; S455-D490 PolarHBondContact OG-OD1 3.16Å
456G78.3Confident87Confident14 Ų1427.4 Ų27.414%0.14414%0.142CC..SBendtrans84.6-19.4170.800000114.9K669G456-K669 WeakPolarHBondContact O-CD 3.34Å; G456-K669 WeakPolarHBondContact O-CE 3.32Å; G456-K669 PolarHBondContact O-NZ 2.96Å
457D76.4Confident87.1Confident41 Ų4127.1 Ų27.122%0.21914%0.14CC..SBendtrans-154.3171.4175.9-145.9-18.4000113.2P424 S455 V459P424-D457 HydrophobicContact CG-CB 3.85Å; P424-D457 WeakPolarHBondContact CG-O 3.44Å; S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 PolarHBondContact O-N 2.7Å; D457-V459 PolarHBondContact O-N 2.69Å
458I80.2Confident87.3Confident60 Ų6025.2 Ų25.231%0.30813%0.125SC..PPolyproline II helixtrans-72.4120.6178.8-60176.4000110I660I458-I660 HydrophobicContact CD1-CG2 4.14Å; I458-I660 HydrophobicContact CG1-CG2 4.22Å
459V82.6Confident87.3Confident2 Ų229.1 Ų29.11%0.01214%0.142CC..PPolyproline II helixtrans-79.7124.7173.2-178.30000110.2P424 M427 V454 D457 A464 N480 L525P424-V459 HydrophobicContact CB-CG2 4.47Å; P424-V459 HydrophobicContact CG-CG2 3.72Å; M427-V459 HydrophobicContact CE-CG1 4.41Å; V454-V459 HydrophobicContact CB-CG2 3.86Å; V454-V459 HydrophobicContact CG2-CG2 3.52Å; D457-V459 PolarHBondContact O-N 2.69Å; V459-A464 HydrophobicContact CG1-CB 4.22Å; V459-N480 VanDerWaalsContact CG2-OD1 3.31Å; V459-N480 WeakPolarHBondContact CG2-OD1 3.28Å; V459-L525 HydrophobicContact CB-CD2 4.18Å; V459-L525 HydrophobicContact CG1-CD2 3.92Å
460H81.5Confident87.2Confident83 Ų8330.7 Ų30.738%0.38415%0.15SC..PPolyproline II helixtrans-77.5131.4172.8-169.7-80.6000110.7K462 M463 A464H460-K462 VanDerWaalsContact C-N 3.28Å; H460-K462 VanDerWaalsContact CE1-CB 3.5Å; H460-K462 WeakPolarHBondContact CE1-CB 3.43Å; H460-K462 WeakPolarHBondContact ND1-CB 3.33Å; H460-K462 PolarHBondContact ND1-N 3.22Å; H460-K462 PolarHBondContact O-N 3.34Å; H460-K462 VanDerWaalsContact O-N 3.16Å; H460-M463 HydrophobicContact CB-CB 4.43Å; H460-M463 WeakPolarHBondContact O-CA 3.38Å; H460-M463 VanDerWaalsContact O-CB 3.28Å; H460-M463 WeakPolarHBondContact O-CB 3.36Å; H460-M463 PolarHBondContact O-N 2.89Å; H460-A464 PolarHBondContact O-N 2.94Å
461P84.9Confident87.2Confident10 Ų1029.3 Ų29.37%0.06515%0.145CC..Hα-helixtrans-54-39.3-178.2-31.837.9000114.7M463 A464 C465 V502 T506 P523 L525P461-M463 VanDerWaalsContact C-N 3.29Å; P461-M463 PolarHBondContact O-N 3.14Å; P461-A464 PolarHBondContact O-N 2.87Å; P461-C465 PolarHBondContact O-N 3.2Å; P461-C465 PolarHBondContact O-SG 3.11Å; P461-V502 HydrophobicContact CB-CG1 4.32Å; P461-T506 HydrophobicContact CB-CG2 3.95Å; P461-T506 WeakPolarHBondContact CB-OG1 3.4Å; P461-T506 HydrophobicContact CG-CG2 3.62Å; P461-P523 HydrophobicContact CG-CB 4.1Å; P461-L525 HydrophobicContact CG-CB 4.08Å; P461-L525 HydrophobicContact CG-CD1 4.39Å
462K81.3Confident86.8Confident137 Ų13737.8 Ų37.860%0.59618%0.182SC*.Hα-helixtrans-56.3-41.8174-171.2-178.1175.6-178.10112.4H460 C465 E466H460-K462 VanDerWaalsContact C-N 3.28Å; H460-K462 VanDerWaalsContact CE1-CB 3.5Å; H460-K462 WeakPolarHBondContact CE1-CB 3.43Å; H460-K462 WeakPolarHBondContact ND1-CB 3.33Å; H460-K462 PolarHBondContact ND1-N 3.22Å; H460-K462 PolarHBondContact O-N 3.34Å; H460-K462 VanDerWaalsContact O-N 3.16Å; K462-C465 PolarHBondContact O-N 3.14Å; K462-E466 WeakPolarHBondContact CE-OE1 3.2Å; K462-E466 VanDerWaalsContact O-CB 3.32Å; K462-E466 WeakPolarHBondContact O-CB 3.43Å; K462-E466 VanDerWaalsContact O-CG 3.26Å; K462-E466 WeakPolarHBondContact O-CG 3.23Å; K462-E466 PolarHBondContact O-N 3.17Å
463M82.4Confident86.2Confident26 Ų2639.8 Ų39.813%0.12819%0.193CC..Hα-helixtrans-66.4-39.4179.1-168.4-166.1-62.900111.2P424 M427 N428 L431 H460 P461 E466 F467P424-M463 HydrophobicContact CB-CE 4.39Å; P424-M463 HydrophobicContact CB-SD 4.29Å; M427-M463 HydrophobicContact CB-SD 4.46Å; M427-M463 HydrophobicContact CE-CG 3.79Å; M427-M463 HydrophobicContact CE-SD 3.45Å; M427-M463 WeakPolarHBondContact CE-SD 3.23Å; N428-M463 HydrophobicContact CB-CE 3.67Å; N428-M463 HydrophobicContact CB-SD 3.98Å; L431-M463 HydrophobicContact CD1-CG 3.89Å; H460-M463 HydrophobicContact CB-CB 4.43Å; H460-M463 WeakPolarHBondContact O-CA 3.38Å; H460-M463 VanDerWaalsContact O-CB 3.28Å; H460-M463 WeakPolarHBondContact O-CB 3.36Å; H460-M463 PolarHBondContact O-N 2.89Å; P461-M463 VanDerWaalsContact C-N 3.29Å; P461-M463 PolarHBondContact O-N 3.14Å; M463-E466 WeakPolarHBondContact O-CB 2.93Å; M463-E466 PolarHBondContact O-N 2.85Å; M463-F467 PolarHBondContact O-N 2.91Å
464A90.5Very high85.7Confident0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-65.5-40.1174.600000112.1V459 H460 P461 F467 F468 L478 V502 L525V459-A464 HydrophobicContact CG1-CB 4.22Å; H460-A464 PolarHBondContact O-N 2.94Å; P461-A464 PolarHBondContact O-N 2.87Å; A464-F467 WeakPolarHBondContact O-CB 3.4Å; A464-F467 PolarHBondContact O-N 3.24Å; A464-F468 WeakPolarHBondContact O-CD2 3.22Å; A464-F468 PolarHBondContact O-N 3.36Å; A464-L478 HydrophobicContact CB-CD2 3.64Å; A464-V502 HydrophobicContact CB-CG1 3.81Å; A464-V502 HydrophobicContact CB-CG2 3.86Å; A464-L525 HydrophobicContact CB-CD2 4.11Å
465C91Very high85.4Confident17 Ų1750.7 Ų50.712%0.11525%0.254CS..Hα-helixtrans-63.6-45.4172.3-670000111.6P461 K462 F467 F468 Q469 E499P461-C465 PolarHBondContact O-N 3.2Å; P461-C465 PolarHBondContact O-SG 3.11Å; K462-C465 PolarHBondContact O-N 3.14Å; C465-F467 PolarHBondContact O-N 3.09Å; C465-F468 PolarHBondContact O-N 3.45Å; C465-F468 VanDerWaalsContact O-N 3.15Å; C465-Q469 WeakPolarHBondContact O-CG 3.44Å; C465-Q469 PolarHBondContact O-N 3.41Å; C465-E499 HydrophobicContact CB-CG 4.21Å
466E88.4Confident85.5Confident33 Ų3350.6 Ų50.615%0.15425%0.253CS..Hα-helixtrans-58.5-33.3177-82.2-172.7-149.700113.1L431 R435 K462 M463 L470L431-E466 HydrophobicContact CD1-CB 4.21Å; R435-E466 IonicContact CZ-OE2 2.82Å; R435-E466 VanDerWaalsContact CZ-OE2 3.3Å; R435-E466 IonicContact NH1-OE2 3.64Å; R435-E466 PolarHBondContact NH1-OE2 3.3Å; R435-E466 IonicContact NH2-OE2 3.26Å; R435-E466 PolarHBondContact NH2-OE2 3.24Å; K462-E466 WeakPolarHBondContact CE-OE1 3.2Å; K462-E466 VanDerWaalsContact O-CB 3.32Å; K462-E466 WeakPolarHBondContact O-CB 3.43Å; K462-E466 VanDerWaalsContact O-CG 3.26Å; K462-E466 WeakPolarHBondContact O-CG 3.23Å; K462-E466 PolarHBondContact O-N 3.17Å; M463-E466 WeakPolarHBondContact O-CB 2.93Å; M463-E466 PolarHBondContact O-N 2.85Å; E466-L470 PolarHBondContact O-N 3.19Å
467F93.1Very high86.1Confident3 Ų351.4 Ų51.41%0.01325%0.252CS..Hα-helixtrans-61.4-52172.3171-90.4000111.9M427 L431 V452 M463 A464 C465 Q469 L470 F471 M476 L478M427-F467 HydrophobicContact SD-CD2 3.92Å; M427-F467 HydrophobicContact SD-CG 4.41Å; L431-F467 HydrophobicContact CD1-CB 4.31Å; L431-F467 HydrophobicContact CD2-CB 4.21Å; L431-F467 HydrophobicContact CD2-CD2 4.26Å; V452-F467 HydrophobicContact CB-CE2 3.87Å; V452-F467 HydrophobicContact CB-CZ 3.79Å; V452-F467 HydrophobicContact CG1-CE2 4.2Å; V452-F467 HydrophobicContact CG2-CE2 3.72Å; V452-F467 HydrophobicContact CG2-CZ 3.73Å; M463-F467 PolarHBondContact O-N 2.91Å; A464-F467 WeakPolarHBondContact O-CB 3.4Å; A464-F467 PolarHBondContact O-N 3.24Å; C465-F467 PolarHBondContact O-N 3.09Å; F467-Q469 VanDerWaalsContact C-N 3.29Å; F467-Q469 PolarHBondContact O-N 2.85Å; F467-L470 PolarHBondContact O-N 3.17Å; F467-L470 VanDerWaalsContact O-N 3.16Å; F467-F471 AromaticContact CD2-CD2 3.6Å; F467-F471 HydrophobicContact CD2-CD2 3.6Å; F467-F471 AromaticContact CD2-CE2 3.77Å; F467-F471 HydrophobicContact CD2-CE2 3.77Å; F467-F471 HydrophobicContact CE1-CD2 4.43Å; F467-F471 AromaticContact CE2-CD2 3.41Å; F467-F471 HydrophobicContact CE2-CD2 3.41Å; F467-F471 VanDerWaalsContact CE2-CD2 3.41Å; F467-F471 AromaticContact CE2-CE2 3.56Å; F467-F471 HydrophobicContact CE2-CE2 3.56Å; F467-F471 HydrophobicContact CE2-CG 4.36Å; F467-F471 HydrophobicContact CG-CD2 4.18Å; F467-F471 AromaticContact CZ-CD2 3.87Å; F467-F471 HydrophobicContact CZ-CD2 3.87Å; F467-F471 HydrophobicContact CZ-CE2 4.38Å; F467-F471 HydrophobicContact CZ-CG 4.43Å; F467-F471 WeakPolarHBondContact O-CD2 3.29Å; F467-F471 PolarHBondContact O-N 3.49Å; F467-M476 HydrophobicContact CE1-CG 3.69Å; F467-M476 HydrophobicContact CE1-SD 4.43Å; F467-M476 HydrophobicContact CZ-CG 3.74Å; F467-M476 HydrophobicContact CZ-SD 3.9Å; F467-L478 HydrophobicContact CD1-CB 4.12Å; F467-L478 HydrophobicContact CD1-CD1 4.33Å; F467-L478 HydrophobicContact CD1-CD2 4.37Å; F467-L478 HydrophobicContact CE1-CB 3.94Å; F467-L478 HydrophobicContact CE1-CD1 4.29Å; F467-L478 HydrophobicContact CG-CD1 4.47Å; F467-L478 HydrophobicContact CZ-CD1 4.39Å
468F94.3Very high87Confident18 Ų1849.5 Ų49.58%0.07924%0.242CC..Hα-helixtrans-68-26.9179.1-71.2-67.6000113.6A464 C465 L470 F471 L478 F496 E499 V502A464-F468 WeakPolarHBondContact O-CD2 3.22Å; A464-F468 PolarHBondContact O-N 3.36Å; C465-F468 PolarHBondContact O-N 3.45Å; C465-F468 VanDerWaalsContact O-N 3.15Å; F468-L470 VanDerWaalsContact C-N 3.3Å; F468-F471 CarbonylContact O-C 3.38Å; F468-L478 HydrophobicContact CE2-CB 3.99Å; F468-L478 HydrophobicContact CE2-CD2 4.38Å; F468-L478 HydrophobicContact CZ-CB 3.63Å; F468-F496 HydrophobicContact CE2-CB 3.91Å; F468-F496 HydrophobicContact CZ-CB 3.87Å; F468-F496 WeakPolarHBondContact CZ-O 3.45Å; F468-E499 HydrophobicContact CB-CG 4Å; F468-V502 HydrophobicContact CD2-CG2 4.03Å; F468-V502 HydrophobicContact CE2-CG2 3.75Å
469Q90.6Very high87.7Confident95 Ų9546.8 Ų46.844%0.44423%0.228SC..Hα-helixtrans-66.4-34.9173.3-71.3169.61.400112.4C465 F467 E499C465-Q469 WeakPolarHBondContact O-CG 3.44Å; C465-Q469 PolarHBondContact O-N 3.41Å; F467-Q469 VanDerWaalsContact C-N 3.29Å; F467-Q469 PolarHBondContact O-N 2.85Å; Q469-E499 WeakPolarHBondContact CG-OE1 3.39Å; Q469-E499 PolarHBondContact NE2-OE1 2.97Å; Q469-E499 PolarHBondContact NE2-OE2 3.39Å
470L89.4Confident88.2Confident39 Ų3946.8 Ų46.820%0.20423%0.228CC..Hα-helixtrans-79.4-47.9177.3-175.170.3000111.2L431 L434 R435 V442 E466 F467 F468 K472L431-L470 HydrophobicContact CD2-CB 4.36Å; L431-L470 HydrophobicContact CD2-CD2 3.61Å; L434-L470 HydrophobicContact CB-CD1 4.4Å; L434-L470 HydrophobicContact CB-CD2 3.6Å; L434-L470 HydrophobicContact CD1-CD2 3.63Å; L434-L470 HydrophobicContact CG-CD2 4.25Å; R435-L470 HydrophobicContact CG-CD1 4.2Å; V442-L470 HydrophobicContact CG1-CD1 4.43Å; V442-L470 HydrophobicContact CG1-CG 4.49Å; E466-L470 PolarHBondContact O-N 3.19Å; F467-L470 PolarHBondContact O-N 3.17Å; F467-L470 VanDerWaalsContact O-N 3.16Å; F468-L470 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.11Å
471F89.6Confident88.8Confident23 Ų2343.2 Ų43.210%0.10121%0.212CC..  trans-95.881.4-179.3-64.7-76.9000111.2L431 L434 L446 L449 F467 F468 N473 M476L431-F471 HydrophobicContact CD2-CE2 4.34Å; L434-F471 HydrophobicContact CD1-CE2 4.22Å; L434-F471 HydrophobicContact CD1-CZ 3.63Å; L446-F471 HydrophobicContact CB-CE1 4.16Å; L446-F471 HydrophobicContact CD1-CE1 3.64Å; L446-F471 HydrophobicContact CD1-CZ 3.99Å; L449-F471 HydrophobicContact CD2-CE1 4.07Å; L449-F471 HydrophobicContact CD2-CZ 4.31Å; F467-F471 AromaticContact CD2-CD2 3.6Å; F467-F471 HydrophobicContact CD2-CD2 3.6Å; F467-F471 AromaticContact CD2-CE2 3.77Å; F467-F471 HydrophobicContact CD2-CE2 3.77Å; F467-F471 HydrophobicContact CE1-CD2 4.43Å; F467-F471 AromaticContact CE2-CD2 3.41Å; F467-F471 HydrophobicContact CE2-CD2 3.41Å; F467-F471 VanDerWaalsContact CE2-CD2 3.41Å; F467-F471 AromaticContact CE2-CE2 3.56Å; F467-F471 HydrophobicContact CE2-CE2 3.56Å; F467-F471 HydrophobicContact CE2-CG 4.36Å; F467-F471 HydrophobicContact CG-CD2 4.18Å; F467-F471 AromaticContact CZ-CD2 3.87Å; F467-F471 HydrophobicContact CZ-CD2 3.87Å; F467-F471 HydrophobicContact CZ-CE2 4.38Å; F467-F471 HydrophobicContact CZ-CG 4.43Å; F467-F471 WeakPolarHBondContact O-CD2 3.29Å; F467-F471 PolarHBondContact O-N 3.49Å; F468-F471 CarbonylContact O-C 3.38Å; F471-N473 PolarHBondContact O-N 3.05Å; F471-N473 VanDerWaalsContact O-N 3.1Å; F471-M476 HydrophobicContact CB-CE 4.1Å; F471-M476 HydrophobicContact CB-CG 3.95Å; F471-M476 HydrophobicContact CD1-CE 3.93Å; F471-M476 HydrophobicContact CG-CE 4.17Å
472K82.4Confident89.2Confident178 Ų17843.2 Ų43.277%0.77421%0.21SC*.  trans-74.38.2-178.7-63.4-169.4175.7-171.90115.3L470L470-K472 PolarHBondContact O-N 3.11Å
473N81.5Confident89.7Confident45 Ų4537.1 Ų37.124%0.24119%0.186CC..  trans-69.4122.8177.2178.9-3000109.2R450 F471 E475 M476R450-N473 PolarHBondContact NH1-ND2 2.68Å; F471-N473 PolarHBondContact O-N 3.05Å; F471-N473 VanDerWaalsContact O-N 3.1Å; N473-E475 PolarHBondContact O-N 3.33Å; N473-E475 PolarHBondContact OD1-N 3.32Å; N473-M476 HydrophobicContact CB-CB 4.27Å; N473-M476 WeakPolarHBondContact O-CB 3.2Å; N473-M476 PolarHBondContact O-N 3.48Å
474P82.1Confident90.1Very high122 Ų12236.1 Ų36.179%0.79218%0.181SC*.THydrogen-bonded Turntrans-63.4-21.6-18026-35.7000113.8M476P474-M476 VanDerWaalsContact C-N 3.29Å
475E84.1Confident90.1Very high114 Ų11437 Ų3753%0.53319%0.187SC..THydrogen-bonded Turntrans-84.8-2.2175.6-55.8-169.9127.300112.9R450 N473R450-E475 IonicContact CZ-OE2 2.92Å; R450-E475 IonicContact NE-OE2 3.94Å; R450-E475 PolarHBondContact NE-OE2 2.86Å; R450-E475 IonicContact NH2-OE2 2.74Å; R450-E475 PolarHBondContact NH2-OE2 2.85Å; N473-E475 PolarHBondContact O-N 3.33Å; N473-E475 PolarHBondContact OD1-N 3.32Å
476M90.4Very high90.1Very high3 Ų336.7 Ų36.72%0.01518%0.184CC..  trans-72.6132.6-179.3-171.561.865.800111.1L449 R450 F467 F471 N473 P474L449-M476 HydrophobicContact CB-CE 3.84Å; L449-M476 HydrophobicContact CD2-CE 4.11Å; L449-M476 HydrophobicContact CG-CE 3.83Å; L449-M476 HydrophobicContact CG-SD 4.2Å; L449-M476 WeakPolarHBondContact O-CE 3.48Å; R450-M476 CarbonylContact O-C 3.58Å; R450-M476 WeakPolarHBondContact O-CA 3.38Å; F467-M476 HydrophobicContact CE1-CG 3.69Å; F467-M476 HydrophobicContact CE1-SD 4.43Å; F467-M476 HydrophobicContact CZ-CG 3.74Å; F467-M476 HydrophobicContact CZ-SD 3.9Å; F471-M476 HydrophobicContact CB-CE 4.1Å; F471-M476 HydrophobicContact CB-CG 3.95Å; F471-M476 HydrophobicContact CD1-CE 3.93Å; F471-M476 HydrophobicContact CG-CE 4.17Å; N473-M476 HydrophobicContact CB-CB 4.27Å; N473-M476 WeakPolarHBondContact O-CB 3.2Å; N473-M476 PolarHBondContact O-N 3.48Å; P474-M476 VanDerWaalsContact C-N 3.29Å
477R92.1Very high90.4Very high30 Ų3035.1 Ų35.111%0.11318%0.176CC..EExtended strand (participates in β ladder)trans-124.1138.7178.2-57.7-176.8-63.8156.4-1.6110.5D342 D344 R450 T451 V452 V495 F496D342-R477 PolarHBondContact O-NH1 3.4Å; D344-R477 VanDerWaalsContact CB-NH1 3.26Å; D344-R477 PolarHBondContact O-NH2 2.87Å; D344-R477 IonicContact OD2-NH2 3.87Å; R450-R477 PolarHBondContact O-N 3.12Å; T451-R477 WeakPolarHBondContact CA-O 3.36Å; T451-R477 PolarHBondContact OG1-NE 3.13Å; T451-R477 PolarHBondContact OG1-NH2 2.93Å; V452-R477 PolarHBondContact N-O 2.89Å; R477-V495 HydrophobicContact CB-CG1 4.2Å; R477-V495 HydrophobicContact CG-CG1 4.42Å; R477-F496 WeakPolarHBondContact CA-O 3.43Å
478L94.2Very high90.4Very high1 Ų135 Ų351%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-109.1122.4167.3-17670.1000107.8M427 V452 V454 A464 F467 F468 F496M427-L478 HydrophobicContact CE-CD1 4.49Å; M427-L478 HydrophobicContact SD-CD1 3.85Å; V452-L478 HydrophobicContact CB-CD1 4.28Å; V452-L478 HydrophobicContact CG1-CD1 4.22Å; V452-L478 CarbonylContact O-C 3.58Å; V452-L478 WeakPolarHBondContact O-CA 3.34Å; V454-L478 HydrophobicContact CG1-CD1 3.97Å; V454-L478 HydrophobicContact CG2-CD1 3.86Å; V454-L478 HydrophobicContact CG2-CG 4.12Å; A464-L478 HydrophobicContact CB-CD2 3.64Å; F467-L478 HydrophobicContact CD1-CB 4.12Å; F467-L478 HydrophobicContact CD1-CD1 4.33Å; F467-L478 HydrophobicContact CD1-CD2 4.37Å; F467-L478 HydrophobicContact CE1-CB 3.94Å; F467-L478 HydrophobicContact CE1-CD1 4.29Å; F467-L478 HydrophobicContact CG-CD1 4.47Å; F467-L478 HydrophobicContact CZ-CD1 4.39Å; F468-L478 HydrophobicContact CE2-CB 3.99Å; F468-L478 HydrophobicContact CE2-CD2 4.38Å; F468-L478 HydrophobicContact CZ-CB 3.63Å; L478-F496 HydrophobicContact CB-CB 4.31Å; L478-F496 PolarHBondContact N-O 3.24Å; L478-F496 WeakPolarHBondContact O-CD2 3.47Å; L478-F496 PolarHBondContact O-N 3.41Å
479I94.5Very high90.3Very high3 Ų334.2 Ų34.22%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-109.4118.6179-53.9-175.1000108.4M343 T451 V452 I453 V454 L481 L494 V495M343-I479 HydrophobicContact CE-CG2 3.74Å; M343-I479 HydrophobicContact SD-CG2 3.94Å; T451-I479 HydrophobicContact CG2-CD1 3.53Å; T451-I479 HydrophobicContact CG2-CG1 3.93Å; V452-I479 PolarHBondContact O-N 2.96Å; I453-I479 CarbonylContact C-O 3.57Å; I453-I479 WeakPolarHBondContact CA-O 3.02Å; I453-I479 HydrophobicContact CG1-CB 4.23Å; I453-I479 HydrophobicContact CG1-CD1 4.34Å; V454-I479 WeakPolarHBondContact CG2-O 3.48Å; V454-I479 PolarHBondContact N-O 2.78Å; I479-L481 HydrophobicContact CG2-CD2 3.49Å; I479-L481 VanDerWaalsContact CG2-CD2 3.49Å; I479-L481 HydrophobicContact CG2-CG 4.1Å; I479-L494 WeakPolarHBondContact CA-O 3.48Å; I479-V495 HydrophobicContact CD1-CG2 4.21Å; I479-V495 HydrophobicContact CG1-CG1 4.36Å; I479-V495 HydrophobicContact CG1-CG2 3.98Å; I479-V495 HydrophobicContact CG2-CG2 4.32Å
480N93.9Very high90.5Very high3 Ų329.8 Ų29.82%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-97.7113.4177.1-170.327.1000110V454 V459 G493 L494 F496 S526V454-N480 HydrophobicContact CG2-CB 4.21Å; V459-N480 VanDerWaalsContact CG2-OD1 3.31Å; V459-N480 WeakPolarHBondContact CG2-OD1 3.28Å; N480-G493 CarbonylContact O-C 3.54Å; N480-G493 WeakPolarHBondContact O-CA 3.29Å; N480-L494 PolarHBondContact N-O 2.97Å; N480-L494 PolarHBondContact O-N 3.32Å; N480-F496 HydrophobicContact CB-CD2 4.47Å; N480-F496 HydrophobicContact CB-CE2 3.74Å; N480-S526 PolarHBondContact ND2-O 3.01Å
481L93.7Very high90.7Very high8 Ų828 Ų284%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-107149.4-178.9-54.2-173.6000111.3R332 W335 M343 I453 V454 I479 D490 T492R332-L481 VanDerWaalsContact NH2-CD1 3.31Å; W335-L481 HydrophobicContact CH2-CD2 3.76Å; W335-L481 HydrophobicContact CZ3-CD2 4.12Å; M343-L481 HydrophobicContact CE-CD2 3.22Å; I453-L481 HydrophobicContact CG2-CD1 3.32Å; I453-L481 HydrophobicContact CG2-CG 3.64Å; V454-L481 PolarHBondContact O-N 2.71Å; I479-L481 HydrophobicContact CG2-CD2 3.49Å; I479-L481 VanDerWaalsContact CG2-CD2 3.49Å; I479-L481 HydrophobicContact CG2-CG 4.1Å; L481-D490 HydrophobicContact CB-CB 3.95Å; L481-D490 WeakPolarHBondContact CB-OD1 3.28Å; L481-D490 HydrophobicContact CD1-CB 4.23Å; L481-D490 WeakPolarHBondContact CD1-OD2 3.04Å; L481-T492 WeakPolarHBondContact CA-O 3.46Å
482Y93.9Very high91Very high10 Ų1026.9 Ų26.94%0.03914%0.138CC..EExtended strand (participates in β ladder)trans-130131.6170.8161.4-94.9000111.4D490 V491 T492 V527 V593 I595 P645 D647 L658 I660Y482-D490 CarbonylContact O-C 3.58Å; Y482-D490 WeakPolarHBondContact O-CA 3.31Å; Y482-V491 HydrophobicContact CD1-CG2 4.03Å; Y482-V491 HydrophobicContact CE1-CG2 4.11Å; Y482-V491 WeakPolarHBondContact O-CG2 3.17Å; Y482-V491 PolarHBondContact O-N 3.41Å; Y482-T492 WeakPolarHBondContact CB-OG1 3.42Å; Y482-T492 HydrophobicContact CD1-CG2 4.28Å; Y482-T492 PolarHBondContact N-O 3.26Å; Y482-T492 PolarHBondContact O-N 3.19Å; Y482-T492 VanDerWaalsContact O-N 3.16Å; Y482-V527 HydrophobicContact CG-CG2 4.25Å; Y482-V593 HydrophobicContact CE1-CG1 4.4Å; Y482-V593 WeakPolarHBondContact OH-CG1 3.26Å; Y482-I595 HydrophobicContact CE1-CD1 4.27Å; Y482-P645 WeakPolarHBondContact OH-CG 3.18Å; Y482-D647 HydrophobicContact CE2-CB 4.45Å; Y482-D647 WeakPolarHBondContact CE2-OD2 3.5Å; Y482-D647 PolarHBondContact OH-OD2 3.48Å; Y482-L658 HydrophobicContact CD1-CD2 4Å; Y482-L658 HydrophobicContact CE1-CD2 4.04Å; Y482-I660 HydrophobicContact CD1-CD1 4.48Å; Y482-I660 HydrophobicContact CD2-CD1 3.92Å; Y482-I660 HydrophobicContact CD2-CG1 3.68Å; Y482-I660 HydrophobicContact CE1-CD1 4.24Å; Y482-I660 HydrophobicContact CE2-CD1 3.63Å; Y482-I660 HydrophobicContact CE2-CG1 3.87Å; Y482-I660 HydrophobicContact CG-CD1 4.33Å; Y482-I660 HydrophobicContact CG-CG1 4.15Å
483G92.2Very high91.6Very high8 Ų818.5 Ų18.58%0.08210%0.103CC..  trans176.7-155.7163.400000112.4G489G483-G489 CarbonylContact C-O 3.53Å; G483-G489 WeakPolarHBondContact CA-O 3.49Å
484T89.9Confident92.2Very high5 Ų517.5 Ų17.53%0.03110%0.097CC..  trans-148.6161-16683.90000110.8E486 V487 G489 F643 P645 R674T484-E486 WeakPolarHBondContact CB-OE2 3.34Å; T484-E486 PolarHBondContact O-N 2.6Å; T484-E486 WeakPolarHBondContact OG1-CB 3.45Å; T484-E486 PolarHBondContact OG1-N 3.3Å; T484-E486 VanDerWaalsContact OG1-N 3.16Å; T484-E486 PolarHBondContact OG1-OE2 3.5Å; T484-V487 HydrophobicContact CG2-CG2 4.32Å; T484-V487 CarbonylContact O-C 3.57Å; T484-V487 WeakPolarHBondContact O-CG2 3.4Å; T484-V487 PolarHBondContact O-N 3.24Å; T484-V487 VanDerWaalsContact O-N 3.15Å; T484-V487 WeakPolarHBondContact OG1-CG2 3.3Å; T484-V487 PolarHBondContact OG1-N 2.88Å; T484-G489 PolarHBondContact N-O 3.03Å; T484-G489 PolarHBondContact O-N 3.3Å; T484-F643 HydrophobicContact CG2-CE1 3.99Å; T484-F643 WeakPolarHBondContact OG1-CE1 3.45Å; T484-P645 HydrophobicContact CG2-CB 3.99Å; T484-R674 VanDerWaalsContact CB-CZ 3.48Å; T484-R674 VanDerWaalsContact CB-NH1 3.28Å; T484-R674 VanDerWaalsContact CG2-CZ 3.42Å
485T90.5Very high92.7Very high20 Ų2012.1 Ų12.112%0.1236%0.062CC..G310 helixtrans-58.5-38.9170.2-49.80000111L309 T311 V322 L324 V487 A488L309-T485 HydrophobicContact CB-CG2 3.82Å; L309-T485 HydrophobicContact CD1-CG2 3.78Å; L309-T485 HydrophobicContact CG-CG2 4.43Å; T311-T485 HydrophobicContact CG2-CG2 4.12Å; V322-T485 HydrophobicContact CB-CG2 3.98Å; V322-T485 HydrophobicContact CG1-CG2 4.07Å; V322-T485 HydrophobicContact CG2-CG2 4.19Å; L324-T485 WeakPolarHBondContact CD2-O 3.33Å; T485-V487 PolarHBondContact O-N 2.81Å; T485-V487 VanDerWaalsContact O-N 3.13Å; T485-A488 PolarHBondContact O-N 3.02Å
486E92.2Very high93.2Very high9 Ų96.7 Ų6.74%0.0424%0.037CC..G310 helixtrans-63.9-14.1179.3-64.487.3171.200114.5V322 T484 S601 A604 F643 R674V322-E486 HydrophobicContact CG2-CG 4.13Å; T484-E486 WeakPolarHBondContact CB-OE2 3.34Å; T484-E486 PolarHBondContact O-N 2.6Å; T484-E486 WeakPolarHBondContact OG1-CB 3.45Å; T484-E486 PolarHBondContact OG1-N 3.3Å; T484-E486 VanDerWaalsContact OG1-N 3.16Å; T484-E486 PolarHBondContact OG1-OE2 3.5Å; E486-S601 VanDerWaalsContact O-CB 3.28Å; E486-S601 WeakPolarHBondContact O-CB 3.27Å; E486-S601 PolarHBondContact O-N 2.86Å; E486-A604 HydrophobicContact CB-CB 3.65Å; E486-A604 HydrophobicContact CG-CB 3.74Å; E486-F643 HydrophobicContact CB-CD1 4.28Å; E486-F643 HydrophobicContact CB-CD2 4.48Å; E486-F643 HydrophobicContact CB-CE1 3.67Å; E486-F643 HydrophobicContact CB-CE2 3.91Å; E486-F643 HydrophobicContact CB-CZ 3.46Å; E486-F643 VanDerWaalsContact CB-CZ 3.46Å; E486-F643 HydrophobicContact CG-CE1 4.4Å; E486-F643 HydrophobicContact CG-CE2 3.92Å; E486-F643 HydrophobicContact CG-CZ 3.68Å; E486-R674 IonicContact OE2-NH1 2.75Å; E486-R674 PolarHBondContact OE2-NH1 3.21Å
487V93.5Very high93.3Very high0 Ų012.3 Ų12.30%06%0.058CC..G310 helixtrans-11829.7174.8-55.30000112T484 T485 G489 V491 I595 Q599 V600 F643T484-V487 HydrophobicContact CG2-CG2 4.32Å; T484-V487 CarbonylContact O-C 3.57Å; T484-V487 WeakPolarHBondContact O-CG2 3.4Å; T484-V487 PolarHBondContact O-N 3.24Å; T484-V487 VanDerWaalsContact O-N 3.15Å; T484-V487 WeakPolarHBondContact OG1-CG2 3.3Å; T484-V487 PolarHBondContact OG1-N 2.88Å; T485-V487 PolarHBondContact O-N 2.81Å; T485-V487 VanDerWaalsContact O-N 3.13Å; V487-G489 VanDerWaalsContact C-N 3.28Å; V487-G489 PolarHBondContact O-N 3.31Å; V487-V491 HydrophobicContact CB-CG1 3.72Å; V487-V491 HydrophobicContact CG1-CG1 4.43Å; V487-V491 HydrophobicContact CG2-CG1 3.6Å; V487-V491 HydrophobicContact CG2-CG2 4.23Å; V487-I595 HydrophobicContact CG1-CD1 4.09Å; V487-I595 HydrophobicContact CG1-CG2 4.2Å; V487-Q599 WeakPolarHBondContact CA-O 3.48Å; V487-Q599 HydrophobicContact CB-CG 4.05Å; V487-Q599 WeakPolarHBondContact O-CG 3.4Å; V487-Q599 PolarHBondContact O-NE2 3.45Å; V487-V600 HydrophobicContact CG1-CG2 4.47Å; V487-F643 HydrophobicContact CG1-CD1 3.79Å; V487-F643 HydrophobicContact CG1-CE1 4.14Å
488A94Very high93.4Very high0 Ų011.7 Ų11.70%06%0.061CC..THydrogen-bonded Turntrans53.340.117800000114.2L324 Q328 L329 T485L324-A488 HydrophobicContact CD1-CB 4.45Å; L324-A488 HydrophobicContact CD2-CB 4.07Å; Q328-A488 HydrophobicContact CB-CB 3.87Å; L329-A488 HydrophobicContact CD2-CB 4.13Å; T485-A488 PolarHBondContact O-N 3.02Å
489G92.8Very high93.4Very high3 Ų314.4 Ų14.43%0.0317%0.074CC..SBendtrans111-98.9176.500000112G483 T484 V487G483-G489 CarbonylContact C-O 3.53Å; G483-G489 WeakPolarHBondContact CA-O 3.49Å; T484-G489 PolarHBondContact N-O 3.03Å; T484-G489 PolarHBondContact O-N 3.3Å; V487-G489 VanDerWaalsContact C-N 3.28Å; V487-G489 PolarHBondContact O-N 3.31Å
490D94.2Very high93.4Very high2 Ų221 Ų211%0.01111%0.107CC..  trans-125.6146.6-173.3-44.6-81.6000111.3R332 W335 S455 L481 Y482R332-D490 WeakPolarHBondContact CD-O 3.19Å; R332-D490 IonicContact CZ-OD2 3.02Å; R332-D490 VanDerWaalsContact CZ-OD2 3.32Å; R332-D490 IonicContact NE-OD2 3.65Å; R332-D490 PolarHBondContact NE-OD2 3.44Å; R332-D490 IonicContact NH2-OD2 3.07Å; R332-D490 PolarHBondContact NH2-OD2 2.98Å; W335-D490 HydrophobicContact CZ3-CB 4.2Å; S455-D490 PolarHBondContact OG-OD1 3.16Å; L481-D490 HydrophobicContact CB-CB 3.95Å; L481-D490 WeakPolarHBondContact CB-OD1 3.28Å; L481-D490 HydrophobicContact CD1-CB 4.23Å; L481-D490 WeakPolarHBondContact CD1-OD2 3.04Å; Y482-D490 CarbonylContact O-C 3.58Å; Y482-D490 WeakPolarHBondContact O-CA 3.31Å
491V94.3Very high93.4Very high0 Ų023 Ų230%012%0.118CC..SBendtrans-122.1-13.5178.2-74.50000112.9Y482 V487 V530 I531 T534 I536 I595 Q599Y482-V491 HydrophobicContact CD1-CG2 4.03Å; Y482-V491 HydrophobicContact CE1-CG2 4.11Å; Y482-V491 WeakPolarHBondContact O-CG2 3.17Å; Y482-V491 PolarHBondContact O-N 3.41Å; V487-V491 HydrophobicContact CB-CG1 3.72Å; V487-V491 HydrophobicContact CG1-CG1 4.43Å; V487-V491 HydrophobicContact CG2-CG1 3.6Å; V487-V491 HydrophobicContact CG2-CG2 4.23Å; V491-V530 CarbonylContact O-C 3.51Å; V491-V530 WeakPolarHBondContact O-CA 3.39Å; V491-I531 HydrophobicContact CB-CG2 4.19Å; V491-I531 HydrophobicContact CG1-CG2 4.29Å; V491-I531 WeakPolarHBondContact O-CG2 3.31Å; V491-I531 PolarHBondContact O-N 3.18Å; V491-T534 HydrophobicContact CB-CG2 4.21Å; V491-T534 HydrophobicContact CG1-CG2 4.01Å; V491-I536 HydrophobicContact CG2-CD1 4.2Å; V491-I595 HydrophobicContact CG2-CD1 4.09Å; V491-Q599 HydrophobicContact CG1-CB 4.21Å; V491-Q599 HydrophobicContact CG1-CG 3.76Å
492T95.1Very high93.4Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-136.4157.5171.876.90000111.5W335 L481 Y482 V527 T529 V530 I536 L658W335-T492 VanDerWaalsContact CH2-C 3.48Å; L481-T492 WeakPolarHBondContact CA-O 3.46Å; Y482-T492 WeakPolarHBondContact CB-OG1 3.42Å; Y482-T492 HydrophobicContact CD1-CG2 4.28Å; Y482-T492 PolarHBondContact N-O 3.26Å; Y482-T492 PolarHBondContact O-N 3.19Å; Y482-T492 VanDerWaalsContact O-N 3.16Å; T492-V527 CarbonylContact C-O 3.22Å; T492-V527 VanDerWaalsContact CB-O 3.25Å; T492-V527 WeakPolarHBondContact CB-O 3.43Å; T492-V527 WeakPolarHBondContact OG1-CG2 3.14Å; T492-V527 PolarHBondContact OG1-O 2.96Å; T492-T529 WeakPolarHBondContact CA-O 3.22Å; T492-T529 WeakPolarHBondContact CB-O 3.13Å; T492-V530 HydrophobicContact CG2-CG2 4.13Å; T492-I536 HydrophobicContact CG2-CD1 3.33Å; T492-L658 HydrophobicContact CG2-CD2 3.95Å
493G94.1Very high93.4Very high3 Ų328.6 Ų28.63%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-164.5163.5164.900000115.4M343 N480 V527 G528 T529M343-G493 VanDerWaalsContact CE-CA 3.42Å; N480-G493 CarbonylContact O-C 3.54Å; N480-G493 WeakPolarHBondContact O-CA 3.29Å; G493-V527 CarbonylContact C-O 3.58Å; G493-V527 VanDerWaalsContact C-O 3.29Å; G493-V527 WeakPolarHBondContact CA-O 3.3Å; G493-V527 PolarHBondContact N-O 2.88Å; G493-G528 WeakPolarHBondContact O-CA 3.48Å; G493-T529 PolarHBondContact N-O 3.08Å; G493-T529 VanDerWaalsContact N-O 3.16Å; G493-T529 PolarHBondContact O-N 2.99Å
494L93.8Very high93.5Very high23 Ų2335.4 Ų35.412%0.1217%0.169CC..EExtended strand (participates in β ladder)trans-138.8141.4177.5-172.360.7000111.2I479 N480 F496 H505I479-L494 WeakPolarHBondContact CA-O 3.48Å; N480-L494 PolarHBondContact N-O 2.97Å; N480-L494 PolarHBondContact O-N 3.32Å; L494-F496 HydrophobicContact CB-CE2 4.23Å; L494-F496 HydrophobicContact CB-CZ 4.41Å; L494-F496 HydrophobicContact CD2-CE1 3.98Å; L494-F496 HydrophobicContact CD2-CE2 4.23Å; L494-F496 HydrophobicContact CD2-CZ 3.61Å; L494-F496 HydrophobicContact CG-CE2 4.24Å; L494-F496 HydrophobicContact CG-CZ 4.09Å; L494-H505 HydrophobicContact CD2-CB 3.89Å
495V93.4Very high93.8Very high9 Ų936.2 Ų36.26%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-101.7132.5177.8-175.30000110.9D342 M343 R477 I479D342-V495 HydrophobicContact CB-CB 4.38Å; D342-V495 HydrophobicContact CB-CG2 3.98Å; D342-V495 WeakPolarHBondContact O-CG2 3.45Å; M343-V495 HydrophobicContact SD-CG2 3.66Å; R477-V495 HydrophobicContact CB-CG1 4.2Å; R477-V495 HydrophobicContact CG-CG1 4.42Å; I479-V495 HydrophobicContact CD1-CG2 4.21Å; I479-V495 HydrophobicContact CG1-CG1 4.36Å; I479-V495 HydrophobicContact CG1-CG2 3.98Å; I479-V495 HydrophobicContact CG2-CG2 4.32Å
496F94.1Very high94Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-114.3134.3174.3-57.7-87.7000109.3F468 R477 L478 N480 L494 D501 V502 H505 L525F468-F496 HydrophobicContact CE2-CB 3.91Å; F468-F496 HydrophobicContact CZ-CB 3.87Å; F468-F496 WeakPolarHBondContact CZ-O 3.45Å; R477-F496 WeakPolarHBondContact CA-O 3.43Å; L478-F496 HydrophobicContact CB-CB 4.31Å; L478-F496 PolarHBondContact N-O 3.24Å; L478-F496 WeakPolarHBondContact O-CD2 3.47Å; L478-F496 PolarHBondContact O-N 3.41Å; N480-F496 HydrophobicContact CB-CD2 4.47Å; N480-F496 HydrophobicContact CB-CE2 3.74Å; L494-F496 HydrophobicContact CB-CE2 4.23Å; L494-F496 HydrophobicContact CB-CZ 4.41Å; L494-F496 HydrophobicContact CD2-CE1 3.98Å; L494-F496 HydrophobicContact CD2-CE2 4.23Å; L494-F496 HydrophobicContact CD2-CZ 3.61Å; L494-F496 HydrophobicContact CG-CE2 4.24Å; L494-F496 HydrophobicContact CG-CZ 4.09Å; F496-D501 HydrophobicContact CB-CB 4.38Å; F496-D501 HydrophobicContact CD1-CB 4.01Å; F496-V502 HydrophobicContact CB-CG2 4.2Å; F496-V502 HydrophobicContact CD1-CB 4.36Å; F496-V502 HydrophobicContact CD1-CG2 3.8Å; F496-V502 HydrophobicContact CE1-CG2 4.45Å; F496-V502 HydrophobicContact CG-CG2 4.13Å; F496-H505 HydrophobicContact CE1-CB 3.97Å; F496-H505 HydrophobicContact CZ-CB 4.47Å; F496-L525 HydrophobicContact CE1-CD1 3.79Å; F496-L525 HydrophobicContact CE1-CD2 4.44Å; F496-L525 HydrophobicContact CE1-CG 4.25Å; F496-L525 HydrophobicContact CE2-CD2 3.98Å; F496-L525 HydrophobicContact CE2-CG 4.27Å; F496-L525 HydrophobicContact CZ-CD1 3.69Å; F496-L525 HydrophobicContact CZ-CD2 3.79Å; F496-L525 HydrophobicContact CZ-CG 3.63Å
497R92.7Very high93.9Very high121 Ų12139.3 Ų39.346%0.45719%0.188SC..  trans-109.3-3.3176.4-63.8176.5171.271.60.9113.6D342 D501D342-R497 IonicContact OD1-CZ 2.68Å; D342-R497 IonicContact OD1-NH1 3.25Å; D342-R497 IonicContact OD1-NH2 3.27Å; D342-R497 PolarHBondContact OD1-NH2 3.36Å; D342-R497 IonicContact OD2-CZ 3.94Å; D342-R497 VanDerWaalsContact OD2-CZ 3.31Å; D342-R497 IonicContact OD2-NH1 3.72Å; D342-R497 PolarHBondContact OD2-NH1 2.79Å; D342-R497 IonicContact OD2-NH2 3.65Å; D342-R497 PolarHBondContact OD2-NH2 3.42Å; R497-D501 WeakPolarHBondContact CB-OD2 3.42Å; R497-D501 PolarHBondContact N-OD2 3.21Å
498G93.8Very high93.4Very high17 Ų1744.3 Ų44.318%0.17522%0.218CC..SBendtrans177.1179.4178.400000113.6I500 D501 V502G498-I500 PolarHBondContact O-N 3.34Å; G498-D501 PolarHBondContact O-N 2.95Å; G498-D501 VanDerWaalsContact O-N 3.16Å; G498-V502 PolarHBondContact O-N 3.23Å
499E94.6Very high92.4Very high59 Ų5945 Ų4528%0.27622%0.222SC..Hα-helixtrans-59.6-30.6-179.5-65.6-171.3-131.400113.5C465 F468 Q469 V502 K503C465-E499 HydrophobicContact CB-CG 4.21Å; F468-E499 HydrophobicContact CB-CG 4Å; Q469-E499 WeakPolarHBondContact CG-OE1 3.39Å; Q469-E499 PolarHBondContact NE2-OE1 2.97Å; Q469-E499 PolarHBondContact NE2-OE2 3.39Å; E499-V502 PolarHBondContact O-N 3.01Å; E499-K503 VanDerWaalsContact O-CG 3.3Å; E499-K503 WeakPolarHBondContact O-CG 3.34Å; E499-K503 PolarHBondContact O-N 2.89Å; E499-K503 IonicContact OE2-NZ 3.48Å
500I94.7Very high90.8Very high141 Ų14150 Ų5072%0.72325%0.254SS*.Hα-helixtrans-64.8-45.1178.5-63.7170.9000110G498 V502 K503 K504G498-I500 PolarHBondContact O-N 3.34Å; I500-V502 VanDerWaalsContact C-N 3.34Å; I500-V502 PolarHBondContact O-N 3.27Å; I500-K503 PolarHBondContact O-N 3.05Å; I500-K504 WeakPolarHBondContact O-CB 3.33Å; I500-K504 PolarHBondContact O-N 3.47Å
501D93.9Very high88.7Confident45 Ų4554.1 Ų54.124%0.24128%0.282CS..Hα-helixtrans-64.2-40.6177.6-65.4-15.8000111.3F496 R497 G498 K504 H505F496-D501 HydrophobicContact CB-CB 4.38Å; F496-D501 HydrophobicContact CD1-CB 4.01Å; R497-D501 WeakPolarHBondContact CB-OD2 3.42Å; R497-D501 PolarHBondContact N-OD2 3.21Å; G498-D501 PolarHBondContact O-N 2.95Å; G498-D501 VanDerWaalsContact O-N 3.16Å; D501-K504 PolarHBondContact O-N 3.45Å; D501-H505 PolarHBondContact O-N 3.38Å; D501-H505 VanDerWaalsContact O-N 3.11Å; D501-H505 PolarHBondContact O-ND1 3.44Å
502V94.3Very high86.2Confident0 Ų057.5 Ų57.50%032%0.317CS..Hα-helixtrans-60.7-48.6177.2175.50000110.3P461 A464 F468 F496 G498 E499 I500 K504 H505 T506 L525P461-V502 HydrophobicContact CB-CG1 4.32Å; A464-V502 HydrophobicContact CB-CG1 3.81Å; A464-V502 HydrophobicContact CB-CG2 3.86Å; F468-V502 HydrophobicContact CD2-CG2 4.03Å; F468-V502 HydrophobicContact CE2-CG2 3.75Å; F496-V502 HydrophobicContact CB-CG2 4.2Å; F496-V502 HydrophobicContact CD1-CB 4.36Å; F496-V502 HydrophobicContact CD1-CG2 3.8Å; F496-V502 HydrophobicContact CE1-CG2 4.45Å; F496-V502 HydrophobicContact CG-CG2 4.13Å; G498-V502 PolarHBondContact O-N 3.23Å; E499-V502 PolarHBondContact O-N 3.01Å; I500-V502 VanDerWaalsContact C-N 3.34Å; I500-V502 PolarHBondContact O-N 3.27Å; V502-K504 PolarHBondContact O-N 3.4Å; V502-H505 CarbonylContact O-C 3.58Å; V502-H505 PolarHBondContact O-N 3.33Å; V502-T506 PolarHBondContact O-N 2.89Å; V502-T506 PolarHBondContact O-OG1 3.22Å; V502-L525 HydrophobicContact CG1-CD1 3.97Å
503K93.8Very high83.3Confident135 Ų13566.1 Ų66.159%0.58736%0.362SS*.Hα-helixtrans-63.2-41.4178.4-71.1171.1-172.6171.30111.7E499 I500 H505 T506E499-K503 VanDerWaalsContact O-CG 3.3Å; E499-K503 WeakPolarHBondContact O-CG 3.34Å; E499-K503 PolarHBondContact O-N 2.89Å; E499-K503 IonicContact OE2-NZ 3.48Å; I500-K503 PolarHBondContact O-N 3.05Å; K503-H505 VanDerWaalsContact C-N 3.31Å; K503-H505 PolarHBondContact O-N 3.48Å; K503-T506 PolarHBondContact O-N 3.41Å
504K95Very high80.4Confident151 Ų15173.9 Ų73.966%0.65740%0.397SS*.Hα-helixtrans-59.9-38.4178.6-178.3-178.8174.8-173.60112.7I500 D501 V502I500-K504 WeakPolarHBondContact O-CB 3.33Å; I500-K504 PolarHBondContact O-N 3.47Å; D501-K504 PolarHBondContact O-N 3.45Å; V502-K504 PolarHBondContact O-N 3.4Å
505H95.6Very high77.5Confident23 Ų2384.6 Ų84.611%0.10644%0.436CS..THydrogen-bonded Turntrans-104.724.8-178.6-5194.4000113.4L494 F496 D501 V502 K503 S526 H657 Y659L494-H505 HydrophobicContact CD2-CB 3.89Å; F496-H505 HydrophobicContact CE1-CB 3.97Å; F496-H505 HydrophobicContact CZ-CB 4.47Å; D501-H505 PolarHBondContact O-N 3.38Å; D501-H505 VanDerWaalsContact O-N 3.11Å; D501-H505 PolarHBondContact O-ND1 3.44Å; V502-H505 CarbonylContact O-C 3.58Å; V502-H505 PolarHBondContact O-N 3.33Å; K503-H505 VanDerWaalsContact C-N 3.31Å; K503-H505 PolarHBondContact O-N 3.48Å; H505-S526 PolarHBondContact O-N 2.76Å; H505-S526 VanDerWaalsContact O-N 3.13Å; H505-H657 AromaticContact CD2-CE1 3.55Å; H505-H657 AromaticContact CD2-ND1 3.5Å; H505-H657 PolarHBondContact CD2-ND1 2.93Å; H505-H657 AromaticContact NE2-CE1 3.69Å; H505-Y659 WeakPolarHBondContact O-CE1 3.43Å; H505-Y659 PolarHBondContact O-OH 3.49Å
506T93.7Very high74.5Confident35 Ų3591.9 Ų91.922%0.21547%0.469CS..EExtended strand (participates in β ladder)trans-98.9133169-65.60000109.4P461 V502 K503 P523 V524P461-T506 HydrophobicContact CB-CG2 3.95Å; P461-T506 WeakPolarHBondContact CB-OG1 3.4Å; P461-T506 HydrophobicContact CG-CG2 3.62Å; V502-T506 PolarHBondContact O-N 2.89Å; V502-T506 PolarHBondContact O-OG1 3.22Å; K503-T506 PolarHBondContact O-N 3.41Å; T506-P523 HydrophobicContact CG2-CB 4.07Å; T506-V524 WeakPolarHBondContact CA-O 3.47Å
507K90Very high71.6Confident59 Ų5999.5 Ų99.526%0.25751%0.51SS..EExtended strand (participates in β ladder)trans-120.8154.3172.2-61.7-69.1-177.8161.20109.7P523 V524 F650 D652 Y659K507-P523 CarbonylContact O-C 3.55Å; K507-P523 WeakPolarHBondContact O-CA 3.45Å; K507-V524 HydrophobicContact CB-CG2 4.17Å; K507-V524 PolarHBondContact N-O 2.66Å; K507-V524 WeakPolarHBondContact O-CG2 3.29Å; K507-V524 PolarHBondContact O-N 3.14Å; K507-F650 HydrophobicContact CB-CZ 4.05Å; K507-F650 HydrophobicContact CG-CZ 4.29Å; K507-D652 WeakPolarHBondContact CE-OD1 3.32Å; K507-D652 IonicContact NZ-OD1 2.63Å; K507-D652 PolarHBondContact NZ-OD1 3.47Å; K507-Y659 HydrophobicContact CB-CD1 4.27Å; K507-Y659 HydrophobicContact CB-CE1 3.94Å; K507-Y659 HydrophobicContact CG-CD1 4.15Å; K507-Y659 HydrophobicContact CG-CE1 3.45Å; K507-Y659 VanDerWaalsContact CG-CE1 3.45Å; K507-Y659 HydrophobicContact CG-CE2 4.16Å; K507-Y659 VanDerWaalsContact CG-CZ 3.47Å
508V83.5Confident68.7Low105 Ų105101.2 Ų101.264%0.63653%0.528SS*.EExtended strand (participates in β ladder)trans-107.9120.6177.8178.70000108.3G521V508-G521 VanDerWaalsContact CG1-CA 3.49Å
509V72.3Confident66.2Low15 Ų15110.1 Ų110.19%0.09156%0.562CS.*EExtended strand (participates in β ladder)trans-104.3134.7-177.5176.20000109.5G521 K522 V524 I590 F650V509-G521 CarbonylContact O-C 3.51Å; V509-G521 WeakPolarHBondContact O-CA 3.35Å; V509-K522 PolarHBondContact N-O 3.17Å; V509-K522 PolarHBondContact O-N 3.34Å; V509-V524 HydrophobicContact CG2-CG1 4.19Å; V509-V524 HydrophobicContact CG2-CG2 3.5Å; V509-V524 VanDerWaalsContact CG2-CG2 3.5Å; V509-I590 HydrophobicContact CG1-CD1 3.42Å; V509-I590 VanDerWaalsContact CG1-CD1 3.42Å; V509-F650 HydrophobicContact CG2-CD1 4.47Å; V509-F650 HydrophobicContact CG2-CE1 3.62Å; V509-F650 HydrophobicContact CG2-CZ 4.32Å
510P60.4Low64.2Low108 Ų108112.4 Ų112.470%0.70159%0.585SS**  trans-61.6137.8173.9-18.330.9000111.4
511C49.6Very low62.5Low87 Ų87107.1 Ų107.159%0.58857%0.565SS**  trans-92.9125.6173.4-83.30000110.5
512G42.9Very low61.4Low71 Ų71109.3 Ų109.373%0.73257%0.573SS**SBendtrans90.3168.5169.700000116E514G512-E514 PolarHBondContact O-N 2.59Å
513L34.1Very low60.7Low181 Ų181111.3 Ų111.395%0.94859%0.586SS**SBendtrans-74.7-3.9173.9-92.3155000113.1R515L513-R515 PolarHBondContact O-N 3.03Å; L513-R515 VanDerWaalsContact O-N 3.14Å
514E32Very low60.3Low166 Ų166104.9 Ų104.978%0.77656%0.558SS**  trans-85.788176.6-66.2-177-175.400109.6G512 E516G512-E514 PolarHBondContact O-N 2.59Å; E514-E516 PolarHBondContact O-N 3.31Å
515R33Very low60.1Low249 Ų24998 Ų9894%0.9453%0.528SS*.  trans-63.84.6171.5-77.7-177.9171.4175.5-1.9114L513L513-R515 PolarHBondContact O-N 3.03Å; L513-R515 VanDerWaalsContact O-N 3.14Å
516E31.1Very low60.1Low161 Ų16196.9 Ų96.975%0.75252%0.523SS*.SBendtrans-141.776.7-172.3-65.2-174.917200110.3E514E514-E516 PolarHBondContact O-N 3.31Å
517N32.5Very low60.2Low160 Ų16095.7 Ų95.786%0.85652%0.516SS*.  trans-177.6124.5134.7-89.1-34.8000111.9
518N32.6Very low60.4Low157 Ų15792.9 Ų92.984%0.8450%0.503SS*.  trans-59.8125.3-177.1-74.7-49.6000113.4
519K40.9Very low60.8Low204 Ų20491.4 Ų91.489%0.88749%0.494SS*.SBend165.45.5112.8-91.2-178.4-176.1177.60119.8
520S51.8Low61.8Low108 Ų10891.8 Ų91.876%0.75550%0.497SS*.  trans-146.490.9166.670.90000114.1
521G60.4Low63.3Low30 Ų3086.8 Ų86.831%0.30946%0.464SS..PPolyproline II helixtrans-6915216500000111.3V508 V509V508-G521 VanDerWaalsContact CG1-CA 3.49Å; V509-G521 CarbonylContact O-C 3.51Å; V509-G521 WeakPolarHBondContact O-CA 3.35Å
522K69.2Low65.1Low90 Ų9089.4 Ų89.439%0.39147%0.468SS..EExtended strand (participates in β ladder)trans-80.3122.8179-177.9-179177.9-1710109.9V509 C661V509-K522 PolarHBondContact N-O 3.17Å; V509-K522 PolarHBondContact O-N 3.34Å; K522-C661 PolarHBondContact NZ-O 3.15Å
523P79.7Confident67.2Low42 Ų4286.4 Ų86.427%0.27344%0.437SS..EExtended strand (participates in β ladder)trans-74130.6175.632.6-35.3000110P461 T506 K507P461-P523 HydrophobicContact CG-CB 4.1Å; T506-P523 HydrophobicContact CG2-CB 4.07Å; K507-P523 CarbonylContact O-C 3.55Å; K507-P523 WeakPolarHBondContact O-CA 3.45Å
524V86.1Confident70Confident1 Ų177.8 Ų77.81%0.00639%0.392CS..EExtended strand (participates in β ladder)trans-122.1138.7177.5-670000109.9T506 K507 V509 F650 Y659T506-V524 WeakPolarHBondContact CA-O 3.47Å; K507-V524 HydrophobicContact CB-CG2 4.17Å; K507-V524 PolarHBondContact N-O 2.66Å; K507-V524 WeakPolarHBondContact O-CG2 3.29Å; K507-V524 PolarHBondContact O-N 3.14Å; V509-V524 HydrophobicContact CG2-CG1 4.19Å; V509-V524 HydrophobicContact CG2-CG2 3.5Å; V509-V524 VanDerWaalsContact CG2-CG2 3.5Å; V524-F650 HydrophobicContact CG2-CE1 4.17Å; V524-F650 HydrophobicContact CG2-CZ 4.44Å; V524-Y659 HydrophobicContact CB-CD1 4.5Å; V524-Y659 HydrophobicContact CG2-CD1 3.84Å
525L91.3Very high72.9Confident6 Ų669.9 Ų69.93%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-97.2139.3177.7-164.563.8000109.9V459 P461 A464 F496 V502V459-L525 HydrophobicContact CB-CD2 4.18Å; V459-L525 HydrophobicContact CG1-CD2 3.92Å; P461-L525 HydrophobicContact CG-CB 4.08Å; P461-L525 HydrophobicContact CG-CD1 4.39Å; A464-L525 HydrophobicContact CB-CD2 4.11Å; F496-L525 HydrophobicContact CE1-CD1 3.79Å; F496-L525 HydrophobicContact CE1-CD2 4.44Å; F496-L525 HydrophobicContact CE1-CG 4.25Å; F496-L525 HydrophobicContact CE2-CD2 3.98Å; F496-L525 HydrophobicContact CE2-CG 4.27Å; F496-L525 HydrophobicContact CZ-CD1 3.69Å; F496-L525 HydrophobicContact CZ-CD2 3.79Å; F496-L525 HydrophobicContact CZ-CG 3.63Å; V502-L525 HydrophobicContact CG1-CD1 3.97Å
526S95.8Very high75.9Confident0 Ų058 Ų580%031%0.31CS..EExtended strand (participates in β ladder)trans-59.8143.2175.8177.20000112.4N480 H505 G528 H657N480-S526 PolarHBondContact ND2-O 3.01Å; H505-S526 PolarHBondContact O-N 2.76Å; H505-S526 VanDerWaalsContact O-N 3.13Å; S526-G528 PolarHBondContact OG-N 3.09Å; S526-H657 WeakPolarHBondContact OG-CB 3.43Å; S526-H657 PolarHBondContact OG-ND1 2.9Å
527V94.6Very high78.9Confident10 Ų1050.4 Ų50.46%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-104.79.7167-60.80000112.1Y482 T492 G493 L658 I660Y482-V527 HydrophobicContact CG-CG2 4.25Å; T492-V527 CarbonylContact C-O 3.22Å; T492-V527 VanDerWaalsContact CB-O 3.25Å; T492-V527 WeakPolarHBondContact CB-O 3.43Å; T492-V527 WeakPolarHBondContact OG1-CG2 3.14Å; T492-V527 PolarHBondContact OG1-O 2.96Å; G493-V527 CarbonylContact C-O 3.58Å; G493-V527 VanDerWaalsContact C-O 3.29Å; G493-V527 WeakPolarHBondContact CA-O 3.3Å; G493-V527 PolarHBondContact N-O 2.88Å; V527-L658 HydrophobicContact CG2-CB 3.82Å; V527-L658 HydrophobicContact CG2-CD2 3.82Å; V527-L658 HydrophobicContact CG2-CG 3.72Å; V527-L658 VanDerWaalsContact CG2-O 3.3Å; V527-L658 WeakPolarHBondContact CG2-O 3.46Å; V527-L658 PolarHBondContact N-O 3.1Å; V527-I660 HydrophobicContact CG1-CG1 4.21Å; V527-I660 HydrophobicContact CG2-CG1 3.94Å
528G94Very high81.8Confident0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans78.7-145.4164.600000116G493 S526 L658G493-G528 WeakPolarHBondContact O-CA 3.48Å; S526-G528 PolarHBondContact OG-N 3.09Å; G528-L658 PolarHBondContact O-N 2.87Å
529T92.5Very high84.6Confident73 Ų7335.3 Ų35.345%0.44819%0.194SC..EExtended strand (participates in β ladder)trans-102.5160.6-171.4540000111.6T492 G493T492-T529 WeakPolarHBondContact CA-O 3.22Å; T492-T529 WeakPolarHBondContact CB-O 3.13Å; G493-T529 PolarHBondContact N-O 3.08Å; G493-T529 VanDerWaalsContact N-O 3.16Å; G493-T529 PolarHBondContact O-N 2.99Å
530V93.3Very high86.7Confident24 Ų2430.7 Ų30.715%0.14518%0.176CC..EExtended strand (participates in β ladder)trans-84.1143.8-174.7-164.30000111.6V491 T492 T534 I536 I568V491-V530 CarbonylContact O-C 3.51Å; V491-V530 WeakPolarHBondContact O-CA 3.39Å; T492-V530 HydrophobicContact CG2-CG2 4.13Å; V530-T534 HydrophobicContact CG1-CG2 3.82Å; V530-T534 VanDerWaalsContact CG1-O 3.3Å; V530-T534 WeakPolarHBondContact CG1-O 3.47Å; V530-I536 HydrophobicContact CG1-CD1 4.3Å; V530-I536 HydrophobicContact CG1-CG1 4.21Å; V530-I536 HydrophobicContact CG2-CB 4.31Å; V530-I536 HydrophobicContact CG2-CD1 3.95Å; V530-I536 HydrophobicContact CG2-CG1 4.04Å; V530-I568 HydrophobicContact CG2-CB 4.17Å; V530-I568 HydrophobicContact CG2-CD1 3.56Å; V530-I568 HydrophobicContact CG2-CG1 3.57Å
531I91.1Very high87.7Confident2 Ų228.8 Ų28.81%0.0116%0.157CC..PPolyproline II helixtrans-61.8151.7167.8-172.1168.5000112.1N331 W335 V491 T534N331-I531 WeakPolarHBondContact O-CD1 3.35Å; W335-I531 HydrophobicContact CB-CD1 3.21Å; W335-I531 HydrophobicContact CB-CG1 3.5Å; W335-I531 HydrophobicContact CD2-CB 4.16Å; W335-I531 HydrophobicContact CD2-CD1 3.86Å; W335-I531 HydrophobicContact CD2-CG1 4Å; W335-I531 HydrophobicContact CE3-CD1 4.09Å; W335-I531 HydrophobicContact CG-CB 4.07Å; W335-I531 HydrophobicContact CG-CD1 3.52Å; W335-I531 HydrophobicContact CG-CG1 3.47Å; W335-I531 VanDerWaalsContact CG-CG1 3.47Å; V491-I531 HydrophobicContact CB-CG2 4.19Å; V491-I531 HydrophobicContact CG1-CG2 4.29Å; V491-I531 WeakPolarHBondContact O-CG2 3.31Å; V491-I531 PolarHBondContact O-N 3.18Å; I531-T534 HydrophobicContact CG2-CG2 4.45Å; I531-T534 WeakPolarHBondContact CG2-OG1 3.17Å; I531-T534 PolarHBondContact O-N 3.32Å
532Q87.5Confident87.8Confident143 Ų14332.4 Ų32.467%0.66817%0.169SC*.THydrogen-bonded Turntrans-59.1148174.6-168.7169.2-500112.1N331 T534N331-Q532 PolarHBondContact ND2-O 3.31Å; Q532-T534 PolarHBondContact O-N 3.03Å
533G88.3Confident86.6Confident8 Ų835.2 Ų35.28%0.08219%0.188CC..THydrogen-bonded Turntrans739.3-17900000114.3S570 G597 Q598G533-S570 CarbonylContact C-O 3.54Å; G533-S570 VanDerWaalsContact CA-O 3.29Å; G533-S570 WeakPolarHBondContact CA-O 3.07Å; G533-S570 PolarHBondContact N-O 3.46Å; G533-G597 WeakPolarHBondContact O-CA 3.41Å; G533-Q598 PolarHBondContact O-N 2.95Å; G533-Q598 VanDerWaalsContact O-N 3.09Å
534T92.1Very high84.5Confident0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-130.6142.9176.9-550000110.7V491 V530 I531 Q532 G569 S570 I595 L596 Q599V491-T534 HydrophobicContact CB-CG2 4.21Å; V491-T534 HydrophobicContact CG1-CG2 4.01Å; V530-T534 HydrophobicContact CG1-CG2 3.82Å; V530-T534 VanDerWaalsContact CG1-O 3.3Å; V530-T534 WeakPolarHBondContact CG1-O 3.47Å; I531-T534 HydrophobicContact CG2-CG2 4.45Å; I531-T534 WeakPolarHBondContact CG2-OG1 3.17Å; I531-T534 PolarHBondContact O-N 3.32Å; Q532-T534 PolarHBondContact O-N 3.03Å; T534-G569 CarbonylContact O-C 3.55Å; T534-G569 WeakPolarHBondContact O-CA 3.33Å; T534-S570 CarbonylContact C-O 3.5Å; T534-S570 PolarHBondContact N-O 3.29Å; T534-S570 PolarHBondContact O-N 2.99Å; T534-I595 HydrophobicContact CG2-CG2 3.72Å; T534-L596 CarbonylContact C-O 3.59Å; T534-L596 WeakPolarHBondContact CA-O 3.22Å; T534-Q599 WeakPolarHBondContact OG1-CB 3.22Å
535A94Very high82.4Confident0 Ų047.1 Ų47.10%024%0.243CC..EExtended strand (participates in β ladder)trans-125.5149.917100000110.8F537 W560 I568 V571 L596A535-F537 HydrophobicContact CB-CE2 4.16Å; A535-F537 HydrophobicContact CB-CZ 4.09Å; A535-W560 HydrophobicContact CB-CH2 3.67Å; A535-W560 HydrophobicContact CB-CZ2 4.14Å; A535-I568 CarbonylContact C-O 3.53Å; A535-I568 VanDerWaalsContact CA-O 3.27Å; A535-I568 WeakPolarHBondContact CA-O 3.48Å; A535-V571 HydrophobicContact CB-CG1 3.81Å; A535-L596 PolarHBondContact N-O 2.86Å; A535-L596 PolarHBondContact O-N 3.01Å
536I95.2Very high79.6Confident0 Ų055 Ų550%028%0.279CS..EExtended strand (participates in β ladder)trans-126136.4177.1-62-178000109.6V491 T492 V530 I568 V593 C594 I595 L658V491-I536 HydrophobicContact CG2-CD1 4.2Å; T492-I536 HydrophobicContact CG2-CD1 3.33Å; V530-I536 HydrophobicContact CG1-CD1 4.3Å; V530-I536 HydrophobicContact CG1-CG1 4.21Å; V530-I536 HydrophobicContact CG2-CB 4.31Å; V530-I536 HydrophobicContact CG2-CD1 3.95Å; V530-I536 HydrophobicContact CG2-CG1 4.04Å; I536-I568 HydrophobicContact CB-CD1 4.37Å; I536-I568 HydrophobicContact CB-CG1 3.98Å; I536-I568 PolarHBondContact N-O 3.44Å; I536-I568 PolarHBondContact O-N 3.07Å; I536-I568 VanDerWaalsContact O-N 3.1Å; I536-V593 HydrophobicContact CG2-CG1 3.88Å; I536-C594 CarbonylContact C-O 3.59Å; I536-C594 WeakPolarHBondContact CA-O 3.41Å; I536-I595 HydrophobicContact CG1-CG1 4.35Å; I536-L658 HydrophobicContact CD1-CD2 3.78Å; I536-L658 HydrophobicContact CG2-CD1 4.4Å; I536-L658 HydrophobicContact CG2-CD2 4.27Å
537F93.4Very high76.4Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-121.1149176.1-48.6-88.5000110.5A535 V539 W560 S566 I567 W577 I584 C594 L596A535-F537 HydrophobicContact CB-CE2 4.16Å; A535-F537 HydrophobicContact CB-CZ 4.09Å; F537-V539 HydrophobicContact CB-CG1 3.86Å; F537-W560 HydrophobicContact CE1-CZ3 4.28Å; F537-W560 HydrophobicContact CZ-CH2 4.07Å; F537-W560 AromaticContact CZ-CZ3 3.86Å; F537-W560 HydrophobicContact CZ-CZ3 3.86Å; F537-S566 VanDerWaalsContact CA-O 3.32Å; F537-S566 WeakPolarHBondContact CA-O 3.45Å; F537-I567 HydrophobicContact CD1-CB 4.27Å; F537-I567 HydrophobicContact CD1-CD1 4.26Å; F537-I567 HydrophobicContact CD1-CG1 3.84Å; F537-I567 HydrophobicContact CD1-CG2 3.97Å; F537-I567 HydrophobicContact CE1-CB 4.27Å; F537-I567 HydrophobicContact CE1-CD1 4.11Å; F537-I567 HydrophobicContact CE1-CG1 4.04Å; F537-I567 HydrophobicContact CE1-CG2 3.51Å; F537-I567 HydrophobicContact CZ-CG2 4.39Å; F537-W577 AromaticContact CE1-CH2 3.82Å; F537-W577 HydrophobicContact CE1-CH2 3.82Å; F537-W577 HydrophobicContact CE1-CZ3 4.43Å; F537-W577 HydrophobicContact CZ-CH2 4.37Å; F537-I584 HydrophobicContact CD1-CD1 4.2Å; F537-C594 HydrophobicContact CB-CB 4.19Å; F537-C594 PolarHBondContact N-O 3.43Å; F537-C594 PolarHBondContact O-N 3.34Å; F537-L596 HydrophobicContact CD2-CB 4.42Å; F537-L596 HydrophobicContact CE2-CB 3.64Å; F537-L596 HydrophobicContact CE2-CD1 3.85Å; F537-L596 HydrophobicContact CE2-CG 4.29Å; F537-L596 HydrophobicContact CZ-CD1 4.25Å
538I94Very high73.6Confident0 Ų069.6 Ų69.60%035%0.35CS..EExtended strand (participates in β ladder)trans-105.4119.8164-48.5-61.1000108.4S566 L585 G591 H592 V593 G649 I651 L658I538-S566 VanDerWaalsContact CB-OG 3.29Å; I538-S566 WeakPolarHBondContact CB-OG 3.02Å; I538-S566 PolarHBondContact N-O 2.75Å; I538-S566 PolarHBondContact N-OG 3.04Å; I538-S566 PolarHBondContact O-OG 3.42Å; I538-L585 HydrophobicContact CG2-CD1 4.26Å; I538-L585 PolarHBondContact O-N 2.81Å; I538-G591 VanDerWaalsContact CG2-CA 3.46Å; I538-G591 VanDerWaalsContact CG2-N 3.29Å; I538-H592 WeakPolarHBondContact CA-O 3.34Å; I538-V593 HydrophobicContact CD1-CG2 4.05Å; I538-G649 WeakPolarHBondContact CG2-O 3.18Å; I538-I651 HydrophobicContact CD1-CD1 4.46Å; I538-I651 HydrophobicContact CD1-CG1 4.31Å; I538-I651 HydrophobicContact CG1-CD1 3.91Å; I538-I651 HydrophobicContact CG1-CG1 3.91Å; I538-L658 HydrophobicContact CD1-CD1 3.9Å
539V91.3Very high70.9Confident0 Ų078.6 Ų78.60%039%0.392CS..EExtended strand (participates in β ladder)trans-128165-170.8-560000112.8F537 F580 F582 K583 I584 H592 C594 M644F537-V539 HydrophobicContact CB-CG1 3.86Å; V539-F580 HydrophobicContact CG1-CE1 4.24Å; V539-F582 HydrophobicContact CB-CB 3.77Å; V539-F582 HydrophobicContact CB-CG 4.48Å; V539-F582 HydrophobicContact CG1-CB 4.05Å; V539-F582 HydrophobicContact CG2-CB 4Å; V539-F582 HydrophobicContact CG2-CG 4.18Å; V539-K583 CarbonylContact C-O 3.39Å; V539-K583 WeakPolarHBondContact CA-O 3.41Å; V539-K583 WeakPolarHBondContact CB-O 3.4Å; V539-I584 HydrophobicContact CG1-CG1 4.44Å; V539-H592 HydrophobicContact CG2-CB 4.01Å; V539-H592 PolarHBondContact N-O 3.2Å; V539-H592 PolarHBondContact O-N 3.18Å; V539-C594 HydrophobicContact CG1-CB 4.22Å; V539-C594 HydrophobicContact CG2-CB 3.97Å; V539-M644 HydrophobicContact CG2-CE 3.84Å
540Q85.8Confident68.3Low108 Ų10883.2 Ų83.251%0.50541%0.408SS..EExtended strand (participates in β ladder)trans-127.2144.5169.5-173.5175.8-14.700109.1K583 L585Q540-K583 PolarHBondContact N-O 3.38Å; Q540-K583 PolarHBondContact O-N 2.98Å; Q540-L585 HydrophobicContact CB-CD1 4.34Å; Q540-L585 HydrophobicContact CB-CD2 4.13Å; Q540-L585 HydrophobicContact CB-CG 4.32Å
541D71.8Confident65.6Low67 Ų6791.5 Ų91.536%0.35844%0.443SS..EExtended strand (participates in β ladder)trans-65.1131.5171.3-76.4-31.8000109.2D543D541-D543 VanDerWaalsContact C-N 3.3Å; D541-D543 PolarHBondContact O-N 3.27Å
542D62.1Low63.3Low107 Ų10795.8 Ų95.857%0.57247%0.466SS*.  trans-8081.2174.7-117.7-9.7000108D544D542-D544 PolarHBondContact O-N 2.97Å; D542-D544 VanDerWaalsContact O-N 3.16Å
543D45.1Very low61Low149 Ų14995.5 Ų95.580%0.79747%0.469SS*.  trans-73.55.2179.9-81.8-31.3000113.6D541D541-D543 VanDerWaalsContact C-N 3.3Å; D541-D543 PolarHBondContact O-N 3.27Å
544D35.9Very low58.9Low100 Ų100104.7 Ų104.754%0.53551%0.509SS..  trans-118.894.6177.6-76.3-43.3000111.7D542 H546 L547D542-D544 PolarHBondContact O-N 2.97Å; D542-D544 VanDerWaalsContact O-N 3.16Å; D544-H546 PolarHBondContact O-N 3.33Å; D544-L547 HydrophobicContact CB-CD1 4.4Å
545H40.5Very low56.8Low193 Ų193112.3 Ų112.389%0.89455%0.55SS*.THydrogen-bonded Turntrans-6316.6157.7-85.9-55.1000113.4
546H32.7Very low54.7Low171 Ų171117.5 Ų117.579%0.79257%0.574SS**THydrogen-bonded Turntrans-130.312.6-172.3-78.6-42.8000116.5D544D544-H546 PolarHBondContact O-N 3.33Å
547L30Very low52.8Low138 Ų138121.1 Ų121.172%0.72360%0.598SS**SBendtrans-109.5117.3165.9-80.6154000109.7D544 H549D544-L547 HydrophobicContact CB-CD1 4.4Å; L547-H549 PolarHBondContact O-N 2.61Å
548H35.2Very low51.7Low178 Ų178123.9 Ų123.982%0.82461%0.612SS**  trans-35.7131.7173.3-73.7-82.6000111.5E550H548-E550 PolarHBondContact O-N 2.98Å
549H37.9Very low50.7Low189 Ų189127.2 Ų127.288%0.87563%0.627SS**  trans-52.991150.1-80.2-72.2000106.7L547 K551L547-H549 PolarHBondContact O-N 2.61Å; H549-K551 VanDerWaalsContact C-N 3.33Å; H549-K551 PolarHBondContact O-N 3.4Å
550E36Very low50.2Low170 Ų170129.7 Ų129.779%0.79464%0.636SS**  trans-54.1112151.7-82.1-170.9154.700104H548 D552H548-E550 PolarHBondContact O-N 2.98Å; E550-D552 VanDerWaalsContact C-N 3.26Å; E550-D552 PolarHBondContact O-N 2.89Å
551K38.5Very low49.7Very low199 Ų199128 Ų12887%0.86564%0.637SS**  trans-54.3101.9168.1-78.7-178172.6-176.30105.6H549 N553H549-K551 VanDerWaalsContact C-N 3.33Å; H549-K551 PolarHBondContact O-N 3.4Å; K551-N553 PolarHBondContact O-N 3.43Å
552D41.3Very low50.3Low92 Ų92126.9 Ų126.949%0.49263%0.631SS.*  trans-50.7116.7169.7-84.1-40.9000106.3E550 E554 Q556E550-D552 VanDerWaalsContact C-N 3.26Å; E550-D552 PolarHBondContact O-N 2.89Å; D552-E554 PolarHBondContact O-N 3.19Å; D552-Q556 PolarHBondContact OD1-NE2 3.41Å
553N39.5Very low51.2Low137 Ų137126.6 Ų126.673%0.73364%0.635SS**  trans-48.3135.3176.2-83.5-47000109.2K551 N555 Q556K551-N553 PolarHBondContact O-N 3.43Å; N553-N555 PolarHBondContact O-N 2.9Å; N553-Q556 PolarHBondContact O-N 2.71Å; N553-Q556 VanDerWaalsContact O-N 3.09Å
554E45.4Very low53.2Low200 Ų200122.6 Ų122.694%0.93562%0.618SS**THydrogen-bonded Turntrans-56.13.5-178.9-72.8179.215600115.4D552D552-E554 PolarHBondContact O-N 3.19Å
555N47.7Very low55.8Low160 Ų160119.1 Ų119.186%0.85660%0.6SS**THydrogen-bonded Turntrans-112.710.4178.6-81-20.9000114.5N553N553-N555 PolarHBondContact O-N 2.9Å
556Q50Low58.3Low109 Ų109110 Ų11051%0.50956%0.557SS.*SBendtrans-72.5133.1169.1-80.3-164.219.200110.6D552 N553 D558D552-Q556 PolarHBondContact OD1-NE2 3.41Å; N553-Q556 PolarHBondContact O-N 2.71Å; N553-Q556 VanDerWaalsContact O-N 3.09Å; Q556-D558 PolarHBondContact O-N 3.31Å
557P55Low61.1Low77 Ų77102.7 Ų102.750%0.552%0.524SS..  trans-57.7141.7171.324.7-31.9000109.4K559P557-K559 PolarHBondContact O-N 3.1Å
558D70.9Confident64.2Low57 Ų5796.8 Ų96.831%0.30549%0.493SS..  trans-37.7128.6172.3172.110.8000109.3Q556 W560 S561 N562 K574 W577Q556-D558 PolarHBondContact O-N 3.31Å; D558-W560 PolarHBondContact O-N 2.83Å; D558-W560 PolarHBondContact OD1-N 3.29Å; D558-S561 WeakPolarHBondContact O-CA 3.08Å; D558-S561 PolarHBondContact O-N 3.48Å; D558-S561 PolarHBondContact O-OG 3.23Å; D558-N562 PolarHBondContact O-N 3.33Å; D558-K574 IonicContact OD2-NZ 3.7Å; D558-K574 PolarHBondContact OD2-NZ 3.05Å; D558-W577 PolarHBondContact OD1-NE1 3.46Å
559K72.7Confident66.8Low71 Ų7190 Ų9031%0.30947%0.471SS..G310 helixtrans-50.2-32.4-176.8-73.2177.4179.6170.80111.2P557 S561 N562 L565 I567 W577P557-K559 PolarHBondContact O-N 3.1Å; K559-S561 VanDerWaalsContact C-N 3.33Å; K559-S561 PolarHBondContact O-N 3.42Å; K559-N562 PolarHBondContact O-N 2.96Å; K559-L565 HydrophobicContact CB-CD1 4Å; K559-L565 HydrophobicContact CG-CD1 4.17Å; K559-I567 VanDerWaalsContact O-CD1 3.28Å; K559-I567 WeakPolarHBondContact O-CD1 3.38Å; K559-W577 HydrophobicContact CB-CD2 4.09Å; K559-W577 HydrophobicContact CB-CG 4.48Å; K559-W577 HydrophobicContact CB-CH2 4.44Å; K559-W577 HydrophobicContact CB-CZ2 3.82Å; K559-W577 HydrophobicContact CD-CB 4.3Å; K559-W577 HydrophobicContact CD-CD2 3.9Å; K559-W577 HydrophobicContact CD-CE3 4.14Å; K559-W577 HydrophobicContact CD-CG 3.99Å; K559-W577 HydrophobicContact CG-CD2 4.49Å
560W79.2Confident69.2Low51 Ų5184 Ų8419%0.19345%0.45CS..G310 helixtrans-60.4-35.8174.7-154.6-73.6000114.4A535 F537 D558 V571 K574 P575 W577A535-W560 HydrophobicContact CB-CH2 3.67Å; A535-W560 HydrophobicContact CB-CZ2 4.14Å; F537-W560 HydrophobicContact CE1-CZ3 4.28Å; F537-W560 HydrophobicContact CZ-CH2 4.07Å; F537-W560 AromaticContact CZ-CZ3 3.86Å; F537-W560 HydrophobicContact CZ-CZ3 3.86Å; D558-W560 PolarHBondContact O-N 2.83Å; D558-W560 PolarHBondContact OD1-N 3.29Å; W560-V571 HydrophobicContact CH2-CG2 3.36Å; W560-V571 HydrophobicContact CZ2-CG2 3.97Å; W560-V571 HydrophobicContact CZ3-CG2 4Å; W560-K574 HydrophobicContact CB-CD 4.33Å; W560-K574 HydrophobicContact CD2-CD 4.28Å; W560-K574 HydrophobicContact CD2-CG 4.2Å; W560-K574 HydrophobicContact CE3-CB 4.42Å; W560-K574 HydrophobicContact CE3-CD 4.29Å; W560-K574 HydrophobicContact CE3-CG 3.91Å; W560-K574 HydrophobicContact CG-CD 4.27Å; W560-K574 HydrophobicContact CZ3-CG 4.37Å; W560-P575 HydrophobicContact CZ3-CG 4.5Å; W560-W577 HydrophobicContact CB-CZ2 4.4Å; W560-W577 HydrophobicContact CE3-CH2 4.24Å; W560-W577 AromaticContact CE3-CZ2 3.83Å; W560-W577 HydrophobicContact CE3-CZ2 3.83Å
561S76.2Confident71.6Confident73 Ų7376.9 Ų76.951%0.5142%0.419SS..G310 helixtrans-89.2-2.9-179.554.70000113.6D558 K559 P563D558-S561 WeakPolarHBondContact O-CA 3.08Å; D558-S561 PolarHBondContact O-N 3.48Å; D558-S561 PolarHBondContact O-OG 3.23Å; K559-S561 VanDerWaalsContact C-N 3.33Å; K559-S561 PolarHBondContact O-N 3.42Å; S561-P563 WeakPolarHBondContact O-CD 3.34Å
562N83.3Confident73.6Confident43 Ų4374.6 Ų74.623%0.2342%0.416CS..  trans-79.7107.8175.2-173.7-18.3000111.2D558 K559 S564 L565D558-N562 PolarHBondContact O-N 3.33Å; K559-N562 PolarHBondContact O-N 2.96Å; N562-S564 PolarHBondContact O-N 2.94Å; N562-S564 VanDerWaalsContact O-N 3.17Å; N562-S564 WeakPolarHBondContact OD1-CB 3.28Å; N562-S564 PolarHBondContact OD1-N 2.91Å; N562-S564 PolarHBondContact OD1-OG 3.46Å; N562-L565 HydrophobicContact CB-CD1 4.05Å; N562-L565 HydrophobicContact CB-CG 4.15Å; N562-L565 PolarHBondContact O-N 3.11Å
563P82.8Confident75.4Confident102 Ų10274 Ų7466%0.66241%0.407SS*.THydrogen-bonded Turntrans-70.8-14.8-174.731.1-36.6000113.6S561 K587S561-P563 WeakPolarHBondContact O-CD 3.34Å; P563-K587 WeakPolarHBondContact O-CD 3.34Å; P563-K587 VanDerWaalsContact O-CE 3.26Å; P563-K587 WeakPolarHBondContact O-CE 3.43Å; P563-K587 PolarHBondContact O-NZ 3.07Å
564S86.4Confident77.4Confident64 Ų6471.4 Ų71.445%0.44839%0.389SS..THydrogen-bonded Turntrans-79.2-24178.4720000112.9N562 P586 K587N562-S564 PolarHBondContact O-N 2.94Å; N562-S564 VanDerWaalsContact O-N 3.17Å; N562-S564 WeakPolarHBondContact OD1-CB 3.28Å; N562-S564 PolarHBondContact OD1-N 2.91Å; N562-S564 PolarHBondContact OD1-OG 3.46Å; S564-P586 CarbonylContact O-C 3.57Å; S564-P586 VanDerWaalsContact O-CA 3.29Å; S564-P586 WeakPolarHBondContact O-CA 3.47Å; S564-K587 PolarHBondContact O-N 3.06Å
565L90.5Very high79.1Confident28 Ų2861.9 Ų61.915%0.14734%0.344CS..BIsolated β-bridgetrans-76.9147.5177.5-67.4-179.7000110.9K559 N562 I567 I584 K587K559-L565 HydrophobicContact CB-CD1 4Å; K559-L565 HydrophobicContact CG-CD1 4.17Å; N562-L565 HydrophobicContact CB-CD1 4.05Å; N562-L565 HydrophobicContact CB-CG 4.15Å; N562-L565 PolarHBondContact O-N 3.11Å; L565-I567 HydrophobicContact CB-CD1 4.17Å; L565-I567 HydrophobicContact CB-CG1 3.98Å; L565-I567 HydrophobicContact CD1-CD1 4.45Å; L565-I567 PolarHBondContact O-N 3.21Å; L565-I584 HydrophobicContact CB-CG2 4.1Å; L565-I584 HydrophobicContact CD2-CG2 4.31Å; L565-K587 WeakPolarHBondContact O-CE 3.29Å
566S92.7Very high80.7Confident0 Ų055.6 Ų55.60%031%0.311CS..SBendtrans-75.759.4-178.261.70000112.7F537 I538 L585 I651F537-S566 VanDerWaalsContact CA-O 3.32Å; F537-S566 WeakPolarHBondContact CA-O 3.45Å; I538-S566 VanDerWaalsContact CB-OG 3.29Å; I538-S566 WeakPolarHBondContact CB-OG 3.02Å; I538-S566 PolarHBondContact N-O 2.75Å; I538-S566 PolarHBondContact N-OG 3.04Å; I538-S566 PolarHBondContact O-OG 3.42Å; S566-L585 WeakPolarHBondContact CB-O 3.44Å; S566-L585 PolarHBondContact N-O 2.69Å; S566-L585 PolarHBondContact OG-O 3.23Å; S566-I651 VanDerWaalsContact O-CD1 3.3Å; S566-I651 WeakPolarHBondContact O-CD1 3.08Å
567I92.4Very high82.1Confident18 Ų1852 Ų529%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-114.3124.5179.2-46.8-173.7000108.7F537 K559 L565 W577 I584F537-I567 HydrophobicContact CD1-CB 4.27Å; F537-I567 HydrophobicContact CD1-CD1 4.26Å; F537-I567 HydrophobicContact CD1-CG1 3.84Å; F537-I567 HydrophobicContact CD1-CG2 3.97Å; F537-I567 HydrophobicContact CE1-CB 4.27Å; F537-I567 HydrophobicContact CE1-CD1 4.11Å; F537-I567 HydrophobicContact CE1-CG1 4.04Å; F537-I567 HydrophobicContact CE1-CG2 3.51Å; F537-I567 HydrophobicContact CZ-CG2 4.39Å; K559-I567 VanDerWaalsContact O-CD1 3.28Å; K559-I567 WeakPolarHBondContact O-CD1 3.38Å; L565-I567 HydrophobicContact CB-CD1 4.17Å; L565-I567 HydrophobicContact CB-CG1 3.98Å; L565-I567 HydrophobicContact CD1-CD1 4.45Å; L565-I567 PolarHBondContact O-N 3.21Å; I567-W577 HydrophobicContact CD1-CH2 4.16Å; I567-W577 HydrophobicContact CD1-CZ2 4.44Å; I567-I584 HydrophobicContact CD1-CD1 3.97Å; I567-I584 HydrophobicContact CG1-CD1 4.45Å; I567-I584 HydrophobicContact CG1-CG2 4.18Å
568I93.4Very high83Confident14 Ų1455.5 Ų55.57%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-137154.3173.157.2173.8000110.7V530 A535 I536 I651 N656 L658V530-I568 HydrophobicContact CG2-CB 4.17Å; V530-I568 HydrophobicContact CG2-CD1 3.56Å; V530-I568 HydrophobicContact CG2-CG1 3.57Å; A535-I568 CarbonylContact C-O 3.53Å; A535-I568 VanDerWaalsContact CA-O 3.27Å; A535-I568 WeakPolarHBondContact CA-O 3.48Å; I536-I568 HydrophobicContact CB-CD1 4.37Å; I536-I568 HydrophobicContact CB-CG1 3.98Å; I536-I568 PolarHBondContact N-O 3.44Å; I536-I568 PolarHBondContact O-N 3.07Å; I536-I568 VanDerWaalsContact O-N 3.1Å; I568-I651 HydrophobicContact CB-CD1 4.35Å; I568-I651 HydrophobicContact CD1-CD1 3.81Å; I568-I651 HydrophobicContact CD1-CG1 3.99Å; I568-I651 HydrophobicContact CG1-CD1 3.63Å; I568-I651 HydrophobicContact CG1-CG1 4.37Å; I568-I651 HydrophobicContact CG2-CD1 4Å; I568-I651 HydrophobicContact CG2-CG2 3.81Å; I568-N656 HydrophobicContact CG2-CB 3.99Å; I568-L658 HydrophobicContact CD1-CB 4.1Å
569G91.2Very high83.3Confident36 Ų3657.8 Ų57.837%0.37131%0.314SS..EExtended strand (participates in β ladder)trans91.9-174.5-178.300000113.5T534T534-G569 CarbonylContact O-C 3.55Å; T534-G569 WeakPolarHBondContact O-CA 3.33Å
570S87.6Confident83.5Confident62 Ų6255.3 Ų55.343%0.43430%0.304SS..  trans-146.4144.6-175.861.30000110.9G533 T534G533-S570 CarbonylContact C-O 3.54Å; G533-S570 VanDerWaalsContact CA-O 3.29Å; G533-S570 WeakPolarHBondContact CA-O 3.07Å; G533-S570 PolarHBondContact N-O 3.46Å; T534-S570 CarbonylContact C-O 3.5Å; T534-S570 PolarHBondContact N-O 3.29Å; T534-S570 PolarHBondContact O-N 2.99Å
571V86.6Confident83.4Confident22 Ų2255.8 Ų55.813%0.13331%0.313CS..  trans-141.3148.2-179.8-66.50000108.4A535 W560 R573 L596A535-V571 HydrophobicContact CB-CG1 3.81Å; W560-V571 HydrophobicContact CH2-CG2 3.36Å; W560-V571 HydrophobicContact CZ2-CG2 3.97Å; W560-V571 HydrophobicContact CZ3-CG2 4Å; V571-R573 WeakPolarHBondContact CG2-O 3.31Å; V571-R573 PolarHBondContact O-N 2.93Å; V571-L596 HydrophobicContact CB-CD2 4.05Å; V571-L596 HydrophobicContact CG1-CD2 3.62Å; V571-L596 HydrophobicContact CG2-CD2 3.81Å
572D79.9Confident83.7Confident151 Ų15153.3 Ų53.381%0.80729%0.293SS*.SBendtrans-65.7-29-177.3-58.7-28.8000112.2
573R80.4Confident84Confident79 Ų7957.1 Ų57.130%0.29831%0.308SS..SBendtrans-125.9130.7179-64.2-169.8175.8116.621.1111.8V571 E615 K638 I640V571-R573 WeakPolarHBondContact CG2-O 3.31Å; V571-R573 PolarHBondContact O-N 2.93Å; R573-E615 IonicContact CZ-OE1 3.74Å; R573-E615 VanDerWaalsContact CZ-OE1 3.28Å; R573-E615 IonicContact NE-OE1 2.77Å; R573-E615 PolarHBondContact NE-OE1 3.37Å; R573-E615 IonicContact NH2-OE1 2.72Å; R573-E615 PolarHBondContact NH2-OE1 3.14Å; R573-E615 IonicContact NH2-OE2 3.88Å; R573-K638 VanDerWaalsContact NH1-CB 3.32Å; R573-K638 VanDerWaalsContact NH1-CD 3.29Å; R573-K638 VanDerWaalsContact NH1-CG 3.26Å; R573-I640 HydrophobicContact CB-CD1 3.81Å; R573-I640 HydrophobicContact CB-CG1 4.09Å; R573-I640 VanDerWaalsContact O-CD1 3.24Å; R573-I640 WeakPolarHBondContact O-CD1 3.09Å
574K81.1Confident84.4Confident82 Ų8253.1 Ų53.136%0.35728%0.281SS..  trans-83.2141.5175.9-66.2-178.6177179.20111.2D558 W560 L613 I640D558-K574 IonicContact OD2-NZ 3.7Å; D558-K574 PolarHBondContact OD2-NZ 3.05Å; W560-K574 HydrophobicContact CB-CD 4.33Å; W560-K574 HydrophobicContact CD2-CD 4.28Å; W560-K574 HydrophobicContact CD2-CG 4.2Å; W560-K574 HydrophobicContact CE3-CB 4.42Å; W560-K574 HydrophobicContact CE3-CD 4.29Å; W560-K574 HydrophobicContact CE3-CG 3.91Å; W560-K574 HydrophobicContact CG-CD 4.27Å; W560-K574 HydrophobicContact CZ3-CG 4.37Å; K574-L613 HydrophobicContact CB-CD1 4.23Å; K574-L613 PolarHBondContact O-N 3.2Å; K574-I640 VanDerWaalsContact O-CD1 3.27Å; K574-I640 WeakPolarHBondContact O-CD1 3.27Å
575P80.2Confident84.6Confident0 Ų050.8 Ų50.80%026%0.263CS..BIsolated β-bridgetrans-66.8147.2175.729-33.8000111W560 W577 F580 L596 I640W560-P575 HydrophobicContact CZ3-CG 4.5Å; P575-W577 HydrophobicContact CG-CD2 4.46Å; P575-W577 HydrophobicContact CG-CE3 4.15Å; P575-W577 HydrophobicContact CG-CH2 3.89Å; P575-W577 HydrophobicContact CG-CZ2 4.23Å; P575-W577 HydrophobicContact CG-CZ3 3.81Å; P575-W577 PolarHBondContact O-N 3.19Å; P575-F580 HydrophobicContact CB-CD2 4.33Å; P575-L596 HydrophobicContact CB-CD1 4.14Å; P575-L596 HydrophobicContact CG-CD1 4Å; P575-I640 HydrophobicContact CB-CD1 4.43Å
576N82.4Confident84.7Confident29 Ų2952.1 Ų52.116%0.15527%0.274CS..  trans-69108.9164.6-177.1-12.5000109.1D578 K579 F580 E611N576-D578 PolarHBondContact O-N 2.71Å; N576-D578 WeakPolarHBondContact OD1-CB 3.24Å; N576-D578 PolarHBondContact OD1-N 3.24Å; N576-K579 HydrophobicContact CB-CB 4.49Å; N576-K579 PolarHBondContact O-N 3.38Å; N576-K579 VanDerWaalsContact O-N 3.08Å; N576-F580 PolarHBondContact O-N 2.72Å; N576-E611 VanDerWaalsContact CB-O 3.26Å; N576-E611 WeakPolarHBondContact CB-O 3.48Å; N576-E611 PolarHBondContact N-O 3.13Å
577W78.5Confident84.7Confident33 Ų3353.6 Ų53.613%0.12528%0.28CS..G310 helixtrans-62.6-25.6-176.9-64.5123.4000113.9F537 D558 K559 W560 I567 P575 K579 F580 I584F537-W577 AromaticContact CE1-CH2 3.82Å; F537-W577 HydrophobicContact CE1-CH2 3.82Å; F537-W577 HydrophobicContact CE1-CZ3 4.43Å; F537-W577 HydrophobicContact CZ-CH2 4.37Å; D558-W577 PolarHBondContact OD1-NE1 3.46Å; K559-W577 HydrophobicContact CB-CD2 4.09Å; K559-W577 HydrophobicContact CB-CG 4.48Å; K559-W577 HydrophobicContact CB-CH2 4.44Å; K559-W577 HydrophobicContact CB-CZ2 3.82Å; K559-W577 HydrophobicContact CD-CB 4.3Å; K559-W577 HydrophobicContact CD-CD2 3.9Å; K559-W577 HydrophobicContact CD-CE3 4.14Å; K559-W577 HydrophobicContact CD-CG 3.99Å; K559-W577 HydrophobicContact CG-CD2 4.49Å; W560-W577 HydrophobicContact CB-CZ2 4.4Å; W560-W577 HydrophobicContact CE3-CH2 4.24Å; W560-W577 AromaticContact CE3-CZ2 3.83Å; W560-W577 HydrophobicContact CE3-CZ2 3.83Å; I567-W577 HydrophobicContact CD1-CH2 4.16Å; I567-W577 HydrophobicContact CD1-CZ2 4.44Å; P575-W577 HydrophobicContact CG-CD2 4.46Å; P575-W577 HydrophobicContact CG-CE3 4.15Å; P575-W577 HydrophobicContact CG-CH2 3.89Å; P575-W577 HydrophobicContact CG-CZ2 4.23Å; P575-W577 HydrophobicContact CG-CZ3 3.81Å; P575-W577 PolarHBondContact O-N 3.19Å; W577-K579 PolarHBondContact O-N 3.31Å; W577-F580 HydrophobicContact CE3-CB 4.22Å; W577-F580 HydrophobicContact CE3-CG 4.24Å; W577-F580 HydrophobicContact CZ3-CD1 4.44Å; W577-F580 HydrophobicContact CZ3-CG 4.35Å; W577-F580 PolarHBondContact O-N 2.66Å; W577-I584 HydrophobicContact CE3-CD1 4.23Å; W577-I584 HydrophobicContact CH2-CD1 3.78Å; W577-I584 HydrophobicContact CZ3-CD1 3.48Å; W577-I584 VanDerWaalsContact CZ3-CD1 3.48Å
578D75.3Confident84.4Confident150 Ų15054.5 Ų54.580%0.80229%0.294SS*.G310 helixtrans-72.2-22.8177.7-60.5-28.3000112.1N576N576-D578 PolarHBondContact O-N 2.71Å; N576-D578 WeakPolarHBondContact OD1-CB 3.24Å; N576-D578 PolarHBondContact OD1-N 3.24Å
579K75.4Confident84.2Confident105 Ų10558.9 Ų58.946%0.45731%0.314SS..G310 helixtrans-103.75.6178-66.7-174.2171.7179.70112.6N576 W577 P581 I610 E611N576-K579 HydrophobicContact CB-CB 4.49Å; N576-K579 PolarHBondContact O-N 3.38Å; N576-K579 VanDerWaalsContact O-N 3.08Å; W577-K579 PolarHBondContact O-N 3.31Å; K579-P581 WeakPolarHBondContact O-CD 3.4Å; K579-I610 HydrophobicContact CB-CG2 4.24Å; K579-E611 HydrophobicContact CD-CB 4.22Å; K579-E611 HydrophobicContact CD-CG 4.41Å; K579-E611 IonicContact NZ-OE1 2.77Å; K579-E611 PolarHBondContact NZ-OE1 3.2Å; K579-E611 IonicContact NZ-OE2 3.85Å; K579-E611 PolarHBondContact NZ-OE2 2.82Å
580F78.3Confident84Confident19 Ų1960.7 Ų60.78%0.08331%0.314CS..  trans-86112.4-179.8-164.2-98.4000109.7V539 P575 N576 W577 F582 I584 I610 V642V539-F580 HydrophobicContact CG1-CE1 4.24Å; P575-F580 HydrophobicContact CB-CD2 4.33Å; N576-F580 PolarHBondContact O-N 2.72Å; W577-F580 HydrophobicContact CE3-CB 4.22Å; W577-F580 HydrophobicContact CE3-CG 4.24Å; W577-F580 HydrophobicContact CZ3-CD1 4.44Å; W577-F580 HydrophobicContact CZ3-CG 4.35Å; W577-F580 PolarHBondContact O-N 2.66Å; F580-F582 HydrophobicContact CD1-CB 4.26Å; F580-F582 HydrophobicContact CD1-CD2 4.43Å; F580-F582 WeakPolarHBondContact CD1-O 3.22Å; F580-F582 HydrophobicContact CE1-CB 3.87Å; F580-F582 AromaticContact CE1-CD2 3.92Å; F580-F582 HydrophobicContact CE1-CD2 3.92Å; F580-F582 HydrophobicContact CE1-CG 4.4Å; F580-F582 HydrophobicContact CZ-CD2 4.01Å; F580-F582 PolarHBondContact O-N 2.74Å; F580-F582 VanDerWaalsContact O-N 3.08Å; F580-I584 HydrophobicContact CE1-CG1 4.33Å; F580-I610 HydrophobicContact CD2-CD1 3.42Å; F580-I610 VanDerWaalsContact CD2-CD1 3.42Å; F580-I610 HydrophobicContact CE2-CD1 3.81Å; F580-I610 HydrophobicContact CG-CD1 4.37Å; F580-V642 HydrophobicContact CE2-CG2 4.22Å
581P75.8Confident84.1Confident61 Ų6158 Ų5840%0.39630%0.297SS..  trans-82.812.9-164.433.3-35000114.2K579K579-P581 WeakPolarHBondContact O-CD 3.4Å
582F83.6Confident84.2Confident21 Ų2159.2 Ų59.29%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-131.1145.5-174.6-46.6-73.7000111.9V539 F580 V642 M644V539-F582 HydrophobicContact CB-CB 3.77Å; V539-F582 HydrophobicContact CB-CG 4.48Å; V539-F582 HydrophobicContact CG1-CB 4.05Å; V539-F582 HydrophobicContact CG2-CB 4Å; V539-F582 HydrophobicContact CG2-CG 4.18Å; F580-F582 HydrophobicContact CD1-CB 4.26Å; F580-F582 HydrophobicContact CD1-CD2 4.43Å; F580-F582 WeakPolarHBondContact CD1-O 3.22Å; F580-F582 HydrophobicContact CE1-CB 3.87Å; F580-F582 AromaticContact CE1-CD2 3.92Å; F580-F582 HydrophobicContact CE1-CD2 3.92Å; F580-F582 HydrophobicContact CE1-CG 4.4Å; F580-F582 HydrophobicContact CZ-CD2 4.01Å; F580-F582 PolarHBondContact O-N 2.74Å; F580-F582 VanDerWaalsContact O-N 3.08Å; F582-V642 HydrophobicContact CE2-CG1 4.48Å; F582-M644 HydrophobicContact CD1-SD 4.31Å; F582-M644 HydrophobicContact CE1-CE 4.29Å; F582-M644 HydrophobicContact CE1-SD 3.56Å; F582-M644 VanDerWaalsContact CE1-SD 3.56Å; F582-M644 HydrophobicContact CE2-SD 3.89Å; F582-M644 HydrophobicContact CZ-SD 3.31Å; F582-M644 WeakPolarHBondContact CZ-SD 3.34Å
583K88.9Confident84.8Confident124 Ų12452 Ų5254%0.53926%0.262SS..EExtended strand (participates in β ladder)trans-81.7123.3172.3-174.6175.5-178.2172.80110.4V539 Q540V539-K583 CarbonylContact C-O 3.39Å; V539-K583 WeakPolarHBondContact CA-O 3.41Å; V539-K583 WeakPolarHBondContact CB-O 3.4Å; Q540-K583 PolarHBondContact N-O 3.38Å; Q540-K583 PolarHBondContact O-N 2.98Å
584I90.6Very high85.4Confident18 Ų1848.3 Ų48.39%0.09225%0.248CC..EExtended strand (participates in β ladder)trans-77.7126.4175.2-54.5174.1000109.2F537 V539 L565 I567 W577 F580F537-I584 HydrophobicContact CD1-CD1 4.2Å; V539-I584 HydrophobicContact CG1-CG1 4.44Å; L565-I584 HydrophobicContact CB-CG2 4.1Å; L565-I584 HydrophobicContact CD2-CG2 4.31Å; I567-I584 HydrophobicContact CD1-CD1 3.97Å; I567-I584 HydrophobicContact CG1-CD1 4.45Å; I567-I584 HydrophobicContact CG1-CG2 4.18Å; W577-I584 HydrophobicContact CE3-CD1 4.23Å; W577-I584 HydrophobicContact CH2-CD1 3.78Å; W577-I584 HydrophobicContact CZ3-CD1 3.48Å; W577-I584 VanDerWaalsContact CZ3-CD1 3.48Å; F580-I584 HydrophobicContact CE1-CG1 4.33Å
585L91.2Very high86Confident15 Ų1544.4 Ų44.48%0.07923%0.231CC..PPolyproline II helixtrans-82.8155.6178.8-64.4-179.6000111.6I538 Q540 S566 H589I538-L585 HydrophobicContact CG2-CD1 4.26Å; I538-L585 PolarHBondContact O-N 2.81Å; Q540-L585 HydrophobicContact CB-CD1 4.34Å; Q540-L585 HydrophobicContact CB-CD2 4.13Å; Q540-L585 HydrophobicContact CB-CG 4.32Å; S566-L585 WeakPolarHBondContact CB-O 3.44Å; S566-L585 PolarHBondContact N-O 2.69Å; S566-L585 PolarHBondContact OG-O 3.23Å; L585-H589 HydrophobicContact CB-CB 4.08Å; L585-H589 HydrophobicContact CD1-CB 4.27Å
586P92Very high86.5Confident56 Ų5644.4 Ų44.436%0.36423%0.231SC..BIsolated β-bridgetrans-65.6154.4170.1-18.131.4000112.1S564 H589S564-P586 CarbonylContact O-C 3.57Å; S564-P586 VanDerWaalsContact O-CA 3.29Å; S564-P586 WeakPolarHBondContact O-CA 3.47Å; P586-H589 WeakPolarHBondContact O-CB 3.35Å; P586-H589 PolarHBondContact O-N 2.78Å; P586-H589 PolarHBondContact O-ND1 3.24Å
587K92.5Very high86.7Confident31 Ų3143.6 Ų43.614%0.13523%0.23CC..THydrogen-bonded Turntrans-54145.4171.5-69-178.9-177.1161.70110.7P563 S564 L565 H589 I651 P653 N656P563-K587 WeakPolarHBondContact O-CD 3.34Å; P563-K587 VanDerWaalsContact O-CE 3.26Å; P563-K587 WeakPolarHBondContact O-CE 3.43Å; P563-K587 PolarHBondContact O-NZ 3.07Å; S564-K587 PolarHBondContact O-N 3.06Å; L565-K587 WeakPolarHBondContact O-CE 3.29Å; K587-H589 VanDerWaalsContact C-N 3.28Å; K587-H589 PolarHBondContact O-N 2.73Å; K587-I651 HydrophobicContact CD-CG2 4.14Å; K587-I651 HydrophobicContact CG-CB 4.37Å; K587-I651 HydrophobicContact CG-CG2 4.08Å; K587-P653 HydrophobicContact CB-CB 4.08Å; K587-P653 HydrophobicContact CB-CG 3.82Å; K587-N656 VanDerWaalsContact CE-OD1 3.27Å; K587-N656 WeakPolarHBondContact CE-OD1 3.31Å; K587-N656 PolarHBondContact NZ-OD1 3.4Å
588G87.2Confident86.9Confident37 Ų3745.7 Ų45.738%0.38124%0.241SC..THydrogen-bonded Turntrans84.3-15.9-174.100000115.3I651G588-I651 PolarHBondContact N-O 3.35Å
589H89.6Confident87.6Confident105 Ų10538.5 Ų38.549%0.48620%0.203SC..  trans-83.7141.6175.4-68.867.5000111.1L585 P586 K587 F650L585-H589 HydrophobicContact CB-CB 4.08Å; L585-H589 HydrophobicContact CD1-CB 4.27Å; P586-H589 WeakPolarHBondContact O-CB 3.35Å; P586-H589 PolarHBondContact O-N 2.78Å; P586-H589 PolarHBondContact O-ND1 3.24Å; K587-H589 VanDerWaalsContact C-N 3.28Å; K587-H589 PolarHBondContact O-N 2.73Å; H589-F650 WeakPolarHBondContact O-CB 3.45Å
590I87.3Confident88.4Confident75 Ų7533.5 Ų33.539%0.38518%0.181SC..  trans-86.3129.4176-58.4170.3000108.4V509 L648 G649 F650V509-I590 HydrophobicContact CG1-CD1 3.42Å; V509-I590 VanDerWaalsContact CG1-CD1 3.42Å; I590-L648 HydrophobicContact CG2-CB 4.36Å; I590-L648 HydrophobicContact CG2-CD2 4.43Å; I590-G649 WeakPolarHBondContact CA-O 3.48Å; I590-F650 HydrophobicContact CG1-CB 4.25Å; I590-F650 HydrophobicContact CG1-CD1 4.11Å
591G88.8Confident88.9Confident6 Ų632.6 Ų32.66%0.06218%0.177CC..EExtended strand (participates in β ladder)trans-156.7-167.7175.100000111.7I538 L648 G649I538-G591 VanDerWaalsContact CG2-CA 3.46Å; I538-G591 VanDerWaalsContact CG2-N 3.29Å; G591-L648 WeakPolarHBondContact O-CA 3.38Å; G591-L648 WeakPolarHBondContact O-CD2 2.86Å; G591-G649 PolarHBondContact N-O 3.46Å; G591-G649 PolarHBondContact O-N 2.8Å
592H90.1Very high89.2Confident46 Ų4632.3 Ų32.321%0.21317%0.172CC..EExtended strand (participates in β ladder)trans-73.6129.6179.2-68.4-128.6000109.7I538 V539 M644I538-H592 WeakPolarHBondContact CA-O 3.34Å; V539-H592 HydrophobicContact CG2-CB 4.01Å; V539-H592 PolarHBondContact N-O 3.2Å; V539-H592 PolarHBondContact O-N 3.18Å; H592-M644 HydrophobicContact CB-CE 3.57Å
593V92.5Very high89Confident1 Ų133.2 Ų33.21%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-73.1129.4171.6-178.10000108.5Y482 I536 I538 I595 P645 D647 I660Y482-V593 HydrophobicContact CE1-CG1 4.4Å; Y482-V593 WeakPolarHBondContact OH-CG1 3.26Å; I536-V593 HydrophobicContact CG2-CG1 3.88Å; I538-V593 HydrophobicContact CD1-CG2 4.05Å; V593-I595 HydrophobicContact CG1-CG1 4.33Å; V593-P645 HydrophobicContact CB-CG 4.47Å; V593-P645 HydrophobicContact CG1-CG 4.48Å; V593-P645 WeakPolarHBondContact O-CD 3.25Å; V593-D647 HydrophobicContact CB-CB 4.41Å; V593-D647 HydrophobicContact CG2-CB 4.32Å; V593-D647 WeakPolarHBondContact CG2-O 3.5Å; V593-D647 PolarHBondContact N-O 3.28Å; V593-I660 HydrophobicContact CG2-CD1 3.93Å
594C92.8Very high88.1Confident0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-127.2127.1178.8178.60000108.8I536 F537 V539 V642 M644I536-C594 CarbonylContact C-O 3.59Å; I536-C594 WeakPolarHBondContact CA-O 3.41Å; F537-C594 HydrophobicContact CB-CB 4.19Å; F537-C594 PolarHBondContact N-O 3.43Å; F537-C594 PolarHBondContact O-N 3.34Å; V539-C594 HydrophobicContact CG1-CB 4.22Å; V539-C594 HydrophobicContact CG2-CB 3.97Å; C594-V642 WeakPolarHBondContact SG-CG1 3.49Å; C594-M644 HydrophobicContact CB-CG 4.37Å
595I93.7Very high86.7Confident0 Ų028.4 Ų28.40%017%0.165CC..EExtended strand (participates in β ladder)trans-113.6132.6-174.6-54.3171.1000108.7Y482 V487 V491 T534 I536 V593 V600 F643 P645Y482-I595 HydrophobicContact CE1-CD1 4.27Å; V487-I595 HydrophobicContact CG1-CD1 4.09Å; V487-I595 HydrophobicContact CG1-CG2 4.2Å; V491-I595 HydrophobicContact CG2-CD1 4.09Å; T534-I595 HydrophobicContact CG2-CG2 3.72Å; I536-I595 HydrophobicContact CG1-CG1 4.35Å; V593-I595 HydrophobicContact CG1-CG1 4.33Å; I595-V600 HydrophobicContact CG2-CG2 4.17Å; I595-F643 HydrophobicContact CD1-CD1 4.3Å; I595-F643 PolarHBondContact N-O 3.01Å; I595-F643 PolarHBondContact O-N 3.49Å; I595-P645 HydrophobicContact CD1-CG 4.05Å
596L91Very high85.4Confident1 Ų134 Ų341%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-131.4142.4-179.7-177155.2000109.4T534 A535 F537 V571 P575 I640 R641 V642T534-L596 CarbonylContact C-O 3.59Å; T534-L596 WeakPolarHBondContact CA-O 3.22Å; A535-L596 PolarHBondContact N-O 2.86Å; A535-L596 PolarHBondContact O-N 3.01Å; F537-L596 HydrophobicContact CD2-CB 4.42Å; F537-L596 HydrophobicContact CE2-CB 3.64Å; F537-L596 HydrophobicContact CE2-CD1 3.85Å; F537-L596 HydrophobicContact CE2-CG 4.29Å; F537-L596 HydrophobicContact CZ-CD1 4.25Å; V571-L596 HydrophobicContact CB-CD2 4.05Å; V571-L596 HydrophobicContact CG1-CD2 3.62Å; V571-L596 HydrophobicContact CG2-CD2 3.81Å; P575-L596 HydrophobicContact CB-CD1 4.14Å; P575-L596 HydrophobicContact CG-CD1 4Å; L596-I640 HydrophobicContact CD1-CG2 3.59Å; L596-I640 HydrophobicContact CD2-CG2 3.51Å; L596-I640 HydrophobicContact CG-CG2 3.39Å; L596-R641 WeakPolarHBondContact CA-O 3.48Å; L596-V642 HydrophobicContact CB-CG2 4.45Å; L596-V642 HydrophobicContact CD1-CG2 3.79Å; L596-V642 HydrophobicContact CG-CG2 4.18Å
597G85.9Confident84.1Confident12 Ų1233 Ų3312%0.12418%0.179CC..EExtended strand (participates in β ladder)trans134.9-170.4169.500000114.1G533 Q599 V600 R641G533-G597 WeakPolarHBondContact O-CA 3.41Å; G597-Q599 PolarHBondContact O-N 3.43Å; G597-Q599 VanDerWaalsContact O-N 3.17Å; G597-V600 PolarHBondContact O-N 2.9Å; G597-R641 PolarHBondContact N-O 3.18Å
598Q83Confident82.8Confident76 Ų7635.5 Ų35.536%0.35519%0.191SC..THydrogen-bonded Turntrans-57.9-33.2-175-177.2173.814.300112.2T327 Q328 G533 V600T327-Q598 VanDerWaalsContact CB-NE2 3.34Å; Q328-Q598 WeakPolarHBondContact CG-O 3.48Å; Q328-Q598 PolarHBondContact NE2-O 3.35Å; G533-Q598 PolarHBondContact O-N 2.95Å; G533-Q598 VanDerWaalsContact O-N 3.09Å; Q598-V600 PolarHBondContact O-N 2.95Å
599Q89.8Confident81.7Confident0 Ų041.3 Ų41.30%020%0.201CC..THydrogen-bonded Turntrans-65.5-23.1-175.5-15368.78.500114.1Q328 N331 V487 V491 T534 G597 S601Q328-Q599 PolarHBondContact O-NE2 3.31Å; Q328-Q599 PolarHBondContact O-OE1 3.37Å; N331-Q599 PolarHBondContact ND2-OE1 2.9Å; V487-Q599 WeakPolarHBondContact CA-O 3.48Å; V487-Q599 HydrophobicContact CB-CG 4.05Å; V487-Q599 WeakPolarHBondContact O-CG 3.4Å; V487-Q599 PolarHBondContact O-NE2 3.45Å; V491-Q599 HydrophobicContact CG1-CB 4.21Å; V491-Q599 HydrophobicContact CG1-CG 3.76Å; T534-Q599 WeakPolarHBondContact OG1-CB 3.22Å; G597-Q599 PolarHBondContact O-N 3.43Å; G597-Q599 VanDerWaalsContact O-N 3.17Å; Q599-S601 PolarHBondContact O-N 2.88Å
600V91.1Very high80.5Confident0 Ų036.7 Ų36.70%018%0.18CC..SBendtrans-72.3121.4-177.3178.50000111Q328 V487 I595 G597 Q598 R641 F643Q328-V600 VanDerWaalsContact NE2-C 3.31Å; Q328-V600 PolarHBondContact NE2-O 2.87Å; V487-V600 HydrophobicContact CG1-CG2 4.47Å; I595-V600 HydrophobicContact CG2-CG2 4.17Å; G597-V600 PolarHBondContact O-N 2.9Å; Q598-V600 PolarHBondContact O-N 2.95Å; V600-R641 HydrophobicContact CB-CB 4.02Å; V600-R641 HydrophobicContact CG1-CB 3.91Å; V600-R641 VanDerWaalsContact O-CZ 3.27Å; V600-R641 PolarHBondContact O-NE 3.27Å; V600-R641 PolarHBondContact O-NH2 3.3Å; V600-F643 HydrophobicContact CB-CB 4.41Å; V600-F643 HydrophobicContact CG1-CB 3.52Å; V600-F643 HydrophobicContact CG1-CG 4.42Å; V600-F643 HydrophobicContact CG2-CB 3.98Å
601S89Confident79.6Confident0 Ų037 Ų370%018%0.18CC..  trans-65.9136.3175.7174.60000112.3K323 E486 Q599 S603 A604K323-S601 PolarHBondContact O-OG 3.24Å; E486-S601 VanDerWaalsContact O-CB 3.28Å; E486-S601 WeakPolarHBondContact O-CB 3.27Å; E486-S601 PolarHBondContact O-N 2.86Å; Q599-S601 PolarHBondContact O-N 2.88Å; S601-S603 PolarHBondContact O-N 2.7Å; S601-S603 VanDerWaalsContact O-N 3.13Å; S601-S603 PolarHBondContact OG-N 2.92Å; S601-S603 PolarHBondContact OG-OG 2.84Å; S601-A604 VanDerWaalsContact O-CB 3.24Å; S601-A604 WeakPolarHBondContact O-CB 3.03Å; S601-A604 PolarHBondContact O-N 2.83Å; S601-A604 VanDerWaalsContact O-N 3.07Å
602D82.3Confident78.4Confident54 Ų5437.7 Ų37.729%0.28918%0.184SC..THydrogen-bonded Turntrans-57.2-25.6175.7-35.39.3000112.2R325 R641R325-D602 IonicContact CZ-OD2 2.68Å; R325-D602 IonicContact NE-OD1 2.87Å; R325-D602 IonicContact NE-OD2 2.81Å; R325-D602 PolarHBondContact NE-OD2 3.21Å; R325-D602 IonicContact NH2-OD2 3.48Å; R325-D602 PolarHBondContact NH2-OD2 3.07Å; D602-R641 IonicContact OD1-CZ 2.81Å; D602-R641 VanDerWaalsContact OD1-CZ 3.23Å; D602-R641 IonicContact OD1-NH1 2.61Å; D602-R641 PolarHBondContact OD1-NH1 2.98Å; D602-R641 IonicContact OD1-NH2 3.33Å; D602-R641 IonicContact OD2-NH1 2.84Å
603S79.6Confident77Confident41 Ų4139.3 Ų39.329%0.28719%0.194SC..THydrogen-bonded Turntrans-105.19.7-177.574.80000113.1P321 V322 K323 S601 S605P321-S603 PolarHBondContact O-OG 2.94Å; V322-S603 WeakPolarHBondContact CA-OG 3.32Å; K323-S603 PolarHBondContact N-OG 2.76Å; S601-S603 PolarHBondContact O-N 2.7Å; S601-S603 VanDerWaalsContact O-N 3.13Å; S601-S603 PolarHBondContact OG-N 2.92Å; S601-S603 PolarHBondContact OG-OG 2.84Å; S603-S605 PolarHBondContact O-N 2.9Å
604A69.5Low75Confident7 Ų744.9 Ų44.96%0.05823%0.23CC..  trans-63129.9177.200000110.9E486 S601 R606 C607 F643E486-A604 HydrophobicContact CB-CB 3.65Å; E486-A604 HydrophobicContact CG-CB 3.74Å; S601-A604 VanDerWaalsContact O-CB 3.24Å; S601-A604 WeakPolarHBondContact O-CB 3.03Å; S601-A604 PolarHBondContact O-N 2.83Å; S601-A604 VanDerWaalsContact O-N 3.07Å; A604-R606 PolarHBondContact O-N 3.36Å; A604-C607 HydrophobicContact CB-CB 4.12Å; A604-C607 WeakPolarHBondContact O-CB 3.44Å; A604-C607 PolarHBondContact O-N 2.87Å; A604-F643 HydrophobicContact CB-CD2 3.79Å; A604-F643 HydrophobicContact CB-CE2 4.03Å; A604-F643 HydrophobicContact CB-CG 4.39Å
605S62.5Low72.7Confident34 Ų3450.2 Ų50.224%0.23826%0.255CS..THydrogen-bonded Turntrans-68.7132176.864.80000110.3S603 C607 F643S603-S605 PolarHBondContact O-N 2.9Å; S605-C607 VanDerWaalsContact C-N 3.31Å; S605-F643 WeakPolarHBondContact O-CE2 3.48Å
606R64Low70Confident132 Ų13256.4 Ų56.450%0.49829%0.288SS..THydrogen-bonded Turntrans68.224.6-168.4-50.1179.4175.2-171.7-6.2114.2A604 N665A604-R606 PolarHBondContact O-N 3.36Å; R606-N665 PolarHBondContact NH1-ND2 2.85Å; R606-N665 VanDerWaalsContact NH1-ND2 3.19Å
607C63.7Low67.3Low34 Ų3464.4 Ų64.423%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-72.3124.1161.6-168.70000109.3A604 S605 V642A604-C607 HydrophobicContact CB-CB 4.12Å; A604-C607 WeakPolarHBondContact O-CB 3.44Å; A604-C607 PolarHBondContact O-N 2.87Å; S605-C607 VanDerWaalsContact C-N 3.31Å; C607-V642 CarbonylContact C-O 3.37Å; C607-V642 VanDerWaalsContact CA-O 3.23Å; C607-V642 WeakPolarHBondContact CA-O 3.36Å
608Q64.7Low64.5Low84 Ų8471.5 Ų71.539%0.39337%0.365SS..EExtended strand (participates in β ladder)trans-102.8151166.3-70.2179.7-6.300109.2V642Q608-V642 PolarHBondContact N-O 3.27Å; Q608-V642 PolarHBondContact O-N 3.3Å
609R64.9Low62Low160 Ų16073.1 Ų73.160%0.60438%0.384SS*.EExtended strand (participates in β ladder)trans-107.7127.5172.8-59.7-163.4-170.4174.6-1.1108.3E639 I640R609-E639 HydrophobicContact CB-CB 4.23Å; R609-E639 HydrophobicContact CB-CG 4.38Å; R609-E639 WeakPolarHBondContact CD-OE2 3.45Å; R609-E639 IonicContact CZ-OE2 2.71Å; R609-E639 IonicContact NE-OE2 2.69Å; R609-E639 IonicContact NH1-OE2 2.91Å; R609-E639 PolarHBondContact NH1-OE2 3.2Å; R609-I640 WeakPolarHBondContact CA-O 3.33Å
610I65.2Low59Low8 Ų879.3 Ų79.34%0.04142%0.421CS..EExtended strand (participates in β ladder)trans-120.9138.3-178.6-53.1-175000107.6K579 F580 I640 V642K579-I610 HydrophobicContact CB-CG2 4.24Å; F580-I610 HydrophobicContact CD2-CD1 3.42Å; F580-I610 VanDerWaalsContact CD2-CD1 3.42Å; F580-I610 HydrophobicContact CE2-CD1 3.81Å; F580-I610 HydrophobicContact CG-CD1 4.37Å; I610-I640 PolarHBondContact N-O 3.31Å; I610-I640 PolarHBondContact O-N 3.39Å; I610-V642 HydrophobicContact CD1-CB 4.2Å; I610-V642 HydrophobicContact CD1-CG2 3.5Å; I610-V642 VanDerWaalsContact CD1-CG2 3.5Å; I610-V642 HydrophobicContact CG1-CG2 4.03Å
611E68Low56.1Low81 Ų8186.8 Ų86.838%0.37946%0.461SS..PPolyproline II helixtrans-63.4136.8175.3-75.8173.9-149.300111.3N576 K579N576-E611 VanDerWaalsContact CB-O 3.26Å; N576-E611 WeakPolarHBondContact CB-O 3.48Å; N576-E611 PolarHBondContact N-O 3.13Å; K579-E611 HydrophobicContact CD-CB 4.22Å; K579-E611 HydrophobicContact CD-CG 4.41Å; K579-E611 IonicContact NZ-OE1 2.77Å; K579-E611 PolarHBondContact NZ-OE1 3.2Å; K579-E611 IonicContact NZ-OE2 3.85Å; K579-E611 PolarHBondContact NZ-OE2 2.82Å
612S63.5Low53.2Low21 Ų2191.9 Ų91.915%0.14749%0.492CS..BIsolated β-bridgetrans-78.1156169.170.30000110.9K638S612-K638 VanDerWaalsContact CB-O 3.27Å; S612-K638 WeakPolarHBondContact CB-O 3.48Å; S612-K638 PolarHBondContact OG-O 2.57Å
613L60.6Low50.6Low80 Ų8096.5 Ų96.542%0.41952%0.517SS..PPolyproline II helixtrans-60.6144.8163.6-75.2153.2000110.1K574 E615K574-L613 HydrophobicContact CB-CD1 4.23Å; K574-L613 PolarHBondContact O-N 3.2Å; L613-E615 PolarHBondContact O-N 2.92Å
614P51.1Low48.4Very low118 Ų118104.6 Ų104.677%0.76655%0.547SS*.PPolyproline II helixtrans-60132.8173.6-19.430.6000111.1D616P614-D616 VanDerWaalsContact C-N 3.35Å; P614-D616 PolarHBondContact O-N 2.69Å
615E43.8Very low46.2Very low112 Ų112110 Ų11052%0.52358%0.583SS.*SBendtrans-70.789.8167.6-76.7166.8-176.100107.8R573 L613 K638R573-E615 IonicContact CZ-OE1 3.74Å; R573-E615 VanDerWaalsContact CZ-OE1 3.28Å; R573-E615 IonicContact NE-OE1 2.77Å; R573-E615 PolarHBondContact NE-OE1 3.37Å; R573-E615 IonicContact NH2-OE1 2.72Å; R573-E615 PolarHBondContact NH2-OE1 3.14Å; R573-E615 IonicContact NH2-OE2 3.88Å; L613-E615 PolarHBondContact O-N 2.92Å; E615-K638 IonicContact OE2-NZ 3.08Å; E615-K638 PolarHBondContact OE2-NZ 3.17Å
616D35.9Very low44.5Very low130 Ų130118.3 Ų118.370%0.69562%0.615SS**  trans161132.3138.5-85.5-29.1000114.8P614P614-D616 VanDerWaalsContact C-N 3.35Å; P614-D616 PolarHBondContact O-N 2.69Å
617L34.5Very low42.6Very low168 Ų168116.5 Ų116.588%0.8862%0.622SS**SBendtrans-155.39.1145.3-108.3153.2000114.3
618N28.4Very low40.8Very low162 Ų162122.2 Ų122.287%0.86665%0.65SS**SBendtrans-13942.2-179-89.6-20.3000114.6
619C29.7Very low39Very low110 Ų110124.5 Ų124.574%0.74367%0.67SS**  trans-127.875.6161.3-79.20000109.4D621C619-D621 VanDerWaalsContact C-N 3.26Å; C619-D621 PolarHBondContact O-N 2.99Å
620V27.2Very low37.1Very low129 Ų129126.3 Ų126.378%0.78269%0.685SS**  trans-78.186.7157.7-1790000106.2T622V620-T622 HydrophobicContact CG1-CG2 4.32Å
621D29.9Very low35.1Very low158 Ų158130.9 Ų130.985%0.84572%0.718SS**  trans-11494.9157-115.9-15.3000107.7C619C619-D621 VanDerWaalsContact C-N 3.26Å; C619-D621 PolarHBondContact O-N 2.99Å
622T28.3Very low33Very low106 Ų106133 Ų13365%0.6574%0.74SS**  trans-61.9133167.446.60000109.5V620V620-T622 HydrophobicContact CG1-CG2 4.32Å
623N28.6Very low31.2Very low152 Ų152140.8 Ų140.881%0.81377%0.774SS**  trans94.580.5170.6-53.7-30.9000116.8
624K31.6Very low29.6Very low210 Ų210144.2 Ų144.291%0.91379%0.793SS**  trans-153143134.8-112.7167.1-175.3176.40111.2
625C25.4Very low28.5Very low120 Ų120146.6 Ų146.681%0.81180%0.799SS**  trans-60139.4-155.5-62.60000115.3S627C625-S627 PolarHBondContact O-N 3.3Å
626K24.9Very low28.1Very low210 Ų210145.3 Ų145.391%0.91380%0.803SS**  trans-75.7102.4160.6-74.7179.3173.5-179.10109.3
627S25.4Very low28.5Very low94 Ų94142.8 Ų142.866%0.65780%0.795SS**  trans-165137.7149.8-8.30000107.3C625C625-S627 PolarHBondContact O-N 3.3Å
628D25.2Very low29.8Very low153 Ų153139.5 Ų139.582%0.81877%0.774SS**SBendtrans8754.2164.4-45.9-20000118.3
629V27.6Very low31.7Very low133 Ų133136.3 Ų136.381%0.80675%0.754SS**  trans-146.975.3150-167.60000110.5
630E24Very low33.9Very low198 Ų198131.7 Ų131.793%0.92572%0.722SS**  trans-109.479.9156-85.2-175.6172.100107.2
631S23.7Very low36.5Very low103 Ų103128.4 Ų128.472%0.7270%0.695SS**SBendtrans171.686.3159.640.20000109.3
632C24.8Very low39.1Very low126 Ų126120.9 Ų120.985%0.85166%0.655SS**  trans172.460.8149.8-89.50000108N634C632-N634 VanDerWaalsContact C-N 3.26Å; C632-N634 PolarHBondContact O-N 3.15Å
633E23.9Very low42Very low185 Ų185116 Ų11686%0.86463%0.625SS**  trans-74.485.5161.8-74.5-172.9159.100108.5
634N28.5Very low44.8Very low151 Ų151109.9 Ų109.981%0.80759%0.592SS**  trans-119.183.8151.9-96.1-19.9000107.2C632 S636C632-N634 VanDerWaalsContact C-N 3.26Å; C632-N634 PolarHBondContact O-N 3.15Å; N634-S636 PolarHBondContact O-N 3.13Å
635N27.8Very low47.3Very low168 Ų168100.2 Ų100.290%0.89855%0.55SS*.  trans-58.379.7161.2-86.2-26.4000109.2
636S35.3Very low49.9Very low86 Ų8694.7 Ų94.760%0.60151%0.513SS*.  trans-97.1109.7159.158.40000106.9N634 K638N634-S636 PolarHBondContact O-N 3.13Å; S636-K638 PolarHBondContact O-N 3.47Å
637S44.6Very low52.8Low76 Ų7684.9 Ų84.953%0.53147%0.471SS..  trans-42.9116.7157.545.60000107.9E639S637-E639 VanDerWaalsContact C-N 3.3Å; S637-E639 PolarHBondContact O-N 3.28Å
638K60.9Low55.8Low100 Ų10082.7 Ų82.744%0.43545%0.452SS..  trans-74.883.3-172.2-87154.5152.9-171.30109.8R573 S612 E615 S636R573-K638 VanDerWaalsContact NH1-CB 3.32Å; R573-K638 VanDerWaalsContact NH1-CD 3.29Å; R573-K638 VanDerWaalsContact NH1-CG 3.26Å; S612-K638 VanDerWaalsContact CB-O 3.27Å; S612-K638 WeakPolarHBondContact CB-O 3.48Å; S612-K638 PolarHBondContact OG-O 2.57Å; E615-K638 IonicContact OE2-NZ 3.08Å; E615-K638 PolarHBondContact OE2-NZ 3.17Å; S636-K638 PolarHBondContact O-N 3.47Å
639E67.6Low58.9Low94 Ų9475.4 Ų75.444%0.43941%0.413SS..PPolyproline II helixtrans-59.6135.7-178.2-66.7176.4143.900112.6R609 S637R609-E639 HydrophobicContact CB-CB 4.23Å; R609-E639 HydrophobicContact CB-CG 4.38Å; R609-E639 WeakPolarHBondContact CD-OE2 3.45Å; R609-E639 IonicContact CZ-OE2 2.71Å; R609-E639 IonicContact NE-OE2 2.69Å; R609-E639 IonicContact NH1-OE2 2.91Å; R609-E639 PolarHBondContact NH1-OE2 3.2Å; S637-E639 VanDerWaalsContact C-N 3.3Å; S637-E639 PolarHBondContact O-N 3.28Å
640I76Confident62.1Low14 Ų1469.8 Ų69.87%0.07238%0.378CS..EExtended strand (participates in β ladder)trans-96.5137.4170.9-66.4162.8000108.9R573 K574 P575 L596 R609 I610R573-I640 HydrophobicContact CB-CD1 3.81Å; R573-I640 HydrophobicContact CB-CG1 4.09Å; R573-I640 VanDerWaalsContact O-CD1 3.24Å; R573-I640 WeakPolarHBondContact O-CD1 3.09Å; K574-I640 VanDerWaalsContact O-CD1 3.27Å; K574-I640 WeakPolarHBondContact O-CD1 3.27Å; P575-I640 HydrophobicContact CB-CD1 4.43Å; L596-I640 HydrophobicContact CD1-CG2 3.59Å; L596-I640 HydrophobicContact CD2-CG2 3.51Å; L596-I640 HydrophobicContact CG-CG2 3.39Å; R609-I640 WeakPolarHBondContact CA-O 3.33Å; I610-I640 PolarHBondContact N-O 3.31Å; I610-I640 PolarHBondContact O-N 3.39Å
641R82.4Confident65.4Low59 Ų5960.4 Ų60.422%0.22333%0.333CS..EExtended strand (participates in β ladder)trans-93.6130.8-180-68-175.8-68.9-135.611.2111.4L596 G597 V600 D602L596-R641 WeakPolarHBondContact CA-O 3.48Å; G597-R641 PolarHBondContact N-O 3.18Å; V600-R641 HydrophobicContact CB-CB 4.02Å; V600-R641 HydrophobicContact CG1-CB 3.91Å; V600-R641 VanDerWaalsContact O-CZ 3.27Å; V600-R641 PolarHBondContact O-NE 3.27Å; V600-R641 PolarHBondContact O-NH2 3.3Å; D602-R641 IonicContact OD1-CZ 2.81Å; D602-R641 VanDerWaalsContact OD1-CZ 3.23Å; D602-R641 IonicContact OD1-NH1 2.61Å; D602-R641 PolarHBondContact OD1-NH1 2.98Å; D602-R641 IonicContact OD1-NH2 3.33Å; D602-R641 IonicContact OD2-NH1 2.84Å
642V85.6Confident68.8Low1 Ų156 Ų561%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-118.8128.8176.6176.10000109.6F580 F582 C594 L596 C607 Q608 I610F580-V642 HydrophobicContact CE2-CG2 4.22Å; F582-V642 HydrophobicContact CE2-CG1 4.48Å; C594-V642 WeakPolarHBondContact SG-CG1 3.49Å; L596-V642 HydrophobicContact CB-CG2 4.45Å; L596-V642 HydrophobicContact CD1-CG2 3.79Å; L596-V642 HydrophobicContact CG-CG2 4.18Å; C607-V642 CarbonylContact C-O 3.37Å; C607-V642 VanDerWaalsContact CA-O 3.23Å; C607-V642 WeakPolarHBondContact CA-O 3.36Å; Q608-V642 PolarHBondContact N-O 3.27Å; Q608-V642 PolarHBondContact O-N 3.3Å; I610-V642 HydrophobicContact CD1-CB 4.2Å; I610-V642 HydrophobicContact CD1-CG2 3.5Å; I610-V642 VanDerWaalsContact CD1-CG2 3.5Å; I610-V642 HydrophobicContact CG1-CG2 4.03Å
643F88.6Confident71.9Confident4 Ų453.6 Ų53.62%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-126.4127.5-179.7171.2-117.2000111.5T484 E486 V487 I595 V600 A604 S605 P645T484-F643 HydrophobicContact CG2-CE1 3.99Å; T484-F643 WeakPolarHBondContact OG1-CE1 3.45Å; E486-F643 HydrophobicContact CB-CD1 4.28Å; E486-F643 HydrophobicContact CB-CD2 4.48Å; E486-F643 HydrophobicContact CB-CE1 3.67Å; E486-F643 HydrophobicContact CB-CE2 3.91Å; E486-F643 HydrophobicContact CB-CZ 3.46Å; E486-F643 VanDerWaalsContact CB-CZ 3.46Å; E486-F643 HydrophobicContact CG-CE1 4.4Å; E486-F643 HydrophobicContact CG-CE2 3.92Å; E486-F643 HydrophobicContact CG-CZ 3.68Å; V487-F643 HydrophobicContact CG1-CD1 3.79Å; V487-F643 HydrophobicContact CG1-CE1 4.14Å; I595-F643 HydrophobicContact CD1-CD1 4.3Å; I595-F643 PolarHBondContact N-O 3.01Å; I595-F643 PolarHBondContact O-N 3.49Å; V600-F643 HydrophobicContact CB-CB 4.41Å; V600-F643 HydrophobicContact CG1-CB 3.52Å; V600-F643 HydrophobicContact CG1-CG 4.42Å; V600-F643 HydrophobicContact CG2-CB 3.98Å; A604-F643 HydrophobicContact CB-CD2 3.79Å; A604-F643 HydrophobicContact CB-CE2 4.03Å; A604-F643 HydrophobicContact CB-CG 4.39Å; S605-F643 WeakPolarHBondContact O-CE2 3.48Å; F643-P645 HydrophobicContact CE1-CB 3.75Å; F643-P645 HydrophobicContact CE1-CG 4.37Å; F643-P645 HydrophobicContact CZ-CB 4.03Å; F643-P645 WeakPolarHBondContact O-CD 3.43Å
644M87.1Confident75.1Confident23 Ų2352.6 Ų52.611%0.11328%0.28CS..  trans-106.5100.8174.8-67.6-174.881.200110.1V539 F582 H592 C594 G646V539-M644 HydrophobicContact CG2-CE 3.84Å; F582-M644 HydrophobicContact CD1-SD 4.31Å; F582-M644 HydrophobicContact CE1-CE 4.29Å; F582-M644 HydrophobicContact CE1-SD 3.56Å; F582-M644 VanDerWaalsContact CE1-SD 3.56Å; F582-M644 HydrophobicContact CE2-SD 3.89Å; F582-M644 HydrophobicContact CZ-SD 3.31Å; F582-M644 WeakPolarHBondContact CZ-SD 3.34Å; H592-M644 HydrophobicContact CB-CE 3.57Å; C594-M644 HydrophobicContact CB-CG 4.37Å; M644-G646 PolarHBondContact O-N 3.06Å; M644-G646 VanDerWaalsContact O-N 3.14Å
645P84Confident78.2Confident6 Ų647.8 Ų47.84%0.03926%0.256CS..  trans-65.1-15.6-179.824.8-35.7000114Y482 T484 V593 I595 F643 D647 R663Y482-P645 WeakPolarHBondContact OH-CG 3.18Å; T484-P645 HydrophobicContact CG2-CB 3.99Å; V593-P645 HydrophobicContact CB-CG 4.47Å; V593-P645 HydrophobicContact CG1-CG 4.48Å; V593-P645 WeakPolarHBondContact O-CD 3.25Å; I595-P645 HydrophobicContact CD1-CG 4.05Å; F643-P645 HydrophobicContact CE1-CB 3.75Å; F643-P645 HydrophobicContact CE1-CG 4.37Å; F643-P645 HydrophobicContact CZ-CB 4.03Å; F643-P645 WeakPolarHBondContact O-CD 3.43Å; P645-D647 HydrophobicContact CG-CB 4.37Å; P645-R663 PolarHBondContact O-NH2 2.85Å
646G80.1Confident81.3Confident4 Ų443 Ų434%0.04123%0.231CC..  trans81.920.8-173.100000113.5M644 R663 T664 N665M644-G646 PolarHBondContact O-N 3.06Å; M644-G646 VanDerWaalsContact O-N 3.14Å; G646-R663 CarbonylContact O-C 3.34Å; G646-R663 VanDerWaalsContact O-CA 3.28Å; G646-R663 WeakPolarHBondContact O-CA 3.27Å; G646-R663 WeakPolarHBondContact O-CB 3.33Å; G646-T664 PolarHBondContact O-N 3.44Å; G646-T664 PolarHBondContact O-OG1 3.45Å; G646-N665 WeakPolarHBondContact CA-OD1 3.35Å; G646-N665 PolarHBondContact O-OD1 2.98Å
647D86.3Confident84.1Confident4 Ų440 Ų402%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-93142.6175.4-62.1-36.4000109.5Y482 V593 P645 R663 R674Y482-D647 HydrophobicContact CE2-CB 4.45Å; Y482-D647 WeakPolarHBondContact CE2-OD2 3.5Å; Y482-D647 PolarHBondContact OH-OD2 3.48Å; V593-D647 HydrophobicContact CB-CB 4.41Å; V593-D647 HydrophobicContact CG2-CB 4.32Å; V593-D647 WeakPolarHBondContact CG2-O 3.5Å; V593-D647 PolarHBondContact N-O 3.28Å; P645-D647 HydrophobicContact CG-CB 4.37Å; D647-R663 WeakPolarHBondContact OD1-CD 3.46Å; D647-R663 WeakPolarHBondContact OD1-CG 3.42Å; D647-R663 IonicContact OD1-CZ 2.57Å; D647-R663 VanDerWaalsContact OD1-CZ 3.26Å; D647-R663 IonicContact OD1-NE 2.61Å; D647-R663 PolarHBondContact OD1-NE 3.08Å; D647-R663 IonicContact OD1-NH2 3.25Å; D647-R663 PolarHBondContact OD1-NH2 2.77Å; D647-R674 IonicContact OD2-NH2 3.9Å
648L87.1Confident86.6Confident48 Ų4836.3 Ų36.325%0.25118%0.182SC..EExtended strand (participates in β ladder)trans-92.9136.5169.7-76.8175.2000109.4I590 G591 C661 G662 T664I590-L648 HydrophobicContact CG2-CB 4.36Å; I590-L648 HydrophobicContact CG2-CD2 4.43Å; G591-L648 WeakPolarHBondContact O-CA 3.38Å; G591-L648 WeakPolarHBondContact O-CD2 2.86Å; L648-C661 HydrophobicContact CB-CB 4.4Å; L648-C661 PolarHBondContact O-N 3.03Å; L648-G662 PolarHBondContact N-O 3.21Å; L648-T664 HydrophobicContact CD1-CG2 4.06Å; L648-T664 HydrophobicContact CD2-CG2 3.23Å; L648-T664 HydrophobicContact CG-CG2 3.31Å
649G91.2Very high88.2Confident0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-161.4176.8176.600000113.4I538 I590 G591 Y659I538-G649 WeakPolarHBondContact CG2-O 3.18Å; I590-G649 WeakPolarHBondContact CA-O 3.48Å; G591-G649 PolarHBondContact N-O 3.46Å; G591-G649 PolarHBondContact O-N 2.8Å; G649-Y659 CarbonylContact C-O 3.59Å; G649-Y659 WeakPolarHBondContact CA-O 3.34Å
650F93.8Very high89.4Confident16 Ų1627.7 Ų27.77%0.0714%0.143CC..EExtended strand (participates in β ladder)trans-143.1160.1172.170.1-86.5000110.2K507 V509 V524 H589 I590 D652 Y659K507-F650 HydrophobicContact CB-CZ 4.05Å; K507-F650 HydrophobicContact CG-CZ 4.29Å; V509-F650 HydrophobicContact CG2-CD1 4.47Å; V509-F650 HydrophobicContact CG2-CE1 3.62Å; V509-F650 HydrophobicContact CG2-CZ 4.32Å; V524-F650 HydrophobicContact CG2-CE1 4.17Å; V524-F650 HydrophobicContact CG2-CZ 4.44Å; H589-F650 WeakPolarHBondContact O-CB 3.45Å; I590-F650 HydrophobicContact CG1-CB 4.25Å; I590-F650 HydrophobicContact CG1-CD1 4.11Å; F650-D652 HydrophobicContact CE2-CB 4.48Å; F650-Y659 HydrophobicContact CD2-CD2 4.33Å; F650-Y659 HydrophobicContact CE1-CD2 4.5Å; F650-Y659 AromaticContact CE1-CG 3.94Å; F650-Y659 HydrophobicContact CE1-CG 3.94Å; F650-Y659 AromaticContact CE2-CD2 3.66Å; F650-Y659 HydrophobicContact CE2-CD2 3.66Å; F650-Y659 HydrophobicContact CE2-CE2 4.32Å; F650-Y659 AromaticContact CE2-CG 3.92Å; F650-Y659 HydrophobicContact CE2-CG 3.92Å; F650-Y659 HydrophobicContact CZ-CD1 4.07Å; F650-Y659 AromaticContact CZ-CD2 3.76Å; F650-Y659 HydrophobicContact CZ-CD2 3.76Å; F650-Y659 AromaticContact CZ-CG 3.5Å; F650-Y659 HydrophobicContact CZ-CG 3.5Å; F650-Y659 PolarHBondContact N-O 3.14Å; F650-Y659 PolarHBondContact O-N 3.17Å
651I95.1Very high89.7Confident0 Ų027.9 Ų27.90%015%0.145CC..EExtended strand (participates in β ladder)trans-107.1126.1173.9-67166.1000108.4I538 S566 I568 K587 G588 H657 L658I538-I651 HydrophobicContact CD1-CD1 4.46Å; I538-I651 HydrophobicContact CD1-CG1 4.31Å; I538-I651 HydrophobicContact CG1-CD1 3.91Å; I538-I651 HydrophobicContact CG1-CG1 3.91Å; S566-I651 VanDerWaalsContact O-CD1 3.3Å; S566-I651 WeakPolarHBondContact O-CD1 3.08Å; I568-I651 HydrophobicContact CB-CD1 4.35Å; I568-I651 HydrophobicContact CD1-CD1 3.81Å; I568-I651 HydrophobicContact CD1-CG1 3.99Å; I568-I651 HydrophobicContact CG1-CD1 3.63Å; I568-I651 HydrophobicContact CG1-CG1 4.37Å; I568-I651 HydrophobicContact CG2-CD1 4Å; I568-I651 HydrophobicContact CG2-CG2 3.81Å; K587-I651 HydrophobicContact CD-CG2 4.14Å; K587-I651 HydrophobicContact CG-CB 4.37Å; K587-I651 HydrophobicContact CG-CG2 4.08Å; G588-I651 PolarHBondContact N-O 3.35Å; I651-H657 WeakPolarHBondContact CA-O 3.32Å; I651-L658 HydrophobicContact CG1-CD1 4.12Å
652D93.4Very high89.3Confident10 Ų1026 Ų265%0.05314%0.144CC..  trans-70.7126.5179.3175.986.7000110.8K507 F650 Q654 T655 N656 H657 Y659K507-D652 WeakPolarHBondContact CE-OD1 3.32Å; K507-D652 IonicContact NZ-OD1 2.63Å; K507-D652 PolarHBondContact NZ-OD1 3.47Å; F650-D652 HydrophobicContact CE2-CB 4.48Å; D652-Q654 PolarHBondContact O-N 3.38Å; D652-Q654 WeakPolarHBondContact OD2-CB 3.49Å; D652-Q654 PolarHBondContact OD2-N 3.15Å; D652-Q654 VanDerWaalsContact OD2-N 3.14Å; D652-T655 WeakPolarHBondContact CB-OG1 3.21Å; D652-T655 WeakPolarHBondContact OD2-CB 3.48Å; D652-T655 PolarHBondContact OD2-N 3.39Å; D652-T655 PolarHBondContact OD2-OG1 3.26Å; D652-N656 WeakPolarHBondContact O-CA 3.37Å; D652-N656 PolarHBondContact O-N 3.49Å; D652-H657 PolarHBondContact N-O 3.41Å; D652-Y659 HydrophobicContact CB-CD2 4.21Å; D652-Y659 HydrophobicContact CB-CE2 3.66Å
653P91.4Very high88.6Confident76 Ų7628.2 Ų28.249%0.49415%0.152SC..THydrogen-bonded Turntrans-62.8-25.3-176.3-21.329.8000114.9K587K587-P653 HydrophobicContact CB-CB 4.08Å; K587-P653 HydrophobicContact CB-CG 3.82Å
654Q91.3Very high87.4Confident165 Ų16530.6 Ų30.677%0.77117%0.167SC*.THydrogen-bonded Turntrans-89.9-39.8-174.2-63.5177.9-12.500111.8D652D652-Q654 PolarHBondContact O-N 3.38Å; D652-Q654 WeakPolarHBondContact OD2-CB 3.49Å; D652-Q654 PolarHBondContact OD2-N 3.15Å; D652-Q654 VanDerWaalsContact OD2-N 3.14Å
655T92Very high86.1Confident50 Ų5031.1 Ų31.131%0.30717%0.17SC..THydrogen-bonded Turntrans-103.9-15.1-173.157.20000113.6D652 H657D652-T655 WeakPolarHBondContact CB-OG1 3.21Å; D652-T655 WeakPolarHBondContact OD2-CB 3.48Å; D652-T655 PolarHBondContact OD2-N 3.39Å; D652-T655 PolarHBondContact OD2-OG1 3.26Å; T655-H657 PolarHBondContact O-CD2 3.47Å; T655-H657 VanDerWaalsContact O-CD2 3.27Å; T655-H657 PolarHBondContact O-N 3.15Å; T655-H657 VanDerWaalsContact O-N 3.15Å; T655-H657 WeakPolarHBondContact OG1-CB 3.42Å; T655-H657 PolarHBondContact OG1-N 3.38Å
656N93.3Very high84.5Confident67 Ų6734.5 Ų34.536%0.35819%0.185SC..  trans55.421-168.1-64-45.7000113.7I568 K587 D652I568-N656 HydrophobicContact CG2-CB 3.99Å; K587-N656 VanDerWaalsContact CE-OD1 3.27Å; K587-N656 WeakPolarHBondContact CE-OD1 3.31Å; K587-N656 PolarHBondContact NZ-OD1 3.4Å; D652-N656 WeakPolarHBondContact O-CA 3.37Å; D652-N656 PolarHBondContact O-N 3.49Å
657H95.4Very high83.3Confident22 Ų2235.2 Ų35.210%0.10219%0.188CC..  trans-81.8141.8175.2-71.8-177000111H505 S526 I651 D652 T655 Y659H505-H657 AromaticContact CD2-CE1 3.55Å; H505-H657 AromaticContact CD2-ND1 3.5Å; H505-H657 PolarHBondContact CD2-ND1 2.93Å; H505-H657 AromaticContact NE2-CE1 3.69Å; S526-H657 WeakPolarHBondContact OG-CB 3.43Å; S526-H657 PolarHBondContact OG-ND1 2.9Å; I651-H657 WeakPolarHBondContact CA-O 3.32Å; D652-H657 PolarHBondContact N-O 3.41Å; T655-H657 PolarHBondContact O-CD2 3.47Å; T655-H657 VanDerWaalsContact O-CD2 3.27Å; T655-H657 PolarHBondContact O-N 3.15Å; T655-H657 VanDerWaalsContact O-N 3.15Å; T655-H657 WeakPolarHBondContact OG1-CB 3.42Å; T655-H657 PolarHBondContact OG1-N 3.38Å; H657-Y659 HydrophobicContact CB-CE2 3.98Å; H657-Y659 WeakPolarHBondContact O-CD2 3.47Å
658L96.9Very high82.2Confident0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-80.7138.6171.9179.765.4000110.9Y482 T492 V527 G528 I536 I538 I568 I651 I660Y482-L658 HydrophobicContact CD1-CD2 4Å; Y482-L658 HydrophobicContact CE1-CD2 4.04Å; T492-L658 HydrophobicContact CG2-CD2 3.95Å; V527-L658 HydrophobicContact CG2-CB 3.82Å; V527-L658 HydrophobicContact CG2-CD2 3.82Å; V527-L658 HydrophobicContact CG2-CG 3.72Å; V527-L658 VanDerWaalsContact CG2-O 3.3Å; V527-L658 WeakPolarHBondContact CG2-O 3.46Å; V527-L658 PolarHBondContact N-O 3.1Å; G528-L658 PolarHBondContact O-N 2.87Å; I536-L658 HydrophobicContact CD1-CD2 3.78Å; I536-L658 HydrophobicContact CG2-CD1 4.4Å; I536-L658 HydrophobicContact CG2-CD2 4.27Å; I538-L658 HydrophobicContact CD1-CD1 3.9Å; I568-L658 HydrophobicContact CD1-CB 4.1Å; I651-L658 HydrophobicContact CG1-CD1 4.12Å; L658-I660 HydrophobicContact CD1-CD1 4.38Å; L658-I660 HydrophobicContact CD2-CD1 3.98Å; L658-I660 HydrophobicContact CG-CD1 4.06Å
659Y94.8Very high81Confident1 Ų135.1 Ų35.10%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-123.4130171.9-70.1-100.2000109.7H505 K507 V524 G649 F650 D652 H657H505-Y659 WeakPolarHBondContact O-CE1 3.43Å; H505-Y659 PolarHBondContact O-OH 3.49Å; K507-Y659 HydrophobicContact CB-CD1 4.27Å; K507-Y659 HydrophobicContact CB-CE1 3.94Å; K507-Y659 HydrophobicContact CG-CD1 4.15Å; K507-Y659 HydrophobicContact CG-CE1 3.45Å; K507-Y659 VanDerWaalsContact CG-CE1 3.45Å; K507-Y659 HydrophobicContact CG-CE2 4.16Å; K507-Y659 VanDerWaalsContact CG-CZ 3.47Å; V524-Y659 HydrophobicContact CB-CD1 4.5Å; V524-Y659 HydrophobicContact CG2-CD1 3.84Å; G649-Y659 CarbonylContact C-O 3.59Å; G649-Y659 WeakPolarHBondContact CA-O 3.34Å; F650-Y659 HydrophobicContact CD2-CD2 4.33Å; F650-Y659 HydrophobicContact CE1-CD2 4.5Å; F650-Y659 AromaticContact CE1-CG 3.94Å; F650-Y659 HydrophobicContact CE1-CG 3.94Å; F650-Y659 AromaticContact CE2-CD2 3.66Å; F650-Y659 HydrophobicContact CE2-CD2 3.66Å; F650-Y659 HydrophobicContact CE2-CE2 4.32Å; F650-Y659 AromaticContact CE2-CG 3.92Å; F650-Y659 HydrophobicContact CE2-CG 3.92Å; F650-Y659 HydrophobicContact CZ-CD1 4.07Å; F650-Y659 AromaticContact CZ-CD2 3.76Å; F650-Y659 HydrophobicContact CZ-CD2 3.76Å; F650-Y659 AromaticContact CZ-CG 3.5Å; F650-Y659 HydrophobicContact CZ-CG 3.5Å; F650-Y659 PolarHBondContact N-O 3.14Å; F650-Y659 PolarHBondContact O-N 3.17Å; D652-Y659 HydrophobicContact CB-CD2 4.21Å; D652-Y659 HydrophobicContact CB-CE2 3.66Å; H657-Y659 HydrophobicContact CB-CE2 3.98Å; H657-Y659 WeakPolarHBondContact O-CD2 3.47Å
660I91.1Very high79.4Confident12 Ų1235.7 Ų35.76%0.06219%0.19CC..EExtended strand (participates in β ladder)trans-99.9125.8176.7-55.2-60.4000109.3I458 Y482 V527 V593 L658I458-I660 HydrophobicContact CD1-CG2 4.14Å; I458-I660 HydrophobicContact CG1-CG2 4.22Å; Y482-I660 HydrophobicContact CD1-CD1 4.48Å; Y482-I660 HydrophobicContact CD2-CD1 3.92Å; Y482-I660 HydrophobicContact CD2-CG1 3.68Å; Y482-I660 HydrophobicContact CE1-CD1 4.24Å; Y482-I660 HydrophobicContact CE2-CD1 3.63Å; Y482-I660 HydrophobicContact CE2-CG1 3.87Å; Y482-I660 HydrophobicContact CG-CD1 4.33Å; Y482-I660 HydrophobicContact CG-CG1 4.15Å; V527-I660 HydrophobicContact CG1-CG1 4.21Å; V527-I660 HydrophobicContact CG2-CG1 3.94Å; V593-I660 HydrophobicContact CG2-CD1 3.93Å; L658-I660 HydrophobicContact CD1-CD1 4.38Å; L658-I660 HydrophobicContact CD2-CD1 3.98Å; L658-I660 HydrophobicContact CG-CD1 4.06Å
661C82.1Confident77.7Confident18 Ų1837 Ų3712%0.12220%0.197CC..EExtended strand (participates in β ladder)trans-102.4-28-173.1-590000113.2K522 L648K522-C661 PolarHBondContact NZ-O 3.15Å; L648-C661 HydrophobicContact CB-CB 4.4Å; L648-C661 PolarHBondContact O-N 3.03Å
662G74.1Confident75.7Confident18 Ų1837.7 Ų37.719%0.18621%0.205CC..EExtended strand (participates in β ladder)trans163.6-154.4-174.300000111.7L648L648-G662 PolarHBondContact N-O 3.21Å
663R71.8Confident73.8Confident49 Ų4938.5 Ų38.519%0.18521%0.209CC..EExtended strand (participates in β ladder)trans-127.2149.9179.3-55.8-15869.8161.39.2111.2P645 G646 D647 L667P645-R663 PolarHBondContact O-NH2 2.85Å; G646-R663 CarbonylContact O-C 3.34Å; G646-R663 VanDerWaalsContact O-CA 3.28Å; G646-R663 WeakPolarHBondContact O-CA 3.27Å; G646-R663 WeakPolarHBondContact O-CB 3.33Å; D647-R663 WeakPolarHBondContact OD1-CD 3.46Å; D647-R663 WeakPolarHBondContact OD1-CG 3.42Å; D647-R663 IonicContact OD1-CZ 2.57Å; D647-R663 VanDerWaalsContact OD1-CZ 3.26Å; D647-R663 IonicContact OD1-NE 2.61Å; D647-R663 PolarHBondContact OD1-NE 3.08Å; D647-R663 IonicContact OD1-NH2 3.25Å; D647-R663 PolarHBondContact OD1-NH2 2.77Å; R663-L667 VanDerWaalsContact CD-O 3.28Å; R663-L667 WeakPolarHBondContact CD-O 3.18Å
664T64.2Low72.4Confident53 Ų5336.4 Ų36.433%0.32519%0.191SC..SBendtrans-87.6-19.5-178.753.40000113.6G646 L648G646-T664 PolarHBondContact O-N 3.44Å; G646-T664 PolarHBondContact O-OG1 3.45Å; L648-T664 HydrophobicContact CD1-CG2 4.06Å; L648-T664 HydrophobicContact CD2-CG2 3.23Å; L648-T664 HydrophobicContact CG-CG2 3.31Å
665N58.2Low71.2Confident34 Ų3428.8 Ų28.818%0.18216%0.155CC..SBendtrans-126.5168.6-167.538.43.8000111.1R606 G646 L667R606-N665 PolarHBondContact NH1-ND2 2.85Å; R606-N665 VanDerWaalsContact NH1-ND2 3.19Å; G646-N665 WeakPolarHBondContact CA-OD1 3.35Å; G646-N665 PolarHBondContact O-OD1 2.98Å; N665-L667 PolarHBondContact O-N 3.11Å
666E51.8Low70Confident77 Ų7727 Ų2736%0.3614%0.143SC..SBendtrans-67.111.8176.9-57.2-177.6165.900114I668 A677 K795E666-I668 WeakPolarHBondContact O-CD1 3.39Å; E666-I668 PolarHBondContact O-N 3.1Å; E666-A677 PolarHBondContact O-N 3.04Å; E666-K795 IonicContact OE1-NZ 2.7Å; E666-K795 PolarHBondContact OE1-NZ 3.01Å
667L53.9Low68.8Low20 Ų2024 Ų2411%0.10513%0.127CC..EExtended strand (participates in β ladder)trans-68.3116.5162.8-102.1131.7000107R663 N665 R674 H676R663-L667 VanDerWaalsContact CD-O 3.28Å; R663-L667 WeakPolarHBondContact CD-O 3.18Å; N665-L667 PolarHBondContact O-N 3.11Å; L667-R674 HydrophobicContact CD2-CB 4.3Å; L667-H676 WeakPolarHBondContact CD1-CE1 3.42Å; L667-H676 WeakPolarHBondContact CD1-NE2 3.45Å; L667-H676 WeakPolarHBondContact CG-CE1 3.38Å; L667-H676 WeakPolarHBondContact CG-NE2 3.44Å
668I63.4Low67.5Low23 Ų2325.9 Ų25.912%0.11814%0.139CC..EExtended strand (participates in β ladder)trans-110.2147.4171.1-52117.8000108.6E666 I670 F675 A677 T716 L725E666-I668 WeakPolarHBondContact O-CD1 3.39Å; E666-I668 PolarHBondContact O-N 3.1Å; I668-I670 HydrophobicContact CB-CG1 4.48Å; I668-I670 HydrophobicContact CG2-CG1 3.93Å; I668-F675 PolarHBondContact N-O 3.37Å; I668-F675 PolarHBondContact O-N 3.29Å; I668-F675 VanDerWaalsContact O-O 3.05Å; I668-A677 HydrophobicContact CD1-CB 3.72Å; I668-T716 HydrophobicContact CB-CG2 3.98Å; I668-T716 HydrophobicContact CD1-CG2 3.34Å; I668-T716 HydrophobicContact CG1-CG2 3.74Å; I668-T716 HydrophobicContact CG2-CG2 3.84Å; I668-L725 HydrophobicContact CG2-CD1 4.05Å
669K61Low66.1Low27 Ų2726.6 Ų26.612%0.11714%0.142CC..EExtended strand (participates in β ladder)trans-97.5114.6162.4-78.3168.6162.4-165.50107G456 I673 R674G456-K669 WeakPolarHBondContact O-CD 3.34Å; G456-K669 WeakPolarHBondContact O-CE 3.32Å; G456-K669 PolarHBondContact O-NZ 2.96Å; K669-I673 WeakPolarHBondContact CA-O 3.42Å; K669-R674 HydrophobicContact CG-CG 4.12Å
670I58.8Low65.3Low12 Ų1226.6 Ų26.66%0.06214%0.142CC..EExtended strand (participates in β ladder)trans-110117.2172.5-60.5178.3000106I668 G672 I673 T716 L727I668-I670 HydrophobicContact CB-CG1 4.48Å; I668-I670 HydrophobicContact CG2-CG1 3.93Å; I670-G672 VanDerWaalsContact C-N 3.25Å; I670-G672 PolarHBondContact O-N 2.87Å; I670-I673 PolarHBondContact N-O 3.33Å; I670-I673 WeakPolarHBondContact O-CB 3.42Å; I670-I673 PolarHBondContact O-N 2.8Å; I670-T716 HydrophobicContact CD1-CG2 3.83Å; I670-T716 HydrophobicContact CG1-CG2 4.37Å; I670-L727 HydrophobicContact CD1-CB 4.12Å; I670-L727 HydrophobicContact CD1-CD1 3.41Å; I670-L727 VanDerWaalsContact CD1-CD1 3.41Å; I670-L727 HydrophobicContact CD1-CG 4.39Å
671N57.9Low64.6Low43 Ų4326.6 Ų26.623%0.2314%0.142CC..THydrogen-bonded Turntrans54.638.7-176.9-60-32.7000113.7I673N671-I673 PolarHBondContact O-N 3.25Å
672G52.6Low64.2Low15 Ų1527.3 Ų27.316%0.15515%0.145CC..THydrogen-bonded Turntrans78.3-2.9-177.400000115.3I670I670-G672 VanDerWaalsContact C-N 3.25Å; I670-G672 PolarHBondContact O-N 2.87Å
673I53.2Low64.2Low27 Ų2726.8 Ų26.814%0.13814%0.138CC..EExtended strand (participates in β ladder)trans-96.8125.6-178.8-57.1175.9000109.2F371 K669 I670 N671 F675 Y773F371-I673 HydrophobicContact CE1-CB 4.47Å; F371-I673 HydrophobicContact CE1-CG1 3.97Å; F371-I673 HydrophobicContact CE1-CG2 4.12Å; F371-I673 HydrophobicContact CZ-CD1 3.82Å; F371-I673 HydrophobicContact CZ-CG1 3.72Å; F371-I673 HydrophobicContact CZ-CG2 4.18Å; K669-I673 WeakPolarHBondContact CA-O 3.42Å; I670-I673 PolarHBondContact N-O 3.33Å; I670-I673 WeakPolarHBondContact O-CB 3.42Å; I670-I673 PolarHBondContact O-N 2.8Å; N671-I673 PolarHBondContact O-N 3.25Å; I673-F675 PolarHBondContact O-N 3.43Å; I673-Y773 HydrophobicContact CD1-CD1 4.3Å; I673-Y773 HydrophobicContact CD1-CD2 3.27Å; I673-Y773 HydrophobicContact CD1-CE1 4.29Å; I673-Y773 HydrophobicContact CD1-CE2 3.31Å; I673-Y773 HydrophobicContact CD1-CG 3.82Å; I673-Y773 HydrophobicContact CG1-CE2 4.45Å; I673-Y773 HydrophobicContact CG2-CE2 3.97Å
674R62Low64.6Low32 Ų3224.6 Ų24.612%0.12113%0.13CC..EExtended strand (participates in β ladder)trans-70.2129.8173.8-71.4179.3175.5-146.9-17.6109.7S312 T484 E486 D647 L667 K669S312-R674 VanDerWaalsContact OG-C 3.28Å; S312-R674 PolarHBondContact OG-O 3.47Å; T484-R674 VanDerWaalsContact CB-CZ 3.48Å; T484-R674 VanDerWaalsContact CB-NH1 3.28Å; T484-R674 VanDerWaalsContact CG2-CZ 3.42Å; E486-R674 IonicContact OE2-NH1 2.75Å; E486-R674 PolarHBondContact OE2-NH1 3.21Å; D647-R674 IonicContact OD2-NH2 3.9Å; L667-R674 HydrophobicContact CD2-CB 4.3Å; K669-R674 HydrophobicContact CG-CG 4.12Å
675F66.1Low65.1Low5 Ų527.2 Ų27.22%0.02214%0.141CC..EExtended strand (participates in β ladder)trans-147.4145.7176.8-173.4-104.8000110.4S312 I668 I673 D679 I680 L727 L770 L774S312-F675 VanDerWaalsContact OG-CA 3.25Å; S312-F675 WeakPolarHBondContact OG-CA 3.33Å; S312-F675 PolarHBondContact OG-N 2.91Å; I668-F675 PolarHBondContact N-O 3.37Å; I668-F675 PolarHBondContact O-N 3.29Å; I668-F675 VanDerWaalsContact O-O 3.05Å; I673-F675 PolarHBondContact O-N 3.43Å; F675-D679 HydrophobicContact CE1-CB 4.42Å; F675-D679 HydrophobicContact CE2-CB 3.75Å; F675-D679 HydrophobicContact CZ-CB 3.63Å; F675-I680 HydrophobicContact CE1-CD1 4.04Å; F675-I680 HydrophobicContact CE1-CG1 3.87Å; F675-I680 HydrophobicContact CZ-CD1 3.5Å; F675-I680 VanDerWaalsContact CZ-CD1 3.5Å; F675-I680 HydrophobicContact CZ-CG1 3.75Å; F675-L727 HydrophobicContact CD1-CD1 3.7Å; F675-L727 HydrophobicContact CD1-CD2 4.3Å; F675-L727 HydrophobicContact CE1-CD1 3.8Å; F675-L727 HydrophobicContact CE1-CD2 3.62Å; F675-L727 HydrophobicContact CE1-CG 4.39Å; F675-L727 HydrophobicContact CZ-CD2 4.36Å; F675-L770 HydrophobicContact CE2-CD2 4.31Å; F675-L774 HydrophobicContact CB-CD2 3.68Å; F675-L774 HydrophobicContact CD1-CD2 4.18Å; F675-L774 HydrophobicContact CD2-CD1 3.42Å; F675-L774 VanDerWaalsContact CD2-CD1 3.42Å; F675-L774 HydrophobicContact CD2-CD2 3.68Å; F675-L774 HydrophobicContact CD2-CG 4.08Å; F675-L774 HydrophobicContact CE2-CD1 3.79Å; F675-L774 HydrophobicContact CE2-CD2 4.36Å; F675-L774 HydrophobicContact CE2-CG 4.46Å; F675-L774 HydrophobicContact CG-CD1 4.21Å; F675-L774 HydrophobicContact CG-CD2 3.56Å; F675-L774 HydrophobicContact CG-CG 4.45Å
676H67.3Low65.8Low12 Ų1227.5 Ų27.56%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-97.4124.9168-91.6-78.3000109.4S314 L667 N678 D679S314-H676 VanDerWaalsContact CA-CD2 3.44Å; S314-H676 WeakPolarHBondContact CA-CD2 3.24Å; S314-H676 WeakPolarHBondContact CA-NE2 3.32Å; S314-H676 VanDerWaalsContact CB-CE1 3.47Å; S314-H676 WeakPolarHBondContact CB-CE1 3.5Å; S314-H676 WeakPolarHBondContact CB-NE2 3.25Å; S314-H676 PolarHBondContact N-CD2 2.81Å; S314-H676 PolarHBondContact N-NE2 2.57Å; L667-H676 WeakPolarHBondContact CD1-CE1 3.42Å; L667-H676 WeakPolarHBondContact CD1-NE2 3.45Å; L667-H676 WeakPolarHBondContact CG-CE1 3.38Å; L667-H676 WeakPolarHBondContact CG-NE2 3.44Å; H676-N678 PolarHBondContact O-N 3.38Å; H676-N678 VanDerWaalsContact O-N 3.16Å; H676-D679 HydrophobicContact CB-CB 4.39Å; H676-D679 VanDerWaalsContact O-CB 3.25Å; H676-D679 WeakPolarHBondContact O-CB 3.44Å; H676-D679 PolarHBondContact O-N 2.94Å
677A68.5Low67Low3 Ų323.9 Ų23.93%0.02512%0.124CC..THydrogen-bonded Turntrans-52.7-41.217600000111.8E666 I668 D679 I680 T714E666-A677 PolarHBondContact O-N 3.04Å; I668-A677 HydrophobicContact CD1-CB 3.72Å; A677-D679 PolarHBondContact O-N 3.05Å; A677-D679 VanDerWaalsContact O-N 3.11Å; A677-I680 PolarHBondContact O-N 3.33Å; A677-I680 VanDerWaalsContact O-N 3.15Å; A677-T714 HydrophobicContact CB-CG2 4.14Å; A677-T714 WeakPolarHBondContact CB-O 3.34Å; A677-T714 WeakPolarHBondContact O-CB 3.39Å; A677-T714 WeakPolarHBondContact O-CG2 3.36Å
678N67.1Low68.1Low63 Ų6324.9 Ų24.934%0.33713%0.127SC..Hα-helixtrans-63.2-13.5177.4-148.531000114.4H676 I680 D681 N682H676-N678 PolarHBondContact O-N 3.38Å; H676-N678 VanDerWaalsContact O-N 3.16Å; N678-I680 PolarHBondContact O-N 3.37Å; N678-D681 PolarHBondContact O-N 3.34Å; N678-D681 PolarHBondContact OD1-OD2 3.4Å; N678-N682 VanDerWaalsContact O-CB 3.3Å; N678-N682 WeakPolarHBondContact O-CB 3.46Å; N678-N682 PolarHBondContact O-N 3.09Å; N678-N682 PolarHBondContact O-ND2 2.86Å
679D69.2Low68.6Low15 Ų1531.3 Ų31.38%0.0816%0.155CC..Hα-helixtrans-64.6-29173.7-75.5-8.8000111.4S312 F675 H676 A677 L683S312-D679 VanDerWaalsContact CB-OD2 3.22Å; S312-D679 WeakPolarHBondContact CB-OD2 3.09Å; F675-D679 HydrophobicContact CE1-CB 4.42Å; F675-D679 HydrophobicContact CE2-CB 3.75Å; F675-D679 HydrophobicContact CZ-CB 3.63Å; H676-D679 HydrophobicContact CB-CB 4.39Å; H676-D679 VanDerWaalsContact O-CB 3.25Å; H676-D679 WeakPolarHBondContact O-CB 3.44Å; H676-D679 PolarHBondContact O-N 2.94Å; A677-D679 PolarHBondContact O-N 3.05Å; A677-D679 VanDerWaalsContact O-N 3.11Å; D679-L683 VanDerWaalsContact O-CB 3.25Å; D679-L683 WeakPolarHBondContact O-CB 3.17Å; D679-L683 PolarHBondContact O-N 3.42Å
680I77.5Confident68.9Low0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-68.9-47.4172.5-55.5-57.4000110.7F675 A677 N678 N682 L683 F684 T714 L727 C729 F766 L770 P776 F778F675-I680 HydrophobicContact CE1-CD1 4.04Å; F675-I680 HydrophobicContact CE1-CG1 3.87Å; F675-I680 HydrophobicContact CZ-CD1 3.5Å; F675-I680 VanDerWaalsContact CZ-CD1 3.5Å; F675-I680 HydrophobicContact CZ-CG1 3.75Å; A677-I680 PolarHBondContact O-N 3.33Å; A677-I680 VanDerWaalsContact O-N 3.15Å; N678-I680 PolarHBondContact O-N 3.37Å; I680-N682 VanDerWaalsContact C-N 3.31Å; I680-N682 PolarHBondContact O-N 3.1Å; I680-L683 WeakPolarHBondContact O-CB 3.49Å; I680-L683 PolarHBondContact O-N 2.69Å; I680-L683 VanDerWaalsContact O-N 3.12Å; I680-F684 HydrophobicContact CG2-CD2 4.46Å; I680-F684 HydrophobicContact CG2-CE2 4.39Å; I680-F684 PolarHBondContact O-N 3.07Å; I680-F684 VanDerWaalsContact O-N 3.09Å; I680-T714 HydrophobicContact CB-CG2 4.05Å; I680-T714 WeakPolarHBondContact CB-OG1 3.44Å; I680-T714 HydrophobicContact CG1-CG2 3.88Å; I680-L727 HydrophobicContact CD1-CD2 3.78Å; I680-L727 HydrophobicContact CG1-CD2 3.37Å; I680-C729 HydrophobicContact CG2-CB 4.18Å; I680-F766 HydrophobicContact CG2-CD1 4.5Å; I680-F766 HydrophobicContact CG2-CE1 4.03Å; I680-L770 HydrophobicContact CD1-CD1 3.13Å; I680-L770 HydrophobicContact CD1-CD2 4.08Å; I680-L770 HydrophobicContact CD1-CG 4.24Å; I680-P776 HydrophobicContact CD1-CG 3.55Å; I680-P776 HydrophobicContact CG1-CG 3.93Å; I680-P776 HydrophobicContact CG2-CG 4.03Å; I680-F778 HydrophobicContact CG2-CE1 4.42Å
681D76.5Confident69.4Low12 Ų1233.7 Ų33.76%0.06417%0.168CC..Hα-helixtrans-63.3-41.9-179.5-57.7-47.2000110.3N678 L683 F684 I685 T712 T714N678-D681 PolarHBondContact O-N 3.34Å; N678-D681 PolarHBondContact OD1-OD2 3.4Å; D681-L683 VanDerWaalsContact C-N 3.34Å; D681-L683 PolarHBondContact O-N 3.38Å; D681-F684 WeakPolarHBondContact O-CB 3.46Å; D681-F684 PolarHBondContact O-N 3.05Å; D681-I685 PolarHBondContact O-N 3.38Å; D681-T712 VanDerWaalsContact OD1-CB 3.27Å; D681-T712 WeakPolarHBondContact OD1-CB 2.95Å; D681-T712 PolarHBondContact OD1-OG1 2.9Å; D681-T714 VanDerWaalsContact CG-OG1 3.31Å; D681-T714 PolarHBondContact OD1-N 3.06Å; D681-T714 PolarHBondContact OD1-OG1 3.17Å; D681-T714 VanDerWaalsContact OD2-CB 3.27Å; D681-T714 WeakPolarHBondContact OD2-CB 3.5Å; D681-T714 PolarHBondContact OD2-N 3Å; D681-T714 PolarHBondContact OD2-OG1 3.41Å
682N73Confident69.7Low34 Ų3439.5 Ų39.518%0.18219%0.192CC..Hα-helixtrans-65.2-34.8173.5-72.1-37.2000112.9N678 I680 I685 E686N678-N682 VanDerWaalsContact O-CB 3.3Å; N678-N682 WeakPolarHBondContact O-CB 3.46Å; N678-N682 PolarHBondContact O-N 3.09Å; N678-N682 PolarHBondContact O-ND2 2.86Å; I680-N682 VanDerWaalsContact C-N 3.31Å; I680-N682 PolarHBondContact O-N 3.1Å; N682-I685 WeakPolarHBondContact O-CB 3.48Å; N682-I685 PolarHBondContact O-N 3.07Å; N682-E686 PolarHBondContact O-N 2.83Å
683L74.4Confident70.2Confident7 Ų742.9 Ų42.94%0.03722%0.218CC..Hα-helixtrans-65.7-39.7176.8-178.662.5000111D679 I680 D681 I685 E686 L687 F766 Y769 L770D679-L683 VanDerWaalsContact O-CB 3.25Å; D679-L683 WeakPolarHBondContact O-CB 3.17Å; D679-L683 PolarHBondContact O-N 3.42Å; I680-L683 WeakPolarHBondContact O-CB 3.49Å; I680-L683 PolarHBondContact O-N 2.69Å; I680-L683 VanDerWaalsContact O-N 3.12Å; D681-L683 VanDerWaalsContact C-N 3.34Å; D681-L683 PolarHBondContact O-N 3.38Å; L683-I685 VanDerWaalsContact C-N 3.27Å; L683-I685 PolarHBondContact O-N 3.04Å; L683-E686 PolarHBondContact O-N 3.07Å; L683-L687 HydrophobicContact CD1-CD1 4.28Å; L683-L687 HydrophobicContact CD1-CD2 4.38Å; L683-L687 HydrophobicContact CD1-CG 4.07Å; L683-L687 HydrophobicContact CG-CD1 4.03Å; L683-L687 HydrophobicContact CG-CG 4.27Å; L683-L687 WeakPolarHBondContact O-CB 3.43Å; L683-L687 WeakPolarHBondContact O-CG 3.39Å; L683-L687 PolarHBondContact O-N 3.39Å; L683-F766 HydrophobicContact CB-CE1 4.19Å; L683-F766 HydrophobicContact CD2-CD1 3.52Å; L683-F766 HydrophobicContact CD2-CE1 3.6Å; L683-F766 HydrophobicContact CD2-CG 4.45Å; L683-F766 HydrophobicContact CG-CD1 4.34Å; L683-F766 HydrophobicContact CG-CE1 3.93Å; L683-Y769 HydrophobicContact CD1-CD1 4.14Å; L683-Y769 HydrophobicContact CD1-CG 4.01Å; L683-Y769 HydrophobicContact CD2-CG 4.31Å; L683-L770 HydrophobicContact CD2-CD1 4.08Å; L683-L770 HydrophobicContact CD2-CD2 4.22Å; L683-L770 HydrophobicContact CD2-CG 3.89Å
684F79.9Confident70.5Confident2 Ų248.2 Ų48.21%0.00924%0.24CC..Hα-helixtrans-54.5-44.9170.1-91.1-79.4000111.9I680 D681 K688 V706 V709 T712 F762 F766 F778I680-F684 HydrophobicContact CG2-CD2 4.46Å; I680-F684 HydrophobicContact CG2-CE2 4.39Å; I680-F684 PolarHBondContact O-N 3.07Å; I680-F684 VanDerWaalsContact O-N 3.09Å; D681-F684 WeakPolarHBondContact O-CB 3.46Å; D681-F684 PolarHBondContact O-N 3.05Å; F684-K688 WeakPolarHBondContact O-CB 3.37Å; F684-K688 VanDerWaalsContact O-CG 3.24Å; F684-K688 WeakPolarHBondContact O-CG 3.33Å; F684-K688 PolarHBondContact O-N 2.84Å; F684-K688 VanDerWaalsContact O-N 3.1Å; F684-V706 HydrophobicContact CD1-CG1 3.71Å; F684-V706 HydrophobicContact CE1-CG1 3.91Å; F684-V706 HydrophobicContact CE1-CG2 4.46Å; F684-V709 HydrophobicContact CD1-CB 4.38Å; F684-V709 HydrophobicContact CD1-CG1 4.31Å; F684-V709 HydrophobicContact CE1-CB 4.14Å; F684-V709 HydrophobicContact CE1-CG1 4.18Å; F684-V709 HydrophobicContact CE1-CG2 3.86Å; F684-T712 HydrophobicContact CD1-CG2 4.4Å; F684-T712 HydrophobicContact CD2-CG2 3.7Å; F684-T712 HydrophobicContact CE2-CG2 3.83Å; F684-T712 HydrophobicContact CG-CG2 4.01Å; F684-T712 HydrophobicContact CZ-CG2 4.28Å; F684-F762 HydrophobicContact CE1-CD1 4.03Å; F684-F762 AromaticContact CE1-CE1 3.73Å; F684-F762 HydrophobicContact CE1-CE1 3.73Å; F684-F762 AromaticContact CZ-CD1 3.85Å; F684-F762 HydrophobicContact CZ-CD1 3.85Å; F684-F762 AromaticContact CZ-CE1 3.86Å; F684-F762 HydrophobicContact CZ-CE1 3.86Å; F684-F766 HydrophobicContact CD1-CE2 4.39Å; F684-F766 AromaticContact CD1-CZ 3.95Å; F684-F766 HydrophobicContact CD1-CZ 3.95Å; F684-F766 AromaticContact CD2-CE1 3.95Å; F684-F766 HydrophobicContact CD2-CE1 3.95Å; F684-F766 HydrophobicContact CD2-CE2 4.39Å; F684-F766 AromaticContact CD2-CZ 3.4Å; F684-F766 HydrophobicContact CD2-CZ 3.4Å; F684-F766 VanDerWaalsContact CD2-CZ 3.4Å; F684-F766 AromaticContact CE1-CE2 3.89Å; F684-F766 HydrophobicContact CE1-CE2 3.89Å; F684-F766 AromaticContact CE1-CZ 3.8Å; F684-F766 HydrophobicContact CE1-CZ 3.8Å; F684-F766 AromaticContact CE2-CE1 3.88Å; F684-F766 HydrophobicContact CE2-CE1 3.88Å; F684-F766 AromaticContact CE2-CE2 3.92Å; F684-F766 HydrophobicContact CE2-CE2 3.92Å; F684-F766 AromaticContact CE2-CZ 3.25Å; F684-F766 HydrophobicContact CE2-CZ 3.25Å; F684-F766 AromaticContact CG-CZ 3.75Å; F684-F766 HydrophobicContact CG-CZ 3.75Å; F684-F766 HydrophobicContact CZ-CE1 4.44Å; F684-F766 AromaticContact CZ-CE2 3.63Å; F684-F766 HydrophobicContact CZ-CE2 3.63Å; F684-F766 AromaticContact CZ-CZ 3.45Å; F684-F766 HydrophobicContact CZ-CZ 3.45Å; F684-F766 VanDerWaalsContact CZ-CZ 3.45Å; F684-F778 HydrophobicContact CE2-CD1 4.43Å; F684-F778 AromaticContact CE2-CE1 3.82Å; F684-F778 HydrophobicContact CE2-CE1 3.82Å; F684-F778 HydrophobicContact CZ-CD1 4.39Å; F684-F778 HydrophobicContact CZ-CE1 4.01Å
685I75.1Confident70.2Confident109 Ų10953.1 Ų53.156%0.55927%0.269SS*.Hα-helixtrans-65.3-45.1179.6-61.3169.1000110.9D681 N682 L683 K688 K689D681-I685 PolarHBondContact O-N 3.38Å; N682-I685 WeakPolarHBondContact O-CB 3.48Å; N682-I685 PolarHBondContact O-N 3.07Å; L683-I685 VanDerWaalsContact C-N 3.27Å; L683-I685 PolarHBondContact O-N 3.04Å; I685-K688 PolarHBondContact O-N 2.79Å; I685-K689 WeakPolarHBondContact O-CB 3.39Å; I685-K689 PolarHBondContact O-N 3.29Å
686E72.2Confident69.7Low39 Ų3957.9 Ų57.918%0.18229%0.292CS..Hα-helixtrans-61.8-46.2179.5-170.4-177.1156.700111.6Q194 N682 L683 K689 N690Q194-E686 PolarHBondContact NE2-OE1 2.97Å; Q194-E686 PolarHBondContact NE2-OE2 3.3Å; Q194-E686 VanDerWaalsContact NE2-OE2 3.15Å; N682-E686 PolarHBondContact O-N 2.83Å; L683-E686 PolarHBondContact O-N 3.07Å; E686-K689 PolarHBondContact O-N 3.22Å; E686-N690 WeakPolarHBondContact O-CB 3.28Å; E686-N690 PolarHBondContact O-N 3.37Å
687L76.5Confident69.1Low1 Ų163.2 Ų63.21%0.00533%0.326CS..Hα-helixtrans-62.2-48.1178.6-68.2176.6000111.8L683 K689 N690 W691 V765 F766 Y769L683-L687 HydrophobicContact CD1-CD1 4.28Å; L683-L687 HydrophobicContact CD1-CD2 4.38Å; L683-L687 HydrophobicContact CD1-CG 4.07Å; L683-L687 HydrophobicContact CG-CD1 4.03Å; L683-L687 HydrophobicContact CG-CG 4.27Å; L683-L687 WeakPolarHBondContact O-CB 3.43Å; L683-L687 WeakPolarHBondContact O-CG 3.39Å; L683-L687 PolarHBondContact O-N 3.39Å; L687-K689 VanDerWaalsContact C-N 3.27Å; L687-K689 PolarHBondContact O-N 3.24Å; L687-N690 PolarHBondContact O-N 3.39Å; L687-W691 HydrophobicContact CB-CE3 4.11Å; L687-W691 HydrophobicContact CB-CH2 3.7Å; L687-W691 HydrophobicContact CB-CZ2 4.13Å; L687-W691 HydrophobicContact CB-CZ3 3.69Å; L687-W691 HydrophobicContact CD1-CH2 3.97Å; L687-W691 HydrophobicContact CD2-CH2 3.99Å; L687-W691 HydrophobicContact CD2-CZ2 3.77Å; L687-W691 HydrophobicContact CG-CH2 4.08Å; L687-W691 HydrophobicContact CG-CZ2 4.35Å; L687-W691 VanDerWaalsContact O-CD2 3.25Å; L687-W691 PolarHBondContact O-N 2.99Å; L687-V765 HydrophobicContact CD1-CG1 4.04Å; L687-F766 HydrophobicContact CD1-CE2 4.3Å; L687-F766 HydrophobicContact CD1-CZ 4.25Å; L687-Y769 HydrophobicContact CD1-CD2 4.34Å; L687-Y769 HydrophobicContact CD1-CE2 4.24Å; L687-Y769 HydrophobicContact CD2-CD1 4.32Å; L687-Y769 HydrophobicContact CD2-CD2 4.05Å; L687-Y769 HydrophobicContact CD2-CE1 3.73Å; L687-Y769 HydrophobicContact CD2-CE2 3.42Å; L687-Y769 VanDerWaalsContact CD2-CE2 3.42Å; L687-Y769 HydrophobicContact CD2-CG 4.47Å; L687-Y769 WeakPolarHBondContact CD2-OH 3.35Å; L687-Y769 HydrophobicContact CG-CE2 4.46Å
688K77.3Confident68.6Low41 Ų4169.8 Ų69.818%0.17836%0.361CS..Hα-helixtrans-56.2-41.8174.5-74.3172.4177.5175.10111.9F684 I685 K692 V706 V709 S710F684-K688 WeakPolarHBondContact O-CB 3.37Å; F684-K688 VanDerWaalsContact O-CG 3.24Å; F684-K688 WeakPolarHBondContact O-CG 3.33Å; F684-K688 PolarHBondContact O-N 2.84Å; F684-K688 VanDerWaalsContact O-N 3.1Å; I685-K688 PolarHBondContact O-N 2.79Å; K688-K692 WeakPolarHBondContact O-CG 3.42Å; K688-K692 PolarHBondContact O-N 3.1Å; K688-V706 WeakPolarHBondContact CE-O 3.4Å; K688-V709 WeakPolarHBondContact CE-O 3.27Å; K688-V709 PolarHBondContact NZ-O 3.02Å; K688-S710 PolarHBondContact NZ-O 2.88Å
689K74Confident68.2Low159 Ų15967.9 Ų67.969%0.69135%0.352SS*.Hα-helixtrans-67.6-47.6-179.9-171178.6179.6-179.30111.8I685 E686 L687 W691 K692 A693I685-K689 WeakPolarHBondContact O-CB 3.39Å; I685-K689 PolarHBondContact O-N 3.29Å; E686-K689 PolarHBondContact O-N 3.22Å; L687-K689 VanDerWaalsContact C-N 3.27Å; L687-K689 PolarHBondContact O-N 3.24Å; K689-W691 VanDerWaalsContact C-N 3.28Å; K689-W691 PolarHBondContact O-N 3.21Å; K689-K692 PolarHBondContact O-N 3.44Å; K689-A693 PolarHBondContact O-N 3.44Å
690N67.6Low68.1Low82 Ų8270.5 Ų70.544%0.43937%0.369SS..Hα-helixtrans-63.4-34.2-179.7-73.4-16.6000112.1E686 L687 A693E686-N690 WeakPolarHBondContact O-CB 3.28Å; E686-N690 PolarHBondContact O-N 3.37Å; L687-N690 PolarHBondContact O-N 3.39Å; N690-A693 WeakPolarHBondContact O-CB 3.38Å; N690-A693 PolarHBondContact O-N 3.22Å
691W68.8Low68Low7 Ų776.7 Ų76.73%0.02739%0.392CS..Hα-helixtrans-84.6-29.9-179.6-62.4-38.9000114.6L687 K689 A693 K694 E703 V706 V765L687-W691 HydrophobicContact CB-CE3 4.11Å; L687-W691 HydrophobicContact CB-CH2 3.7Å; L687-W691 HydrophobicContact CB-CZ2 4.13Å; L687-W691 HydrophobicContact CB-CZ3 3.69Å; L687-W691 HydrophobicContact CD1-CH2 3.97Å; L687-W691 HydrophobicContact CD2-CH2 3.99Å; L687-W691 HydrophobicContact CD2-CZ2 3.77Å; L687-W691 HydrophobicContact CG-CH2 4.08Å; L687-W691 HydrophobicContact CG-CZ2 4.35Å; L687-W691 VanDerWaalsContact O-CD2 3.25Å; L687-W691 PolarHBondContact O-N 2.99Å; K689-W691 VanDerWaalsContact C-N 3.28Å; K689-W691 PolarHBondContact O-N 3.21Å; W691-A693 PolarHBondContact O-N 3.47Å; W691-K694 PolarHBondContact O-N 3.33Å; W691-E703 HydrophobicContact CD2-CB 4.22Å; W691-E703 HydrophobicContact CD2-CG 4.37Å; W691-E703 VanDerWaalsContact CE2-OE1 3.26Å; W691-E703 HydrophobicContact CE3-CB 4.12Å; W691-E703 HydrophobicContact CH2-CB 3.85Å; W691-E703 HydrophobicContact CH2-CG 3.58Å; W691-E703 HydrophobicContact CZ2-CB 3.97Å; W691-E703 HydrophobicContact CZ2-CG 3.35Å; W691-E703 WeakPolarHBondContact CZ2-OE1 3.24Å; W691-E703 HydrophobicContact CZ3-CB 3.92Å; W691-E703 HydrophobicContact CZ3-CG 4.18Å; W691-E703 PolarHBondContact NE1-OE1 3.18Å; W691-V706 HydrophobicContact CH2-CB 4.47Å; W691-V706 HydrophobicContact CH2-CG1 4.47Å; W691-V706 HydrophobicContact CZ3-CB 3.79Å; W691-V706 HydrophobicContact CZ3-CG1 3.75Å; W691-V706 HydrophobicContact CZ3-CG2 4.34Å; W691-V765 HydrophobicContact CH2-CG1 3.94Å
692K65.9Low67.7Low165 Ų16579.3 Ų79.372%0.71740%0.404SS*.Hα-helixtrans-56.1-34165.6-81.7-176.2178-176.70111.4K688 K689 K694K688-K692 WeakPolarHBondContact O-CG 3.42Å; K688-K692 PolarHBondContact O-N 3.1Å; K689-K692 PolarHBondContact O-N 3.44Å; K692-K694 VanDerWaalsContact C-N 3.33Å
693A62.7Low67.4Low86 Ų8679.2 Ų79.271%0.71140%0.402SS*.THydrogen-bonded Turntrans-73.5-18.5175.100000114.3K689 N690 W691K689-A693 PolarHBondContact O-N 3.44Å; N690-A693 WeakPolarHBondContact O-CB 3.38Å; N690-A693 PolarHBondContact O-N 3.22Å; W691-A693 PolarHBondContact O-N 3.47Å
694K58.2Low67.3Low138 Ų13882.3 Ų82.360%0.642%0.418SS*.THydrogen-bonded Turntrans-91.412.9-179.9-82.3-169.7176.5-178.80114.9W691 K692 M696W691-K694 PolarHBondContact O-N 3.33Å; K692-K694 VanDerWaalsContact C-N 3.33Å; K694-M696 PolarHBondContact O-N 2.86Å
695N56.1Low67.2Low136 Ų13682.6 Ų82.673%0.72742%0.42SS*.THydrogen-bonded Turntrans59.528.3177.1-90.5-3.4000116.6T697N695-T697 PolarHBondContact O-N 3.35Å; N695-T697 PolarHBondContact O-OG1 3.22Å
696M55.7Low67.3Low104 Ų10477.4 Ų77.451%0.51239%0.393SS..SBendtrans50.3-21.3174.8-69.2-168.785.800119.3K694 N698 C699 L704K694-M696 PolarHBondContact O-N 2.86Å; M696-N698 VanDerWaalsContact C-N 3.27Å; M696-N698 PolarHBondContact O-N 2.94Å; M696-C699 PolarHBondContact O-N 3.43Å; M696-L704 HydrophobicContact CE-CD2 3.77Å
697T54.1Low67.5Low124 Ų12477.3 Ų77.376%0.76139%0.394SS*.THydrogen-bonded Turntrans-76-12.8-172.552.70000113.7N695N695-T697 PolarHBondContact O-N 3.35Å; N695-T697 PolarHBondContact O-OG1 3.22Å
698N58.5Low67.8Low142 Ų14281.3 Ų81.376%0.75941%0.412SS*.THydrogen-bonded Turntrans-116.518.3179.3-80.2-2.5000113.4M696M696-N698 VanDerWaalsContact C-N 3.27Å; M696-N698 PolarHBondContact O-N 2.94Å
699C59.4Low68Low22 Ų2279.4 Ų79.415%0.14940%0.403CS..  trans-83.7137.6176.1-72.30000111.1M696 E703 L704M696-C699 PolarHBondContact O-N 3.43Å; C699-E703 WeakPolarHBondContact CA-OE2 3.09Å; C699-E703 HydrophobicContact CB-CB 4.11Å; C699-L704 HydrophobicContact CB-CD2 4.09Å; C699-L704 HydrophobicContact CB-CG 4.02Å
700T67.4Low68.3Low71 Ų7173.7 Ų73.744%0.43638%0.384SS..  trans-65.9162168.657.80000110.9E702 E703 L704T700-E702 PolarHBondContact O-N 3.14Å; T700-E703 PolarHBondContact N-OE2 3.26Å; T700-E703 PolarHBondContact O-N 2.97Å; T700-E703 VanDerWaalsContact O-N 3.16Å; T700-E703 VanDerWaalsContact OG1-CD 3.26Å; T700-E703 WeakPolarHBondContact OG1-CG 3.39Å; T700-E703 PolarHBondContact OG1-N 3.21Å; T700-E703 PolarHBondContact OG1-OE2 3.43Å; T700-L704 PolarHBondContact O-N 2.91Å
701R75.2Confident68.9Low130 Ų13075 Ų7549%0.49139%0.387SS..Hα-helixtrans-54.7-44.9179.5171.6-175.6158.2118.24.9110.7E703 L704 L705 E754 D755R701-E703 VanDerWaalsContact C-N 3.34Å; R701-E703 PolarHBondContact O-N 3.28Å; R701-L704 WeakPolarHBondContact O-CB 3.48Å; R701-L704 PolarHBondContact O-N 3.15Å; R701-L705 HydrophobicContact CG-CD1 4.35Å; R701-L705 WeakPolarHBondContact O-CG 3.33Å; R701-L705 PolarHBondContact O-N 2.72Å; R701-L705 VanDerWaalsContact O-N 3.08Å; R701-E754 PolarHBondContact NH2-O 3.39Å; R701-D755 IonicContact NH1-OD1 2.81Å
702E69.7Low69.8Low66 Ų6675.9 Ų75.931%0.30839%0.393SS..Hα-helixtrans-67.6-34.9-177.4-56.375.8-166.600111.4T700 L705 V706 V765T700-E702 PolarHBondContact O-N 3.14Å; E702-L705 WeakPolarHBondContact O-CB 3.22Å; E702-L705 PolarHBondContact O-N 2.9Å; E702-V706 PolarHBondContact O-N 3.45Å; E702-V765 HydrophobicContact CB-CG2 3.5Å
703E67.5Low70.7Confident33 Ų3368.9 Ų68.915%0.15436%0.364CS..Hα-helixtrans-68.8-37.6173.3-67.6174.813300112.4W691 C699 T700 R701 L705 V706W691-E703 HydrophobicContact CD2-CB 4.22Å; W691-E703 HydrophobicContact CD2-CG 4.37Å; W691-E703 VanDerWaalsContact CE2-OE1 3.26Å; W691-E703 HydrophobicContact CE3-CB 4.12Å; W691-E703 HydrophobicContact CH2-CB 3.85Å; W691-E703 HydrophobicContact CH2-CG 3.58Å; W691-E703 HydrophobicContact CZ2-CB 3.97Å; W691-E703 HydrophobicContact CZ2-CG 3.35Å; W691-E703 WeakPolarHBondContact CZ2-OE1 3.24Å; W691-E703 HydrophobicContact CZ3-CB 3.92Å; W691-E703 HydrophobicContact CZ3-CG 4.18Å; W691-E703 PolarHBondContact NE1-OE1 3.18Å; C699-E703 WeakPolarHBondContact CA-OE2 3.09Å; C699-E703 HydrophobicContact CB-CB 4.11Å; T700-E703 PolarHBondContact N-OE2 3.26Å; T700-E703 PolarHBondContact O-N 2.97Å; T700-E703 VanDerWaalsContact O-N 3.16Å; T700-E703 VanDerWaalsContact OG1-CD 3.26Å; T700-E703 WeakPolarHBondContact OG1-CG 3.39Å; T700-E703 PolarHBondContact OG1-N 3.21Å; T700-E703 PolarHBondContact OG1-OE2 3.43Å; R701-E703 VanDerWaalsContact C-N 3.34Å; R701-E703 PolarHBondContact O-N 3.28Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 2.8Å; E703-V706 PolarHBondContact O-N 2.94Å
704L72.1Confident71.7Confident71 Ų7165 Ų6537%0.37233%0.332SS..Hα-helixtrans-64.5-34.9173.9-71.4169000111.9M696 C699 T700 R701 N707M696-L704 HydrophobicContact CE-CD2 3.77Å; C699-L704 HydrophobicContact CB-CD2 4.09Å; C699-L704 HydrophobicContact CB-CG 4.02Å; T700-L704 PolarHBondContact O-N 2.91Å; R701-L704 WeakPolarHBondContact O-CB 3.48Å; R701-L704 PolarHBondContact O-N 3.15Å; L704-N707 WeakPolarHBondContact O-CB 3.33Å; L704-N707 PolarHBondContact O-N 2.82Å
705L77.6Confident72.7Confident8 Ų858.8 Ų58.84%0.04231%0.305CS..Hα-helixtrans-65.4-36.4178-79.3177.4000112.6R701 E702 E703 N707 K708 D755 P757 D761R701-L705 HydrophobicContact CG-CD1 4.35Å; R701-L705 WeakPolarHBondContact O-CG 3.33Å; R701-L705 PolarHBondContact O-N 2.72Å; R701-L705 VanDerWaalsContact O-N 3.08Å; E702-L705 WeakPolarHBondContact O-CB 3.22Å; E702-L705 PolarHBondContact O-N 2.9Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 2.8Å; L705-N707 VanDerWaalsContact C-N 3.27Å; L705-N707 PolarHBondContact O-N 2.79Å; L705-K708 HydrophobicContact CD2-CD 4.26Å; L705-K708 WeakPolarHBondContact O-CB 3.5Å; L705-K708 PolarHBondContact O-N 3.23Å; L705-K708 VanDerWaalsContact O-N 3.1Å; L705-D755 WeakPolarHBondContact CD2-O 3.49Å; L705-P757 HydrophobicContact CB-CB 4.05Å; L705-P757 HydrophobicContact CD1-CB 4.5Å; L705-P757 HydrophobicContact CD2-CB 4.05Å; L705-P757 HydrophobicContact CG-CB 4.42Å; L705-D761 HydrophobicContact CD1-CB 3.84Å
706V76.7Confident73.6Confident0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-63.5-31173.7170.40000112.5F684 K688 W691 E702 E703 K708 V709 F762 V765 F766F684-V706 HydrophobicContact CD1-CG1 3.71Å; F684-V706 HydrophobicContact CE1-CG1 3.91Å; F684-V706 HydrophobicContact CE1-CG2 4.46Å; K688-V706 WeakPolarHBondContact CE-O 3.4Å; W691-V706 HydrophobicContact CH2-CB 4.47Å; W691-V706 HydrophobicContact CH2-CG1 4.47Å; W691-V706 HydrophobicContact CZ3-CB 3.79Å; W691-V706 HydrophobicContact CZ3-CG1 3.75Å; W691-V706 HydrophobicContact CZ3-CG2 4.34Å; E702-V706 PolarHBondContact O-N 3.45Å; E703-V706 PolarHBondContact O-N 2.94Å; V706-K708 VanDerWaalsContact C-N 3.25Å; V706-K708 PolarHBondContact O-N 3.46Å; V706-V709 WeakPolarHBondContact O-CB 3.25Å; V706-V709 PolarHBondContact O-N 2.79Å; V706-F762 HydrophobicContact CG2-CD1 4.03Å; V706-F762 HydrophobicContact CG2-CE1 4.02Å; V706-V765 HydrophobicContact CG2-CB 4.39Å; V706-V765 HydrophobicContact CG2-CG1 4.19Å; V706-V765 HydrophobicContact CG2-CG2 4.15Å; V706-F766 HydrophobicContact CG2-CE2 4.39Å
707N77.5Confident74.5Confident37 Ų3748.5 Ų48.520%0.19825%0.253CS..Hα-helixtrans-69.8-20.4174.9-78.9-33000113.3L704 L705 V709L704-N707 WeakPolarHBondContact O-CB 3.33Å; L704-N707 PolarHBondContact O-N 2.82Å; L705-N707 VanDerWaalsContact C-N 3.27Å; L705-N707 PolarHBondContact O-N 2.79Å; N707-V709 VanDerWaalsContact C-N 3.28Å
708K81.1Confident75.1Confident86 Ų8647 Ų4737%0.37424%0.237SC..THydrogen-bonded Turntrans-74.7-18.4175.5-63.4-170.4179.7-1770112.9L705 V706 S710 L733 H734 D755L705-K708 HydrophobicContact CD2-CD 4.26Å; L705-K708 WeakPolarHBondContact O-CB 3.5Å; L705-K708 PolarHBondContact O-N 3.23Å; L705-K708 VanDerWaalsContact O-N 3.1Å; V706-K708 VanDerWaalsContact C-N 3.25Å; V706-K708 PolarHBondContact O-N 3.46Å; K708-S710 PolarHBondContact O-N 3.12Å; K708-L733 HydrophobicContact CB-CD2 4.1Å; K708-L733 WeakPolarHBondContact O-CA 3.38Å; K708-H734 PolarHBondContact O-N 3.36Å; K708-D755 PolarHBondContact NZ-O 3.49Å
709V82.6Confident75.2Confident1 Ų140.8 Ų40.81%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-70.8128176.1178.30000108.9F684 K688 V706 N707 T712 Y731 V732 L733 F762F684-V709 HydrophobicContact CD1-CB 4.38Å; F684-V709 HydrophobicContact CD1-CG1 4.31Å; F684-V709 HydrophobicContact CE1-CB 4.14Å; F684-V709 HydrophobicContact CE1-CG1 4.18Å; F684-V709 HydrophobicContact CE1-CG2 3.86Å; K688-V709 WeakPolarHBondContact CE-O 3.27Å; K688-V709 PolarHBondContact NZ-O 3.02Å; V706-V709 WeakPolarHBondContact O-CB 3.25Å; V706-V709 PolarHBondContact O-N 2.79Å; N707-V709 VanDerWaalsContact C-N 3.28Å; V709-T712 HydrophobicContact CG1-CG2 3.48Å; V709-T712 VanDerWaalsContact CG1-CG2 3.48Å; V709-Y731 HydrophobicContact CG2-CD2 4.13Å; V709-V732 CarbonylContact C-O 3.56Å; V709-V732 WeakPolarHBondContact CA-O 3.35Å; V709-L733 HydrophobicContact CG2-CD2 4.18Å; V709-F762 HydrophobicContact CG2-CE1 3.65Å; V709-F762 HydrophobicContact CG2-CZ 3.39Å
710S79.3Confident74.8Confident39 Ų3941.1 Ų41.127%0.27321%0.206SC..EExtended strand (participates in β ladder)trans-87.7-59174.953.70000110.4K688 K708 V732K688-S710 PolarHBondContact NZ-O 2.88Å; K708-S710 PolarHBondContact O-N 3.12Å; S710-V732 PolarHBondContact N-O 3.36Å; S710-V732 WeakPolarHBondContact OG-CB 3.23Å; S710-V732 WeakPolarHBondContact OG-CG1 3.5Å; S710-V732 PolarHBondContact OG-O 3.38Å
711E81.9Confident73.9Confident109 Ų10940.6 Ų40.651%0.50920%0.198SC..EExtended strand (participates in β ladder)trans-130.1151.4-172.8-56.5-176.516600111.3Y731 V732 I784E711-Y731 WeakPolarHBondContact O-CA 3.3Å; E711-V732 HydrophobicContact CB-CB 4.46Å; E711-V732 PolarHBondContact O-N 3.06Å; E711-I784 HydrophobicContact CB-CD1 3.56Å; E711-I784 HydrophobicContact CB-CG1 4.21Å
712T87.5Confident72.5Confident26 Ų2636.4 Ų36.416%0.1620%0.195CC..EExtended strand (participates in β ladder)trans-138.9147.5174.566.50000111.5D681 F684 V709 F730D681-T712 VanDerWaalsContact OD1-CB 3.27Å; D681-T712 WeakPolarHBondContact OD1-CB 2.95Å; D681-T712 PolarHBondContact OD1-OG1 2.9Å; F684-T712 HydrophobicContact CD1-CG2 4.4Å; F684-T712 HydrophobicContact CD2-CG2 3.7Å; F684-T712 HydrophobicContact CE2-CG2 3.83Å; F684-T712 HydrophobicContact CG-CG2 4.01Å; F684-T712 HydrophobicContact CZ-CG2 4.28Å; V709-T712 HydrophobicContact CG1-CG2 3.48Å; V709-T712 VanDerWaalsContact CG1-CG2 3.48Å; T712-F730 CarbonylContact C-O 3.57Å; T712-F730 VanDerWaalsContact CA-O 3.23Å; T712-F730 WeakPolarHBondContact CA-O 3.45Å
713V83.4Confident71.6Confident18 Ų1839.6 Ų39.611%0.10920%0.204CC..EExtended strand (participates in β ladder)trans-134.6121.2166.61580000108.2L715 F730 I784 V793 L798V713-L715 HydrophobicContact CG1-CD1 4.3Å; V713-L715 HydrophobicContact CG1-CD2 4.07Å; V713-L715 HydrophobicContact CG1-CG 3.89Å; V713-F730 PolarHBondContact N-O 3.2Å; V713-F730 PolarHBondContact O-N 2.62Å; V713-I784 HydrophobicContact CB-CD1 4.26Å; V713-I784 HydrophobicContact CG2-CD1 3.71Å; V713-I784 HydrophobicContact CG2-CG2 3.92Å; V713-V793 HydrophobicContact CG1-CG1 4.08Å; V713-V793 HydrophobicContact CG2-CG1 3.98Å; V713-V793 HydrophobicContact CG2-CG2 3.93Å; V713-L798 HydrophobicContact CB-CD1 4.35Å; V713-L798 HydrophobicContact CG1-CD1 3.71Å
714T83.7Confident71.2Confident4 Ų438.8 Ų38.83%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-102.2131.8176.1-56.60000111.1A677 I680 D681 L727 V728 C729A677-T714 HydrophobicContact CB-CG2 4.14Å; A677-T714 WeakPolarHBondContact CB-O 3.34Å; A677-T714 WeakPolarHBondContact O-CB 3.39Å; A677-T714 WeakPolarHBondContact O-CG2 3.36Å; I680-T714 HydrophobicContact CB-CG2 4.05Å; I680-T714 WeakPolarHBondContact CB-OG1 3.44Å; I680-T714 HydrophobicContact CG1-CG2 3.88Å; D681-T714 VanDerWaalsContact CG-OG1 3.31Å; D681-T714 PolarHBondContact OD1-N 3.06Å; D681-T714 PolarHBondContact OD1-OG1 3.17Å; D681-T714 VanDerWaalsContact OD2-CB 3.27Å; D681-T714 WeakPolarHBondContact OD2-CB 3.5Å; D681-T714 PolarHBondContact OD2-N 3Å; D681-T714 PolarHBondContact OD2-OG1 3.41Å; T714-L727 HydrophobicContact CG2-CD1 4.47Å; T714-L727 HydrophobicContact CG2-CD2 3.76Å; T714-L727 HydrophobicContact CG2-CG 3.8Å; T714-V728 WeakPolarHBondContact CA-O 3.48Å; T714-C729 HydrophobicContact CG2-CB 4.38Å; T714-C729 PolarHBondContact OG1-SG 2.88Å; T714-C729 VanDerWaalsContact OG1-SG 3.35Å
715L79.4Confident70.9Confident7 Ų738.7 Ų38.74%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-130.6155.1179.8-60175.6000110.5V713 I717 V728 F730 K795 L798V713-L715 HydrophobicContact CG1-CD1 4.3Å; V713-L715 HydrophobicContact CG1-CD2 4.07Å; V713-L715 HydrophobicContact CG1-CG 3.89Å; L715-I717 HydrophobicContact CB-CG1 4.39Å; L715-V728 PolarHBondContact N-O 2.86Å; L715-V728 PolarHBondContact O-N 3.38Å; L715-F730 HydrophobicContact CD1-CD2 4.42Å; L715-F730 HydrophobicContact CD1-CE2 4.05Å; L715-K795 HydrophobicContact CD1-CB 4.04Å; L715-K795 HydrophobicContact CD1-CG 4.31Å; L715-K795 HydrophobicContact CD2-CB 4.06Å; L715-K795 HydrophobicContact CD2-CD 3.54Å; L715-K795 HydrophobicContact CD2-CG 3.67Å; L715-L798 HydrophobicContact CD1-CB 3.65Å; L715-L798 HydrophobicContact CD1-CD1 3.79Å; L715-L798 HydrophobicContact CD1-CG 4.38Å
716T75.1Confident70.7Confident23 Ų2339.6 Ų39.614%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-90.6124.5160.746.90000110.2I668 I670 K726 L727I668-T716 HydrophobicContact CB-CG2 3.98Å; I668-T716 HydrophobicContact CD1-CG2 3.34Å; I668-T716 HydrophobicContact CG1-CG2 3.74Å; I668-T716 HydrophobicContact CG2-CG2 3.84Å; I670-T716 HydrophobicContact CD1-CG2 3.83Å; I670-T716 HydrophobicContact CG1-CG2 4.37Å; T716-K726 CarbonylContact C-O 3.28Å; T716-K726 VanDerWaalsContact CA-O 3.28Å; T716-K726 WeakPolarHBondContact CA-O 3.45Å; T716-L727 HydrophobicContact CG2-CD1 3.83Å
717I74Confident70.8Confident1 Ų140 Ų401%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-113.7130.3178.1-53.2-170.4000107.2L715 T719 K726 V728 F730 R799 Y802 Y803L715-I717 HydrophobicContact CB-CG1 4.39Å; I717-T719 PolarHBondContact O-N 3.37Å; I717-K726 PolarHBondContact N-O 2.79Å; I717-K726 PolarHBondContact O-N 3.42Å; I717-V728 HydrophobicContact CB-CG2 4Å; I717-V728 HydrophobicContact CD1-CB 3.73Å; I717-V728 HydrophobicContact CD1-CG1 3.98Å; I717-V728 HydrophobicContact CD1-CG2 3.77Å; I717-V728 HydrophobicContact CG1-CB 4.01Å; I717-V728 HydrophobicContact CG1-CG2 3.86Å; I717-F730 HydrophobicContact CD1-CE2 3.84Å; I717-F730 HydrophobicContact CD1-CZ 3.66Å; I717-R799 HydrophobicContact CG1-CG 4.36Å; I717-Y802 HydrophobicContact CB-CD1 4.44Å; I717-Y802 VanDerWaalsContact CD1-CB 3.46Å; I717-Y802 HydrophobicContact CD1-CD1 4.18Å; I717-Y802 HydrophobicContact CD1-CD2 3.82Å; I717-Y802 HydrophobicContact CD1-CG 3.55Å; I717-Y802 HydrophobicContact CG2-CD1 3.56Å; I717-Y802 HydrophobicContact CG2-CE1 3.98Å; I717-Y802 HydrophobicContact CG2-CG 4.03Å; I717-Y803 HydrophobicContact CG2-CE1 3.76Å
718Q67.7Low71.1Confident93 Ų9338.2 Ų38.244%0.43520%0.197SC..EExtended strand (participates in β ladder)trans-69128.7173.8-164.4159.8100107G722 L725 Y803Q718-G722 PolarHBondContact NE2-O 3.12Å; Q718-L725 HydrophobicContact CB-CD2 4.21Å; Q718-Y803 VanDerWaalsContact O-CE1 3.23Å; Q718-Y803 WeakPolarHBondContact O-CE1 3.25Å; Q718-Y803 PolarHBondContact O-OH 3.49Å; Q718-Y803 VanDerWaalsContact O-OH 3.11Å
719T59.9Low71.4Confident11 Ų1134.1 Ų34.17%0.06718%0.179CC..  trans-55.4148.4177.247.40000109.9I717 H721 G722 D724 K726I717-T719 PolarHBondContact O-N 3.37Å; T719-H721 PolarHBondContact O-N 2.95Å; T719-G722 WeakPolarHBondContact O-CA 3.45Å; T719-G722 PolarHBondContact O-N 3.49Å; T719-D724 WeakPolarHBondContact CB-O 3.29Å; T719-D724 WeakPolarHBondContact CG2-O 3.38Å; T719-D724 PolarHBondContact N-O 3.29Å; T719-D724 PolarHBondContact OG1-N 3.23Å; T719-D724 PolarHBondContact OG1-O 2.87Å; T719-K726 HydrophobicContact CG2-CB 4.33Å; T719-K726 HydrophobicContact CG2-CD 3.72Å; T719-K726 HydrophobicContact CG2-CG 3.7Å
720V50.9Low71.7Confident30 Ų3034 Ų3418%0.18218%0.179CC..THydrogen-bonded Turntrans-30.9-32.7168.7163.90000113.9H807V720-H807 WeakPolarHBondContact CA-NE2 3.3Å; V720-H807 WeakPolarHBondContact CB-NE2 3.23Å; V720-H807 WeakPolarHBondContact CG1-CE1 3.45Å; V720-H807 WeakPolarHBondContact CG1-NE2 3.29Å; V720-H807 WeakPolarHBondContact CG2-NE2 3.37Å; V720-H807 PolarHBondContact O-NE2 3.46Å
721H49.8Very low72.2Confident60 Ų6032.7 Ų32.728%0.27817%0.168SC..THydrogen-bonded Turntrans-96.85.8-177-57.4-11.1000114.7T719 R723 L865T719-H721 PolarHBondContact O-N 2.95Å; H721-R723 VanDerWaalsContact C-N 3.27Å; H721-R723 PolarHBondContact O-N 3.37Å; H721-L865 PolarHBondContact CE1-O 3.25Å; H721-L865 PolarHBondContact NE2-O 3Å
722G46.3Very low72.3Confident41 Ų4128.1 Ų28.142%0.42315%0.147SC..SBendtrans71.87.4173.600000115.8Q718 T719Q718-G722 PolarHBondContact NE2-O 3.12Å; T719-G722 WeakPolarHBondContact O-CA 3.45Å; T719-G722 PolarHBondContact O-N 3.49Å
723R50.5Low72Confident134 Ų13428.1 Ų28.151%0.50615%0.146SC..SBendtrans-107-37.3-167.5-71.1175.3-168.71801.6114.6H721H721-R723 VanDerWaalsContact C-N 3.27Å; H721-R723 PolarHBondContact O-N 3.37Å
724D58Low71.4Confident15 Ų1533.4 Ų33.48%0.0817%0.169CC..  trans-129.2141.4-170.8-59.9-60.9000110.7T719 D891T719-D724 WeakPolarHBondContact CB-O 3.29Å; T719-D724 WeakPolarHBondContact CG2-O 3.38Å; T719-D724 PolarHBondContact N-O 3.29Å; T719-D724 PolarHBondContact OG1-N 3.23Å; T719-D724 PolarHBondContact OG1-O 2.87Å; D724-D891 WeakPolarHBondContact CB-OD2 3.35Å
725L67Low70.1Confident70 Ų7040.1 Ų40.137%0.36620%0.202SC..EExtended strand (participates in β ladder)trans-87.6127.4176.4-72.7165.8000109.3I668 Q718I668-L725 HydrophobicContact CG2-CD1 4.05Å; Q718-L725 HydrophobicContact CB-CD2 4.21Å
726K72.8Confident68.5Low26 Ų2646.5 Ų46.511%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-108.3150.6170.8-82.5-172.5179.1-179.60111.2T716 I717 T719 Y886 G889 G890T716-K726 CarbonylContact C-O 3.28Å; T716-K726 VanDerWaalsContact CA-O 3.28Å; T716-K726 WeakPolarHBondContact CA-O 3.45Å; I717-K726 PolarHBondContact N-O 2.79Å; I717-K726 PolarHBondContact O-N 3.42Å; T719-K726 HydrophobicContact CG2-CB 4.33Å; T719-K726 HydrophobicContact CG2-CD 3.72Å; T719-K726 HydrophobicContact CG2-CG 3.7Å; K726-Y886 PolarHBondContact NZ-O 3.41Å; K726-G889 PolarHBondContact NZ-O 2.93Å; K726-G890 VanDerWaalsContact CE-O 3.3Å; K726-G890 WeakPolarHBondContact CE-O 3.44Å; K726-G890 PolarHBondContact NZ-O 2.9Å
727L78.2Confident66.6Low8 Ų854.1 Ų54.14%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-86.9123.6172.6-146.793.9000109.3I670 F675 I680 T714 T716 P776 T777I670-L727 HydrophobicContact CD1-CB 4.12Å; I670-L727 HydrophobicContact CD1-CD1 3.41Å; I670-L727 VanDerWaalsContact CD1-CD1 3.41Å; I670-L727 HydrophobicContact CD1-CG 4.39Å; F675-L727 HydrophobicContact CD1-CD1 3.7Å; F675-L727 HydrophobicContact CD1-CD2 4.3Å; F675-L727 HydrophobicContact CE1-CD1 3.8Å; F675-L727 HydrophobicContact CE1-CD2 3.62Å; F675-L727 HydrophobicContact CE1-CG 4.39Å; F675-L727 HydrophobicContact CZ-CD2 4.36Å; I680-L727 HydrophobicContact CD1-CD2 3.78Å; I680-L727 HydrophobicContact CG1-CD2 3.37Å; T714-L727 HydrophobicContact CG2-CD1 4.47Å; T714-L727 HydrophobicContact CG2-CD2 3.76Å; T714-L727 HydrophobicContact CG2-CG 3.8Å; T716-L727 HydrophobicContact CG2-CD1 3.83Å; L727-P776 HydrophobicContact CD2-CB 4.07Å; L727-P776 HydrophobicContact CD2-CG 3.95Å; L727-P776 WeakPolarHBondContact O-CA 3.33Å; L727-T777 PolarHBondContact O-N 2.85Å
728V84.3Confident64.7Low0 Ų061.1 Ų61.10%031%0.307CS..EExtended strand (participates in β ladder)trans-125.4121.3179.9-176.50000108.6T714 L715 I717 F730 T777 I779 Y802T714-V728 WeakPolarHBondContact CA-O 3.48Å; L715-V728 PolarHBondContact N-O 2.86Å; L715-V728 PolarHBondContact O-N 3.38Å; I717-V728 HydrophobicContact CB-CG2 4Å; I717-V728 HydrophobicContact CD1-CB 3.73Å; I717-V728 HydrophobicContact CD1-CG1 3.98Å; I717-V728 HydrophobicContact CD1-CG2 3.77Å; I717-V728 HydrophobicContact CG1-CB 4.01Å; I717-V728 HydrophobicContact CG1-CG2 3.86Å; V728-F730 HydrophobicContact CB-CE2 4.33Å; V728-F730 HydrophobicContact CG1-CD2 4.33Å; V728-F730 HydrophobicContact CG1-CE1 4.29Å; V728-F730 HydrophobicContact CG1-CE2 3.8Å; V728-F730 HydrophobicContact CG1-CZ 3.8Å; V728-T777 CarbonylContact C-O 3.28Å; V728-T777 WeakPolarHBondContact CA-O 3.48Å; V728-I779 HydrophobicContact CG1-CD1 3.7Å; V728-I779 HydrophobicContact CG1-CG1 4.1Å; V728-Y802 HydrophobicContact CG1-CD2 3.87Å; V728-Y802 HydrophobicContact CG1-CE2 4.16Å; V728-Y802 HydrophobicContact CG2-CD2 3.98Å; V728-Y802 HydrophobicContact CG2-CE2 3.68Å
729C88.2Confident63.1Low0 Ų065.6 Ų65.60%033%0.328CS..EExtended strand (participates in β ladder)trans-103.5112.9177.3-177.90000109I680 T714 P776 T777 F778 I779I680-C729 HydrophobicContact CG2-CB 4.18Å; T714-C729 HydrophobicContact CG2-CB 4.38Å; T714-C729 PolarHBondContact OG1-SG 2.88Å; T714-C729 VanDerWaalsContact OG1-SG 3.35Å; C729-P776 HydrophobicContact CB-CB 4.09Å; C729-T777 PolarHBondContact N-O 3.38Å; C729-F778 HydrophobicContact CB-CD1 3.65Å; C729-F778 HydrophobicContact CB-CE1 3.81Å; C729-F778 CarbonylContact O-C 3.59Å; C729-F778 WeakPolarHBondContact O-CA 3.24Å; C729-I779 PolarHBondContact O-N 2.88Å
730F88.8Confident61.6Low0 Ų073 Ų730%037%0.368CS..EExtended strand (participates in β ladder)trans-87.3133.5171.3-60.5-88.3000109.2T712 V713 L715 I717 V728 I779 I781 L798 Y801T712-F730 CarbonylContact C-O 3.57Å; T712-F730 VanDerWaalsContact CA-O 3.23Å; T712-F730 WeakPolarHBondContact CA-O 3.45Å; V713-F730 PolarHBondContact N-O 3.2Å; V713-F730 PolarHBondContact O-N 2.62Å; L715-F730 HydrophobicContact CD1-CD2 4.42Å; L715-F730 HydrophobicContact CD1-CE2 4.05Å; I717-F730 HydrophobicContact CD1-CE2 3.84Å; I717-F730 HydrophobicContact CD1-CZ 3.66Å; V728-F730 HydrophobicContact CB-CE2 4.33Å; V728-F730 HydrophobicContact CG1-CD2 4.33Å; V728-F730 HydrophobicContact CG1-CE1 4.29Å; V728-F730 HydrophobicContact CG1-CE2 3.8Å; V728-F730 HydrophobicContact CG1-CZ 3.8Å; F730-I779 CarbonylContact C-O 3.56Å; F730-I779 VanDerWaalsContact CA-O 3.3Å; F730-I779 WeakPolarHBondContact CA-O 3.47Å; F730-I779 HydrophobicContact CD1-CB 3.97Å; F730-I779 HydrophobicContact CD1-CG2 4.07Å; F730-I779 HydrophobicContact CE1-CB 4.22Å; F730-I779 HydrophobicContact CE1-CD1 4.21Å; F730-I779 HydrophobicContact CE1-CG2 4.21Å; F730-I781 HydrophobicContact CB-CD1 3.73Å; F730-I781 HydrophobicContact CB-CG1 4.21Å; F730-I781 HydrophobicContact CD1-CD1 4.47Å; F730-I781 HydrophobicContact CD1-CG2 3.85Å; F730-I781 HydrophobicContact CG-CD1 4.41Å; F730-L798 HydrophobicContact CB-CD2 4.36Å; F730-L798 HydrophobicContact CD1-CD2 3.92Å; F730-L798 HydrophobicContact CD2-CB 4.23Å; F730-L798 HydrophobicContact CD2-CD1 4.08Å; F730-L798 HydrophobicContact CD2-CD2 4.17Å; F730-L798 HydrophobicContact CD2-CG 4.4Å; F730-L798 HydrophobicContact CE1-CD2 4.2Å; F730-L798 HydrophobicContact CE2-CB 3.84Å; F730-L798 HydrophobicContact CE2-CD1 4.48Å; F730-L798 HydrophobicContact CE2-CD2 4.45Å; F730-L798 HydrophobicContact CE2-CG 4.49Å; F730-L798 HydrophobicContact CG-CD1 4.45Å; F730-L798 HydrophobicContact CG-CD2 3.88Å; F730-L798 HydrophobicContact CZ-CB 3.97Å; F730-L798 HydrophobicContact CZ-CD2 4.45Å; F730-L798 VanDerWaalsContact CZ-O 3.27Å; F730-L798 WeakPolarHBondContact CZ-O 3.31Å; F730-Y801 HydrophobicContact CE1-CD1 4.16Å
731Y89.2Confident60.5Low11 Ų1177 Ų774%0.04339%0.393CS..EExtended strand (participates in β ladder)trans-134.6146.5-178.170.3-88.8000112.3V709 E711 L733 P757 F762 F778 I779 N780 I781V709-Y731 HydrophobicContact CG2-CD2 4.13Å; E711-Y731 WeakPolarHBondContact O-CA 3.3Å; Y731-L733 HydrophobicContact CD2-CD2 4.18Å; Y731-L733 HydrophobicContact CD2-CG 4.32Å; Y731-L733 HydrophobicContact CE2-CD1 4.42Å; Y731-L733 HydrophobicContact CE2-CD2 4.06Å; Y731-L733 HydrophobicContact CE2-CG 4.13Å; Y731-P757 HydrophobicContact CE2-CG 4.38Å; Y731-P757 PolarHBondContact OH-O 3.08Å; Y731-P757 VanDerWaalsContact OH-O 3.05Å; Y731-F762 HydrophobicContact CD1-CE2 4.11Å; Y731-F762 HydrophobicContact CD2-CE2 4.1Å; Y731-F762 HydrophobicContact CD2-CZ 4.2Å; Y731-F762 HydrophobicContact CE1-CD2 4.14Å; Y731-F762 AromaticContact CE1-CE2 3.67Å; Y731-F762 HydrophobicContact CE1-CE2 3.67Å; Y731-F762 AromaticContact CE2-CE2 3.66Å; Y731-F762 HydrophobicContact CE2-CE2 3.66Å; Y731-F762 HydrophobicContact CE2-CZ 4.05Å; Y731-F762 HydrophobicContact CG-CE2 4.31Å; Y731-F762 AromaticContact CZ-CE2 3.42Å; Y731-F762 VanDerWaalsContact CZ-CE2 3.42Å; Y731-F778 HydrophobicContact CD1-CB 4.15Å; Y731-F778 HydrophobicContact CE1-CB 3.88Å; Y731-I779 WeakPolarHBondContact CD1-O 3.32Å; Y731-I779 PolarHBondContact N-O 2.91Å; Y731-N780 HydrophobicContact CE1-CB 4.08Å; Y731-N780 VanDerWaalsContact CE1-N 3.27Å; Y731-N780 HydrophobicContact CE2-CB 3.81Å; Y731-N780 WeakPolarHBondContact CE2-ND2 3.23Å; Y731-N780 WeakPolarHBondContact O-CA 3.44Å; Y731-I781 PolarHBondContact O-N 3.04Å
732V83.3Confident59.5Low13 Ų1382.9 Ų82.98%0.07942%0.422CS..EExtended strand (participates in β ladder)trans-110.5145175.6-176.70000108.9V709 S710 E711 I781 D782 I784V709-V732 CarbonylContact C-O 3.56Å; V709-V732 WeakPolarHBondContact CA-O 3.35Å; S710-V732 PolarHBondContact N-O 3.36Å; S710-V732 WeakPolarHBondContact OG-CB 3.23Å; S710-V732 WeakPolarHBondContact OG-CG1 3.5Å; S710-V732 PolarHBondContact OG-O 3.38Å; E711-V732 HydrophobicContact CB-CB 4.46Å; E711-V732 PolarHBondContact O-N 3.06Å; V732-I781 HydrophobicContact CG2-CG1 4Å; V732-D782 WeakPolarHBondContact CG1-O 3.34Å; V732-I784 HydrophobicContact CG2-CG1 3.74Å
733L82.4Confident58.6Low26 Ų2688.2 Ų88.214%0.13644%0.441CS..EExtended strand (participates in β ladder)trans-100.6148.4176.7-65.3170.9000111.3K708 V709 Y731 M735 L756 P757 N780K708-L733 HydrophobicContact CB-CD2 4.1Å; K708-L733 WeakPolarHBondContact O-CA 3.38Å; V709-L733 HydrophobicContact CG2-CD2 4.18Å; Y731-L733 HydrophobicContact CD2-CD2 4.18Å; Y731-L733 HydrophobicContact CD2-CG 4.32Å; Y731-L733 HydrophobicContact CE2-CD1 4.42Å; Y731-L733 HydrophobicContact CE2-CD2 4.06Å; Y731-L733 HydrophobicContact CE2-CG 4.13Å; L733-M735 PolarHBondContact O-N 2.98Å; L733-M735 VanDerWaalsContact O-N 3.11Å; L733-L756 HydrophobicContact CD1-CD2 3.47Å; L733-L756 VanDerWaalsContact CD1-CD2 3.47Å; L733-P757 HydrophobicContact CD1-CG 4.09Å; L733-P757 HydrophobicContact CD2-CG 3.35Å; L733-P757 HydrophobicContact CG-CG 4.35Å; L733-N780 WeakPolarHBondContact CD1-ND2 3.36Å
734H70.7Confident57.5Low128 Ų12889.4 Ų89.459%0.59346%0.456SS*.  trans-60.9112.2168.5-98-68.8000109.8K708 N736K708-H734 PolarHBondContact O-N 3.36Å; H734-N736 PolarHBondContact O-N 3.42Å
735M54.8Low56Low145 Ų14596.4 Ų96.471%0.71449%0.488SS*.  trans-73120.1161.9-65.8-65.4-174.300107.1L733 E737L733-M735 PolarHBondContact O-N 2.98Å; L733-M735 VanDerWaalsContact O-N 3.11Å; M735-E737 VanDerWaalsContact C-N 3.31Å; M735-E737 PolarHBondContact O-N 3.13Å
736N47.1Very low54.1Low142 Ų14299.4 Ų99.476%0.75951%0.512SS*.  trans-64.995.3171.7-98-14.4000108.5H734 N738H734-N736 PolarHBondContact O-N 3.42Å; N736-N738 PolarHBondContact O-N 3.38Å
737E35Very low52Low183 Ų183107.3 Ų107.386%0.85555%0.546SS*.  trans-71.469.3164.4-69.9-172.5167.200109.3M735M735-E737 VanDerWaalsContact C-N 3.31Å; M735-E737 PolarHBondContact O-N 3.13Å
738N32.9Very low49.6Very low147 Ų147115.7 Ų115.779%0.78659%0.585SS**  trans-144.162.2166.6-92.8-25.6000109.5N736N736-N738 PolarHBondContact O-N 3.38Å
739Q34.1Very low46.9Very low187 Ų187122.5 Ų122.587%0.87462%0.622SS**  trans-130.529.1159.8-74.9-164.7-8.100112.4
740N28.5Very low44.3Very low168 Ų168133.1 Ų133.190%0.89866%0.663SS**  trans-110.251.8167.8-92.8-12.9000111.8
741T29.5Very low41.9Very low114 Ų114139.2 Ų139.270%0.69970%0.696SS**  trans-122.2103.515443.10000107.9N743T741-N743 PolarHBondContact O-N 3.32Å
742M27Very low39.7Very low183 Ų183145.6 Ų145.690%0.90172%0.724SS**  trans-55.5134.7160.8-76-167.1177.400108
743N27.7Very low37.9Very low152 Ų152152.3 Ų152.381%0.81376%0.758SS**  trans79.379.4176.7-52.8-25.7000116.2T741T741-N743 PolarHBondContact O-N 3.32Å
744I27.4Very low36.3Very low159 Ų159157.2 Ų157.282%0.81578%0.78SS**  trans-152.7132.7134.5-83.5127.8000107
745E26.3Very low35.7Very low163 Ų163154.6 Ų154.676%0.76277%0.771SS**  trans-52.9146.7176.7-65.9177.1153.300112.3K747E745-K747 PolarHBondContact O-N 3.07Å
746P27.9Very low36.3Very low133 Ų133151.9 Ų151.986%0.86476%0.759SS**  trans-74.191.8-177.931.1-31.7000109.9E748P746-E748 PolarHBondContact O-N 3.19Å
747K27.7Very low37.4Very low192 Ų192145.4 Ų145.484%0.83572%0.724SS**  trans-79.9110.2157.6-83.4-174.6175178.60108.7E745 N749E745-K747 PolarHBondContact O-N 3.07Å; K747-N749 PolarHBondContact O-N 3.43Å
748E28Very low39.2Very low183 Ų183142.7 Ų142.786%0.85571%0.71SS**SBendtrans16.986.7146.3-62.9-179.9163.800115.8P746P746-E748 PolarHBondContact O-N 3.19Å
749N28.2Very low41.2Very low144 Ų144137.5 Ų137.577%0.7768%0.681SS**  trans-15880.4147.2-103.5-13000107.7K747 D751K747-N749 PolarHBondContact O-N 3.43Å; N749-D751 PolarHBondContact O-N 3.44Å
750Y34Very low43Very low223 Ų223133.4 Ų133.488%0.87567%0.665SS**  trans-65.897152.9-81.8-86.2000106K752Y750-K752 VanDerWaalsContact C-N 3.27Å; Y750-K752 PolarHBondContact O-N 3.4Å
751D38.1Very low45.5Very low127 Ų127126.7 Ų126.768%0.67963%0.629SS**  trans-51.9101.6159.2-81.8-24.3000106N749 L753N749-D751 PolarHBondContact O-N 3.44Å; D751-L753 PolarHBondContact O-N 3.22Å
752K43.7Very low47.9Very low146 Ų146121.2 Ų121.264%0.63560%0.596SS**  trans-58.2134.6-177.4-71.3179.6177.1-1800107.1Y750 E754 D755Y750-K752 VanDerWaalsContact C-N 3.27Å; Y750-K752 PolarHBondContact O-N 3.4Å; K752-E754 HydrophobicContact CB-CB 4.31Å; K752-E754 PolarHBondContact O-N 3.16Å; K752-D755 PolarHBondContact O-N 3.06Å; K752-D755 VanDerWaalsContact O-N 3.1Å
753L44.8Very low50.2Low154 Ų154115.1 Ų115.181%0.80657%0.566SS**G310 helixtrans-50-8.5171.2-109.291.1000114.1D751 D755 L756D751-L753 PolarHBondContact O-N 3.22Å; L753-D755 VanDerWaalsContact C-N 3.3Å; L753-D755 PolarHBondContact O-N 2.79Å; L753-L756 HydrophobicContact CG-CD1 4.49Å
754E48.6Very low52.4Low128 Ų128110 Ų11060%0.59855%0.545SS*.G310 helixtrans-73.2-8.3174.9-68-179.2146.800115.3R701 K752R701-E754 PolarHBondContact NH2-O 3.39Å; K752-E754 HydrophobicContact CB-CB 4.31Å; K752-E754 PolarHBondContact O-N 3.16Å
755D58.8Low54.8Low74 Ų74102.9 Ų102.940%0.39651%0.509SS..G310 helixtrans-105.611.1-178.3-84-13.6000115.3R701 L705 K708 K752 L753R701-D755 IonicContact NH1-OD1 2.81Å; L705-D755 WeakPolarHBondContact CD2-O 3.49Å; K708-D755 PolarHBondContact NZ-O 3.49Å; K752-D755 PolarHBondContact O-N 3.06Å; K752-D755 VanDerWaalsContact O-N 3.1Å; L753-D755 VanDerWaalsContact C-N 3.3Å; L753-D755 PolarHBondContact O-N 2.79Å
756L66.6Low57.3Low87 Ų8795.2 Ų95.246%0.45547%0.473SS..SBendtrans-82.3134.5170.5-73161.2000109.9L733 L753 K758L733-L756 HydrophobicContact CD1-CD2 3.47Å; L733-L756 VanDerWaalsContact CD1-CD2 3.47Å; L753-L756 HydrophobicContact CG-CD1 4.49Å; L756-K758 PolarHBondContact O-N 3.16Å
757P70.2Confident59.4Low6 Ų690.7 Ų90.74%0.03944%0.444CS..PPolyproline II helixtrans-62.1128.3179.424.1-31.5000110.7L705 Y731 L733 F762L705-P757 HydrophobicContact CB-CB 4.05Å; L705-P757 HydrophobicContact CD1-CB 4.5Å; L705-P757 HydrophobicContact CD2-CB 4.05Å; L705-P757 HydrophobicContact CG-CB 4.42Å; Y731-P757 HydrophobicContact CE2-CG 4.38Å; Y731-P757 PolarHBondContact OH-O 3.08Å; Y731-P757 VanDerWaalsContact OH-O 3.05Å; L733-P757 HydrophobicContact CD1-CG 4.09Å; L733-P757 HydrophobicContact CD2-CG 3.35Å; L733-P757 HydrophobicContact CG-CG 4.35Å; P757-F762 HydrophobicContact CB-CE1 4.29Å; P757-F762 HydrophobicContact CB-CE2 3.69Å; P757-F762 HydrophobicContact CB-CZ 3.5Å; P757-F762 HydrophobicContact CG-CE2 4.2Å; P757-F762 HydrophobicContact CG-CZ 3.86Å
758K73.9Confident61.6Low127 Ų12784.8 Ų84.855%0.55242%0.42SS*.PPolyproline II helixtrans-98164.3174.2-62.6179.6-175.3175.30109.6L756 D760 D761 F762L756-K758 PolarHBondContact O-N 3.16Å; K758-D760 PolarHBondContact O-N 3.44Å; K758-D761 PolarHBondContact N-OD2 3.38Å; K758-D761 WeakPolarHBondContact O-CB 3.32Å; K758-D761 PolarHBondContact O-N 3.33Å; K758-D761 VanDerWaalsContact O-N 3.08Å; K758-F762 WeakPolarHBondContact O-CD2 3.47Å; K758-F762 PolarHBondContact O-N 3.01Å
759Q75.1Confident63.8Low38 Ų3878.3 Ų78.318%0.17839%0.388CS..Hα-helixtrans-54.4-40.8176.3175.7172.3-9.100112.1D761 F762 I763 F778 L887Q759-D761 VanDerWaalsContact C-N 3.28Å; Q759-D761 PolarHBondContact O-N 2.87Å; Q759-F762 PolarHBondContact O-N 2.99Å; Q759-I763 HydrophobicContact CG-CD1 3.76Å; Q759-I763 HydrophobicContact CG-CG1 4.23Å; Q759-I763 WeakPolarHBondContact O-CG1 3.36Å; Q759-I763 PolarHBondContact O-N 3.28Å; Q759-F778 HydrophobicContact CB-CB 4.43Å; Q759-F778 HydrophobicContact CG-CB 4.21Å; Q759-F778 HydrophobicContact CG-CD2 4.38Å; Q759-L887 VanDerWaalsContact NE2-CD2 3.32Å; Q759-L887 VanDerWaalsContact OE1-CD2 3.27Å
760D72.2Confident65.8Low100 Ų10072.2 Ų72.254%0.53536%0.355SS..Hα-helixtrans-62-35.3179.7-61.2-21.6000112.2K758 I763 A764K758-D760 PolarHBondContact O-N 3.44Å; D760-I763 PolarHBondContact O-N 2.94Å; D760-A764 WeakPolarHBondContact O-CB 3.39Å; D760-A764 PolarHBondContact O-N 3.06Å
761D79.2Confident67.1Low27 Ų2761.9 Ų61.914%0.14432%0.315CS..Hα-helixtrans-65-43.6176.5-57.3-50.2000110.6L705 K758 Q759 A764 V765L705-D761 HydrophobicContact CD1-CB 3.84Å; K758-D761 PolarHBondContact N-OD2 3.38Å; K758-D761 WeakPolarHBondContact O-CB 3.32Å; K758-D761 PolarHBondContact O-N 3.33Å; K758-D761 VanDerWaalsContact O-N 3.08Å; Q759-D761 VanDerWaalsContact C-N 3.28Å; Q759-D761 PolarHBondContact O-N 2.87Å; D761-A764 PolarHBondContact O-N 3.42Å; D761-V765 PolarHBondContact O-N 3.33Å; D761-V765 VanDerWaalsContact O-N 3.15Å
762F81.5Confident68.2Low0 Ų059.6 Ų59.60%031%0.307CS..Hα-helixtrans-67.7-40.5175.5-66.4-58.6000112.2F684 V706 V709 Y731 P757 K758 Q759 A764 V765 F766 F778F684-F762 HydrophobicContact CE1-CD1 4.03Å; F684-F762 AromaticContact CE1-CE1 3.73Å; F684-F762 HydrophobicContact CE1-CE1 3.73Å; F684-F762 AromaticContact CZ-CD1 3.85Å; F684-F762 HydrophobicContact CZ-CD1 3.85Å; F684-F762 AromaticContact CZ-CE1 3.86Å; F684-F762 HydrophobicContact CZ-CE1 3.86Å; V706-F762 HydrophobicContact CG2-CD1 4.03Å; V706-F762 HydrophobicContact CG2-CE1 4.02Å; V709-F762 HydrophobicContact CG2-CE1 3.65Å; V709-F762 HydrophobicContact CG2-CZ 3.39Å; Y731-F762 HydrophobicContact CD1-CE2 4.11Å; Y731-F762 HydrophobicContact CD2-CE2 4.1Å; Y731-F762 HydrophobicContact CD2-CZ 4.2Å; Y731-F762 HydrophobicContact CE1-CD2 4.14Å; Y731-F762 AromaticContact CE1-CE2 3.67Å; Y731-F762 HydrophobicContact CE1-CE2 3.67Å; Y731-F762 AromaticContact CE2-CE2 3.66Å; Y731-F762 HydrophobicContact CE2-CE2 3.66Å; Y731-F762 HydrophobicContact CE2-CZ 4.05Å; Y731-F762 HydrophobicContact CG-CE2 4.31Å; Y731-F762 AromaticContact CZ-CE2 3.42Å; Y731-F762 VanDerWaalsContact CZ-CE2 3.42Å; P757-F762 HydrophobicContact CB-CE1 4.29Å; P757-F762 HydrophobicContact CB-CE2 3.69Å; P757-F762 HydrophobicContact CB-CZ 3.5Å; P757-F762 HydrophobicContact CG-CE2 4.2Å; P757-F762 HydrophobicContact CG-CZ 3.86Å; K758-F762 WeakPolarHBondContact O-CD2 3.47Å; K758-F762 PolarHBondContact O-N 3.01Å; Q759-F762 PolarHBondContact O-N 2.99Å; F762-A764 VanDerWaalsContact C-N 3.27Å; F762-A764 PolarHBondContact O-N 2.82Å; F762-V765 PolarHBondContact O-N 3.05Å; F762-F766 HydrophobicContact CB-CD2 4.38Å; F762-F766 HydrophobicContact CD1-CE2 4.27Å; F762-F766 VanDerWaalsContact O-CB 3.29Å; F762-F766 WeakPolarHBondContact O-CB 3.48Å; F762-F766 VanDerWaalsContact O-CD2 3.24Å; F762-F766 WeakPolarHBondContact O-CD2 3.43Å; F762-F766 PolarHBondContact O-N 2.85Å; F762-F778 HydrophobicContact CB-CB 4.42Å; F762-F778 HydrophobicContact CB-CD1 4Å; F762-F778 HydrophobicContact CB-CD2 3.48Å; F762-F778 VanDerWaalsContact CB-CD2 3.48Å; F762-F778 HydrophobicContact CB-CE1 4.09Å; F762-F778 HydrophobicContact CB-CE2 3.56Å; F762-F778 HydrophobicContact CB-CG 3.7Å; F762-F778 HydrophobicContact CB-CZ 3.87Å; F762-F778 HydrophobicContact CD2-CB 3.93Å; F762-F778 HydrophobicContact CD2-CD1 4.2Å; F762-F778 AromaticContact CD2-CG 3.98Å; F762-F778 HydrophobicContact CD2-CG 3.98Å; F762-F778 HydrophobicContact CG-CD1 4.12Å; F762-F778 HydrophobicContact CG-CD2 4.35Å; F762-F778 HydrophobicContact CG-CE1 4.43Å; F762-F778 HydrophobicContact CG-CG 4.08Å
763I74.8Confident69.2Low54 Ų5457.3 Ų57.328%0.27730%0.295SS..Hα-helixtrans-60.1-42.4175.8-69.2172.5000110.1Q759 D760 V765 F766 S767 F778Q759-I763 HydrophobicContact CG-CD1 3.76Å; Q759-I763 HydrophobicContact CG-CG1 4.23Å; Q759-I763 WeakPolarHBondContact O-CG1 3.36Å; Q759-I763 PolarHBondContact O-N 3.28Å; D760-I763 PolarHBondContact O-N 2.94Å; I763-V765 PolarHBondContact O-N 3.44Å; I763-F766 PolarHBondContact O-N 3.42Å; I763-S767 WeakPolarHBondContact O-CB 3.34Å; I763-S767 PolarHBondContact O-N 3.3Å; I763-S767 PolarHBondContact O-OG 3.29Å; I763-F778 HydrophobicContact CG1-CD2 4.33Å; I763-F778 HydrophobicContact CG1-CE2 4.34Å
764A74.6Confident70.3Confident45 Ų4550.7 Ų50.737%0.37226%0.261SS..Hα-helixtrans-58.1-47.2176.400000111.5D760 D761 F762 S767 H768D760-A764 WeakPolarHBondContact O-CB 3.39Å; D760-A764 PolarHBondContact O-N 3.06Å; D761-A764 PolarHBondContact O-N 3.42Å; F762-A764 VanDerWaalsContact C-N 3.27Å; F762-A764 PolarHBondContact O-N 2.82Å; A764-S767 PolarHBondContact O-OG 3.13Å; A764-H768 PolarHBondContact O-CE1 2.82Å; A764-H768 PolarHBondContact O-ND1 3.33Å
765V76.2Confident71.6Confident9 Ų947 Ų476%0.05525%0.249CC..Hα-helixtrans-68.5-52.6177.1179.30000111.8L687 W691 E702 V706 D761 F762 I763 S767 H768 Y769L687-V765 HydrophobicContact CD1-CG1 4.04Å; W691-V765 HydrophobicContact CH2-CG1 3.94Å; E702-V765 HydrophobicContact CB-CG2 3.5Å; V706-V765 HydrophobicContact CG2-CB 4.39Å; V706-V765 HydrophobicContact CG2-CG1 4.19Å; V706-V765 HydrophobicContact CG2-CG2 4.15Å; D761-V765 PolarHBondContact O-N 3.33Å; D761-V765 VanDerWaalsContact O-N 3.15Å; F762-V765 PolarHBondContact O-N 3.05Å; I763-V765 PolarHBondContact O-N 3.44Å; V765-S767 VanDerWaalsContact C-N 3.3Å; V765-S767 PolarHBondContact O-N 3.16Å; V765-H768 VanDerWaalsContact O-CB 3.26Å; V765-H768 WeakPolarHBondContact O-CB 3.48Å; V765-H768 PolarHBondContact O-N 3.37Å; V765-H768 VanDerWaalsContact O-N 3.11Å; V765-H768 PolarHBondContact O-ND1 2.9Å; V765-Y769 HydrophobicContact CG1-CE2 4.43Å; V765-Y769 WeakPolarHBondContact O-CD2 3.39Å
766F78.6Confident72.6Confident2 Ų243.5 Ų43.51%0.00923%0.23CC..Hα-helixtrans-71.2-25.4-169.3-81.1-110.8000112.8I680 L683 F684 L687 V706 F762 I763 H768 Y769 L770 F778I680-F766 HydrophobicContact CG2-CD1 4.5Å; I680-F766 HydrophobicContact CG2-CE1 4.03Å; L683-F766 HydrophobicContact CB-CE1 4.19Å; L683-F766 HydrophobicContact CD2-CD1 3.52Å; L683-F766 HydrophobicContact CD2-CE1 3.6Å; L683-F766 HydrophobicContact CD2-CG 4.45Å; L683-F766 HydrophobicContact CG-CD1 4.34Å; L683-F766 HydrophobicContact CG-CE1 3.93Å; F684-F766 HydrophobicContact CD1-CE2 4.39Å; F684-F766 AromaticContact CD1-CZ 3.95Å; F684-F766 HydrophobicContact CD1-CZ 3.95Å; F684-F766 AromaticContact CD2-CE1 3.95Å; F684-F766 HydrophobicContact CD2-CE1 3.95Å; F684-F766 HydrophobicContact CD2-CE2 4.39Å; F684-F766 AromaticContact CD2-CZ 3.4Å; F684-F766 HydrophobicContact CD2-CZ 3.4Å; F684-F766 VanDerWaalsContact CD2-CZ 3.4Å; F684-F766 AromaticContact CE1-CE2 3.89Å; F684-F766 HydrophobicContact CE1-CE2 3.89Å; F684-F766 AromaticContact CE1-CZ 3.8Å; F684-F766 HydrophobicContact CE1-CZ 3.8Å; F684-F766 AromaticContact CE2-CE1 3.88Å; F684-F766 HydrophobicContact CE2-CE1 3.88Å; F684-F766 AromaticContact CE2-CE2 3.92Å; F684-F766 HydrophobicContact CE2-CE2 3.92Å; F684-F766 AromaticContact CE2-CZ 3.25Å; F684-F766 HydrophobicContact CE2-CZ 3.25Å; F684-F766 AromaticContact CG-CZ 3.75Å; F684-F766 HydrophobicContact CG-CZ 3.75Å; F684-F766 HydrophobicContact CZ-CE1 4.44Å; F684-F766 AromaticContact CZ-CE2 3.63Å; F684-F766 HydrophobicContact CZ-CE2 3.63Å; F684-F766 AromaticContact CZ-CZ 3.45Å; F684-F766 HydrophobicContact CZ-CZ 3.45Å; F684-F766 VanDerWaalsContact CZ-CZ 3.45Å; L687-F766 HydrophobicContact CD1-CE2 4.3Å; L687-F766 HydrophobicContact CD1-CZ 4.25Å; V706-F766 HydrophobicContact CG2-CE2 4.39Å; F762-F766 HydrophobicContact CB-CD2 4.38Å; F762-F766 HydrophobicContact CD1-CE2 4.27Å; F762-F766 VanDerWaalsContact O-CB 3.29Å; F762-F766 WeakPolarHBondContact O-CB 3.48Å; F762-F766 VanDerWaalsContact O-CD2 3.24Å; F762-F766 WeakPolarHBondContact O-CD2 3.43Å; F762-F766 PolarHBondContact O-N 2.85Å; I763-F766 PolarHBondContact O-N 3.42Å; F766-H768 PolarHBondContact O-N 3.45Å; F766-H768 VanDerWaalsContact O-N 3.11Å; F766-Y769 PolarHBondContact O-N 2.96Å; F766-L770 HydrophobicContact CB-CD1 4.25Å; F766-L770 HydrophobicContact CD1-CD1 3.77Å; F766-L770 PolarHBondContact O-N 3Å; F766-F778 HydrophobicContact CB-CZ 4.25Å; F766-F778 AromaticContact CD1-CZ 3.96Å; F766-F778 HydrophobicContact CD1-CZ 3.96Å; F766-F778 AromaticContact CD2-CZ 4Å; F766-F778 HydrophobicContact CD2-CZ 4Å; F766-F778 HydrophobicContact CE1-CZ 4.37Å; F766-F778 HydrophobicContact CE2-CZ 4.4Å; F766-F778 AromaticContact CG-CZ 3.79Å; F766-F778 HydrophobicContact CG-CZ 3.79Å
767S73.8Confident73.3Confident38 Ų3840.2 Ų40.227%0.26621%0.214SC..THydrogen-bonded Turntrans-59.7-18.1171.864.70000113.7P188 I763 A764 V765 Y769P188-S767 WeakPolarHBondContact CB-O 3.42Å; P188-S767 VanDerWaalsContact CG-O 3.23Å; P188-S767 WeakPolarHBondContact CG-O 3.37Å; I763-S767 WeakPolarHBondContact O-CB 3.34Å; I763-S767 PolarHBondContact O-N 3.3Å; I763-S767 PolarHBondContact O-OG 3.29Å; A764-S767 PolarHBondContact O-OG 3.13Å; V765-S767 VanDerWaalsContact C-N 3.3Å; V765-S767 PolarHBondContact O-N 3.16Å; S767-Y769 VanDerWaalsContact C-N 3.34Å
768H72.7Confident74Confident68 Ų6840.2 Ų40.232%0.31521%0.213SC..THydrogen-bonded Turntrans-76.7-18.3173.3-66.677000113.9P188 G190 Q256 A764 V765 F766P188-H768 WeakPolarHBondContact CB-O 3.42Å; G190-H768 WeakPolarHBondContact CA-O 3.34Å; G190-H768 PolarHBondContact N-O 3.21Å; Q256-H768 PolarHBondContact NE2-CD2 2.84Å; Q256-H768 PolarHBondContact NE2-NE2 3.37Å; Q256-H768 PolarHBondContact OE1-CD2 3.13Å; A764-H768 PolarHBondContact O-CE1 2.82Å; A764-H768 PolarHBondContact O-ND1 3.33Å; V765-H768 VanDerWaalsContact O-CB 3.26Å; V765-H768 WeakPolarHBondContact O-CB 3.48Å; V765-H768 PolarHBondContact O-N 3.37Å; V765-H768 VanDerWaalsContact O-N 3.11Å; V765-H768 PolarHBondContact O-ND1 2.9Å; F766-H768 PolarHBondContact O-N 3.45Å; F766-H768 VanDerWaalsContact O-N 3.11Å
769Y73.7Confident74.6Confident48 Ų4834.6 Ų34.619%0.18819%0.189CC..THydrogen-bonded Turntrans-122.9-23.7-171.8-61.2-84000113R191 L683 L687 V765 F766 S767R191-Y769 WeakPolarHBondContact CB-O 3.38Å; L683-Y769 HydrophobicContact CD1-CD1 4.14Å; L683-Y769 HydrophobicContact CD1-CG 4.01Å; L683-Y769 HydrophobicContact CD2-CG 4.31Å; L687-Y769 HydrophobicContact CD1-CD2 4.34Å; L687-Y769 HydrophobicContact CD1-CE2 4.24Å; L687-Y769 HydrophobicContact CD2-CD1 4.32Å; L687-Y769 HydrophobicContact CD2-CD2 4.05Å; L687-Y769 HydrophobicContact CD2-CE1 3.73Å; L687-Y769 HydrophobicContact CD2-CE2 3.42Å; L687-Y769 VanDerWaalsContact CD2-CE2 3.42Å; L687-Y769 HydrophobicContact CD2-CG 4.47Å; L687-Y769 WeakPolarHBondContact CD2-OH 3.35Å; L687-Y769 HydrophobicContact CG-CE2 4.46Å; V765-Y769 HydrophobicContact CG1-CE2 4.43Å; V765-Y769 WeakPolarHBondContact O-CD2 3.39Å; F766-Y769 PolarHBondContact O-N 2.96Å; S767-Y769 VanDerWaalsContact C-N 3.34Å
770L70.8Confident75.1Confident15 Ų1535.4 Ų35.48%0.07920%0.195CC..SBendtrans-117.5131.2-176.9-63.7173000111P188 F675 I680 L683 F766 P776P188-L770 VanDerWaalsContact CG-O 3.28Å; P188-L770 WeakPolarHBondContact CG-O 3.32Å; F675-L770 HydrophobicContact CE2-CD2 4.31Å; I680-L770 HydrophobicContact CD1-CD1 3.13Å; I680-L770 HydrophobicContact CD1-CD2 4.08Å; I680-L770 HydrophobicContact CD1-CG 4.24Å; L683-L770 HydrophobicContact CD2-CD1 4.08Å; L683-L770 HydrophobicContact CD2-CD2 4.22Å; L683-L770 HydrophobicContact CD2-CG 3.89Å; F766-L770 HydrophobicContact CB-CD1 4.25Å; F766-L770 HydrophobicContact CD1-CD1 3.77Å; F766-L770 PolarHBondContact O-N 3Å; L770-P776 HydrophobicContact CD1-CG 4.28Å
771P61.5Low75.6Confident7 Ų731 Ų315%0.04517%0.171CC..  trans-54.9150.2171.6-22.130.8000111.8Y773 L774P771-Y773 HydrophobicContact CB-CD1 3.84Å; P771-Y773 HydrophobicContact CB-CD2 4.2Å; P771-Y773 HydrophobicContact CB-CE1 3.31Å; P771-Y773 HydrophobicContact CB-CE2 3.67Å; P771-Y773 HydrophobicContact CB-CG 4.26Å; P771-Y773 HydrophobicContact CG-CE1 4.18Å; P771-Y773 HydrophobicContact CG-CE2 4.02Å; P771-Y773 WeakPolarHBondContact CG-OH 3.44Å; P771-Y773 PolarHBondContact O-N 3.37Å; P771-L774 HydrophobicContact CG-CD1 4.34Å; P771-L774 PolarHBondContact O-N 3.25Å
772P61.1Low75.5Confident78 Ų7835.9 Ų35.951%0.50620%0.197SC..G310 helixtrans-54-33.9-176.4-27.834.1000114.5F249 L774 S775F249-P772 HydrophobicContact CE1-CG 4.26Å; F249-P772 HydrophobicContact CZ-CG 4.38Å; P772-L774 PolarHBondContact O-N 3.48Å; P772-S775 WeakPolarHBondContact O-CB 3.1Å; P772-S775 PolarHBondContact O-N 3.24Å
773Y63.9Low75.6Confident98 Ų9842 Ų4238%0.38423%0.225SC..G310 helixtrans-74.1-717955.2-102.3000114.3I673 P771I673-Y773 HydrophobicContact CD1-CD1 4.3Å; I673-Y773 HydrophobicContact CD1-CD2 3.27Å; I673-Y773 HydrophobicContact CD1-CE1 4.29Å; I673-Y773 HydrophobicContact CD1-CE2 3.31Å; I673-Y773 HydrophobicContact CD1-CG 3.82Å; I673-Y773 HydrophobicContact CG1-CE2 4.45Å; I673-Y773 HydrophobicContact CG2-CE2 3.97Å; P771-Y773 HydrophobicContact CB-CD1 3.84Å; P771-Y773 HydrophobicContact CB-CD2 4.2Å; P771-Y773 HydrophobicContact CB-CE1 3.31Å; P771-Y773 HydrophobicContact CB-CE2 3.67Å; P771-Y773 HydrophobicContact CB-CG 4.26Å; P771-Y773 HydrophobicContact CG-CE1 4.18Å; P771-Y773 HydrophobicContact CG-CE2 4.02Å; P771-Y773 WeakPolarHBondContact CG-OH 3.44Å; P771-Y773 PolarHBondContact O-N 3.37Å
774L69.2Low75.7Confident15 Ų1540.2 Ų40.28%0.07922%0.216CC..G310 helixtrans-110.510173.8-68.7173.5000112.8F675 P771 P772 P776F675-L774 HydrophobicContact CB-CD2 3.68Å; F675-L774 HydrophobicContact CD1-CD2 4.18Å; F675-L774 HydrophobicContact CD2-CD1 3.42Å; F675-L774 VanDerWaalsContact CD2-CD1 3.42Å; F675-L774 HydrophobicContact CD2-CD2 3.68Å; F675-L774 HydrophobicContact CD2-CG 4.08Å; F675-L774 HydrophobicContact CE2-CD1 3.79Å; F675-L774 HydrophobicContact CE2-CD2 4.36Å; F675-L774 HydrophobicContact CE2-CG 4.46Å; F675-L774 HydrophobicContact CG-CD1 4.21Å; F675-L774 HydrophobicContact CG-CD2 3.56Å; F675-L774 HydrophobicContact CG-CG 4.45Å; P771-L774 HydrophobicContact CG-CD1 4.34Å; P771-L774 PolarHBondContact O-N 3.25Å; P772-L774 PolarHBondContact O-N 3.48Å; L774-P776 VanDerWaalsContact O-CD 3.29Å; L774-P776 WeakPolarHBondContact O-CD 3.45Å
775S75.3Confident75.4Confident50 Ų5038.7 Ų38.735%0.3520%0.203SC..PPolyproline II helixtrans-63.2119.4-178.5-170.50000111.3P772P772-S775 WeakPolarHBondContact O-CB 3.1Å; P772-S775 PolarHBondContact O-N 3.24Å
776P79.4Confident74.7Confident2 Ų243.2 Ų43.21%0.01323%0.226CC..PPolyproline II helixtrans-75.1154.1178.5-9.825.9000112.2I680 L727 C729 L770 L774 F778I680-P776 HydrophobicContact CD1-CG 3.55Å; I680-P776 HydrophobicContact CG1-CG 3.93Å; I680-P776 HydrophobicContact CG2-CG 4.03Å; L727-P776 HydrophobicContact CD2-CB 4.07Å; L727-P776 HydrophobicContact CD2-CG 3.95Å; L727-P776 WeakPolarHBondContact O-CA 3.33Å; C729-P776 HydrophobicContact CB-CB 4.09Å; L770-P776 HydrophobicContact CD1-CG 4.28Å; L774-P776 VanDerWaalsContact O-CD 3.29Å; L774-P776 WeakPolarHBondContact O-CD 3.45Å; P776-F778 HydrophobicContact CB-CE1 4.26Å; P776-F778 HydrophobicContact CB-CE2 4.04Å; P776-F778 HydrophobicContact CB-CZ 3.91Å; P776-F778 HydrophobicContact CG-CE1 4.28Å; P776-F778 HydrophobicContact CG-CE2 4.08Å; P776-F778 HydrophobicContact CG-CZ 3.68Å
777T82.3Confident72.9Confident17 Ų1747 Ų4710%0.10425%0.245CC..EExtended strand (participates in β ladder)trans-86.8122159.8-54.90000108.5L727 V728 C729 I779 L887L727-T777 PolarHBondContact O-N 2.85Å; V728-T777 CarbonylContact C-O 3.28Å; V728-T777 WeakPolarHBondContact CA-O 3.48Å; C729-T777 PolarHBondContact N-O 3.38Å; T777-I779 HydrophobicContact CG2-CG1 4.38Å; T777-L887 HydrophobicContact CG2-CD2 4.41Å
778F85.2Confident71.6Confident6 Ų657.4 Ų57.43%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-97.6123.8-176.7-64.6-85.8000111.2I680 F684 C729 Y731 Q759 F762 I763 F766 P776I680-F778 HydrophobicContact CG2-CE1 4.42Å; F684-F778 HydrophobicContact CE2-CD1 4.43Å; F684-F778 AromaticContact CE2-CE1 3.82Å; F684-F778 HydrophobicContact CE2-CE1 3.82Å; F684-F778 HydrophobicContact CZ-CD1 4.39Å; F684-F778 HydrophobicContact CZ-CE1 4.01Å; C729-F778 HydrophobicContact CB-CD1 3.65Å; C729-F778 HydrophobicContact CB-CE1 3.81Å; C729-F778 CarbonylContact O-C 3.59Å; C729-F778 WeakPolarHBondContact O-CA 3.24Å; Y731-F778 HydrophobicContact CD1-CB 4.15Å; Y731-F778 HydrophobicContact CE1-CB 3.88Å; Q759-F778 HydrophobicContact CB-CB 4.43Å; Q759-F778 HydrophobicContact CG-CB 4.21Å; Q759-F778 HydrophobicContact CG-CD2 4.38Å; F762-F778 HydrophobicContact CB-CB 4.42Å; F762-F778 HydrophobicContact CB-CD1 4Å; F762-F778 HydrophobicContact CB-CD2 3.48Å; F762-F778 VanDerWaalsContact CB-CD2 3.48Å; F762-F778 HydrophobicContact CB-CE1 4.09Å; F762-F778 HydrophobicContact CB-CE2 3.56Å; F762-F778 HydrophobicContact CB-CG 3.7Å; F762-F778 HydrophobicContact CB-CZ 3.87Å; F762-F778 HydrophobicContact CD2-CB 3.93Å; F762-F778 HydrophobicContact CD2-CD1 4.2Å; F762-F778 AromaticContact CD2-CG 3.98Å; F762-F778 HydrophobicContact CD2-CG 3.98Å; F762-F778 HydrophobicContact CG-CD1 4.12Å; F762-F778 HydrophobicContact CG-CD2 4.35Å; F762-F778 HydrophobicContact CG-CE1 4.43Å; F762-F778 HydrophobicContact CG-CG 4.08Å; I763-F778 HydrophobicContact CG1-CD2 4.33Å; I763-F778 HydrophobicContact CG1-CE2 4.34Å; F766-F778 HydrophobicContact CB-CZ 4.25Å; F766-F778 AromaticContact CD1-CZ 3.96Å; F766-F778 HydrophobicContact CD1-CZ 3.96Å; F766-F778 AromaticContact CD2-CZ 4Å; F766-F778 HydrophobicContact CD2-CZ 4Å; F766-F778 HydrophobicContact CE1-CZ 4.37Å; F766-F778 HydrophobicContact CE2-CZ 4.4Å; F766-F778 AromaticContact CG-CZ 3.79Å; F766-F778 HydrophobicContact CG-CZ 3.79Å; P776-F778 HydrophobicContact CB-CE1 4.26Å; P776-F778 HydrophobicContact CB-CE2 4.04Å; P776-F778 HydrophobicContact CB-CZ 3.91Å; P776-F778 HydrophobicContact CG-CE1 4.28Å; P776-F778 HydrophobicContact CG-CE2 4.08Å; P776-F778 HydrophobicContact CG-CZ 3.68Å
779I85.3Confident70.1Confident10 Ų1060.6 Ų60.65%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-123.7120.1-178.2-60-176.3000110V728 C729 F730 Y731 T777 I781 Y801 Y802V728-I779 HydrophobicContact CG1-CD1 3.7Å; V728-I779 HydrophobicContact CG1-CG1 4.1Å; C729-I779 PolarHBondContact O-N 2.88Å; F730-I779 CarbonylContact C-O 3.56Å; F730-I779 VanDerWaalsContact CA-O 3.3Å; F730-I779 WeakPolarHBondContact CA-O 3.47Å; F730-I779 HydrophobicContact CD1-CB 3.97Å; F730-I779 HydrophobicContact CD1-CG2 4.07Å; F730-I779 HydrophobicContact CE1-CB 4.22Å; F730-I779 HydrophobicContact CE1-CD1 4.21Å; F730-I779 HydrophobicContact CE1-CG2 4.21Å; Y731-I779 WeakPolarHBondContact CD1-O 3.32Å; Y731-I779 PolarHBondContact N-O 2.91Å; T777-I779 HydrophobicContact CG2-CG1 4.38Å; I779-I781 HydrophobicContact CG2-CG2 4.36Å; I779-Y801 HydrophobicContact CG2-CE1 4.01Å; I779-Y802 HydrophobicContact CD1-CD2 3.42Å; I779-Y802 VanDerWaalsContact CD1-CD2 3.42Å; I779-Y802 HydrophobicContact CD1-CE2 3.85Å
780N85.1Confident68.5Low54 Ų5461.1 Ų61.129%0.28931%0.313SS..EExtended strand (participates in β ladder)trans-70.9132.6172-173.6-97.1000110.4Y731 L733Y731-N780 HydrophobicContact CE1-CB 4.08Å; Y731-N780 VanDerWaalsContact CE1-N 3.27Å; Y731-N780 HydrophobicContact CE2-CB 3.81Å; Y731-N780 WeakPolarHBondContact CE2-ND2 3.23Å; Y731-N780 WeakPolarHBondContact O-CA 3.44Å; L733-N780 WeakPolarHBondContact CD1-ND2 3.36Å
781I84.1Confident67.1Low9 Ų962.8 Ų62.85%0.04633%0.334CS..  trans-132152.4170.758.7173.5000109.9F730 Y731 V732 I779 H783 I784 L798 Y801F730-I781 HydrophobicContact CB-CD1 3.73Å; F730-I781 HydrophobicContact CB-CG1 4.21Å; F730-I781 HydrophobicContact CD1-CD1 4.47Å; F730-I781 HydrophobicContact CD1-CG2 3.85Å; F730-I781 HydrophobicContact CG-CD1 4.41Å; Y731-I781 PolarHBondContact O-N 3.04Å; V732-I781 HydrophobicContact CG2-CG1 4Å; I779-I781 HydrophobicContact CG2-CG2 4.36Å; I781-H783 VanDerWaalsContact C-N 3.34Å; I781-H783 WeakPolarHBondContact CD1-O 3.37Å; I781-H783 PolarHBondContact O-N 3.29Å; I781-I784 HydrophobicContact CD1-CG1 4.39Å; I781-L798 HydrophobicContact CD1-CD2 3.71Å; I781-Y801 HydrophobicContact CG2-CD1 4.15Å; I781-Y801 HydrophobicContact CG2-CE1 3.73Å
782D77.6Confident66.1Low129 Ų12969.8 Ų69.869%0.6936%0.364SS*.SBendtrans-68.3-34.4-176-59-37.9000112.7V732V732-D782 WeakPolarHBondContact CG1-O 3.34Å
783H81.7Confident66Low127 Ų12768 Ų6859%0.58835%0.352SS*.SBendtrans-158.7156.917762.9-78.7000110I781 P785I781-H783 VanDerWaalsContact C-N 3.34Å; I781-H783 WeakPolarHBondContact CD1-O 3.37Å; I781-H783 PolarHBondContact O-N 3.29Å; H783-P785 WeakPolarHBondContact O-CD 3.48Å
784I77.9Confident66.5Low17 Ų1765.2 Ų65.29%0.08734%0.343CS..  trans-77.1117.1173.9-57.4-166.4000109E711 V713 V732 I781 V793E711-I784 HydrophobicContact CB-CD1 3.56Å; E711-I784 HydrophobicContact CB-CG1 4.21Å; V713-I784 HydrophobicContact CB-CD1 4.26Å; V713-I784 HydrophobicContact CG2-CD1 3.71Å; V713-I784 HydrophobicContact CG2-CG2 3.92Å; V732-I784 HydrophobicContact CG2-CG1 3.74Å; I781-I784 HydrophobicContact CD1-CG1 4.39Å; I784-V793 HydrophobicContact CG2-CB 4.35Å; I784-V793 HydrophobicContact CG2-CG1 3.72Å; I784-V793 HydrophobicContact CG2-CG2 3.81Å
785P69Low66.7Low14 Ų1467.8 Ų67.89%0.09135%0.354CS..  trans-70.5136.6-177.829.7-34.5000110.1H783 V793 D794 Y797 L798H783-P785 WeakPolarHBondContact O-CD 3.48Å; P785-V793 WeakPolarHBondContact O-CA 3.28Å; P785-D794 HydrophobicContact CB-CB 4.28Å; P785-D794 HydrophobicContact CG-CB 4.48Å; P785-D794 PolarHBondContact O-N 3.34Å; P785-Y797 HydrophobicContact CB-CD1 3.85Å; P785-Y797 HydrophobicContact CB-CE1 4.34Å; P785-Y797 HydrophobicContact CB-CG 4.25Å; P785-Y797 HydrophobicContact CG-CD1 3.59Å; P785-Y797 HydrophobicContact CG-CE1 4.25Å; P785-Y797 HydrophobicContact CG-CG 4.27Å; P785-L798 HydrophobicContact CG-CD1 4.43Å; P785-L798 HydrophobicContact CG-CD2 3.69Å; P785-L798 HydrophobicContact CG-CG 3.74Å
786L60.5Low66.5Low103 Ų10369.8 Ų69.854%0.53936%0.358SS..BIsolated β-bridgetrans-115.7141.1179.3-57.3178.6000110.5R788 K792 V793L786-R788 PolarHBondContact O-N 3.08Å; L786-K792 CarbonylContact C-O 3.55Å; L786-K792 WeakPolarHBondContact CA-O 3.46Å; L786-V793 HydrophobicContact CD2-CG2 4.15Å
787M41.7Very low66.4Low81 Ų8175.4 Ų75.440%0.39938%0.379SS..  trans-67.3126173.4-62.6-169.588.900109.9T789 S790 G791 K792 D794M787-T789 PolarHBondContact O-N 3.27Å; M787-S790 PolarHBondContact O-N 2.71Å; M787-G791 PolarHBondContact O-N 3.43Å; M787-K792 PolarHBondContact N-O 3.15Å; M787-D794 HydrophobicContact CG-CB 3.85Å
788R45.1Very low66.1Low258 Ų25874.6 Ų74.697%0.97438%0.375SS*.THydrogen-bonded Turntrans-56-26.9-178.5-68.2-175.4-175.5176.71.7114.3L786L786-R788 PolarHBondContact O-N 3.08Å
789T41.1Very low65.7Low135 Ų13578 Ų7883%0.82839%0.387SS*.THydrogen-bonded Turntrans-89.9-33.5-174.951.60000114M787M787-T789 PolarHBondContact O-N 3.27Å
790S40.4Very low65.3Low59 Ų5983.1 Ų83.141%0.41341%0.411SS..THydrogen-bonded Turntrans-116.8-13.1-171.968.30000114.5M787 K792M787-S790 PolarHBondContact O-N 2.71Å; S790-K792 PolarHBondContact O-N 2.82Å; S790-K792 WeakPolarHBondContact OG-CB 3.09Å; S790-K792 PolarHBondContact OG-N 3.31Å
791G41.7Very low65Low50 Ų5083.4 Ų83.452%0.51541%0.408SS..  trans65.72-172.100000114.1M787M787-G791 PolarHBondContact O-N 3.43Å
792K41.5Very low64.7Low153 Ų15383.4 Ų83.467%0.66541%0.408SS*.SBendtrans-76.6155.7173.5-62.8-178.4179.3178.40109.9L786 M787 S790 D794L786-K792 CarbonylContact C-O 3.55Å; L786-K792 WeakPolarHBondContact CA-O 3.46Å; M787-K792 PolarHBondContact N-O 3.15Å; S790-K792 PolarHBondContact O-N 2.82Å; S790-K792 WeakPolarHBondContact OG-CB 3.09Å; S790-K792 PolarHBondContact OG-N 3.31Å; K792-D794 PolarHBondContact O-N 3.4Å
793V58.2Low64.5Low42 Ų4280.4 Ų80.426%0.25539%0.387SS..BIsolated β-bridgetrans-55.7128.9174.8178.70000110.9V713 I784 P785 L786 K795 L798V713-V793 HydrophobicContact CG1-CG1 4.08Å; V713-V793 HydrophobicContact CG2-CG1 3.98Å; V713-V793 HydrophobicContact CG2-CG2 3.93Å; I784-V793 HydrophobicContact CG2-CB 4.35Å; I784-V793 HydrophobicContact CG2-CG1 3.72Å; I784-V793 HydrophobicContact CG2-CG2 3.81Å; P785-V793 WeakPolarHBondContact O-CA 3.28Å; L786-V793 HydrophobicContact CD2-CG2 4.15Å; V793-K795 VanDerWaalsContact C-N 3.31Å; V793-K795 HydrophobicContact CG1-CG 4.37Å; V793-K795 PolarHBondContact O-N 3.41Å; V793-L798 HydrophobicContact CG1-CD1 3.88Å
794D74.1Confident63.9Low39 Ų3978.8 Ų78.821%0.20939%0.39CS..  trans-78.681.3175.4-164.8-22.9000110.3P785 M787 K792 E796 Y797 L798P785-D794 HydrophobicContact CB-CB 4.28Å; P785-D794 HydrophobicContact CG-CB 4.48Å; P785-D794 PolarHBondContact O-N 3.34Å; M787-D794 HydrophobicContact CG-CB 3.85Å; K792-D794 PolarHBondContact O-N 3.4Å; D794-E796 PolarHBondContact O-N 3.37Å; D794-E796 PolarHBondContact OD1-N 3.43Å; D794-Y797 PolarHBondContact O-N 2.65Å; D794-Y797 PolarHBondContact OD1-N 2.87Å; D794-L798 PolarHBondContact O-N 3.11Å
795K73.1Confident63.3Low69 Ų6983.4 Ų83.430%0.341%0.41SS..Hα-helixtrans-62.7-25.4179.5-60.4-174.6171.5-175.70112.5E666 L715 V793 R799E666-K795 IonicContact OE1-NZ 2.7Å; E666-K795 PolarHBondContact OE1-NZ 3.01Å; L715-K795 HydrophobicContact CD1-CB 4.04Å; L715-K795 HydrophobicContact CD1-CG 4.31Å; L715-K795 HydrophobicContact CD2-CB 4.06Å; L715-K795 HydrophobicContact CD2-CD 3.54Å; L715-K795 HydrophobicContact CD2-CG 3.67Å; V793-K795 VanDerWaalsContact C-N 3.31Å; V793-K795 HydrophobicContact CG1-CG 4.37Å; V793-K795 PolarHBondContact O-N 3.41Å; K795-R799 WeakPolarHBondContact O-CG 3.37Å; K795-R799 PolarHBondContact O-N 3.28Å; K795-R799 VanDerWaalsContact O-N 3.16Å
796E71Confident62.9Low92 Ų9286.2 Ų86.243%0.4342%0.421SS..Hα-helixtrans-78-41.8-179.7-16656.9-152.900111.1D794 L798 R799 Q800D794-E796 PolarHBondContact O-N 3.37Å; D794-E796 PolarHBondContact OD1-N 3.43Å; E796-L798 VanDerWaalsContact C-N 3.28Å; E796-L798 PolarHBondContact O-N 3.33Å; E796-R799 WeakPolarHBondContact O-CB 3.43Å; E796-R799 PolarHBondContact O-N 2.81Å; E796-R799 IonicContact OE2-CZ 2.85Å; E796-R799 IonicContact OE2-NH1 2.98Å; E796-R799 PolarHBondContact OE2-NH1 3.36Å; E796-Q800 WeakPolarHBondContact O-CG 3.36Å; E796-Q800 PolarHBondContact O-N 3.35Å
797Y77.1Confident62.5Low119 Ų11984.2 Ų84.247%0.46741%0.409SS..Hα-helixtrans-56-45169.8-177.6-82.9000111.4P785 D794 R799 Q800 Y801P785-Y797 HydrophobicContact CB-CD1 3.85Å; P785-Y797 HydrophobicContact CB-CE1 4.34Å; P785-Y797 HydrophobicContact CB-CG 4.25Å; P785-Y797 HydrophobicContact CG-CD1 3.59Å; P785-Y797 HydrophobicContact CG-CE1 4.25Å; P785-Y797 HydrophobicContact CG-CG 4.27Å; D794-Y797 PolarHBondContact O-N 2.65Å; D794-Y797 PolarHBondContact OD1-N 2.87Å; Y797-R799 VanDerWaalsContact C-N 3.33Å; Y797-R799 PolarHBondContact O-N 3.1Å; Y797-Q800 PolarHBondContact O-N 2.63Å; Y797-Y801 HydrophobicContact CE1-CD2 4.3Å; Y797-Y801 WeakPolarHBondContact O-CB 3.21Å; Y797-Y801 PolarHBondContact O-N 2.89Å
798L77.3Confident62Low1 Ų185.6 Ų85.61%0.00543%0.425CS..Hα-helixtrans-61.7-38.6178.1-71.3175.7000112.7V713 L715 F730 I781 P785 V793 D794 E796 Y801 Y802V713-L798 HydrophobicContact CB-CD1 4.35Å; V713-L798 HydrophobicContact CG1-CD1 3.71Å; L715-L798 HydrophobicContact CD1-CB 3.65Å; L715-L798 HydrophobicContact CD1-CD1 3.79Å; L715-L798 HydrophobicContact CD1-CG 4.38Å; F730-L798 HydrophobicContact CB-CD2 4.36Å; F730-L798 HydrophobicContact CD1-CD2 3.92Å; F730-L798 HydrophobicContact CD2-CB 4.23Å; F730-L798 HydrophobicContact CD2-CD1 4.08Å; F730-L798 HydrophobicContact CD2-CD2 4.17Å; F730-L798 HydrophobicContact CD2-CG 4.4Å; F730-L798 HydrophobicContact CE1-CD2 4.2Å; F730-L798 HydrophobicContact CE2-CB 3.84Å; F730-L798 HydrophobicContact CE2-CD1 4.48Å; F730-L798 HydrophobicContact CE2-CD2 4.45Å; F730-L798 HydrophobicContact CE2-CG 4.49Å; F730-L798 HydrophobicContact CG-CD1 4.45Å; F730-L798 HydrophobicContact CG-CD2 3.88Å; F730-L798 HydrophobicContact CZ-CB 3.97Å; F730-L798 HydrophobicContact CZ-CD2 4.45Å; F730-L798 VanDerWaalsContact CZ-O 3.27Å; F730-L798 WeakPolarHBondContact CZ-O 3.31Å; I781-L798 HydrophobicContact CD1-CD2 3.71Å; P785-L798 HydrophobicContact CG-CD1 4.43Å; P785-L798 HydrophobicContact CG-CD2 3.69Å; P785-L798 HydrophobicContact CG-CG 3.74Å; V793-L798 HydrophobicContact CG1-CD1 3.88Å; D794-L798 PolarHBondContact O-N 3.11Å; E796-L798 VanDerWaalsContact C-N 3.28Å; E796-L798 PolarHBondContact O-N 3.33Å; L798-Y801 PolarHBondContact O-N 3.11Å; L798-Y802 PolarHBondContact O-N 2.95Å
799R76.9Confident61.4Low76 Ų7682.6 Ų82.629%0.28742%0.422SS..Hα-helixtrans-63-47172.2-73.5-178.4-166.6111.64.1111.6I717 K795 E796 Y797 Y801 Y802 Y803I717-R799 HydrophobicContact CG1-CG 4.36Å; K795-R799 WeakPolarHBondContact O-CG 3.37Å; K795-R799 PolarHBondContact O-N 3.28Å; K795-R799 VanDerWaalsContact O-N 3.16Å; E796-R799 WeakPolarHBondContact O-CB 3.43Å; E796-R799 PolarHBondContact O-N 2.81Å; E796-R799 IonicContact OE2-CZ 2.85Å; E796-R799 IonicContact OE2-NH1 2.98Å; E796-R799 PolarHBondContact OE2-NH1 3.36Å; Y797-R799 VanDerWaalsContact C-N 3.33Å; Y797-R799 PolarHBondContact O-N 3.1Å; R799-Y801 VanDerWaalsContact C-N 3.32Å; R799-Y801 PolarHBondContact O-N 3.39Å; R799-Y802 WeakPolarHBondContact O-CB 3.34Å; R799-Y802 PolarHBondContact O-N 3.17Å; R799-Y803 HydrophobicContact CB-CE2 4.08Å; R799-Y803 WeakPolarHBondContact O-CD2 3.43Å; R799-Y803 PolarHBondContact O-N 3.03Å
800Q75.6Confident60.9Low118 Ų11881.1 Ų81.155%0.55141%0.408SS*.Hα-helixtrans-63-39.7178-69.4-171.44.400112.2E796 Y797 Y802 Y803 S804E796-Q800 WeakPolarHBondContact O-CG 3.36Å; E796-Q800 PolarHBondContact O-N 3.35Å; Y797-Q800 PolarHBondContact O-N 2.63Å; Q800-Y802 VanDerWaalsContact C-N 3.34Å; Q800-Y803 PolarHBondContact O-N 3.13Å; Q800-S804 WeakPolarHBondContact O-CB 3.48Å; Q800-S804 PolarHBondContact O-N 3.21Å; Q800-S804 PolarHBondContact O-OG 2.74Å
801Y78.9Confident60.3Low61 Ų6183.1 Ų83.124%0.23942%0.422CS..Hα-helixtrans-61.4-42.4174.5-176.5-86.9000111.6F730 I779 I781 Y797 L798 R799 S804 K805F730-Y801 HydrophobicContact CE1-CD1 4.16Å; I779-Y801 HydrophobicContact CG2-CE1 4.01Å; I781-Y801 HydrophobicContact CG2-CD1 4.15Å; I781-Y801 HydrophobicContact CG2-CE1 3.73Å; Y797-Y801 HydrophobicContact CE1-CD2 4.3Å; Y797-Y801 WeakPolarHBondContact O-CB 3.21Å; Y797-Y801 PolarHBondContact O-N 2.89Å; L798-Y801 PolarHBondContact O-N 3.11Å; R799-Y801 VanDerWaalsContact C-N 3.32Å; R799-Y801 PolarHBondContact O-N 3.39Å; Y801-S804 PolarHBondContact O-OG 2.99Å; Y801-K805 HydrophobicContact CE1-CD 3.96Å; Y801-K805 PolarHBondContact O-N 2.73Å; Y801-K805 PolarHBondContact OH-NZ 3.34Å; Y801-K805 VanDerWaalsContact OH-NZ 3.15Å
802Y78.3Confident59.7Low8 Ų888.8 Ų88.83%0.03144%0.435CS..Hα-helixtrans-59.8-49.2172.8179.1-88.9000111.5I717 V728 I779 L798 R799 Q800 S804 K805 H806I717-Y802 HydrophobicContact CB-CD1 4.44Å; I717-Y802 VanDerWaalsContact CD1-CB 3.46Å; I717-Y802 HydrophobicContact CD1-CD1 4.18Å; I717-Y802 HydrophobicContact CD1-CD2 3.82Å; I717-Y802 HydrophobicContact CD1-CG 3.55Å; I717-Y802 HydrophobicContact CG2-CD1 3.56Å; I717-Y802 HydrophobicContact CG2-CE1 3.98Å; I717-Y802 HydrophobicContact CG2-CG 4.03Å; V728-Y802 HydrophobicContact CG1-CD2 3.87Å; V728-Y802 HydrophobicContact CG1-CE2 4.16Å; V728-Y802 HydrophobicContact CG2-CD2 3.98Å; V728-Y802 HydrophobicContact CG2-CE2 3.68Å; I779-Y802 HydrophobicContact CD1-CD2 3.42Å; I779-Y802 VanDerWaalsContact CD1-CD2 3.42Å; I779-Y802 HydrophobicContact CD1-CE2 3.85Å; L798-Y802 PolarHBondContact O-N 2.95Å; R799-Y802 WeakPolarHBondContact O-CB 3.34Å; R799-Y802 PolarHBondContact O-N 3.17Å; Q800-Y802 VanDerWaalsContact C-N 3.34Å; Y802-S804 PolarHBondContact O-N 3.41Å; Y802-K805 PolarHBondContact O-N 3.35Å; Y802-H806 AromaticContact CD2-CD2 3.95Å; Y802-H806 AromaticContact CE2-CD2 3.83Å; Y802-H806 PolarHBondContact O-CD2 3.01Å; Y802-H806 PolarHBondContact O-N 3Å
803Y72.5Confident59.3Low67 Ų6786.6 Ų86.626%0.26343%0.43SS..Hα-helixtrans-63.1-42-179.2-63.5-47.8000112I717 Q718 R799 Q800 K805 H806 H807I717-Y803 HydrophobicContact CG2-CE1 3.76Å; Q718-Y803 VanDerWaalsContact O-CE1 3.23Å; Q718-Y803 WeakPolarHBondContact O-CE1 3.25Å; Q718-Y803 PolarHBondContact O-OH 3.49Å; Q718-Y803 VanDerWaalsContact O-OH 3.11Å; R799-Y803 HydrophobicContact CB-CE2 4.08Å; R799-Y803 WeakPolarHBondContact O-CD2 3.43Å; R799-Y803 PolarHBondContact O-N 3.03Å; Q800-Y803 PolarHBondContact O-N 3.13Å; Y803-K805 VanDerWaalsContact C-N 3.29Å; Y803-K805 PolarHBondContact O-N 2.78Å; Y803-H806 PolarHBondContact O-N 3.31Å; Y803-H807 WeakPolarHBondContact O-CB 3.43Å; Y803-H807 PolarHBondContact O-N 3.34Å; Y803-H807 VanDerWaalsContact O-N 3.09Å
804S69.8Low57.9Low92 Ų9291.6 Ų91.664%0.64346%0.461SS*.Hα-helixtrans-65.5-31-179.669.30000113.2Q800 Y801 Y802Q800-S804 WeakPolarHBondContact O-CB 3.48Å; Q800-S804 PolarHBondContact O-N 3.21Å; Q800-S804 PolarHBondContact O-OG 2.74Å; Y801-S804 PolarHBondContact O-OG 2.99Å; Y802-S804 PolarHBondContact O-N 3.41Å
805K65.7Low55.8Low115 Ų11598.9 Ų98.950%0.549%0.491SS..Hα-helixtrans-79.4-20.4178.3-135.1179.2-175.5170.20113.6Y801 Y802 Y803Y801-K805 HydrophobicContact CE1-CD 3.96Å; Y801-K805 PolarHBondContact O-N 2.73Å; Y801-K805 PolarHBondContact OH-NZ 3.34Å; Y801-K805 VanDerWaalsContact OH-NZ 3.15Å; Y802-K805 PolarHBondContact O-N 3.35Å; Y803-K805 VanDerWaalsContact C-N 3.29Å; Y803-K805 PolarHBondContact O-N 2.78Å
806H59.9Low53.7Low73 Ų73100.8 Ų100.834%0.33851%0.507SS..Hα-helixtrans-124.67.6-168.7-69.7-75.2000115.8Y802 Y803Y802-H806 AromaticContact CD2-CD2 3.95Å; Y802-H806 AromaticContact CE2-CD2 3.83Å; Y802-H806 PolarHBondContact O-CD2 3.01Å; Y802-H806 PolarHBondContact O-N 3Å; Y803-H806 PolarHBondContact O-N 3.31Å
807H51.9Low51.7Low61 Ų61103.1 Ų103.128%0.28252%0.522SS..  trans-119.1134.4-179.7-106.3-72000116.5V720 Y803 I810V720-H807 WeakPolarHBondContact CA-NE2 3.3Å; V720-H807 WeakPolarHBondContact CB-NE2 3.23Å; V720-H807 WeakPolarHBondContact CG1-CE1 3.45Å; V720-H807 WeakPolarHBondContact CG1-NE2 3.29Å; V720-H807 WeakPolarHBondContact CG2-NE2 3.37Å; V720-H807 PolarHBondContact O-NE2 3.46Å; Y803-H807 WeakPolarHBondContact O-CB 3.43Å; Y803-H807 PolarHBondContact O-N 3.34Å; Y803-H807 VanDerWaalsContact O-N 3.09Å; H807-I810 WeakPolarHBondContact CE1-CD1 3.16Å; H807-I810 WeakPolarHBondContact CE1-CG1 3.47Å; H807-I810 WeakPolarHBondContact ND1-CG1 3.29Å; H807-I810 WeakPolarHBondContact NE2-CD1 3.49Å
808C32.4Very low49.4Very low109 Ų109105.8 Ų105.874%0.73654%0.539SS*.  trans-81.3147.6142-800000109.6
809E31.1Very low47.1Very low195 Ų195111.8 Ų111.891%0.91158%0.578SS**  trans-53.2131.7-170.7-72.5-179.6149.400114.9
810I30.6Very low44.7Very low104 Ų104110.7 Ų110.753%0.53359%0.591SS.*  trans-96.893.1180-52.2166.6000109.8H807H807-I810 WeakPolarHBondContact CE1-CD1 3.16Å; H807-I810 WeakPolarHBondContact CE1-CG1 3.47Å; H807-I810 WeakPolarHBondContact ND1-CG1 3.29Å; H807-I810 WeakPolarHBondContact NE2-CD1 3.49Å
811S28.5Very low42.4Very low101 Ų101116.2 Ų116.271%0.70661%0.606SS**  trans-148.894.7156.758.30000108.3
812E30.2Very low40Very low169 Ų169119.5 Ų119.579%0.7963%0.632SS**SBendtrans162.30.8154.6-92.3178-176.200116T814E812-T814 VanDerWaalsContact C-N 3.27Å; E812-T814 PolarHBondContact O-N 2.78Å
813I32.8Very low37.5Very low108 Ų108126.3 Ų126.355%0.55467%0.669SS**G310 helixtrans-73.7-4.1-167.8-64.4174000115.3K815I813-K815 VanDerWaalsContact C-N 3.3Å; I813-K815 PolarHBondContact O-N 3.23Å
814T28.5Very low35.4Very low146 Ų146129 Ų12990%0.89669%0.689SS**G310 helixtrans-79.15.5-175.6-6.70000116.2E812E812-T814 VanDerWaalsContact C-N 3.27Å; E812-T814 PolarHBondContact O-N 2.78Å
815K29.5Very low33.3Very low193 Ų193129.9 Ų129.984%0.83969%0.692SS**G310 helixtrans-112.8-5-175.8-87.6-175.8178.7176.60118.3I813I813-K815 VanDerWaalsContact C-N 3.3Å; I813-K815 PolarHBondContact O-N 3.23Å
816V29.3Very low31.5Very low108 Ų108131.1 Ų131.166%0.65571%0.709SS**  trans-129.780.4-171-168.30000113.4
817L29.7Very low30Very low141 Ų141136.9 Ų136.974%0.73873%0.733SS**  trans-144.768.6152.2-78.1177.6000107.6
818Q29Very low28.7Very low175 Ų175142 Ų14282%0.81876%0.757SS**  trans-112.7136160.1-74.6-164.3-2.200108.7G820Q818-G820 PolarHBondContact O-N 3.31Å
819P28.5Very low28.4Very low128 Ų128146.1 Ų146.183%0.83177%0.767SS**  trans-77.891.3176.332.4-29.5000107.9
820G25.7Very low28.1Very low53 Ų53141.8 Ų141.855%0.54675%0.754SS.*  trans-140.2135.8165.200000106.3Q818Q818-G820 PolarHBondContact O-N 3.31Å
821W27.9Very low27.9Very low233 Ų233145.2 Ų145.288%0.88377%0.768SS**  trans13050.6176-72.443.9000109.9
822V28.4Very low28Very low130 Ų130148.3 Ų148.379%0.78878%0.777SS**SBendtrans-110.8118.3146.61800000102.5
823N26.6Very low27.8Very low151 Ų151147.1 Ų147.181%0.80778%0.776SS**  trans90.882.6-175.5-46.8-27.2000115.6
824D26.6Very low27.6Very low125 Ų125149.5 Ų149.567%0.66879%0.789SS**  trans-132.4120144.1-118.5-22.6000107.7
825P26.8Very low27.7Very low109 Ų109147.7 Ų147.771%0.70878%0.783SS**  trans-72.8138.4179.631-30.6000108.7K827P825-K827 PolarHBondContact O-N 3.09Å
826V28.2Very low27.6Very low141 Ų141144.7 Ų144.786%0.85578%0.781SS**  trans-53.4102177.1177.60000109.4H828V826-H828 PolarHBondContact O-N 3.23Å
827K26.8Very low27.4Very low195 Ų195144.5 Ų144.585%0.84879%0.785SS**  trans-68.9122.4167.8-97.2-179.4175.6175.50108.5P825 M829P825-K827 PolarHBondContact O-N 3.09Å; K827-M829 PolarHBondContact O-N 3.48Å
828H25.1Very low27.4Very low169 Ų169146 Ų14678%0.78279%0.793SS**  trans-46.9118.6167.4-81.6-98.2000111V826V826-H828 PolarHBondContact O-N 3.23Å
829M26.3Very low27.2Very low195 Ų195146.5 Ų146.596%0.96180%0.796SS**  trans-97.988.9155.5-73.1-164.388.500107.8K827K827-M829 PolarHBondContact O-N 3.48Å
830T25.9Very low27.1Very low103 Ų103145.3 Ų145.363%0.63279%0.79SS**  trans-105.7134.4156.937.20000107.5
831E26.5Very low27.2Very low177 Ų177152.5 Ų152.583%0.82781%0.807SS**  trans77.299.4160.2-61.5175.3178.300118.3
832N30.3Very low27.3Very low166 Ų166144.8 Ų144.889%0.88880%0.8SS**  -153.3104117.7-102.6-17.8000110.6
833N26.4Very low27.4Very low144 Ų144148 Ų14877%0.7780%0.803SS**  trans-77.6138.5164.8-81.7-31.9000109.8
834N26.9Very low27.8Very low157 Ų157145.7 Ų145.784%0.8479%0.791SS**  trans138.596.9134.6-72.7-22.1000112.9
835S31.5Very low28.3Very low108 Ų108144.7 Ų144.776%0.75579%0.794SS**  -178.9107116.1570000111.9
836T27.5Very low28.8Very low130 Ų130149.6 Ų149.680%0.79880%0.798SS**  trans64.7114.4137.951.60000122.6
837S25.2Very low29.3Very low105 Ų105147.4 Ų147.473%0.73478%0.782SS**  trans6995.1140.764.40000119.6
838D28.8Very low29.9Very low171 Ų171145.9 Ų145.991%0.91478%0.775SS**  -151.3129.1113.5-101-24.7000111.8
839Q25.4Very low30.8Very low187 Ų187146 Ų14687%0.87477%0.773SS**  trans-85.9120.1176.7-72.6176.2-15.600109.2
840S25.7Very low31.7Very low103 Ų103141.7 Ų141.772%0.7275%0.754SS**  trans157151.1140.453.50000111.2
841F28.9Very low33.2Very low204 Ų204139.2 Ų139.290%0.89574%0.74SS**  trans90.582.3179.6-64.7-83000117.7
842G30.6Very low35.2Very low71 Ų71140 Ų14073%0.73274%0.736SS**  trans-89.6126.3146.400000110.8
843K30.1Very low37.3Very low198 Ų198132.5 Ų132.586%0.86170%0.698SS**  trans169.2140.9141.7-96.2170.7-178.1-178.80111.4
844N33.4Very low40Very low102 Ų102127 Ų12755%0.54567%0.667SS.*  trans9291.8160-58.9-3.7000120.2D847N844-D847 HydrophobicContact CB-CB 4.33Å; N844-D847 VanDerWaalsContact CB-OD2 3.22Å; N844-D847 WeakPolarHBondContact CB-OD2 3.38Å; N844-D847 PolarHBondContact ND2-OD2 2.93Å
845S38.5Very low42.6Very low104 Ų104122.7 Ų122.773%0.72764%0.641SS**THydrogen-bonded Turntrans-78.8-8.5166.769.60000115
846R36.8Very low45.1Very low211 Ų211122 Ų12280%0.79662%0.622SS**THydrogen-bonded Turntrans-81.9-37174.7-78.6-175.4-177.8168.81.3113.1F848 K849 L850R846-F848 PolarHBondContact O-N 3.22Å; R846-K849 PolarHBondContact O-N 2.88Å; R846-L850 PolarHBondContact O-N 2.83Å
847D38.2Very low47.9Very low96 Ų96115.8 Ų115.851%0.51358%0.584SS.*Hα-helixtrans-63.3-27.4173.4-66.7-34.5000111.5N844 S851N844-D847 HydrophobicContact CB-CB 4.33Å; N844-D847 VanDerWaalsContact CB-OD2 3.22Å; N844-D847 WeakPolarHBondContact CB-OD2 3.38Å; N844-D847 PolarHBondContact ND2-OD2 2.93Å; D847-S851 WeakPolarHBondContact O-CB 3.32Å; D847-S851 PolarHBondContact O-N 2.9Å; D847-S851 PolarHBondContact O-OG 3.16Å
848F39.2Very low50.9Low162 Ų162111.1 Ų111.171%0.71155%0.55SS**Hα-helixtrans-71.1-28.4176.3-117.1-86.7000114.6R846 S851 R852R846-F848 PolarHBondContact O-N 3.22Å; F848-S851 PolarHBondContact O-OG 3.36Å; F848-R852 WeakPolarHBondContact O-CB 3.42Å; F848-R852 PolarHBondContact O-N 2.98Å
849K45.3Very low53.4Low171 Ų171107.4 Ų107.474%0.74353%0.526SS*.Hα-helixtrans-82.9-40.3176.7-94.6-173.2176.5-176.50112.2R846 R852 G853R846-K849 PolarHBondContact O-N 2.88Å; K849-R852 WeakPolarHBondContact O-CB 3.37Å; K849-R852 PolarHBondContact O-N 3.26Å; K849-R852 VanDerWaalsContact O-N 3.17Å; K849-G853 PolarHBondContact O-N 2.98Å
850L45.4Very low56.3Low105 Ų10598.8 Ų98.855%0.5549%0.486SS..Hα-helixtrans-66.2-35.2175.4-91.6145.8000112.4R846R846-L850 PolarHBondContact O-N 2.83Å
851S57.3Low59Low51 Ų5193.9 Ų93.936%0.35745%0.452SS..Hα-helixtrans-69.1-35170.881.10000111.5D847 F848 G853 R854 E855D847-S851 WeakPolarHBondContact O-CB 3.32Å; D847-S851 PolarHBondContact O-N 2.9Å; D847-S851 PolarHBondContact O-OG 3.16Å; F848-S851 PolarHBondContact O-OG 3.36Å; S851-G853 PolarHBondContact O-N 2.71Å; S851-R854 PolarHBondContact O-N 3.06Å; S851-E855 WeakPolarHBondContact O-CB 3.4Å; S851-E855 VanDerWaalsContact O-CG 3.24Å; S851-E855 WeakPolarHBondContact O-CG 3.39Å; S851-E855 PolarHBondContact O-N 2.92Å
852R68.6Low61.2Low194 Ų19484.4 Ų84.473%0.73241%0.411SS*.Hα-helixtrans-63.6-44.4-175.8-157.7175.3-174-178.50.7113.7F848 K849 R856F848-R852 WeakPolarHBondContact O-CB 3.42Å; F848-R852 PolarHBondContact O-N 2.98Å; K849-R852 WeakPolarHBondContact O-CB 3.37Å; K849-R852 PolarHBondContact O-N 3.26Å; K849-R852 VanDerWaalsContact O-N 3.17Å; R852-R856 WeakPolarHBondContact O-CB 3.47Å; R852-R856 PolarHBondContact O-N 2.96Å
853G72.7Confident63.3Low9 Ų985.3 Ų85.39%0.09340%0.396CS..Hα-helixtrans-65.9-45.6177.300000112.4K849 S851 R856 A857 F907K849-G853 PolarHBondContact O-N 2.98Å; S851-G853 PolarHBondContact O-N 2.71Å; G853-R856 PolarHBondContact O-N 2.81Å; G853-A857 PolarHBondContact O-N 3.15Å; G853-F907 WeakPolarHBondContact O-CZ 3.22Å
854R84.5Confident65.2Low29 Ų2976.5 Ų76.511%0.10936%0.359CS..Hα-helixtrans-60.2-46.8175.1-167.4-172.8177.480.5-1.5111.8S851 R856 A857 R858 D881 G921 L924 T925 Q928S851-R854 PolarHBondContact O-N 3.06Å; R854-R856 VanDerWaalsContact C-N 3.32Å; R854-R856 PolarHBondContact O-N 2.95Å; R854-A857 PolarHBondContact O-N 2.87Å; R854-R858 WeakPolarHBondContact O-CB 3.4Å; R854-R858 PolarHBondContact O-N 3.26Å; R854-D881 IonicContact CZ-OD2 3.36Å; R854-D881 IonicContact NE-OD2 3.92Å; R854-D881 IonicContact NH2-OD1 3.28Å; R854-D881 PolarHBondContact NH2-OD1 3.12Å; R854-D881 IonicContact NH2-OD2 3.54Å; R854-D881 PolarHBondContact NH2-OD2 2.87Å; R854-G921 PolarHBondContact NH2-O 3.36Å; R854-G921 VanDerWaalsContact NH2-O 3.13Å; R854-L924 HydrophobicContact CG-CB 3.98Å; R854-L924 HydrophobicContact CG-CD1 4.27Å; R854-L924 HydrophobicContact CG-CG 4.5Å; R854-T925 PolarHBondContact NH1-OG1 3.16Å; R854-Q928 HydrophobicContact CB-CG 4.11Å; R854-Q928 HydrophobicContact CG-CG 4.35Å
855E82Confident66.8Low65 Ų6571.7 Ų71.730%0.30433%0.333SS..Hα-helixtrans-67.7-32.6177.8-68.6-44.5140.100112.1S851 R858 K859S851-E855 WeakPolarHBondContact O-CB 3.4Å; S851-E855 VanDerWaalsContact O-CG 3.24Å; S851-E855 WeakPolarHBondContact O-CG 3.39Å; S851-E855 PolarHBondContact O-N 2.92Å; E855-R858 PolarHBondContact O-N 2.64Å; E855-R858 IonicContact OE1-CZ 3.78Å; E855-R858 IonicContact OE1-NH1 2.7Å; E855-R858 PolarHBondContact OE1-NH1 3.35Å; E855-R858 IonicContact OE1-NH2 3.69Å; E855-R858 IonicContact OE2-CZ 3.98Å; E855-R858 IonicContact OE2-NE 3.09Å; E855-R858 IonicContact OE2-NH1 2.69Å; E855-R858 PolarHBondContact OE2-NH1 2.86Å; E855-K859 WeakPolarHBondContact O-CB 3.48Å; E855-K859 PolarHBondContact O-N 3.08Å
856R83Confident67.8Low93 Ų9368.1 Ų68.135%0.35131%0.312SS..Hα-helixtrans-65.7-44.4174.6-162.3-178.9-174.4-164.31.6111.1R852 G853 R854 K859 V860 L905 E931R852-R856 WeakPolarHBondContact O-CB 3.47Å; R852-R856 PolarHBondContact O-N 2.96Å; G853-R856 PolarHBondContact O-N 2.81Å; R854-R856 VanDerWaalsContact C-N 3.32Å; R854-R856 PolarHBondContact O-N 2.95Å; R856-K859 WeakPolarHBondContact O-CB 3.45Å; R856-K859 PolarHBondContact O-N 2.71Å; R856-V860 PolarHBondContact O-N 3.01Å; R856-L905 HydrophobicContact CG-CD1 4.19Å; R856-E931 IonicContact NH1-OE1 3.21Å
857A86.8Confident69.1Low0 Ų060.2 Ų60.20%029%0.286CS..Hα-helixtrans-64.7-39.1172.500000112.1G853 R854 K859 V860 L861 L902 F907 L924 L927G853-A857 PolarHBondContact O-N 3.15Å; R854-A857 PolarHBondContact O-N 2.87Å; A857-K859 VanDerWaalsContact C-N 3.31Å; A857-K859 PolarHBondContact O-N 3.32Å; A857-V860 WeakPolarHBondContact O-CB 3.28Å; A857-V860 PolarHBondContact O-N 3.04Å; A857-L861 PolarHBondContact O-N 3.17Å; A857-L902 HydrophobicContact CB-CD2 3.67Å; A857-F907 HydrophobicContact CB-CE1 4.34Å; A857-F907 HydrophobicContact CB-CE2 4.23Å; A857-F907 HydrophobicContact CB-CZ 3.98Å; A857-L924 HydrophobicContact CB-CD2 3.63Å; A857-L927 HydrophobicContact CB-CD1 3.9Å
858R87.8Confident69.7Low8 Ų862 Ų623%0.0329%0.285CS..Hα-helixtrans-63.8-37.4176.2-169.3-178.2-70.9147.3-0.4111.9R854 E855 V860 L861 A862 P879 D881 L924R854-R858 WeakPolarHBondContact O-CB 3.4Å; R854-R858 PolarHBondContact O-N 3.26Å; E855-R858 PolarHBondContact O-N 2.64Å; E855-R858 IonicContact OE1-CZ 3.78Å; E855-R858 IonicContact OE1-NH1 2.7Å; E855-R858 PolarHBondContact OE1-NH1 3.35Å; E855-R858 IonicContact OE1-NH2 3.69Å; E855-R858 IonicContact OE2-CZ 3.98Å; E855-R858 IonicContact OE2-NE 3.09Å; E855-R858 IonicContact OE2-NH1 2.69Å; E855-R858 PolarHBondContact OE2-NH1 2.86Å; R858-V860 VanDerWaalsContact C-N 3.33Å; R858-L861 WeakPolarHBondContact O-CB 3.36Å; R858-L861 PolarHBondContact O-N 3.07Å; R858-A862 PolarHBondContact O-N 2.69Å; R858-P879 WeakPolarHBondContact CD-O 3.32Å; R858-P879 HydrophobicContact CG-CG 4.02Å; R858-D881 IonicContact CZ-OD1 2.9Å; R858-D881 IonicContact NE-OD1 3.49Å; R858-D881 IonicContact NH2-OD1 3.6Å; R858-D881 PolarHBondContact NH2-OD1 3.17Å; R858-D881 IonicContact NH2-OD2 2.67Å; R858-D881 PolarHBondContact NH2-OD2 3.02Å; R858-L924 HydrophobicContact CB-CD1 3.85Å; R858-L924 HydrophobicContact CB-CD2 4Å; R858-L924 HydrophobicContact CG-CD1 3.99Å; R858-L924 VanDerWaalsContact NE-CD1 3.34Å
859K82.2Confident70Confident92 Ų9254.9 Ų54.940%0.426%0.258SS..Hα-helixtrans-61.5-42.1174.5-173172.8175.2177.90111.4E855 R856 A857 A862 E863 V874E855-K859 WeakPolarHBondContact O-CB 3.48Å; E855-K859 PolarHBondContact O-N 3.08Å; R856-K859 WeakPolarHBondContact O-CB 3.45Å; R856-K859 PolarHBondContact O-N 2.71Å; A857-K859 VanDerWaalsContact C-N 3.31Å; A857-K859 PolarHBondContact O-N 3.32Å; K859-A862 PolarHBondContact O-N 3.29Å; K859-E863 WeakPolarHBondContact CE-OE1 3.37Å; K859-E863 WeakPolarHBondContact O-CB 3.06Å; K859-E863 WeakPolarHBondContact O-CG 3.18Å; K859-E863 PolarHBondContact O-N 3.33Å; K859-V874 HydrophobicContact CD-CG1 4.1Å; K859-V874 HydrophobicContact CG-CG1 3.97Å
860V84.7Confident69.8Low7 Ų753.1 Ų53.14%0.04226%0.264CS..Hα-helixtrans-61.3-45.8173.2177.10000111.3R856 A857 R858 A862 E863 V864 T898 Q901 L902 L905R856-V860 PolarHBondContact O-N 3.01Å; A857-V860 WeakPolarHBondContact O-CB 3.28Å; A857-V860 PolarHBondContact O-N 3.04Å; R858-V860 VanDerWaalsContact C-N 3.33Å; V860-A862 VanDerWaalsContact C-N 3.33Å; V860-A862 PolarHBondContact O-N 3.02Å; V860-E863 PolarHBondContact O-N 2.89Å; V860-V864 HydrophobicContact CG1-CG2 4.27Å; V860-V864 WeakPolarHBondContact O-CG2 3.16Å; V860-V864 PolarHBondContact O-N 2.94Å; V860-T898 HydrophobicContact CG1-CG2 4.16Å; V860-Q901 HydrophobicContact CG1-CB 3.64Å; V860-L902 HydrophobicContact CB-CD2 4.02Å; V860-L902 HydrophobicContact CB-CG 4.48Å; V860-L902 HydrophobicContact CG1-CD2 4.17Å; V860-L902 HydrophobicContact CG1-CG 4.09Å; V860-L902 HydrophobicContact CG2-CD2 4.21Å; V860-L905 HydrophobicContact CG2-CD1 3.35Å
861L82.9Confident69.5Low0 Ų054.9 Ų54.90%027%0.274CS..Hα-helixtrans-57.7-46.3175.9-70.2166.2000111.4A857 R858 V864 L865 P879 F885 T898 F914 I920 I923 L924A857-L861 PolarHBondContact O-N 3.17Å; R858-L861 WeakPolarHBondContact O-CB 3.36Å; R858-L861 PolarHBondContact O-N 3.07Å; L861-V864 PolarHBondContact O-N 2.83Å; L861-L865 WeakPolarHBondContact O-CB 3.39Å; L861-L865 WeakPolarHBondContact O-CD1 3.19Å; L861-L865 WeakPolarHBondContact O-CG 3.44Å; L861-L865 PolarHBondContact O-N 2.72Å; L861-P879 HydrophobicContact CB-CG 4.37Å; L861-F885 HydrophobicContact CD2-CD2 3.68Å; L861-F885 HydrophobicContact CD2-CE2 3.76Å; L861-T898 HydrophobicContact CD2-CG2 3.61Å; L861-T898 HydrophobicContact CG-CG2 4.34Å; L861-F914 HydrophobicContact CD2-CE1 3.9Å; L861-F914 HydrophobicContact CD2-CZ 4.19Å; L861-I920 HydrophobicContact CD1-CD1 4.08Å; L861-I920 HydrophobicContact CD1-CG2 4.18Å; L861-I920 HydrophobicContact CD2-CD1 4.44Å; L861-I923 HydrophobicContact CD1-CG2 4.32Å; L861-I923 HydrophobicContact CD2-CG2 4.46Å; L861-L924 HydrophobicContact CD1-CD1 4.48Å; L861-L924 HydrophobicContact CD1-CD2 3.62Å; L861-L924 HydrophobicContact CD1-CG 3.87Å
862A76Confident68.8Low4 Ų453.9 Ų53.93%0.03327%0.272CS..Hα-helixtrans-61.9-43.3177.700000112.2R858 K859 V860 L865 G866 I867 P879R858-A862 PolarHBondContact O-N 2.69Å; K859-A862 PolarHBondContact O-N 3.29Å; V860-A862 VanDerWaalsContact C-N 3.33Å; V860-A862 PolarHBondContact O-N 3.02Å; A862-L865 CarbonylContact O-C 3.51Å; A862-L865 PolarHBondContact O-N 3.01Å; A862-G866 PolarHBondContact O-N 3.29Å; A862-I867 PolarHBondContact O-N 3.36Å; A862-P879 HydrophobicContact CB-CG 4.17Å
863E73.4Confident67.4Low91 Ų9150.9 Ų50.943%0.42527%0.27SS..Hα-helixtrans-64.7-45.2178.7-77.9176.2-170.100112.1K859 V860 G866K859-E863 WeakPolarHBondContact CE-OE1 3.37Å; K859-E863 WeakPolarHBondContact O-CB 3.06Å; K859-E863 WeakPolarHBondContact O-CG 3.18Å; K859-E863 PolarHBondContact O-N 3.33Å; V860-E863 PolarHBondContact O-N 2.89Å; E863-G866 PolarHBondContact O-N 2.84Å; E863-G866 VanDerWaalsContact O-N 3.11Å
864V70.4Confident65.8Low12 Ų1253.4 Ų53.47%0.07328%0.284CS..Hα-helixtrans-68.1-38.8178.4177.60000111.4V860 L861 G866 L894 L897 T898V860-V864 HydrophobicContact CG1-CG2 4.27Å; V860-V864 WeakPolarHBondContact O-CG2 3.16Å; V860-V864 PolarHBondContact O-N 2.94Å; L861-V864 PolarHBondContact O-N 2.83Å; V864-G866 PolarHBondContact O-N 3.26Å; V864-L894 HydrophobicContact CG1-CB 3.87Å; V864-L894 HydrophobicContact CG1-CD2 3.6Å; V864-L894 HydrophobicContact CG1-CG 4.26Å; V864-L897 HydrophobicContact CG1-CD2 4.3Å; V864-T898 VanDerWaalsContact CG1-OG1 3.28Å; V864-T898 WeakPolarHBondContact CG1-OG1 3.19Å
865L66.6Low63.6Low2 Ų256.4 Ų56.41%0.0130%0.301CS..THydrogen-bonded Turntrans-75-2.1173.6-67.1170.5000112.8H721 L861 A862 I867 F885 L888 G890 I920H721-L865 PolarHBondContact CE1-O 3.25Å; H721-L865 PolarHBondContact NE2-O 3Å; L861-L865 WeakPolarHBondContact O-CB 3.39Å; L861-L865 WeakPolarHBondContact O-CD1 3.19Å; L861-L865 WeakPolarHBondContact O-CG 3.44Å; L861-L865 PolarHBondContact O-N 2.72Å; A862-L865 CarbonylContact O-C 3.51Å; A862-L865 PolarHBondContact O-N 3.01Å; L865-I867 HydrophobicContact CB-CD1 3.86Å; L865-I867 HydrophobicContact CB-CG1 3.79Å; L865-I867 HydrophobicContact CD1-CD1 4.08Å; L865-I867 PolarHBondContact O-N 3.4Å; L865-F885 HydrophobicContact CD1-CD2 3.83Å; L865-F885 HydrophobicContact CD1-CE2 4.14Å; L865-F885 HydrophobicContact CD2-CD2 3.93Å; L865-F885 HydrophobicContact CD2-CE2 3.77Å; L865-F885 HydrophobicContact CD2-CG 4.44Å; L865-F885 HydrophobicContact CD2-CZ 4.14Å; L865-F885 WeakPolarHBondContact CD2-O 3.37Å; L865-F885 HydrophobicContact CG-CD2 4.04Å; L865-F885 HydrophobicContact CG-CE2 3.86Å; L865-L888 HydrophobicContact CD1-CB 3.93Å; L865-L888 HydrophobicContact CD1-CD1 4.01Å; L865-L888 HydrophobicContact CD2-CB 4.28Å; L865-G890 VanDerWaalsContact CD2-CA 3.5Å; L865-G890 VanDerWaalsContact CD2-N 3.26Å; L865-I920 HydrophobicContact CD1-CD1 4.25Å
866G60.7Low61.8Low28 Ų2858.8 Ų58.829%0.28932%0.322SS..THydrogen-bonded Turntrans64.321.9177.700000114.6A862 E863 V864 R868A862-G866 PolarHBondContact O-N 3.29Å; E863-G866 PolarHBondContact O-N 2.84Å; E863-G866 VanDerWaalsContact O-N 3.11Å; V864-G866 PolarHBondContact O-N 3.26Å; G866-R868 PolarHBondContact O-N 2.97Å
867I63.8Low60.3Low45 Ų4555.5 Ų55.523%0.23132%0.317CS..  trans-80.6109.6-177.8-51.1174.7000108.3A862 L865 G877 P879 L888A862-I867 PolarHBondContact O-N 3.36Å; L865-I867 HydrophobicContact CB-CD1 3.86Å; L865-I867 HydrophobicContact CB-CG1 3.79Å; L865-I867 HydrophobicContact CD1-CD1 4.08Å; L865-I867 PolarHBondContact O-N 3.4Å; I867-G877 WeakPolarHBondContact CG2-O 3.37Å; I867-P879 HydrophobicContact CD1-CB 4.16Å; I867-P879 HydrophobicContact CD1-CG 4.41Å; I867-L888 HydrophobicContact CD1-CB 4.43Å; I867-L888 HydrophobicContact CD1-CD1 4.06Å; I867-L888 HydrophobicContact CD1-CD2 4.36Å
868R50.8Low59.3Low133 Ų13361.4 Ų61.450%0.50234%0.339SS..  trans-129.3150.5177.7-68.5-165.6-180-153.90.6111.7G866G866-R868 PolarHBondContact O-N 2.97Å
869G45.2Very low58.5Low13 Ų1361 Ų6113%0.13434%0.338CS..  trans-77.9165.3170.200000112N871 G872G869-N871 PolarHBondContact O-N 3.03Å; G869-G872 PolarHBondContact O-N 3.47Å
870P39.9Very low58.2Low135 Ų13562 Ų6288%0.87734%0.342SS*.THydrogen-bonded Turntrans-61-12.8-17420.2-30.9000115.6
871N40.8Very low57.9Low142 Ų14264.5 Ų64.576%0.75936%0.355SS*.THydrogen-bonded Turntrans-1099.2-177.6-63.2-8.5000114.2G869 D873G869-N871 PolarHBondContact O-N 3.03Å; N871-D873 PolarHBondContact O-N 3.36Å; N871-D873 VanDerWaalsContact O-N 3.09Å
872G41.7Very low57.6Low30 Ų3069.8 Ų69.831%0.30938%0.383SS..SBendtrans76.9-13.1177.500000116.4G869G869-G872 PolarHBondContact O-N 3.47Å
873D39.2Very low57.6Low130 Ų13072.3 Ų72.370%0.69539%0.394SS*.SBendtrans-76.1147.7171.5-71.7-35.2000112.4N871 I875N871-D873 PolarHBondContact O-N 3.36Å; N871-D873 VanDerWaalsContact O-N 3.09Å; D873-I875 PolarHBondContact O-N 3.44Å; D873-I875 VanDerWaalsContact O-N 3.11Å
874V39.1Very low57.7Low63 Ų6369.4 Ų69.438%0.38238%0.382SS..SBendtrans-75.4104.6-178.8-1780000110K859K859-V874 HydrophobicContact CD-CG1 4.1Å; K859-V874 HydrophobicContact CG-CG1 3.97Å
875I39.6Very low57.8Low91 Ų9168.9 Ų68.947%0.46738%0.378SS..  trans100.6126.3165.7-57.6164.6000113.9D873 R878D873-I875 PolarHBondContact O-N 3.44Å; D873-I875 VanDerWaalsContact O-N 3.11Å; I875-R878 HydrophobicContact CG1-CB 4.47Å; I875-R878 HydrophobicContact CG2-CB 4.41Å
876P43.5Very low57.8Low116 Ų11672.1 Ų72.175%0.75339%0.391SS*.SBendcis-121.589.436.137.3-20.9000115.6
877G50.5Low57.9Low23 Ų2373.9 Ų73.924%0.23739%0.393CS..  trans-127.183136.900000106.1I867I867-G877 WeakPolarHBondContact CG2-O 3.37Å
878R66Low57.8Low125 Ų12574.1 Ų74.147%0.47240%0.395SS..PPolyproline II helixtrans-94.2131.7176.299.7179.4-171.7-1680.8107.4I875 K880I875-R878 HydrophobicContact CG1-CB 4.47Å; I875-R878 HydrophobicContact CG2-CB 4.41Å; R878-K880 PolarHBondContact O-N 3.16Å
879P72.4Confident57.9Low0 Ų068.2 Ų68.20%038%0.375CS..PPolyproline II helixtrans-61.5121.6170.523.6-29.8000108.7R858 L861 A862 I867 E883 L888 I920R858-P879 WeakPolarHBondContact CD-O 3.32Å; R858-P879 HydrophobicContact CG-CG 4.02Å; L861-P879 HydrophobicContact CB-CG 4.37Å; A862-P879 HydrophobicContact CB-CG 4.17Å; I867-P879 HydrophobicContact CD1-CB 4.16Å; I867-P879 HydrophobicContact CD1-CG 4.41Å; P879-E883 VanDerWaalsContact CA-OE2 3.24Å; P879-E883 WeakPolarHBondContact CA-OE2 3.46Å; P879-L888 HydrophobicContact CB-CD1 3.6Å; P879-I920 HydrophobicContact CB-CD1 4.07Å; P879-I920 HydrophobicContact CB-CG1 4.03Å; P879-I920 HydrophobicContact CB-CG2 4.17Å; P879-I920 HydrophobicContact CG-CG2 4.49Å
880K74.7Confident58.5Low111 Ų11167.6 Ų67.648%0.48337%0.369SS..PPolyproline II helixtrans-77.2157.8-179.1-58.2175.9-175.7167.10110.1R878 D882 E883 I920R878-K880 PolarHBondContact O-N 3.16Å; K880-D882 WeakPolarHBondContact CB-OD1 3.4Å; K880-D882 PolarHBondContact O-N 3.22Å; K880-E883 HydrophobicContact CB-CG 3.99Å; K880-E883 PolarHBondContact N-OE2 2.9Å; K880-E883 WeakPolarHBondContact O-CB 3.46Å; K880-E883 PolarHBondContact O-N 3.14Å; K880-I920 WeakPolarHBondContact O-CB 3.37Å
881D79.5Confident59.4Low61 Ų6161.9 Ų61.933%0.32633%0.331SS..THydrogen-bonded Turntrans-65.7-27.2-174.9-75.8-0.8000113.2R854 R858 G921R854-D881 IonicContact CZ-OD2 3.36Å; R854-D881 IonicContact NE-OD2 3.92Å; R854-D881 IonicContact NH2-OD1 3.28Å; R854-D881 PolarHBondContact NH2-OD1 3.12Å; R854-D881 IonicContact NH2-OD2 3.54Å; R854-D881 PolarHBondContact NH2-OD2 2.87Å; R858-D881 IonicContact CZ-OD1 2.9Å; R858-D881 IonicContact NE-OD1 3.49Å; R858-D881 IonicContact NH2-OD1 3.6Å; R858-D881 PolarHBondContact NH2-OD1 3.17Å; R858-D881 IonicContact NH2-OD2 2.67Å; R858-D881 PolarHBondContact NH2-OD2 3.02Å; D881-G921 WeakPolarHBondContact O-CA 3.16Å; D881-G921 PolarHBondContact O-N 3.36Å
882D76.8Confident60.3Low110 Ų11058 Ų5859%0.58832%0.315SS*.THydrogen-bonded Turntrans-84.6-11.4176.361-42.3000113.8K880 K919K880-D882 WeakPolarHBondContact CB-OD1 3.4Å; K880-D882 PolarHBondContact O-N 3.22Å; D882-K919 WeakPolarHBondContact O-CD 3.34Å; D882-K919 PolarHBondContact O-NZ 2.92Å
883E74Confident61.1Low57 Ų5757.1 Ų57.127%0.26630%0.303SS..SBendtrans-78157.9174.3-68.8169.4174.400111.1P879 K880 L888 K919 I920P879-E883 VanDerWaalsContact CA-OE2 3.24Å; P879-E883 WeakPolarHBondContact CA-OE2 3.46Å; K880-E883 HydrophobicContact CB-CG 3.99Å; K880-E883 PolarHBondContact N-OE2 2.9Å; K880-E883 WeakPolarHBondContact O-CB 3.46Å; K880-E883 PolarHBondContact O-N 3.14Å; E883-L888 HydrophobicContact CB-CD1 3.84Å; E883-L888 HydrophobicContact CB-CG 4.29Å; E883-K919 WeakPolarHBondContact O-CA 3.44Å; E883-I920 WeakPolarHBondContact O-CG1 3.38Å; E883-I920 PolarHBondContact O-N 2.74Å
884D76.9Confident62.3Low31 Ų3151.9 Ų51.917%0.16628%0.275CS..BIsolated β-bridgetrans-110.8130.4-178.8-172.4-72.7000110.5Y886 L887 L888 G918 K919D884-Y886 PolarHBondContact O-N 2.66Å; D884-Y886 WeakPolarHBondContact OD1-CA 3.42Å; D884-Y886 WeakPolarHBondContact OD1-CB 3.33Å; D884-Y886 PolarHBondContact OD1-N 2.76Å; D884-L887 HydrophobicContact CB-CB 4.03Å; D884-L887 HydrophobicContact CB-CD1 3.78Å; D884-L887 HydrophobicContact CB-CG 3.8Å; D884-L887 PolarHBondContact O-N 3.14Å; D884-L887 VanDerWaalsContact O-N 3.12Å; D884-L887 PolarHBondContact OD1-N 3.39Å; D884-L888 WeakPolarHBondContact O-CG 3.43Å; D884-L888 PolarHBondContact O-N 2.75Å; D884-G918 CarbonylContact C-O 3.48Å; D884-G918 WeakPolarHBondContact CA-O 3.35Å; D884-G918 WeakPolarHBondContact OD2-CA 3.43Å; D884-K919 PolarHBondContact OD2-N 3.03Å
885F73.2Confident63.7Low0 Ų049.1 Ų49.10%026%0.258CS..THydrogen-bonded Turntrans-51.3-43.3178.9-179.8-94.6000112L861 L865 G890 L894 T895 F914 G918 I920 I923L861-F885 HydrophobicContact CD2-CD2 3.68Å; L861-F885 HydrophobicContact CD2-CE2 3.76Å; L865-F885 HydrophobicContact CD1-CD2 3.83Å; L865-F885 HydrophobicContact CD1-CE2 4.14Å; L865-F885 HydrophobicContact CD2-CD2 3.93Å; L865-F885 HydrophobicContact CD2-CE2 3.77Å; L865-F885 HydrophobicContact CD2-CG 4.44Å; L865-F885 HydrophobicContact CD2-CZ 4.14Å; L865-F885 WeakPolarHBondContact CD2-O 3.37Å; L865-F885 HydrophobicContact CG-CD2 4.04Å; L865-F885 HydrophobicContact CG-CE2 3.86Å; F885-G890 VanDerWaalsContact CE1-CA 3.47Å; F885-G890 WeakPolarHBondContact O-CA 3.35Å; F885-G890 PolarHBondContact O-N 3.37Å; F885-L894 HydrophobicContact CE1-CB 4.27Å; F885-L894 HydrophobicContact CZ-CB 3.91Å; F885-T895 HydrophobicContact CD1-CG2 3.95Å; F885-T895 HydrophobicContact CE1-CG2 3.44Å; F885-T895 VanDerWaalsContact CE1-CG2 3.44Å; F885-T895 HydrophobicContact CZ-CG2 4.25Å; F885-F914 HydrophobicContact CD1-CD1 4.21Å; F885-F914 HydrophobicContact CD2-CE1 4.13Å; F885-F914 HydrophobicContact CE1-CD1 4.36Å; F885-F914 HydrophobicContact CE2-CE1 4.11Å; F885-F914 HydrophobicContact CG-CD1 4.31Å; F885-F914 HydrophobicContact CG-CE1 4.35Å; F885-F914 HydrophobicContact CZ-CE1 4.32Å; F885-G918 VanDerWaalsContact CB-O 3.29Å; F885-G918 WeakPolarHBondContact CB-O 3.45Å; F885-G918 PolarHBondContact N-O 2.88Å; F885-I920 HydrophobicContact CB-CD1 3.96Å; F885-I920 HydrophobicContact CD2-CD1 4.19Å; F885-I923 HydrophobicContact CB-CD1 3.92Å; F885-I923 HydrophobicContact CG-CD1 4.46Å
886Y65.5Low64.9Low71 Ų7144.9 Ų44.928%0.27824%0.237SC..THydrogen-bonded Turntrans-74.6-33.6-178.3-59.2-76.5000112.2K726 D884 G889 G890 T895 F914K726-Y886 PolarHBondContact NZ-O 3.41Å; D884-Y886 PolarHBondContact O-N 2.66Å; D884-Y886 WeakPolarHBondContact OD1-CA 3.42Å; D884-Y886 WeakPolarHBondContact OD1-CB 3.33Å; D884-Y886 PolarHBondContact OD1-N 2.76Å; Y886-G889 PolarHBondContact O-N 3.08Å; Y886-G890 WeakPolarHBondContact CA-O 3.44Å; Y886-G890 WeakPolarHBondContact CD1-O 3.42Å; Y886-T895 HydrophobicContact CE1-CG2 3.8Å; Y886-T895 WeakPolarHBondContact OH-CG2 3.2Å; Y886-F914 PolarHBondContact OH-O 2.62Å
887L61.8Low66Low64 Ų6440.6 Ų40.634%0.33521%0.207SC..THydrogen-bonded Turntrans-69.6-34.8174.4-65.8-178.8000112.6Q759 T777 D884 G889Q759-L887 VanDerWaalsContact NE2-CD2 3.32Å; Q759-L887 VanDerWaalsContact OE1-CD2 3.27Å; T777-L887 HydrophobicContact CG2-CD2 4.41Å; D884-L887 HydrophobicContact CB-CB 4.03Å; D884-L887 HydrophobicContact CB-CD1 3.78Å; D884-L887 HydrophobicContact CB-CG 3.8Å; D884-L887 PolarHBondContact O-N 3.14Å; D884-L887 VanDerWaalsContact O-N 3.12Å; D884-L887 PolarHBondContact OD1-N 3.39Å; L887-G889 PolarHBondContact O-N 3.24Å; L887-G889 VanDerWaalsContact O-N 3.11Å
888L62.4Low67.3Low51 Ų5139.5 Ų39.527%0.26720%0.196SC..THydrogen-bonded Turntrans-73.97.6175.6-69.4174.2000113.6L865 I867 P879 E883 D884 I920L865-L888 HydrophobicContact CD1-CB 3.93Å; L865-L888 HydrophobicContact CD1-CD1 4.01Å; L865-L888 HydrophobicContact CD2-CB 4.28Å; I867-L888 HydrophobicContact CD1-CB 4.43Å; I867-L888 HydrophobicContact CD1-CD1 4.06Å; I867-L888 HydrophobicContact CD1-CD2 4.36Å; P879-L888 HydrophobicContact CB-CD1 3.6Å; E883-L888 HydrophobicContact CB-CD1 3.84Å; E883-L888 HydrophobicContact CB-CG 4.29Å; D884-L888 WeakPolarHBondContact O-CG 3.43Å; D884-L888 PolarHBondContact O-N 2.75Å; L888-I920 HydrophobicContact CD1-CD1 4.43Å; L888-I920 HydrophobicContact CD1-CG1 4.22Å
889G53.7Low68Low8 Ų833.6 Ų33.68%0.08217%0.174CC..THydrogen-bonded Turntrans104.3-5.7178.300000114.4K726 Y886 L887K726-G889 PolarHBondContact NZ-O 2.93Å; Y886-G889 PolarHBondContact O-N 3.08Å; L887-G889 PolarHBondContact O-N 3.24Å; L887-G889 VanDerWaalsContact O-N 3.11Å
890G57.7Low68.1Low0 Ų033.7 Ų33.70%017%0.174CC..  trans-62.2149.2175.100000113.2K726 L865 F885 Y886K726-G890 VanDerWaalsContact CE-O 3.3Å; K726-G890 WeakPolarHBondContact CE-O 3.44Å; K726-G890 PolarHBondContact NZ-O 2.9Å; L865-G890 VanDerWaalsContact CD2-CA 3.5Å; L865-G890 VanDerWaalsContact CD2-N 3.26Å; F885-G890 VanDerWaalsContact CE1-CA 3.47Å; F885-G890 WeakPolarHBondContact O-CA 3.35Å; F885-G890 PolarHBondContact O-N 3.37Å; Y886-G890 WeakPolarHBondContact CA-O 3.44Å; Y886-G890 WeakPolarHBondContact CD1-O 3.42Å
891D58.6Low68.3Low15 Ų1530.7 Ų30.78%0.0816%0.162CC..  trans-145.3179.9175.562.622.4000110D724 L893 L894 T895D724-D891 WeakPolarHBondContact CB-OD2 3.35Å; D891-L893 PolarHBondContact O-N 2.92Å; D891-L893 VanDerWaalsContact O-N 3.14Å; D891-L893 WeakPolarHBondContact OD1-CA 3.45Å; D891-L893 WeakPolarHBondContact OD1-CB 3.33Å; D891-L893 PolarHBondContact OD1-N 2.89Å; D891-L894 PolarHBondContact O-N 3.18Å; D891-L894 VanDerWaalsContact O-N 3.1Å; D891-L894 WeakPolarHBondContact OD1-CG 3.04Å; D891-L894 PolarHBondContact OD1-N 3.4Å; D891-T895 VanDerWaalsContact O-CG2 3.32Å; D891-T895 WeakPolarHBondContact O-CG2 3.26Å; D891-T895 PolarHBondContact O-N 2.73Å
892S59.9Low68.5Low62 Ų6227.8 Ų27.843%0.43415%0.146SC..Hα-helixtrans-54.5-33.2178.351.10000112.8T895 V896S892-T895 PolarHBondContact O-OG1 2.94Å; S892-V896 VanDerWaalsContact O-CG2 3.27Å; S892-V896 WeakPolarHBondContact O-CG2 3.32Å; S892-V896 PolarHBondContact O-N 3.06Å
893L57.3Low68.8Low10 Ų1025.5 Ų25.55%0.05213%0.129CC..Hα-helixtrans-68.6-46.6177.8-16579.4000111.2T425 L429 D891 V896 L897T425-L893 WeakPolarHBondContact O-CD1 3.15Å; L429-L893 HydrophobicContact CB-CD1 3.46Å; L429-L893 VanDerWaalsContact CB-CD1 3.46Å; L429-L893 HydrophobicContact CD1-CD1 3.72Å; L429-L893 HydrophobicContact CD1-CG 3.95Å; L429-L893 WeakPolarHBondContact CD1-O 3.39Å; L429-L893 HydrophobicContact CD2-CD1 3.85Å; L429-L893 HydrophobicContact CG-CD1 3.84Å; D891-L893 PolarHBondContact O-N 2.92Å; D891-L893 VanDerWaalsContact O-N 3.14Å; D891-L893 WeakPolarHBondContact OD1-CA 3.45Å; D891-L893 WeakPolarHBondContact OD1-CB 3.33Å; D891-L893 PolarHBondContact OD1-N 2.89Å; L893-V896 PolarHBondContact O-N 3Å; L893-L897 PolarHBondContact O-N 2.82Å; L893-L897 VanDerWaalsContact O-N 3.15Å
894L64.1Low68.8Low20 Ų2027.5 Ų27.511%0.10514%0.139CC..Hα-helixtrans-69.6-33.4179.6-67.3173.6000111.8V864 F885 D891 V896 L897 T898V864-L894 HydrophobicContact CG1-CB 3.87Å; V864-L894 HydrophobicContact CG1-CD2 3.6Å; V864-L894 HydrophobicContact CG1-CG 4.26Å; F885-L894 HydrophobicContact CE1-CB 4.27Å; F885-L894 HydrophobicContact CZ-CB 3.91Å; D891-L894 PolarHBondContact O-N 3.18Å; D891-L894 VanDerWaalsContact O-N 3.1Å; D891-L894 WeakPolarHBondContact OD1-CG 3.04Å; D891-L894 PolarHBondContact OD1-N 3.4Å; L894-V896 VanDerWaalsContact C-N 3.29Å; L894-V896 PolarHBondContact O-N 2.74Å; L894-L897 PolarHBondContact O-N 2.74Å; L894-T898 VanDerWaalsContact O-CB 3.32Å; L894-T898 WeakPolarHBondContact O-CB 3.38Å; L894-T898 PolarHBondContact O-N 2.82Å; L894-T898 PolarHBondContact O-OG1 2.66Å
895T69.9Low68.8Low5 Ų528.3 Ų28.33%0.03114%0.143CC..Hα-helixtrans-59.4-42.3173.862.20000111.7F885 Y886 D891 S892 T898 T899 F914F885-T895 HydrophobicContact CD1-CG2 3.95Å; F885-T895 HydrophobicContact CE1-CG2 3.44Å; F885-T895 VanDerWaalsContact CE1-CG2 3.44Å; F885-T895 HydrophobicContact CZ-CG2 4.25Å; Y886-T895 HydrophobicContact CE1-CG2 3.8Å; Y886-T895 WeakPolarHBondContact OH-CG2 3.2Å; D891-T895 VanDerWaalsContact O-CG2 3.32Å; D891-T895 WeakPolarHBondContact O-CG2 3.26Å; D891-T895 PolarHBondContact O-N 2.73Å; S892-T895 PolarHBondContact O-OG1 2.94Å; T895-T898 PolarHBondContact O-N 2.97Å; T895-T899 WeakPolarHBondContact O-CB 3.4Å; T895-T899 PolarHBondContact O-N 2.84Å; T895-T899 PolarHBondContact O-OG1 3.24Å; T895-F914 HydrophobicContact CG2-CB 3.42Å; T895-F914 VanDerWaalsContact CG2-CB 3.42Å; T895-F914 HydrophobicContact CG2-CD1 3.64Å; T895-F914 HydrophobicContact CG2-CD2 4.46Å; T895-F914 HydrophobicContact CG2-CG 3.6Å
896V64.8Low68.8Low2 Ų228.9 Ų28.91%0.01215%0.149CC..Hα-helixtrans-66.3-44.5178.6174.20000110.8T403 L429 Q433 S892 L893 L894 T899 E900 L911T403-V896 HydrophobicContact CG2-CG2 3.81Å; T403-V896 VanDerWaalsContact O-CG1 3.3Å; T403-V896 WeakPolarHBondContact O-CG1 3.46Å; L429-V896 HydrophobicContact CD1-CB 3.83Å; L429-V896 HydrophobicContact CD1-CG1 3.69Å; L429-V896 HydrophobicContact CD2-CB 3.68Å; L429-V896 HydrophobicContact CD2-CG1 3.53Å; L429-V896 HydrophobicContact CD2-CG2 3.71Å; L429-V896 HydrophobicContact CG-CB 4.18Å; L429-V896 HydrophobicContact CG-CG1 3.76Å; Q433-V896 HydrophobicContact CG-CG1 4.3Å; S892-V896 VanDerWaalsContact O-CG2 3.27Å; S892-V896 WeakPolarHBondContact O-CG2 3.32Å; S892-V896 PolarHBondContact O-N 3.06Å; L893-V896 PolarHBondContact O-N 3Å; L894-V896 VanDerWaalsContact C-N 3.29Å; L894-V896 PolarHBondContact O-N 2.74Å; V896-T899 PolarHBondContact O-N 3.43Å; V896-E900 PolarHBondContact O-N 3.02Å; V896-E900 VanDerWaalsContact O-N 3.08Å; V896-L911 HydrophobicContact CB-CD1 4.48Å; V896-L911 HydrophobicContact CB-CD2 4.12Å; V896-L911 HydrophobicContact CG1-CD1 4.39Å; V896-L911 HydrophobicContact CG2-CD1 3.87Å; V896-L911 HydrophobicContact CG2-CD2 3.26Å; V896-L911 HydrophobicContact CG2-CG 4.07Å
897L66.4Low69.5Low26 Ų2625.8 Ų25.814%0.13614%0.137CC..Hα-helixtrans-62.8-43.7176.3-176.464.8000111.8K432 L436 V864 L893 L894 E900 Q901K432-L897 HydrophobicContact CB-CD1 4.17Å; L436-L897 HydrophobicContact CD1-CD1 3.97Å; V864-L897 HydrophobicContact CG1-CD2 4.3Å; L893-L897 PolarHBondContact O-N 2.82Å; L893-L897 VanDerWaalsContact O-N 3.15Å; L894-L897 PolarHBondContact O-N 2.74Å; L897-E900 PolarHBondContact O-N 2.9Å; L897-Q901 PolarHBondContact O-N 2.66Å
898T76.8Confident70.2Confident0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-60.9-46.4176.9-52.90000110.6V860 L861 V864 L894 T895 E900 Q901 L902 F914V860-T898 HydrophobicContact CG1-CG2 4.16Å; L861-T898 HydrophobicContact CD2-CG2 3.61Å; L861-T898 HydrophobicContact CG-CG2 4.34Å; V864-T898 VanDerWaalsContact CG1-OG1 3.28Å; V864-T898 WeakPolarHBondContact CG1-OG1 3.19Å; L894-T898 VanDerWaalsContact O-CB 3.32Å; L894-T898 WeakPolarHBondContact O-CB 3.38Å; L894-T898 PolarHBondContact O-N 2.82Å; L894-T898 PolarHBondContact O-OG1 2.66Å; T895-T898 PolarHBondContact O-N 2.97Å; T898-E900 VanDerWaalsContact C-N 3.28Å; T898-E900 PolarHBondContact O-N 2.59Å; T898-Q901 PolarHBondContact O-N 2.76Å; T898-L902 HydrophobicContact CG2-CD1 3.9Å; T898-L902 HydrophobicContact CG2-CG 4.31Å; T898-L902 WeakPolarHBondContact O-CB 3.33Å; T898-L902 VanDerWaalsContact O-CG 3.25Å; T898-L902 WeakPolarHBondContact O-CG 3.07Å; T898-L902 PolarHBondContact O-N 2.73Å; T898-F914 HydrophobicContact CG2-CE1 4.19Å; T898-F914 HydrophobicContact CG2-CZ 3.59Å
899T80.7Confident71Confident1 Ų126.4 Ų26.41%0.00614%0.141CC..Hα-helixtrans-56-44.5177.3-59.80000110.7T895 V896 R903 V909 L911 F914T895-T899 WeakPolarHBondContact O-CB 3.4Å; T895-T899 PolarHBondContact O-N 2.84Å; T895-T899 PolarHBondContact O-OG1 3.24Å; V896-T899 PolarHBondContact O-N 3.43Å; T899-R903 VanDerWaalsContact O-CG 3.31Å; T899-R903 WeakPolarHBondContact O-CG 3.36Å; T899-R903 PolarHBondContact O-N 3.33Å; T899-V909 HydrophobicContact CG2-CG1 3.82Å; T899-V909 HydrophobicContact CG2-CG2 4.26Å; T899-V909 VanDerWaalsContact O-CG1 3.29Å; T899-V909 WeakPolarHBondContact O-CG1 3.47Å; T899-L911 HydrophobicContact CG2-CG 4.48Å; T899-F914 WeakPolarHBondContact OG1-CE2 3.09Å
900E76.2Confident71.9Confident3 Ų328.2 Ų28.21%0.01415%0.149CC..Hα-helixtrans-68.2-44.9179.1-173.455.9-149.400112.6Q433 L436 K437 V896 L897 T898 L902 R903 Q904Q433-E900 HydrophobicContact CB-CG 4.45Å; Q433-E900 HydrophobicContact CG-CB 4.38Å; Q433-E900 HydrophobicContact CG-CG 4.5Å; L436-E900 HydrophobicContact CB-CG 4.49Å; L436-E900 HydrophobicContact CD1-CB 4.48Å; L436-E900 HydrophobicContact CD1-CG 4.01Å; K437-E900 WeakPolarHBondContact CE-OE1 3.42Å; K437-E900 VanDerWaalsContact NZ-CD 3.31Å; K437-E900 IonicContact NZ-OE1 3.28Å; K437-E900 PolarHBondContact NZ-OE1 3.2Å; K437-E900 IonicContact NZ-OE2 2.73Å; K437-E900 PolarHBondContact NZ-OE2 3.01Å; V896-E900 PolarHBondContact O-N 3.02Å; V896-E900 VanDerWaalsContact O-N 3.08Å; L897-E900 PolarHBondContact O-N 2.9Å; T898-E900 VanDerWaalsContact C-N 3.28Å; T898-E900 PolarHBondContact O-N 2.59Å; E900-L902 VanDerWaalsContact C-N 3.31Å; E900-L902 PolarHBondContact O-N 3.2Å; E900-R903 WeakPolarHBondContact O-CB 3.43Å; E900-R903 PolarHBondContact O-N 3.1Å; E900-R903 VanDerWaalsContact O-N 3.17Å; E900-R903 IonicContact OE2-NH1 2.8Å; E900-Q904 WeakPolarHBondContact O-CG 3.42Å; E900-Q904 PolarHBondContact O-N 3.21Å
901Q78.4Confident72.4Confident47 Ų4728.9 Ų28.922%0.2215%0.153CC..Hα-helixtrans-61.7-39.4176.8-73.7-172.9-13.200112.2L436 V860 L897 T898 Q904 L905L436-Q901 HydrophobicContact CD1-CG 3.96Å; V860-Q901 HydrophobicContact CG1-CB 3.64Å; L897-Q901 PolarHBondContact O-N 2.66Å; T898-Q901 PolarHBondContact O-N 2.76Å; Q901-Q904 PolarHBondContact O-N 3.01Å; Q901-L905 WeakPolarHBondContact O-CG 3.15Å; Q901-L905 PolarHBondContact O-N 3.33Å
902L84.2Confident72.7Confident0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-63-43174-73.1171.1000111.6A857 V860 T898 E900 Q904 L905 G906 F907 V909 F914 L927A857-L902 HydrophobicContact CB-CD2 3.67Å; V860-L902 HydrophobicContact CB-CD2 4.02Å; V860-L902 HydrophobicContact CB-CG 4.48Å; V860-L902 HydrophobicContact CG1-CD2 4.17Å; V860-L902 HydrophobicContact CG1-CG 4.09Å; V860-L902 HydrophobicContact CG2-CD2 4.21Å; T898-L902 HydrophobicContact CG2-CD1 3.9Å; T898-L902 HydrophobicContact CG2-CG 4.31Å; T898-L902 WeakPolarHBondContact O-CB 3.33Å; T898-L902 VanDerWaalsContact O-CG 3.25Å; T898-L902 WeakPolarHBondContact O-CG 3.07Å; T898-L902 PolarHBondContact O-N 2.73Å; E900-L902 VanDerWaalsContact C-N 3.31Å; E900-L902 PolarHBondContact O-N 3.2Å; L902-Q904 VanDerWaalsContact C-N 3.3Å; L902-Q904 PolarHBondContact O-N 2.88Å; L902-L905 PolarHBondContact O-N 2.97Å; L902-G906 PolarHBondContact O-N 2.87Å; L902-F907 HydrophobicContact CB-CB 4.17Å; L902-F907 HydrophobicContact CB-CD2 4.26Å; L902-F907 HydrophobicContact CD2-CD2 3.85Å; L902-F907 HydrophobicContact CD2-CE2 4.2Å; L902-F907 HydrophobicContact CD2-CG 4.43Å; L902-F907 WeakPolarHBondContact O-CB 3.42Å; L902-F907 WeakPolarHBondContact O-CD2 3.26Å; L902-F907 PolarHBondContact O-N 3.41Å; L902-F907 VanDerWaalsContact O-N 3.14Å; L902-V909 HydrophobicContact CB-CG1 3.63Å; L902-V909 HydrophobicContact CD1-CG1 4.26Å; L902-V909 HydrophobicContact CD1-CG2 4.44Å; L902-F914 HydrophobicContact CD1-CZ 4.47Å; L902-L927 HydrophobicContact CD1-CD1 3.56Å; L902-L927 HydrophobicContact CD1-CD2 4.14Å; L902-L927 HydrophobicContact CD2-CD1 4.17Å
903R81.5Confident73.4Confident62 Ų6228.9 Ų28.923%0.23415%0.149CC..Hα-helixtrans-59.4-40.1175.5-73.2169.9-175.4170.7-6.4112.5D404 T899 E900 L905 G906 F907 V909D404-R903 IonicContact OD1-NH1 3.85Å; D404-R903 PolarHBondContact OD1-NH1 3.14Å; D404-R903 IonicContact OD2-CZ 3.14Å; D404-R903 VanDerWaalsContact OD2-CZ 3.25Å; D404-R903 IonicContact OD2-NH1 3.82Å; D404-R903 PolarHBondContact OD2-NH1 2.91Å; D404-R903 IonicContact OD2-NH2 3.49Å; D404-R903 PolarHBondContact OD2-NH2 2.76Å; T899-R903 VanDerWaalsContact O-CG 3.31Å; T899-R903 WeakPolarHBondContact O-CG 3.36Å; T899-R903 PolarHBondContact O-N 3.33Å; E900-R903 WeakPolarHBondContact O-CB 3.43Å; E900-R903 PolarHBondContact O-N 3.1Å; E900-R903 VanDerWaalsContact O-N 3.17Å; E900-R903 IonicContact OE2-NH1 2.8Å; R903-L905 PolarHBondContact O-N 2.8Å; R903-G906 PolarHBondContact O-N 3.26Å; R903-F907 WeakPolarHBondContact CA-O 3.49Å; R903-V909 HydrophobicContact CG-CG1 3.81Å; R903-V909 PolarHBondContact NE-O 2.9Å; R903-V909 PolarHBondContact NH2-O 3.09Å
904Q75.4Confident74Confident99 Ų9928.5 Ų28.546%0.46315%0.146SC..Hα-helixtrans-62.2-28176-66.9-166.4-47.100113.4L436 E900 Q901 L902 G906L436-Q904 PolarHBondContact O-NE2 3.18Å; E900-Q904 WeakPolarHBondContact O-CG 3.42Å; E900-Q904 PolarHBondContact O-N 3.21Å; Q901-Q904 PolarHBondContact O-N 3.01Å; L902-Q904 VanDerWaalsContact C-N 3.3Å; L902-Q904 PolarHBondContact O-N 2.88Å; Q904-G906 VanDerWaalsContact C-N 3.26Å
905L75.7Confident73.9Confident48 Ų4831.3 Ų31.325%0.25117%0.165SC..THydrogen-bonded Turntrans-84.51.2175.4-61.2179.7000113.3R856 V860 Q901 L902 R903 F907R856-L905 HydrophobicContact CG-CD1 4.19Å; V860-L905 HydrophobicContact CG2-CD1 3.35Å; Q901-L905 WeakPolarHBondContact O-CG 3.15Å; Q901-L905 PolarHBondContact O-N 3.33Å; L902-L905 PolarHBondContact O-N 2.97Å; R903-L905 PolarHBondContact O-N 2.8Å; L905-F907 HydrophobicContact CB-CD2 3.93Å; L905-F907 HydrophobicContact CB-CE2 3.97Å
906G73.9Confident73.6Confident13 Ų1337.9 Ų37.913%0.13419%0.193CC..THydrogen-bonded Turntrans96.93.417700000115L902 R903 Q904 S932L902-G906 PolarHBondContact O-N 2.87Å; R903-G906 PolarHBondContact O-N 3.26Å; Q904-G906 VanDerWaalsContact C-N 3.26Å; G906-S932 PolarHBondContact O-N 3.15Å; G906-S932 PolarHBondContact O-OG 2.92Å
907F80Confident73.9Confident5 Ų539.6 Ų39.62%0.02220%0.203CC..BIsolated β-bridgetrans-76.3124.9176.2-64.4-80.7000110.9G853 A857 L902 R903 L905 V909 L927 E931G853-F907 WeakPolarHBondContact O-CZ 3.22Å; A857-F907 HydrophobicContact CB-CE1 4.34Å; A857-F907 HydrophobicContact CB-CE2 4.23Å; A857-F907 HydrophobicContact CB-CZ 3.98Å; L902-F907 HydrophobicContact CB-CB 4.17Å; L902-F907 HydrophobicContact CB-CD2 4.26Å; L902-F907 HydrophobicContact CD2-CD2 3.85Å; L902-F907 HydrophobicContact CD2-CE2 4.2Å; L902-F907 HydrophobicContact CD2-CG 4.43Å; L902-F907 WeakPolarHBondContact O-CB 3.42Å; L902-F907 WeakPolarHBondContact O-CD2 3.26Å; L902-F907 PolarHBondContact O-N 3.41Å; L902-F907 VanDerWaalsContact O-N 3.14Å; R903-F907 WeakPolarHBondContact CA-O 3.49Å; L905-F907 HydrophobicContact CB-CD2 3.93Å; L905-F907 HydrophobicContact CB-CE2 3.97Å; F907-V909 VanDerWaalsContact C-N 3.33Å; F907-V909 PolarHBondContact O-N 2.92Å; F907-L927 HydrophobicContact CB-CD2 4.4Å; F907-L927 HydrophobicContact CD1-CB 4.25Å; F907-E931 HydrophobicContact CD1-CB 4.47Å; F907-E931 HydrophobicContact CD1-CG 4.41Å; F907-E931 HydrophobicContact CE1-CB 4.44Å; F907-E931 HydrophobicContact CE1-CG 4.2Å
908N76.6Confident74.1Confident125 Ų12538.8 Ų38.867%0.66820%0.201SC*.  trans-78.682.9170.3-178.116.5000110.3T930N908-T930 HydrophobicContact CB-CG2 4.4Å; N908-T930 WeakPolarHBondContact CB-O 3.5Å; N908-T930 PolarHBondContact N-O 3.45Å; N908-T930 WeakPolarHBondContact O-CB 3.3Å; N908-T930 VanDerWaalsContact O-CG2 3.23Å; N908-T930 WeakPolarHBondContact O-CG2 3.32Å; N908-T930 PolarHBondContact O-OG1 3.25Å
909V79.1Confident74.3Confident3 Ų342.9 Ų42.92%0.01822%0.219CC..  trans-113141.3-179.460.90000112.1T899 L902 R903 F907 V913 F914 L927T899-V909 HydrophobicContact CG2-CG1 3.82Å; T899-V909 HydrophobicContact CG2-CG2 4.26Å; T899-V909 VanDerWaalsContact O-CG1 3.29Å; T899-V909 WeakPolarHBondContact O-CG1 3.47Å; L902-V909 HydrophobicContact CB-CG1 3.63Å; L902-V909 HydrophobicContact CD1-CG1 4.26Å; L902-V909 HydrophobicContact CD1-CG2 4.44Å; R903-V909 HydrophobicContact CG-CG1 3.81Å; R903-V909 PolarHBondContact NE-O 2.9Å; R903-V909 PolarHBondContact NH2-O 3.09Å; F907-V909 VanDerWaalsContact C-N 3.33Å; F907-V909 PolarHBondContact O-N 2.92Å; V909-V913 HydrophobicContact CG2-CB 4.41Å; V909-V913 HydrophobicContact CG2-CG2 4.17Å; V909-F914 HydrophobicContact CG2-CE2 4.49Å; V909-L927 HydrophobicContact CB-CD2 3.48Å; V909-L927 VanDerWaalsContact CB-CD2 3.48Å; V909-L927 HydrophobicContact CG1-CD2 4.38Å; V909-L927 HydrophobicContact CG2-CD2 3.53Å
910N72.9Confident74.4Confident47 Ų4742.9 Ų42.925%0.25122%0.219SC..  trans-115.2151.6169.7-170.8-5.8000109.5D912 V913N910-D912 PolarHBondContact ND2-OD2 3.08Å; N910-D912 PolarHBondContact O-N 3.27Å; N910-V913 WeakPolarHBondContact O-CB 3.41Å; N910-V913 WeakPolarHBondContact O-CG2 3.41Å; N910-V913 PolarHBondContact O-N 3.4Å
911L67.3Low74.8Confident14 Ų1443.1 Ų43.17%0.07322%0.222CC..THydrogen-bonded Turntrans-48.9-29171.3-97144.7000113.7D404 V896 T899 V913 F914 T915D404-L911 HydrophobicContact CB-CD1 4.09Å; V896-L911 HydrophobicContact CB-CD1 4.48Å; V896-L911 HydrophobicContact CB-CD2 4.12Å; V896-L911 HydrophobicContact CG1-CD1 4.39Å; V896-L911 HydrophobicContact CG2-CD1 3.87Å; V896-L911 HydrophobicContact CG2-CD2 3.26Å; V896-L911 HydrophobicContact CG2-CG 4.07Å; T899-L911 HydrophobicContact CG2-CG 4.48Å; L911-V913 PolarHBondContact O-N 3.16Å; L911-V913 VanDerWaalsContact O-N 3.16Å; L911-F914 PolarHBondContact O-N 3.06Å; L911-T915 PolarHBondContact O-N 3.02Å
912D66Low75.2Confident49 Ų4943.1 Ų43.126%0.26223%0.227SC..Hα-helixtrans-55.7-30.6177.1-72.2-16.9000113.5K400 N910 F914 T915 K916K400-D912 WeakPolarHBondContact CE-OD1 3.49Å; K400-D912 IonicContact NZ-OD1 3.58Å; K400-D912 PolarHBondContact NZ-OD1 2.89Å; N910-D912 PolarHBondContact ND2-OD2 3.08Å; N910-D912 PolarHBondContact O-N 3.27Å; D912-F914 VanDerWaalsContact C-N 3.33Å; D912-F914 PolarHBondContact O-N 3.05Å; D912-T915 VanDerWaalsContact CA-OG1 3.31Å; D912-T915 WeakPolarHBondContact CA-OG1 3.4Å; D912-T915 PolarHBondContact O-N 3.28Å; D912-T915 PolarHBondContact O-OG1 3.41Å; D912-K916 WeakPolarHBondContact O-CG 3.4Å; D912-K916 PolarHBondContact O-N 2.78Å; D912-K916 VanDerWaalsContact O-N 3.07Å
913V74.5Confident75.2Confident28 Ų2843.1 Ų43.117%0.1723%0.227CC..Hα-helixtrans-56.4-48179169.50000111.1V909 N910 L911 T915 K916 T917 I923 S926V909-V913 HydrophobicContact CG2-CB 4.41Å; V909-V913 HydrophobicContact CG2-CG2 4.17Å; N910-V913 WeakPolarHBondContact O-CB 3.41Å; N910-V913 WeakPolarHBondContact O-CG2 3.41Å; N910-V913 PolarHBondContact O-N 3.4Å; L911-V913 PolarHBondContact O-N 3.16Å; L911-V913 VanDerWaalsContact O-N 3.16Å; V913-T915 VanDerWaalsContact C-N 3.35Å; V913-K916 PolarHBondContact O-N 2.91Å; V913-T917 PolarHBondContact O-N 3.19Å; V913-I923 HydrophobicContact CG1-CB 4.41Å; V913-I923 HydrophobicContact CG1-CG1 4.36Å; V913-I923 HydrophobicContact CG1-CG2 4.08Å; V913-S926 WeakPolarHBondContact CG1-OG 3.48Å
914F70.2Confident75.5Confident1 Ų140.2 Ų40.20%0.00422%0.216CC..Hα-helixtrans-73.5-29.2-179-64.7-91.6000112.2L861 F885 Y886 T895 T898 T899 L902 V909 L911 D912 K916 I923L861-F914 HydrophobicContact CD2-CE1 3.9Å; L861-F914 HydrophobicContact CD2-CZ 4.19Å; F885-F914 HydrophobicContact CD1-CD1 4.21Å; F885-F914 HydrophobicContact CD2-CE1 4.13Å; F885-F914 HydrophobicContact CE1-CD1 4.36Å; F885-F914 HydrophobicContact CE2-CE1 4.11Å; F885-F914 HydrophobicContact CG-CD1 4.31Å; F885-F914 HydrophobicContact CG-CE1 4.35Å; F885-F914 HydrophobicContact CZ-CE1 4.32Å; Y886-F914 PolarHBondContact OH-O 2.62Å; T895-F914 HydrophobicContact CG2-CB 3.42Å; T895-F914 VanDerWaalsContact CG2-CB 3.42Å; T895-F914 HydrophobicContact CG2-CD1 3.64Å; T895-F914 HydrophobicContact CG2-CD2 4.46Å; T895-F914 HydrophobicContact CG2-CG 3.6Å; T898-F914 HydrophobicContact CG2-CE1 4.19Å; T898-F914 HydrophobicContact CG2-CZ 3.59Å; T899-F914 WeakPolarHBondContact OG1-CE2 3.09Å; L902-F914 HydrophobicContact CD1-CZ 4.47Å; V909-F914 HydrophobicContact CG2-CE2 4.49Å; L911-F914 PolarHBondContact O-N 3.06Å; D912-F914 VanDerWaalsContact C-N 3.33Å; D912-F914 PolarHBondContact O-N 3.05Å; F914-K916 VanDerWaalsContact C-N 3.27Å; F914-K916 PolarHBondContact O-N 2.89Å; F914-I923 HydrophobicContact CD1-CD1 3.71Å; F914-I923 HydrophobicContact CD1-CG1 4.37Å; F914-I923 HydrophobicContact CE1-CD1 3.83Å; F914-I923 HydrophobicContact CE1-CG1 4.46Å; F914-I923 HydrophobicContact CE1-CG2 3.92Å; F914-I923 HydrophobicContact CZ-CG2 3.96Å
915T60.8Low75.9Confident80 Ų8036.6 Ų36.649%0.49120%0.201SC..Hα-helixtrans-71.8-22.4175.362.60000113.4L911 D912 V913L911-T915 PolarHBondContact O-N 3.02Å; D912-T915 VanDerWaalsContact CA-OG1 3.31Å; D912-T915 WeakPolarHBondContact CA-OG1 3.4Å; D912-T915 PolarHBondContact O-N 3.28Å; D912-T915 PolarHBondContact O-OG1 3.41Å; V913-T915 VanDerWaalsContact C-N 3.35Å
916K65.3Low76.2Confident143 Ų14335.8 Ų35.862%0.62220%0.2SC*.Hα-helixtrans-83.4-32.6178.3-73.9178.9-179.9-169.90112.6D912 V913 F914D912-K916 WeakPolarHBondContact O-CG 3.4Å; D912-K916 PolarHBondContact O-N 2.78Å; D912-K916 VanDerWaalsContact O-N 3.07Å; V913-K916 PolarHBondContact O-N 2.91Å; F914-K916 VanDerWaalsContact C-N 3.27Å; F914-K916 PolarHBondContact O-N 2.89Å
917T71.1Confident76.3Confident38 Ų3835.3 Ų35.323%0.23319%0.194CC..  trans-158.4137.8-177.3179.50000111.1V913 K919 I923V913-T917 PolarHBondContact O-N 3.19Å; T917-K919 PolarHBondContact OG1-N 3Å; T917-K919 VanDerWaalsContact OG1-N 3.14Å; T917-I923 HydrophobicContact CG2-CG1 4.2Å
918G69.1Low75.7Confident8 Ų838.2 Ų38.28%0.08221%0.208CC..  trans-88.4-17.5168.100000113.1D884 F885 I920 I923D884-G918 CarbonylContact C-O 3.48Å; D884-G918 WeakPolarHBondContact CA-O 3.35Å; D884-G918 WeakPolarHBondContact OD2-CA 3.43Å; F885-G918 VanDerWaalsContact CB-O 3.29Å; F885-G918 WeakPolarHBondContact CB-O 3.45Å; F885-G918 PolarHBondContact N-O 2.88Å; G918-I920 PolarHBondContact O-N 2.93Å; G918-I923 WeakPolarHBondContact O-CD1 3.34Å
919K81.8Confident74.7Confident87 Ų8736.2 Ų36.238%0.37820%0.197SC..BIsolated β-bridgetrans-60.8121.1-177.9-72.8-82.8177.4175.10110.5D882 E883 D884 T917 G921 S922 I923D882-K919 WeakPolarHBondContact O-CD 3.34Å; D882-K919 PolarHBondContact O-NZ 2.92Å; E883-K919 WeakPolarHBondContact O-CA 3.44Å; D884-K919 PolarHBondContact OD2-N 3.03Å; T917-K919 PolarHBondContact OG1-N 3Å; T917-K919 VanDerWaalsContact OG1-N 3.14Å; K919-G921 PolarHBondContact O-N 3.27Å; K919-S922 PolarHBondContact O-N 3.35Å; K919-S922 VanDerWaalsContact O-N 3.08Å; K919-I923 WeakPolarHBondContact O-CG1 3.32Å; K919-I923 PolarHBondContact O-N 2.82Å
920I83Confident73.6Confident0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-56-42-178.2-65.7-72.1000110.4L861 L865 P879 K880 E883 F885 L888 G918 S922 I923 L924L861-I920 HydrophobicContact CD1-CD1 4.08Å; L861-I920 HydrophobicContact CD1-CG2 4.18Å; L861-I920 HydrophobicContact CD2-CD1 4.44Å; L865-I920 HydrophobicContact CD1-CD1 4.25Å; P879-I920 HydrophobicContact CB-CD1 4.07Å; P879-I920 HydrophobicContact CB-CG1 4.03Å; P879-I920 HydrophobicContact CB-CG2 4.17Å; P879-I920 HydrophobicContact CG-CG2 4.49Å; K880-I920 WeakPolarHBondContact O-CB 3.37Å; E883-I920 WeakPolarHBondContact O-CG1 3.38Å; E883-I920 PolarHBondContact O-N 2.74Å; F885-I920 HydrophobicContact CB-CD1 3.96Å; F885-I920 HydrophobicContact CD2-CD1 4.19Å; L888-I920 HydrophobicContact CD1-CD1 4.43Å; L888-I920 HydrophobicContact CD1-CG1 4.22Å; G918-I920 PolarHBondContact O-N 2.93Å; I920-S922 PolarHBondContact O-N 3.19Å; I920-I923 PolarHBondContact O-N 3.3Å; I920-L924 HydrophobicContact CG2-CD1 3.72Å; I920-L924 HydrophobicContact CG2-CG 4.25Å; I920-L924 WeakPolarHBondContact O-CB 3.24Å; I920-L924 WeakPolarHBondContact O-CG 3.48Å; I920-L924 PolarHBondContact O-N 3.28Å
921G84.8Confident72.5Confident8 Ų839.9 Ų39.98%0.08221%0.214CC..Hα-helixtrans-59.7-43178.800000113R854 D881 K919 T925R854-G921 PolarHBondContact NH2-O 3.36Å; R854-G921 VanDerWaalsContact NH2-O 3.13Å; D881-G921 WeakPolarHBondContact O-CA 3.16Å; D881-G921 PolarHBondContact O-N 3.36Å; K919-G921 PolarHBondContact O-N 3.27Å; G921-T925 WeakPolarHBondContact O-CB 3.38Å; G921-T925 PolarHBondContact O-N 3.38Å; G921-T925 PolarHBondContact O-OG1 3.25Å
922S85.2Confident71.5Confident48 Ų4842.3 Ų42.334%0.33623%0.232SC..Hα-helixtrans-72-42.2178.7-55.70000111.8K919 I920 L924 T925 S926K919-S922 PolarHBondContact O-N 3.35Å; K919-S922 VanDerWaalsContact O-N 3.08Å; I920-S922 PolarHBondContact O-N 3.19Å; S922-L924 VanDerWaalsContact C-N 3.33Å; S922-L924 PolarHBondContact O-N 3.25Å; S922-T925 PolarHBondContact O-N 3.48Å; S922-S926 PolarHBondContact O-N 2.76Å
923I84.8Confident70.3Confident0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-55.8-51.1173.8-66.4164.9000109.6L861 F885 V913 F914 T917 G918 K919 I920 T925 S926 L927L861-I923 HydrophobicContact CD1-CG2 4.32Å; L861-I923 HydrophobicContact CD2-CG2 4.46Å; F885-I923 HydrophobicContact CB-CD1 3.92Å; F885-I923 HydrophobicContact CG-CD1 4.46Å; V913-I923 HydrophobicContact CG1-CB 4.41Å; V913-I923 HydrophobicContact CG1-CG1 4.36Å; V913-I923 HydrophobicContact CG1-CG2 4.08Å; F914-I923 HydrophobicContact CD1-CD1 3.71Å; F914-I923 HydrophobicContact CD1-CG1 4.37Å; F914-I923 HydrophobicContact CE1-CD1 3.83Å; F914-I923 HydrophobicContact CE1-CG1 4.46Å; F914-I923 HydrophobicContact CE1-CG2 3.92Å; F914-I923 HydrophobicContact CZ-CG2 3.96Å; T917-I923 HydrophobicContact CG2-CG1 4.2Å; G918-I923 WeakPolarHBondContact O-CD1 3.34Å; K919-I923 WeakPolarHBondContact O-CG1 3.32Å; K919-I923 PolarHBondContact O-N 2.82Å; I920-I923 PolarHBondContact O-N 3.3Å; I923-T925 VanDerWaalsContact C-N 3.29Å; I923-T925 PolarHBondContact O-N 3.21Å; I923-S926 PolarHBondContact O-N 2.96Å; I923-S926 PolarHBondContact O-OG 3.49Å; I923-L927 HydrophobicContact CG2-CD1 4.16Å; I923-L927 WeakPolarHBondContact O-CG 3.33Å; I923-L927 PolarHBondContact O-N 3.44Å
924L87.1Confident68.6Low0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-62.2-35.7180-72.4176000113.1R854 A857 R858 L861 I920 S922 L927 Q928R854-L924 HydrophobicContact CG-CB 3.98Å; R854-L924 HydrophobicContact CG-CD1 4.27Å; R854-L924 HydrophobicContact CG-CG 4.5Å; A857-L924 HydrophobicContact CB-CD2 3.63Å; R858-L924 HydrophobicContact CB-CD1 3.85Å; R858-L924 HydrophobicContact CB-CD2 4Å; R858-L924 HydrophobicContact CG-CD1 3.99Å; R858-L924 VanDerWaalsContact NE-CD1 3.34Å; L861-L924 HydrophobicContact CD1-CD1 4.48Å; L861-L924 HydrophobicContact CD1-CD2 3.62Å; L861-L924 HydrophobicContact CD1-CG 3.87Å; I920-L924 HydrophobicContact CG2-CD1 3.72Å; I920-L924 HydrophobicContact CG2-CG 4.25Å; I920-L924 WeakPolarHBondContact O-CB 3.24Å; I920-L924 WeakPolarHBondContact O-CG 3.48Å; I920-L924 PolarHBondContact O-N 3.28Å; S922-L924 VanDerWaalsContact C-N 3.33Å; S922-L924 PolarHBondContact O-N 3.25Å; L924-L927 PolarHBondContact O-N 3.44Å; L924-Q928 PolarHBondContact O-N 3.35Å
925T85.2Confident66.9Low23 Ų2358.9 Ų58.914%0.14131%0.312CS..Hα-helixtrans-70.9-39.3179.9-49.50000111.1R854 G921 S922 I923 L927 Q928 E975R854-T925 PolarHBondContact NH1-OG1 3.16Å; G921-T925 WeakPolarHBondContact O-CB 3.38Å; G921-T925 PolarHBondContact O-N 3.38Å; G921-T925 PolarHBondContact O-OG1 3.25Å; S922-T925 PolarHBondContact O-N 3.48Å; I923-T925 VanDerWaalsContact C-N 3.29Å; I923-T925 PolarHBondContact O-N 3.21Å; T925-L927 PolarHBondContact O-N 3.16Å; T925-L927 VanDerWaalsContact O-N 3.15Å; T925-Q928 PolarHBondContact O-N 3.21Å; T925-Q928 VanDerWaalsContact O-N 3.13Å; T925-E975 VanDerWaalsContact CB-OE1 3.24Å; T925-E975 WeakPolarHBondContact CB-OE1 3.44Å; T925-E975 HydrophobicContact CG2-CG 3.37Å; T925-E975 WeakPolarHBondContact CG2-OE1 3.28Å
926S81Confident65.8Low32 Ų3262.4 Ų62.422%0.22432%0.32CS..Hα-helixtrans-60.4-25.9172.781.60000113.7V913 S922 I923 E975V913-S926 WeakPolarHBondContact CG1-OG 3.48Å; S922-S926 PolarHBondContact O-N 2.76Å; I923-S926 PolarHBondContact O-N 2.96Å; I923-S926 PolarHBondContact O-OG 3.49Å; S926-E975 PolarHBondContact N-OE1 3.34Å
927L77.1Confident64Low3 Ų361.9 Ų61.92%0.01633%0.329CS..Hα-helixtrans-86.4-19.1179.6-65.1170.6000113.7A857 L902 F907 V909 I923 L924 T925 N929 T930A857-L927 HydrophobicContact CB-CD1 3.9Å; L902-L927 HydrophobicContact CD1-CD1 3.56Å; L902-L927 HydrophobicContact CD1-CD2 4.14Å; L902-L927 HydrophobicContact CD2-CD1 4.17Å; F907-L927 HydrophobicContact CB-CD2 4.4Å; F907-L927 HydrophobicContact CD1-CB 4.25Å; V909-L927 HydrophobicContact CB-CD2 3.48Å; V909-L927 VanDerWaalsContact CB-CD2 3.48Å; V909-L927 HydrophobicContact CG1-CD2 4.38Å; V909-L927 HydrophobicContact CG2-CD2 3.53Å; I923-L927 HydrophobicContact CG2-CD1 4.16Å; I923-L927 WeakPolarHBondContact O-CG 3.33Å; I923-L927 PolarHBondContact O-N 3.44Å; L924-L927 PolarHBondContact O-N 3.44Å; T925-L927 PolarHBondContact O-N 3.16Å; T925-L927 VanDerWaalsContact O-N 3.15Å; L927-N929 PolarHBondContact O-N 2.92Å; L927-T930 PolarHBondContact O-N 3.01Å; L927-T930 PolarHBondContact O-OG1 3.25Å
928Q67.2Low61.8Low66 Ų6668.9 Ų68.931%0.30836%0.359SS..THydrogen-bonded Turntrans-66.4-18.9-177.8-80.1175.8-61.200113.1R854 L924 T925R854-Q928 HydrophobicContact CB-CG 4.11Å; R854-Q928 HydrophobicContact CG-CG 4.35Å; L924-Q928 PolarHBondContact O-N 3.35Å; T925-Q928 PolarHBondContact O-N 3.21Å; T925-Q928 VanDerWaalsContact O-N 3.13Å
929N55.6Low59.8Low83 Ų8377.3 Ų77.344%0.44440%0.396SS..THydrogen-bonded Turntrans-99.16-177.7-67.6-38.1000114.6L927 E973L927-N929 PolarHBondContact O-N 2.92Å; N929-E973 WeakPolarHBondContact ND2-CG 3.35Å
930T55.7Low57Low30 Ų3079.1 Ų79.118%0.18442%0.417CS..  trans-125.43.9-164.556.90000115.3N908 L927 S932N908-T930 HydrophobicContact CB-CG2 4.4Å; N908-T930 WeakPolarHBondContact CB-O 3.5Å; N908-T930 PolarHBondContact N-O 3.45Å; N908-T930 WeakPolarHBondContact O-CB 3.3Å; N908-T930 VanDerWaalsContact O-CG2 3.23Å; N908-T930 WeakPolarHBondContact O-CG2 3.32Å; N908-T930 PolarHBondContact O-OG1 3.25Å; L927-T930 PolarHBondContact O-N 3.01Å; L927-T930 PolarHBondContact O-OG1 3.25Å; T930-S932 PolarHBondContact O-N 3.41Å; T930-S932 VanDerWaalsContact O-N 3.1Å
931E50.4Low54.2Low97 Ų9789.1 Ų89.145%0.45346%0.46SS..BIsolated β-bridgetrans-69108.1177-146.7174.5-160.900109.8R856 F907R856-E931 IonicContact NH1-OE1 3.21Å; F907-E931 HydrophobicContact CD1-CB 4.47Å; F907-E931 HydrophobicContact CD1-CG 4.41Å; F907-E931 HydrophobicContact CE1-CB 4.44Å; F907-E931 HydrophobicContact CE1-CG 4.2Å
932S45.7Very low51.4Low64 Ų6495.6 Ų95.645%0.44850%0.499SS..  trans-77.2145.2177.359.90000110.8G906 T930 F934G906-S932 PolarHBondContact O-N 3.15Å; G906-S932 PolarHBondContact O-OG 2.92Å; T930-S932 PolarHBondContact O-N 3.41Å; T930-S932 VanDerWaalsContact O-N 3.1Å; S932-F934 PolarHBondContact O-N 3.39Å
933D41.6Very low48.4Very low121 Ų12197.7 Ų97.765%0.64751%0.514SS*.SBendtrans-65.426.4-177.1-107.5-18.2000114.5L935 K936D933-L935 PolarHBondContact O-N 3.5Å; D933-L935 VanDerWaalsContact O-N 3.16Å; D933-K936 WeakPolarHBondContact OD1-CE 3.45Å; D933-K936 IonicContact OD1-NZ 2.84Å; D933-K936 PolarHBondContact OD1-NZ 2.96Å; D933-K936 IonicContact OD2-NZ 3.39Å; D933-K936 PolarHBondContact OD2-NZ 3.11Å
934F37.3Very low45.5Very low176 Ų176104.5 Ų104.577%0.77255%0.55SS*.THydrogen-bonded Turntrans-74.1-3.6-169.4-148.1-95.3000114.6S932S932-F934 PolarHBondContact O-N 3.39Å
935L35.5Very low42.4Very low130 Ų130109.7 Ų109.768%0.68159%0.586SS**THydrogen-bonded Turntrans-104.310.8179.2-87161000114.7D933 T937D933-L935 PolarHBondContact O-N 3.5Å; D933-L935 VanDerWaalsContact O-N 3.16Å; L935-T937 VanDerWaalsContact C-N 3.33Å; L935-T937 PolarHBondContact O-N 2.94Å
936K36.9Very low39.4Very low154 Ų154120.5 Ų120.567%0.6762%0.624SS**THydrogen-bonded Turntrans-81.24.4-179.8-82.6178.8178.8160.40116.1D933D933-K936 WeakPolarHBondContact OD1-CE 3.45Å; D933-K936 IonicContact OD1-NZ 2.84Å; D933-K936 PolarHBondContact OD1-NZ 2.96Å; D933-K936 IonicContact OD2-NZ 3.39Å; D933-K936 PolarHBondContact OD2-NZ 3.11Å
937T27.8Very low36.7Very low132 Ų132125.4 Ų125.481%0.8165%0.653SS**THydrogen-bonded Turntrans-109.717.6-173.532.60000116.2L935L935-T937 VanDerWaalsContact C-N 3.33Å; L935-T937 PolarHBondContact O-N 2.94Å
938Q25.8Very low34.2Very low184 Ų184131.3 Ų131.386%0.8669%0.689SS**  trans-137.988.5166.9-71.7-169.9-9.500111.7
939E25.5Very low32.2Very low186 Ų186138 Ų13887%0.86972%0.717SS**  trans-133133.7153.2-82.1-168.1169.600109.3
940P24.9Very low30.7Very low124 Ų124142.5 Ų142.581%0.80574%0.735SS**  trans-77.7137.3171.932-29.1000110T942P940-T942 PolarHBondContact O-N 3.11Å
941F23.4Very low29.3Very low210 Ų210149.5 Ų149.592%0.92177%0.77SS**  trans-49.9124.2172.3-88.8-102.1000112.7
942T25.7Very low28Very low145 Ų145149 Ų14989%0.8978%0.777SS**  trans-151149.6135.146.70000111.4P940P940-T942 PolarHBondContact O-N 3.11Å
943S22.8Very low27Very low92 Ų92153.5 Ų153.564%0.64379%0.793SS**  trans-84.7159.6-163.858.20000114.6
944D22.7Very low26.2Very low143 Ų143153.9 Ų153.977%0.76580%0.795SS**  trans111.5126.1140.6-61.1-41.1000120.9
945S23.8Very low25.7Very low108 Ų108155.5 Ų155.576%0.75580%0.802SS**  trans87.389.5155.778.20000118.8
946W21.8Very low25.3Very low251 Ų251154 Ų15495%0.95180%0.798SS**  trans-88.1114153.3-71.681000109.1
947T23.4Very low24.8Very low135 Ų135154 Ų15483%0.82880%0.804SS**  trans-121115.4157.231.10000109.5
948V24Very low24.7Very low126 Ų126157.7 Ų157.776%0.76481%0.809SS**  trans-76.8127173.51750000108.2
949K26.2Very low24.7Very low207 Ų207158.5 Ų158.590%0.981%0.81SS**  trans-121.5116.2159.5-92.6-173.8175.9178.90110.1
950E23.1Very low24.9Very low177 Ų177155.4 Ų155.483%0.82781%0.808SS**  trans-55.6140.4168.4-64.2169.7122.100112
951I26.3Very low25Very low178 Ų178158.2 Ų158.291%0.91381%0.811SS**  trans-133.8129.8133.8-62.4-175.3000108.5
952S24Very low25.3Very low86 Ų86153.9 Ų153.960%0.60180%0.801SS**  trans-93.9170.8-1711760000112.7
953M24.9Very low25.6Very low159 Ų159150 Ų15078%0.78378%0.78SS**  trans109.9100.2149.6-65.8-135.2-157.200116.8
954N25.1Very low26.2Very low129 Ų129153.3 Ų153.369%0.6979%0.79SS**  8696.475.3-74.3-27.5000110.7
955K26.8Very low26.8Very low210 Ų210152.4 Ų152.491%0.91379%0.785SS**SBendtrans-157.50.1143-114.7173.7-173.4-175.80116.8
956V27.1Very low27.7Very low98 Ų98153.9 Ų153.959%0.59478%0.782SS**SBendtrans-140.4135.7174.1-167.50000108.5
957L26.9Very low29Very low155 Ų155143.5 Ų143.581%0.81275%0.746SS**  trans93.565.4-179.9-53.3164.2000117.1
958K25.6Very low30.4Very low208 Ų208144 Ų14490%0.90473%0.732SS**  trans-98.193.8144.7-87.4-176.6174.7179.40108.4
959K26Very low31.7Very low202 Ų202139.2 Ų139.288%0.87870%0.702SS**SBendtrans157.979150.4-90.2177.7179.4-176.30111.4
960S28.4Very low32.9Very low120 Ų120133.8 Ų133.884%0.83969%0.688SS**  trans178.9128.1131.261.30000108
961H27.3Very low34Very low184 Ų184126 Ų12685%0.85265%0.652SS**  trans-83.9148.1176.7-74.6-53.4000109.5
962T29Very low34.9Very low118 Ų118120.4 Ų120.472%0.72462%0.623SS**  trans67.276.7167.863.20000118.4N996T962-N996 PolarHBondContact O-ND2 3.23Å
963C32.4Very low35.7Very low65 Ų65119 Ų11944%0.43961%0.607SS.*  trans-155.6129.7141.4-141.70000110.6L965C963-L965 PolarHBondContact O-N 3.33Å
964N35.9Very low36.3Very low160 Ų160118 Ų11886%0.85661%0.605SS**  trans-68.891.5176.5-82.4-34.5000110.2I966N964-I966 PolarHBondContact O-N 2.86Å
965L35.6Very low36.8Very low125 Ų125116.7 Ų116.765%0.65459%0.594SS**  trans-66.892.9175.3-86.9121.4000111.5C963 F991C963-L965 PolarHBondContact O-N 3.33Å; L965-F991 HydrophobicContact CD2-CD1 3.98Å; L965-F991 HydrophobicContact CD2-CE1 3.73Å
966I41.3Very low37Very low138 Ų138110.8 Ų110.871%0.70858%0.579SS**  trans-122.4-9.8171.3-63.3-178.6000113.5N964N964-I966 PolarHBondContact O-N 2.86Å
967N49.9Very low37.3Very low33 Ų33116.6 Ų116.618%0.17659%0.591CS.*  trans-121.585.3-166.4-64-20.9000113.7R1153 D1157N967-R1153 PolarHBondContact OD1-NH2 3.27Å; N967-D1157 VanDerWaalsContact ND2-CG 3.27Å; N967-D1157 PolarHBondContact ND2-OD1 2.82Å; N967-D1157 PolarHBondContact ND2-OD2 2.85Å
968R51.8Low37.4Very low145 Ų145117.5 Ų117.555%0.54760%0.596SS.*EExtended strand (participates in β ladder)trans-95.2141.2171.4-64.3-173.8-176.9-161.82.1111.9E989 F991R968-E989 IonicContact CZ-OE2 2.59Å; R968-E989 IonicContact NE-OE2 3.44Å; R968-E989 IonicContact NH1-OE1 3.84Å; R968-E989 PolarHBondContact NH1-OE1 2.78Å; R968-E989 IonicContact NH1-OE2 2.76Å; R968-E989 PolarHBondContact NH1-OE2 3.29Å; R968-F991 HydrophobicContact CG-CD1 4.1Å; R968-F991 HydrophobicContact CG-CE1 3.55Å; R968-F991 HydrophobicContact CG-CZ 4.1Å
969I52.4Low37.7Very low27 Ų27112.2 Ų112.214%0.13859%0.585CS.*EExtended strand (participates in β ladder)trans-120.3107.8165.5-55.1174.6000108I990 I992 L1150 R1153I969-I990 HydrophobicContact CB-CB 4.43Å; I969-I990 PolarHBondContact N-O 2.87Å; I969-I990 PolarHBondContact O-N 3.31Å; I969-I992 HydrophobicContact CD1-CD1 4.44Å; I969-L1150 HydrophobicContact CD1-CD2 3.64Å; I969-L1150 HydrophobicContact CD1-CG 4.22Å; I969-R1153 HydrophobicContact CD1-CB 4.14Å; I969-R1153 HydrophobicContact CD1-CG 4.12Å
970P52Low37.9Very low93 Ų93109.1 Ų109.160%0.60459%0.586SS**EExtended strand (participates in β ladder)trans-70.6136.2175.926.8-30.7000110.7
971L46Very low38.1Very low14 Ų14108.6 Ų108.67%0.07358%0.578CS.*SBendtrans-91.4-13.9-179.1-74.4162.8000114.3Y988 I990 Y1056 M1139 I1146L971-Y988 WeakPolarHBondContact CB-O 3.47Å; L971-Y988 PolarHBondContact N-O 3.4Å; L971-I990 HydrophobicContact CD1-CD1 4.19Å; L971-I990 HydrophobicContact CD1-CG1 3.85Å; L971-I990 HydrophobicContact CD2-CD1 3.81Å; L971-I990 HydrophobicContact CD2-CG1 4.26Å; L971-I990 HydrophobicContact CG-CD1 4.27Å; L971-I990 HydrophobicContact CG-CG1 4.16Å; L971-Y1056 HydrophobicContact CD1-CD2 3.59Å; L971-Y1056 HydrophobicContact CD1-CE2 3.2Å; L971-M1139 HydrophobicContact CD1-CE 4.16Å; L971-M1139 HydrophobicContact CD2-CE 4.2Å; L971-I1146 HydrophobicContact CD2-CD1 3.74Å; L971-I1146 HydrophobicContact CD2-CG1 4.27Å; L971-I1146 HydrophobicContact CD2-CG2 4.03Å
972M43.6Very low38.3Very low60 Ų60107.9 Ų107.930%0.29658%0.579SS.*SBendtrans-105.4124.2173.4-64.3-156.569.400109.6C976M972-C976 HydrophobicContact CE-CB 4Å
973E41.6Very low38.5Very low57 Ų57106.9 Ų106.927%0.26658%0.575SS.*  trans-73128.9158.3-64.7-178176.200105.4N929 E975 K1145N929-E973 WeakPolarHBondContact ND2-CG 3.35Å; E973-E975 PolarHBondContact O-N 3.03Å; E973-K1145 IonicContact OE1-NZ 3.3Å; E973-K1145 PolarHBondContact OE1-NZ 3.04Å
974D38.3Very low38.8Very low138 Ų138108.7 Ų108.774%0.73859%0.586SS**SBendtrans-62.249.3-168.4-77.8-42.4000115.9
975E35.8Very low39.2Very low100 Ų100108.1 Ų108.147%0.46758%0.578SS.*  trans-109.83.4-176.9-75.3-168.6172.500115T925 S926 E973 Y977T925-E975 VanDerWaalsContact CB-OE1 3.24Å; T925-E975 WeakPolarHBondContact CB-OE1 3.44Å; T925-E975 HydrophobicContact CG2-CG 3.37Å; T925-E975 WeakPolarHBondContact CG2-OE1 3.28Å; S926-E975 PolarHBondContact N-OE1 3.34Å; E973-E975 PolarHBondContact O-N 3.03Å; E975-Y977 PolarHBondContact O-N 2.74Å
976C30.6Very low39.7Very low87 Ų87103.1 Ų103.159%0.58856%0.558SS**  trans-101.969.9178.4-85.60000113.4M972M972-C976 HydrophobicContact CE-CB 4Å
977Y32.2Very low40.2Very low219 Ų21998.9 Ų98.986%0.85954%0.54SS*.  trans-13544163.7-82.4-76000112.4E975E975-Y977 PolarHBondContact O-N 2.74Å
978L30.3Very low40.7Very low174 Ų17498.7 Ų98.791%0.91154%0.537SS*.SBendtrans-142.657.8171.2-74.2170.9000112.1
979S30.9Very low41.5Very low97 Ų9793.3 Ų93.368%0.67852%0.518SS*.  trans-175.4129144.152.70000109.9T981S979-T981 VanDerWaalsContact C-N 3.27Å; S979-T981 PolarHBondContact O-N 2.85Å
980P31Very low42.6Very low137 Ų13792 Ų9289%0.8951%0.511SS*.  trans-84.613.5-176.415.6-3.1000114.7
981T32.2Very low43.9Very low109 Ų10988.2 Ų88.267%0.66949%0.485SS*.SBendtrans-124.3103.4-173.835.10000111.2S979S979-T981 VanDerWaalsContact C-N 3.27Å; S979-T981 PolarHBondContact O-N 2.85Å
982I32Very low45.7Very low170 Ų17088.4 Ų88.487%0.87249%0.486SS*.SBendtrans83.674.6167.9-42.4160.8000114.7
983C32.7Very low47.7Very low96 Ų9687.8 Ų87.865%0.64948%0.483SS*.  trans-137.5124.1151.8-117.80000108.6Q985C983-Q985 PolarHBondContact O-N 3.07Å
984P39.8Very low49.8Very low104 Ų10487 Ų8768%0.67548%0.479SS*.  trans-67.9110.3172.827.6-28.3000107.7G986P984-G986 PolarHBondContact O-N 3.25Å
985Q42.7Very low51.7Low147 Ų14781 Ų8169%0.68745%0.446SS*.  trans-53.9124.8178.7-71.1169.8-32.200109.9C983 P1061C983-Q985 PolarHBondContact O-N 3.07Å; Q985-P1061 HydrophobicContact CB-CB 3.83Å; Q985-P1061 HydrophobicContact CB-CG 4.02Å; Q985-P1061 WeakPolarHBondContact O-CD 3.4Å; Q985-P1061 WeakPolarHBondContact O-CG 3.46Å
986G47.4Very low53Low21 Ų2179.6 Ų79.622%0.21644%0.442CS..  trans176.6110.3174.800000109.2P984 Y988P984-G986 PolarHBondContact O-N 3.25Å; G986-Y988 VanDerWaalsContact O-CD2 3.27Å; G986-Y988 WeakPolarHBondContact O-CD2 3.17Å; G986-Y988 WeakPolarHBondContact O-CE2 3.48Å
987S51.9Low54.1Low48 Ų4880.1 Ų80.134%0.33644%0.439SS..  trans-70.8131.4170.949.60000108.3E1059S987-E1059 PolarHBondContact O-N 2.76Å; S987-E1059 WeakPolarHBondContact OG-CB 3.06Å; S987-E1059 PolarHBondContact OG-OE2 3.36Å
988Y60.5Low55Low29 Ų2972.4 Ų72.411%0.11443%0.426CS..EExtended strand (participates in β ladder)trans-110.1128.1177-60.8-78.6000109.1L971 G986 Y1056 Y1057 Y1058 Y1135L971-Y988 WeakPolarHBondContact CB-O 3.47Å; L971-Y988 PolarHBondContact N-O 3.4Å; G986-Y988 VanDerWaalsContact O-CD2 3.27Å; G986-Y988 WeakPolarHBondContact O-CD2 3.17Å; G986-Y988 WeakPolarHBondContact O-CE2 3.48Å; Y988-Y1056 HydrophobicContact CD1-CD1 4.45Å; Y988-Y1056 AromaticContact CD1-CE1 3.25Å; Y988-Y1056 HydrophobicContact CD1-CE1 3.25Å; Y988-Y1056 HydrophobicContact CD1-CE2 4.25Å; Y988-Y1056 AromaticContact CD1-CZ 3.13Å; Y988-Y1056 WeakPolarHBondContact CD1-OH 2.87Å; Y988-Y1056 AromaticContact CE1-CE1 3.68Å; Y988-Y1056 HydrophobicContact CE1-CE1 3.68Å; Y988-Y1056 AromaticContact CE1-CZ 3.7Å; Y988-Y1056 WeakPolarHBondContact CE1-OH 3.37Å; Y988-Y1056 HydrophobicContact CG-CE1 4.17Å; Y988-Y1056 HydrophobicContact CG-CE2 4.43Å; Y988-Y1056 AromaticContact CG-CZ 3.63Å; Y988-Y1057 WeakPolarHBondContact CA-O 3.24Å; Y988-Y1058 HydrophobicContact CE1-CG 4.29Å; Y988-Y1135 AromaticContact CD2-CE1 3.9Å; Y988-Y1135 HydrophobicContact CD2-CE1 3.9Å; Y988-Y1135 AromaticContact CD2-CZ 3.71Å; Y988-Y1135 WeakPolarHBondContact CD2-OH 3.21Å; Y988-Y1135 HydrophobicContact CE2-CD1 4.33Å; Y988-Y1135 AromaticContact CE2-CE1 3.38Å; Y988-Y1135 HydrophobicContact CE2-CE1 3.38Å; Y988-Y1135 HydrophobicContact CE2-CE2 4.37Å; Y988-Y1135 AromaticContact CE2-CZ 3.43Å; Y988-Y1135 VanDerWaalsContact CE2-CZ 3.43Å; Y988-Y1135 VanDerWaalsContact CE2-OH 3.29Å; Y988-Y1135 WeakPolarHBondContact CE2-OH 3.41Å; Y988-Y1135 AromaticContact CZ-CE1 3.99Å
989E68.2Low56Low32 Ų3272 Ų7215%0.1542%0.424CS..EExtended strand (participates in β ladder)trans-130.8141.7-178.5-69-170.3153.500109.8R968 F991 Y1057R968-E989 IonicContact CZ-OE2 2.59Å; R968-E989 IonicContact NE-OE2 3.44Å; R968-E989 IonicContact NH1-OE1 3.84Å; R968-E989 PolarHBondContact NH1-OE1 2.78Å; R968-E989 IonicContact NH1-OE2 2.76Å; R968-E989 PolarHBondContact NH1-OE2 3.29Å; E989-F991 HydrophobicContact CB-CD2 4.23Å; E989-F991 HydrophobicContact CB-CE2 3.58Å; E989-F991 HydrophobicContact CB-CZ 4.19Å; E989-F991 WeakPolarHBondContact OE2-CZ 2.99Å; E989-Y1057 PolarHBondContact N-O 3.11Å; E989-Y1057 PolarHBondContact O-N 2.82Å
990I74.8Confident57.4Low0 Ų070.8 Ų70.80%041%0.407CS..EExtended strand (participates in β ladder)trans-105129.6169.6-57.7174.1000109.2I969 L971 A1054 R1055 Y1056 V1072 W1143 I1146 L1150I969-I990 HydrophobicContact CB-CB 4.43Å; I969-I990 PolarHBondContact N-O 2.87Å; I969-I990 PolarHBondContact O-N 3.31Å; L971-I990 HydrophobicContact CD1-CD1 4.19Å; L971-I990 HydrophobicContact CD1-CG1 3.85Å; L971-I990 HydrophobicContact CD2-CD1 3.81Å; L971-I990 HydrophobicContact CD2-CG1 4.26Å; L971-I990 HydrophobicContact CG-CD1 4.27Å; L971-I990 HydrophobicContact CG-CG1 4.16Å; I990-A1054 HydrophobicContact CG2-CB 4.08Å; I990-R1055 CarbonylContact C-O 3.58Å; I990-R1055 VanDerWaalsContact CA-O 3.29Å; I990-R1055 WeakPolarHBondContact CA-O 3.22Å; I990-R1055 WeakPolarHBondContact CG2-O 3.25Å; I990-Y1056 HydrophobicContact CG1-CD2 4.19Å; I990-V1072 HydrophobicContact CD1-CG2 4.24Å; I990-V1072 HydrophobicContact CG2-CG2 4.15Å; I990-W1143 HydrophobicContact CD1-CH2 4.48Å; I990-I1146 HydrophobicContact CD1-CG2 4.23Å; I990-L1150 HydrophobicContact CB-CD2 4.3Å; I990-L1150 HydrophobicContact CD1-CD1 3.73Å; I990-L1150 HydrophobicContact CD1-CD2 4.13Å; I990-L1150 HydrophobicContact CD1-CG 4.37Å; I990-L1150 HydrophobicContact CG2-CD2 3.59Å
991F79.8Confident59.1Low13 Ų1366.9 Ų66.96%0.05738%0.383CS..EExtended strand (participates in β ladder)trans-111.5137.6177.7-66.3-99.6000109.7L965 R968 E989 A1054 R1055 Y1057L965-F991 HydrophobicContact CD2-CD1 3.98Å; L965-F991 HydrophobicContact CD2-CE1 3.73Å; R968-F991 HydrophobicContact CG-CD1 4.1Å; R968-F991 HydrophobicContact CG-CE1 3.55Å; R968-F991 HydrophobicContact CG-CZ 4.1Å; E989-F991 HydrophobicContact CB-CD2 4.23Å; E989-F991 HydrophobicContact CB-CE2 3.58Å; E989-F991 HydrophobicContact CB-CZ 4.19Å; E989-F991 WeakPolarHBondContact OE2-CZ 2.99Å; F991-A1054 CarbonylContact O-C 3.58Å; F991-A1054 WeakPolarHBondContact O-CA 3.45Å; F991-R1055 PolarHBondContact N-O 2.92Å; F991-R1055 PolarHBondContact O-N 3.43Å; F991-Y1057 HydrophobicContact CB-CD2 4.13Å; F991-Y1057 HydrophobicContact CB-CE2 3.86Å; F991-Y1057 AromaticContact CD2-CD2 3.24Å; F991-Y1057 HydrophobicContact CD2-CD2 3.24Å; F991-Y1057 AromaticContact CD2-CE2 3.78Å; F991-Y1057 HydrophobicContact CD2-CE2 3.78Å; F991-Y1057 AromaticContact CD2-CG 3.86Å; F991-Y1057 HydrophobicContact CD2-CG 3.86Å; F991-Y1057 AromaticContact CE2-CD2 3.91Å; F991-Y1057 HydrophobicContact CE2-CD2 3.91Å; F991-Y1057 HydrophobicContact CE2-CG 4.05Å; F991-Y1057 HydrophobicContact CG-CD2 4.01Å; F991-Y1057 HydrophobicContact CG-CE2 4.08Å
992I84.3Confident61Low19 Ų1966.9 Ų66.910%0.09738%0.383CS..EExtended strand (participates in β ladder)trans-102.1124170.3-65.5168000107.8I969 L1052 T1053 A1054 R1153 L1154I969-I992 HydrophobicContact CD1-CD1 4.44Å; I992-L1052 HydrophobicContact CG2-CB 3.99Å; I992-L1052 HydrophobicContact CG2-CD1 4.33Å; I992-T1053 WeakPolarHBondContact CA-O 3.25Å; I992-A1054 HydrophobicContact CG1-CB 4.02Å; I992-R1153 HydrophobicContact CD1-CB 3.75Å; I992-R1153 HydrophobicContact CD1-CG 3.32Å; I992-L1154 HydrophobicContact CD1-CD2 4.23Å; I992-L1154 HydrophobicContact CD1-CG 4.25Å; I992-L1154 HydrophobicContact CG1-CD2 4.25Å; I992-L1154 HydrophobicContact CG2-CD2 4.02Å
993E84.1Confident62.9Low47 Ų4763.4 Ų63.422%0.2237%0.369CS..EExtended strand (participates in β ladder)trans-123.7140.4-177.7-67168.3-168.900108.3L1052 T1053 R1055 Y1057E993-L1052 CarbonylContact O-C 3.49Å; E993-L1052 WeakPolarHBondContact O-CA 3.09Å; E993-T1053 PolarHBondContact N-O 2.75Å; E993-T1053 PolarHBondContact O-N 2.81Å; E993-T1053 PolarHBondContact O-OG1 3.43Å; E993-R1055 IonicContact OE2-NH1 3.91Å; E993-Y1057 PolarHBondContact OE1-OH 3.33Å
994Q86.3Confident65Low41 Ų4161.2 Ų61.219%0.19235%0.35CS..EExtended strand (participates in β ladder)trans-75.4129165.3-174.9174.3-1100107.8N996 V1051 L1052Q994-N996 VanDerWaalsContact C-N 3.29Å; Q994-N996 PolarHBondContact O-N 2.9Å; Q994-V1051 WeakPolarHBondContact CA-O 3.29Å; Q994-L1052 HydrophobicContact CB-CD2 3.8Å; Q994-L1052 HydrophobicContact CG-CD2 4.06Å
995W78.8Confident67.3Low12 Ų1258.4 Ų58.45%0.04533%0.326CS..  trans-68.493.7172.4-168.252.5000107.2F1000 R1005 I1008 L1041 V1051 T1053W995-F1000 HydrophobicContact CB-CE1 4.41Å; W995-F1000 AromaticContact CD1-CD1 3.78Å; W995-F1000 AromaticContact CD1-CE1 3.62Å; W995-F1000 AromaticContact CD2-CD1 3.99Å; W995-F1000 HydrophobicContact CD2-CD1 3.99Å; W995-F1000 AromaticContact CD2-CE1 3.54Å; W995-F1000 HydrophobicContact CD2-CE1 3.54Å; W995-F1000 AromaticContact CD2-CZ 3.97Å; W995-F1000 HydrophobicContact CD2-CZ 3.97Å; W995-F1000 AromaticContact CE2-CD1 3.44Å; W995-F1000 VanDerWaalsContact CE2-CD1 3.44Å; W995-F1000 AromaticContact CE2-CE1 3.53Å; W995-F1000 AromaticContact CE2-CG 3.98Å; W995-F1000 HydrophobicContact CE3-CE1 4.18Å; W995-F1000 HydrophobicContact CE3-CZ 4.13Å; W995-F1000 HydrophobicContact CG-CD1 4.18Å; W995-F1000 AromaticContact CG-CE1 3.62Å; W995-F1000 HydrophobicContact CG-CE1 3.62Å; W995-F1000 HydrophobicContact CG-CZ 4.34Å; W995-F1000 HydrophobicContact CZ2-CB 4.23Å; W995-F1000 AromaticContact CZ2-CD1 3.86Å; W995-F1000 HydrophobicContact CZ2-CD1 3.86Å; W995-F1000 HydrophobicContact CZ2-CD2 4.32Å; W995-F1000 HydrophobicContact CZ2-CE1 4.18Å; W995-F1000 AromaticContact CZ2-CG 3.89Å; W995-F1000 HydrophobicContact CZ2-CG 3.89Å; W995-F1000 HydrophobicContact CZ3-CZ 4.49Å; W995-F1000 AromaticContact NE1-CD1 3.28Å; W995-F1000 VanDerWaalsContact NE1-CD1 3.28Å; W995-F1000 AromaticContact NE1-CE1 3.55Å; W995-R1005 HydrophobicContact CZ2-CB 4.42Å; W995-I1008 HydrophobicContact CD2-CD1 3.74Å; W995-I1008 HydrophobicContact CE3-CD1 4.3Å; W995-I1008 HydrophobicContact CG-CD1 3.98Å; W995-I1008 HydrophobicContact CZ2-CD1 4.1Å; W995-L1041 HydrophobicContact CE3-CD2 4.38Å; W995-L1041 HydrophobicContact CH2-CD2 4.09Å; W995-L1041 HydrophobicContact CZ3-CD2 3.67Å; W995-V1051 HydrophobicContact CB-CB 3.95Å; W995-V1051 HydrophobicContact CB-CG1 3.87Å; W995-V1051 HydrophobicContact CD2-CG1 4.33Å; W995-V1051 HydrophobicContact CE3-CB 3.91Å; W995-V1051 HydrophobicContact CE3-CG1 3.89Å; W995-V1051 HydrophobicContact CE3-CG2 4.04Å; W995-V1051 HydrophobicContact CG-CG1 4.38Å; W995-V1051 PolarHBondContact N-O 3.15Å; W995-T1053 HydrophobicContact CB-CG2 4.39Å
996N62.1Low69.4Low69 Ų6956.4 Ų56.437%0.36932%0.316SS..  trans-64.4127-162.6-100.2-16.1000115.4T962 Q994 G998 F1000T962-N996 PolarHBondContact O-ND2 3.23Å; Q994-N996 VanDerWaalsContact C-N 3.29Å; Q994-N996 PolarHBondContact O-N 2.9Å; N996-G998 PolarHBondContact O-N 2.88Å; N996-F1000 WeakPolarHBondContact O-CE1 3.41Å; N996-F1000 WeakPolarHBondContact O-CZ 3.34Å
997D53.5Low71.3Confident98 Ų9858.7 Ų58.752%0.52432%0.321SS..THydrogen-bonded Turntrans-31.890.3168.4-72.6-37.8000116.5P1048D997-P1048 WeakPolarHBondContact OD1-CB 3.45Å
998G51.6Low73.1Confident57 Ų5756.5 Ų56.559%0.58831%0.305SS*.THydrogen-bonded Turntrans119.9-10.8147.100000119N996N996-G998 PolarHBondContact O-N 2.88Å
999N52Low74.6Confident165 Ų16555.4 Ų55.488%0.88230%0.302SS*.  trans-129.983.1179.2-88.6-22.5000111.3
1000F59.7Low75.6Confident73 Ų7357.3 Ų57.332%0.3231%0.313SS..  trans-110.7138.1-172.2-57.7-65.5000113.6W995 N996W995-F1000 HydrophobicContact CB-CE1 4.41Å; W995-F1000 AromaticContact CD1-CD1 3.78Å; W995-F1000 AromaticContact CD1-CE1 3.62Å; W995-F1000 AromaticContact CD2-CD1 3.99Å; W995-F1000 HydrophobicContact CD2-CD1 3.99Å; W995-F1000 AromaticContact CD2-CE1 3.54Å; W995-F1000 HydrophobicContact CD2-CE1 3.54Å; W995-F1000 AromaticContact CD2-CZ 3.97Å; W995-F1000 HydrophobicContact CD2-CZ 3.97Å; W995-F1000 AromaticContact CE2-CD1 3.44Å; W995-F1000 VanDerWaalsContact CE2-CD1 3.44Å; W995-F1000 AromaticContact CE2-CE1 3.53Å; W995-F1000 AromaticContact CE2-CG 3.98Å; W995-F1000 HydrophobicContact CE3-CE1 4.18Å; W995-F1000 HydrophobicContact CE3-CZ 4.13Å; W995-F1000 HydrophobicContact CG-CD1 4.18Å; W995-F1000 AromaticContact CG-CE1 3.62Å; W995-F1000 HydrophobicContact CG-CE1 3.62Å; W995-F1000 HydrophobicContact CG-CZ 4.34Å; W995-F1000 HydrophobicContact CZ2-CB 4.23Å; W995-F1000 AromaticContact CZ2-CD1 3.86Å; W995-F1000 HydrophobicContact CZ2-CD1 3.86Å; W995-F1000 HydrophobicContact CZ2-CD2 4.32Å; W995-F1000 HydrophobicContact CZ2-CE1 4.18Å; W995-F1000 AromaticContact CZ2-CG 3.89Å; W995-F1000 HydrophobicContact CZ2-CG 3.89Å; W995-F1000 HydrophobicContact CZ3-CZ 4.49Å; W995-F1000 AromaticContact NE1-CD1 3.28Å; W995-F1000 VanDerWaalsContact NE1-CD1 3.28Å; W995-F1000 AromaticContact NE1-CE1 3.55Å; N996-F1000 WeakPolarHBondContact O-CE1 3.41Å; N996-F1000 WeakPolarHBondContact O-CZ 3.34Å
1001S66.6Low76.3Confident55 Ų5557.9 Ų57.939%0.38532%0.317SS..  trans-83.5140.3170.391.10000110.9T1003 E1004S1001-T1003 PolarHBondContact O-N 3.18Å; S1001-T1003 VanDerWaalsContact O-N 3.08Å; S1001-T1003 PolarHBondContact OG-OG1 3.13Å; S1001-E1004 PolarHBondContact O-N 3.29Å; S1001-E1004 VanDerWaalsContact O-N 3.12Å; S1001-E1004 PolarHBondContact OG-N 3.29Å
1002V71.4Confident76.9Confident109 Ų10957.3 Ų57.366%0.66131%0.314SS*.Hα-helixtrans-53.5-31.4177.3176.40000111.8H1006V1002-H1006 PolarHBondContact O-N 2.79Å; V1002-H1006 PolarHBondContact O-ND1 3.03Å
1003T73.5Confident77.2Confident96 Ų9656.4 Ų56.459%0.58931%0.309SS*.Hα-helixtrans-63-44.9178.13.80000113.5S1001 R1005 H1006 E1007S1001-T1003 PolarHBondContact O-N 3.18Å; S1001-T1003 VanDerWaalsContact O-N 3.08Å; S1001-T1003 PolarHBondContact OG-OG1 3.13Å; T1003-R1005 VanDerWaalsContact C-N 3.34Å; T1003-R1005 PolarHBondContact O-N 2.79Å; T1003-H1006 PolarHBondContact O-N 3.26Å; T1003-E1007 PolarHBondContact O-N 2.84Å
1004E76.7Confident77.4Confident51 Ų5155.7 Ų55.724%0.23831%0.307CS..Hα-helixtrans-70.6-34-178.6-64.1-171.313200112.1S1001 E1007 I1008 R1055S1001-E1004 PolarHBondContact O-N 3.29Å; S1001-E1004 VanDerWaalsContact O-N 3.12Å; S1001-E1004 PolarHBondContact OG-N 3.29Å; E1004-E1007 PolarHBondContact O-N 3.21Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.5Å; E1004-I1008 PolarHBondContact O-N 3.13Å; E1004-R1055 IonicContact OE1-CZ 2.87Å; E1004-R1055 VanDerWaalsContact OE1-CZ 3.26Å; E1004-R1055 IonicContact OE1-NH1 3.39Å; E1004-R1055 PolarHBondContact OE1-NH1 2.93Å; E1004-R1055 IonicContact OE1-NH2 2.76Å; E1004-R1055 PolarHBondContact OE1-NH2 3.12Å
1005R86.8Confident77.4Confident45 Ų4554.2 Ų54.217%0.1730%0.302CS..Hα-helixtrans-61.2-46.7173.8-170.6-174.7-175105-2.2110.9W995 T1003 E1007 I1008 V1009 E1038 L1041 N1042W995-R1005 HydrophobicContact CZ2-CB 4.42Å; T1003-R1005 VanDerWaalsContact C-N 3.34Å; T1003-R1005 PolarHBondContact O-N 2.79Å; R1005-E1007 VanDerWaalsContact C-N 3.33Å; R1005-E1007 PolarHBondContact O-N 2.7Å; R1005-I1008 PolarHBondContact O-N 3Å; R1005-V1009 WeakPolarHBondContact O-CG2 3.39Å; R1005-V1009 PolarHBondContact O-N 3.5Å; R1005-E1038 IonicContact CZ-OE2 2.87Å; R1005-E1038 IonicContact NE-OE1 3.31Å; R1005-E1038 PolarHBondContact NE-OE1 3.35Å; R1005-E1038 IonicContact NE-OE2 2.73Å; R1005-E1038 PolarHBondContact NE-OE2 2.84Å; R1005-E1038 IonicContact NH2-OE2 3.32Å; R1005-E1038 PolarHBondContact NH2-OE2 3.5Å; R1005-L1041 HydrophobicContact CG-CD1 4.1Å; R1005-N1042 PolarHBondContact NH2-OD1 3Å
1006H87.3Confident77.9Confident104 Ų10455 Ų5548%0.48131%0.306SS..Hα-helixtrans-61.7-40.4176.3-79.278.6000111.8V1002 T1003 I1008 V1009 D1010V1002-H1006 PolarHBondContact O-N 2.79Å; V1002-H1006 PolarHBondContact O-ND1 3.03Å; T1003-H1006 PolarHBondContact O-N 3.26Å; H1006-I1008 PolarHBondContact O-N 3.06Å; H1006-V1009 PolarHBondContact O-N 3.27Å; H1006-D1010 WeakPolarHBondContact O-CB 3.42Å; H1006-D1010 PolarHBondContact O-N 3.21Å
1007E87.2Confident79Confident69 Ų6954.6 Ų54.632%0.32230%0.303SS..Hα-helixtrans-60.9-44.3175.1-74.6-178.3178.600112.3T1003 E1004 R1005 D1010 V1011 R1055 L1071T1003-E1007 PolarHBondContact O-N 2.84Å; E1004-E1007 PolarHBondContact O-N 3.21Å; R1005-E1007 VanDerWaalsContact C-N 3.33Å; R1005-E1007 PolarHBondContact O-N 2.7Å; E1007-D1010 PolarHBondContact O-N 3.16Å; E1007-V1011 WeakPolarHBondContact O-CB 3.46Å; E1007-V1011 VanDerWaalsContact O-CG2 3.28Å; E1007-V1011 WeakPolarHBondContact O-CG2 3.49Å; E1007-V1011 PolarHBondContact O-N 3.34Å; E1007-R1055 IonicContact OE2-NH2 2.74Å; E1007-R1055 PolarHBondContact OE2-NH2 3.07Å; E1007-L1071 HydrophobicContact CB-CB 4.47Å; E1007-L1071 HydrophobicContact CB-CD2 4.01Å
1008I90.1Very high80.1Confident2 Ų255 Ų551%0.0130%0.301CS..Hα-helixtrans-60.4-48.6177.6-71.6166.9000110.6W995 E1004 R1005 H1006 V1011 L1012 L1041 T1053 L1071 V1074W995-I1008 HydrophobicContact CD2-CD1 3.74Å; W995-I1008 HydrophobicContact CE3-CD1 4.3Å; W995-I1008 HydrophobicContact CG-CD1 3.98Å; W995-I1008 HydrophobicContact CZ2-CD1 4.1Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.5Å; E1004-I1008 PolarHBondContact O-N 3.13Å; R1005-I1008 PolarHBondContact O-N 3Å; H1006-I1008 PolarHBondContact O-N 3.06Å; I1008-V1011 PolarHBondContact O-N 2.67Å; I1008-L1012 HydrophobicContact CG2-CD1 3.97Å; I1008-L1012 WeakPolarHBondContact O-CG 3.46Å; I1008-L1012 PolarHBondContact O-N 2.98Å; I1008-L1041 HydrophobicContact CG2-CD1 4.06Å; I1008-L1041 HydrophobicContact CG2-CD2 4.22Å; I1008-T1053 HydrophobicContact CD1-CG2 3.95Å; I1008-T1053 HydrophobicContact CG1-CG2 4.05Å; I1008-L1071 HydrophobicContact CB-CD2 4.26Å; I1008-L1071 HydrophobicContact CG1-CD2 3.68Å; I1008-V1074 HydrophobicContact CG1-CG2 4.32Å; I1008-V1074 HydrophobicContact CG2-CG1 3.96Å; I1008-V1074 HydrophobicContact CG2-CG2 4.28Å
1009V92.1Very high81.1Confident7 Ų757.3 Ų57.34%0.04230%0.295CS..Hα-helixtrans-58.5-51.2177.6172.40000110R1005 H1006 V1011 L1012 V1013 T1034 I1037 E1038 L1041R1005-V1009 WeakPolarHBondContact O-CG2 3.39Å; R1005-V1009 PolarHBondContact O-N 3.5Å; H1006-V1009 PolarHBondContact O-N 3.27Å; V1009-V1011 PolarHBondContact O-N 2.97Å; V1009-L1012 PolarHBondContact O-N 3.29Å; V1009-V1013 HydrophobicContact CG1-CG2 4Å; V1009-V1013 VanDerWaalsContact O-CB 3.3Å; V1009-V1013 WeakPolarHBondContact O-CB 3.5Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.08Å; V1009-V1013 PolarHBondContact O-N 2.86Å; V1009-T1034 HydrophobicContact CG1-CG2 3.91Å; V1009-I1037 HydrophobicContact CG2-CG2 3.88Å; V1009-E1038 HydrophobicContact CG2-CG 4.48Å; V1009-L1041 HydrophobicContact CG2-CD1 3.81Å
1010D88.9Confident82.7Confident72 Ų7250 Ų5039%0.38526%0.257SS..Hα-helixtrans-61.9-41.4-178.4-83.6-23000112.7H1006 E1007 N1014 R1030H1006-D1010 WeakPolarHBondContact O-CB 3.42Å; H1006-D1010 PolarHBondContact O-N 3.21Å; E1007-D1010 PolarHBondContact O-N 3.16Å; D1010-N1014 WeakPolarHBondContact O-CB 3.29Å; D1010-N1014 PolarHBondContact O-N 3.38Å; D1010-N1014 PolarHBondContact O-ND2 3.35Å; D1010-R1030 IonicContact OD1-CZ 2.64Å; D1010-R1030 IonicContact OD1-NH2 2.69Å; D1010-R1030 PolarHBondContact OD1-NH2 3.2Å
1011V89.1Confident84.1Confident12 Ų1250.8 Ų50.87%0.07326%0.257CS..Hα-helixtrans-63.9-45.9178.7165.70000111E1007 I1008 V1009 A1015 L1071 V1074 T1125E1007-V1011 WeakPolarHBondContact O-CB 3.46Å; E1007-V1011 VanDerWaalsContact O-CG2 3.28Å; E1007-V1011 WeakPolarHBondContact O-CG2 3.49Å; E1007-V1011 PolarHBondContact O-N 3.34Å; I1008-V1011 PolarHBondContact O-N 2.67Å; V1009-V1011 PolarHBondContact O-N 2.97Å; V1011-A1015 WeakPolarHBondContact O-CB 3.31Å; V1011-A1015 PolarHBondContact O-N 2.75Å; V1011-A1015 VanDerWaalsContact O-N 3.09Å; V1011-L1071 HydrophobicContact CB-CD2 4.14Å; V1011-L1071 HydrophobicContact CB-CG 4.43Å; V1011-L1071 HydrophobicContact CG1-CG 4.48Å; V1011-L1071 HydrophobicContact CG2-CB 4.03Å; V1011-L1071 HydrophobicContact CG2-CD2 3.88Å; V1011-L1071 HydrophobicContact CG2-CG 3.91Å; V1011-V1074 HydrophobicContact CG1-CG2 4.07Å; V1011-T1125 HydrophobicContact CB-CG2 4.2Å; V1011-T1125 HydrophobicContact CG1-CG2 3.64Å; V1011-T1125 WeakPolarHBondContact O-CG2 3.24Å
1012L92Very high85.2Confident0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-65.9-53.3177.6-72171.6000110.8I1008 V1009 N1014 A1015 F1016 I1037 V1074 I1076 M1121 A1123I1008-L1012 HydrophobicContact CG2-CD1 3.97Å; I1008-L1012 WeakPolarHBondContact O-CG 3.46Å; I1008-L1012 PolarHBondContact O-N 2.98Å; V1009-L1012 PolarHBondContact O-N 3.29Å; L1012-N1014 VanDerWaalsContact C-N 3.31Å; L1012-N1014 PolarHBondContact O-N 2.93Å; L1012-A1015 PolarHBondContact O-N 3.18Å; L1012-F1016 HydrophobicContact CD2-CE2 4.26Å; L1012-F1016 VanDerWaalsContact O-CD2 3.29Å; L1012-F1016 WeakPolarHBondContact O-CD2 3.3Å; L1012-F1016 PolarHBondContact O-N 3.15Å; L1012-I1037 HydrophobicContact CB-CD1 3.51Å; L1012-I1037 HydrophobicContact CB-CG1 4.17Å; L1012-I1037 HydrophobicContact CD1-CD1 4.38Å; L1012-I1037 HydrophobicContact CD1-CG1 4.2Å; L1012-I1037 HydrophobicContact CD1-CG2 3.84Å; L1012-V1074 HydrophobicContact CD1-CB 4.48Å; L1012-V1074 HydrophobicContact CD1-CG1 4.18Å; L1012-V1074 HydrophobicContact CD2-CB 4.03Å; L1012-V1074 HydrophobicContact CD2-CG1 4.44Å; L1012-V1074 HydrophobicContact CG-CB 4.18Å; L1012-V1074 HydrophobicContact CG-CG1 4.42Å; L1012-I1076 HydrophobicContact CD1-CD1 3.48Å; L1012-I1076 VanDerWaalsContact CD1-CD1 3.48Å; L1012-I1076 HydrophobicContact CD1-CG1 4.29Å; L1012-M1121 HydrophobicContact CD2-CB 4.32Å; L1012-A1123 HydrophobicContact CD2-CB 3.69Å
1013V92.2Very high86.2Confident0 Ų043.6 Ų43.60%021%0.211CC..Hα-helixtrans-53.5-48179.3170.20000111.4V1009 A1015 F1016 I1017 R1030 L1033 I1037V1009-V1013 HydrophobicContact CG1-CG2 4Å; V1009-V1013 VanDerWaalsContact O-CB 3.3Å; V1009-V1013 WeakPolarHBondContact O-CB 3.5Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.08Å; V1009-V1013 PolarHBondContact O-N 2.86Å; V1013-A1015 VanDerWaalsContact C-N 3.34Å; V1013-A1015 PolarHBondContact O-N 3.41Å; V1013-F1016 PolarHBondContact O-N 3.32Å; V1013-I1017 HydrophobicContact CG1-CD1 3.66Å; V1013-I1017 HydrophobicContact CG1-CG1 4.38Å; V1013-I1017 WeakPolarHBondContact O-CB 3.25Å; V1013-I1017 VanDerWaalsContact O-CG1 3.28Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.19Å; V1013-I1017 PolarHBondContact O-N 3.48Å; V1013-R1030 HydrophobicContact CG1-CB 4.38Å; V1013-R1030 HydrophobicContact CG1-CG 3.32Å; V1013-L1033 HydrophobicContact CG2-CB 4.17Å; V1013-I1037 HydrophobicContact CB-CD1 4.43Å; V1013-I1037 HydrophobicContact CG2-CD1 3.45Å; V1013-I1037 VanDerWaalsContact CG2-CD1 3.45Å
1014N86.9Confident87Confident33 Ų3343 Ų4318%0.17620%0.202CC..Hα-helixtrans-63.1-41.3179.5-69.7-26.9000111.6D1010 L1012 E1018 R1030 T1125 Q1127D1010-N1014 WeakPolarHBondContact O-CB 3.29Å; D1010-N1014 PolarHBondContact O-N 3.38Å; D1010-N1014 PolarHBondContact O-ND2 3.35Å; L1012-N1014 VanDerWaalsContact C-N 3.31Å; L1012-N1014 PolarHBondContact O-N 2.93Å; N1014-E1018 WeakPolarHBondContact O-CB 3.37Å; N1014-E1018 VanDerWaalsContact O-CG 3.31Å; N1014-E1018 WeakPolarHBondContact O-CG 3.34Å; N1014-E1018 PolarHBondContact O-N 3.48Å; N1014-R1030 PolarHBondContact OD1-NH1 3.35Å; N1014-R1030 PolarHBondContact OD1-NH2 2.88Å; N1014-T1125 HydrophobicContact CB-CG2 4.45Å; N1014-Q1127 PolarHBondContact ND2-NE2 2.85Å
1015A87.4Confident87.7Confident9 Ų941.3 Ų41.37%0.07420%0.196CC..Hα-helixtrans-66.9-41.8179.600000112.7V1011 L1012 V1013 K1019 A1123 T1125V1011-A1015 WeakPolarHBondContact O-CB 3.31Å; V1011-A1015 PolarHBondContact O-N 2.75Å; V1011-A1015 VanDerWaalsContact O-N 3.09Å; L1012-A1015 PolarHBondContact O-N 3.18Å; V1013-A1015 VanDerWaalsContact C-N 3.34Å; V1013-A1015 PolarHBondContact O-N 3.41Å; A1015-K1019 WeakPolarHBondContact O-CB 3.37Å; A1015-K1019 PolarHBondContact O-N 2.9Å; A1015-A1123 HydrophobicContact CB-CB 3.39Å; A1015-T1125 HydrophobicContact CB-CG2 3.88Å
1016F89.6Confident87.8Confident30 Ų3040 Ų4013%0.13219%0.192CC..Hα-helixtrans-69.2-43178.3-82.6-90.9000111.7L1012 V1013 E1018 D1020 L1033 M1121 A1123L1012-F1016 HydrophobicContact CD2-CE2 4.26Å; L1012-F1016 VanDerWaalsContact O-CD2 3.29Å; L1012-F1016 WeakPolarHBondContact O-CD2 3.3Å; L1012-F1016 PolarHBondContact O-N 3.15Å; V1013-F1016 PolarHBondContact O-N 3.32Å; F1016-E1018 VanDerWaalsContact C-N 3.32Å; F1016-E1018 PolarHBondContact O-N 3.09Å; F1016-D1020 HydrophobicContact CB-CB 4.14Å; F1016-D1020 HydrophobicContact CD1-CB 3.47Å; F1016-D1020 VanDerWaalsContact CD1-CB 3.47Å; F1016-D1020 HydrophobicContact CE1-CB 4.23Å; F1016-D1020 HydrophobicContact CG-CB 4.15Å; F1016-D1020 VanDerWaalsContact O-CB 3.28Å; F1016-D1020 WeakPolarHBondContact O-CB 3.2Å; F1016-D1020 PolarHBondContact O-N 3.24Å; F1016-L1033 HydrophobicContact CB-CD1 3.88Å; F1016-L1033 HydrophobicContact CB-CD2 4.06Å; F1016-L1033 HydrophobicContact CG-CD2 4.45Å; F1016-M1121 HydrophobicContact CE2-CB 4.26Å; F1016-M1121 HydrophobicContact CE2-CG 4.3Å; F1016-M1121 HydrophobicContact CE2-SD 4.38Å; F1016-M1121 HydrophobicContact CZ-CB 4.31Å; F1016-M1121 HydrophobicContact CZ-CG 4.16Å; F1016-A1123 HydrophobicContact CD2-CB 4.41Å; F1016-A1123 HydrophobicContact CE2-CB 4.13Å
1017I83.7Confident88Confident60 Ų6042.6 Ų42.631%0.30820%0.202SC..Hα-helixtrans-62.8-37.4175.9-69.9176.4000112.2V1013 H1024 R1030 L1033V1013-I1017 HydrophobicContact CG1-CD1 3.66Å; V1013-I1017 HydrophobicContact CG1-CG1 4.38Å; V1013-I1017 WeakPolarHBondContact O-CB 3.25Å; V1013-I1017 VanDerWaalsContact O-CG1 3.28Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.19Å; V1013-I1017 PolarHBondContact O-N 3.48Å; I1017-H1024 PolarHBondContact O-CE1 3.23Å; I1017-H1024 PolarHBondContact O-NE2 3.17Å; I1017-H1024 VanDerWaalsContact O-NE2 3.1Å; I1017-R1030 HydrophobicContact CD1-CB 3.8Å; I1017-R1030 HydrophobicContact CD1-CG 3.81Å; I1017-L1033 HydrophobicContact CD1-CD1 4.28Å; I1017-L1033 HydrophobicContact CG1-CD1 3.5Å; I1017-L1033 VanDerWaalsContact CG1-CD1 3.5Å
1018E77Confident88.2Confident105 Ų10540.5 Ų40.549%0.49119%0.193SC..Hα-helixtrans-80.4-31.6-177.2-76.9-176.1176.900113.4N1014 F1016N1014-E1018 WeakPolarHBondContact O-CB 3.37Å; N1014-E1018 VanDerWaalsContact O-CG 3.31Å; N1014-E1018 WeakPolarHBondContact O-CG 3.34Å; N1014-E1018 PolarHBondContact O-N 3.48Å; F1016-E1018 VanDerWaalsContact C-N 3.32Å; F1016-E1018 PolarHBondContact O-N 3.09Å
1019K73.7Confident88.3Confident106 Ų10643.6 Ų43.646%0.46121%0.21SC..Hα-helixtrans-136.9-10.4-161.8-59.5-173.6-176.3173.80115.9A1015 R1021A1015-K1019 WeakPolarHBondContact O-CB 3.37Å; A1015-K1019 PolarHBondContact O-N 2.9Å; K1019-R1021 PolarHBondContact O-N 3.49Å
1020D85.6Confident88.4Confident13 Ų1348.1 Ų48.17%0.0723%0.226CC..  trans-89.9109.8-176.7-179.250.1000112.2F1016 L1022 S1023 H1024F1016-D1020 HydrophobicContact CB-CB 4.14Å; F1016-D1020 HydrophobicContact CD1-CB 3.47Å; F1016-D1020 VanDerWaalsContact CD1-CB 3.47Å; F1016-D1020 HydrophobicContact CE1-CB 4.23Å; F1016-D1020 HydrophobicContact CG-CB 4.15Å; F1016-D1020 VanDerWaalsContact O-CB 3.28Å; F1016-D1020 WeakPolarHBondContact O-CB 3.2Å; F1016-D1020 PolarHBondContact O-N 3.24Å; D1020-L1022 PolarHBondContact O-N 3.11Å; D1020-S1023 PolarHBondContact O-N 3.32Å; D1020-S1023 VanDerWaalsContact OD2-CB 3.24Å; D1020-S1023 WeakPolarHBondContact OD2-CB 3.48Å; D1020-S1023 PolarHBondContact OD2-N 3.11Å; D1020-S1023 PolarHBondContact OD2-OG 3.47Å; D1020-H1024 PolarHBondContact O-CD2 3.16Å; D1020-H1024 PolarHBondContact O-N 3.39Å; D1020-H1024 VanDerWaalsContact O-N 3.15Å
1021R88Confident88.6Confident89 Ų8949.5 Ų49.534%0.33624%0.237SC..Hα-helixtrans-62.6-32.2-178.6-64.5-177.773.4171.9-0.5112.1K1019 H1024 A1025 Q1210 I1214K1019-R1021 PolarHBondContact O-N 3.49Å; R1021-H1024 PolarHBondContact O-N 2.8Å; R1021-A1025 WeakPolarHBondContact O-CB 3.5Å; R1021-A1025 PolarHBondContact O-N 2.96Å; R1021-Q1210 PolarHBondContact NH2-O 3.09Å; R1021-I1214 HydrophobicContact CB-CD1 3.76Å; R1021-I1214 HydrophobicContact CB-CG1 4.2Å; R1021-I1214 WeakPolarHBondContact O-CD1 3.28Å
1022L90.6Very high88.8Confident7 Ų749.3 Ų49.34%0.03724%0.236CC..Hα-helixtrans-68.3-45.7178.6-178.265000111D1020 H1024 A1025 L1026 F1098 F1099 T1175 L1196D1020-L1022 PolarHBondContact O-N 3.11Å; L1022-H1024 VanDerWaalsContact C-N 3.3Å; L1022-H1024 PolarHBondContact O-N 2.91Å; L1022-A1025 PolarHBondContact O-N 2.98Å; L1022-A1025 VanDerWaalsContact O-N 3.15Å; L1022-L1026 HydrophobicContact CD1-CD1 3.76Å; L1022-L1026 HydrophobicContact CD1-CG 4.11Å; L1022-L1026 HydrophobicContact CG-CD1 4.05Å; L1022-L1026 PolarHBondContact O-N 3.4Å; L1022-F1098 HydrophobicContact CD1-CD1 4.26Å; L1022-F1098 HydrophobicContact CD1-CE1 4.07Å; L1022-F1098 HydrophobicContact CD2-CD1 4.21Å; L1022-F1098 HydrophobicContact CD2-CE1 4.17Å; L1022-F1099 HydrophobicContact CD2-CE1 4.19Å; L1022-F1099 HydrophobicContact CD2-CZ 4.2Å; L1022-T1175 HydrophobicContact CD2-CG2 3.62Å; L1022-L1196 HydrophobicContact CD1-CD1 3.95Å; L1022-L1196 HydrophobicContact CD1-CD2 3.86Å
1023S91.1Very high88.9Confident6 Ų649.5 Ų49.54%0.04224%0.237CC..Hα-helixtrans-56.9-43.3174.7-63.20000111.6D1020 K1027 L1028D1020-S1023 PolarHBondContact O-N 3.32Å; D1020-S1023 VanDerWaalsContact OD2-CB 3.24Å; D1020-S1023 WeakPolarHBondContact OD2-CB 3.48Å; D1020-S1023 PolarHBondContact OD2-N 3.11Å; D1020-S1023 PolarHBondContact OD2-OG 3.47Å; S1023-K1027 PolarHBondContact O-N 3.02Å; S1023-L1028 PolarHBondContact O-N 3.16Å
1024H90.6Very high89Confident83 Ų8351.6 Ų51.638%0.38425%0.25SC..Hα-helixtrans-64.9-44.7174-71-66.2000113I1017 D1020 R1021 L1022 L1026 K1027 Y1211I1017-H1024 PolarHBondContact O-CE1 3.23Å; I1017-H1024 PolarHBondContact O-NE2 3.17Å; I1017-H1024 VanDerWaalsContact O-NE2 3.1Å; D1020-H1024 PolarHBondContact O-CD2 3.16Å; D1020-H1024 PolarHBondContact O-N 3.39Å; D1020-H1024 VanDerWaalsContact O-N 3.15Å; R1021-H1024 PolarHBondContact O-N 2.8Å; L1022-H1024 VanDerWaalsContact C-N 3.3Å; L1022-H1024 PolarHBondContact O-N 2.91Å; H1024-L1026 VanDerWaalsContact C-N 3.28Å; H1024-L1026 PolarHBondContact O-N 2.86Å; H1024-K1027 PolarHBondContact O-N 2.76Å; H1024-Y1211 HydrophobicContact CB-CE1 4.17Å
1025A90.9Very high89.3Confident15 Ų1553.1 Ų53.112%0.12426%0.256CS..Hα-helixtrans-61.4-37.9-179.700000112.3R1021 L1022 L1196 L1207 Y1211 I1214R1021-A1025 WeakPolarHBondContact O-CB 3.5Å; R1021-A1025 PolarHBondContact O-N 2.96Å; L1022-A1025 PolarHBondContact O-N 2.98Å; L1022-A1025 VanDerWaalsContact O-N 3.15Å; A1025-L1196 HydrophobicContact CB-CD2 3.83Å; A1025-L1207 HydrophobicContact CB-CD1 4.18Å; A1025-Y1211 HydrophobicContact CB-CD1 4.05Å; A1025-Y1211 HydrophobicContact CB-CD2 3.81Å; A1025-Y1211 HydrophobicContact CB-CE2 4.41Å; A1025-Y1211 HydrophobicContact CB-CG 3.62Å; A1025-I1214 HydrophobicContact CB-CD1 3.74Å
1026L90.7Very high89.6Confident17 Ų1752.9 Ų52.99%0.08925%0.254CS..THydrogen-bonded Turntrans-93.54.3179.9-59.2-179.6000113.5L1022 H1024 L1028 L1094 V1095 M1200L1022-L1026 HydrophobicContact CD1-CD1 3.76Å; L1022-L1026 HydrophobicContact CD1-CG 4.11Å; L1022-L1026 HydrophobicContact CG-CD1 4.05Å; L1022-L1026 PolarHBondContact O-N 3.4Å; H1024-L1026 VanDerWaalsContact C-N 3.28Å; H1024-L1026 PolarHBondContact O-N 2.86Å; L1026-L1028 VanDerWaalsContact C-N 3.25Å; L1026-L1028 HydrophobicContact CB-CD2 4.32Å; L1026-L1028 HydrophobicContact CB-CG 4.2Å; L1026-L1028 PolarHBondContact O-N 2.88Å; L1026-L1094 HydrophobicContact CD2-CD2 3.9Å; L1026-V1095 HydrophobicContact CD1-CG2 3.57Å; L1026-M1200 HydrophobicContact CD2-CE 4.36Å; L1026-M1200 HydrophobicContact CD2-SD 4.05Å
1027K90.7Very high89.7Confident160 Ų16051.4 Ų51.470%0.69625%0.247SC*.THydrogen-bonded Turntrans52.241.1-179.6-56.5-179.2179.9178.90112.9S1023 H1024 D1029 K1091S1023-K1027 PolarHBondContact O-N 3.02Å; H1024-K1027 PolarHBondContact O-N 2.76Å; K1027-D1029 PolarHBondContact O-N 2.97Å; K1027-K1091 WeakPolarHBondContact O-CD 3.24Å; K1027-K1091 WeakPolarHBondContact O-CE 3.45Å; K1027-K1091 PolarHBondContact O-NZ 2.96Å
1028L91.7Very high90.1Very high24 Ų2450.9 Ų50.913%0.12624%0.243CC..  trans-67.9127.9173.5-56.7-177000109S1023 L1026 D1032 L1033 K1091 V1095S1023-L1028 PolarHBondContact O-N 3.16Å; L1026-L1028 VanDerWaalsContact C-N 3.25Å; L1026-L1028 HydrophobicContact CB-CD2 4.32Å; L1026-L1028 HydrophobicContact CB-CG 4.2Å; L1026-L1028 PolarHBondContact O-N 2.88Å; L1028-D1032 HydrophobicContact CB-CB 4.27Å; L1028-D1032 HydrophobicContact CD2-CB 4.27Å; L1028-L1033 HydrophobicContact CB-CD2 4.4Å; L1028-L1033 HydrophobicContact CB-CG 4.24Å; L1028-L1033 HydrophobicContact CD1-CD2 4.08Å; L1028-K1091 HydrophobicContact CD2-CB 3.66Å; L1028-K1091 HydrophobicContact CD2-CD 4.12Å; L1028-V1095 HydrophobicContact CD1-CG2 4.01Å; L1028-V1095 HydrophobicContact CD2-CG2 4.23Å
1029D91.9Very high90.8Very high68 Ų6847.1 Ų47.136%0.36423%0.228SC..  trans-96.6179.8175.96353.1000111.8K1027 T1031 D1032 L1033 K1091K1027-D1029 PolarHBondContact O-N 2.97Å; D1029-T1031 PolarHBondContact O-N 2.9Å; D1029-T1031 VanDerWaalsContact OD1-CA 3.31Å; D1029-T1031 WeakPolarHBondContact OD1-CA 3.22Å; D1029-T1031 WeakPolarHBondContact OD1-CB 3.32Å; D1029-T1031 PolarHBondContact OD1-N 3.29Å; D1029-T1031 PolarHBondContact OD1-OG1 3.16Å; D1029-D1032 VanDerWaalsContact CG-OD2 3.25Å; D1029-D1032 PolarHBondContact N-OD2 2.95Å; D1029-D1032 PolarHBondContact O-N 3.49Å; D1029-D1032 PolarHBondContact OD1-N 3.01Å; D1029-L1033 PolarHBondContact O-N 3.43Å; D1029-L1033 VanDerWaalsContact O-N 3.09Å; D1029-K1091 IonicContact OD2-NZ 3.67Å; D1029-K1091 PolarHBondContact OD2-NZ 3.18Å; D1029-K1091 VanDerWaalsContact OD2-NZ 3.16Å
1030R93.4Very high91.6Very high101 Ų10142.4 Ų42.438%0.38121%0.207SC..Hα-helixtrans-57.7-34.3179.8-156.8-172.4175.781.42.3112D1010 V1013 N1014 I1017 T1034D1010-R1030 IonicContact OD1-CZ 2.64Å; D1010-R1030 IonicContact OD1-NH2 2.69Å; D1010-R1030 PolarHBondContact OD1-NH2 3.2Å; V1013-R1030 HydrophobicContact CG1-CB 4.38Å; V1013-R1030 HydrophobicContact CG1-CG 3.32Å; N1014-R1030 PolarHBondContact OD1-NH1 3.35Å; N1014-R1030 PolarHBondContact OD1-NH2 2.88Å; I1017-R1030 HydrophobicContact CD1-CB 3.8Å; I1017-R1030 HydrophobicContact CD1-CG 3.81Å; R1030-T1034 VanDerWaalsContact O-CB 3.26Å; R1030-T1034 WeakPolarHBondContact O-CB 3.36Å; R1030-T1034 PolarHBondContact O-N 3.35Å; R1030-T1034 PolarHBondContact O-OG1 3.39Å
1031T93Very high91.7Very high101 Ų10141.9 Ų41.962%0.6220%0.204SC*.Hα-helixtrans-69.8-50.4-179.6-31.40000110D1029 L1033 T1034 E1035D1029-T1031 PolarHBondContact O-N 2.9Å; D1029-T1031 VanDerWaalsContact OD1-CA 3.31Å; D1029-T1031 WeakPolarHBondContact OD1-CA 3.22Å; D1029-T1031 WeakPolarHBondContact OD1-CB 3.32Å; D1029-T1031 PolarHBondContact OD1-N 3.29Å; D1029-T1031 PolarHBondContact OD1-OG1 3.16Å; T1031-L1033 VanDerWaalsContact C-N 3.33Å; T1031-L1033 PolarHBondContact O-N 3.34Å; T1031-T1034 PolarHBondContact O-N 3.1Å; T1031-E1035 WeakPolarHBondContact O-CB 3.5Å; T1031-E1035 PolarHBondContact O-N 3.17Å
1032D93.8Very high91.7Very high9 Ų941.8 Ų41.85%0.04821%0.21CC..Hα-helixtrans-56-47177.9-65.1-61.5000111.5L1028 D1029 E1035 A1036 T1089 K1091L1028-D1032 HydrophobicContact CB-CB 4.27Å; L1028-D1032 HydrophobicContact CD2-CB 4.27Å; D1029-D1032 VanDerWaalsContact CG-OD2 3.25Å; D1029-D1032 PolarHBondContact N-OD2 2.95Å; D1029-D1032 PolarHBondContact O-N 3.49Å; D1029-D1032 PolarHBondContact OD1-N 3.01Å; D1032-E1035 PolarHBondContact O-N 3.48Å; D1032-A1036 PolarHBondContact O-N 2.95Å; D1032-T1089 PolarHBondContact OD1-OG1 2.86Å; D1032-K1091 WeakPolarHBondContact OD2-CD 3.3Å; D1032-K1091 IonicContact OD2-NZ 3.64Å; D1032-K1091 PolarHBondContact OD2-NZ 2.91Å
1033L93.9Very high91.4Very high4 Ų442.1 Ų42.12%0.02122%0.215CC..Hα-helixtrans-68-42.1-179.4-70.6169000112.3V1013 F1016 I1017 L1028 D1029 T1031 E1035 A1036 I1037V1013-L1033 HydrophobicContact CG2-CB 4.17Å; F1016-L1033 HydrophobicContact CB-CD1 3.88Å; F1016-L1033 HydrophobicContact CB-CD2 4.06Å; F1016-L1033 HydrophobicContact CG-CD2 4.45Å; I1017-L1033 HydrophobicContact CD1-CD1 4.28Å; I1017-L1033 HydrophobicContact CG1-CD1 3.5Å; I1017-L1033 VanDerWaalsContact CG1-CD1 3.5Å; L1028-L1033 HydrophobicContact CB-CD2 4.4Å; L1028-L1033 HydrophobicContact CB-CG 4.24Å; L1028-L1033 HydrophobicContact CD1-CD2 4.08Å; D1029-L1033 PolarHBondContact O-N 3.43Å; D1029-L1033 VanDerWaalsContact O-N 3.09Å; T1031-L1033 VanDerWaalsContact C-N 3.33Å; T1031-L1033 PolarHBondContact O-N 3.34Å; L1033-E1035 VanDerWaalsContact C-N 3.29Å; L1033-E1035 PolarHBondContact O-N 2.69Å; L1033-A1036 PolarHBondContact O-N 3.02Å; L1033-I1037 VanDerWaalsContact O-CD1 3.29Å; L1033-I1037 WeakPolarHBondContact O-CD1 3.37Å; L1033-I1037 VanDerWaalsContact O-CG1 3.26Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.38Å; L1033-I1037 PolarHBondContact O-N 2.99Å
1034T94.6Very high90.7Very high44 Ų4442 Ų4227%0.2721%0.213SC..Hα-helixtrans-58.4-46176.1-61.80000110.4V1009 R1030 T1031 I1037 E1038V1009-T1034 HydrophobicContact CG1-CG2 3.91Å; R1030-T1034 VanDerWaalsContact O-CB 3.26Å; R1030-T1034 WeakPolarHBondContact O-CB 3.36Å; R1030-T1034 PolarHBondContact O-N 3.35Å; R1030-T1034 PolarHBondContact O-OG1 3.39Å; T1031-T1034 PolarHBondContact O-N 3.1Å; T1034-I1037 PolarHBondContact O-N 3.37Å; T1034-E1038 HydrophobicContact CG2-CG 4.32Å; T1034-E1038 WeakPolarHBondContact O-CB 3.42Å; T1034-E1038 VanDerWaalsContact O-CG 3.29Å; T1034-E1038 WeakPolarHBondContact O-CG 3.24Å; T1034-E1038 PolarHBondContact O-N 3.11Å
1035E93.1Very high89.8Confident65 Ų6546.3 Ų46.330%0.30423%0.231SC..Hα-helixtrans-63.5-43.1179.8-173.5163.7-15300111.8T1031 D1032 L1033 I1037 E1038 V1039 L1088 T1089 L1092T1031-E1035 WeakPolarHBondContact O-CB 3.5Å; T1031-E1035 PolarHBondContact O-N 3.17Å; D1032-E1035 PolarHBondContact O-N 3.48Å; L1033-E1035 VanDerWaalsContact C-N 3.29Å; L1033-E1035 PolarHBondContact O-N 2.69Å; E1035-I1037 PolarHBondContact O-N 3.47Å; E1035-E1038 PolarHBondContact O-N 3.42Å; E1035-V1039 VanDerWaalsContact O-CG2 3.3Å; E1035-V1039 WeakPolarHBondContact O-CG2 3.41Å; E1035-V1039 PolarHBondContact O-N 3.27Å; E1035-L1088 HydrophobicContact CG-CB 4.06Å; E1035-L1088 HydrophobicContact CG-CD1 3.45Å; E1035-L1088 VanDerWaalsContact CG-CD1 3.45Å; E1035-L1088 HydrophobicContact CG-CG 4.34Å; E1035-L1088 WeakPolarHBondContact OE1-CB 3.08Å; E1035-T1089 WeakPolarHBondContact OE2-CG2 3.32Å; E1035-L1092 HydrophobicContact CB-CD1 4.39Å; E1035-L1092 HydrophobicContact CG-CD1 4.38Å
1036A93.2Very high88.8Confident3 Ų349.6 Ų49.63%0.02525%0.253CS..Hα-helixtrans-62-43.4175.100000113.3D1032 L1033 V1039 F1040 L1086 L1092 M1121D1032-A1036 PolarHBondContact O-N 2.95Å; L1033-A1036 PolarHBondContact O-N 3.02Å; A1036-V1039 WeakPolarHBondContact O-CB 3.29Å; A1036-V1039 PolarHBondContact O-N 2.92Å; A1036-F1040 VanDerWaalsContact O-CD2 3.27Å; A1036-F1040 WeakPolarHBondContact O-CD2 3.49Å; A1036-F1040 PolarHBondContact O-N 3.31Å; A1036-L1086 HydrophobicContact CB-CD1 4.33Å; A1036-L1086 HydrophobicContact CB-CD2 3.7Å; A1036-L1092 HydrophobicContact CB-CD1 4.24Å; A1036-L1092 HydrophobicContact CB-CD2 3.87Å; A1036-M1121 HydrophobicContact CB-CE 4.2Å
1037I93.4Very high88Confident0 Ų051.2 Ų51.20%026%0.262CS..Hα-helixtrans-66.6-43.8178.9-65.6155.1000110.7V1009 L1012 V1013 L1033 T1034 E1035 V1039 F1040 L1041 I1076 M1121V1009-I1037 HydrophobicContact CG2-CG2 3.88Å; L1012-I1037 HydrophobicContact CB-CD1 3.51Å; L1012-I1037 HydrophobicContact CB-CG1 4.17Å; L1012-I1037 HydrophobicContact CD1-CD1 4.38Å; L1012-I1037 HydrophobicContact CD1-CG1 4.2Å; L1012-I1037 HydrophobicContact CD1-CG2 3.84Å; V1013-I1037 HydrophobicContact CB-CD1 4.43Å; V1013-I1037 HydrophobicContact CG2-CD1 3.45Å; V1013-I1037 VanDerWaalsContact CG2-CD1 3.45Å; L1033-I1037 VanDerWaalsContact O-CD1 3.29Å; L1033-I1037 WeakPolarHBondContact O-CD1 3.37Å; L1033-I1037 VanDerWaalsContact O-CG1 3.26Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.38Å; L1033-I1037 PolarHBondContact O-N 2.99Å; T1034-I1037 PolarHBondContact O-N 3.37Å; E1035-I1037 PolarHBondContact O-N 3.47Å; I1037-V1039 VanDerWaalsContact C-N 3.27Å; I1037-V1039 PolarHBondContact O-N 3.46Å; I1037-F1040 PolarHBondContact O-N 3.32Å; I1037-F1040 VanDerWaalsContact O-N 3.15Å; I1037-L1041 HydrophobicContact CG2-CD1 3.76Å; I1037-L1041 HydrophobicContact CG2-CG 4.11Å; I1037-L1041 WeakPolarHBondContact O-CG 3.42Å; I1037-L1041 PolarHBondContact O-N 3.08Å; I1037-I1076 HydrophobicContact CG2-CD1 4.47Å; I1037-M1121 HydrophobicContact CB-SD 4.45Å; I1037-M1121 HydrophobicContact CD1-SD 4.39Å; I1037-M1121 HydrophobicContact CG1-CE 3.96Å; I1037-M1121 HydrophobicContact CG1-SD 3.4Å; I1037-M1121 WeakPolarHBondContact CG1-SD 3.21Å
1038E92Very high87.1Confident48 Ų4847.1 Ų47.122%0.22425%0.251CS..Hα-helixtrans-60.4-37.5178.4-79.3-68.6167.800111.9R1005 V1009 T1034 E1035 L1041 N1042R1005-E1038 IonicContact CZ-OE2 2.87Å; R1005-E1038 IonicContact NE-OE1 3.31Å; R1005-E1038 PolarHBondContact NE-OE1 3.35Å; R1005-E1038 IonicContact NE-OE2 2.73Å; R1005-E1038 PolarHBondContact NE-OE2 2.84Å; R1005-E1038 IonicContact NH2-OE2 3.32Å; R1005-E1038 PolarHBondContact NH2-OE2 3.5Å; V1009-E1038 HydrophobicContact CG2-CG 4.48Å; T1034-E1038 HydrophobicContact CG2-CG 4.32Å; T1034-E1038 WeakPolarHBondContact O-CB 3.42Å; T1034-E1038 VanDerWaalsContact O-CG 3.29Å; T1034-E1038 WeakPolarHBondContact O-CG 3.24Å; T1034-E1038 PolarHBondContact O-N 3.11Å; E1035-E1038 PolarHBondContact O-N 3.42Å; E1038-L1041 PolarHBondContact O-N 3.26Å; E1038-N1042 VanDerWaalsContact O-CB 3.23Å; E1038-N1042 WeakPolarHBondContact O-CB 3.25Å; E1038-N1042 PolarHBondContact O-N 3.49Å; E1038-N1042 PolarHBondContact O-ND2 3.04Å
1039V91.6Very high86.8Confident27 Ų2746 Ų4616%0.16425%0.245CC..Hα-helixtrans-58.4-49.6172.5166.10000111.7E1035 A1036 I1037 N1042 A1043 P1084 L1086 L1088E1035-V1039 VanDerWaalsContact O-CG2 3.3Å; E1035-V1039 WeakPolarHBondContact O-CG2 3.41Å; E1035-V1039 PolarHBondContact O-N 3.27Å; A1036-V1039 WeakPolarHBondContact O-CB 3.29Å; A1036-V1039 PolarHBondContact O-N 2.92Å; I1037-V1039 VanDerWaalsContact C-N 3.27Å; I1037-V1039 PolarHBondContact O-N 3.46Å; V1039-N1042 PolarHBondContact O-N 3.49Å; V1039-A1043 PolarHBondContact O-N 3.49Å; V1039-P1084 HydrophobicContact CG1-CB 3.69Å; V1039-P1084 HydrophobicContact CG1-CG 3.31Å; V1039-L1086 HydrophobicContact CB-CD2 4.28Å; V1039-L1086 HydrophobicContact CG1-CD2 4.2Å; V1039-L1088 HydrophobicContact CG2-CD1 3.2Å
1040F90.9Very high86.7Confident7 Ų742.7 Ų42.73%0.03123%0.228CC..Hα-helixtrans-67.3-41.1-179.6-63.4-43.6000112.6A1036 I1037 N1042 A1043 H1044 I1076 L1078 V1083 P1084 L1086 Q1120 M1121A1036-F1040 VanDerWaalsContact O-CD2 3.27Å; A1036-F1040 WeakPolarHBondContact O-CD2 3.49Å; A1036-F1040 PolarHBondContact O-N 3.31Å; I1037-F1040 PolarHBondContact O-N 3.32Å; I1037-F1040 VanDerWaalsContact O-N 3.15Å; F1040-N1042 VanDerWaalsContact C-N 3.32Å; F1040-N1042 PolarHBondContact O-N 3.16Å; F1040-A1043 PolarHBondContact O-N 2.78Å; F1040-H1044 PolarHBondContact O-N 2.93Å; F1040-I1076 HydrophobicContact CB-CG2 4.3Å; F1040-L1078 HydrophobicContact CB-CD1 4.12Å; F1040-L1078 HydrophobicContact CD1-CD1 3.95Å; F1040-L1078 HydrophobicContact CG-CD1 4.44Å; F1040-V1083 HydrophobicContact CE1-CG1 4.13Å; F1040-P1084 HydrophobicContact CD1-CG 3.91Å; F1040-P1084 HydrophobicContact CE1-CG 4.25Å; F1040-L1086 HydrophobicContact CE1-CG 4.39Å; F1040-L1086 HydrophobicContact CE2-CD1 4.06Å; F1040-L1086 HydrophobicContact CE2-CD2 4.49Å; F1040-L1086 HydrophobicContact CZ-CD1 3.6Å; F1040-L1086 HydrophobicContact CZ-CD2 4.17Å; F1040-L1086 HydrophobicContact CZ-CG 3.93Å; F1040-Q1120 HydrophobicContact CD1-CB 4.33Å; F1040-Q1120 HydrophobicContact CD1-CG 3.98Å; F1040-Q1120 HydrophobicContact CD2-CB 3.95Å; F1040-Q1120 HydrophobicContact CD2-CG 4.49Å; F1040-Q1120 HydrophobicContact CE1-CB 4.33Å; F1040-Q1120 HydrophobicContact CE1-CG 4.02Å; F1040-Q1120 HydrophobicContact CE2-CB 3.93Å; F1040-Q1120 HydrophobicContact CE2-CG 4.49Å; F1040-Q1120 HydrophobicContact CG-CB 4.15Å; F1040-Q1120 HydrophobicContact CG-CG 4.23Å; F1040-Q1120 HydrophobicContact CZ-CB 4.12Å; F1040-Q1120 HydrophobicContact CZ-CG 4.26Å; F1040-M1121 HydrophobicContact CD2-CE 4.34Å; F1040-M1121 HydrophobicContact CD2-CG 4.39Å; F1040-M1121 HydrophobicContact CD2-SD 4.15Å; F1040-M1121 HydrophobicContact CE2-CE 4.05Å; F1040-M1121 HydrophobicContact CE2-CG 4.37Å; F1040-M1121 HydrophobicContact CE2-SD 4.36Å
1041L87.9Confident86.6Confident1 Ų137.9 Ų37.91%0.00521%0.21CC..Hα-helixtrans-67.5-31176.1-67.4177.3000112.7W995 R1005 I1008 V1009 I1037 E1038 I1076W995-L1041 HydrophobicContact CE3-CD2 4.38Å; W995-L1041 HydrophobicContact CH2-CD2 4.09Å; W995-L1041 HydrophobicContact CZ3-CD2 3.67Å; R1005-L1041 HydrophobicContact CG-CD1 4.1Å; I1008-L1041 HydrophobicContact CG2-CD1 4.06Å; I1008-L1041 HydrophobicContact CG2-CD2 4.22Å; V1009-L1041 HydrophobicContact CG2-CD1 3.81Å; I1037-L1041 HydrophobicContact CG2-CD1 3.76Å; I1037-L1041 HydrophobicContact CG2-CG 4.11Å; I1037-L1041 WeakPolarHBondContact O-CG 3.42Å; I1037-L1041 PolarHBondContact O-N 3.08Å; E1038-L1041 PolarHBondContact O-N 3.26Å; L1041-I1076 HydrophobicContact CD2-CD1 3.75Å; L1041-I1076 HydrophobicContact CD2-CG1 4.48Å; L1041-I1076 HydrophobicContact CG-CD1 4.23Å
1042N86.6Confident86.5Confident87 Ų8733.1 Ų33.147%0.46518%0.181SC..Hα-helixtrans-71.5-42.4173.3-79.1-33.9000112R1005 E1038 V1039 F1040 H1044 K1045R1005-N1042 PolarHBondContact NH2-OD1 3Å; E1038-N1042 VanDerWaalsContact O-CB 3.23Å; E1038-N1042 WeakPolarHBondContact O-CB 3.25Å; E1038-N1042 PolarHBondContact O-N 3.49Å; E1038-N1042 PolarHBondContact O-ND2 3.04Å; V1039-N1042 PolarHBondContact O-N 3.49Å; F1040-N1042 VanDerWaalsContact C-N 3.32Å; F1040-N1042 PolarHBondContact O-N 3.16Å; N1042-H1044 VanDerWaalsContact C-N 3.33Å; N1042-H1044 PolarHBondContact O-N 3.3Å; N1042-K1045 VanDerWaalsContact O-CB 3.31Å; N1042-K1045 WeakPolarHBondContact O-CB 3.14Å; N1042-K1045 PolarHBondContact O-N 2.95Å
1043A83.7Confident86.4Confident15 Ų1532.8 Ų32.812%0.12418%0.179CC..Hα-helixtrans-64.2-38.5177.700000112.5V1039 F1040 K1045 S1046 N1047 L1078 P1084V1039-A1043 PolarHBondContact O-N 3.49Å; F1040-A1043 PolarHBondContact O-N 2.78Å; A1043-K1045 PolarHBondContact O-N 2.96Å; A1043-S1046 PolarHBondContact O-N 3.08Å; A1043-S1046 VanDerWaalsContact O-N 3.11Å; A1043-S1046 PolarHBondContact O-OG 3.38Å; A1043-N1047 PolarHBondContact O-N 3.25Å; A1043-L1078 HydrophobicContact CB-CD1 4.12Å; A1043-P1084 HydrophobicContact CB-CB 4.44Å; A1043-P1084 HydrophobicContact CB-CG 3.69Å
1044H76.8Confident86.2Confident4 Ų432.6 Ų32.62%0.01918%0.178CC..Hα-helixtrans-51.9-40.1173.2-178.3-92000112.5F1040 N1042 S1046 N1047 G1049 L1078F1040-H1044 PolarHBondContact O-N 2.93Å; N1042-H1044 VanDerWaalsContact C-N 3.33Å; N1042-H1044 PolarHBondContact O-N 3.3Å; H1044-S1046 VanDerWaalsContact C-N 3.26Å; H1044-S1046 PolarHBondContact O-N 3.36Å; H1044-N1047 CarbonylContact O-C 3.03Å; H1044-N1047 PolarHBondContact O-N 2.9Å; H1044-G1049 PolarHBondContact CD2-N 3.38Å; H1044-G1049 VanDerWaalsContact NE2-C 3.3Å; H1044-G1049 PolarHBondContact NE2-N 2.77Å; H1044-G1049 PolarHBondContact NE2-O 3.31Å; H1044-L1078 HydrophobicContact CB-CD2 3.65Å
1045K72.1Confident85.7Confident172 Ų17231.2 Ų31.275%0.74817%0.168SC*.Hα-helixtrans-61.6-34.7-179-168.4-178.9179.6-178.30113N1042 A1043N1042-K1045 VanDerWaalsContact O-CB 3.31Å; N1042-K1045 WeakPolarHBondContact O-CB 3.14Å; N1042-K1045 PolarHBondContact O-N 2.95Å; A1043-K1045 PolarHBondContact O-N 2.96Å
1046S70.8Confident84.9Confident85 Ų8528.9 Ų28.959%0.59416%0.156SC*.Hα-helixtrans-87.4-27.3179.931.30000113.5A1043 H1044A1043-S1046 PolarHBondContact O-N 3.08Å; A1043-S1046 VanDerWaalsContact O-N 3.11Å; A1043-S1046 PolarHBondContact O-OG 3.38Å; H1044-S1046 VanDerWaalsContact C-N 3.26Å; H1044-S1046 PolarHBondContact O-N 3.36Å
1047N72.6Confident83.8Confident50 Ų5030.7 Ų30.727%0.26716%0.163SC..SBendtrans-137.8100.6179.4-73.5-57.6000108.3A1043 H1044 G1049 P1079 H1082A1043-N1047 PolarHBondContact O-N 3.25Å; H1044-N1047 CarbonylContact O-C 3.03Å; H1044-N1047 PolarHBondContact O-N 2.9Å; N1047-G1049 PolarHBondContact O-N 2.79Å; N1047-P1079 HydrophobicContact CB-CG 4.31Å; N1047-H1082 HydrophobicContact CB-CB 3.92Å; N1047-H1082 VanDerWaalsContact CG-CG 3.45Å; N1047-H1082 WeakPolarHBondContact ND2-CB 3.28Å; N1047-H1082 PolarHBondContact ND2-CD2 3.33Å
1048P72.4Confident82.4Confident74 Ų7432.6 Ų32.648%0.48117%0.17SC..  trans-63.9100.8-169.625.2-32.7000109.7D997D997-P1048 WeakPolarHBondContact OD1-CB 3.45Å
1049G85.3Confident80.9Confident0 Ų033.1 Ų33.10%017%0.173CC..  trans-85.2-161.2165.800000110.6H1044 N1047 S1077H1044-G1049 PolarHBondContact CD2-N 3.38Å; H1044-G1049 VanDerWaalsContact NE2-C 3.3Å; H1044-G1049 PolarHBondContact NE2-N 2.77Å; H1044-G1049 PolarHBondContact NE2-O 3.31Å; N1047-G1049 PolarHBondContact O-N 2.79Å; G1049-S1077 CarbonylContact C-O 3.52Å; G1049-S1077 VanDerWaalsContact CA-O 3.32Å; G1049-S1077 WeakPolarHBondContact CA-O 3.38Å
1050I89.9Confident79.2Confident0 Ų033.1 Ų33.10%017%0.172CC..EExtended strand (participates in β ladder)trans-115.3118.5177.6-55.4173000108.4L1052 S1077 L1117 L1158 I1161 A1162I1050-L1052 HydrophobicContact CG2-CD2 3.59Å; I1050-L1052 HydrophobicContact CG2-CG 3.87Å; I1050-S1077 PolarHBondContact N-O 3.18Å; I1050-S1077 PolarHBondContact O-N 2.75Å; I1050-L1117 HydrophobicContact CB-CD2 4.31Å; I1050-L1117 HydrophobicContact CD1-CD2 3.67Å; I1050-L1117 HydrophobicContact CG1-CD2 4.1Å; I1050-L1158 HydrophobicContact CB-CD1 3.66Å; I1050-L1158 HydrophobicContact CD1-CD1 3.96Å; I1050-L1158 HydrophobicContact CG1-CD1 4.4Å; I1050-L1158 HydrophobicContact CG2-CD1 3.68Å; I1050-I1161 HydrophobicContact CD1-CB 3.96Å; I1050-I1161 HydrophobicContact CD1-CG2 3.58Å; I1050-I1161 HydrophobicContact CG1-CG2 4.09Å; I1050-I1161 HydrophobicContact CG2-CG2 4.23Å; I1050-A1162 HydrophobicContact CD1-CB 3.92Å
1051V90.8Very high77.3Confident0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-115.2118.5168.4178.10000107.5Q994 W995 V1074 I1075 I1076Q994-V1051 WeakPolarHBondContact CA-O 3.29Å; W995-V1051 HydrophobicContact CB-CB 3.95Å; W995-V1051 HydrophobicContact CB-CG1 3.87Å; W995-V1051 HydrophobicContact CD2-CG1 4.33Å; W995-V1051 HydrophobicContact CE3-CB 3.91Å; W995-V1051 HydrophobicContact CE3-CG1 3.89Å; W995-V1051 HydrophobicContact CE3-CG2 4.04Å; W995-V1051 HydrophobicContact CG-CG1 4.38Å; W995-V1051 PolarHBondContact N-O 3.15Å; V1051-V1074 HydrophobicContact CG1-CG1 4.28Å; V1051-I1075 CarbonylContact C-O 3.59Å; V1051-I1075 VanDerWaalsContact CA-O 3.29Å; V1051-I1075 WeakPolarHBondContact CA-O 3.48Å; V1051-I1076 HydrophobicContact CG1-CG1 4.21Å; V1051-I1076 HydrophobicContact CG2-CB 4.44Å; V1051-I1076 HydrophobicContact CG2-CG1 4.25Å; V1051-I1076 HydrophobicContact CG2-CG2 4.12Å
1052L91.8Very high75.5Confident1 Ų144.2 Ų44.21%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-109135.8174.4-44.3175.9000110.3I992 E993 Q994 I1050 V1074 I1075 L1154 D1157 L1158 I1161I992-L1052 HydrophobicContact CG2-CB 3.99Å; I992-L1052 HydrophobicContact CG2-CD1 4.33Å; E993-L1052 CarbonylContact O-C 3.49Å; E993-L1052 WeakPolarHBondContact O-CA 3.09Å; Q994-L1052 HydrophobicContact CB-CD2 3.8Å; Q994-L1052 HydrophobicContact CG-CD2 4.06Å; I1050-L1052 HydrophobicContact CG2-CD2 3.59Å; I1050-L1052 HydrophobicContact CG2-CG 3.87Å; L1052-V1074 CarbonylContact O-C 3.6Å; L1052-V1074 VanDerWaalsContact O-CA 3.31Å; L1052-V1074 WeakPolarHBondContact O-CA 3.47Å; L1052-I1075 HydrophobicContact CB-CG2 3.6Å; L1052-I1075 HydrophobicContact CD1-CG2 4.04Å; L1052-I1075 HydrophobicContact CG-CG2 3.85Å; L1052-I1075 PolarHBondContact N-O 2.78Å; L1052-I1075 PolarHBondContact O-N 3.48Å; L1052-L1154 HydrophobicContact CB-CD2 3.87Å; L1052-D1157 HydrophobicContact CD1-CB 3.82Å; L1052-L1158 HydrophobicContact CD1-CB 4.15Å; L1052-I1161 HydrophobicContact CD1-CD1 4.17Å; L1052-I1161 HydrophobicContact CD2-CD1 3.5Å; L1052-I1161 VanDerWaalsContact CD2-CD1 3.5Å; L1052-I1161 HydrophobicContact CG-CD1 4.47Å
1053T90.7Very high74.1Confident2 Ų245.8 Ų45.81%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-115.7126.6178.653.40000109.7I992 E993 W995 I1008 L1071 G1073I992-T1053 WeakPolarHBondContact CA-O 3.25Å; E993-T1053 PolarHBondContact N-O 2.75Å; E993-T1053 PolarHBondContact O-N 2.81Å; E993-T1053 PolarHBondContact O-OG1 3.43Å; W995-T1053 HydrophobicContact CB-CG2 4.39Å; I1008-T1053 HydrophobicContact CD1-CG2 3.95Å; I1008-T1053 HydrophobicContact CG1-CG2 4.05Å; T1053-L1071 VanDerWaalsContact CB-CD1 3.44Å; T1053-L1071 HydrophobicContact CG2-CD1 3.79Å; T1053-G1073 CarbonylContact C-O 3.14Å
1054A89.3Confident72.7Confident0 Ų050.7 Ų50.70%025%0.245CC..EExtended strand (participates in β ladder)trans-96.7120.7171.400000109.5I990 F991 I992 V1072 G1073 L1150 L1154I990-A1054 HydrophobicContact CG2-CB 4.08Å; F991-A1054 CarbonylContact O-C 3.58Å; F991-A1054 WeakPolarHBondContact O-CA 3.45Å; I992-A1054 HydrophobicContact CG1-CB 4.02Å; A1054-V1072 HydrophobicContact CB-CG2 4.25Å; A1054-V1072 WeakPolarHBondContact O-CG2 3.47Å; A1054-V1072 PolarHBondContact O-N 2.84Å; A1054-G1073 PolarHBondContact N-O 2.81Å; A1054-G1073 PolarHBondContact O-N 2.87Å; A1054-G1073 VanDerWaalsContact O-N 3.16Å; A1054-L1150 HydrophobicContact CB-CD2 3.96Å; A1054-L1154 HydrophobicContact CB-CD1 4.44Å; A1054-L1154 HydrophobicContact CB-CD2 4.28Å
1055R85.6Confident71.3Confident15 Ų1553.6 Ų53.66%0.05726%0.263CS..EExtended strand (participates in β ladder)trans-127.4132.6-168.8-86.5172.8150.2179.1-0.7111.9I990 F991 E993 E1004 E1007 Y1057 N1069 K1070 L1071I990-R1055 CarbonylContact C-O 3.58Å; I990-R1055 VanDerWaalsContact CA-O 3.29Å; I990-R1055 WeakPolarHBondContact CA-O 3.22Å; I990-R1055 WeakPolarHBondContact CG2-O 3.25Å; F991-R1055 PolarHBondContact N-O 2.92Å; F991-R1055 PolarHBondContact O-N 3.43Å; E993-R1055 IonicContact OE2-NH1 3.91Å; E1004-R1055 IonicContact OE1-CZ 2.87Å; E1004-R1055 VanDerWaalsContact OE1-CZ 3.26Å; E1004-R1055 IonicContact OE1-NH1 3.39Å; E1004-R1055 PolarHBondContact OE1-NH1 2.93Å; E1004-R1055 IonicContact OE1-NH2 2.76Å; E1004-R1055 PolarHBondContact OE1-NH2 3.12Å; E1007-R1055 IonicContact OE2-NH2 2.74Å; E1007-R1055 PolarHBondContact OE2-NH2 3.07Å; R1055-Y1057 HydrophobicContact CB-CD2 4.24Å; R1055-Y1057 HydrophobicContact CB-CE2 3.65Å; R1055-Y1057 WeakPolarHBondContact O-CD2 3.2Å; R1055-N1069 WeakPolarHBondContact CB-OD1 3.3Å; R1055-N1069 WeakPolarHBondContact CD-ND2 3.16Å; R1055-N1069 WeakPolarHBondContact CD-OD1 3.41Å; R1055-N1069 WeakPolarHBondContact CG-OD1 3.27Å; R1055-N1069 PolarHBondContact NE-ND2 3.42Å; R1055-N1069 PolarHBondContact NE-OD1 3.05Å; R1055-N1069 PolarHBondContact NH1-ND2 3.43Å; R1055-K1070 WeakPolarHBondContact CA-O 3.44Å; R1055-L1071 HydrophobicContact CG-CB 4.36Å; R1055-L1071 HydrophobicContact CG-CD1 3.73Å
1056Y75.1Confident70.4Confident15 Ų1549.2 Ų49.26%0.05924%0.244CC..EExtended strand (participates in β ladder)trans-84125.5178.8-173.4-87.6000110.3L971 Y988 I990 N1069 K1070 M1139L971-Y1056 HydrophobicContact CD1-CD2 3.59Å; L971-Y1056 HydrophobicContact CD1-CE2 3.2Å; Y988-Y1056 HydrophobicContact CD1-CD1 4.45Å; Y988-Y1056 AromaticContact CD1-CE1 3.25Å; Y988-Y1056 HydrophobicContact CD1-CE1 3.25Å; Y988-Y1056 HydrophobicContact CD1-CE2 4.25Å; Y988-Y1056 AromaticContact CD1-CZ 3.13Å; Y988-Y1056 WeakPolarHBondContact CD1-OH 2.87Å; Y988-Y1056 AromaticContact CE1-CE1 3.68Å; Y988-Y1056 HydrophobicContact CE1-CE1 3.68Å; Y988-Y1056 AromaticContact CE1-CZ 3.7Å; Y988-Y1056 WeakPolarHBondContact CE1-OH 3.37Å; Y988-Y1056 HydrophobicContact CG-CE1 4.17Å; Y988-Y1056 HydrophobicContact CG-CE2 4.43Å; Y988-Y1056 AromaticContact CG-CZ 3.63Å; I990-Y1056 HydrophobicContact CG1-CD2 4.19Å; Y1056-N1069 VanDerWaalsContact O-CA 3.26Å; Y1056-N1069 WeakPolarHBondContact O-CA 3.45Å; Y1056-K1070 WeakPolarHBondContact CB-O 3.36Å; Y1056-K1070 PolarHBondContact N-O 2.68Å; Y1056-K1070 PolarHBondContact O-N 3.48Å; Y1056-M1139 HydrophobicContact CE2-CE 3.85Å
1057Y71.6Confident69.7Low41 Ų4148.2 Ų48.216%0.16123%0.234CC..EExtended strand (participates in β ladder)trans-120.9136.3174.7-68.7-98.3000109.7Y988 E989 F991 E993 R1055 F1066 K1068 N1069Y988-Y1057 WeakPolarHBondContact CA-O 3.24Å; E989-Y1057 PolarHBondContact N-O 3.11Å; E989-Y1057 PolarHBondContact O-N 2.82Å; F991-Y1057 HydrophobicContact CB-CD2 4.13Å; F991-Y1057 HydrophobicContact CB-CE2 3.86Å; F991-Y1057 AromaticContact CD2-CD2 3.24Å; F991-Y1057 HydrophobicContact CD2-CD2 3.24Å; F991-Y1057 AromaticContact CD2-CE2 3.78Å; F991-Y1057 HydrophobicContact CD2-CE2 3.78Å; F991-Y1057 AromaticContact CD2-CG 3.86Å; F991-Y1057 HydrophobicContact CD2-CG 3.86Å; F991-Y1057 AromaticContact CE2-CD2 3.91Å; F991-Y1057 HydrophobicContact CE2-CD2 3.91Å; F991-Y1057 HydrophobicContact CE2-CG 4.05Å; F991-Y1057 HydrophobicContact CG-CD2 4.01Å; F991-Y1057 HydrophobicContact CG-CE2 4.08Å; E993-Y1057 PolarHBondContact OE1-OH 3.33Å; R1055-Y1057 HydrophobicContact CB-CD2 4.24Å; R1055-Y1057 HydrophobicContact CB-CE2 3.65Å; R1055-Y1057 WeakPolarHBondContact O-CD2 3.2Å; Y1057-F1066 HydrophobicContact CD1-CB 3.98Å; Y1057-F1066 HydrophobicContact CD1-CG 4.45Å; Y1057-K1068 WeakPolarHBondContact CA-O 3.27Å; Y1057-N1069 HydrophobicContact CD1-CB 4.22Å; Y1057-N1069 HydrophobicContact CE1-CB 3.76Å; Y1057-N1069 PolarHBondContact OH-ND2 3.33Å; Y1057-N1069 VanDerWaalsContact OH-ND2 3.13Å
1058Y63.7Low68.9Low40 Ų4050.7 Ų50.716%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-114.7132.5170.581-91.9000110Y988 N1060 F1066 V1067 K1068Y988-Y1058 HydrophobicContact CE1-CG 4.29Å; Y1058-N1060 HydrophobicContact CE2-CB 4.16Å; Y1058-F1066 WeakPolarHBondContact O-CA 3.4Å; Y1058-V1067 HydrophobicContact CE1-CB 4.25Å; Y1058-V1067 HydrophobicContact CE2-CB 4.18Å; Y1058-V1067 PolarHBondContact O-N 2.83Å; Y1058-V1067 WeakPolarHBondContact OH-CB 3.37Å; Y1058-V1067 WeakPolarHBondContact OH-CG1 3.46Å; Y1058-K1068 HydrophobicContact CD1-CB 3.7Å; Y1058-K1068 HydrophobicContact CD1-CG 4.39Å; Y1058-K1068 HydrophobicContact CE1-CB 3.38Å; Y1058-K1068 HydrophobicContact CE1-CD 3.78Å; Y1058-K1068 HydrophobicContact CE1-CG 3.61Å
1059E58.8Low68.8Low59 Ų5949.7 Ų49.728%0.27623%0.234SC..EExtended strand (participates in β ladder)trans-78.3119.9172-162.6177.1173.900108.6S987 P1061 H1064 F1066S987-E1059 PolarHBondContact O-N 2.76Å; S987-E1059 WeakPolarHBondContact OG-CB 3.06Å; S987-E1059 PolarHBondContact OG-OE2 3.36Å; E1059-P1061 WeakPolarHBondContact O-CD 3.43Å; E1059-H1064 IonicContact OE1-CE1 3.26Å; E1059-H1064 IonicContact OE1-ND1 2.89Å; E1059-H1064 PolarHBondContact OE1-ND1 3.44Å; E1059-H1064 VanDerWaalsContact OE1-ND1 3.09Å; E1059-F1066 HydrophobicContact CB-CD1 4.28Å; E1059-F1066 HydrophobicContact CB-CE1 3.97Å; E1059-F1066 HydrophobicContact CB-CZ 4.47Å
1060N57.4Low68.4Low27 Ų2752.9 Ų52.914%0.14425%0.247CC..EExtended strand (participates in β ladder)trans-73.7114.6170-176.9-7.1000108Y1058 Y1062 E1063 H1064 T1065 V1067Y1058-N1060 HydrophobicContact CE2-CB 4.16Å; N1060-Y1062 PolarHBondContact O-N 2.82Å; N1060-Y1062 VanDerWaalsContact O-N 3.11Å; N1060-Y1062 PolarHBondContact OD1-N 2.91Å; N1060-E1063 HydrophobicContact CB-CB 4.33Å; N1060-E1063 PolarHBondContact ND2-OE2 3.05Å; N1060-E1063 PolarHBondContact O-N 2.85Å; N1060-H1064 PolarHBondContact O-N 2.71Å; N1060-T1065 PolarHBondContact N-O 2.87Å; N1060-T1065 VanDerWaalsContact N-O 3.07Å; N1060-V1067 HydrophobicContact CB-CG2 3.84Å
1061P49.6Very low68.1Low43 Ų4353.1 Ų53.128%0.27925%0.248SC..THydrogen-bonded Turntrans-64.1-19.8-175.531.7-41.9000112.9Q985 E1059Q985-P1061 HydrophobicContact CB-CB 3.83Å; Q985-P1061 HydrophobicContact CB-CG 4.02Å; Q985-P1061 WeakPolarHBondContact O-CD 3.4Å; Q985-P1061 WeakPolarHBondContact O-CG 3.46Å; E1059-P1061 WeakPolarHBondContact O-CD 3.43Å
1062Y51.4Low67.9Low199 Ų19953.2 Ų53.278%0.7825%0.249SC*.THydrogen-bonded Turntrans-89.2-23.7-178.8-61.1-74.3000113.4N1060N1060-Y1062 PolarHBondContact O-N 2.82Å; N1060-Y1062 VanDerWaalsContact O-N 3.11Å; N1060-Y1062 PolarHBondContact OD1-N 2.91Å
1063E56.6Low67.9Low120 Ų12053.1 Ų53.156%0.56125%0.249SC*.THydrogen-bonded Turntrans-117-11.6-172.5-65.1179.4152.900113.2N1060 T1065N1060-E1063 HydrophobicContact CB-CB 4.33Å; N1060-E1063 PolarHBondContact ND2-OE2 3.05Å; N1060-E1063 PolarHBondContact O-N 2.85Å; E1063-T1065 WeakPolarHBondContact CB-OG1 3.39Å; E1063-T1065 PolarHBondContact O-N 3.26Å
1064H53.6Low68Low118 Ų11853 Ų5355%0.54625%0.248SC..THydrogen-bonded Turntrans47.730.2-170.8-73.4-66.2000113.1E1059 N1060E1059-H1064 IonicContact OE1-CE1 3.26Å; E1059-H1064 IonicContact OE1-ND1 2.89Å; E1059-H1064 PolarHBondContact OE1-ND1 3.44Å; E1059-H1064 VanDerWaalsContact OE1-ND1 3.09Å; N1060-H1064 PolarHBondContact O-N 2.71Å
1065T48Very low68.2Low65 Ų6553 Ų5340%0.39925%0.248SC..EExtended strand (participates in β ladder)trans-114.2142.6174.346.90000108.5N1060 E1063 V1067N1060-T1065 PolarHBondContact N-O 2.87Å; N1060-T1065 VanDerWaalsContact N-O 3.07Å; E1063-T1065 WeakPolarHBondContact CB-OG1 3.39Å; E1063-T1065 PolarHBondContact O-N 3.26Å; T1065-V1067 WeakPolarHBondContact O-CG2 3.24Å; T1065-V1067 PolarHBondContact O-N 2.83Å; T1065-V1067 WeakPolarHBondContact OG1-CG2 3.27Å
1066F54.2Low68.6Low79 Ų7952.3 Ų52.335%0.34625%0.245SC..EExtended strand (participates in β ladder)trans-81111.7171.6-73.2-80.3000108.7Y1057 Y1058 E1059Y1057-F1066 HydrophobicContact CD1-CB 3.98Å; Y1057-F1066 HydrophobicContact CD1-CG 4.45Å; Y1058-F1066 WeakPolarHBondContact O-CA 3.4Å; E1059-F1066 HydrophobicContact CB-CD1 4.28Å; E1059-F1066 HydrophobicContact CB-CE1 3.97Å; E1059-F1066 HydrophobicContact CB-CZ 4.47Å
1067V55.1Low69.5Low65 Ų6551.6 Ų51.639%0.39424%0.243SC..EExtended strand (participates in β ladder)trans-106.3-11.7-162.5-177.30000114.8Y1058 N1060 T1065Y1058-V1067 HydrophobicContact CE1-CB 4.25Å; Y1058-V1067 HydrophobicContact CE2-CB 4.18Å; Y1058-V1067 PolarHBondContact O-N 2.83Å; Y1058-V1067 WeakPolarHBondContact OH-CB 3.37Å; Y1058-V1067 WeakPolarHBondContact OH-CG1 3.46Å; N1060-V1067 HydrophobicContact CB-CG2 3.84Å; T1065-V1067 WeakPolarHBondContact O-CG2 3.24Å; T1065-V1067 PolarHBondContact O-N 2.83Å; T1065-V1067 WeakPolarHBondContact OG1-CG2 3.27Å
1068K56.8Low70.5Confident101 Ų10149.8 Ų49.844%0.43924%0.236SC..EExtended strand (participates in β ladder)trans-136.7133.2162.7-77167.2170.4164.70111.6Y1057 Y1058Y1057-K1068 WeakPolarHBondContact CA-O 3.27Å; Y1058-K1068 HydrophobicContact CD1-CB 3.7Å; Y1058-K1068 HydrophobicContact CD1-CG 4.39Å; Y1058-K1068 HydrophobicContact CE1-CB 3.38Å; Y1058-K1068 HydrophobicContact CE1-CD 3.78Å; Y1058-K1068 HydrophobicContact CE1-CG 3.61Å
1069N69.1Low71.9Confident54 Ų5448.4 Ų48.429%0.28923%0.231SC..EExtended strand (participates in β ladder)trans-108.1104.5170.1176.9-2.6000107.2R1055 Y1056 Y1057R1055-N1069 WeakPolarHBondContact CB-OD1 3.3Å; R1055-N1069 WeakPolarHBondContact CD-ND2 3.16Å; R1055-N1069 WeakPolarHBondContact CD-OD1 3.41Å; R1055-N1069 WeakPolarHBondContact CG-OD1 3.27Å; R1055-N1069 PolarHBondContact NE-ND2 3.42Å; R1055-N1069 PolarHBondContact NE-OD1 3.05Å; R1055-N1069 PolarHBondContact NH1-ND2 3.43Å; Y1056-N1069 VanDerWaalsContact O-CA 3.26Å; Y1056-N1069 WeakPolarHBondContact O-CA 3.45Å; Y1057-N1069 HydrophobicContact CD1-CB 4.22Å; Y1057-N1069 HydrophobicContact CE1-CB 3.76Å; Y1057-N1069 PolarHBondContact OH-ND2 3.33Å; Y1057-N1069 VanDerWaalsContact OH-ND2 3.13Å
1070K76.5Confident73.3Confident67 Ų6746.1 Ų46.129%0.29122%0.223SC..EExtended strand (participates in β ladder)trans-112.3125.3174-168.2171-178.7178.20109.9R1055 Y1056 V1072R1055-K1070 WeakPolarHBondContact CA-O 3.44Å; Y1056-K1070 WeakPolarHBondContact CB-O 3.36Å; Y1056-K1070 PolarHBondContact N-O 2.68Å; Y1056-K1070 PolarHBondContact O-N 3.48Å; K1070-V1072 PolarHBondContact O-N 3.24Å
1071L85.4Confident74.6Confident4 Ų450.7 Ų50.72%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-66.6126.8176.5-171.666.8000110.7E1007 I1008 V1011 T1053 R1055 V1074E1007-L1071 HydrophobicContact CB-CB 4.47Å; E1007-L1071 HydrophobicContact CB-CD2 4.01Å; I1008-L1071 HydrophobicContact CB-CD2 4.26Å; I1008-L1071 HydrophobicContact CG1-CD2 3.68Å; V1011-L1071 HydrophobicContact CB-CD2 4.14Å; V1011-L1071 HydrophobicContact CB-CG 4.43Å; V1011-L1071 HydrophobicContact CG1-CG 4.48Å; V1011-L1071 HydrophobicContact CG2-CB 4.03Å; V1011-L1071 HydrophobicContact CG2-CD2 3.88Å; V1011-L1071 HydrophobicContact CG2-CG 3.91Å; T1053-L1071 VanDerWaalsContact CB-CD1 3.44Å; T1053-L1071 HydrophobicContact CG2-CD1 3.79Å; R1055-L1071 HydrophobicContact CG-CB 4.36Å; R1055-L1071 HydrophobicContact CG-CD1 3.73Å; L1071-V1074 HydrophobicContact CD1-CG2 4.1Å; L1071-V1074 HydrophobicContact CD2-CG2 3.71Å; L1071-V1074 HydrophobicContact CG-CG2 4.06Å
1072V86.4Confident76.4Confident2 Ų252.3 Ų52.31%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-123.2-19.2-177.1-68.30000113.3I990 A1054 K1070 I1124 T1125 W1143I990-V1072 HydrophobicContact CD1-CG2 4.24Å; I990-V1072 HydrophobicContact CG2-CG2 4.15Å; A1054-V1072 HydrophobicContact CB-CG2 4.25Å; A1054-V1072 WeakPolarHBondContact O-CG2 3.47Å; A1054-V1072 PolarHBondContact O-N 2.84Å; K1070-V1072 PolarHBondContact O-N 3.24Å; V1072-I1124 CarbonylContact O-C 3.47Å; V1072-I1124 VanDerWaalsContact O-CA 3.3Å; V1072-I1124 WeakPolarHBondContact O-CA 3.28Å; V1072-I1124 WeakPolarHBondContact O-CG2 3.43Å; V1072-T1125 PolarHBondContact O-N 2.96Å; V1072-W1143 HydrophobicContact CB-CH2 4.42Å; V1072-W1143 HydrophobicContact CB-CZ2 4.4Å; V1072-W1143 HydrophobicContact CG1-CH2 4.22Å; V1072-W1143 HydrophobicContact CG1-CZ2 4.48Å
1073G90.1Very high78.1Confident0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-152.6152.5174.700000112.8T1053 A1054 A1123T1053-G1073 CarbonylContact C-O 3.14Å; A1054-G1073 PolarHBondContact N-O 2.81Å; A1054-G1073 PolarHBondContact O-N 2.87Å; A1054-G1073 VanDerWaalsContact O-N 3.16Å; G1073-A1123 CarbonylContact C-O 3.53Å; G1073-A1123 WeakPolarHBondContact CA-O 3.47Å
1074V93.5Very high79.7Confident0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-142.7142.2179.5-176.50000109.4I1008 V1011 L1012 V1051 L1052 L1071 I1076 V1122 A1123I1008-V1074 HydrophobicContact CG1-CG2 4.32Å; I1008-V1074 HydrophobicContact CG2-CG1 3.96Å; I1008-V1074 HydrophobicContact CG2-CG2 4.28Å; V1011-V1074 HydrophobicContact CG1-CG2 4.07Å; L1012-V1074 HydrophobicContact CD1-CB 4.48Å; L1012-V1074 HydrophobicContact CD1-CG1 4.18Å; L1012-V1074 HydrophobicContact CD2-CB 4.03Å; L1012-V1074 HydrophobicContact CD2-CG1 4.44Å; L1012-V1074 HydrophobicContact CG-CB 4.18Å; L1012-V1074 HydrophobicContact CG-CG1 4.42Å; V1051-V1074 HydrophobicContact CG1-CG1 4.28Å; L1052-V1074 CarbonylContact O-C 3.6Å; L1052-V1074 VanDerWaalsContact O-CA 3.31Å; L1052-V1074 WeakPolarHBondContact O-CA 3.47Å; L1071-V1074 HydrophobicContact CD1-CG2 4.1Å; L1071-V1074 HydrophobicContact CD2-CG2 3.71Å; L1071-V1074 HydrophobicContact CG-CG2 4.06Å; V1074-I1076 HydrophobicContact CG1-CG1 3.97Å; V1074-V1122 WeakPolarHBondContact O-CA 3.12Å; V1074-A1123 PolarHBondContact N-O 3.02Å; V1074-A1123 PolarHBondContact O-N 2.87Å
1075I94.2Very high81.3Confident0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-128.3131.6163-171.6163.8000109.2V1051 L1052 T1119 M1121 V1122 L1154 E1155 L1158V1051-I1075 CarbonylContact C-O 3.59Å; V1051-I1075 VanDerWaalsContact CA-O 3.29Å; V1051-I1075 WeakPolarHBondContact CA-O 3.48Å; L1052-I1075 HydrophobicContact CB-CG2 3.6Å; L1052-I1075 HydrophobicContact CD1-CG2 4.04Å; L1052-I1075 HydrophobicContact CG-CG2 3.85Å; L1052-I1075 PolarHBondContact N-O 2.78Å; L1052-I1075 PolarHBondContact O-N 3.48Å; I1075-T1119 HydrophobicContact CD1-CG2 3.98Å; I1075-T1119 HydrophobicContact CG1-CG2 3.88Å; I1075-M1121 CarbonylContact C-O 3.57Å; I1075-M1121 WeakPolarHBondContact CA-O 3.03Å; I1075-V1122 HydrophobicContact CB-CB 4.34Å; I1075-V1122 HydrophobicContact CB-CG2 4.03Å; I1075-V1122 HydrophobicContact CD1-CB 4.26Å; I1075-V1122 HydrophobicContact CD1-CG2 4.11Å; I1075-V1122 HydrophobicContact CG1-CB 4.04Å; I1075-V1122 HydrophobicContact CG1-CG2 4.12Å; I1075-L1154 HydrophobicContact CB-CB 4.47Å; I1075-L1154 HydrophobicContact CG2-CB 4.18Å; I1075-L1154 HydrophobicContact CG2-CD2 4.01Å; I1075-E1155 WeakPolarHBondContact CD1-OE2 3.32Å; I1075-L1158 HydrophobicContact CD1-CB 4.37Å; I1075-L1158 HydrophobicContact CD1-CD2 3.63Å; I1075-L1158 HydrophobicContact CG1-CD2 4.29Å
1076I94Very high83.1Confident0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-117.4120.6178.4-59.2177.3000108.2L1012 I1037 F1040 L1041 V1051 V1074 L1078 Q1120 M1121L1012-I1076 HydrophobicContact CD1-CD1 3.48Å; L1012-I1076 VanDerWaalsContact CD1-CD1 3.48Å; L1012-I1076 HydrophobicContact CD1-CG1 4.29Å; I1037-I1076 HydrophobicContact CG2-CD1 4.47Å; F1040-I1076 HydrophobicContact CB-CG2 4.3Å; L1041-I1076 HydrophobicContact CD2-CD1 3.75Å; L1041-I1076 HydrophobicContact CD2-CG1 4.48Å; L1041-I1076 HydrophobicContact CG-CD1 4.23Å; V1051-I1076 HydrophobicContact CG1-CG1 4.21Å; V1051-I1076 HydrophobicContact CG2-CB 4.44Å; V1051-I1076 HydrophobicContact CG2-CG1 4.25Å; V1051-I1076 HydrophobicContact CG2-CG2 4.12Å; V1074-I1076 HydrophobicContact CG1-CG1 3.97Å; I1076-L1078 HydrophobicContact CG2-CG 4.48Å; I1076-Q1120 PolarHBondContact O-N 3.28Å; I1076-M1121 PolarHBondContact N-O 2.99Å; I1076-M1121 PolarHBondContact O-N 3.11Å
1077S94.2Very high84.5Confident0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-131.9130.4175.1-51.90000110.3G1049 I1050 A1118 T1119 L1158G1049-S1077 CarbonylContact C-O 3.52Å; G1049-S1077 VanDerWaalsContact CA-O 3.32Å; G1049-S1077 WeakPolarHBondContact CA-O 3.38Å; I1050-S1077 PolarHBondContact N-O 3.18Å; I1050-S1077 PolarHBondContact O-N 2.75Å; S1077-A1118 VanDerWaalsContact CA-O 3.31Å; S1077-A1118 WeakPolarHBondContact CA-O 3.38Å; S1077-T1119 WeakPolarHBondContact OG-CA 3.1Å; S1077-T1119 PolarHBondContact OG-OG1 3.32Å; S1077-L1158 WeakPolarHBondContact OG-CD1 2.97Å; S1077-L1158 WeakPolarHBondContact OG-CD2 3.32Å
1078L92.7Very high85.9Confident2 Ų238.3 Ų38.31%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-116.5154.9-176.2-61.6177.8000110.2F1040 A1043 H1044 I1076 A1080 V1083 A1118 Q1120F1040-L1078 HydrophobicContact CB-CD1 4.12Å; F1040-L1078 HydrophobicContact CD1-CD1 3.95Å; F1040-L1078 HydrophobicContact CG-CD1 4.44Å; A1043-L1078 HydrophobicContact CB-CD1 4.12Å; H1044-L1078 HydrophobicContact CB-CD2 3.65Å; I1076-L1078 HydrophobicContact CG2-CG 4.48Å; L1078-A1080 PolarHBondContact O-N 3.24Å; L1078-V1083 HydrophobicContact CB-CG2 4.16Å; L1078-A1118 PolarHBondContact N-O 2.75Å; L1078-A1118 PolarHBondContact O-N 2.83Å; L1078-Q1120 HydrophobicContact CD1-CG 4.16Å; L1078-Q1120 HydrophobicContact CG-CG 4.27Å
1079P91.9Very high87.5Confident11 Ų1134.6 Ų34.67%0.07118%0.182CC..EExtended strand (participates in β ladder)trans-55.8129.2170.7-21.632.7000109.8N1047 K1081 H1082 V1083N1047-P1079 HydrophobicContact CB-CG 4.31Å; P1079-K1081 PolarHBondContact O-N 2.79Å; P1079-K1081 VanDerWaalsContact O-N 3.14Å; P1079-H1082 HydrophobicContact CB-CB 4.28Å; P1079-H1082 CarbonylContact O-C 3.29Å; P1079-H1082 WeakPolarHBondContact O-CA 3.45Å; P1079-H1082 PolarHBondContact O-N 2.81Å; P1079-V1083 PolarHBondContact O-N 3.47Å
1080A89.6Confident88.4Confident12 Ų1237.6 Ų37.610%0.09920%0.204CC..G310 helixtrans-58.9-34.7-167.700000113L1078 H1082 M1113 L1116 A1118 I1171L1078-A1080 PolarHBondContact O-N 3.24Å; A1080-H1082 VanDerWaalsContact C-N 3.27Å; A1080-H1082 PolarHBondContact O-N 3.31Å; A1080-M1113 HydrophobicContact CB-CE 3.58Å; A1080-M1113 HydrophobicContact CB-SD 4.26Å; A1080-L1116 HydrophobicContact CB-CB 3.83Å; A1080-L1116 WeakPolarHBondContact CB-O 3.44Å; A1080-L1116 PolarHBondContact N-O 3.35Å; A1080-A1118 HydrophobicContact CB-CB 4.06Å; A1080-I1171 HydrophobicContact CB-CD1 4.03Å
1081K84.7Confident89.1Confident122 Ų12237.6 Ų37.653%0.5320%0.204SC..G310 helixtrans-66.8-24.8174-177.6172.4-179.9-176.50114.5P1079 D1114P1079-K1081 PolarHBondContact O-N 2.79Å; P1079-K1081 VanDerWaalsContact O-N 3.14Å; K1081-D1114 WeakPolarHBondContact CD-OD1 3.45Å; K1081-D1114 WeakPolarHBondContact CE-OD1 3.49Å; K1081-D1114 IonicContact NZ-OD1 2.68Å; K1081-D1114 PolarHBondContact NZ-OD1 2.89Å; K1081-D1114 IonicContact NZ-OD2 3.97Å
1082H86.1Confident89.5Confident77 Ų7737.5 Ų37.536%0.35620%0.204SC..G310 helixtrans-107.411.7-172.7-59.8114.5000112.9N1047 P1079 A1080 P1084N1047-H1082 HydrophobicContact CB-CB 3.92Å; N1047-H1082 VanDerWaalsContact CG-CG 3.45Å; N1047-H1082 WeakPolarHBondContact ND2-CB 3.28Å; N1047-H1082 PolarHBondContact ND2-CD2 3.33Å; P1079-H1082 HydrophobicContact CB-CB 4.28Å; P1079-H1082 CarbonylContact O-C 3.29Å; P1079-H1082 WeakPolarHBondContact O-CA 3.45Å; P1079-H1082 PolarHBondContact O-N 2.81Å; A1080-H1082 VanDerWaalsContact C-N 3.27Å; A1080-H1082 PolarHBondContact O-N 3.31Å; H1082-P1084 VanDerWaalsContact O-CD 3.3Å; H1082-P1084 WeakPolarHBondContact O-CD 3.43Å
1083V87.9Confident89.8Confident45 Ų4538.1 Ų38.127%0.27321%0.209SC..PPolyproline II helixtrans-68.5118.6173.7-179.90000108.6F1040 L1078 P1079 A1118F1040-V1083 HydrophobicContact CE1-CG1 4.13Å; L1078-V1083 HydrophobicContact CB-CG2 4.16Å; P1079-V1083 PolarHBondContact O-N 3.47Å; V1083-A1118 HydrophobicContact CG2-CB 3.87Å
1084P89.2Confident89.9Confident36 Ų3639.1 Ų39.123%0.23421%0.214CC..PPolyproline II helixtrans-71.7148.3177.331.9-38.2000111.4V1039 F1040 A1043 H1082V1039-P1084 HydrophobicContact CG1-CB 3.69Å; V1039-P1084 HydrophobicContact CG1-CG 3.31Å; F1040-P1084 HydrophobicContact CD1-CG 3.91Å; F1040-P1084 HydrophobicContact CE1-CG 4.25Å; A1043-P1084 HydrophobicContact CB-CB 4.44Å; A1043-P1084 HydrophobicContact CB-CG 3.69Å; H1082-P1084 VanDerWaalsContact O-CD 3.3Å; H1082-P1084 WeakPolarHBondContact O-CD 3.43Å
1085S87.6Confident89.9Confident70 Ų7039.5 Ų39.549%0.4922%0.217SC..PPolyproline II helixtrans-76.4135175.761.80000112.3H1087S1085-H1087 PolarHBondContact O-N 3.01Å; S1085-H1087 PolarHBondContact OG-CD2 3.09Å
1086L85.6Confident89.8Confident5 Ų540.9 Ų40.93%0.02622%0.223CC..  trans-86.579.9175.9-70.8173.2000111.8A1036 V1039 F1040 L1092 A1093 Q1096A1036-L1086 HydrophobicContact CB-CD1 4.33Å; A1036-L1086 HydrophobicContact CB-CD2 3.7Å; V1039-L1086 HydrophobicContact CB-CD2 4.28Å; V1039-L1086 HydrophobicContact CG1-CD2 4.2Å; F1040-L1086 HydrophobicContact CE1-CG 4.39Å; F1040-L1086 HydrophobicContact CE2-CD1 4.06Å; F1040-L1086 HydrophobicContact CE2-CD2 4.49Å; F1040-L1086 HydrophobicContact CZ-CD1 3.6Å; F1040-L1086 HydrophobicContact CZ-CD2 4.17Å; F1040-L1086 HydrophobicContact CZ-CG 3.93Å; L1086-L1092 HydrophobicContact CB-CB 4.33Å; L1086-L1092 CarbonylContact O-C 3.55Å; L1086-A1093 WeakPolarHBondContact O-CA 3.35Å; L1086-A1093 PolarHBondContact O-N 3.49Å; L1086-Q1096 HydrophobicContact CB-CB 4.31Å; L1086-Q1096 WeakPolarHBondContact O-CB 3.34Å
1087H84.5Confident89.8Confident102 Ų10245.2 Ų45.247%0.47224%0.239SC..  trans-116.516.8178.6-65.5-52.9000114.7S1085 Q1096S1085-H1087 PolarHBondContact O-N 3.01Å; S1085-H1087 PolarHBondContact OG-CD2 3.09Å; H1087-Q1096 VanDerWaalsContact CE1-CG 3.42Å; H1087-Q1096 WeakPolarHBondContact CE1-CG 3.38Å
1088L84.6Confident89.7Confident94 Ų9445.2 Ų45.249%0.49224%0.239SC..SBendtrans-71.8-41.3-171-71.2163.2000113.8E1035 V1039 L1092E1035-L1088 HydrophobicContact CG-CB 4.06Å; E1035-L1088 HydrophobicContact CG-CD1 3.45Å; E1035-L1088 VanDerWaalsContact CG-CD1 3.45Å; E1035-L1088 HydrophobicContact CG-CG 4.34Å; E1035-L1088 WeakPolarHBondContact OE1-CB 3.08Å; V1039-L1088 HydrophobicContact CG2-CD1 3.2Å; L1088-L1092 HydrophobicContact CB-CD1 4.35Å
1089T88.9Confident89.7Confident24 Ų2447.2 Ų47.215%0.14725%0.248CC..SBendtrans-116.4156.5172.876.20000110.4D1032 E1035 K1091 L1092 A1093D1032-T1089 PolarHBondContact OD1-OG1 2.86Å; E1035-T1089 WeakPolarHBondContact OE2-CG2 3.32Å; T1089-K1091 PolarHBondContact O-N 3.22Å; T1089-K1091 VanDerWaalsContact O-N 3.16Å; T1089-L1092 HydrophobicContact CG2-CD1 4.43Å; T1089-L1092 PolarHBondContact O-N 2.89Å; T1089-L1092 VanDerWaalsContact O-N 3.13Å; T1089-L1092 WeakPolarHBondContact OG1-CG 3.42Å; T1089-L1092 PolarHBondContact OG1-N 3.1Å; T1089-L1092 VanDerWaalsContact OG1-N 3.16Å; T1089-A1093 WeakPolarHBondContact O-CB 3.41Å; T1089-A1093 PolarHBondContact O-N 3.42Å
1090P88Confident89.6Confident117 Ų11750.1 Ų50.176%0.7626%0.263SS*.Hα-helixtrans-54.6-33.9174.9-26.935000113.2L1094P1090-L1094 PolarHBondContact O-N 3.19Å
1091K92.5Very high89.6Confident66 Ų6653.4 Ų53.429%0.28728%0.276SS..Hα-helixtrans-71.5-44.9177.2-60.2-175.3-159158.60111.7K1027 L1028 D1029 D1032 T1089 A1093 L1094 V1095K1027-K1091 WeakPolarHBondContact O-CD 3.24Å; K1027-K1091 WeakPolarHBondContact O-CE 3.45Å; K1027-K1091 PolarHBondContact O-NZ 2.96Å; L1028-K1091 HydrophobicContact CD2-CB 3.66Å; L1028-K1091 HydrophobicContact CD2-CD 4.12Å; D1029-K1091 IonicContact OD2-NZ 3.67Å; D1029-K1091 PolarHBondContact OD2-NZ 3.18Å; D1029-K1091 VanDerWaalsContact OD2-NZ 3.16Å; D1032-K1091 WeakPolarHBondContact OD2-CD 3.3Å; D1032-K1091 IonicContact OD2-NZ 3.64Å; D1032-K1091 PolarHBondContact OD2-NZ 2.91Å; T1089-K1091 PolarHBondContact O-N 3.22Å; T1089-K1091 VanDerWaalsContact O-N 3.16Å; K1091-A1093 VanDerWaalsContact C-N 3.31Å; K1091-A1093 PolarHBondContact O-N 3.15Å; K1091-L1094 WeakPolarHBondContact O-CB 3.42Å; K1091-L1094 PolarHBondContact O-N 3.06Å; K1091-L1094 VanDerWaalsContact O-N 3.14Å; K1091-V1095 WeakPolarHBondContact O-CG2 3.45Å; K1091-V1095 PolarHBondContact O-N 3.13Å
1092L92.7Very high89.8Confident3 Ų347.6 Ų47.62%0.01625%0.251CS..Hα-helixtrans-64.1-37.4175.2-69.7-179.2000111.7E1035 A1036 L1086 L1088 T1089 L1094 V1095 Q1096E1035-L1092 HydrophobicContact CB-CD1 4.39Å; E1035-L1092 HydrophobicContact CG-CD1 4.38Å; A1036-L1092 HydrophobicContact CB-CD1 4.24Å; A1036-L1092 HydrophobicContact CB-CD2 3.87Å; L1086-L1092 HydrophobicContact CB-CB 4.33Å; L1086-L1092 CarbonylContact O-C 3.55Å; L1088-L1092 HydrophobicContact CB-CD1 4.35Å; T1089-L1092 HydrophobicContact CG2-CD1 4.43Å; T1089-L1092 PolarHBondContact O-N 2.89Å; T1089-L1092 VanDerWaalsContact O-N 3.13Å; T1089-L1092 WeakPolarHBondContact OG1-CG 3.42Å; T1089-L1092 PolarHBondContact OG1-N 3.1Å; T1089-L1092 VanDerWaalsContact OG1-N 3.16Å; L1092-L1094 PolarHBondContact O-N 2.97Å; L1092-V1095 WeakPolarHBondContact O-CA 3.43Å; L1092-V1095 WeakPolarHBondContact O-CB 3.47Å; L1092-V1095 PolarHBondContact O-N 3.31Å; L1092-V1095 VanDerWaalsContact O-N 3.08Å; L1092-Q1096 PolarHBondContact O-N 3.25Å
1093A92.7Very high89.7Confident15 Ų1545.3 Ų45.312%0.12424%0.244CC..Hα-helixtrans-62.1-32.5174.300000112.5L1086 T1089 K1091 R1097L1086-A1093 WeakPolarHBondContact O-CA 3.35Å; L1086-A1093 PolarHBondContact O-N 3.49Å; T1089-A1093 WeakPolarHBondContact O-CB 3.41Å; T1089-A1093 PolarHBondContact O-N 3.42Å; K1091-A1093 VanDerWaalsContact C-N 3.31Å; K1091-A1093 PolarHBondContact O-N 3.15Å; A1093-R1097 WeakPolarHBondContact O-CG 3.47Å; A1093-R1097 PolarHBondContact O-N 2.9Å; A1093-R1097 VanDerWaalsContact O-N 3.13Å; A1093-R1097 PolarHBondContact O-NH1 3.49Å; A1093-R1097 VanDerWaalsContact O-NH1 3.16Å
1094L93Very high88.8Confident20 Ų2046 Ų4611%0.10525%0.246CC..Hα-helixtrans-70.7-40.4172.6-175.467.1000111.6L1026 P1090 K1091 L1092 Q1096 R1097 F1098 F1199 M1200 E1203 L1205L1026-L1094 HydrophobicContact CD2-CD2 3.9Å; P1090-L1094 PolarHBondContact O-N 3.19Å; K1091-L1094 WeakPolarHBondContact O-CB 3.42Å; K1091-L1094 PolarHBondContact O-N 3.06Å; K1091-L1094 VanDerWaalsContact O-N 3.14Å; L1092-L1094 PolarHBondContact O-N 2.97Å; L1094-Q1096 VanDerWaalsContact C-N 3.33Å; L1094-Q1096 PolarHBondContact O-N 3.36Å; L1094-R1097 PolarHBondContact O-N 2.68Å; L1094-F1098 PolarHBondContact O-N 2.82Å; L1094-F1199 HydrophobicContact CD1-CE1 3.67Å; L1094-F1199 HydrophobicContact CD1-CZ 3.86Å; L1094-F1199 HydrophobicContact CG-CE1 4.19Å; L1094-M1200 HydrophobicContact CD2-SD 4.38Å; L1094-E1203 HydrophobicContact CD1-CG 4.17Å; L1094-L1205 HydrophobicContact CD1-CD1 3.71Å; L1094-L1205 HydrophobicContact CD2-CD1 3.63Å; L1094-L1205 HydrophobicContact CG-CD1 4.36Å
1095V92.5Very high87.5Confident9 Ų952.4 Ų52.46%0.05527%0.27CS..Hα-helixtrans-59-45172.6176.80000110.7L1026 L1028 K1091 L1092 F1098 F1099L1026-V1095 HydrophobicContact CD1-CG2 3.57Å; L1028-V1095 HydrophobicContact CD1-CG2 4.01Å; L1028-V1095 HydrophobicContact CD2-CG2 4.23Å; K1091-V1095 WeakPolarHBondContact O-CG2 3.45Å; K1091-V1095 PolarHBondContact O-N 3.13Å; L1092-V1095 WeakPolarHBondContact O-CA 3.43Å; L1092-V1095 WeakPolarHBondContact O-CB 3.47Å; L1092-V1095 PolarHBondContact O-N 3.31Å; L1092-V1095 VanDerWaalsContact O-N 3.08Å; V1095-F1098 WeakPolarHBondContact O-CB 3.3Å; V1095-F1098 PolarHBondContact O-N 2.65Å; V1095-F1099 HydrophobicContact CG1-CD2 3.94Å; V1095-F1099 HydrophobicContact CG1-CE2 3.52Å; V1095-F1099 HydrophobicContact CG1-CZ 3.98Å; V1095-F1099 PolarHBondContact O-N 2.96Å
1096Q93.2Very high86.2Confident28 Ų2855.5 Ų55.513%0.13128%0.281CS..Hα-helixtrans-60.5-48177.7-174.662.156.200111.6L1086 H1087 L1092 L1094 F1098 F1099 D1100L1086-Q1096 HydrophobicContact CB-CB 4.31Å; L1086-Q1096 WeakPolarHBondContact O-CB 3.34Å; H1087-Q1096 VanDerWaalsContact CE1-CG 3.42Å; H1087-Q1096 WeakPolarHBondContact CE1-CG 3.38Å; L1092-Q1096 PolarHBondContact O-N 3.25Å; L1094-Q1096 VanDerWaalsContact C-N 3.33Å; L1094-Q1096 PolarHBondContact O-N 3.36Å; Q1096-F1098 VanDerWaalsContact C-N 3.25Å; Q1096-F1098 PolarHBondContact O-N 3.47Å; Q1096-F1099 PolarHBondContact O-N 3.45Å; Q1096-F1099 VanDerWaalsContact O-N 3.15Å; Q1096-D1100 PolarHBondContact NE2-OD1 3.36Å; Q1096-D1100 PolarHBondContact O-N 2.92Å
1097R93.3Very high85.1Confident92 Ų9260.7 Ų60.735%0.34731%0.305SS..Hα-helixtrans-60.5-35.9176.6-72.2-163.7-55-77.79.8112.4A1093 L1094 D1100 E1101 F1199 E1203A1093-R1097 WeakPolarHBondContact O-CG 3.47Å; A1093-R1097 PolarHBondContact O-N 2.9Å; A1093-R1097 VanDerWaalsContact O-N 3.13Å; A1093-R1097 PolarHBondContact O-NH1 3.49Å; A1093-R1097 VanDerWaalsContact O-NH1 3.16Å; L1094-R1097 PolarHBondContact O-N 2.68Å; R1097-D1100 PolarHBondContact O-N 3.3Å; R1097-E1101 PolarHBondContact O-N 3.22Å; R1097-F1199 HydrophobicContact CB-CE2 4.07Å; R1097-F1199 HydrophobicContact CB-CZ 3.81Å; R1097-E1203 IonicContact CZ-OE2 3.26Å; R1097-E1203 VanDerWaalsContact CZ-OE2 3.26Å; R1097-E1203 IonicContact NE-OE1 3.51Å; R1097-E1203 IonicContact NE-OE2 2.91Å; R1097-E1203 PolarHBondContact NE-OE2 3.38Å; R1097-E1203 IonicContact NH2-OE2 2.75Å; R1097-E1203 PolarHBondContact NH2-OE2 3.06Å
1098F93.3Very high83.9Confident0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-64.1-45.2175.3179.2-124.5000111.6L1022 L1094 V1095 Q1096 E1101 C1102 T1194 L1196 F1199 C1216L1022-F1098 HydrophobicContact CD1-CD1 4.26Å; L1022-F1098 HydrophobicContact CD1-CE1 4.07Å; L1022-F1098 HydrophobicContact CD2-CD1 4.21Å; L1022-F1098 HydrophobicContact CD2-CE1 4.17Å; L1094-F1098 PolarHBondContact O-N 2.82Å; V1095-F1098 WeakPolarHBondContact O-CB 3.3Å; V1095-F1098 PolarHBondContact O-N 2.65Å; Q1096-F1098 VanDerWaalsContact C-N 3.25Å; Q1096-F1098 PolarHBondContact O-N 3.47Å; F1098-E1101 PolarHBondContact O-N 3.38Å; F1098-C1102 PolarHBondContact O-N 3.03Å; F1098-C1102 PolarHBondContact O-SG 3.3Å; F1098-T1194 HydrophobicContact CE2-CG2 4.11Å; F1098-L1196 HydrophobicContact CD1-CD1 4.36Å; F1098-L1196 HydrophobicContact CD2-CD1 4.07Å; F1098-L1196 HydrophobicContact CE1-CD1 4.24Å; F1098-L1196 HydrophobicContact CE2-CB 4.41Å; F1098-L1196 HydrophobicContact CE2-CD1 3.94Å; F1098-L1196 HydrophobicContact CG-CD1 4.28Å; F1098-L1196 HydrophobicContact CZ-CB 4.26Å; F1098-L1196 HydrophobicContact CZ-CD1 4.02Å; F1098-F1199 HydrophobicContact CB-CD1 3.96Å; F1098-F1199 HydrophobicContact CB-CE1 3.66Å; F1098-F1199 HydrophobicContact CB-CE2 4.27Å; F1098-F1199 HydrophobicContact CB-CG 4.38Å; F1098-F1199 HydrophobicContact CB-CZ 3.83Å; F1098-F1199 HydrophobicContact CD2-CB 3.75Å; F1098-F1199 AromaticContact CD2-CD1 3.62Å; F1098-F1199 HydrophobicContact CD2-CD1 3.62Å; F1098-F1199 HydrophobicContact CD2-CD2 4.11Å; F1098-F1199 HydrophobicContact CD2-CE1 4.23Å; F1098-F1199 AromaticContact CD2-CG 3.55Å; F1098-F1199 HydrophobicContact CD2-CG 3.55Å; F1098-F1199 HydrophobicContact CE2-CB 4.05Å; F1098-F1199 HydrophobicContact CE2-CG 4.34Å; F1098-F1199 HydrophobicContact CG-CD1 4.13Å; F1098-F1199 HydrophobicContact CG-CE1 4.32Å; F1098-F1199 HydrophobicContact CG-CG 4.4Å; F1098-C1216 HydrophobicContact CE1-CB 3.71Å; F1098-C1216 HydrophobicContact CZ-CB 3.62Å
1099F91.5Very high82.6Confident43 Ų4362.1 Ų62.119%0.18931%0.309CS..Hα-helixtrans-68.8-34.2176.4-66.6-27.6000113.1L1022 V1095 Q1096 E1101 C1102 S1103 F1173 T1175L1022-F1099 HydrophobicContact CD2-CE1 4.19Å; L1022-F1099 HydrophobicContact CD2-CZ 4.2Å; V1095-F1099 HydrophobicContact CG1-CD2 3.94Å; V1095-F1099 HydrophobicContact CG1-CE2 3.52Å; V1095-F1099 HydrophobicContact CG1-CZ 3.98Å; V1095-F1099 PolarHBondContact O-N 2.96Å; Q1096-F1099 PolarHBondContact O-N 3.45Å; Q1096-F1099 VanDerWaalsContact O-N 3.15Å; F1099-E1101 VanDerWaalsContact C-N 3.34Å; F1099-E1101 PolarHBondContact O-N 3.1Å; F1099-C1102 WeakPolarHBondContact O-CB 3.41Å; F1099-C1102 PolarHBondContact O-N 3.5Å; F1099-C1102 VanDerWaalsContact O-N 3.14Å; F1099-S1103 PolarHBondContact O-N 3.1Å; F1099-F1173 HydrophobicContact CD1-CB 4.48Å; F1099-F1173 HydrophobicContact CD1-CD1 4.49Å; F1099-F1173 HydrophobicContact CD1-CG 4.39Å; F1099-F1173 HydrophobicContact CE1-CB 4.4Å; F1099-T1175 HydrophobicContact CE1-CG2 4Å; F1099-T1175 HydrophobicContact CZ-CG2 4.45Å
1100D90.3Very high81.4Confident73 Ų7368.6 Ų68.639%0.3934%0.343SS..Hα-helixtrans-61-43.7173.4-65.4-23.9000110.8Q1096 R1097 C1102 S1103Q1096-D1100 PolarHBondContact NE2-OD1 3.36Å; Q1096-D1100 PolarHBondContact O-N 2.92Å; R1097-D1100 PolarHBondContact O-N 3.3Å; D1100-C1102 VanDerWaalsContact C-N 3.3Å; D1100-C1102 PolarHBondContact O-N 3.48Å; D1100-S1103 PolarHBondContact O-N 3.37Å; D1100-S1103 VanDerWaalsContact O-N 3.11Å; D1100-S1103 PolarHBondContact O-OG 2.92Å
1101E90.4Very high80.5Confident80 Ų8065 Ų6537%0.37432%0.317SS..Hα-helixtrans-65.9-30.7174.7-170.480.6-173.300112.5R1097 F1098 F1099 S1103 Q1192 T1194 F1199 K1202R1097-E1101 PolarHBondContact O-N 3.22Å; F1098-E1101 PolarHBondContact O-N 3.38Å; F1099-E1101 VanDerWaalsContact C-N 3.34Å; F1099-E1101 PolarHBondContact O-N 3.1Å; E1101-S1103 VanDerWaalsContact C-N 3.28Å; E1101-Q1192 PolarHBondContact O-NE2 3.3Å; E1101-Q1192 VanDerWaalsContact O-NE2 3.08Å; E1101-T1194 HydrophobicContact CG-CG2 4.38Å; E1101-F1199 HydrophobicContact CB-CD2 4.14Å; E1101-F1199 HydrophobicContact CB-CE2 4.48Å; E1101-F1199 HydrophobicContact CG-CD2 4.28Å; E1101-K1202 IonicContact OE1-NZ 3.62Å; E1101-K1202 PolarHBondContact OE1-NZ 3.24Å; E1101-K1202 IonicContact OE2-NZ 3.8Å; E1101-K1202 PolarHBondContact OE2-NZ 3.01Å
1102C88.4Confident79.7Confident1 Ų164.6 Ų64.61%0.00732%0.322CS..Hα-helixtrans-72-23.9173.6-63.80000112.7F1098 F1099 D1100 F1173 T1194F1098-C1102 PolarHBondContact O-N 3.03Å; F1098-C1102 PolarHBondContact O-SG 3.3Å; F1099-C1102 WeakPolarHBondContact O-CB 3.41Å; F1099-C1102 PolarHBondContact O-N 3.5Å; F1099-C1102 VanDerWaalsContact O-N 3.14Å; D1100-C1102 VanDerWaalsContact C-N 3.3Å; D1100-C1102 PolarHBondContact O-N 3.48Å; C1102-F1173 HydrophobicContact CB-CD1 3.87Å; C1102-F1173 HydrophobicContact CB-CE1 3.65Å; C1102-T1194 VanDerWaalsContact SG-CB 3.59Å
1103S84.3Confident78.9Confident29 Ų2968.4 Ų68.420%0.20334%0.341CS..  trans-95.2110.8-176.875.30000111.3F1099 D1100 E1101 K1105F1099-S1103 PolarHBondContact O-N 3.1Å; D1100-S1103 PolarHBondContact O-N 3.37Å; D1100-S1103 VanDerWaalsContact O-N 3.11Å; D1100-S1103 PolarHBondContact O-OG 2.92Å; E1101-S1103 VanDerWaalsContact C-N 3.28Å; S1103-K1105 PolarHBondContact O-N 3.05Å
1104N69.4Low78.1Confident58 Ų5871.6 Ų71.631%0.3136%0.356SS..  trans-92.798.5171.1-162.5-13.8000109.9D1106 Q1107N1104-D1106 PolarHBondContact O-N 3.26Å; N1104-D1106 VanDerWaalsContact O-N 3.15Å; N1104-D1106 PolarHBondContact OD1-N 3.35Å; N1104-Q1107 PolarHBondContact O-N 2.89Å
1105K61.2Low77.7Confident171 Ų17174.6 Ų74.674%0.74337%0.372SS*.G310 helixtrans-62.4-19.8-176.1-70.2-177.2179.5175.40113.5S1103 Q1107S1103-K1105 PolarHBondContact O-N 3.05Å; K1105-Q1107 PolarHBondContact O-N 3.2Å
1106D59.8Low77.6Confident136 Ų13674.1 Ų74.173%0.72737%0.369SS*.G310 helixtrans-83.6-5.3-173-65.6-29.3000114.5N1104N1104-D1106 PolarHBondContact O-N 3.26Å; N1104-D1106 VanDerWaalsContact O-N 3.15Å; N1104-D1106 PolarHBondContact OD1-N 3.35Å
1107Q62.3Low77.6Confident114 Ų11472.8 Ų72.853%0.53336%0.363SS..G310 helixtrans-90.3-6.6-176-80.1-172.1-21.700115.6N1104 K1105N1104-Q1107 PolarHBondContact O-N 2.89Å; K1105-Q1107 PolarHBondContact O-N 3.2Å
1108F60.2Low77.6Confident44 Ų4468.7 Ų68.719%0.19335%0.349CS..  trans-114.571.2-179.9-53-80.9000111.7D1110 I1191 Y1218 I1220F1108-D1110 VanDerWaalsContact C-N 3.3Å; F1108-I1191 HydrophobicContact CE1-CD1 3.96Å; F1108-I1191 HydrophobicContact CE2-CD1 4.47Å; F1108-I1191 HydrophobicContact CZ-CD1 3.42Å; F1108-I1191 VanDerWaalsContact CZ-CD1 3.42Å; F1108-I1191 HydrophobicContact CZ-CG1 4.45Å; F1108-Y1218 AromaticContact CE2-CE1 3.73Å; F1108-Y1218 HydrophobicContact CE2-CE1 3.73Å; F1108-Y1218 WeakPolarHBondContact CE2-OH 3.47Å; F1108-Y1218 AromaticContact CZ-CE1 3.81Å; F1108-Y1218 HydrophobicContact CZ-CE1 3.81Å; F1108-I1220 HydrophobicContact CD1-CD1 4.23Å; F1108-I1220 HydrophobicContact CE1-CD1 3.52Å; F1108-I1220 HydrophobicContact CZ-CD1 4.26Å
1109Q56.6Low77.7Confident182 Ų18269 Ų6985%0.8535%0.35SS*.SBendtrans-74.5-22172.3-72.9-172.1-8.400112.7
1110D64.3Low77.7Confident160 Ų16069 Ų6986%0.85635%0.351SS*.SBendtrans-103.9-8.6-170.3-65.8-30.4000115.4F1108F1108-D1110 VanDerWaalsContact C-N 3.3Å
1111I68.3Low77.8Confident41 Ų4166.3 Ų66.321%0.2134%0.336CS..SBendtrans-124.2114.6-176.6-52.9175.3000109.9M1113 L1116 S1168 I1220 E1222I1111-M1113 PolarHBondContact O-N 3.34Å; I1111-L1116 HydrophobicContact CG2-CD1 4.02Å; I1111-L1116 HydrophobicContact CG2-CD2 3.84Å; I1111-L1116 HydrophobicContact CG2-CG 3.84Å; I1111-S1168 WeakPolarHBondContact CG2-OG 3.5Å; I1111-I1220 HydrophobicContact CD1-CD1 4.4Å; I1111-E1222 HydrophobicContact CD1-CG 4.2Å
1112S76.1Confident77.9Confident57 Ų5763.7 Ų63.740%0.39933%0.326SS..  trans-63.3130.5176.5-179.60000111D1114 N1115S1112-D1114 PolarHBondContact O-N 3.33Å; S1112-D1114 VanDerWaalsContact O-N 3.08Å; S1112-D1114 WeakPolarHBondContact OG-CB 3.37Å; S1112-D1114 PolarHBondContact OG-N 3.09Å; S1112-D1114 VanDerWaalsContact OG-N 3.15Å; S1112-D1114 PolarHBondContact OG-OD2 3.45Å; S1112-D1114 VanDerWaalsContact OG-OD2 3.09Å; S1112-N1115 PolarHBondContact O-N 3.12Å
1113M76.7Confident77.9Confident84 Ų8464.1 Ų64.141%0.41433%0.329SS..G310 helixtrans-56.8-20170.5-73-68.5-73.500113A1080 I1111 N1115 L1116A1080-M1113 HydrophobicContact CB-CE 3.58Å; A1080-M1113 HydrophobicContact CB-SD 4.26Å; I1111-M1113 PolarHBondContact O-N 3.34Å; M1113-N1115 PolarHBondContact O-N 2.98Å; M1113-L1116 HydrophobicContact SD-CD1 3.98Å
1114D74.7Confident78Confident82 Ų8263.5 Ų63.544%0.43932%0.323SS..G310 helixtrans-63.1-28.6173.9-66.1-48.5000112.4K1081 S1112K1081-D1114 WeakPolarHBondContact CD-OD1 3.45Å; K1081-D1114 WeakPolarHBondContact CE-OD1 3.49Å; K1081-D1114 IonicContact NZ-OD1 2.68Å; K1081-D1114 PolarHBondContact NZ-OD1 2.89Å; K1081-D1114 IonicContact NZ-OD2 3.97Å; S1112-D1114 PolarHBondContact O-N 3.33Å; S1112-D1114 VanDerWaalsContact O-N 3.08Å; S1112-D1114 WeakPolarHBondContact OG-CB 3.37Å; S1112-D1114 PolarHBondContact OG-N 3.09Å; S1112-D1114 VanDerWaalsContact OG-N 3.15Å; S1112-D1114 PolarHBondContact OG-OD2 3.45Å; S1112-D1114 VanDerWaalsContact OG-OD2 3.09Å
1115N85.3Confident78.6Confident82 Ų8260.9 Ų60.944%0.43931%0.31SS..G310 helixtrans-106.16.8-174.1-64.2-15.4000113S1112 M1113 Y1167 S1168S1112-N1115 PolarHBondContact O-N 3.12Å; M1113-N1115 PolarHBondContact O-N 2.98Å; N1115-Y1167 CarbonylContact O-C 3.48Å; N1115-Y1167 WeakPolarHBondContact O-CA 3.44Å; N1115-Y1167 WeakPolarHBondContact O-CD1 3.2Å; N1115-S1168 WeakPolarHBondContact CB-OG 3.45Å; N1115-S1168 PolarHBondContact O-N 3.21Å; N1115-S1168 PolarHBondContact O-OG 2.86Å; N1115-S1168 VanDerWaalsContact O-OG 3.11Å
1116L90.4Very high78.8Confident0 Ų053.7 Ų53.70%028%0.281CS..EExtended strand (participates in β ladder)trans-100.7141.6178.1-71.9175000111.2A1080 I1111 M1113 I1171 I1220A1080-L1116 HydrophobicContact CB-CB 3.83Å; A1080-L1116 WeakPolarHBondContact CB-O 3.44Å; A1080-L1116 PolarHBondContact N-O 3.35Å; I1111-L1116 HydrophobicContact CG2-CD1 4.02Å; I1111-L1116 HydrophobicContact CG2-CD2 3.84Å; I1111-L1116 HydrophobicContact CG2-CG 3.84Å; M1113-L1116 HydrophobicContact SD-CD1 3.98Å; L1116-I1171 HydrophobicContact CD1-CG2 4.34Å; L1116-I1220 HydrophobicContact CD2-CD1 4.26Å
1117L93.3Very high78.7Confident0 Ų050.8 Ų50.80%026%0.263CS..EExtended strand (participates in β ladder)trans-104.7134.2170.3-163.978.2000109.3I1050 L1158 A1162 Y1167 G1169 V1170 I1171I1050-L1117 HydrophobicContact CB-CD2 4.31Å; I1050-L1117 HydrophobicContact CD1-CD2 3.67Å; I1050-L1117 HydrophobicContact CG1-CD2 4.1Å; L1117-L1158 HydrophobicContact CD2-CD1 3.67Å; L1117-L1158 HydrophobicContact CD2-CG 4.42Å; L1117-A1162 HydrophobicContact CD2-CB 4.06Å; L1117-Y1167 HydrophobicContact CB-CD1 3.97Å; L1117-Y1167 HydrophobicContact CB-CE1 4.27Å; L1117-Y1167 HydrophobicContact CB-CG 4.14Å; L1117-Y1167 HydrophobicContact CD1-CD1 4.36Å; L1117-Y1167 HydrophobicContact CD1-CD2 4.49Å; L1117-Y1167 HydrophobicContact CD1-CE1 3.85Å; L1117-Y1167 HydrophobicContact CD1-CE2 3.97Å; L1117-G1169 PolarHBondContact N-O 3.46Å; L1117-V1170 HydrophobicContact CB-CG2 4.28Å; L1117-V1170 HydrophobicContact CD2-CG2 4.49Å; L1117-V1170 CarbonylContact O-C 3.57Å; L1117-V1170 VanDerWaalsContact O-CA 3.23Å; L1117-V1170 WeakPolarHBondContact O-CA 3.11Å; L1117-I1171 PolarHBondContact O-N 3.46Å
1118A93Very high78Confident6 Ų648 Ų485%0.0526%0.256CS..EExtended strand (participates in β ladder)trans-113.5112.4-178.300000110.9S1077 L1078 A1080 V1083 Q1120 I1171S1077-A1118 VanDerWaalsContact CA-O 3.31Å; S1077-A1118 WeakPolarHBondContact CA-O 3.38Å; L1078-A1118 PolarHBondContact N-O 2.75Å; L1078-A1118 PolarHBondContact O-N 2.83Å; A1080-A1118 HydrophobicContact CB-CB 4.06Å; V1083-A1118 HydrophobicContact CG2-CB 3.87Å; A1118-Q1120 VanDerWaalsContact CB-NE2 3.29Å; A1118-Q1120 PolarHBondContact O-N 3.39Å; A1118-Q1120 PolarHBondContact O-NE2 3.15Å; A1118-I1171 CarbonylContact C-O 3.51Å; A1118-I1171 WeakPolarHBondContact CA-O 3.49Å; A1118-I1171 HydrophobicContact CB-CD1 3.87Å; A1118-I1171 HydrophobicContact CB-CG1 3.6Å
1119T94.9Very high77.2Confident5 Ų548 Ų483%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-69.9117.7173.3-59.40000109.8I1075 S1077 L1158 I1171I1075-T1119 HydrophobicContact CD1-CG2 3.98Å; I1075-T1119 HydrophobicContact CG1-CG2 3.88Å; S1077-T1119 WeakPolarHBondContact OG-CA 3.1Å; S1077-T1119 PolarHBondContact OG-OG1 3.32Å; T1119-L1158 VanDerWaalsContact OG1-CD2 3.27Å; T1119-L1158 WeakPolarHBondContact OG1-CD2 3.3Å; T1119-I1171 PolarHBondContact N-O 2.84Å
1120Q92Very high76.5Confident43 Ų4343.5 Ų43.520%0.20124%0.236CC..EExtended strand (participates in β ladder)trans-93.6-44.4-176.7-59.7-52-57.700111.8F1040 I1076 L1078 A1118F1040-Q1120 HydrophobicContact CD1-CB 4.33Å; F1040-Q1120 HydrophobicContact CD1-CG 3.98Å; F1040-Q1120 HydrophobicContact CD2-CB 3.95Å; F1040-Q1120 HydrophobicContact CD2-CG 4.49Å; F1040-Q1120 HydrophobicContact CE1-CB 4.33Å; F1040-Q1120 HydrophobicContact CE1-CG 4.02Å; F1040-Q1120 HydrophobicContact CE2-CB 3.93Å; F1040-Q1120 HydrophobicContact CE2-CG 4.49Å; F1040-Q1120 HydrophobicContact CG-CB 4.15Å; F1040-Q1120 HydrophobicContact CG-CG 4.23Å; F1040-Q1120 HydrophobicContact CZ-CB 4.12Å; F1040-Q1120 HydrophobicContact CZ-CG 4.26Å; I1076-Q1120 PolarHBondContact O-N 3.28Å; L1078-Q1120 HydrophobicContact CD1-CG 4.16Å; L1078-Q1120 HydrophobicContact CG-CG 4.27Å; A1118-Q1120 VanDerWaalsContact CB-NE2 3.29Å; A1118-Q1120 PolarHBondContact O-N 3.39Å; A1118-Q1120 PolarHBondContact O-NE2 3.15Å
1121M92.5Very high75.4Confident17 Ų1741.2 Ų41.28%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-147.5137-176-69.7-175.7161.500110.8L1012 F1016 A1036 I1037 F1040 I1075 I1076L1012-M1121 HydrophobicContact CD2-CB 4.32Å; F1016-M1121 HydrophobicContact CE2-CB 4.26Å; F1016-M1121 HydrophobicContact CE2-CG 4.3Å; F1016-M1121 HydrophobicContact CE2-SD 4.38Å; F1016-M1121 HydrophobicContact CZ-CB 4.31Å; F1016-M1121 HydrophobicContact CZ-CG 4.16Å; A1036-M1121 HydrophobicContact CB-CE 4.2Å; I1037-M1121 HydrophobicContact CB-SD 4.45Å; I1037-M1121 HydrophobicContact CD1-SD 4.39Å; I1037-M1121 HydrophobicContact CG1-CE 3.96Å; I1037-M1121 HydrophobicContact CG1-SD 3.4Å; I1037-M1121 WeakPolarHBondContact CG1-SD 3.21Å; F1040-M1121 HydrophobicContact CD2-CE 4.34Å; F1040-M1121 HydrophobicContact CD2-CG 4.39Å; F1040-M1121 HydrophobicContact CD2-SD 4.15Å; F1040-M1121 HydrophobicContact CE2-CE 4.05Å; F1040-M1121 HydrophobicContact CE2-CG 4.37Å; F1040-M1121 HydrophobicContact CE2-SD 4.36Å; I1075-M1121 CarbonylContact C-O 3.57Å; I1075-M1121 WeakPolarHBondContact CA-O 3.03Å; I1076-M1121 PolarHBondContact N-O 2.99Å; I1076-M1121 PolarHBondContact O-N 3.11Å
1122V92Very high74Confident26 Ų2648.9 Ų48.916%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-137.2131169.8630000109V1074 I1075 L1151 T1179V1074-V1122 WeakPolarHBondContact O-CA 3.12Å; I1075-V1122 HydrophobicContact CB-CB 4.34Å; I1075-V1122 HydrophobicContact CB-CG2 4.03Å; I1075-V1122 HydrophobicContact CD1-CB 4.26Å; I1075-V1122 HydrophobicContact CD1-CG2 4.11Å; I1075-V1122 HydrophobicContact CG1-CB 4.04Å; I1075-V1122 HydrophobicContact CG1-CG2 4.12Å; V1122-L1151 HydrophobicContact CG2-CD2 3.66Å; V1122-T1179 HydrophobicContact CG1-CG2 3.9Å
1123A89.2Confident72.5Confident9 Ų948.8 Ų48.87%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-153.8153.7176.900000113.1L1012 A1015 F1016 G1073 V1074L1012-A1123 HydrophobicContact CD2-CB 3.69Å; A1015-A1123 HydrophobicContact CB-CB 3.39Å; F1016-A1123 HydrophobicContact CD2-CB 4.41Å; F1016-A1123 HydrophobicContact CE2-CB 4.13Å; G1073-A1123 CarbonylContact C-O 3.53Å; G1073-A1123 WeakPolarHBondContact CA-O 3.47Å; V1074-A1123 PolarHBondContact N-O 3.02Å; V1074-A1123 PolarHBondContact O-N 2.87Å
1124I87Confident70.8Confident16 Ų1653.9 Ų53.98%0.08228%0.283CS..EExtended strand (participates in β ladder)trans-131.9128.6174.7-56.7-168.2000109.1V1072 S1147 L1150 L1151 L1154V1072-I1124 CarbonylContact O-C 3.47Å; V1072-I1124 VanDerWaalsContact O-CA 3.3Å; V1072-I1124 WeakPolarHBondContact O-CA 3.28Å; V1072-I1124 WeakPolarHBondContact O-CG2 3.43Å; I1124-S1147 VanDerWaalsContact CD1-O 3.32Å; I1124-S1147 WeakPolarHBondContact CD1-O 3.36Å; I1124-L1150 HydrophobicContact CD1-CB 3.28Å; I1124-L1150 HydrophobicContact CD1-CD1 4.36Å; I1124-L1150 HydrophobicContact CD1-CG 4.43Å; I1124-L1150 HydrophobicContact CG2-CD1 4.41Å; I1124-L1151 HydrophobicContact CD1-CB 4.28Å; I1124-L1151 HydrophobicContact CD1-CD2 3.95Å; I1124-L1151 HydrophobicContact CD1-CG 3.58Å; I1124-L1151 HydrophobicContact CG1-CD2 3.95Å; I1124-L1151 HydrophobicContact CG1-CG 4.07Å; I1124-L1154 HydrophobicContact CD1-CD1 4.38Å; I1124-L1154 HydrophobicContact CG1-CD1 4.42Å
1125T80.5Confident69.4Low4 Ų452.3 Ų52.33%0.02527%0.272CS..  trans-101.4145.1177.871.30000111V1011 N1014 A1015 V1072 Q1127 W1143V1011-T1125 HydrophobicContact CB-CG2 4.2Å; V1011-T1125 HydrophobicContact CG1-CG2 3.64Å; V1011-T1125 WeakPolarHBondContact O-CG2 3.24Å; N1014-T1125 HydrophobicContact CB-CG2 4.45Å; A1015-T1125 HydrophobicContact CB-CG2 3.88Å; V1072-T1125 PolarHBondContact O-N 2.96Å; T1125-Q1127 VanDerWaalsContact C-N 3.32Å; T1125-Q1127 PolarHBondContact O-N 2.84Å; T1125-W1143 VanDerWaalsContact O-CZ2 3.25Å; T1125-W1143 WeakPolarHBondContact O-CZ2 3.3Å
1126S66.7Low67.5Low19 Ų1950.3 Ų50.313%0.13326%0.261CS..  trans-95.157172.170.20000110.5R242 S1128 W1143R242-S1126 PolarHBondContact NH2-OG 2.8Å; R242-S1126 VanDerWaalsContact NH2-OG 3.14Å; S1126-S1128 PolarHBondContact O-N 2.86Å; S1126-W1143 VanDerWaalsContact CA-NE1 3.31Å; S1126-W1143 VanDerWaalsContact CB-NE1 3.25Å
1127Q57.2Low65.3Low76 Ų7657.6 Ų57.636%0.35530%0.295SS..  trans-95.596.9176.9-72.7-155.32.500111N1014 T1125N1014-Q1127 PolarHBondContact ND2-NE2 2.85Å; T1125-Q1127 VanDerWaalsContact C-N 3.32Å; T1125-Q1127 PolarHBondContact O-N 2.84Å
1128S47.1Very low63.2Low55 Ų5562.2 Ų62.239%0.38531%0.313SS..  trans-70.3139167.1172.10000111.1S1126 Y1130 L1136S1126-S1128 PolarHBondContact O-N 2.86Å; S1128-Y1130 VanDerWaalsContact C-N 3.28Å; S1128-Y1130 PolarHBondContact O-N 3.16Å; S1128-Y1130 PolarHBondContact OG-N 3.34Å; S1128-L1136 WeakPolarHBondContact OG-CD1 3.23Å
1129P43.7Very low61Low44 Ų4462.7 Ų62.729%0.28632%0.315SS..SBendtrans-77.63.7174.127.2-28.6000115.5
1130Y42.7Very low58.9Low88 Ų8865.5 Ų65.535%0.34533%0.329SS..  trans-134.1108.6-176.2-64-74.7000112.9S1128 K1132 L1136S1128-Y1130 VanDerWaalsContact C-N 3.28Å; S1128-Y1130 PolarHBondContact O-N 3.16Å; S1128-Y1130 PolarHBondContact OG-N 3.34Å; Y1130-K1132 VanDerWaalsContact C-N 3.34Å; Y1130-K1132 PolarHBondContact O-N 3.23Å; Y1130-L1136 WeakPolarHBondContact O-CD1 3.5Å
1131S40.1Very low57Low111 Ų11164.7 Ų64.778%0.77633%0.328SS*.SBendtrans-84.77.1-175.386.80000115.3
1132K38.5Very low55.5Low202 Ų20266.3 Ų66.388%0.87834%0.337SS*.SBendtrans-140.610.2-171.2-69.8-169.6177.4-176.70117.5Y1130Y1130-K1132 VanDerWaalsContact C-N 3.34Å; Y1130-K1132 PolarHBondContact O-N 3.23Å
1133S44.4Very low54.4Low55 Ų5566.2 Ų66.239%0.38533%0.334SS..  trans-106.6140.3-176.21760000113.4Y1135 L1136S1133-Y1135 PolarHBondContact O-N 3.23Å; S1133-Y1135 VanDerWaalsContact O-N 3.14Å; S1133-Y1135 WeakPolarHBondContact OG-CB 2.99Å; S1133-Y1135 PolarHBondContact OG-N 3.35Å; S1133-L1136 WeakPolarHBondContact O-CB 2.87Å; S1133-L1136 PolarHBondContact O-N 3.19Å
1134K42.7Very low53.1Low191 Ų19173.6 Ų73.683%0.8336%0.364SS*.THydrogen-bonded Turntrans-54.7-26.7170.3-80.3-176.1175.6-178.50113L1136 Q1137K1134-L1136 PolarHBondContact O-N 2.85Å; K1134-Q1137 PolarHBondContact O-N 3.21Å; K1134-Q1137 VanDerWaalsContact O-N 3.14Å
1135Y44Very low52.1Low49 Ų4977.6 Ų77.619%0.19238%0.381CS..Hα-helixtrans-57.4-26.5172.2-170.3-102.3000112.9Y988 S1133 Q1137 Y1138 M1139Y988-Y1135 AromaticContact CD2-CE1 3.9Å; Y988-Y1135 HydrophobicContact CD2-CE1 3.9Å; Y988-Y1135 AromaticContact CD2-CZ 3.71Å; Y988-Y1135 WeakPolarHBondContact CD2-OH 3.21Å; Y988-Y1135 HydrophobicContact CE2-CD1 4.33Å; Y988-Y1135 AromaticContact CE2-CE1 3.38Å; Y988-Y1135 HydrophobicContact CE2-CE1 3.38Å; Y988-Y1135 HydrophobicContact CE2-CE2 4.37Å; Y988-Y1135 AromaticContact CE2-CZ 3.43Å; Y988-Y1135 VanDerWaalsContact CE2-CZ 3.43Å; Y988-Y1135 VanDerWaalsContact CE2-OH 3.29Å; Y988-Y1135 WeakPolarHBondContact CE2-OH 3.41Å; Y988-Y1135 AromaticContact CZ-CE1 3.99Å; S1133-Y1135 PolarHBondContact O-N 3.23Å; S1133-Y1135 VanDerWaalsContact O-N 3.14Å; S1133-Y1135 WeakPolarHBondContact OG-CB 2.99Å; S1133-Y1135 PolarHBondContact OG-N 3.35Å; Y1135-Q1137 VanDerWaalsContact C-N 3.34Å; Y1135-Q1137 PolarHBondContact O-N 2.9Å; Y1135-Y1138 PolarHBondContact O-N 3.31Å; Y1135-M1139 HydrophobicContact CD1-CG 4.02Å; Y1135-M1139 HydrophobicContact CE1-CG 3.55Å; Y1135-M1139 HydrophobicContact CE1-SD 4.35Å; Y1135-M1139 PolarHBondContact O-N 2.88Å
1136L45.8Very low51.7Low41 Ų4178.4 Ų78.422%0.21539%0.385CS..Hα-helixtrans-62.9-37.1177.1-160.878.7000112.6S1128 Y1130 S1133 K1134 M1139 L1140S1128-L1136 WeakPolarHBondContact OG-CD1 3.23Å; Y1130-L1136 WeakPolarHBondContact O-CD1 3.5Å; S1133-L1136 WeakPolarHBondContact O-CB 2.87Å; S1133-L1136 PolarHBondContact O-N 3.19Å; K1134-L1136 PolarHBondContact O-N 2.85Å; L1136-M1139 PolarHBondContact O-N 2.91Å; L1136-L1140 HydrophobicContact CD2-CD1 3.79Å; L1136-L1140 HydrophobicContact CG-CD1 3.68Å; L1136-L1140 HydrophobicContact CG-CG 4.14Å; L1136-L1140 WeakPolarHBondContact O-CB 3.19Å; L1136-L1140 WeakPolarHBondContact O-CG 3.17Å; L1136-L1140 PolarHBondContact O-N 3.4Å
1137Q45.2Very low52.2Low153 Ų15378.4 Ų78.472%0.71539%0.385SS*.Hα-helixtrans-68.7-38.4-177.2-73.8-174.2-15.400111.7K1134 Y1135 S1141K1134-Q1137 PolarHBondContact O-N 3.21Å; K1134-Q1137 VanDerWaalsContact O-N 3.14Å; Y1135-Q1137 VanDerWaalsContact C-N 3.34Å; Y1135-Q1137 PolarHBondContact O-N 2.9Å; Q1137-S1141 WeakPolarHBondContact O-CB 3.4Å; Q1137-S1141 PolarHBondContact O-N 2.89Å; Q1137-S1141 PolarHBondContact O-OG 3.09Å
1138Y48.5Very low53.2Low97 Ų9778.7 Ų78.738%0.3839%0.389SS..Hα-helixtrans-68.2-44174.9-178.9-94.1000112.3Y1135 S1141 N1142Y1135-Y1138 PolarHBondContact O-N 3.31Å; Y1138-S1141 PolarHBondContact O-N 3.11Å; Y1138-S1141 PolarHBondContact O-OG 2.95Å; Y1138-N1142 PolarHBondContact O-N 3.24Å
1139M46.9Very low54.8Low16 Ų1680.8 Ų80.88%0.07939%0.391CS..Hα-helixtrans-65.9-38.7176.2-80.1-73.9-75.600112.1L971 Y1056 Y1135 L1136 W1143L971-M1139 HydrophobicContact CD1-CE 4.16Å; L971-M1139 HydrophobicContact CD2-CE 4.2Å; Y1056-M1139 HydrophobicContact CE2-CE 3.85Å; Y1135-M1139 HydrophobicContact CD1-CG 4.02Å; Y1135-M1139 HydrophobicContact CE1-CG 3.55Å; Y1135-M1139 HydrophobicContact CE1-SD 4.35Å; Y1135-M1139 PolarHBondContact O-N 2.88Å; L1136-M1139 PolarHBondContact O-N 2.91Å; M1139-W1143 HydrophobicContact CE-CE3 4.42Å; M1139-W1143 HydrophobicContact CE-CZ3 4.07Å; M1139-W1143 WeakPolarHBondContact O-CB 3.23Å; M1139-W1143 PolarHBondContact O-N 3.14Å
1140L50.7Low56.8Low63 Ų6378.7 Ų78.733%0.3338%0.377SS..Hα-helixtrans-70.7-36.5177.9-74.9172000112.6L1136 N1142 W1143L1136-L1140 HydrophobicContact CD2-CD1 3.79Å; L1136-L1140 HydrophobicContact CG-CD1 3.68Å; L1136-L1140 HydrophobicContact CG-CG 4.14Å; L1136-L1140 WeakPolarHBondContact O-CB 3.19Å; L1136-L1140 WeakPolarHBondContact O-CG 3.17Å; L1136-L1140 PolarHBondContact O-N 3.4Å; L1140-N1142 VanDerWaalsContact C-N 3.3Å; L1140-N1142 PolarHBondContact O-N 2.91Å; L1140-W1143 PolarHBondContact O-N 2.85Å
1141S51.9Low59Low27 Ų2775.6 Ų75.619%0.18937%0.367CS..Hα-helixtrans-65.9-34177.170.60000111.9Q1137 Y1138Q1137-S1141 WeakPolarHBondContact O-CB 3.4Å; Q1137-S1141 PolarHBondContact O-N 2.89Å; Q1137-S1141 PolarHBondContact O-OG 3.09Å; Y1138-S1141 PolarHBondContact O-N 3.11Å; Y1138-S1141 PolarHBondContact O-OG 2.95Å
1142N60.9Low61.2Low50 Ų5071.4 Ų71.427%0.26734%0.336SS..Hα-helixtrans-89.8-10.5176.9-76.2-32.2000114.6Y1138 L1140 K1144 K1145 I1146Y1138-N1142 PolarHBondContact O-N 3.24Å; L1140-N1142 VanDerWaalsContact C-N 3.3Å; L1140-N1142 PolarHBondContact O-N 2.91Å; N1142-K1144 PolarHBondContact O-N 3.44Å; N1142-K1144 VanDerWaalsContact O-N 3.15Å; N1142-K1145 WeakPolarHBondContact O-CB 3.28Å; N1142-K1145 PolarHBondContact O-N 2.84Å; N1142-I1146 HydrophobicContact CB-CD1 4.08Å; N1142-I1146 WeakPolarHBondContact O-CG1 3.28Å; N1142-I1146 PolarHBondContact O-N 2.89Å
1143W68.5Low63.5Low25 Ų2563.8 Ų63.810%0.09530%0.302CS..Hα-helixtrans-61.3-29.9-172.2-163.1-99.6000113.6I990 V1072 T1125 S1126 M1139 L1140 I1146 S1147I990-W1143 HydrophobicContact CD1-CH2 4.48Å; V1072-W1143 HydrophobicContact CB-CH2 4.42Å; V1072-W1143 HydrophobicContact CB-CZ2 4.4Å; V1072-W1143 HydrophobicContact CG1-CH2 4.22Å; V1072-W1143 HydrophobicContact CG1-CZ2 4.48Å; T1125-W1143 VanDerWaalsContact O-CZ2 3.25Å; T1125-W1143 WeakPolarHBondContact O-CZ2 3.3Å; S1126-W1143 VanDerWaalsContact CA-NE1 3.31Å; S1126-W1143 VanDerWaalsContact CB-NE1 3.25Å; M1139-W1143 HydrophobicContact CE-CE3 4.42Å; M1139-W1143 HydrophobicContact CE-CZ3 4.07Å; M1139-W1143 WeakPolarHBondContact O-CB 3.23Å; M1139-W1143 PolarHBondContact O-N 3.14Å; L1140-W1143 PolarHBondContact O-N 2.85Å; W1143-I1146 HydrophobicContact CE3-CB 4.45Å; W1143-I1146 HydrophobicContact CE3-CD1 4.18Å; W1143-I1146 HydrophobicContact CE3-CG2 4.2Å; W1143-I1146 HydrophobicContact CZ3-CG2 4.14Å; W1143-I1146 PolarHBondContact O-N 2.85Å; W1143-S1147 VanDerWaalsContact CD1-OG 3.22Å; W1143-S1147 PolarHBondContact NE1-OG 2.98Å; W1143-S1147 VanDerWaalsContact O-CB 3.26Å; W1143-S1147 WeakPolarHBondContact O-CB 3.45Å; W1143-S1147 PolarHBondContact O-N 2.99Å; W1143-S1147 PolarHBondContact O-OG 3.29Å
1144K62.6Low65.8Low163 Ų16361.2 Ų61.271%0.70928%0.284SS*.Hα-helixtrans-62.6-46173.4-75.3-176.5178.9177.90111.7N1142 S1147 L1148N1142-K1144 PolarHBondContact O-N 3.44Å; N1142-K1144 VanDerWaalsContact O-N 3.15Å; K1144-S1147 PolarHBondContact O-N 3.21Å; K1144-L1148 PolarHBondContact O-N 3.27Å; K1144-L1148 VanDerWaalsContact O-N 3.1Å
1145K65Low68.3Low100 Ų10052.4 Ų52.444%0.43525%0.246SC..Hα-helixtrans-64.2-41.7176-168.6-174.2-176.5-168.70110.8E973 N1142 K1149E973-K1145 IonicContact OE1-NZ 3.3Å; E973-K1145 PolarHBondContact OE1-NZ 3.04Å; N1142-K1145 WeakPolarHBondContact O-CB 3.28Å; N1142-K1145 PolarHBondContact O-N 2.84Å; K1145-K1149 WeakPolarHBondContact O-CG 3.46Å; K1145-K1149 PolarHBondContact O-N 2.87Å; K1145-K1149 VanDerWaalsContact O-N 3.08Å
1146I72Confident70.6Confident21 Ų2155.4 Ų55.411%0.10826%0.257CS..Hα-helixtrans-65.4-43.1177.1-66.8162.8000111.1L971 I990 N1142 W1143 L1148 K1149 L1150L971-I1146 HydrophobicContact CD2-CD1 3.74Å; L971-I1146 HydrophobicContact CD2-CG1 4.27Å; L971-I1146 HydrophobicContact CD2-CG2 4.03Å; I990-I1146 HydrophobicContact CD1-CG2 4.23Å; N1142-I1146 HydrophobicContact CB-CD1 4.08Å; N1142-I1146 WeakPolarHBondContact O-CG1 3.28Å; N1142-I1146 PolarHBondContact O-N 2.89Å; W1143-I1146 HydrophobicContact CE3-CB 4.45Å; W1143-I1146 HydrophobicContact CE3-CD1 4.18Å; W1143-I1146 HydrophobicContact CE3-CG2 4.2Å; W1143-I1146 HydrophobicContact CZ3-CG2 4.14Å; W1143-I1146 PolarHBondContact O-N 2.85Å; I1146-L1148 PolarHBondContact O-N 3.18Å; I1146-K1149 PolarHBondContact O-N 3.3Å; I1146-L1150 HydrophobicContact CG2-CD1 3.56Å; I1146-L1150 HydrophobicContact CG2-CG 4.33Å; I1146-L1150 WeakPolarHBondContact O-CB 3.32Å; I1146-L1150 WeakPolarHBondContact O-CD1 3.26Å; I1146-L1150 WeakPolarHBondContact O-CG 3.28Å; I1146-L1150 PolarHBondContact O-N 2.71Å
1147S78.6Confident72.7Confident19 Ų1953.5 Ų53.513%0.13325%0.247CC..Hα-helixtrans-62.1-44.2178.7-60.20000111.5I1124 W1143 K1144 L1150 L1151I1124-S1147 VanDerWaalsContact CD1-O 3.32Å; I1124-S1147 WeakPolarHBondContact CD1-O 3.36Å; W1143-S1147 VanDerWaalsContact CD1-OG 3.22Å; W1143-S1147 PolarHBondContact NE1-OG 2.98Å; W1143-S1147 VanDerWaalsContact O-CB 3.26Å; W1143-S1147 WeakPolarHBondContact O-CB 3.45Å; W1143-S1147 PolarHBondContact O-N 2.99Å; W1143-S1147 PolarHBondContact O-OG 3.29Å; K1144-S1147 PolarHBondContact O-N 3.21Å; S1147-L1150 PolarHBondContact O-N 2.79Å; S1147-L1151 PolarHBondContact O-N 3.01Å
1148L78.4Confident75Confident83 Ų8346.2 Ų46.244%0.43521%0.213SC..Hα-helixtrans-62.2-47.7175.3-114.3134.8000111.4K1144 I1146 L1150 L1151 T1152 V1178 V1182K1144-L1148 PolarHBondContact O-N 3.27Å; K1144-L1148 VanDerWaalsContact O-N 3.1Å; I1146-L1148 PolarHBondContact O-N 3.18Å; L1148-L1150 VanDerWaalsContact C-N 3.3Å; L1148-L1150 PolarHBondContact O-N 2.8Å; L1148-L1151 PolarHBondContact O-N 2.89Å; L1148-T1152 PolarHBondContact O-N 2.8Å; L1148-T1152 PolarHBondContact O-OG1 2.82Å; L1148-V1178 HydrophobicContact CG-CG1 4.36Å; L1148-V1182 HydrophobicContact CD2-CG2 4.35Å
1149K79.5Confident77.2Confident99 Ų9942.5 Ų42.543%0.4320%0.199SC..Hα-helixtrans-57.5-42.3175.7-76.4-179176.6-175.20112.2K1145 I1146 R1153K1145-K1149 WeakPolarHBondContact O-CG 3.46Å; K1145-K1149 PolarHBondContact O-N 2.87Å; K1145-K1149 VanDerWaalsContact O-N 3.08Å; I1146-K1149 PolarHBondContact O-N 3.3Å; K1149-R1153 VanDerWaalsContact O-CB 3.27Å; K1149-R1153 WeakPolarHBondContact O-CB 2.95Å; K1149-R1153 PolarHBondContact O-N 2.85Å
1150L85.7Confident79.2Confident0 Ų048 Ų480%022%0.219CC..Hα-helixtrans-67.8-43.9178.2-80158.7000112.3I969 I990 A1054 I1124 I1146 S1147 L1148 R1153 L1154I969-L1150 HydrophobicContact CD1-CD2 3.64Å; I969-L1150 HydrophobicContact CD1-CG 4.22Å; I990-L1150 HydrophobicContact CB-CD2 4.3Å; I990-L1150 HydrophobicContact CD1-CD1 3.73Å; I990-L1150 HydrophobicContact CD1-CD2 4.13Å; I990-L1150 HydrophobicContact CD1-CG 4.37Å; I990-L1150 HydrophobicContact CG2-CD2 3.59Å; A1054-L1150 HydrophobicContact CB-CD2 3.96Å; I1124-L1150 HydrophobicContact CD1-CB 3.28Å; I1124-L1150 HydrophobicContact CD1-CD1 4.36Å; I1124-L1150 HydrophobicContact CD1-CG 4.43Å; I1124-L1150 HydrophobicContact CG2-CD1 4.41Å; I1146-L1150 HydrophobicContact CG2-CD1 3.56Å; I1146-L1150 HydrophobicContact CG2-CG 4.33Å; I1146-L1150 WeakPolarHBondContact O-CB 3.32Å; I1146-L1150 WeakPolarHBondContact O-CD1 3.26Å; I1146-L1150 WeakPolarHBondContact O-CG 3.28Å; I1146-L1150 PolarHBondContact O-N 2.71Å; S1147-L1150 PolarHBondContact O-N 2.79Å; L1148-L1150 VanDerWaalsContact C-N 3.3Å; L1148-L1150 PolarHBondContact O-N 2.8Å; L1150-R1153 PolarHBondContact O-N 3.42Å; L1150-R1153 VanDerWaalsContact O-N 3.12Å; L1150-L1154 WeakPolarHBondContact O-CB 3.06Å; L1150-L1154 WeakPolarHBondContact O-CG 3.42Å; L1150-L1154 PolarHBondContact O-N 3.14Å
1151L88.6Confident81.1Confident23 Ų2346.7 Ų46.712%0.1221%0.212CC..Hα-helixtrans-59-51.4176-82171.6000110.2V1122 I1124 S1147 L1148 R1153 L1154 E1155 V1178 T1179 V1182V1122-L1151 HydrophobicContact CG2-CD2 3.66Å; I1124-L1151 HydrophobicContact CD1-CB 4.28Å; I1124-L1151 HydrophobicContact CD1-CD2 3.95Å; I1124-L1151 HydrophobicContact CD1-CG 3.58Å; I1124-L1151 HydrophobicContact CG1-CD2 3.95Å; I1124-L1151 HydrophobicContact CG1-CG 4.07Å; S1147-L1151 PolarHBondContact O-N 3.01Å; L1148-L1151 PolarHBondContact O-N 2.89Å; L1151-R1153 PolarHBondContact O-N 2.75Å; L1151-L1154 PolarHBondContact O-N 3.21Å; L1151-E1155 WeakPolarHBondContact O-CB 3.2Å; L1151-E1155 PolarHBondContact O-N 2.74Å; L1151-V1178 HydrophobicContact CD1-CG1 4.07Å; L1151-T1179 HydrophobicContact CD1-CG2 4.43Å; L1151-T1179 HydrophobicContact CD2-CG2 4.36Å; L1151-V1182 HydrophobicContact CB-CG2 4.41Å
1152T87.3Confident82.9Confident23 Ų2345.4 Ų45.414%0.14120%0.203CC..Hα-helixtrans-61.3-28.1177.2-47.20000112.1L1148 R1156 V1182 L1186L1148-T1152 PolarHBondContact O-N 2.8Å; L1148-T1152 PolarHBondContact O-OG1 2.82Å; T1152-R1156 WeakPolarHBondContact O-CB 3.5Å; T1152-R1156 PolarHBondContact O-N 3.33Å; T1152-V1182 HydrophobicContact CG2-CG1 4.47Å; T1152-L1186 HydrophobicContact CG2-CD1 4.47Å; T1152-L1186 HydrophobicContact CG2-CD2 4.28Å; T1152-L1186 HydrophobicContact CG2-CG 4.48Å
1153R87Confident84.3Confident42 Ų4244 Ų4416%0.15820%0.199CC..Hα-helixtrans-80.1-45178.1-167.566.2162.6132.6-3.6112.4N967 I969 I992 K1149 L1150 L1151 E1155 R1156 D1157N967-R1153 PolarHBondContact OD1-NH2 3.27Å; I969-R1153 HydrophobicContact CD1-CB 4.14Å; I969-R1153 HydrophobicContact CD1-CG 4.12Å; I992-R1153 HydrophobicContact CD1-CB 3.75Å; I992-R1153 HydrophobicContact CD1-CG 3.32Å; K1149-R1153 VanDerWaalsContact O-CB 3.27Å; K1149-R1153 WeakPolarHBondContact O-CB 2.95Å; K1149-R1153 PolarHBondContact O-N 2.85Å; L1150-R1153 PolarHBondContact O-N 3.42Å; L1150-R1153 VanDerWaalsContact O-N 3.12Å; L1151-R1153 PolarHBondContact O-N 2.75Å; R1153-E1155 VanDerWaalsContact C-N 3.33Å; R1153-E1155 PolarHBondContact O-N 3.1Å; R1153-R1156 PolarHBondContact O-N 2.92Å; R1153-D1157 IonicContact CZ-OD1 2.82Å; R1153-D1157 IonicContact CZ-OD2 2.66Å; R1153-D1157 IonicContact NE-OD1 2.97Å; R1153-D1157 IonicContact NE-OD2 3.66Å; R1153-D1157 IonicContact NH1-OD1 3.53Å; R1153-D1157 PolarHBondContact NH1-OD1 3.3Å; R1153-D1157 IonicContact NH1-OD2 3.35Å; R1153-D1157 WeakPolarHBondContact O-CB 3.38Å; R1153-D1157 PolarHBondContact O-N 2.91Å
1154L92.2Very high85.2Confident0 Ų051 Ų510%023%0.23CC..Hα-helixtrans-55.7-49.5174.6-79.3168.1000110.5I992 L1052 A1054 I1075 I1124 L1150 L1151 R1156 D1157 L1158I992-L1154 HydrophobicContact CD1-CD2 4.23Å; I992-L1154 HydrophobicContact CD1-CG 4.25Å; I992-L1154 HydrophobicContact CG1-CD2 4.25Å; I992-L1154 HydrophobicContact CG2-CD2 4.02Å; L1052-L1154 HydrophobicContact CB-CD2 3.87Å; A1054-L1154 HydrophobicContact CB-CD1 4.44Å; A1054-L1154 HydrophobicContact CB-CD2 4.28Å; I1075-L1154 HydrophobicContact CB-CB 4.47Å; I1075-L1154 HydrophobicContact CG2-CB 4.18Å; I1075-L1154 HydrophobicContact CG2-CD2 4.01Å; I1124-L1154 HydrophobicContact CD1-CD1 4.38Å; I1124-L1154 HydrophobicContact CG1-CD1 4.42Å; L1150-L1154 WeakPolarHBondContact O-CB 3.06Å; L1150-L1154 WeakPolarHBondContact O-CG 3.42Å; L1150-L1154 PolarHBondContact O-N 3.14Å; L1151-L1154 PolarHBondContact O-N 3.21Å; L1154-R1156 PolarHBondContact O-N 2.71Å; L1154-D1157 PolarHBondContact O-N 2.88Å; L1154-L1158 WeakPolarHBondContact O-CB 3.49Å; L1154-L1158 PolarHBondContact O-N 2.83Å
1155E94.4Very high86.4Confident6 Ų647.1 Ų47.13%0.02821%0.214CC..Hα-helixtrans-64.2-42179.9-164.165.7-148.600112I1075 L1151 R1153 L1158 L1159 V1182 L1186 Y1188I1075-E1155 WeakPolarHBondContact CD1-OE2 3.32Å; L1151-E1155 WeakPolarHBondContact O-CB 3.2Å; L1151-E1155 PolarHBondContact O-N 2.74Å; R1153-E1155 VanDerWaalsContact C-N 3.33Å; R1153-E1155 PolarHBondContact O-N 3.1Å; E1155-L1158 WeakPolarHBondContact O-CB 3.34Å; E1155-L1158 PolarHBondContact O-N 3.49Å; E1155-L1159 WeakPolarHBondContact O-CG 3.28Å; E1155-L1159 PolarHBondContact O-N 3.44Å; E1155-V1182 HydrophobicContact CB-CG1 4.34Å; E1155-L1186 HydrophobicContact CB-CD1 3.54Å; E1155-L1186 HydrophobicContact CG-CD1 3.46Å; E1155-L1186 VanDerWaalsContact CG-CD1 3.46Å; E1155-Y1188 HydrophobicContact CG-CE2 4.25Å; E1155-Y1188 VanDerWaalsContact OE1-CZ 3.31Å; E1155-Y1188 PolarHBondContact OE1-OH 3.19Å
1156R92Very high87.5Confident112 Ų11244.6 Ų44.642%0.42322%0.217SC..Hα-helixtrans-68.2-39178.2-170-168.6-31.9172.68.6112.9T1152 R1153 L1154 L1158 L1159 R1160 L1186T1152-R1156 WeakPolarHBondContact O-CB 3.5Å; T1152-R1156 PolarHBondContact O-N 3.33Å; R1153-R1156 PolarHBondContact O-N 2.92Å; L1154-R1156 PolarHBondContact O-N 2.71Å; R1156-L1158 VanDerWaalsContact C-N 3.33Å; R1156-L1159 PolarHBondContact O-N 2.95Å; R1156-R1160 WeakPolarHBondContact O-CB 3.35Å; R1156-R1160 PolarHBondContact O-N 2.95Å; R1156-L1186 HydrophobicContact CB-CD1 4.49Å; R1156-L1186 HydrophobicContact CB-CD2 4.21Å; R1156-L1186 HydrophobicContact CG-CD2 4.35Å
1157D90.8Very high88.4Confident2 Ų245 Ų451%0.01122%0.217CC..Hα-helixtrans-70-35.5176.9-74.7-10.7000110.6N967 L1052 R1153 L1154 R1160 I1161N967-D1157 VanDerWaalsContact ND2-CG 3.27Å; N967-D1157 PolarHBondContact ND2-OD1 2.82Å; N967-D1157 PolarHBondContact ND2-OD2 2.85Å; L1052-D1157 HydrophobicContact CD1-CB 3.82Å; R1153-D1157 IonicContact CZ-OD1 2.82Å; R1153-D1157 IonicContact CZ-OD2 2.66Å; R1153-D1157 IonicContact NE-OD1 2.97Å; R1153-D1157 IonicContact NE-OD2 3.66Å; R1153-D1157 IonicContact NH1-OD1 3.53Å; R1153-D1157 PolarHBondContact NH1-OD1 3.3Å; R1153-D1157 IonicContact NH1-OD2 3.35Å; R1153-D1157 WeakPolarHBondContact O-CB 3.38Å; R1153-D1157 PolarHBondContact O-N 2.91Å; L1154-D1157 PolarHBondContact O-N 2.88Å; D1157-R1160 PolarHBondContact O-N 2.96Å; D1157-I1161 WeakPolarHBondContact O-CB 3.12Å; D1157-I1161 WeakPolarHBondContact O-CD1 3.27Å; D1157-I1161 WeakPolarHBondContact O-CG1 3.17Å; D1157-I1161 PolarHBondContact O-N 2.72Å
1158L93.9Very high88.9Confident0 Ų045.6 Ų45.60%022%0.221CC..Hα-helixtrans-57.4-54.1169.5174.370.7000111I1050 L1052 I1075 S1077 L1117 T1119 L1154 E1155 R1156 R1160 I1161 A1162 V1170I1050-L1158 HydrophobicContact CB-CD1 3.66Å; I1050-L1158 HydrophobicContact CD1-CD1 3.96Å; I1050-L1158 HydrophobicContact CG1-CD1 4.4Å; I1050-L1158 HydrophobicContact CG2-CD1 3.68Å; L1052-L1158 HydrophobicContact CD1-CB 4.15Å; I1075-L1158 HydrophobicContact CD1-CB 4.37Å; I1075-L1158 HydrophobicContact CD1-CD2 3.63Å; I1075-L1158 HydrophobicContact CG1-CD2 4.29Å; S1077-L1158 WeakPolarHBondContact OG-CD1 2.97Å; S1077-L1158 WeakPolarHBondContact OG-CD2 3.32Å; L1117-L1158 HydrophobicContact CD2-CD1 3.67Å; L1117-L1158 HydrophobicContact CD2-CG 4.42Å; T1119-L1158 VanDerWaalsContact OG1-CD2 3.27Å; T1119-L1158 WeakPolarHBondContact OG1-CD2 3.3Å; L1154-L1158 WeakPolarHBondContact O-CB 3.49Å; L1154-L1158 PolarHBondContact O-N 2.83Å; E1155-L1158 WeakPolarHBondContact O-CB 3.34Å; E1155-L1158 PolarHBondContact O-N 3.49Å; R1156-L1158 VanDerWaalsContact C-N 3.33Å; L1158-R1160 VanDerWaalsContact C-N 3.27Å; L1158-R1160 PolarHBondContact O-N 3.39Å; L1158-I1161 PolarHBondContact O-N 2.62Å; L1158-A1162 VanDerWaalsContact O-CB 3.25Å; L1158-A1162 WeakPolarHBondContact O-CB 3.26Å; L1158-A1162 PolarHBondContact O-N 3.45Å; L1158-V1170 HydrophobicContact CD2-CG1 4.1Å
1159L93.5Very high89.5Confident19 Ų1941.6 Ų41.610%0.09920%0.2CC..Hα-helixtrans-55.5-43.1178.6-71.1176.3000112E1155 R1156 A1163 V1170 L1186 Y1188 K1221 L1223E1155-L1159 WeakPolarHBondContact O-CG 3.28Å; E1155-L1159 PolarHBondContact O-N 3.44Å; R1156-L1159 PolarHBondContact O-N 2.95Å; L1159-A1163 WeakPolarHBondContact O-CB 3.48Å; L1159-A1163 PolarHBondContact O-N 2.99Å; L1159-V1170 HydrophobicContact CD2-CB 3.97Å; L1159-V1170 HydrophobicContact CD2-CG2 3.73Å; L1159-L1186 HydrophobicContact CD1-CB 4.24Å; L1159-Y1188 HydrophobicContact CD1-CE2 4.01Å; L1159-Y1188 HydrophobicContact CD2-CE2 4.05Å; L1159-Y1188 WeakPolarHBondContact CD2-OH 3.44Å; L1159-Y1188 HydrophobicContact CG-CE2 4.37Å; L1159-K1221 HydrophobicContact CD1-CG 4.23Å; L1159-K1221 HydrophobicContact CD2-CB 3.92Å; L1159-K1221 HydrophobicContact CD2-CG 3.68Å; L1159-L1223 HydrophobicContact CB-CD2 4.29Å; L1159-L1223 HydrophobicContact CD2-CD2 4Å
1160R90.3Very high90.2Very high132 Ų13236.9 Ų36.950%0.49818%0.18SC..Hα-helixtrans-65.5-43.6178.6176.5-177.8-93.4164.6-8.5112.2R1156 D1157 L1158 K1164R1156-R1160 WeakPolarHBondContact O-CB 3.35Å; R1156-R1160 PolarHBondContact O-N 2.95Å; D1157-R1160 PolarHBondContact O-N 2.96Å; L1158-R1160 VanDerWaalsContact C-N 3.27Å; L1158-R1160 PolarHBondContact O-N 3.39Å; R1160-K1164 WeakPolarHBondContact O-CG 3.42Å; R1160-K1164 PolarHBondContact O-N 2.9Å; R1160-K1164 VanDerWaalsContact O-N 3.15Å
1161I89.5Confident90.6Very high35 Ų3537.3 Ų37.318%0.17918%0.182CC..Hα-helixtrans-70.4-40.3179.7-65.1164000109.7I1050 L1052 D1157 L1158 A1163 K1164 Q1165I1050-I1161 HydrophobicContact CD1-CB 3.96Å; I1050-I1161 HydrophobicContact CD1-CG2 3.58Å; I1050-I1161 HydrophobicContact CG1-CG2 4.09Å; I1050-I1161 HydrophobicContact CG2-CG2 4.23Å; L1052-I1161 HydrophobicContact CD1-CD1 4.17Å; L1052-I1161 HydrophobicContact CD2-CD1 3.5Å; L1052-I1161 VanDerWaalsContact CD2-CD1 3.5Å; L1052-I1161 HydrophobicContact CG-CD1 4.47Å; D1157-I1161 WeakPolarHBondContact O-CB 3.12Å; D1157-I1161 WeakPolarHBondContact O-CD1 3.27Å; D1157-I1161 WeakPolarHBondContact O-CG1 3.17Å; D1157-I1161 PolarHBondContact O-N 2.72Å; L1158-I1161 PolarHBondContact O-N 2.62Å; I1161-A1163 PolarHBondContact O-N 3.19Å; I1161-K1164 PolarHBondContact O-N 2.78Å; I1161-Q1165 HydrophobicContact CG2-CG 4.27Å; I1161-Q1165 WeakPolarHBondContact O-CB 3.16Å; I1161-Q1165 WeakPolarHBondContact O-CG 3.48Å; I1161-Q1165 PolarHBondContact O-N 3.15Å
1162A91Very high90.9Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-59.7-46.8176.300000111.8I1050 L1117 L1158 K1164 Q1165 G1166 Y1167 V1170 L1223I1050-A1162 HydrophobicContact CD1-CB 3.92Å; L1117-A1162 HydrophobicContact CD2-CB 4.06Å; L1158-A1162 VanDerWaalsContact O-CB 3.25Å; L1158-A1162 WeakPolarHBondContact O-CB 3.26Å; L1158-A1162 PolarHBondContact O-N 3.45Å; A1162-K1164 VanDerWaalsContact C-N 3.33Å; A1162-K1164 PolarHBondContact O-N 3.3Å; A1162-Q1165 CarbonylContact O-C 3.56Å; A1162-Q1165 PolarHBondContact O-N 2.86Å; A1162-Q1165 VanDerWaalsContact O-N 3.16Å; A1162-G1166 PolarHBondContact O-N 3.28Å; A1162-Y1167 HydrophobicContact CB-CD2 4.14Å; A1162-Y1167 WeakPolarHBondContact O-CD2 3.36Å; A1162-Y1167 PolarHBondContact O-N 3.34Å; A1162-V1170 HydrophobicContact CB-CG2 3.9Å; A1162-L1223 HydrophobicContact CB-CD1 3.68Å
1163A89.5Confident91.2Very high21 Ų2137.8 Ų37.817%0.17418%0.182CC..Hα-helixtrans-60.8-42.917600000111.6L1159 I1161 Q1165 G1166 L1223L1159-A1163 WeakPolarHBondContact O-CB 3.48Å; L1159-A1163 PolarHBondContact O-N 2.99Å; I1161-A1163 PolarHBondContact O-N 3.19Å; A1163-Q1165 VanDerWaalsContact C-N 3.3Å; A1163-Q1165 PolarHBondContact O-N 3.23Å; A1163-G1166 PolarHBondContact O-N 3.34Å; A1163-G1166 VanDerWaalsContact O-N 3.13Å; A1163-L1223 HydrophobicContact CB-CB 4.45Å; A1163-L1223 HydrophobicContact CB-CD1 4.2Å; A1163-L1223 HydrophobicContact CB-CD2 4.34Å
1164K86.8Confident91.4Very high172 Ų17236 Ų3675%0.74818%0.175SC*.Hα-helixtrans-64.7-31.8175.8-77.9-175.5175.3-168.80113.7R1160 I1161 A1162R1160-K1164 WeakPolarHBondContact O-CG 3.42Å; R1160-K1164 PolarHBondContact O-N 2.9Å; R1160-K1164 VanDerWaalsContact O-N 3.15Å; I1161-K1164 PolarHBondContact O-N 2.78Å; A1162-K1164 VanDerWaalsContact C-N 3.33Å; A1162-K1164 PolarHBondContact O-N 3.3Å
1165Q87.4Confident91.3Very high80 Ų8037.3 Ų37.337%0.37418%0.183SC..THydrogen-bonded Turntrans-83.82.9176.7-71.6-176.4-11.200112.8I1161 A1162 A1163 Y1167I1161-Q1165 HydrophobicContact CG2-CG 4.27Å; I1161-Q1165 WeakPolarHBondContact O-CB 3.16Å; I1161-Q1165 WeakPolarHBondContact O-CG 3.48Å; I1161-Q1165 PolarHBondContact O-N 3.15Å; A1162-Q1165 CarbonylContact O-C 3.56Å; A1162-Q1165 PolarHBondContact O-N 2.86Å; A1162-Q1165 VanDerWaalsContact O-N 3.16Å; A1163-Q1165 VanDerWaalsContact C-N 3.3Å; A1163-Q1165 PolarHBondContact O-N 3.23Å; Q1165-Y1167 HydrophobicContact CB-CD2 3.88Å; Q1165-Y1167 HydrophobicContact CB-CE2 3.84Å
1166G88.1Confident91Very high48 Ų4839.4 Ų39.450%0.49520%0.195SC..THydrogen-bonded Turntrans84.912.517400000115A1162 A1163A1162-G1166 PolarHBondContact O-N 3.28Å; A1163-G1166 PolarHBondContact O-N 3.34Å; A1163-G1166 VanDerWaalsContact O-N 3.13Å
1167Y91Very high90.6Very high29 Ų2937.8 Ų37.811%0.11419%0.192CC..  trans-69.5136.7172.1-67.3-81.1000110.5N1115 L1117 A1162 Q1165 G1169N1115-Y1167 CarbonylContact O-C 3.48Å; N1115-Y1167 WeakPolarHBondContact O-CA 3.44Å; N1115-Y1167 WeakPolarHBondContact O-CD1 3.2Å; L1117-Y1167 HydrophobicContact CB-CD1 3.97Å; L1117-Y1167 HydrophobicContact CB-CE1 4.27Å; L1117-Y1167 HydrophobicContact CB-CG 4.14Å; L1117-Y1167 HydrophobicContact CD1-CD1 4.36Å; L1117-Y1167 HydrophobicContact CD1-CD2 4.49Å; L1117-Y1167 HydrophobicContact CD1-CE1 3.85Å; L1117-Y1167 HydrophobicContact CD1-CE2 3.97Å; A1162-Y1167 HydrophobicContact CB-CD2 4.14Å; A1162-Y1167 WeakPolarHBondContact O-CD2 3.36Å; A1162-Y1167 PolarHBondContact O-N 3.34Å; Q1165-Y1167 HydrophobicContact CB-CD2 3.88Å; Q1165-Y1167 HydrophobicContact CB-CE2 3.84Å; Y1167-G1169 VanDerWaalsContact C-N 3.3Å
1168S89.1Confident90.3Very high31 Ų3140.5 Ų40.522%0.21721%0.209CC..SBendtrans-81.4-10.117856.50000113.1I1111 N1115 L1223I1111-S1168 WeakPolarHBondContact CG2-OG 3.5Å; N1115-S1168 WeakPolarHBondContact CB-OG 3.45Å; N1115-S1168 PolarHBondContact O-N 3.21Å; N1115-S1168 PolarHBondContact O-OG 2.86Å; N1115-S1168 VanDerWaalsContact O-OG 3.11Å; S1168-L1223 PolarHBondContact O-N 3.24Å
1169G91.7Very high90Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans179.2166.7177.200000113.8L1117 Y1167 K1221L1117-G1169 PolarHBondContact N-O 3.46Å; Y1167-G1169 VanDerWaalsContact C-N 3.3Å; G1169-K1221 CarbonylContact C-O 3.43Å; G1169-K1221 WeakPolarHBondContact CA-O 3.44Å
1170V95.1Very high89.9Confident0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-119.3130.7173.3-175.10000109.4L1117 L1158 L1159 A1162 Y1188 I1220 K1221 L1223L1117-V1170 HydrophobicContact CB-CG2 4.28Å; L1117-V1170 HydrophobicContact CD2-CG2 4.49Å; L1117-V1170 CarbonylContact O-C 3.57Å; L1117-V1170 VanDerWaalsContact O-CA 3.23Å; L1117-V1170 WeakPolarHBondContact O-CA 3.11Å; L1158-V1170 HydrophobicContact CD2-CG1 4.1Å; L1159-V1170 HydrophobicContact CD2-CB 3.97Å; L1159-V1170 HydrophobicContact CD2-CG2 3.73Å; A1162-V1170 HydrophobicContact CB-CG2 3.9Å; V1170-Y1188 HydrophobicContact CB-CE1 4.3Å; V1170-Y1188 HydrophobicContact CG1-CE1 4.35Å; V1170-Y1188 WeakPolarHBondContact CG1-OH 3.48Å; V1170-Y1188 WeakPolarHBondContact O-CE1 3.38Å; V1170-I1220 CarbonylContact O-C 3.55Å; V1170-I1220 WeakPolarHBondContact O-CA 3.21Å; V1170-K1221 PolarHBondContact N-O 2.98Å; V1170-K1221 PolarHBondContact O-N 2.87Å; V1170-L1223 HydrophobicContact CG2-CD1 3.93Å
1171I93.7Very high89.7Confident8 Ų839.1 Ų39.14%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-109.3148.8173.363.1175.2000110.3A1080 L1116 L1117 A1118 T1119 Y1218 M1219 I1220A1080-I1171 HydrophobicContact CB-CD1 4.03Å; L1116-I1171 HydrophobicContact CD1-CG2 4.34Å; L1117-I1171 PolarHBondContact O-N 3.46Å; A1118-I1171 CarbonylContact C-O 3.51Å; A1118-I1171 WeakPolarHBondContact CA-O 3.49Å; A1118-I1171 HydrophobicContact CB-CD1 3.87Å; A1118-I1171 HydrophobicContact CB-CG1 3.6Å; T1119-I1171 PolarHBondContact N-O 2.84Å; I1171-Y1218 HydrophobicContact CB-CE2 4.02Å; I1171-Y1218 HydrophobicContact CD1-CE2 4.23Å; I1171-Y1218 WeakPolarHBondContact CD1-OH 3.44Å; I1171-M1219 CarbonylContact C-O 3.49Å; I1171-M1219 VanDerWaalsContact CA-O 3.32Å; I1171-M1219 WeakPolarHBondContact CA-O 3.4Å; I1171-I1220 HydrophobicContact CG2-CB 4.08Å; I1171-I1220 HydrophobicContact CG2-CD1 3.87Å; I1171-I1220 HydrophobicContact CG2-CG1 3.81Å
1172T94.2Very high89.6Confident5 Ų537.7 Ų37.73%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-151148.4-179.2-175.80000111.7N1174 Y1188 M1219T1172-N1174 WeakPolarHBondContact CG2-ND2 3.4Å; T1172-Y1188 HydrophobicContact CG2-CD1 3.97Å; T1172-Y1188 HydrophobicContact CG2-CE1 3.82Å; T1172-M1219 HydrophobicContact CG2-CB 3.99Å; T1172-M1219 PolarHBondContact N-O 3.22Å; T1172-M1219 PolarHBondContact O-N 2.98Å
1173F92.9Very high89.7Confident52 Ų5237.8 Ų37.823%0.22820%0.202CC..EExtended strand (participates in β ladder)trans-104.9110.1169.3-66.6-80.7000108.8F1099 C1102 Y1218F1099-F1173 HydrophobicContact CD1-CB 4.48Å; F1099-F1173 HydrophobicContact CD1-CD1 4.49Å; F1099-F1173 HydrophobicContact CD1-CG 4.39Å; F1099-F1173 HydrophobicContact CE1-CB 4.4Å; C1102-F1173 HydrophobicContact CB-CD1 3.87Å; C1102-F1173 HydrophobicContact CB-CE1 3.65Å; F1173-Y1218 AromaticContact CD1-CD2 3.65Å; F1173-Y1218 HydrophobicContact CD1-CD2 3.65Å; F1173-Y1218 HydrophobicContact CD1-CG 4.19Å; F1173-Y1218 HydrophobicContact CD2-CD2 4.42Å; F1173-Y1218 AromaticContact CE1-CD2 3.25Å; F1173-Y1218 HydrophobicContact CE1-CD2 3.25Å; F1173-Y1218 AromaticContact CE1-CE2 3.9Å; F1173-Y1218 HydrophobicContact CE1-CE2 3.9Å; F1173-Y1218 AromaticContact CE1-CG 3.72Å; F1173-Y1218 HydrophobicContact CE1-CG 3.72Å; F1173-Y1218 HydrophobicContact CE2-CD2 4.09Å; F1173-Y1218 HydrophobicContact CE2-CE2 4.08Å; F1173-Y1218 HydrophobicContact CG-CD2 4.22Å; F1173-Y1218 AromaticContact CZ-CD2 3.49Å; F1173-Y1218 HydrophobicContact CZ-CD2 3.49Å; F1173-Y1218 VanDerWaalsContact CZ-CD2 3.49Å; F1173-Y1218 AromaticContact CZ-CE2 3.63Å; F1173-Y1218 HydrophobicContact CZ-CE2 3.63Å; F1173-Y1218 HydrophobicContact CZ-CG 4.29Å
1174N92.4Very high89.8Confident3 Ų339 Ų392%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-97.3107.2178.3-76.7-64.8000110.6T1172 T1179 E1180 C1183 C1216 S1217 M1219T1172-N1174 WeakPolarHBondContact CG2-ND2 3.4Å; N1174-T1179 VanDerWaalsContact OD1-C 3.23Å; N1174-T1179 WeakPolarHBondContact OD1-CB 3.44Å; N1174-T1179 PolarHBondContact OD1-O 2.61Å; N1174-T1179 PolarHBondContact OD1-OG1 2.63Å; N1174-E1180 HydrophobicContact CB-CB 3.8Å; N1174-E1180 HydrophobicContact CB-CG 4.35Å; N1174-E1180 PolarHBondContact OD1-N 2.7Å; N1174-C1183 PolarHBondContact ND2-SG 3.47Å; N1174-C1183 VanDerWaalsContact ND2-SG 3.37Å; N1174-C1216 WeakPolarHBondContact O-CA 3.19Å; N1174-S1217 PolarHBondContact N-O 2.8Å; N1174-S1217 PolarHBondContact O-N 3.01Å; N1174-M1219 HydrophobicContact CB-SD 4.48Å; N1174-M1219 PolarHBondContact ND2-SD 2.95Å
1175T89.3Confident89.9Confident29 Ų2936.8 Ų36.818%0.17820%0.201CC..  trans-93.7-8.4172.957.60000112.4L1022 F1099 C1216L1022-T1175 HydrophobicContact CD2-CG2 3.62Å; F1099-T1175 HydrophobicContact CE1-CG2 4Å; F1099-T1175 HydrophobicContact CZ-CG2 4.45Å; T1175-C1216 HydrophobicContact CG2-CB 4.15Å
1176N88.4Confident90Very high50 Ų5034.6 Ų34.627%0.26719%0.192SC..SBendtrans-116.3129.8177.8-168.9-63.8000110.2V1178 T1179 E1180N1176-V1178 PolarHBondContact O-N 3.35Å; N1176-V1178 WeakPolarHBondContact OD1-CB 3.34Å; N1176-V1178 PolarHBondContact OD1-N 3.08Å; N1176-T1179 HydrophobicContact CB-CG2 4.49Å; N1176-T1179 PolarHBondContact O-N 2.9Å; N1176-T1179 PolarHBondContact O-OG1 3.06Å; N1176-E1180 PolarHBondContact O-N 2.84Å
1177E84.5Confident90.2Very high78 Ų7834 Ų3436%0.36419%0.186SC..Hα-helixtrans-61-30.5-178.2-64.8170.5166.500112.8Q91 E1181Q91-E1177 PolarHBondContact NE2-OE2 3.3Å; E1177-E1181 WeakPolarHBondContact O-CB 3.3Å; E1177-E1181 PolarHBondContact O-N 2.61Å
1178V83.9Confident90.4Very high59 Ų5933.2 Ų33.236%0.35818%0.183SC..Hα-helixtrans-69.6-42.6178.5-179.10000110.8L1148 L1151 N1176 E1181 V1182L1148-V1178 HydrophobicContact CG-CG1 4.36Å; L1151-V1178 HydrophobicContact CD1-CG1 4.07Å; N1176-V1178 PolarHBondContact O-N 3.35Å; N1176-V1178 WeakPolarHBondContact OD1-CB 3.34Å; N1176-V1178 PolarHBondContact OD1-N 3.08Å; V1178-E1181 PolarHBondContact O-N 3.25Å; V1178-V1182 VanDerWaalsContact O-CG2 3.29Å; V1178-V1182 WeakPolarHBondContact O-CG2 3.27Å; V1178-V1182 PolarHBondContact O-N 2.96Å
1179T88.4Confident90.4Very high20 Ų2037.7 Ų37.712%0.12320%0.199CC..Hα-helixtrans-73.4-33.8178.360.30000111V1122 L1151 N1174 N1176 V1182 C1183V1122-T1179 HydrophobicContact CG1-CG2 3.9Å; L1151-T1179 HydrophobicContact CD1-CG2 4.43Å; L1151-T1179 HydrophobicContact CD2-CG2 4.36Å; N1174-T1179 VanDerWaalsContact OD1-C 3.23Å; N1174-T1179 WeakPolarHBondContact OD1-CB 3.44Å; N1174-T1179 PolarHBondContact OD1-O 2.61Å; N1174-T1179 PolarHBondContact OD1-OG1 2.63Å; N1176-T1179 HydrophobicContact CB-CG2 4.49Å; N1176-T1179 PolarHBondContact O-N 2.9Å; N1176-T1179 PolarHBondContact O-OG1 3.06Å; T1179-V1182 PolarHBondContact O-N 2.8Å; T1179-C1183 WeakPolarHBondContact O-CB 3.41Å; T1179-C1183 PolarHBondContact O-N 3.45Å; T1179-C1183 PolarHBondContact O-SG 3.17Å
1180E90.6Very high90.4Very high16 Ų1641 Ų418%0.07522%0.219CC..Hα-helixtrans-58.1-46.9170.5-171.2-178.2-170.400111.6N1174 N1176 C1183 S1184 R1215 S1217 M1219N1174-E1180 HydrophobicContact CB-CB 3.8Å; N1174-E1180 HydrophobicContact CB-CG 4.35Å; N1174-E1180 PolarHBondContact OD1-N 2.7Å; N1176-E1180 PolarHBondContact O-N 2.84Å; E1180-C1183 PolarHBondContact O-N 3.45Å; E1180-S1184 WeakPolarHBondContact O-CB 3.23Å; E1180-S1184 PolarHBondContact O-N 2.98Å; E1180-S1184 PolarHBondContact O-OG 2.87Å; E1180-R1215 VanDerWaalsContact CD-NH2 3.3Å; E1180-R1215 IonicContact OE1-CZ 3.37Å; E1180-R1215 IonicContact OE1-NH2 3.48Å; E1180-R1215 PolarHBondContact OE1-NH2 2.98Å; E1180-R1215 VanDerWaalsContact OE1-NH2 3.14Å; E1180-R1215 IonicContact OE2-CZ 2.92Å; E1180-R1215 IonicContact OE2-NE 2.88Å; E1180-R1215 PolarHBondContact OE2-NE 3.06Å; E1180-R1215 IonicContact OE2-NH2 3.46Å; E1180-R1215 PolarHBondContact OE2-NH2 3.16Å; E1180-S1217 VanDerWaalsContact OE1-CB 3.27Å; E1180-S1217 WeakPolarHBondContact OE1-CB 3.35Å; E1180-S1217 PolarHBondContact OE1-OG 3.37Å; E1180-M1219 HydrophobicContact CG-SD 3.93Å
1181E86.1Confident90.1Very high86 Ų8642.9 Ų42.940%0.40223%0.229SC..Hα-helixtrans-67.6-42.7178.5-178.158.5-151.900111.7E1177 V1178 C1183 S1184 Q1185E1177-E1181 WeakPolarHBondContact O-CB 3.3Å; E1177-E1181 PolarHBondContact O-N 2.61Å; V1178-E1181 PolarHBondContact O-N 3.25Å; E1181-C1183 VanDerWaalsContact C-N 3.32Å; E1181-C1183 PolarHBondContact O-N 2.82Å; E1181-S1184 WeakPolarHBondContact O-CB 3.27Å; E1181-S1184 PolarHBondContact O-N 2.98Å; E1181-S1184 VanDerWaalsContact O-N 3.16Å; E1181-Q1185 WeakPolarHBondContact O-CG 3.27Å; E1181-Q1185 PolarHBondContact O-N 3.19Å; E1181-Q1185 PolarHBondContact OE1-NE2 3.3Å
1182V88.1Confident89.9Confident5 Ų545.1 Ų45.13%0.0324%0.239CC..Hα-helixtrans-59.1-43.6174.6168.40000111.2L1148 L1151 T1152 E1155 V1178 T1179 Q1185 L1186L1148-V1182 HydrophobicContact CD2-CG2 4.35Å; L1151-V1182 HydrophobicContact CB-CG2 4.41Å; T1152-V1182 HydrophobicContact CG2-CG1 4.47Å; E1155-V1182 HydrophobicContact CB-CG1 4.34Å; V1178-V1182 VanDerWaalsContact O-CG2 3.29Å; V1178-V1182 WeakPolarHBondContact O-CG2 3.27Å; V1178-V1182 PolarHBondContact O-N 2.96Å; T1179-V1182 PolarHBondContact O-N 2.8Å; V1182-Q1185 PolarHBondContact O-N 2.78Å; V1182-L1186 HydrophobicContact CG1-CD1 4.1Å; V1182-L1186 WeakPolarHBondContact O-CG 3.04Å; V1182-L1186 PolarHBondContact O-N 3.19Å; V1182-L1186 VanDerWaalsContact O-N 3.07Å
1183C93.2Very high89.9Confident2 Ų247.9 Ų47.91%0.01426%0.256CS..Hα-helixtrans-63.2-44.2174.8-67.70000111.1N1174 T1179 E1180 E1181 Q1185 L1186 G1187 Y1188 M1219N1174-C1183 PolarHBondContact ND2-SG 3.47Å; N1174-C1183 VanDerWaalsContact ND2-SG 3.37Å; T1179-C1183 WeakPolarHBondContact O-CB 3.41Å; T1179-C1183 PolarHBondContact O-N 3.45Å; T1179-C1183 PolarHBondContact O-SG 3.17Å; E1180-C1183 PolarHBondContact O-N 3.45Å; E1181-C1183 VanDerWaalsContact C-N 3.32Å; E1181-C1183 PolarHBondContact O-N 2.82Å; C1183-Q1185 VanDerWaalsContact C-N 3.34Å; C1183-Q1185 PolarHBondContact O-N 2.94Å; C1183-L1186 CarbonylContact O-C 3.13Å; C1183-L1186 PolarHBondContact O-N 3.25Å; C1183-L1186 VanDerWaalsContact O-N 3.14Å; C1183-G1187 PolarHBondContact O-N 3.5Å; C1183-G1187 VanDerWaalsContact O-N 3.13Å; C1183-Y1188 HydrophobicContact CB-CD1 4.43Å; C1183-Y1188 HydrophobicContact CB-CD2 3.76Å; C1183-Y1188 HydrophobicContact CB-CE2 4.31Å; C1183-Y1188 HydrophobicContact CB-CG 3.81Å; C1183-Y1188 WeakPolarHBondContact O-CB 3.31Å; C1183-Y1188 WeakPolarHBondContact O-CD2 3.41Å; C1183-Y1188 PolarHBondContact O-N 3.47Å; C1183-M1219 HydrophobicContact CB-CE 3.95Å; C1183-M1219 HydrophobicContact CB-SD 3.88Å
1184S90.6Very high89.9Confident46 Ų4646.1 Ų46.132%0.32225%0.249SC..Hα-helixtrans-60-42.8178.4-60.10000111.7E1180 E1181 L1186 G1187 M1219E1180-S1184 WeakPolarHBondContact O-CB 3.23Å; E1180-S1184 PolarHBondContact O-N 2.98Å; E1180-S1184 PolarHBondContact O-OG 2.87Å; E1181-S1184 WeakPolarHBondContact O-CB 3.27Å; E1181-S1184 PolarHBondContact O-N 2.98Å; E1181-S1184 VanDerWaalsContact O-N 3.16Å; S1184-L1186 VanDerWaalsContact C-N 3.33Å; S1184-L1186 PolarHBondContact O-N 3.37Å; S1184-G1187 WeakPolarHBondContact O-CA 3.5Å; S1184-G1187 PolarHBondContact O-N 2.61Å; S1184-M1219 VanDerWaalsContact OG-CE 3.29Å; S1184-M1219 WeakPolarHBondContact OG-CE 3.34Å
1185Q88.6Confident89.9Confident125 Ų12549.6 Ų49.658%0.58427%0.266SS*.Hα-helixtrans-67.4-30.4176.1-71.2-178.98.700113.5E1181 V1182 C1183 G1187E1181-Q1185 WeakPolarHBondContact O-CG 3.27Å; E1181-Q1185 PolarHBondContact O-N 3.19Å; E1181-Q1185 PolarHBondContact OE1-NE2 3.3Å; V1182-Q1185 PolarHBondContact O-N 2.78Å; C1183-Q1185 VanDerWaalsContact C-N 3.34Å; C1183-Q1185 PolarHBondContact O-N 2.94Å; Q1185-G1187 PolarHBondContact O-N 3.04Å
1186L90.7Very high90.1Very high34 Ų3448.2 Ų48.218%0.17826%0.258CS..THydrogen-bonded Turntrans-80.52.8171.3-67171.5000112.3T1152 E1155 R1156 L1159 V1182 C1183 S1184 Y1188 K1221T1152-L1186 HydrophobicContact CG2-CD1 4.47Å; T1152-L1186 HydrophobicContact CG2-CD2 4.28Å; T1152-L1186 HydrophobicContact CG2-CG 4.48Å; E1155-L1186 HydrophobicContact CB-CD1 3.54Å; E1155-L1186 HydrophobicContact CG-CD1 3.46Å; E1155-L1186 VanDerWaalsContact CG-CD1 3.46Å; R1156-L1186 HydrophobicContact CB-CD1 4.49Å; R1156-L1186 HydrophobicContact CB-CD2 4.21Å; R1156-L1186 HydrophobicContact CG-CD2 4.35Å; L1159-L1186 HydrophobicContact CD1-CB 4.24Å; V1182-L1186 HydrophobicContact CG1-CD1 4.1Å; V1182-L1186 WeakPolarHBondContact O-CG 3.04Å; V1182-L1186 PolarHBondContact O-N 3.19Å; V1182-L1186 VanDerWaalsContact O-N 3.07Å; C1183-L1186 CarbonylContact O-C 3.13Å; C1183-L1186 PolarHBondContact O-N 3.25Å; C1183-L1186 VanDerWaalsContact O-N 3.14Å; S1184-L1186 VanDerWaalsContact C-N 3.33Å; S1184-L1186 PolarHBondContact O-N 3.37Å; L1186-Y1188 HydrophobicContact CB-CD2 4.31Å; L1186-Y1188 HydrophobicContact CB-CE2 4.43Å; L1186-K1221 WeakPolarHBondContact O-CE 3.38Å; L1186-K1221 PolarHBondContact O-NZ 3.24Å
1187G91.3Very high90.4Very high36 Ų3649.4 Ų49.437%0.37126%0.261SS..THydrogen-bonded Turntrans78.831.9172.900000114C1183 S1184 Q1185 K1221C1183-G1187 PolarHBondContact O-N 3.5Å; C1183-G1187 VanDerWaalsContact O-N 3.13Å; S1184-G1187 WeakPolarHBondContact O-CA 3.5Å; S1184-G1187 PolarHBondContact O-N 2.61Å; Q1185-G1187 PolarHBondContact O-N 3.04Å; G1187-K1221 WeakPolarHBondContact O-CD 3.4Å; G1187-K1221 PolarHBondContact O-NZ 2.73Å
1188Y94.5Very high90.7Very high12 Ų1249.5 Ų49.55%0.04727%0.27CS..PPolyproline II helixtrans-68.8143.4163.5-77.6-110.1000109.8E1155 L1159 V1170 T1172 C1183 L1186 M1219 I1220 K1221E1155-Y1188 HydrophobicContact CG-CE2 4.25Å; E1155-Y1188 VanDerWaalsContact OE1-CZ 3.31Å; E1155-Y1188 PolarHBondContact OE1-OH 3.19Å; L1159-Y1188 HydrophobicContact CD1-CE2 4.01Å; L1159-Y1188 HydrophobicContact CD2-CE2 4.05Å; L1159-Y1188 WeakPolarHBondContact CD2-OH 3.44Å; L1159-Y1188 HydrophobicContact CG-CE2 4.37Å; V1170-Y1188 HydrophobicContact CB-CE1 4.3Å; V1170-Y1188 HydrophobicContact CG1-CE1 4.35Å; V1170-Y1188 WeakPolarHBondContact CG1-OH 3.48Å; V1170-Y1188 WeakPolarHBondContact O-CE1 3.38Å; T1172-Y1188 HydrophobicContact CG2-CD1 3.97Å; T1172-Y1188 HydrophobicContact CG2-CE1 3.82Å; C1183-Y1188 HydrophobicContact CB-CD1 4.43Å; C1183-Y1188 HydrophobicContact CB-CD2 3.76Å; C1183-Y1188 HydrophobicContact CB-CE2 4.31Å; C1183-Y1188 HydrophobicContact CB-CG 3.81Å; C1183-Y1188 WeakPolarHBondContact O-CB 3.31Å; C1183-Y1188 WeakPolarHBondContact O-CD2 3.41Å; C1183-Y1188 PolarHBondContact O-N 3.47Å; L1186-Y1188 HydrophobicContact CB-CD2 4.31Å; L1186-Y1188 HydrophobicContact CB-CE2 4.43Å; Y1188-M1219 HydrophobicContact CD1-CB 4.14Å; Y1188-I1220 CarbonylContact C-O 3.55Å; Y1188-I1220 WeakPolarHBondContact CA-O 3.47Å; Y1188-I1220 VanDerWaalsContact CD1-C 3.44Å; Y1188-K1221 HydrophobicContact CD1-CB 3.61Å; Y1188-K1221 VanDerWaalsContact CD1-N 3.34Å; Y1188-K1221 HydrophobicContact CD2-CB 3.76Å; Y1188-K1221 HydrophobicContact CD2-CD 4.35Å; Y1188-K1221 HydrophobicContact CD2-CG 4.34Å; Y1188-K1221 HydrophobicContact CE1-CB 3.55Å; Y1188-K1221 HydrophobicContact CE2-CB 3.77Å; Y1188-K1221 HydrophobicContact CE2-CG 4.32Å; Y1188-K1221 HydrophobicContact CG-CB 3.71Å
1189K91.1Very high91.2Very high125 Ų12546.9 Ų46.954%0.54325%0.254SS..EExtended strand (participates in β ladder)trans-94.5133.6172.4-61.9174.6-171.5162.10109.3M1219 I1220 E1222K1189-M1219 CarbonylContact O-C 3.55Å; K1189-M1219 WeakPolarHBondContact O-CA 3.37Å; K1189-I1220 HydrophobicContact CB-CG2 4.37Å; K1189-I1220 PolarHBondContact N-O 3.31Å; K1189-I1220 PolarHBondContact O-N 3.04Å; K1189-E1222 IonicContact NZ-OE1 3.8Å; K1189-E1222 PolarHBondContact NZ-OE1 3.4Å
1190V91.3Very high91.5Very high71 Ų7146.4 Ų46.443%0.4325%0.25SS..EExtended strand (participates in β ladder)trans-75.5126.4170.3-177.70000108.8M1219V1190-M1219 HydrophobicContact CG2-CE 3.71Å; V1190-M1219 HydrophobicContact CG2-CG 4.12Å; V1190-M1219 HydrophobicContact CG2-SD 4.35Å
1191I89.1Confident91.6Very high39 Ų3950.2 Ų50.220%0.227%0.271CS..EExtended strand (participates in β ladder)trans-96-51.5179.8-65.1156.2000109.8F1108 Y1218 I1220F1108-I1191 HydrophobicContact CE1-CD1 3.96Å; F1108-I1191 HydrophobicContact CE2-CD1 4.47Å; F1108-I1191 HydrophobicContact CZ-CD1 3.42Å; F1108-I1191 VanDerWaalsContact CZ-CD1 3.42Å; F1108-I1191 HydrophobicContact CZ-CG1 4.45Å; I1191-Y1218 HydrophobicContact CB-CD1 3.88Å; I1191-Y1218 HydrophobicContact CB-CE1 4.44Å; I1191-Y1218 WeakPolarHBondContact CB-O 3.43Å; I1191-Y1218 HydrophobicContact CD1-CD1 3.78Å; I1191-Y1218 HydrophobicContact CD1-CE1 3.66Å; I1191-Y1218 HydrophobicContact CD1-CG 4.45Å; I1191-Y1218 HydrophobicContact CG1-CD1 4.5Å; I1191-Y1218 HydrophobicContact CG2-CD1 3.9Å; I1191-Y1218 HydrophobicContact CG2-CE1 4.24Å; I1191-Y1218 PolarHBondContact N-O 3.07Å; I1191-I1220 HydrophobicContact CD1-CB 3.61Å; I1191-I1220 HydrophobicContact CD1-CG2 3.45Å; I1191-I1220 VanDerWaalsContact CD1-CG2 3.45Å; I1191-I1220 HydrophobicContact CG1-CB 4.47Å; I1191-I1220 HydrophobicContact CG1-CG2 3.81Å
1192Q89.6Confident91.9Very high55 Ų5552 Ų5226%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-147.2143.5-180-179.5175.2-31.100109.7E1101 T1194 S1217 Y1218E1101-Q1192 PolarHBondContact O-NE2 3.3Å; E1101-Q1192 VanDerWaalsContact O-NE2 3.08Å; Q1192-T1194 PolarHBondContact NE2-OG1 3.03Å; Q1192-S1217 WeakPolarHBondContact O-CA 3.47Å; Q1192-Y1218 PolarHBondContact N-O 3.33Å; Q1192-Y1218 PolarHBondContact O-N 3.39Å
1193T92.4Very high92.1Very high63 Ų6354.7 Ų54.739%0.38729%0.29SS..EExtended strand (participates in β ladder)trans-119.8122.8169.3-58.60000108.8R1215 C1216 S1217T1193-R1215 HydrophobicContact CG2-CB 3.92Å; T1193-R1215 HydrophobicContact CG2-CG 4.07Å; T1193-C1216 WeakPolarHBondContact CA-O 3.49Å; T1193-S1217 PolarHBondContact OG1-OG 3.01Å; T1193-S1217 VanDerWaalsContact OG1-OG 3.05Å
1194T92.8Very high92Very high15 Ų1561.9 Ų61.99%0.09233%0.328CS..EExtended strand (participates in β ladder)trans-112.8131.7179.6-57.80000109.9F1098 E1101 C1102 Q1192 R1215 C1216F1098-T1194 HydrophobicContact CE2-CG2 4.11Å; E1101-T1194 HydrophobicContact CG-CG2 4.38Å; C1102-T1194 VanDerWaalsContact SG-CB 3.59Å; Q1192-T1194 PolarHBondContact NE2-OG1 3.03Å; T1194-R1215 CarbonylContact O-C 3.59Å; T1194-R1215 WeakPolarHBondContact O-CA 3.45Å; T1194-C1216 PolarHBondContact N-O 3.21Å; T1194-C1216 PolarHBondContact O-N 3.14Å
1195M94Very high92Very high76 Ų7663 Ų6337%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-83.4130.6175.5-64.6-61.3-62.200110.5K1197 S1198 F1199 E1212 R1215M1195-K1197 VanDerWaalsContact C-N 3.27Å; M1195-K1197 PolarHBondContact O-N 2.84Å; M1195-S1198 WeakPolarHBondContact O-CB 3.21Å; M1195-S1198 PolarHBondContact O-N 3.4Å; M1195-S1198 VanDerWaalsContact O-N 3.09Å; M1195-F1199 PolarHBondContact O-N 3.46Å; M1195-E1212 WeakPolarHBondContact CE-O 3.29Å; M1195-R1215 HydrophobicContact SD-CB 3.61Å
1196L93.6Very high91.8Very high0 Ų065.5 Ų65.50%035%0.346CS..Hα-helixtrans-59-40177.5-177.364.3000111.3L1022 A1025 F1098 S1198 F1199 M1200 L1207 I1214L1022-L1196 HydrophobicContact CD1-CD1 3.95Å; L1022-L1196 HydrophobicContact CD1-CD2 3.86Å; A1025-L1196 HydrophobicContact CB-CD2 3.83Å; F1098-L1196 HydrophobicContact CD1-CD1 4.36Å; F1098-L1196 HydrophobicContact CD2-CD1 4.07Å; F1098-L1196 HydrophobicContact CE1-CD1 4.24Å; F1098-L1196 HydrophobicContact CE2-CB 4.41Å; F1098-L1196 HydrophobicContact CE2-CD1 3.94Å; F1098-L1196 HydrophobicContact CG-CD1 4.28Å; F1098-L1196 HydrophobicContact CZ-CB 4.26Å; F1098-L1196 HydrophobicContact CZ-CD1 4.02Å; L1196-S1198 VanDerWaalsContact C-N 3.29Å; L1196-S1198 PolarHBondContact O-N 3.21Å; L1196-F1199 HydrophobicContact CD1-CD1 4.29Å; L1196-F1199 PolarHBondContact O-N 2.78Å; L1196-M1200 HydrophobicContact CD1-CG 4.03Å; L1196-M1200 HydrophobicContact CD1-SD 4.43Å; L1196-M1200 HydrophobicContact CG-CG 3.99Å; L1196-M1200 WeakPolarHBondContact O-CB 3.42Å; L1196-M1200 VanDerWaalsContact O-CG 3.27Å; L1196-M1200 WeakPolarHBondContact O-CG 3.36Å; L1196-M1200 PolarHBondContact O-N 3.16Å; L1196-L1207 HydrophobicContact CB-CD2 4.5Å; L1196-L1207 HydrophobicContact CD2-CD1 3.94Å; L1196-L1207 HydrophobicContact CD2-CD2 4.22Å; L1196-L1207 HydrophobicContact CG-CD1 4.42Å; L1196-L1207 HydrophobicContact CG-CD2 4.12Å; L1196-I1214 HydrophobicContact CB-CB 4Å; L1196-I1214 HydrophobicContact CB-CG2 4.08Å; L1196-I1214 WeakPolarHBondContact CB-O 3.41Å; L1196-I1214 HydrophobicContact CD2-CB 4.03Å; L1196-I1214 HydrophobicContact CD2-CD1 4Å; L1196-I1214 HydrophobicContact CD2-CG2 4.07Å; L1196-I1214 PolarHBondContact N-O 3.34Å
1197K93.5Very high91.7Very high75 Ų7564.7 Ų64.733%0.32634%0.342SS..Hα-helixtrans-54.9-43.5175.4-176177.4-174.4165.50112.5M1195 F1199 M1200 N1201 L1207 E1212M1195-K1197 VanDerWaalsContact C-N 3.27Å; M1195-K1197 PolarHBondContact O-N 2.84Å; K1197-F1199 VanDerWaalsContact C-N 3.35Å; K1197-M1200 PolarHBondContact O-N 3.2Å; K1197-N1201 WeakPolarHBondContact O-CB 3.29Å; K1197-N1201 PolarHBondContact O-N 3.38Å; K1197-N1201 PolarHBondContact O-ND2 3.18Å; K1197-N1201 PolarHBondContact O-OD1 3.37Å; K1197-L1207 HydrophobicContact CB-CD2 4.14Å; K1197-E1212 HydrophobicContact CD-CB 4.02Å; K1197-E1212 HydrophobicContact CD-CG 3.87Å; K1197-E1212 VanDerWaalsContact CE-OE1 3.27Å; K1197-E1212 WeakPolarHBondContact CE-OE1 3.12Å; K1197-E1212 HydrophobicContact CG-CG 4.41Å; K1197-E1212 IonicContact NZ-OE1 3.04Å; K1197-E1212 PolarHBondContact NZ-OE1 3.11Å; K1197-E1212 IonicContact NZ-OE2 2.71Å; K1197-E1212 PolarHBondContact NZ-OE2 3.46Å
1198S92.1Very high91.2Very high79 Ų7967.3 Ų67.355%0.55235%0.347SS*.Hα-helixtrans-64.9-41.9-179.7-169.20000111.4M1195 L1196 K1202M1195-S1198 WeakPolarHBondContact O-CB 3.21Å; M1195-S1198 PolarHBondContact O-N 3.4Å; M1195-S1198 VanDerWaalsContact O-N 3.09Å; L1196-S1198 VanDerWaalsContact C-N 3.29Å; L1196-S1198 PolarHBondContact O-N 3.21Å; S1198-K1202 PolarHBondContact O-N 2.95Å
1199F94.6Very high90.5Very high5 Ų570 Ų702%0.02237%0.366CS..Hα-helixtrans-66.4-47.3176.4171.9-100.8000112.3L1094 R1097 F1098 E1101 M1195 L1196 K1197 N1201 K1202 E1203L1094-F1199 HydrophobicContact CD1-CE1 3.67Å; L1094-F1199 HydrophobicContact CD1-CZ 3.86Å; L1094-F1199 HydrophobicContact CG-CE1 4.19Å; R1097-F1199 HydrophobicContact CB-CE2 4.07Å; R1097-F1199 HydrophobicContact CB-CZ 3.81Å; F1098-F1199 HydrophobicContact CB-CD1 3.96Å; F1098-F1199 HydrophobicContact CB-CE1 3.66Å; F1098-F1199 HydrophobicContact CB-CE2 4.27Å; F1098-F1199 HydrophobicContact CB-CG 4.38Å; F1098-F1199 HydrophobicContact CB-CZ 3.83Å; F1098-F1199 HydrophobicContact CD2-CB 3.75Å; F1098-F1199 AromaticContact CD2-CD1 3.62Å; F1098-F1199 HydrophobicContact CD2-CD1 3.62Å; F1098-F1199 HydrophobicContact CD2-CD2 4.11Å; F1098-F1199 HydrophobicContact CD2-CE1 4.23Å; F1098-F1199 AromaticContact CD2-CG 3.55Å; F1098-F1199 HydrophobicContact CD2-CG 3.55Å; F1098-F1199 HydrophobicContact CE2-CB 4.05Å; F1098-F1199 HydrophobicContact CE2-CG 4.34Å; F1098-F1199 HydrophobicContact CG-CD1 4.13Å; F1098-F1199 HydrophobicContact CG-CE1 4.32Å; F1098-F1199 HydrophobicContact CG-CG 4.4Å; E1101-F1199 HydrophobicContact CB-CD2 4.14Å; E1101-F1199 HydrophobicContact CB-CE2 4.48Å; E1101-F1199 HydrophobicContact CG-CD2 4.28Å; M1195-F1199 PolarHBondContact O-N 3.46Å; L1196-F1199 HydrophobicContact CD1-CD1 4.29Å; L1196-F1199 PolarHBondContact O-N 2.78Å; K1197-F1199 VanDerWaalsContact C-N 3.35Å; F1199-N1201 VanDerWaalsContact C-N 3.3Å; F1199-N1201 PolarHBondContact O-N 3.4Å; F1199-K1202 WeakPolarHBondContact O-CA 3.33Å; F1199-K1202 WeakPolarHBondContact O-CB 3.44Å; F1199-K1202 PolarHBondContact O-N 3.17Å; F1199-E1203 HydrophobicContact CD1-CG 4.41Å; F1199-E1203 HydrophobicContact CD2-CG 4.34Å; F1199-E1203 HydrophobicContact CE1-CG 3.93Å; F1199-E1203 HydrophobicContact CE2-CG 3.84Å; F1199-E1203 HydrophobicContact CZ-CG 3.61Å; F1199-E1203 PolarHBondContact O-N 3.23Å
1200M94.2Very high90Very high9 Ų967 Ų674%0.04435%0.354CS..Hα-helixtrans-61.5-39.4179.8-68-64.8-75.100111.9L1026 L1094 L1196 K1197 K1202 E1203 N1204 L1205 L1207L1026-M1200 HydrophobicContact CD2-CE 4.36Å; L1026-M1200 HydrophobicContact CD2-SD 4.05Å; L1094-M1200 HydrophobicContact CD2-SD 4.38Å; L1196-M1200 HydrophobicContact CD1-CG 4.03Å; L1196-M1200 HydrophobicContact CD1-SD 4.43Å; L1196-M1200 HydrophobicContact CG-CG 3.99Å; L1196-M1200 WeakPolarHBondContact O-CB 3.42Å; L1196-M1200 VanDerWaalsContact O-CG 3.27Å; L1196-M1200 WeakPolarHBondContact O-CG 3.36Å; L1196-M1200 PolarHBondContact O-N 3.16Å; K1197-M1200 PolarHBondContact O-N 3.2Å; M1200-K1202 VanDerWaalsContact C-N 3.33Å; M1200-K1202 PolarHBondContact O-N 3.26Å; M1200-E1203 CarbonylContact O-C 3.57Å; M1200-E1203 PolarHBondContact O-N 2.99Å; M1200-N1204 PolarHBondContact O-N 2.94Å; M1200-N1204 VanDerWaalsContact O-N 3.15Å; M1200-L1205 HydrophobicContact CE-CB 3.49Å; M1200-L1205 VanDerWaalsContact CE-CB 3.49Å; M1200-L1205 HydrophobicContact CE-CD1 4.16Å; M1200-L1205 HydrophobicContact CE-CG 4.49Å; M1200-L1205 PolarHBondContact O-N 3.43Å; M1200-L1205 HydrophobicContact SD-CB 4.26Å; M1200-L1205 HydrophobicContact SD-CD1 4.39Å; M1200-L1207 HydrophobicContact CB-CB 4.22Å; M1200-L1207 HydrophobicContact CE-CD1 4.47Å; M1200-L1207 HydrophobicContact CG-CB 4.27Å; M1200-L1207 HydrophobicContact CG-CD1 4.27Å; M1200-L1207 HydrophobicContact CG-CD2 4.29Å
1201N92.2Very high89.8Confident96 Ų9665.5 Ų65.551%0.51334%0.341SS..Hα-helixtrans-61.9-40.5173.5-72-8.1000112K1197 F1199 E1203 N1204K1197-N1201 WeakPolarHBondContact O-CB 3.29Å; K1197-N1201 PolarHBondContact O-N 3.38Å; K1197-N1201 PolarHBondContact O-ND2 3.18Å; K1197-N1201 PolarHBondContact O-OD1 3.37Å; F1199-N1201 VanDerWaalsContact C-N 3.3Å; F1199-N1201 PolarHBondContact O-N 3.4Å; N1201-E1203 VanDerWaalsContact C-N 3.33Å; N1201-N1204 PolarHBondContact O-N 2.77Å
1202K92.4Very high89.7Confident125 Ų12566.7 Ų66.754%0.54335%0.346SS..Hα-helixtrans-65.4-36177.1-170.4-176.4-179.2-175.50112E1101 S1198 F1199 M1200 N1204E1101-K1202 IonicContact OE1-NZ 3.62Å; E1101-K1202 PolarHBondContact OE1-NZ 3.24Å; E1101-K1202 IonicContact OE2-NZ 3.8Å; E1101-K1202 PolarHBondContact OE2-NZ 3.01Å; S1198-K1202 PolarHBondContact O-N 2.95Å; F1199-K1202 WeakPolarHBondContact O-CA 3.33Å; F1199-K1202 WeakPolarHBondContact O-CB 3.44Å; F1199-K1202 PolarHBondContact O-N 3.17Å; M1200-K1202 VanDerWaalsContact C-N 3.33Å; M1200-K1202 PolarHBondContact O-N 3.26Å; K1202-N1204 PolarHBondContact O-N 3.08Å
1203E92.2Very high89.5Confident60 Ų6072.5 Ų72.528%0.2837%0.365SS..THydrogen-bonded Turntrans-80.50.2176-66.9-74.9132.600113.4L1094 R1097 F1199 M1200 N1201 L1205L1094-E1203 HydrophobicContact CD1-CG 4.17Å; R1097-E1203 IonicContact CZ-OE2 3.26Å; R1097-E1203 VanDerWaalsContact CZ-OE2 3.26Å; R1097-E1203 IonicContact NE-OE1 3.51Å; R1097-E1203 IonicContact NE-OE2 2.91Å; R1097-E1203 PolarHBondContact NE-OE2 3.38Å; R1097-E1203 IonicContact NH2-OE2 2.75Å; R1097-E1203 PolarHBondContact NH2-OE2 3.06Å; F1199-E1203 HydrophobicContact CD1-CG 4.41Å; F1199-E1203 HydrophobicContact CD2-CG 4.34Å; F1199-E1203 HydrophobicContact CE1-CG 3.93Å; F1199-E1203 HydrophobicContact CE2-CG 3.84Å; F1199-E1203 HydrophobicContact CZ-CG 3.61Å; F1199-E1203 PolarHBondContact O-N 3.23Å; M1200-E1203 CarbonylContact O-C 3.57Å; M1200-E1203 PolarHBondContact O-N 2.99Å; N1201-E1203 VanDerWaalsContact C-N 3.33Å; E1203-L1205 VanDerWaalsContact C-N 3.27Å; E1203-L1205 HydrophobicContact CB-CD1 4.08Å; E1203-L1205 HydrophobicContact CB-CG 4.15Å; E1203-L1205 PolarHBondContact O-N 2.99Å
1204N92.3Very high89.4Confident153 Ų15369.9 Ų69.982%0.81835%0.349SS*.THydrogen-bonded Turntrans55.337.3-173.2-60.9-58.7000113.6M1200 N1201 K1202M1200-N1204 PolarHBondContact O-N 2.94Å; M1200-N1204 VanDerWaalsContact O-N 3.15Å; N1201-N1204 PolarHBondContact O-N 2.77Å; K1202-N1204 PolarHBondContact O-N 3.08Å
1205L89.7Confident89.4Confident71 Ų7173.9 Ų73.937%0.37236%0.362SS..  trans-110.8140.3178.2-65.7174.8000111.4L1094 M1200 E1203L1094-L1205 HydrophobicContact CD1-CD1 3.71Å; L1094-L1205 HydrophobicContact CD2-CD1 3.63Å; L1094-L1205 HydrophobicContact CG-CD1 4.36Å; M1200-L1205 HydrophobicContact CE-CB 3.49Å; M1200-L1205 VanDerWaalsContact CE-CB 3.49Å; M1200-L1205 HydrophobicContact CE-CD1 4.16Å; M1200-L1205 HydrophobicContact CE-CG 4.49Å; M1200-L1205 PolarHBondContact O-N 3.43Å; M1200-L1205 HydrophobicContact SD-CB 4.26Å; M1200-L1205 HydrophobicContact SD-CD1 4.39Å; E1203-L1205 VanDerWaalsContact C-N 3.27Å; E1203-L1205 HydrophobicContact CB-CD1 4.08Å; E1203-L1205 HydrophobicContact CB-CG 4.15Å; E1203-L1205 PolarHBondContact O-N 2.99Å
1206L84.4Confident89.4Confident176 Ų17670.2 Ų70.292%0.92134%0.344SS*.  trans-77.1127.4178.2-106.8143.1000111
1207L87.7Confident89.4Confident18 Ų1870.2 Ų70.29%0.09434%0.344CS..  trans-110.5134.4173.6-172.366000109.5A1025 L1196 K1197 M1200A1025-L1207 HydrophobicContact CB-CD1 4.18Å; L1196-L1207 HydrophobicContact CB-CD2 4.5Å; L1196-L1207 HydrophobicContact CD2-CD1 3.94Å; L1196-L1207 HydrophobicContact CD2-CD2 4.22Å; L1196-L1207 HydrophobicContact CG-CD1 4.42Å; L1196-L1207 HydrophobicContact CG-CD2 4.12Å; K1197-L1207 HydrophobicContact CB-CD2 4.14Å; M1200-L1207 HydrophobicContact CB-CB 4.22Å; M1200-L1207 HydrophobicContact CE-CD1 4.47Å; M1200-L1207 HydrophobicContact CG-CB 4.27Å; M1200-L1207 HydrophobicContact CG-CD1 4.27Å; M1200-L1207 HydrophobicContact CG-CD2 4.29Å
1208L81.4Confident89.4Confident90 Ų9067.1 Ų67.147%0.47133%0.331SS..  trans-68.1143.8177-69169000110.9Q1210 Y1211L1208-Q1210 HydrophobicContact CB-CG 4.34Å; L1208-Q1210 PolarHBondContact O-N 3.25Å; L1208-Q1210 VanDerWaalsContact O-N 3.1Å; L1208-Y1211 HydrophobicContact CB-CD2 3.91Å; L1208-Y1211 HydrophobicContact CB-CE2 4.28Å; L1208-Y1211 HydrophobicContact CD1-CD2 4.46Å; L1208-Y1211 HydrophobicContact CD1-CE2 4.07Å; L1208-Y1211 PolarHBondContact O-N 3.42Å
1209P79.6Confident89.5Confident69 Ų6963.3 Ų63.345%0.44830%0.304SS..G310 helixtrans-50.5-39.2-176.8-30.536000114.6Y1211 E1212P1209-Y1211 PolarHBondContact O-N 2.87Å; P1209-Y1211 VanDerWaalsContact O-N 3.1Å; P1209-E1212 WeakPolarHBondContact O-CB 3.19Å; P1209-E1212 PolarHBondContact O-N 3.46Å
1210Q82Confident89.4Confident61 Ų6163.5 Ų63.529%0.28531%0.305SS..G310 helixtrans-63.6-15.5179.870.5-146.754.200115E86 R1021 L1208E86-Q1210 PolarHBondContact OE2-OE1 2.71Å; R1021-Q1210 PolarHBondContact NH2-O 3.09Å; L1208-Q1210 HydrophobicContact CB-CG 4.34Å; L1208-Q1210 PolarHBondContact O-N 3.25Å; L1208-Q1210 VanDerWaalsContact O-N 3.1Å
1211Y87.3Confident89.4Confident40 Ų4065.6 Ų65.616%0.15731%0.314CS..G310 helixtrans-108-0.2-179.5-57.4-50.2000113.3H1024 A1025 L1208 P1209 R1213 I1214H1024-Y1211 HydrophobicContact CB-CE1 4.17Å; A1025-Y1211 HydrophobicContact CB-CD1 4.05Å; A1025-Y1211 HydrophobicContact CB-CD2 3.81Å; A1025-Y1211 HydrophobicContact CB-CE2 4.41Å; A1025-Y1211 HydrophobicContact CB-CG 3.62Å; L1208-Y1211 HydrophobicContact CB-CD2 3.91Å; L1208-Y1211 HydrophobicContact CB-CE2 4.28Å; L1208-Y1211 HydrophobicContact CD1-CD2 4.46Å; L1208-Y1211 HydrophobicContact CD1-CE2 4.07Å; L1208-Y1211 PolarHBondContact O-N 3.42Å; P1209-Y1211 PolarHBondContact O-N 2.87Å; P1209-Y1211 VanDerWaalsContact O-N 3.1Å; Y1211-R1213 PolarHBondContact O-N 2.87Å; Y1211-I1214 HydrophobicContact CD1-CD1 3.84Å; Y1211-I1214 HydrophobicContact CG-CD1 4.15Å; Y1211-I1214 WeakPolarHBondContact O-CB 3.39Å; Y1211-I1214 WeakPolarHBondContact O-CG1 3.48Å; Y1211-I1214 PolarHBondContact O-N 2.86Å; Y1211-I1214 VanDerWaalsContact O-N 3.1Å
1212E85.9Confident89.3Confident65 Ų6565.8 Ų65.830%0.30431%0.312SS..THydrogen-bonded Turntrans-63.6-25.8-177.4-73.8-166.7159.800114.3M1195 K1197 P1209 I1214M1195-E1212 WeakPolarHBondContact CE-O 3.29Å; K1197-E1212 HydrophobicContact CD-CB 4.02Å; K1197-E1212 HydrophobicContact CD-CG 3.87Å; K1197-E1212 VanDerWaalsContact CE-OE1 3.27Å; K1197-E1212 WeakPolarHBondContact CE-OE1 3.12Å; K1197-E1212 HydrophobicContact CG-CG 4.41Å; K1197-E1212 IonicContact NZ-OE1 3.04Å; K1197-E1212 PolarHBondContact NZ-OE1 3.11Å; K1197-E1212 IonicContact NZ-OE2 2.71Å; K1197-E1212 PolarHBondContact NZ-OE2 3.46Å; P1209-E1212 WeakPolarHBondContact O-CB 3.19Å; P1209-E1212 PolarHBondContact O-N 3.46Å; E1212-I1214 VanDerWaalsContact C-N 3.34Å
1213R86.1Confident89.2Confident176 Ų17660.9 Ų60.966%0.66429%0.292SS*.THydrogen-bonded Turntrans-85.5-3178.9-63.2-172.3-175.81803113.8E95 Y1211 R1215E95-R1213 IonicContact OE1-NH1 2.73Å; E95-R1213 PolarHBondContact OE1-NH1 2.81Å; Y1211-R1213 PolarHBondContact O-N 2.87Å; R1213-R1215 PolarHBondContact O-N 2.81Å
1214I89.5Confident88.4Confident8 Ų863.3 Ų63.34%0.04131%0.307CS..  trans-63.7127.7177.4-63.3176.8000108.8R1021 A1025 L1196 Y1211 E1212R1021-I1214 HydrophobicContact CB-CD1 3.76Å; R1021-I1214 HydrophobicContact CB-CG1 4.2Å; R1021-I1214 WeakPolarHBondContact O-CD1 3.28Å; A1025-I1214 HydrophobicContact CB-CD1 3.74Å; L1196-I1214 HydrophobicContact CB-CB 4Å; L1196-I1214 HydrophobicContact CB-CG2 4.08Å; L1196-I1214 WeakPolarHBondContact CB-O 3.41Å; L1196-I1214 HydrophobicContact CD2-CB 4.03Å; L1196-I1214 HydrophobicContact CD2-CD1 4Å; L1196-I1214 HydrophobicContact CD2-CG2 4.07Å; L1196-I1214 PolarHBondContact N-O 3.34Å; Y1211-I1214 HydrophobicContact CD1-CD1 3.84Å; Y1211-I1214 HydrophobicContact CG-CD1 4.15Å; Y1211-I1214 WeakPolarHBondContact O-CB 3.39Å; Y1211-I1214 WeakPolarHBondContact O-CG1 3.48Å; Y1211-I1214 PolarHBondContact O-N 2.86Å; Y1211-I1214 VanDerWaalsContact O-N 3.1Å; E1212-I1214 VanDerWaalsContact C-N 3.34Å
1215R93.2Very high86.8Confident99 Ų9961 Ų6137%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-127.1151.6174.674.1-172.4-169.1166.22.4109.7E1180 T1193 T1194 M1195 R1213E1180-R1215 VanDerWaalsContact CD-NH2 3.3Å; E1180-R1215 IonicContact OE1-CZ 3.37Å; E1180-R1215 IonicContact OE1-NH2 3.48Å; E1180-R1215 PolarHBondContact OE1-NH2 2.98Å; E1180-R1215 VanDerWaalsContact OE1-NH2 3.14Å; E1180-R1215 IonicContact OE2-CZ 2.92Å; E1180-R1215 IonicContact OE2-NE 2.88Å; E1180-R1215 PolarHBondContact OE2-NE 3.06Å; E1180-R1215 IonicContact OE2-NH2 3.46Å; E1180-R1215 PolarHBondContact OE2-NH2 3.16Å; T1193-R1215 HydrophobicContact CG2-CB 3.92Å; T1193-R1215 HydrophobicContact CG2-CG 4.07Å; T1194-R1215 CarbonylContact O-C 3.59Å; T1194-R1215 WeakPolarHBondContact O-CA 3.45Å; M1195-R1215 HydrophobicContact SD-CB 3.61Å; R1213-R1215 PolarHBondContact O-N 2.81Å
1216C94.3Very high85.1Confident0 Ų062.9 Ų62.90%032%0.319CS..EExtended strand (participates in β ladder)trans-118.2121.1171.8179.70000108.5F1098 N1174 T1175 T1193 T1194F1098-C1216 HydrophobicContact CE1-CB 3.71Å; F1098-C1216 HydrophobicContact CZ-CB 3.62Å; N1174-C1216 WeakPolarHBondContact O-CA 3.19Å; T1175-C1216 HydrophobicContact CG2-CB 4.15Å; T1193-C1216 WeakPolarHBondContact CA-O 3.49Å; T1194-C1216 PolarHBondContact N-O 3.21Å; T1194-C1216 PolarHBondContact O-N 3.14Å
1217S93.6Very high82.9Confident0 Ų061.5 Ų61.50%032%0.324CS..EExtended strand (participates in β ladder)trans-99.6115.7175.7-71.50000109.7N1174 E1180 Q1192 T1193N1174-S1217 PolarHBondContact N-O 2.8Å; N1174-S1217 PolarHBondContact O-N 3.01Å; E1180-S1217 VanDerWaalsContact OE1-CB 3.27Å; E1180-S1217 WeakPolarHBondContact OE1-CB 3.35Å; E1180-S1217 PolarHBondContact OE1-OG 3.37Å; Q1192-S1217 WeakPolarHBondContact O-CA 3.47Å; T1193-S1217 PolarHBondContact OG1-OG 3.01Å; T1193-S1217 VanDerWaalsContact OG1-OG 3.05Å
1218Y93.4Very high82.7Confident9 Ų963.7 Ų63.74%0.03534%0.336CS..EExtended strand (participates in β ladder)trans-82.3120.7170.6-178.9-129.6000109F1108 I1171 F1173 I1191 Q1192F1108-Y1218 AromaticContact CE2-CE1 3.73Å; F1108-Y1218 HydrophobicContact CE2-CE1 3.73Å; F1108-Y1218 WeakPolarHBondContact CE2-OH 3.47Å; F1108-Y1218 AromaticContact CZ-CE1 3.81Å; F1108-Y1218 HydrophobicContact CZ-CE1 3.81Å; I1171-Y1218 HydrophobicContact CB-CE2 4.02Å; I1171-Y1218 HydrophobicContact CD1-CE2 4.23Å; I1171-Y1218 WeakPolarHBondContact CD1-OH 3.44Å; F1173-Y1218 AromaticContact CD1-CD2 3.65Å; F1173-Y1218 HydrophobicContact CD1-CD2 3.65Å; F1173-Y1218 HydrophobicContact CD1-CG 4.19Å; F1173-Y1218 HydrophobicContact CD2-CD2 4.42Å; F1173-Y1218 AromaticContact CE1-CD2 3.25Å; F1173-Y1218 HydrophobicContact CE1-CD2 3.25Å; F1173-Y1218 AromaticContact CE1-CE2 3.9Å; F1173-Y1218 HydrophobicContact CE1-CE2 3.9Å; F1173-Y1218 AromaticContact CE1-CG 3.72Å; F1173-Y1218 HydrophobicContact CE1-CG 3.72Å; F1173-Y1218 HydrophobicContact CE2-CD2 4.09Å; F1173-Y1218 HydrophobicContact CE2-CE2 4.08Å; F1173-Y1218 HydrophobicContact CG-CD2 4.22Å; F1173-Y1218 AromaticContact CZ-CD2 3.49Å; F1173-Y1218 HydrophobicContact CZ-CD2 3.49Å; F1173-Y1218 VanDerWaalsContact CZ-CD2 3.49Å; F1173-Y1218 AromaticContact CZ-CE2 3.63Å; F1173-Y1218 HydrophobicContact CZ-CE2 3.63Å; F1173-Y1218 HydrophobicContact CZ-CG 4.29Å; I1191-Y1218 HydrophobicContact CB-CD1 3.88Å; I1191-Y1218 HydrophobicContact CB-CE1 4.44Å; I1191-Y1218 WeakPolarHBondContact CB-O 3.43Å; I1191-Y1218 HydrophobicContact CD1-CD1 3.78Å; I1191-Y1218 HydrophobicContact CD1-CE1 3.66Å; I1191-Y1218 HydrophobicContact CD1-CG 4.45Å; I1191-Y1218 HydrophobicContact CG1-CD1 4.5Å; I1191-Y1218 HydrophobicContact CG2-CD1 3.9Å; I1191-Y1218 HydrophobicContact CG2-CE1 4.24Å; I1191-Y1218 PolarHBondContact N-O 3.07Å; Q1192-Y1218 PolarHBondContact N-O 3.33Å; Q1192-Y1218 PolarHBondContact O-N 3.39Å
1219M94.2Very high82.8Confident0 Ų062.3 Ų62.30%033%0.328CS..EExtended strand (participates in β ladder)trans-131.6149.7-170.5-54.7178.977.200111.9I1171 T1172 N1174 E1180 C1183 S1184 Y1188 K1189 V1190I1171-M1219 CarbonylContact C-O 3.49Å; I1171-M1219 VanDerWaalsContact CA-O 3.32Å; I1171-M1219 WeakPolarHBondContact CA-O 3.4Å; T1172-M1219 HydrophobicContact CG2-CB 3.99Å; T1172-M1219 PolarHBondContact N-O 3.22Å; T1172-M1219 PolarHBondContact O-N 2.98Å; N1174-M1219 HydrophobicContact CB-SD 4.48Å; N1174-M1219 PolarHBondContact ND2-SD 2.95Å; E1180-M1219 HydrophobicContact CG-SD 3.93Å; C1183-M1219 HydrophobicContact CB-CE 3.95Å; C1183-M1219 HydrophobicContact CB-SD 3.88Å; S1184-M1219 VanDerWaalsContact OG-CE 3.29Å; S1184-M1219 WeakPolarHBondContact OG-CE 3.34Å; Y1188-M1219 HydrophobicContact CD1-CB 4.14Å; K1189-M1219 CarbonylContact O-C 3.55Å; K1189-M1219 WeakPolarHBondContact O-CA 3.37Å; V1190-M1219 HydrophobicContact CG2-CE 3.71Å; V1190-M1219 HydrophobicContact CG2-CG 4.12Å; V1190-M1219 HydrophobicContact CG2-SD 4.35Å
1220I92.5Very high82.9Confident8 Ų861.9 Ų61.94%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-129.6139.6176.5-172.5166.1000112.3F1108 I1111 L1116 V1170 I1171 Y1188 K1189 I1191F1108-I1220 HydrophobicContact CD1-CD1 4.23Å; F1108-I1220 HydrophobicContact CE1-CD1 3.52Å; F1108-I1220 HydrophobicContact CZ-CD1 4.26Å; I1111-I1220 HydrophobicContact CD1-CD1 4.4Å; L1116-I1220 HydrophobicContact CD2-CD1 4.26Å; V1170-I1220 CarbonylContact O-C 3.55Å; V1170-I1220 WeakPolarHBondContact O-CA 3.21Å; I1171-I1220 HydrophobicContact CG2-CB 4.08Å; I1171-I1220 HydrophobicContact CG2-CD1 3.87Å; I1171-I1220 HydrophobicContact CG2-CG1 3.81Å; Y1188-I1220 CarbonylContact C-O 3.55Å; Y1188-I1220 WeakPolarHBondContact CA-O 3.47Å; Y1188-I1220 VanDerWaalsContact CD1-C 3.44Å; K1189-I1220 HydrophobicContact CB-CG2 4.37Å; K1189-I1220 PolarHBondContact N-O 3.31Å; K1189-I1220 PolarHBondContact O-N 3.04Å; I1191-I1220 HydrophobicContact CD1-CB 3.61Å; I1191-I1220 HydrophobicContact CD1-CG2 3.45Å; I1191-I1220 VanDerWaalsContact CD1-CG2 3.45Å; I1191-I1220 HydrophobicContact CG1-CB 4.47Å; I1191-I1220 HydrophobicContact CG1-CG2 3.81Å
1221K93.8Very high83Confident53 Ų5362 Ų6223%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-114.5110.6163.9-176.470.4-175.6-170.70109.2L1159 G1169 V1170 L1186 G1187 Y1188 L1223L1159-K1221 HydrophobicContact CD1-CG 4.23Å; L1159-K1221 HydrophobicContact CD2-CB 3.92Å; L1159-K1221 HydrophobicContact CD2-CG 3.68Å; G1169-K1221 CarbonylContact C-O 3.43Å; G1169-K1221 WeakPolarHBondContact CA-O 3.44Å; V1170-K1221 PolarHBondContact N-O 2.98Å; V1170-K1221 PolarHBondContact O-N 2.87Å; L1186-K1221 WeakPolarHBondContact O-CE 3.38Å; L1186-K1221 PolarHBondContact O-NZ 3.24Å; G1187-K1221 WeakPolarHBondContact O-CD 3.4Å; G1187-K1221 PolarHBondContact O-NZ 2.73Å; Y1188-K1221 HydrophobicContact CD1-CB 3.61Å; Y1188-K1221 VanDerWaalsContact CD1-N 3.34Å; Y1188-K1221 HydrophobicContact CD2-CB 3.76Å; Y1188-K1221 HydrophobicContact CD2-CD 4.35Å; Y1188-K1221 HydrophobicContact CD2-CG 4.34Å; Y1188-K1221 HydrophobicContact CE1-CB 3.55Å; Y1188-K1221 HydrophobicContact CE2-CB 3.77Å; Y1188-K1221 HydrophobicContact CE2-CG 4.32Å; Y1188-K1221 HydrophobicContact CG-CB 3.71Å; K1221-L1223 HydrophobicContact CG-CD2 4.44Å
1222E91.1Very high82.7Confident101 Ų10163.4 Ų63.447%0.47233%0.334SS..EExtended strand (participates in β ladder)trans-68.6135.9168.1-66.7162.9-124.400109.5I1111 K1189I1111-E1222 HydrophobicContact CD1-CG 4.2Å; K1189-E1222 IonicContact NZ-OE1 3.8Å; K1189-E1222 PolarHBondContact NZ-OE1 3.4Å
1223L89.6Confident82.5Confident22 Ų2263.3 Ų63.312%0.11534%0.336CS..  trans-111.8127179.3-68.4174.8000108.7L1159 A1162 A1163 S1168 V1170 K1221 P1225L1159-L1223 HydrophobicContact CB-CD2 4.29Å; L1159-L1223 HydrophobicContact CD2-CD2 4Å; A1162-L1223 HydrophobicContact CB-CD1 3.68Å; A1163-L1223 HydrophobicContact CB-CB 4.45Å; A1163-L1223 HydrophobicContact CB-CD1 4.2Å; A1163-L1223 HydrophobicContact CB-CD2 4.34Å; S1168-L1223 PolarHBondContact O-N 3.24Å; V1170-L1223 HydrophobicContact CG2-CD1 3.93Å; K1221-L1223 HydrophobicContact CG-CD2 4.44Å; L1223-P1225 WeakPolarHBondContact O-CD 3.46Å
1224N76.2Confident82.3Confident111 Ų11155.2 Ų55.259%0.59431%0.313SS*.  trans-83.3121170.4-88.7-26.9000108.9S1226 S1227N1224-S1226 PolarHBondContact O-N 3.46Å; N1224-S1227 PolarHBondContact O-N 3Å; N1224-S1227 PolarHBondContact O-OG 3.02Å
1225P57.4Low81.7Confident103 Ų10358.8 Ų58.867%0.66933%0.334SS*.THydrogen-bonded Turntrans-61.9-14.9177.6-2031.2000113.4L1223L1223-P1225 WeakPolarHBondContact O-CD 3.46Å
1226S54Low80.7Confident112 Ų11255.5 Ų55.578%0.78333%0.331SS*.THydrogen-bonded Turntrans-97.91.5-175.144.90000115.4N1224N1224-S1226 PolarHBondContact O-N 3.46Å
1227S38.8Very low79.5Confident147 Ų14760.5 Ų60.5100%1.02836%0.361SS*.  trans-106.70-174.369.70000115.5N1224N1224-S1227 PolarHBondContact O-N 3Å; N1224-S1227 PolarHBondContact O-OG 3.02Å

Retrieved 1,227 of 1,227 residues in 1364.8 ms (Link to these results)

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