A0A3Q0KM85_SCHMA Loading...

ASMase_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,110 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
1M64.7Low78.6Confident197 Ų197114.2 Ų114.297%0.9760%0.597SS**  0-48.50-74.9-165.4179.200114H3 L4 R5M1-H3 PolarHBondContact O-N 3.34Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-R5 PolarHBondContact O-N 3.17Å; M1-R5 VanDerWaalsContact O-N 3.17Å
2L76Confident78.5Confident126 Ų126113.2 Ų113.266%0.6659%0.591SS**Hα-helixtrans-54.6-47.9-173.1-17461.9000114L4 R5 I6L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 2.95Å; L2-R5 WeakPolarHBondContact O-CB 3.49Å; L2-R5 PolarHBondContact O-N 3.27Å; L2-I6 HydrophobicContact CD1-CD1 4.4Å; L2-I6 HydrophobicContact CG-CD1 3.98Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 3.06Å
3H72.7Confident78.1Confident153 Ų153112.7 Ų112.771%0.70859%0.589SS**Hα-helixtrans-58.2-39.1175.4-75.1-64.1000113.8M1 R5 I6 V7M1-H3 PolarHBondContact O-N 3.34Å; H3-R5 VanDerWaalsContact C-N 3.33Å; H3-R5 PolarHBondContact O-N 3.45Å; H3-I6 PolarHBondContact O-N 3.34Å; H3-V7 WeakPolarHBondContact O-CB 3.34Å; H3-V7 WeakPolarHBondContact O-CG2 3.5Å; H3-V7 PolarHBondContact O-N 3.34Å
4L76.8Confident77.5Confident132 Ų132115.2 Ų115.269%0.69159%0.593SS**Hα-helixtrans-61.2-42.6174.1-98.576.1000111M1 L2 V7 S8M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.06Å; L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 2.95Å; L4-V7 PolarHBondContact O-N 3.43Å; L4-S8 WeakPolarHBondContact O-CB 3.37Å; L4-S8 PolarHBondContact O-N 3.3Å; L4-S8 PolarHBondContact O-OG 3.34Å; L4-S8 VanDerWaalsContact O-OG 3.04Å
5R78.3Confident76.7Confident172 Ų172114.6 Ų114.665%0.64959%0.591SS**Hα-helixtrans-63.5-41.6176.1-69.7-173.7176.7-178.5-1.2112M1 L2 H3 S8 I9M1-R5 PolarHBondContact O-N 3.17Å; M1-R5 VanDerWaalsContact O-N 3.17Å; L2-R5 WeakPolarHBondContact O-CB 3.49Å; L2-R5 PolarHBondContact O-N 3.27Å; H3-R5 VanDerWaalsContact C-N 3.33Å; H3-R5 PolarHBondContact O-N 3.45Å; R5-S8 PolarHBondContact O-N 2.84Å; R5-I9 WeakPolarHBondContact O-CB 3.45Å; R5-I9 WeakPolarHBondContact O-CD1 3.39Å; R5-I9 WeakPolarHBondContact O-CG1 3.38Å; R5-I9 PolarHBondContact O-N 3.23Å
6I84.4Confident75.7Confident90 Ų90112.4 Ų112.446%0.46258%0.584SS.*Hα-helixtrans-63.7-45.6176.9-66168.3000110.6L2 H3 I9 A10L2-I6 HydrophobicContact CD1-CD1 4.4Å; L2-I6 HydrophobicContact CG-CD1 3.98Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 3.06Å; H3-I6 PolarHBondContact O-N 3.34Å; I6-I9 PolarHBondContact O-N 3.14Å; I6-A10 WeakPolarHBondContact O-CB 3.38Å; I6-A10 PolarHBondContact O-N 3.46Å
7V83.7Confident74.7Confident89 Ų89109.4 Ų109.454%0.53958%0.579SS.*Hα-helixtrans-64.1-43.7176.4172.30000111.2H3 L4 I9 A10 V11H3-V7 WeakPolarHBondContact O-CB 3.34Å; H3-V7 WeakPolarHBondContact O-CG2 3.5Å; H3-V7 PolarHBondContact O-N 3.34Å; L4-V7 PolarHBondContact O-N 3.43Å; V7-I9 PolarHBondContact O-N 2.86Å; V7-A10 PolarHBondContact O-N 2.88Å; V7-V11 HydrophobicContact CG1-CG2 4.29Å; V7-V11 WeakPolarHBondContact O-CB 3.45Å; V7-V11 VanDerWaalsContact O-CG2 3.29Å; V7-V11 WeakPolarHBondContact O-CG2 3.27Å; V7-V11 PolarHBondContact O-N 3.29Å
8S81.7Confident73.7Confident65 Ų65106.9 Ų106.946%0.45557%0.57SS.*Hα-helixtrans-60.8-42.4174.5-64.40000112.3L4 R5 V11 I12L4-S8 WeakPolarHBondContact O-CB 3.37Å; L4-S8 PolarHBondContact O-N 3.3Å; L4-S8 PolarHBondContact O-OG 3.34Å; L4-S8 VanDerWaalsContact O-OG 3.04Å; R5-S8 PolarHBondContact O-N 2.84Å; S8-V11 PolarHBondContact O-N 3.04Å; S8-I12 WeakPolarHBondContact O-CB 3.2Å; S8-I12 WeakPolarHBondContact O-CD1 3.18Å; S8-I12 WeakPolarHBondContact O-CG1 3.15Å; S8-I12 PolarHBondContact O-N 2.83Å
9I85.7Confident72.7Confident99 Ų99109.7 Ų109.751%0.50857%0.571SS.*Hα-helixtrans-65.1-44.6176.4-70.7163.9000110.6R5 I6 V7 I12 L13R5-I9 WeakPolarHBondContact O-CB 3.45Å; R5-I9 WeakPolarHBondContact O-CD1 3.39Å; R5-I9 WeakPolarHBondContact O-CG1 3.38Å; R5-I9 PolarHBondContact O-N 3.23Å; I6-I9 PolarHBondContact O-N 3.14Å; V7-I9 PolarHBondContact O-N 2.86Å; I9-I12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 3.79Å; I9-L13 HydrophobicContact CG2-CG 4.3Å; I9-L13 WeakPolarHBondContact O-CB 3.21Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.32Å
10A80.1Confident71.9Confident56 Ų56111.2 Ų111.246%0.46358%0.575SS.*Hα-helixtrans-62.7-42.9177.400000112.2I6 V7 L13 F14I6-A10 WeakPolarHBondContact O-CB 3.38Å; I6-A10 PolarHBondContact O-N 3.46Å; V7-A10 PolarHBondContact O-N 2.88Å; A10-L13 PolarHBondContact O-N 3.17Å; A10-F14 WeakPolarHBondContact O-CB 3.5Å; A10-F14 PolarHBondContact O-N 2.82Å
11V80.5Confident71.6Confident77 Ų77109.9 Ų109.947%0.46757%0.569SS.*Hα-helixtrans-65.3-42.7175.4168.90000111.3V7 S8 F14 L15V7-V11 HydrophobicContact CG1-CG2 4.29Å; V7-V11 WeakPolarHBondContact O-CB 3.45Å; V7-V11 VanDerWaalsContact O-CG2 3.29Å; V7-V11 WeakPolarHBondContact O-CG2 3.27Å; V7-V11 PolarHBondContact O-N 3.29Å; S8-V11 PolarHBondContact O-N 3.04Å; V11-F14 PolarHBondContact O-N 3.36Å; V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.43Å
12I77.3Confident72.3Confident102 Ų102106 Ų10652%0.52355%0.553SS.*Hα-helixtrans-61.5-48.3175-72.1163.8000110.5S8 I9 F14 L15 T16S8-I12 WeakPolarHBondContact O-CB 3.2Å; S8-I12 WeakPolarHBondContact O-CD1 3.18Å; S8-I12 WeakPolarHBondContact O-CG1 3.15Å; S8-I12 PolarHBondContact O-N 2.83Å; I9-I12 PolarHBondContact O-N 3.32Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 2.85Å; I12-L15 PolarHBondContact O-N 3.4Å; I12-T16 WeakPolarHBondContact O-CG2 3.31Å; I12-T16 PolarHBondContact O-N 2.87Å; I12-T16 PolarHBondContact O-OG1 2.97Å; I12-T16 VanDerWaalsContact O-OG1 3.07Å
13L73.3Confident72.9Confident107 Ų107101.5 Ų101.556%0.5653%0.529SS*.Hα-helixtrans-59.7-43.6178.4-74.8170.6000111.8I9 A10 T16 A17I9-L13 HydrophobicContact CG2-CD1 3.79Å; I9-L13 HydrophobicContact CG2-CG 4.3Å; I9-L13 WeakPolarHBondContact O-CB 3.21Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.32Å; A10-L13 PolarHBondContact O-N 3.17Å; L13-T16 WeakPolarHBondContact CA-OG1 3.4Å; L13-T16 PolarHBondContact O-N 2.88Å; L13-T16 PolarHBondContact O-OG1 3.01Å; L13-A17 WeakPolarHBondContact O-CB 3.33Å; L13-A17 PolarHBondContact O-N 3.02Å
14F69.7Low73.8Confident148 Ų14895.7 Ų95.765%0.64950%0.503SS*.Hα-helixtrans-64.6-45.7177.6-157-86.7000111.4A10 V11 I12 T16 A17 T18A10-F14 WeakPolarHBondContact O-CB 3.5Å; A10-F14 PolarHBondContact O-N 2.82Å; V11-F14 PolarHBondContact O-N 3.36Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 2.85Å; F14-T16 VanDerWaalsContact C-N 3.34Å; F14-T16 PolarHBondContact O-N 3.49Å; F14-A17 PolarHBondContact O-N 3.32Å; F14-T18 HydrophobicContact CD1-CG2 3.99Å; F14-T18 HydrophobicContact CE1-CG2 3.85Å; F14-T18 PolarHBondContact O-N 3.46Å; F14-T18 PolarHBondContact O-OG1 3.34Å
15L66.2Low74.6Confident106 Ų10689.4 Ų89.456%0.55547%0.47SS*.Hα-helixtrans-63.9-34.3176-72.2169.9000113V11 I12 T18 R19V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.43Å; I12-L15 PolarHBondContact O-N 3.4Å; L15-T18 PolarHBondContact O-OG1 2.76Å; L15-R19 VanDerWaalsContact O-CB 3.23Å; L15-R19 WeakPolarHBondContact O-CB 3.28Å; L15-R19 PolarHBondContact O-N 3.15Å
16T60.8Low75.4Confident79 Ų7983.2 Ų83.249%0.48545%0.447SS..Hα-helixtrans-72-36.8172.849.10000112.2I12 L13 F14 Q20I12-T16 WeakPolarHBondContact O-CG2 3.31Å; I12-T16 PolarHBondContact O-N 2.87Å; I12-T16 PolarHBondContact O-OG1 2.97Å; I12-T16 VanDerWaalsContact O-OG1 3.07Å; L13-T16 WeakPolarHBondContact CA-OG1 3.4Å; L13-T16 PolarHBondContact O-N 2.88Å; L13-T16 PolarHBondContact O-OG1 3.01Å; F14-T16 VanDerWaalsContact C-N 3.34Å; F14-T16 PolarHBondContact O-N 3.49Å; T16-Q20 PolarHBondContact O-N 3.37Å
17A58.4Low76.1Confident61 Ų6179 Ų7950%0.50443%0.425SS..Hα-helixtrans-69.6-44.2179.500000112.1L13 F14 R19 Q20L13-A17 WeakPolarHBondContact O-CB 3.33Å; L13-A17 PolarHBondContact O-N 3.02Å; F14-A17 PolarHBondContact O-N 3.32Å; A17-R19 VanDerWaalsContact C-N 3.35Å; A17-R19 PolarHBondContact O-N 2.88Å; A17-Q20 PolarHBondContact O-N 2.72Å
18T57.1Low76.8Confident66 Ų6674.8 Ų74.841%0.40540%0.399SS..Hα-helixtrans-62-44.317554.70000111.2F14 L15 Q20 D21F14-T18 HydrophobicContact CD1-CG2 3.99Å; F14-T18 HydrophobicContact CE1-CG2 3.85Å; F14-T18 PolarHBondContact O-N 3.46Å; F14-T18 PolarHBondContact O-OG1 3.34Å; L15-T18 PolarHBondContact O-OG1 2.76Å; T18-Q20 PolarHBondContact O-N 2.94Å; T18-Q20 VanDerWaalsContact O-N 3.11Å; T18-D21 PolarHBondContact O-N 3.14Å
19R55.1Low77.6Confident160 Ų16071.7 Ų71.760%0.60438%0.378SS*.Hα-helixtrans-63.6-17178.8-172.1172-175.3165.76.8113.6L15 A17 S207L15-R19 VanDerWaalsContact O-CB 3.23Å; L15-R19 WeakPolarHBondContact O-CB 3.28Å; L15-R19 PolarHBondContact O-N 3.15Å; A17-R19 VanDerWaalsContact C-N 3.35Å; A17-R19 PolarHBondContact O-N 2.88Å; R19-S207 PolarHBondContact NH2-OG 2.03Å
20Q56.6Low78.2Confident139 Ų13967 Ų6765%0.6535%0.354SS*.Hα-helixtrans-82.3-35.2179.7-169.2172-11.400113.2T16 A17 T18 D23 I24T16-Q20 PolarHBondContact O-N 3.37Å; A17-Q20 PolarHBondContact O-N 2.72Å; T18-Q20 PolarHBondContact O-N 2.94Å; T18-Q20 VanDerWaalsContact O-N 3.11Å; Q20-D23 PolarHBondContact O-N 3.4Å; Q20-I24 WeakPolarHBondContact O-CG1 3.38Å
21D65.3Low79.1Confident84 Ų8464.3 Ų64.345%0.44933%0.332SS..Hα-helixtrans-71.9-32.4174-172.636.1000111.4T18 D23 I24 K73T18-D21 PolarHBondContact O-N 3.14Å; D21-D23 PolarHBondContact O-N 3Å; D21-I24 PolarHBondContact O-N 2.92Å; D21-I24 VanDerWaalsContact O-N 3.15Å; D21-K73 IonicContact OD1-NZ 2.89Å; D21-K73 PolarHBondContact OD1-NZ 2.87Å; D21-K73 IonicContact OD2-NZ 3.42Å; D21-K73 PolarHBondContact OD2-NZ 3.18Å
22D78.7Confident79.9Confident116 Ų11660.7 Ų60.762%0.6231%0.31SS*.THydrogen-bonded Turntrans-61-27.2174.1-68.2-32.5000113.1R354D22-R354 PolarHBondContact O-NH1 2.84Å
23D88.3Confident80.9Confident30 Ų3055.9 Ų55.916%0.1629%0.285CS..THydrogen-bonded Turntrans-86.6-3.2179.5-162.231.3000113.2Q20 D21 Q353 R354 S355Q20-D23 PolarHBondContact O-N 3.4Å; D21-D23 PolarHBondContact O-N 3Å; D23-Q353 CarbonylContact O-C 3.54Å; D23-Q353 WeakPolarHBondContact O-CA 3.08Å; D23-Q353 WeakPolarHBondContact OD2-CG 3.4Å; D23-Q353 PolarHBondContact OD2-NE2 2.99Å; D23-R354 PolarHBondContact O-N 3.17Å; D23-S355 VanDerWaalsContact OD1-CB 3.25Å; D23-S355 WeakPolarHBondContact OD1-CB 3.44Å; D23-S355 PolarHBondContact OD1-N 3.34Å; D23-S355 PolarHBondContact OD1-OG 2.84Å; D23-S355 WeakPolarHBondContact OD2-CB 3.11Å; D23-S355 PolarHBondContact OD2-OG 3Å
24I91.5Very high82.1Confident32 Ų3250.8 Ų50.816%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-93.4112.7179.2-47.3-55000111.2Q20 D21 Y26 R351 F352 R354 L360Q20-I24 WeakPolarHBondContact O-CG1 3.38Å; D21-I24 PolarHBondContact O-N 2.92Å; D21-I24 VanDerWaalsContact O-N 3.15Å; I24-Y26 HydrophobicContact CB-CE2 3.99Å; I24-Y26 HydrophobicContact CG2-CD2 4.29Å; I24-Y26 HydrophobicContact CG2-CE1 4.42Å; I24-Y26 HydrophobicContact CG2-CE2 3.53Å; I24-Y26 WeakPolarHBondContact O-CD2 3.32Å; I24-Y26 WeakPolarHBondContact O-CE2 3.38Å; I24-R351 HydrophobicContact CG2-CB 4.45Å; I24-F352 CarbonylContact C-O 3.58Å; I24-F352 WeakPolarHBondContact CA-O 3.26Å; I24-R354 VanDerWaalsContact C-NH1 3.29Å; I24-R354 VanDerWaalsContact O-CZ 3.29Å; I24-R354 PolarHBondContact O-NH1 3.39Å; I24-R354 PolarHBondContact O-NH2 3.28Å; I24-L360 HydrophobicContact CD1-CD1 3.86Å
25G93.4Very high83.3Confident0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-89.7154.4171.700000113D76 R351 F352G25-D76 VanDerWaalsContact CA-OD2 3.28Å; G25-D76 WeakPolarHBondContact CA-OD2 3.3Å; G25-R351 CarbonylContact O-C 3.49Å; G25-R351 WeakPolarHBondContact O-CA 3.32Å; G25-F352 PolarHBondContact N-O 2.95Å; G25-F352 VanDerWaalsContact O-CD1 3.3Å; G25-F352 WeakPolarHBondContact O-CD1 3.44Å; G25-F352 PolarHBondContact O-N 3.35Å
26Y96.5Very high84.7Confident42 Ų4239 Ų3917%0.16520%0.203CC..EExtended strand (participates in β ladder)trans-139.7139.8-176.4-64.6-98.3000110.9I24 F71 P75 D76 L349 Y350 R351I24-Y26 HydrophobicContact CB-CE2 3.99Å; I24-Y26 HydrophobicContact CG2-CD2 4.29Å; I24-Y26 HydrophobicContact CG2-CE1 4.42Å; I24-Y26 HydrophobicContact CG2-CE2 3.53Å; I24-Y26 WeakPolarHBondContact O-CD2 3.32Å; I24-Y26 WeakPolarHBondContact O-CE2 3.38Å; Y26-F71 HydrophobicContact CD1-CE1 4.46Å; Y26-F71 AromaticContact CD1-CE2 3.75Å; Y26-F71 HydrophobicContact CD1-CE2 3.75Å; Y26-F71 AromaticContact CD1-CZ 3.53Å; Y26-F71 HydrophobicContact CD1-CZ 3.53Å; Y26-F71 AromaticContact CD2-CZ 3.72Å; Y26-F71 HydrophobicContact CD2-CZ 3.72Å; Y26-F71 AromaticContact CE1-CE2 3.97Å; Y26-F71 HydrophobicContact CE1-CE2 3.97Å; Y26-F71 HydrophobicContact CE1-CZ 4.06Å; Y26-F71 HydrophobicContact CE2-CZ 4.25Å; Y26-F71 HydrophobicContact CG-CE1 4.07Å; Y26-F71 HydrophobicContact CG-CE2 4.06Å; Y26-F71 AromaticContact CG-CZ 3.34Å; Y26-F71 HydrophobicContact CG-CZ 3.34Å; Y26-P75 CarbonylContact O-C 3.56Å; Y26-P75 WeakPolarHBondContact O-CA 3.5Å; Y26-P75 WeakPolarHBondContact O-CB 3.27Å; Y26-D76 PolarHBondContact N-OD2 3.44Å; Y26-D76 PolarHBondContact O-N 3.35Å; Y26-L349 HydrophobicContact CD1-CD1 4.45Å; Y26-L349 HydrophobicContact CD1-CD2 4.41Å; Y26-L349 HydrophobicContact CD1-CG 4.4Å; Y26-Y350 VanDerWaalsContact CA-O 3.32Å; Y26-Y350 WeakPolarHBondContact CA-O 3.42Å; Y26-R351 HydrophobicContact CD1-CB 3.83Å; Y26-R351 HydrophobicContact CE1-CB 3.76Å
27F97.9Very high86.1Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-143.7143.9172.165.6-88.3000111.7F77 I79 L260 M300 L303 Y350 F352 L359F27-F77 VanDerWaalsContact CA-O 3.32Å; F27-F77 WeakPolarHBondContact CA-O 3.27Å; F27-F77 HydrophobicContact CB-CD1 4.22Å; F27-F77 HydrophobicContact CB-CD2 3.63Å; F27-F77 HydrophobicContact CB-CE1 4.07Å; F27-F77 HydrophobicContact CB-CE2 3.46Å; F27-F77 VanDerWaalsContact CB-CE2 3.46Å; F27-F77 HydrophobicContact CB-CG 4.01Å; F27-F77 HydrophobicContact CB-CZ 3.7Å; F27-F77 VanDerWaalsContact CB-O 3.25Å; F27-F77 WeakPolarHBondContact CB-O 3.31Å; F27-F77 HydrophobicContact CD1-CE1 4.1Å; F27-F77 AromaticContact CD1-CE2 3.78Å; F27-F77 HydrophobicContact CD1-CE2 3.78Å; F27-F77 AromaticContact CD1-CZ 3.39Å; F27-F77 HydrophobicContact CD1-CZ 3.39Å; F27-F77 HydrophobicContact CD2-CD2 4.31Å; F27-F77 AromaticContact CD2-CE2 3.58Å; F27-F77 HydrophobicContact CD2-CE2 3.58Å; F27-F77 HydrophobicContact CD2-CZ 4.09Å; F27-F77 HydrophobicContact CE1-CE2 4.38Å; F27-F77 AromaticContact CE1-CZ 3.96Å; F27-F77 HydrophobicContact CE1-CZ 3.96Å; F27-F77 HydrophobicContact CE2-CE2 4.2Å; F27-F77 HydrophobicContact CG-CD2 4.02Å; F27-F77 HydrophobicContact CG-CE1 4.25Å; F27-F77 AromaticContact CG-CE2 3.33Å; F27-F77 HydrophobicContact CG-CE2 3.33Å; F27-F77 AromaticContact CG-CZ 3.47Å; F27-F77 HydrophobicContact CG-CZ 3.47Å; F27-F77 VanDerWaalsContact CG-CZ 3.47Å; F27-I79 HydrophobicContact CD2-CG1 3.99Å; F27-I79 HydrophobicContact CE2-CG1 4.2Å; F27-L260 HydrophobicContact CE2-CD2 4.29Å; F27-L260 HydrophobicContact CZ-CD2 4.11Å; F27-M300 HydrophobicContact CE1-CE 3.65Å; F27-M300 HydrophobicContact CZ-CE 4.33Å; F27-L303 HydrophobicContact CE2-CD1 3.79Å; F27-L303 HydrophobicContact CZ-CD1 4.25Å; F27-Y350 AromaticContact CD2-CD2 3.9Å; F27-Y350 HydrophobicContact CD2-CD2 3.9Å; F27-Y350 HydrophobicContact CD2-CG 4.32Å; F27-Y350 VanDerWaalsContact CE1-CB 3.42Å; F27-Y350 HydrophobicContact CE1-CG 4.08Å; F27-Y350 AromaticContact CE2-CD2 3.25Å; F27-Y350 HydrophobicContact CE2-CD2 3.25Å; F27-Y350 AromaticContact CE2-CE2 3.97Å; F27-Y350 HydrophobicContact CE2-CE2 3.97Å; F27-Y350 AromaticContact CE2-CG 3.59Å; F27-Y350 HydrophobicContact CE2-CG 3.59Å; F27-Y350 HydrophobicContact CZ-CD1 4.12Å; F27-Y350 AromaticContact CZ-CD2 3.66Å; F27-Y350 HydrophobicContact CZ-CD2 3.66Å; F27-Y350 HydrophobicContact CZ-CE2 4.44Å; F27-Y350 AromaticContact CZ-CG 3.45Å; F27-Y350 HydrophobicContact CZ-CG 3.45Å; F27-Y350 VanDerWaalsContact CZ-CG 3.45Å; F27-Y350 PolarHBondContact N-O 2.8Å; F27-Y350 VanDerWaalsContact N-O 3.12Å; F27-Y350 PolarHBondContact O-N 3.39Å; F27-F352 AromaticContact CD1-CD1 3.71Å; F27-F352 HydrophobicContact CD1-CD1 3.71Å; F27-F352 AromaticContact CD1-CE1 3.83Å; F27-F352 HydrophobicContact CD1-CE1 3.83Å; F27-F352 AromaticContact CE1-CD1 3.98Å; F27-F352 HydrophobicContact CE1-CD1 3.98Å; F27-F352 HydrophobicContact CE1-CE1 4.48Å; F27-L359 HydrophobicContact CE1-CD1 4.03Å; F27-L359 HydrophobicContact CZ-CD1 4.21Å
28W98.6Very high87.6Confident1 Ų138.6 Ų38.60%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-85148.1172.4-77103.6000110.6T67 L70 F71 V78 I79 F111 I347 R348 L349 Y365W28-T67 HydrophobicContact CD2-CG2 3.81Å; W28-T67 HydrophobicContact CE3-CG2 3.99Å; W28-T67 HydrophobicContact CG-CG2 4.13Å; W28-T67 VanDerWaalsContact CZ2-O 3.29Å; W28-T67 WeakPolarHBondContact CZ2-O 3.47Å; W28-T67 HydrophobicContact CZ3-CG2 4.45Å; W28-T67 PolarHBondContact NE1-O 3.48Å; W28-L70 HydrophobicContact CH2-CB 4.25Å; W28-L70 HydrophobicContact CH2-CD1 4.21Å; W28-L70 HydrophobicContact CZ2-CB 4.32Å; W28-F71 HydrophobicContact CZ2-CB 3.79Å; W28-V78 HydrophobicContact CB-CG1 4.08Å; W28-V78 HydrophobicContact CB-CG2 4.29Å; W28-V78 WeakPolarHBondContact O-CA 3.04Å; W28-I79 PolarHBondContact O-N 3.15Å; W28-F111 AromaticContact CD1-CZ 3.85Å; W28-I347 HydrophobicContact CH2-CD1 4.47Å; W28-I347 HydrophobicContact CZ3-CB 4.27Å; W28-I347 HydrophobicContact CZ3-CD1 4.16Å; W28-I347 HydrophobicContact CZ3-CG1 3.91Å; W28-R348 CarbonylContact C-O 3.58Å; W28-R348 WeakPolarHBondContact CA-O 3.49Å; W28-R348 VanDerWaalsContact CE3-C 3.47Å; W28-L349 HydrophobicContact CD2-CB 4.27Å; W28-L349 HydrophobicContact CD2-CD1 4.04Å; W28-L349 HydrophobicContact CE3-CB 4.01Å; W28-L349 HydrophobicContact CG-CD1 4.24Å; W28-L349 HydrophobicContact CH2-CB 3.94Å; W28-L349 HydrophobicContact CZ2-CB 4.22Å; W28-L349 HydrophobicContact CZ2-CD1 4.34Å; W28-L349 HydrophobicContact CZ2-CD2 4.33Å; W28-L349 HydrophobicContact CZ3-CB 3.83Å; W28-Y365 AromaticContact CH2-CD2 3.86Å; W28-Y365 HydrophobicContact CH2-CD2 3.86Å; W28-Y365 AromaticContact CH2-CE2 3.84Å; W28-Y365 HydrophobicContact CH2-CE2 3.84Å; W28-Y365 AromaticContact CZ3-CD2 3.97Å; W28-Y365 HydrophobicContact CZ3-CD2 3.97Å; W28-Y365 HydrophobicContact CZ3-CE2 4.28Å
29H98.7Very high89Confident0 Ų036 Ų360%017%0.169CC..EExtended strand (participates in β ladder)trans-125.6125.2168.5-168.1176.7000108.3I79 S81 M329 R348 Y350H29-I79 WeakPolarHBondContact CA-O 3.31Å; H29-I79 HydrophobicContact CB-CB 4.44Å; H29-S81 PolarHBondContact NE2-OG 3.48Å; H29-M329 HydrophobicContact CB-SD 4.09Å; H29-M329 VanDerWaalsContact CE1-CB 3.44Å; H29-M329 WeakPolarHBondContact CE1-CB 3.41Å; H29-M329 WeakPolarHBondContact O-CE 3.38Å; H29-R348 HydrophobicContact CB-CB 4.5Å; H29-R348 PolarHBondContact N-O 2.92Å; H29-R348 PolarHBondContact O-N 3.11Å; H29-Y350 HydrophobicContact CB-CD2 3.99Å; H29-Y350 HydrophobicContact CB-CE2 3.59Å; H29-Y350 AromaticContact ND1-CE2 3.53Å
30L98.6Very high90.1Very high1 Ų133.7 Ų33.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-126.5142.1177.6-54.4174.2000108I64 T67 V78 I79 W80 S81 L107 I332 I347L30-I64 HydrophobicContact CD1-CG1 4.47Å; L30-T67 HydrophobicContact CD1-CG2 4.34Å; L30-T67 HydrophobicContact CD2-CG2 3.97Å; L30-V78 HydrophobicContact CD1-CG1 4.47Å; L30-I79 PolarHBondContact N-O 3.47Å; L30-W80 VanDerWaalsContact O-CA 3.3Å; L30-W80 WeakPolarHBondContact O-CA 3.37Å; L30-S81 PolarHBondContact O-N 2.9Å; L30-L107 HydrophobicContact CD1-CD2 3.85Å; L30-I332 HydrophobicContact CB-CD1 4.12Å; L30-I332 HydrophobicContact CD2-CD1 4.12Å; L30-I347 HydrophobicContact CD2-CB 3.81Å; L30-I347 HydrophobicContact CD2-CG2 3.49Å; L30-I347 VanDerWaalsContact CD2-CG2 3.49Å
31S98.5Very high90.7Very high0 Ų033.8 Ų33.80%018%0.178CC..  trans-157.8167.9178-145.80000111.4I33 S81 A305 I332S31-I33 VanDerWaalsContact C-N 3.3Å; S31-I33 PolarHBondContact O-N 2.93Å; S31-S81 WeakPolarHBondContact CB-OG 3.4Å; S31-S81 WeakPolarHBondContact OG-CB 3.44Å; S31-S81 PolarHBondContact OG-O 3.12Å; S31-S81 PolarHBondContact OG-OG 3.31Å; S31-A305 WeakPolarHBondContact OG-CB 3.02Å; S31-I332 PolarHBondContact O-N 2.88Å
32D98.5Very high90.8Very high0 Ų032.2 Ų32.20%017%0.167CC..  trans51.955.8161.2-54.3-162.3000109.1H34 G82 H264 A305 H306 H308 I332 S333D32-H34 VanDerWaalsContact C-CD2 3.47Å; D32-G82 PolarHBondContact N-O 2.9Å; D32-H264 IonicContact OD1-CE1 3.63Å; D32-H264 IonicContact OD2-CE1 3.94Å; D32-H264 PolarHBondContact OD2-CE1 2.82Å; D32-H264 VanDerWaalsContact OD2-CE1 3.26Å; D32-H264 IonicContact OD2-ND1 3.12Å; D32-A305 VanDerWaalsContact OD2-CB 3.23Å; D32-A305 WeakPolarHBondContact OD2-CB 3.16Å; D32-H306 VanDerWaalsContact OD1-CA 3.24Å; D32-H306 WeakPolarHBondContact OD1-CA 3.29Å; D32-H306 PolarHBondContact OD1-N 3.27Å; D32-H308 IonicContact OD1-CD2 3.76Å; D32-H308 PolarHBondContact OD1-CD2 2.82Å; D32-H308 VanDerWaalsContact OD1-CD2 3.28Å; D32-H308 IonicContact OD1-NE2 3.64Å; D32-I332 PolarHBondContact O-N 3.12Å; D32-I332 VanDerWaalsContact O-N 3.13Å; D32-S333 PolarHBondContact O-N 3.17Å
33I98Very high90.5Very high1 Ų131.8 Ų31.81%0.00517%0.173CC..  trans-77.9-42-173.6-63176.8000109.4S31 C35 S55 A60 D83 I103 I332S31-I33 VanDerWaalsContact C-N 3.3Å; S31-I33 PolarHBondContact O-N 2.93Å; I33-C35 HydrophobicContact CG2-CB 4.09Å; I33-C35 PolarHBondContact O-N 3.38Å; I33-S55 WeakPolarHBondContact O-CB 3.34Å; I33-S55 PolarHBondContact O-OG 3.08Å; I33-A60 HydrophobicContact CG2-CB 3.79Å; I33-D83 PolarHBondContact N-O 3.08Å; I33-I103 HydrophobicContact CD1-CG2 3.85Å; I33-I103 HydrophobicContact CG2-CD1 4.08Å; I33-I332 HydrophobicContact CG1-CB 4.48Å; I33-I332 HydrophobicContact CG1-CD1 3.92Å
34H97.4Very high90.1Very high1 Ų130.4 Ų30.41%0.00517%0.165CC..  trans40.865.8-178.1-56.5-82.2000112.4D32 D36 D54 S55 D83 G85 H87 H308D32-H34 VanDerWaalsContact C-CD2 3.47Å; H34-D36 PolarHBondContact O-N 3.44Å; H34-D36 VanDerWaalsContact O-N 3.14Å; H34-D54 HydrophobicContact CB-CB 4.26Å; H34-D54 WeakPolarHBondContact CB-OD1 3.34Å; H34-D54 IonicContact CG-OD1 3.2Å; H34-D54 WeakPolarHBondContact O-CB 3.47Å; H34-S55 WeakPolarHBondContact O-CB 3.49Å; H34-S55 PolarHBondContact O-N 3.01Å; H34-D83 IonicContact CE1-OD2 3.92Å; H34-D83 PolarHBondContact CE1-OD2 2.87Å; H34-D83 VanDerWaalsContact CE1-OD2 3.24Å; H34-D83 PolarHBondContact N-O 2.92Å; H34-D83 IonicContact NE2-OD2 2.87Å; H34-G85 WeakPolarHBondContact CA-O 3.33Å; H34-G85 PolarHBondContact ND1-O 3.21Å; H34-H87 AromaticContact CD2-CE1 3.83Å; H34-H87 AromaticContact CE1-CE1 3.32Å; H34-H87 PolarHBondContact CE1-CE1 3.11Å; H34-H87 AromaticContact CE1-NE2 3.74Å; H34-H87 AromaticContact CG-CE1 3.63Å; H34-H87 AromaticContact CG-ND1 3.97Å; H34-H87 AromaticContact ND1-CE1 3.32Å; H34-H87 PolarHBondContact ND1-CE1 2.83Å; H34-H87 VanDerWaalsContact ND1-CE1 3.32Å; H34-H87 AromaticContact ND1-ND1 3.71Å; H34-H87 AromaticContact NE2-CE1 3.67Å; H34-H308 AromaticContact CD2-CE1 3.8Å; H34-H308 AromaticContact CD2-NE2 3.81Å; H34-H308 AromaticContact NE2-CE1 3.64Å; H34-H308 AromaticContact NE2-NE2 3.21Å; H34-H308 PolarHBondContact NE2-NE2 2.81Å
35C96.1Very high89.5Confident2 Ų234.2 Ų34.21%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-80.897.7-171.21780000111.2I33 L37 A60 N84 I103I33-C35 HydrophobicContact CG2-CB 4.09Å; I33-C35 PolarHBondContact O-N 3.38Å; C35-L37 PolarHBondContact O-N 3.28Å; C35-A60 HydrophobicContact CB-CB 4.36Å; C35-N84 PolarHBondContact N-O 3.1Å; C35-I103 HydrophobicContact CB-CD1 4.1Å; C35-I103 HydrophobicContact CB-CG1 4.37Å
36D93.7Very high89.2Confident5 Ų536.5 Ų36.53%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-76109177.5-162.3-16.7000111.7H34 K38 Y39 K42 D54 S55 P86H34-D36 PolarHBondContact O-N 3.44Å; H34-D36 VanDerWaalsContact O-N 3.14Å; D36-K38 VanDerWaalsContact C-N 3.31Å; D36-K38 VanDerWaalsContact OD1-CA 3.28Å; D36-K38 WeakPolarHBondContact OD1-CA 3.38Å; D36-K38 VanDerWaalsContact OD1-CB 3.29Å; D36-K38 WeakPolarHBondContact OD1-CB 3.16Å; D36-K38 PolarHBondContact OD1-N 3.02Å; D36-Y39 WeakPolarHBondContact O-CB 3.34Å; D36-Y39 PolarHBondContact OD1-N 3.48Å; D36-Y39 VanDerWaalsContact OD1-N 3.15Å; D36-K42 VanDerWaalsContact OD2-CD 3.31Å; D36-K42 WeakPolarHBondContact OD2-CD 3.42Å; D36-K42 VanDerWaalsContact OD2-CE 3.22Å; D36-K42 WeakPolarHBondContact OD2-CE 3.46Å; D36-K42 IonicContact OD2-NZ 3.98Å; D36-K42 PolarHBondContact OD2-NZ 2.86Å; D36-D54 HydrophobicContact CB-CB 4.16Å; D36-S55 PolarHBondContact N-O 2.74Å; D36-P86 HydrophobicContact CB-CB 3.92Å; D36-P86 HydrophobicContact CB-CG 4.3Å
37L92Very high88.6Confident77 Ų7735.8 Ų35.840%0.40320%0.198SC..SBendtrans-79.5-12.9173.6-58.8-176.5000113.1C35 F57 L102C35-L37 PolarHBondContact O-N 3.28Å; L37-F57 HydrophobicContact CD2-CB 4.38Å; L37-F57 HydrophobicContact CD2-CD2 4.24Å; L37-F57 HydrophobicContact CD2-CG 4.36Å; L37-L102 HydrophobicContact CD1-CD1 4.02Å; L37-L102 HydrophobicContact CD2-CD1 3.9Å
38K88.7Confident88.2Confident53 Ų5336.2 Ų36.223%0.2320%0.2CC..SBendtrans-94.9-9172.9-50.1176.6-164.9163.20112.5D36 V40 N41 D88 S90D36-K38 VanDerWaalsContact C-N 3.31Å; D36-K38 VanDerWaalsContact OD1-CA 3.28Å; D36-K38 WeakPolarHBondContact OD1-CA 3.38Å; D36-K38 VanDerWaalsContact OD1-CB 3.29Å; D36-K38 WeakPolarHBondContact OD1-CB 3.16Å; D36-K38 PolarHBondContact OD1-N 3.02Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 2.91Å; K38-N41 VanDerWaalsContact O-CB 3.28Å; K38-N41 WeakPolarHBondContact O-CB 3.34Å; K38-N41 PolarHBondContact O-N 3.38Å; K38-D88 WeakPolarHBondContact CD-OD2 3.34Å; K38-D88 WeakPolarHBondContact CE-OD2 3.48Å; K38-D88 IonicContact NZ-OD1 3.11Å; K38-D88 PolarHBondContact NZ-OD1 3.46Å; K38-D88 IonicContact NZ-OD2 3.04Å; K38-D88 PolarHBondContact NZ-OD2 3.24Å; K38-S90 PolarHBondContact NZ-OG 2.99Å
39Y86.5Confident87.7Confident13 Ų1336.1 Ų36.15%0.05120%0.2CC..G310 helixtrans-23-59.3-172-179.7-94.6000116.2D36 N41 K42 C44 L46 G49 N50 C53 D54D36-Y39 WeakPolarHBondContact O-CB 3.34Å; D36-Y39 PolarHBondContact OD1-N 3.48Å; D36-Y39 VanDerWaalsContact OD1-N 3.15Å; Y39-N41 PolarHBondContact O-N 2.84Å; Y39-N41 VanDerWaalsContact O-N 3.1Å; Y39-K42 PolarHBondContact O-N 3.07Å; Y39-C44 HydrophobicContact CD1-CB 3.93Å; Y39-C44 VanDerWaalsContact CD1-O 3.25Å; Y39-C44 WeakPolarHBondContact CD1-O 3.2Å; Y39-C44 HydrophobicContact CD2-CB 3.66Å; Y39-C44 HydrophobicContact CE1-CB 3.7Å; Y39-C44 WeakPolarHBondContact CE1-O 3.38Å; Y39-C44 HydrophobicContact CE2-CB 3.41Å; Y39-C44 VanDerWaalsContact CE2-CB 3.41Å; Y39-C44 HydrophobicContact CG-CB 3.9Å; Y39-C44 VanDerWaalsContact CZ-CB 3.41Å; Y39-C44 WeakPolarHBondContact O-CB 3.19Å; Y39-L46 VanDerWaalsContact CE1-O 3.26Å; Y39-L46 WeakPolarHBondContact CE1-O 3.29Å; Y39-L46 PolarHBondContact OH-O 2.91Å; Y39-G49 WeakPolarHBondContact OH-CA 3.22Å; Y39-G49 PolarHBondContact OH-N 3.32Å; Y39-N50 PolarHBondContact OH-N 3.5Å; Y39-C53 HydrophobicContact CD2-CB 4.45Å; Y39-C53 HydrophobicContact CE2-CB 3.93Å; Y39-D54 WeakPolarHBondContact CD2-O 3.37Å; Y39-D54 WeakPolarHBondContact CE2-O 3.29Å
40V79.5Confident87.3Confident110 Ų11038.4 Ų38.467%0.66721%0.212SC*.G310 helixtrans-59.1-26.4-176.8-178.30000113.4K38 K42K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 2.91Å; V40-K42 VanDerWaalsContact C-N 3.34Å
41N69Low87Confident142 Ų14239.6 Ų39.676%0.75922%0.216SC*.G310 helixtrans-80.9-10.7-179.6-58-12.4000113.3K38 Y39K38-N41 VanDerWaalsContact O-CB 3.28Å; K38-N41 WeakPolarHBondContact O-CB 3.34Å; K38-N41 PolarHBondContact O-N 3.38Å; Y39-N41 PolarHBondContact O-N 2.84Å; Y39-N41 VanDerWaalsContact O-N 3.1Å
42K67Low86.6Confident51 Ų5142.9 Ų42.922%0.22224%0.239CC..G310 helixtrans-99.630179-64.3-175.7-178.41650112.5D36 Y39 V40 C44 D88D36-K42 VanDerWaalsContact OD2-CD 3.31Å; D36-K42 WeakPolarHBondContact OD2-CD 3.42Å; D36-K42 VanDerWaalsContact OD2-CE 3.22Å; D36-K42 WeakPolarHBondContact OD2-CE 3.46Å; D36-K42 IonicContact OD2-NZ 3.98Å; D36-K42 PolarHBondContact OD2-NZ 2.86Å; Y39-K42 PolarHBondContact O-N 3.07Å; V40-K42 VanDerWaalsContact C-N 3.34Å; K42-C44 PolarHBondContact O-N 3.43Å; K42-C44 PolarHBondContact O-SG 3.44Å; K42-C44 VanDerWaalsContact O-SG 3.38Å; K42-D88 WeakPolarHBondContact CE-OD2 3.23Å; K42-D88 IonicContact NZ-OD2 3.7Å; K42-D88 PolarHBondContact NZ-OD2 3.3Å
43S71.8Confident86.3Confident107 Ų10743 Ų4375%0.74824%0.241SC*.THydrogen-bonded Turntrans60.6-1.6-169.9-58.30000115.8N45S43-N45 PolarHBondContact O-N 3.43Å
44C80.4Confident86.2Confident0 Ų043 Ų430%024%0.241CC..  trans-7094.6175-450000110.2Y39 K42 C53Y39-C44 HydrophobicContact CD1-CB 3.93Å; Y39-C44 VanDerWaalsContact CD1-O 3.25Å; Y39-C44 WeakPolarHBondContact CD1-O 3.2Å; Y39-C44 HydrophobicContact CD2-CB 3.66Å; Y39-C44 HydrophobicContact CE1-CB 3.7Å; Y39-C44 WeakPolarHBondContact CE1-O 3.38Å; Y39-C44 HydrophobicContact CE2-CB 3.41Å; Y39-C44 VanDerWaalsContact CE2-CB 3.41Å; Y39-C44 HydrophobicContact CG-CB 3.9Å; Y39-C44 VanDerWaalsContact CZ-CB 3.41Å; Y39-C44 WeakPolarHBondContact O-CB 3.19Å; K42-C44 PolarHBondContact O-N 3.43Å; K42-C44 PolarHBondContact O-SG 3.44Å; K42-C44 VanDerWaalsContact O-SG 3.38Å; C44-C53 HydrophobicContact CB-CB 3.82Å; C44-C53 WeakPolarHBondContact CB-SG 3.43Å; C44-C53 WeakPolarHBondContact SG-CB 3.28Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.36Å
45N79Confident86.1Confident112 Ų11243 Ų4360%0.59924%0.24SC*.  trans-102.5-16.1-170.561.913.9000114.5S43S43-N45 PolarHBondContact O-N 3.43Å
46L86.4Confident86Confident49 Ų4943.1 Ų43.126%0.25724%0.241SC..SBendtrans-74141-178.2-65.1-175.2000111.7Y39 Y48 G49 N50 F374Y39-L46 VanDerWaalsContact CE1-O 3.26Å; Y39-L46 WeakPolarHBondContact CE1-O 3.29Å; Y39-L46 PolarHBondContact OH-O 2.91Å; L46-Y48 PolarHBondContact O-N 2.88Å; L46-G49 VanDerWaalsContact CB-O 3.27Å; L46-G49 WeakPolarHBondContact CB-O 3.34Å; L46-N50 HydrophobicContact CD1-CB 4.33Å; L46-F374 HydrophobicContact CD2-CE2 4.09Å; L46-F374 HydrophobicContact CD2-CZ 3.78Å
47P84.7Confident85.9Confident26 Ų2646.4 Ų46.417%0.16926%0.255CS..THydrogen-bonded Turntrans-65.6-35.1-166.823.8-34.6000114.9S56 K58 Q372 F374P47-S56 PolarHBondContact O-OG 2.8Å; P47-K58 HydrophobicContact CB-CD 4.15Å; P47-K58 WeakPolarHBondContact O-CB 3.47Å; P47-K58 WeakPolarHBondContact O-CD 3.23Å; P47-Q372 VanDerWaalsContact CD-OE1 3.24Å; P47-F374 HydrophobicContact CG-CD1 4.25Å
48Y88.9Confident85.9Confident9 Ų946.7 Ų46.74%0.03525%0.254CS..THydrogen-bonded Turntrans-110.99.8-175.4-69.4-86.3000113.7L46 K58 L59 N62 F367 L369 Q372 H382L46-Y48 PolarHBondContact O-N 2.88Å; Y48-K58 HydrophobicContact CD1-CD 4.11Å; Y48-K58 HydrophobicContact CD1-CG 4.31Å; Y48-K58 HydrophobicContact CD2-CD 4.38Å; Y48-K58 HydrophobicContact CE1-CD 3.87Å; Y48-K58 HydrophobicContact CE1-CG 4.07Å; Y48-K58 HydrophobicContact CE2-CD 4.14Å; Y48-K58 HydrophobicContact CG-CD 4.37Å; Y48-K58 VanDerWaalsContact OH-CE 3.29Å; Y48-K58 WeakPolarHBondContact OH-CE 3.26Å; Y48-K58 PolarHBondContact OH-NZ 2.92Å; Y48-K58 VanDerWaalsContact OH-NZ 3.13Å; Y48-L59 WeakPolarHBondContact O-CB 3.35Å; Y48-L59 WeakPolarHBondContact O-CD2 3.4Å; Y48-N62 HydrophobicContact CD1-CB 4.42Å; Y48-N62 HydrophobicContact CE1-CB 4.03Å; Y48-F367 VanDerWaalsContact CB-CZ 3.49Å; Y48-F367 AromaticContact CD1-CE2 3.6Å; Y48-F367 HydrophobicContact CD1-CE2 3.6Å; Y48-F367 AromaticContact CD1-CZ 3.78Å; Y48-F367 HydrophobicContact CD1-CZ 3.78Å; Y48-F367 HydrophobicContact CD2-CE2 4.5Å; Y48-F367 AromaticContact CD2-CZ 3.9Å; Y48-F367 HydrophobicContact CD2-CZ 3.9Å; Y48-F367 HydrophobicContact CE1-CE2 4.1Å; Y48-F367 HydrophobicContact CE1-CZ 4.43Å; Y48-F367 HydrophobicContact CG-CE1 4.5Å; Y48-F367 AromaticContact CG-CE2 3.83Å; Y48-F367 HydrophobicContact CG-CE2 3.83Å; Y48-F367 AromaticContact CG-CZ 3.47Å; Y48-F367 HydrophobicContact CG-CZ 3.47Å; Y48-F367 VanDerWaalsContact CG-CZ 3.47Å; Y48-L369 WeakPolarHBondContact O-CD1 3.14Å; Y48-Q372 HydrophobicContact CD2-CB 4.21Å; Y48-H382 AromaticContact CE2-CE1 3.62Å; Y48-H382 AromaticContact CZ-CE1 3.97Å
49G88.7Confident86.2Confident0 Ų044.2 Ų44.20%024%0.243CC..  trans124.6160.4-176.800000112.4Y39 L46 Q372Y39-G49 WeakPolarHBondContact OH-CA 3.22Å; Y39-G49 PolarHBondContact OH-N 3.32Å; L46-G49 VanDerWaalsContact CB-O 3.27Å; L46-G49 WeakPolarHBondContact CB-O 3.34Å; G49-Q372 PolarHBondContact O-NE2 3.37Å
50N89.5Confident86.6Confident47 Ų4743.6 Ų43.625%0.25124%0.24SC..  trans-128.6144.9163.5178.7-3.3000105.6Y39 L46 S52 C53Y39-N50 PolarHBondContact OH-N 3.5Å; L46-N50 HydrophobicContact CD1-CB 4.33Å; N50-S52 PolarHBondContact O-N 2.87Å; N50-S52 PolarHBondContact OD1-N 3.13Å; N50-C53 HydrophobicContact CB-CB 4.32Å; N50-C53 WeakPolarHBondContact O-CA 3.31Å; N50-C53 PolarHBondContact O-N 3.01Å
51Y92.7Very high87.3Confident26 Ų2640.6 Ų40.610%0.10222%0.22CC..THydrogen-bonded Turntrans-57.9-27.5175.2-62.7-62.9000112.5C53 P334 L335 M336 D342 F343 N344 L369 Q370Y51-C53 PolarHBondContact O-N 3.45Å; Y51-C53 VanDerWaalsContact O-N 3.16Å; Y51-P334 HydrophobicContact CD1-CB 4.09Å; Y51-L335 CarbonylContact O-C 3.51Å; Y51-L335 WeakPolarHBondContact O-CA 3.26Å; Y51-M336 WeakPolarHBondContact O-CB 3.38Å; Y51-M336 PolarHBondContact O-N 3.43Å; Y51-D342 WeakPolarHBondContact CB-OD2 3.4Å; Y51-D342 HydrophobicContact CD1-CB 3.76Å; Y51-D342 WeakPolarHBondContact CD2-OD2 3.47Å; Y51-D342 HydrophobicContact CG-CB 3.89Å; Y51-D342 VanDerWaalsContact CG-OD2 3.23Å; Y51-F343 WeakPolarHBondContact CD1-O 3.49Å; Y51-F343 VanDerWaalsContact CE1-O 3.24Å; Y51-F343 WeakPolarHBondContact CE1-O 3.4Å; Y51-N344 PolarHBondContact OH-OD1 3.04Å; Y51-L369 HydrophobicContact CD1-CD2 3.98Å; Y51-L369 HydrophobicContact CE1-CB 3.93Å; Y51-L369 HydrophobicContact CE1-CD2 3.92Å; Y51-L369 HydrophobicContact CE1-CG 4.49Å; Y51-L369 HydrophobicContact CE2-CB 4.47Å; Y51-L369 HydrophobicContact CG-CD2 4.4Å; Y51-Q370 HydrophobicContact CE2-CG 3.85Å
52S90.3Very high88.5Confident69 Ų6934.4 Ų34.448%0.48319%0.187SC..THydrogen-bonded Turntrans-68.7-5.7171.6-47.80000114.6N50 F858N50-S52 PolarHBondContact O-N 2.87Å; N50-S52 PolarHBondContact OD1-N 3.13Å; S52-F858 WeakPolarHBondContact O-CE1 3.46Å; S52-F858 VanDerWaalsContact O-CZ 3.26Å; S52-F858 WeakPolarHBondContact O-CZ 3.48Å
53C93Very high89.9Confident4 Ų432 Ų323%0.02718%0.177CC..SBendtrans-134.8155.3-163.9-61.20000113.5Y39 C44 N50 Y51Y39-C53 HydrophobicContact CD2-CB 4.45Å; Y39-C53 HydrophobicContact CE2-CB 3.93Å; C44-C53 HydrophobicContact CB-CB 3.82Å; C44-C53 WeakPolarHBondContact CB-SG 3.43Å; C44-C53 WeakPolarHBondContact SG-CB 3.28Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.36Å; N50-C53 HydrophobicContact CB-CB 4.32Å; N50-C53 WeakPolarHBondContact O-CA 3.31Å; N50-C53 PolarHBondContact O-N 3.01Å; Y51-C53 PolarHBondContact O-N 3.45Å; Y51-C53 VanDerWaalsContact O-N 3.16Å
54D94.6Very high91Very high1 Ų126.9 Ų26.91%0.00514%0.141CC..PPolyproline II helixtrans-67.7167.5167.5-93.4-34.7000113.4H34 D36 Y39 S56 P86 H87 S333H34-D54 HydrophobicContact CB-CB 4.26Å; H34-D54 WeakPolarHBondContact CB-OD1 3.34Å; H34-D54 IonicContact CG-OD1 3.2Å; H34-D54 WeakPolarHBondContact O-CB 3.47Å; D36-D54 HydrophobicContact CB-CB 4.16Å; Y39-D54 WeakPolarHBondContact CD2-O 3.37Å; Y39-D54 WeakPolarHBondContact CE2-O 3.29Å; D54-S56 PolarHBondContact O-N 3.13Å; D54-P86 HydrophobicContact CB-CB 4.25Å; D54-P86 VanDerWaalsContact OD2-CA 3.27Å; D54-P86 WeakPolarHBondContact OD2-CA 3.35Å; D54-P86 WeakPolarHBondContact OD2-CB 3.48Å; D54-H87 IonicContact OD1-CE1 3.25Å; D54-H87 IonicContact OD1-ND1 2.84Å; D54-H87 PolarHBondContact OD1-ND1 3.02Å; D54-H87 VanDerWaalsContact OD1-ND1 3.11Å; D54-H87 IonicContact OD2-CG 3.5Å; D54-H87 PolarHBondContact OD2-N 3Å; D54-H87 IonicContact OD2-ND1 2.78Å; D54-H87 PolarHBondContact OD2-ND1 2.87Å; D54-S333 WeakPolarHBondContact CA-OG 3.18Å; D54-S333 PolarHBondContact OD1-OG 3.04Å
55S95.4Very high91.7Very high0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-54.8124.1-178.2-67.70000112.7I33 H34 D36 S333I33-S55 WeakPolarHBondContact O-CB 3.34Å; I33-S55 PolarHBondContact O-OG 3.08Å; H34-S55 WeakPolarHBondContact O-CB 3.49Å; H34-S55 PolarHBondContact O-N 3.01Å; D36-S55 PolarHBondContact N-O 2.74Å; S55-S333 WeakPolarHBondContact OG-CA 3.27Å
56S93.8Very high92.4Very high5 Ų525 Ų254%0.03513%0.131CC..EExtended strand (participates in β ladder)trans-62.5149.1162.694.20000109.7P47 D54 K58 L59 A60P47-S56 PolarHBondContact O-OG 2.8Å; D54-S56 PolarHBondContact O-N 3.13Å; S56-K58 PolarHBondContact O-N 3.2Å; S56-K58 VanDerWaalsContact O-N 3.07Å; S56-K58 WeakPolarHBondContact OG-CB 3.36Å; S56-K58 PolarHBondContact OG-N 3.35Å; S56-L59 WeakPolarHBondContact O-CA 2.97Å; S56-L59 WeakPolarHBondContact O-CB 3.43Å; S56-L59 PolarHBondContact O-N 2.99Å; S56-L59 PolarHBondContact OG-N 3.48Å; S56-A60 PolarHBondContact O-N 2.99Å; S56-A60 VanDerWaalsContact O-N 3.07Å
57F93Very high92.8Very high73 Ų7322.7 Ų22.732%0.3212%0.119SC..Hα-helixtrans-56.8-26.8174.6-177-125.6000112.7L37 L61 L102L37-F57 HydrophobicContact CD2-CB 4.38Å; L37-F57 HydrophobicContact CD2-CD2 4.24Å; L37-F57 HydrophobicContact CD2-CG 4.36Å; F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CD2-CG 4.18Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CE2-CD1 4.1Å; F57-L61 HydrophobicContact CE2-CD2 3.85Å; F57-L61 HydrophobicContact CE2-CG 3.78Å; F57-L61 HydrophobicContact CZ-CD1 3.61Å; F57-L61 HydrophobicContact CZ-CD2 3.91Å; F57-L61 HydrophobicContact CZ-CG 3.81Å; F57-L61 WeakPolarHBondContact O-CB 3.14Å; F57-L61 WeakPolarHBondContact O-CG 3.27Å; F57-L61 PolarHBondContact O-N 3.32Å; F57-L61 VanDerWaalsContact O-N 3.11Å; F57-L102 HydrophobicContact CE2-CB 3.88Å; F57-L102 HydrophobicContact CE2-CD1 4.25Å; F57-L102 HydrophobicContact CZ-CB 4.22Å; F57-L102 HydrophobicContact CZ-CD1 4.29Å; F57-L102 HydrophobicContact CZ-CD2 4.34Å
58K92Very high93.1Very high84 Ų8425.3 Ų25.337%0.36513%0.125SC..Hα-helixtrans-67.3-40.7173.6-162.8-166.5-174.9-167.10111.5P47 Y48 S56 N62P47-K58 HydrophobicContact CB-CD 4.15Å; P47-K58 WeakPolarHBondContact O-CB 3.47Å; P47-K58 WeakPolarHBondContact O-CD 3.23Å; Y48-K58 HydrophobicContact CD1-CD 4.11Å; Y48-K58 HydrophobicContact CD1-CG 4.31Å; Y48-K58 HydrophobicContact CD2-CD 4.38Å; Y48-K58 HydrophobicContact CE1-CD 3.87Å; Y48-K58 HydrophobicContact CE1-CG 4.07Å; Y48-K58 HydrophobicContact CE2-CD 4.14Å; Y48-K58 HydrophobicContact CG-CD 4.37Å; Y48-K58 VanDerWaalsContact OH-CE 3.29Å; Y48-K58 WeakPolarHBondContact OH-CE 3.26Å; Y48-K58 PolarHBondContact OH-NZ 2.92Å; Y48-K58 VanDerWaalsContact OH-NZ 3.13Å; S56-K58 PolarHBondContact O-N 3.2Å; S56-K58 VanDerWaalsContact O-N 3.07Å; S56-K58 WeakPolarHBondContact OG-CB 3.36Å; S56-K58 PolarHBondContact OG-N 3.35Å; K58-N62 WeakPolarHBondContact O-CB 3.44Å; K58-N62 PolarHBondContact O-N 3.32Å
59L93.8Very high93.1Very high0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-64.7-50.7175.1-178.963.1000111.1Y48 S56 L61 N62 A63 P334 P345 F367 W383Y48-L59 WeakPolarHBondContact O-CB 3.35Å; Y48-L59 WeakPolarHBondContact O-CD2 3.4Å; S56-L59 WeakPolarHBondContact O-CA 2.97Å; S56-L59 WeakPolarHBondContact O-CB 3.43Å; S56-L59 PolarHBondContact O-N 2.99Å; S56-L59 PolarHBondContact OG-N 3.48Å; L59-L61 VanDerWaalsContact C-N 3.35Å; L59-L61 PolarHBondContact O-N 3.01Å; L59-N62 CarbonylContact O-C 3.52Å; L59-N62 PolarHBondContact O-N 3.37Å; L59-A63 PolarHBondContact O-N 3.42Å; L59-P334 HydrophobicContact CD2-CG 4.42Å; L59-P345 HydrophobicContact CD1-CB 4.08Å; L59-P345 HydrophobicContact CD1-CG 4.02Å; L59-P345 HydrophobicContact CD2-CB 4.11Å; L59-P345 HydrophobicContact CD2-CG 3.65Å; L59-P345 HydrophobicContact CG-CG 4.44Å; L59-F367 HydrophobicContact CD1-CD2 4.09Å; L59-F367 HydrophobicContact CD1-CE2 4.38Å; L59-F367 HydrophobicContact CD1-CG 4.47Å; L59-W383 HydrophobicContact CD1-CZ2 4.46Å
60A95.6Very high93.3Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-58.2-45.3-178.500000112.1I33 C35 S56 I64 I103I33-A60 HydrophobicContact CG2-CB 3.79Å; C35-A60 HydrophobicContact CB-CB 4.36Å; S56-A60 PolarHBondContact O-N 2.99Å; S56-A60 VanDerWaalsContact O-N 3.07Å; A60-I64 WeakPolarHBondContact O-CD1 3.32Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.44Å; A60-I64 PolarHBondContact O-N 2.81Å; A60-I103 HydrophobicContact CB-CD1 3.82Å
61L94.3Very high93.4Very high48 Ų4830.4 Ų30.425%0.25115%0.15SC..Hα-helixtrans-64.1-38.4173-70.9-175.1000112.9F57 L59 N65 A106F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CD2-CG 4.18Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CE2-CD1 4.1Å; F57-L61 HydrophobicContact CE2-CD2 3.85Å; F57-L61 HydrophobicContact CE2-CG 3.78Å; F57-L61 HydrophobicContact CZ-CD1 3.61Å; F57-L61 HydrophobicContact CZ-CD2 3.91Å; F57-L61 HydrophobicContact CZ-CG 3.81Å; F57-L61 WeakPolarHBondContact O-CB 3.14Å; F57-L61 WeakPolarHBondContact O-CG 3.27Å; F57-L61 PolarHBondContact O-N 3.32Å; F57-L61 VanDerWaalsContact O-N 3.11Å; L59-L61 VanDerWaalsContact C-N 3.35Å; L59-L61 PolarHBondContact O-N 3.01Å; L61-N65 WeakPolarHBondContact O-CB 3.16Å; L61-N65 PolarHBondContact O-N 2.98Å; L61-N65 PolarHBondContact O-ND2 3.3Å; L61-N65 VanDerWaalsContact O-ND2 3.09Å; L61-A106 HydrophobicContact CD2-CB 3.44Å; L61-A106 VanDerWaalsContact CD2-CB 3.44Å
62N93.6Very high93.2Very high12 Ų1234.1 Ų34.16%0.06419%0.186CC..Hα-helixtrans-69.2-44.1-179.5175.4-125.7000111.9Y48 K58 L59 I64 N65 S66 F367 P379 W383Y48-N62 HydrophobicContact CD1-CB 4.42Å; Y48-N62 HydrophobicContact CE1-CB 4.03Å; K58-N62 WeakPolarHBondContact O-CB 3.44Å; K58-N62 PolarHBondContact O-N 3.32Å; L59-N62 CarbonylContact O-C 3.52Å; L59-N62 PolarHBondContact O-N 3.37Å; N62-I64 PolarHBondContact O-N 3.19Å; N62-N65 PolarHBondContact O-N 3.28Å; N62-S66 VanDerWaalsContact O-CB 3.29Å; N62-S66 WeakPolarHBondContact O-CB 3.2Å; N62-S66 PolarHBondContact O-N 3.3Å; N62-S66 PolarHBondContact O-OG 3.09Å; N62-F367 WeakPolarHBondContact OD1-CE2 3.33Å; N62-P379 WeakPolarHBondContact ND2-CB 3.06Å; N62-P379 PolarHBondContact ND2-O 2.71Å; N62-W383 PolarHBondContact OD1-NE1 2.71Å
63A95.8Very high93.2Very high0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-56.2-49.6174.200000111.6L59 S66 I332 I347 W383L59-A63 PolarHBondContact O-N 3.42Å; A63-S66 PolarHBondContact O-N 3.45Å; A63-I332 HydrophobicContact CB-CD1 4.18Å; A63-I332 HydrophobicContact CB-CG1 4.37Å; A63-I332 HydrophobicContact CB-CG2 3.9Å; A63-I347 HydrophobicContact CB-CG2 4.16Å; A63-W383 HydrophobicContact CB-CH2 4.06Å; A63-W383 HydrophobicContact CB-CZ2 3.61Å
64I96.1Very high93.1Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-60.8-51.8178.3-68.1165.2000110.9L30 A60 N62 S66 T67 I103 A106 L107L30-I64 HydrophobicContact CD1-CG1 4.47Å; A60-I64 WeakPolarHBondContact O-CD1 3.32Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.44Å; A60-I64 PolarHBondContact O-N 2.81Å; N62-I64 PolarHBondContact O-N 3.19Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 3.12Å; I64-T67 WeakPolarHBondContact O-CB 3.4Å; I64-T67 WeakPolarHBondContact O-CG2 3.32Å; I64-T67 PolarHBondContact O-N 3.1Å; I64-T67 PolarHBondContact O-OG1 2.59Å; I64-I103 HydrophobicContact CD1-CD1 4.26Å; I64-I103 HydrophobicContact CD1-CG2 4.1Å; I64-A106 HydrophobicContact CD1-CB 3.91Å; I64-A106 HydrophobicContact CG2-CB 4.21Å; I64-L107 HydrophobicContact CD1-CD2 4.33Å; I64-L107 HydrophobicContact CD1-CG 4.22Å; I64-L107 HydrophobicContact CG1-CD2 4.12Å; I64-L107 HydrophobicContact CG2-CD2 4.04Å; I64-L107 HydrophobicContact CG2-CG 4.48Å
65N93.7Very high93.1Very high70 Ų7037 Ų3737%0.37419%0.193SC..Hα-helixtrans-65.6-35.7-177.3-70-28.5000112.7L61 N62 T67 R68 S110L61-N65 WeakPolarHBondContact O-CB 3.16Å; L61-N65 PolarHBondContact O-N 2.98Å; L61-N65 PolarHBondContact O-ND2 3.3Å; L61-N65 VanDerWaalsContact O-ND2 3.09Å; N62-N65 PolarHBondContact O-N 3.28Å; N65-T67 PolarHBondContact O-N 2.86Å; N65-R68 PolarHBondContact O-N 2.82Å; N65-R68 VanDerWaalsContact O-N 3.13Å; N65-S110 PolarHBondContact OD1-OG 3.32Å
66S94.1Very high93Very high1 Ų138.2 Ų38.21%0.00720%0.2CC..Hα-helixtrans-58.9-29.3178.5-73.70000113N62 A63 I64 R68 M69 L70 W383N62-S66 VanDerWaalsContact O-CB 3.29Å; N62-S66 WeakPolarHBondContact O-CB 3.2Å; N62-S66 PolarHBondContact O-N 3.3Å; N62-S66 PolarHBondContact O-OG 3.09Å; A63-S66 PolarHBondContact O-N 3.45Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 3.17Å; S66-R68 VanDerWaalsContact O-N 3.16Å; S66-M69 PolarHBondContact O-N 3.07Å; S66-L70 WeakPolarHBondContact O-CB 3.03Å; S66-L70 WeakPolarHBondContact O-CG 3.34Å; S66-L70 PolarHBondContact O-N 3.27Å; S66-W383 PolarHBondContact OG-NE1 3.34Å
67T95.2Very high93.1Very high1 Ų138 Ų381%0.00620%0.198CC..Hα-helixtrans-55.2-33.4175.865.30000113.5W28 L30 I64 N65 F111 I347W28-T67 HydrophobicContact CD2-CG2 3.81Å; W28-T67 HydrophobicContact CE3-CG2 3.99Å; W28-T67 HydrophobicContact CG-CG2 4.13Å; W28-T67 VanDerWaalsContact CZ2-O 3.29Å; W28-T67 WeakPolarHBondContact CZ2-O 3.47Å; W28-T67 HydrophobicContact CZ3-CG2 4.45Å; W28-T67 PolarHBondContact NE1-O 3.48Å; L30-T67 HydrophobicContact CD1-CG2 4.34Å; L30-T67 HydrophobicContact CD2-CG2 3.97Å; I64-T67 WeakPolarHBondContact O-CB 3.4Å; I64-T67 WeakPolarHBondContact O-CG2 3.32Å; I64-T67 PolarHBondContact O-N 3.1Å; I64-T67 PolarHBondContact O-OG1 2.59Å; N65-T67 PolarHBondContact O-N 2.86Å; T67-F111 VanDerWaalsContact OG1-CE2 3.3Å; T67-F111 WeakPolarHBondContact OG1-CE2 3.42Å; T67-F111 WeakPolarHBondContact OG1-CZ 3.38Å; T67-I347 HydrophobicContact CG2-CD1 4.28Å
68R91.2Very high93.4Very high81 Ų8134.5 Ų34.531%0.30618%0.183SC..Hα-helixtrans-88.2-14.8178.3-65.4-69.2-93.9141.2-11.6113.7N65 S66 S110 F111N65-R68 PolarHBondContact O-N 2.82Å; N65-R68 VanDerWaalsContact O-N 3.13Å; S66-R68 PolarHBondContact O-N 3.17Å; S66-R68 VanDerWaalsContact O-N 3.16Å; R68-S110 VanDerWaalsContact CD-O 3.32Å; R68-S110 WeakPolarHBondContact CD-O 3.49Å; R68-S110 WeakPolarHBondContact CG-O 3.04Å; R68-S110 PolarHBondContact NE-O 3.28Å; R68-F111 HydrophobicContact CG-CE1 4.27Å; R68-F111 HydrophobicContact CG-CZ 4.29Å
69M88Confident93.7Very high94 Ų9430.5 Ų30.546%0.46317%0.165SC..Hα-helixtrans-93.2-38.4178.3-55.9-175.375.900111.6S66 L380S66-M69 PolarHBondContact O-N 3.07Å; M69-L380 HydrophobicContact CB-CD2 3.81Å; M69-L380 HydrophobicContact CE-CD1 3.99Å; M69-L380 HydrophobicContact CE-CD2 3.96Å; M69-L380 HydrophobicContact CE-CG 3.68Å; M69-L380 HydrophobicContact SD-CD2 4.43Å
70L92.6Very high93.9Very high45 Ų4530.5 Ų30.524%0.23617%0.165CC..Hα-helixtrans-74.1-29177.2-65.5167.5000112.6W28 S66 I347 Y365 W383W28-L70 HydrophobicContact CH2-CB 4.25Å; W28-L70 HydrophobicContact CH2-CD1 4.21Å; W28-L70 HydrophobicContact CZ2-CB 4.32Å; S66-L70 WeakPolarHBondContact O-CB 3.03Å; S66-L70 WeakPolarHBondContact O-CG 3.34Å; S66-L70 PolarHBondContact O-N 3.27Å; L70-I347 HydrophobicContact CD1-CD1 3.92Å; L70-Y365 HydrophobicContact CB-CE1 4.41Å; L70-Y365 HydrophobicContact CD1-CD1 3.86Å; L70-Y365 HydrophobicContact CD1-CE1 4.29Å; L70-Y365 HydrophobicContact CD1-CG 4Å; L70-Y365 HydrophobicContact CD2-CD1 4.11Å; L70-Y365 HydrophobicContact CD2-CE1 4.09Å; L70-Y365 HydrophobicContact CG-CD1 4.47Å; L70-W383 HydrophobicContact CD1-CB 4.2Å; L70-W383 HydrophobicContact CD2-CB 4.42Å
71F93Very high94Very high25 Ų2530.5 Ų30.511%0.1117%0.165CC..  trans-126.6106.3-178.1-170.1-116.5000111.9Y26 W28 K73 P75 L349Y26-F71 HydrophobicContact CD1-CE1 4.46Å; Y26-F71 AromaticContact CD1-CE2 3.75Å; Y26-F71 HydrophobicContact CD1-CE2 3.75Å; Y26-F71 AromaticContact CD1-CZ 3.53Å; Y26-F71 HydrophobicContact CD1-CZ 3.53Å; Y26-F71 AromaticContact CD2-CZ 3.72Å; Y26-F71 HydrophobicContact CD2-CZ 3.72Å; Y26-F71 AromaticContact CE1-CE2 3.97Å; Y26-F71 HydrophobicContact CE1-CE2 3.97Å; Y26-F71 HydrophobicContact CE1-CZ 4.06Å; Y26-F71 HydrophobicContact CE2-CZ 4.25Å; Y26-F71 HydrophobicContact CG-CE1 4.07Å; Y26-F71 HydrophobicContact CG-CE2 4.06Å; Y26-F71 AromaticContact CG-CZ 3.34Å; Y26-F71 HydrophobicContact CG-CZ 3.34Å; W28-F71 HydrophobicContact CZ2-CB 3.79Å; F71-K73 HydrophobicContact CD1-CB 4.39Å; F71-K73 WeakPolarHBondContact CD1-O 3.48Å; F71-K73 HydrophobicContact CE1-CB 3.71Å; F71-K73 WeakPolarHBondContact CE1-O 3.41Å; F71-K73 HydrophobicContact CE2-CB 4.22Å; F71-K73 HydrophobicContact CZ-CB 3.61Å; F71-K73 HydrophobicContact CZ-CD 4.38Å; F71-K73 HydrophobicContact CZ-CG 4.41Å; F71-P75 HydrophobicContact CE1-CB 4.45Å; F71-L349 HydrophobicContact CB-CD2 4.14Å; F71-L349 HydrophobicContact CD1-CD1 4.35Å; F71-L349 HydrophobicContact CD1-CD2 4.47Å; F71-L349 HydrophobicContact CD2-CD2 3.47Å; F71-L349 VanDerWaalsContact CD2-CD2 3.47Å; F71-L349 HydrophobicContact CE2-CD2 3.9Å; F71-L349 HydrophobicContact CG-CD1 4.43Å; F71-L349 HydrophobicContact CG-CD2 3.79Å
72A88.2Confident94.1Very high103 Ų10328.2 Ų28.285%0.85115%0.153SC*.  trans-79.7-19-174.300000114.8
73K90.4Very high94.3Very high93 Ų9327.8 Ų27.840%0.40415%0.151SC..SBendtrans-75.9151.7169.1-68.6-176.6176.5-172.80108.7D21 F71D21-K73 IonicContact OD1-NZ 2.89Å; D21-K73 PolarHBondContact OD1-NZ 2.87Å; D21-K73 IonicContact OD2-NZ 3.42Å; D21-K73 PolarHBondContact OD2-NZ 3.18Å; F71-K73 HydrophobicContact CD1-CB 4.39Å; F71-K73 WeakPolarHBondContact CD1-O 3.48Å; F71-K73 HydrophobicContact CE1-CB 3.71Å; F71-K73 WeakPolarHBondContact CE1-O 3.41Å; F71-K73 HydrophobicContact CE2-CB 4.22Å; F71-K73 HydrophobicContact CZ-CB 3.61Å; F71-K73 HydrophobicContact CZ-CD 4.38Å; F71-K73 HydrophobicContact CZ-CG 4.41Å
74T91Very high94.4Very high38 Ų3827.9 Ų27.923%0.23315%0.151CC..PPolyproline II helixtrans-72.7128.6167.9-51.40000108.3V116 R172T74-V116 HydrophobicContact CG2-CG2 3.45Å; T74-V116 VanDerWaalsContact CG2-CG2 3.45Å; T74-R172 PolarHBondContact OG1-NH2 3.14Å; T74-R172 VanDerWaalsContact OG1-NH2 3.12Å
75P94.9Very high94.3Very high5 Ų527.9 Ų27.93%0.03215%0.152CC..PPolyproline II helixtrans-73.1157.7172.733-36.3000111.1Y26 F71 F111 V116Y26-P75 CarbonylContact O-C 3.56Å; Y26-P75 WeakPolarHBondContact O-CA 3.5Å; Y26-P75 WeakPolarHBondContact O-CB 3.27Å; F71-P75 HydrophobicContact CE1-CB 4.45Å; P75-F111 HydrophobicContact CG-CD1 4.22Å; P75-F111 HydrophobicContact CG-CE1 3.62Å; P75-V116 HydrophobicContact CG-CG1 4.26Å
76D93.3Very high94.4Very high25 Ų2525 Ų2513%0.13414%0.136CC..SBendtrans-69.8-36.3179.3-60.7-106.6000111.9G25 Y26 Y203 F352 R354G25-D76 VanDerWaalsContact CA-OD2 3.28Å; G25-D76 WeakPolarHBondContact CA-OD2 3.3Å; Y26-D76 PolarHBondContact N-OD2 3.44Å; Y26-D76 PolarHBondContact O-N 3.35Å; D76-Y203 HydrophobicContact CB-CE1 4.49Å; D76-Y203 WeakPolarHBondContact OD1-CE1 3.29Å; D76-F352 HydrophobicContact CB-CZ 4.33Å; D76-R354 VanDerWaalsContact CG-NH2 3.26Å; D76-R354 IonicContact OD1-CZ 3.62Å; D76-R354 VanDerWaalsContact OD1-CZ 3.25Å; D76-R354 IonicContact OD1-NE 3.1Å; D76-R354 PolarHBondContact OD1-NE 3.21Å; D76-R354 IonicContact OD1-NH2 3.49Å; D76-R354 PolarHBondContact OD1-NH2 2.84Å; D76-R354 IonicContact OD2-CZ 3.43Å; D76-R354 IonicContact OD2-NE 2.69Å; D76-R354 IonicContact OD2-NH2 2.73Å; D76-R354 PolarHBondContact OD2-NH2 3.16Å
77F95.7Very high94.3Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-161.2177.6175.456.9-87.4000111.2F27 I79 Y117 L201 L214 L216 L260 F352F27-F77 VanDerWaalsContact CA-O 3.32Å; F27-F77 WeakPolarHBondContact CA-O 3.27Å; F27-F77 HydrophobicContact CB-CD1 4.22Å; F27-F77 HydrophobicContact CB-CD2 3.63Å; F27-F77 HydrophobicContact CB-CE1 4.07Å; F27-F77 HydrophobicContact CB-CE2 3.46Å; F27-F77 VanDerWaalsContact CB-CE2 3.46Å; F27-F77 HydrophobicContact CB-CG 4.01Å; F27-F77 HydrophobicContact CB-CZ 3.7Å; F27-F77 VanDerWaalsContact CB-O 3.25Å; F27-F77 WeakPolarHBondContact CB-O 3.31Å; F27-F77 HydrophobicContact CD1-CE1 4.1Å; F27-F77 AromaticContact CD1-CE2 3.78Å; F27-F77 HydrophobicContact CD1-CE2 3.78Å; F27-F77 AromaticContact CD1-CZ 3.39Å; F27-F77 HydrophobicContact CD1-CZ 3.39Å; F27-F77 HydrophobicContact CD2-CD2 4.31Å; F27-F77 AromaticContact CD2-CE2 3.58Å; F27-F77 HydrophobicContact CD2-CE2 3.58Å; F27-F77 HydrophobicContact CD2-CZ 4.09Å; F27-F77 HydrophobicContact CE1-CE2 4.38Å; F27-F77 AromaticContact CE1-CZ 3.96Å; F27-F77 HydrophobicContact CE1-CZ 3.96Å; F27-F77 HydrophobicContact CE2-CE2 4.2Å; F27-F77 HydrophobicContact CG-CD2 4.02Å; F27-F77 HydrophobicContact CG-CE1 4.25Å; F27-F77 AromaticContact CG-CE2 3.33Å; F27-F77 HydrophobicContact CG-CE2 3.33Å; F27-F77 AromaticContact CG-CZ 3.47Å; F27-F77 HydrophobicContact CG-CZ 3.47Å; F27-F77 VanDerWaalsContact CG-CZ 3.47Å; F77-I79 HydrophobicContact CD2-CD1 3.77Å; F77-I79 HydrophobicContact CD2-CG1 4.18Å; F77-I79 HydrophobicContact CE2-CD1 3.75Å; F77-I79 HydrophobicContact CE2-CG1 3.99Å; F77-Y117 CarbonylContact C-O 3.59Å; F77-Y117 VanDerWaalsContact CA-O 3.28Å; F77-Y117 WeakPolarHBondContact CA-O 3.28Å; F77-Y117 WeakPolarHBondContact CB-O 3.03Å; F77-L201 HydrophobicContact CB-CD1 4.26Å; F77-L201 HydrophobicContact CD1-CD1 3.51Å; F77-L201 HydrophobicContact CE1-CD1 4.04Å; F77-L201 HydrophobicContact CG-CD1 3.99Å; F77-L214 HydrophobicContact CE1-CD2 3.79Å; F77-L214 HydrophobicContact CZ-CD2 3.88Å; F77-L216 HydrophobicContact CD2-CD1 4.22Å; F77-L216 HydrophobicContact CD2-CD2 4.4Å; F77-L216 HydrophobicContact CE2-CD2 4.08Å; F77-L216 HydrophobicContact CG-CD1 4.4Å; F77-L216 HydrophobicContact CZ-CD2 4.23Å; F77-L260 HydrophobicContact CE2-CD2 3.59Å; F77-L260 HydrophobicContact CZ-CD2 3.66Å; F77-F352 HydrophobicContact CE1-CE1 4.06Å; F77-F352 HydrophobicContact CE1-CZ 4.1Å
78V97.9Very high94Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-131.4141.1172.5-177.70000110W28 L30 F111 V116 Y117 I118 L119W28-V78 HydrophobicContact CB-CG1 4.08Å; W28-V78 HydrophobicContact CB-CG2 4.29Å; W28-V78 WeakPolarHBondContact O-CA 3.04Å; L30-V78 HydrophobicContact CD1-CG1 4.47Å; V78-F111 HydrophobicContact CG2-CD1 3.99Å; V78-F111 HydrophobicContact CG2-CD2 3.96Å; V78-F111 HydrophobicContact CG2-CE1 3.88Å; V78-F111 HydrophobicContact CG2-CE2 3.86Å; V78-F111 HydrophobicContact CG2-CG 4.02Å; V78-F111 HydrophobicContact CG2-CZ 3.81Å; V78-V116 HydrophobicContact CG2-CG1 4Å; V78-Y117 PolarHBondContact N-O 3.49Å; V78-I118 HydrophobicContact CB-CB 4.47Å; V78-I118 HydrophobicContact CB-CG1 4.13Å; V78-I118 HydrophobicContact CB-CG2 4.18Å; V78-I118 HydrophobicContact CG1-CG2 4.31Å; V78-I118 CarbonylContact O-C 3.34Å; V78-I118 WeakPolarHBondContact O-CA 3.17Å; V78-L119 PolarHBondContact O-N 3.12Å
79I98.6Very high93.7Very high0 Ų027 Ų270%015%0.152CC..EExtended strand (participates in β ladder)trans-104.7131.2171-55.5-55.5000108.9F27 W28 H29 L30 F77 L119 L260 V262 L303F27-I79 HydrophobicContact CD2-CG1 3.99Å; F27-I79 HydrophobicContact CE2-CG1 4.2Å; W28-I79 PolarHBondContact O-N 3.15Å; H29-I79 WeakPolarHBondContact CA-O 3.31Å; H29-I79 HydrophobicContact CB-CB 4.44Å; L30-I79 PolarHBondContact N-O 3.47Å; F77-I79 HydrophobicContact CD2-CD1 3.77Å; F77-I79 HydrophobicContact CD2-CG1 4.18Å; F77-I79 HydrophobicContact CE2-CD1 3.75Å; F77-I79 HydrophobicContact CE2-CG1 3.99Å; I79-L119 HydrophobicContact CD1-CB 3.87Å; I79-L119 HydrophobicContact CD1-CD2 3.94Å; I79-L260 HydrophobicContact CD1-CD2 4.34Å; I79-V262 HydrophobicContact CD1-CG2 4.18Å; I79-V262 HydrophobicContact CG2-CB 4.46Å; I79-V262 HydrophobicContact CG2-CG1 3.69Å; I79-V262 HydrophobicContact CG2-CG2 4Å; I79-L303 HydrophobicContact CG1-CD1 4.1Å; I79-L303 HydrophobicContact CG2-CD1 4.49Å
80W98.4Very high93.8Very high0 Ų026.6 Ų26.60%016%0.158CC..EExtended strand (participates in β ladder)trans-128.396.6176.1171.528.5000108.6L30 G82 N84 I100 I103 S104 L107 I118 L119 P120 V121 W156 W159L30-W80 VanDerWaalsContact O-CA 3.3Å; L30-W80 WeakPolarHBondContact O-CA 3.37Å; W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 PolarHBondContact O-N 2.97Å; W80-N84 VanDerWaalsContact CE2-OD1 3.32Å; W80-N84 WeakPolarHBondContact CZ2-OD1 3.43Å; W80-N84 PolarHBondContact NE1-OD1 2.87Å; W80-I100 HydrophobicContact CH2-CG2 4.31Å; W80-I103 HydrophobicContact CH2-CG2 4.08Å; W80-I103 HydrophobicContact CZ2-CB 4.23Å; W80-I103 HydrophobicContact CZ2-CG2 3.46Å; W80-I103 VanDerWaalsContact CZ2-CG2 3.46Å; W80-S104 WeakPolarHBondContact CH2-OG 3.47Å; W80-L107 HydrophobicContact CD2-CD1 3.52Å; W80-L107 HydrophobicContact CE3-CD1 3.37Å; W80-L107 HydrophobicContact CG-CD1 4.15Å; W80-L107 HydrophobicContact CH2-CD1 3.91Å; W80-L107 HydrophobicContact CZ2-CD1 4.06Å; W80-L107 HydrophobicContact CZ3-CD1 3.59Å; W80-I118 HydrophobicContact CB-CG2 4.12Å; W80-L119 PolarHBondContact N-O 3.35Å; W80-P120 HydrophobicContact CE3-CB 3.81Å; W80-P120 HydrophobicContact CZ3-CB 4.21Å; W80-P120 CarbonylContact O-C 3.52Å; W80-P120 WeakPolarHBondContact O-CA 3.33Å; W80-V121 PolarHBondContact O-N 3.16Å; W80-W156 AromaticContact CH2-CD1 3.87Å; W80-W156 AromaticContact CH2-NE1 3.16Å; W80-W156 AromaticContact CZ3-CD1 3.61Å; W80-W156 AromaticContact CZ3-NE1 3.23Å; W80-W159 HydrophobicContact CE3-CZ3 4.44Å; W80-W159 HydrophobicContact CZ3-CH2 4.31Å; W80-W159 AromaticContact CZ3-CZ3 3.77Å; W80-W159 HydrophobicContact CZ3-CZ3 3.77Å
81S98.4Very high93.8Very high0 Ų025.6 Ų25.60%015%0.153CC..  trans-89.730.8-16742.20000115.6H29 L30 S31 H264H29-S81 PolarHBondContact NE2-OG 3.48Å; L30-S81 PolarHBondContact O-N 2.9Å; S31-S81 WeakPolarHBondContact CB-OG 3.4Å; S31-S81 WeakPolarHBondContact OG-CB 3.44Å; S31-S81 PolarHBondContact OG-O 3.12Å; S31-S81 PolarHBondContact OG-OG 3.31Å; S81-H264 PolarHBondContact O-ND1 2.82Å
82G96.3Very high93.9Very high0 Ų027.8 Ų27.80%017%0.169CC..  trans92.6-162.3168.500000115.6D32 W80 V121 D126D32-G82 PolarHBondContact N-O 2.9Å; W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 PolarHBondContact O-N 2.97Å; G82-V121 WeakPolarHBondContact CA-O 3.41Å; G82-V121 PolarHBondContact N-O 3.41Å; G82-D126 WeakPolarHBondContact CA-OD2 3.07Å
83D98Very high94.1Very high3 Ų325.3 Ų25.32%0.01615%0.145CC..  trans53.477.6179.8-9026.3000114.9I33 H34 G123 N124 H125 D126 H264I33-D83 PolarHBondContact N-O 3.08Å; H34-D83 IonicContact CE1-OD2 3.92Å; H34-D83 PolarHBondContact CE1-OD2 2.87Å; H34-D83 VanDerWaalsContact CE1-OD2 3.24Å; H34-D83 PolarHBondContact N-O 2.92Å; H34-D83 IonicContact NE2-OD2 2.87Å; D83-G123 WeakPolarHBondContact OD1-CA 3.48Å; D83-N124 PolarHBondContact OD1-N 3.31Å; D83-H125 HydrophobicContact CB-CB 4.43Å; D83-H125 PolarHBondContact OD1-N 3.27Å; D83-H125 IonicContact OD2-CD2 3.71Å; D83-H125 PolarHBondContact OD2-CD2 3.35Å; D83-H125 IonicContact OD2-CG 2.67Å; D83-H125 PolarHBondContact OD2-N 2.94Å; D83-D126 PolarHBondContact N-OD2 2.03Å; D83-H264 IonicContact OD1-CE1 3.19Å; D83-H264 IonicContact OD1-NE2 3.84Å; D83-H264 IonicContact OD2-CE1 3.58Å; D83-H264 IonicContact OD2-NE2 2.78Å
84N97.2Very high94.3Very high1 Ų125.8 Ų25.81%0.00515%0.152CC..  trans-103.8-24.5-178.4-58.8-79.7000113.1C35 W80 I100 D126C35-N84 PolarHBondContact N-O 3.1Å; W80-N84 VanDerWaalsContact CE2-OD1 3.32Å; W80-N84 WeakPolarHBondContact CZ2-OD1 3.43Å; W80-N84 PolarHBondContact NE1-OD1 2.87Å; N84-I100 HydrophobicContact CB-CG1 3.85Å; N84-D126 WeakPolarHBondContact CB-OD1 3.35Å; N84-D126 PolarHBondContact N-OD1 3.44Å; N84-D126 PolarHBondContact ND2-OD1 3.09Å
85G94.7Very high94.6Very high1 Ų128 Ų281%0.0116%0.16CC..SBendtrans-74.9140.2174.300000111.8H34 L96 H125H34-G85 WeakPolarHBondContact CA-O 3.33Å; H34-G85 PolarHBondContact ND1-O 3.21Å; G85-L96 VanDerWaalsContact CA-CD1 3.49Å; G85-H125 WeakPolarHBondContact O-CB 3.22Å
86P94.8Very high94.6Very high8 Ų827.9 Ų27.95%0.05216%0.159CC..  trans-66.1168.5169.430.2-36.6000112.3D36 D54 D88 L91 H125D36-P86 HydrophobicContact CB-CB 3.92Å; D36-P86 HydrophobicContact CB-CG 4.3Å; D54-P86 HydrophobicContact CB-CB 4.25Å; D54-P86 VanDerWaalsContact OD2-CA 3.27Å; D54-P86 WeakPolarHBondContact OD2-CA 3.35Å; D54-P86 WeakPolarHBondContact OD2-CB 3.48Å; P86-D88 VanDerWaalsContact C-N 3.32Å; P86-D88 HydrophobicContact CB-CB 4.31Å; P86-D88 HydrophobicContact CG-CB 3.97Å; P86-D88 PolarHBondContact O-N 3.49Å; P86-L91 HydrophobicContact CG-CD2 4.47Å; P86-H125 PolarHBondContact O-ND1 2.76Å
87H91.9Very high94.8Very high39 Ų3926.9 Ų26.918%0.18115%0.154CC..SBendtrans-74.384.4167.8-57.782.3000108.5H34 D54 H125 L335 L620H34-H87 AromaticContact CD2-CE1 3.83Å; H34-H87 AromaticContact CE1-CE1 3.32Å; H34-H87 PolarHBondContact CE1-CE1 3.11Å; H34-H87 AromaticContact CE1-NE2 3.74Å; H34-H87 AromaticContact CG-CE1 3.63Å; H34-H87 AromaticContact CG-ND1 3.97Å; H34-H87 AromaticContact ND1-CE1 3.32Å; H34-H87 PolarHBondContact ND1-CE1 2.83Å; H34-H87 VanDerWaalsContact ND1-CE1 3.32Å; H34-H87 AromaticContact ND1-ND1 3.71Å; H34-H87 AromaticContact NE2-CE1 3.67Å; D54-H87 IonicContact OD1-CE1 3.25Å; D54-H87 IonicContact OD1-ND1 2.84Å; D54-H87 PolarHBondContact OD1-ND1 3.02Å; D54-H87 VanDerWaalsContact OD1-ND1 3.11Å; D54-H87 IonicContact OD2-CG 3.5Å; D54-H87 PolarHBondContact OD2-N 3Å; D54-H87 IonicContact OD2-ND1 2.78Å; D54-H87 PolarHBondContact OD2-ND1 2.87Å; H87-H125 AromaticContact CD2-CE1 3.43Å; H87-H125 PolarHBondContact CD2-CE1 2.99Å; H87-H125 VanDerWaalsContact CD2-CE1 3.43Å; H87-H125 AromaticContact CD2-NE2 3.76Å; H87-H125 AromaticContact CG-CE1 3.88Å; H87-H125 AromaticContact NE2-CE1 3.96Å; H87-H125 AromaticContact NE2-NE2 3.95Å; H87-L335 HydrophobicContact CB-CD2 4.26Å; H87-L335 VanDerWaalsContact ND1-CD2 3.29Å; H87-L335 WeakPolarHBondContact ND1-CD2 3.06Å; H87-L620 HydrophobicContact CB-CD1 4.1Å
88D89.7Confident94.8Very high21 Ų2130.9 Ų30.911%0.11218%0.175CC..  trans-15891-168.8-170.8-36.3000110.9K38 K42 P86 S90 L91K38-D88 WeakPolarHBondContact CD-OD2 3.34Å; K38-D88 WeakPolarHBondContact CE-OD2 3.48Å; K38-D88 IonicContact NZ-OD1 3.11Å; K38-D88 PolarHBondContact NZ-OD1 3.46Å; K38-D88 IonicContact NZ-OD2 3.04Å; K38-D88 PolarHBondContact NZ-OD2 3.24Å; K42-D88 WeakPolarHBondContact CE-OD2 3.23Å; K42-D88 IonicContact NZ-OD2 3.7Å; K42-D88 PolarHBondContact NZ-OD2 3.3Å; P86-D88 VanDerWaalsContact C-N 3.32Å; P86-D88 HydrophobicContact CB-CB 4.31Å; P86-D88 HydrophobicContact CG-CB 3.97Å; P86-D88 PolarHBondContact O-N 3.49Å; D88-S90 PolarHBondContact O-N 3.12Å; D88-S90 VanDerWaalsContact O-N 3.11Å; D88-S90 WeakPolarHBondContact OD1-CA 3.32Å; D88-S90 WeakPolarHBondContact OD1-CB 3.48Å; D88-S90 PolarHBondContact OD1-N 3.26Å; D88-L91 HydrophobicContact CB-CB 4.46Å; D88-L91 WeakPolarHBondContact O-CB 3.17Å; D88-L91 PolarHBondContact O-N 3.14Å; D88-L91 PolarHBondContact OD1-N 3.46Å
89D85.6Confident94.7Very high65 Ų6531.1 Ų31.135%0.34818%0.177SC..THydrogen-bonded Turntrans-66.2-11.4179.6-62.7-73.2000114L91 L620 E856D89-L91 PolarHBondContact O-N 3.45Å; D89-L620 WeakPolarHBondContact OD2-CB 3.39Å; D89-L620 WeakPolarHBondContact OD2-CD1 3.25Å; D89-E856 HydrophobicContact CB-CG 4.28Å; D89-E856 WeakPolarHBondContact OD2-CG 3.17Å
90S90.3Very high94.7Very high86 Ų8631.1 Ų31.160%0.60118%0.177SC*.THydrogen-bonded Turntrans-74.7-7.1169.2147.20000113.1K38 D88 T92K38-S90 PolarHBondContact NZ-OG 2.99Å; D88-S90 PolarHBondContact O-N 3.12Å; D88-S90 VanDerWaalsContact O-N 3.11Å; D88-S90 WeakPolarHBondContact OD1-CA 3.32Å; D88-S90 WeakPolarHBondContact OD1-CB 3.48Å; D88-S90 PolarHBondContact OD1-N 3.26Å; S90-T92 PolarHBondContact O-N 3.37Å
91L91Very high94.7Very high25 Ų2534.1 Ų34.113%0.13119%0.189CC..  trans-71.5124.4-175.3-170.670.8000112.1P86 D88 D89 Q95 L96 V128P86-L91 HydrophobicContact CG-CD2 4.47Å; D88-L91 HydrophobicContact CB-CB 4.46Å; D88-L91 WeakPolarHBondContact O-CB 3.17Å; D88-L91 PolarHBondContact O-N 3.14Å; D88-L91 PolarHBondContact OD1-N 3.46Å; D89-L91 PolarHBondContact O-N 3.45Å; L91-Q95 HydrophobicContact CD1-CB 3.59Å; L91-Q95 HydrophobicContact CG-CB 4.33Å; L91-L96 HydrophobicContact CD2-CB 3.79Å; L91-L96 HydrophobicContact CD2-CD1 4.04Å; L91-L96 HydrophobicContact CD2-CG 4.38Å; L91-L96 HydrophobicContact CG-CB 4.2Å; L91-V128 VanDerWaalsContact O-CG1 3.23Å; L91-V128 WeakPolarHBondContact O-CG1 3.42Å
92T94.8Very high94.6Very high71 Ų7136.5 Ų36.544%0.43620%0.201SC..  trans-84.8155174.9770000112.2S90 D94 Q95 L96S90-T92 PolarHBondContact O-N 3.37Å; T92-D94 PolarHBondContact O-N 3.42Å; T92-D94 VanDerWaalsContact O-N 3.15Å; T92-Q95 WeakPolarHBondContact O-CA 3.4Å; T92-Q95 WeakPolarHBondContact O-CB 2.93Å; T92-Q95 PolarHBondContact O-N 2.99Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.21Å; T92-Q95 PolarHBondContact OG1-N 3.44Å; T92-L96 PolarHBondContact O-N 3.25Å
93S94Very high94.7Very high50 Ų5036.5 Ų36.535%0.3520%0.201SC..Hα-helixtrans-57-33.6-177.4-36.20000113.3L97 W145S93-L97 WeakPolarHBondContact O-CD1 3.33Å; S93-L97 VanDerWaalsContact O-CG 3.24Å; S93-L97 WeakPolarHBondContact O-CG 3.45Å; S93-L97 PolarHBondContact O-N 2.92Å; S93-L97 VanDerWaalsContact O-N 3.13Å; S93-W145 WeakPolarHBondContact O-CH2 3.46Å
94D94.8Very high94.6Very high104 Ų10436.4 Ų36.456%0.55620%0.2SC*.Hα-helixtrans-80.4-27174.8-78.8-44.4000113.5T92 N98 K148T92-D94 PolarHBondContact O-N 3.42Å; T92-D94 VanDerWaalsContact O-N 3.15Å; D94-N98 WeakPolarHBondContact O-CB 3.27Å; D94-N98 PolarHBondContact O-N 3.26Å; D94-K148 IonicContact OD1-NZ 3.38Å; D94-K148 PolarHBondContact OD1-NZ 3.49Å
95Q95.3Very high94.6Very high84 Ų8442.2 Ų42.239%0.39323%0.226SC..Hα-helixtrans-66.5-45.5169.7-72.8170.3-13.600110.7L91 T92 N98 G99L91-Q95 HydrophobicContact CD1-CB 3.59Å; L91-Q95 HydrophobicContact CG-CB 4.33Å; T92-Q95 WeakPolarHBondContact O-CA 3.4Å; T92-Q95 WeakPolarHBondContact O-CB 2.93Å; T92-Q95 PolarHBondContact O-N 2.99Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.21Å; T92-Q95 PolarHBondContact OG1-N 3.44Å; Q95-N98 WeakPolarHBondContact O-CB 3.33Å; Q95-N98 PolarHBondContact O-N 3.15Å; Q95-G99 PolarHBondContact O-N 3.32Å
96L96.4Very high94.7Very high3 Ų342.2 Ų42.22%0.01623%0.226CC..Hα-helixtrans-58-49.5174.2176.456.7000111.5G85 L91 T92 N98 G99 I100 H125 V128 W145G85-L96 VanDerWaalsContact CA-CD1 3.49Å; L91-L96 HydrophobicContact CD2-CB 3.79Å; L91-L96 HydrophobicContact CD2-CD1 4.04Å; L91-L96 HydrophobicContact CD2-CG 4.38Å; L91-L96 HydrophobicContact CG-CB 4.2Å; T92-L96 PolarHBondContact O-N 3.25Å; L96-N98 PolarHBondContact O-N 3.35Å; L96-G99 WeakPolarHBondContact O-CA 3.09Å; L96-G99 PolarHBondContact O-N 2.92Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.12Å; L96-I100 HydrophobicContact CD2-CD1 4.5Å; L96-I100 HydrophobicContact CG-CD1 3.86Å; L96-I100 HydrophobicContact CG-CG1 4.44Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.96Å; L96-H125 WeakPolarHBondContact CD1-O 3.28Å; L96-H125 WeakPolarHBondContact CD2-O 3.08Å; L96-V128 HydrophobicContact CB-CG2 4.05Å; L96-V128 HydrophobicContact CD2-CG2 3.76Å; L96-W145 HydrophobicContact CB-CH2 4.38Å; L96-W145 HydrophobicContact CD2-CH2 3.81Å; L96-W145 HydrophobicContact CD2-CZ2 3.65Å; L96-W145 HydrophobicContact CG-CH2 4.16Å; L96-W145 HydrophobicContact CG-CZ2 4.25Å
97L96.5Very high94.8Very high4 Ų441.8 Ų41.82%0.02122%0.223CC..Hα-helixtrans-63.4-28.1177.9-72167.9000113.4S93 R101 W145 K148 L149 L155S93-L97 WeakPolarHBondContact O-CD1 3.33Å; S93-L97 VanDerWaalsContact O-CG 3.24Å; S93-L97 WeakPolarHBondContact O-CG 3.45Å; S93-L97 PolarHBondContact O-N 2.92Å; S93-L97 VanDerWaalsContact O-N 3.13Å; L97-R101 VanDerWaalsContact O-CB 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.29Å; L97-R101 PolarHBondContact O-N 2.99Å; L97-W145 HydrophobicContact CD1-CE3 4.13Å; L97-W145 HydrophobicContact CD1-CH2 3.95Å; L97-W145 HydrophobicContact CD1-CZ3 3.42Å; L97-W145 VanDerWaalsContact CD1-CZ3 3.42Å; L97-W145 HydrophobicContact CD2-CE3 4.48Å; L97-W145 HydrophobicContact CD2-CH2 3.75Å; L97-W145 HydrophobicContact CD2-CZ2 4.13Å; L97-W145 HydrophobicContact CD2-CZ3 3.92Å; L97-W145 HydrophobicContact CG-CE3 4.44Å; L97-W145 HydrophobicContact CG-CH2 3.47Å; L97-W145 VanDerWaalsContact CG-CH2 3.47Å; L97-W145 HydrophobicContact CG-CZ2 4.33Å; L97-W145 HydrophobicContact CG-CZ3 3.52Å; L97-K148 HydrophobicContact CD1-CD 3.57Å; L97-K148 VanDerWaalsContact CD1-CE 3.41Å; L97-K148 HydrophobicContact CD1-CG 4.31Å; L97-L149 HydrophobicContact CD2-CD2 3.65Å; L97-L149 HydrophobicContact CD2-CG 4.16Å; L97-L155 HydrophobicContact CD2-CD1 3.93Å
98N96.2Very high95Very high83 Ų8341.5 Ų41.544%0.44422%0.221SC..Hα-helixtrans-69.2-41.6171.7-171.454.7000111.3D94 Q95 L96 R101 L102D94-N98 WeakPolarHBondContact O-CB 3.27Å; D94-N98 PolarHBondContact O-N 3.26Å; Q95-N98 WeakPolarHBondContact O-CB 3.33Å; Q95-N98 PolarHBondContact O-N 3.15Å; L96-N98 PolarHBondContact O-N 3.35Å; N98-R101 PolarHBondContact O-N 3.08Å; N98-L102 WeakPolarHBondContact O-CG 3.48Å; N98-L102 PolarHBondContact O-N 3.47Å
99G96.4Very high95.2Very high5 Ų546.9 Ų46.95%0.05225%0.246CC..Hα-helixtrans-57-54.7170.100000112.3Q95 L96 R101 L102 I103Q95-G99 PolarHBondContact O-N 3.32Å; L96-G99 WeakPolarHBondContact O-CA 3.09Å; L96-G99 PolarHBondContact O-N 2.92Å; G99-R101 PolarHBondContact O-N 3.48Å; G99-L102 PolarHBondContact O-N 3.24Å; G99-I103 WeakPolarHBondContact O-CG1 3.45Å; G99-I103 PolarHBondContact O-N 3.5Å
100I97.7Very high95.6Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-57.6-35.2177.7-61.5169.5000111.2W80 N84 L96 S104 L149 L155 W156W80-I100 HydrophobicContact CH2-CG2 4.31Å; N84-I100 HydrophobicContact CB-CG1 3.85Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.12Å; L96-I100 HydrophobicContact CD2-CD1 4.5Å; L96-I100 HydrophobicContact CG-CD1 3.86Å; L96-I100 HydrophobicContact CG-CG1 4.44Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.96Å; I100-S104 WeakPolarHBondContact O-CB 3.41Å; I100-S104 PolarHBondContact O-N 3.29Å; I100-S104 PolarHBondContact O-OG 2.92Å; I100-L149 HydrophobicContact CD1-CD2 4.1Å; I100-L149 HydrophobicContact CG2-CD2 4.08Å; I100-L155 HydrophobicContact CB-CD2 4.12Å; I100-L155 HydrophobicContact CG2-CD2 3.82Å; I100-W156 HydrophobicContact CG2-CZ2 4.46Å
101R97.8Very high95.8Very high64 Ų6440.1 Ų40.124%0.24220%0.203CC..Hα-helixtrans-68.4-40175.5-165.8-179.9-55.7-96.3-16112.8L97 N98 G99 K105 D152 D154 L155L97-R101 VanDerWaalsContact O-CB 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.29Å; L97-R101 PolarHBondContact O-N 2.99Å; N98-R101 PolarHBondContact O-N 3.08Å; G99-R101 PolarHBondContact O-N 3.48Å; R101-K105 VanDerWaalsContact O-CB 3.27Å; R101-K105 WeakPolarHBondContact O-CB 3.29Å; R101-K105 PolarHBondContact O-N 3.3Å; R101-D152 IonicContact CZ-OD1 3.4Å; R101-D152 IonicContact CZ-OD2 3.83Å; R101-D152 VanDerWaalsContact NH1-CG 3.31Å; R101-D152 IonicContact NH1-OD1 2.72Å; R101-D152 PolarHBondContact NH1-OD1 2.99Å; R101-D152 VanDerWaalsContact NH1-OD1 3.11Å; R101-D152 IonicContact NH1-OD2 3.35Å; R101-D152 PolarHBondContact NH1-OD2 3.5Å; R101-D152 IonicContact NH2-OD2 2.64Å; R101-D152 PolarHBondContact NH2-OD2 3.01Å; R101-D154 HydrophobicContact CG-CB 3.82Å; R101-D154 IonicContact NH1-OD2 3.9Å; R101-D154 PolarHBondContact NH1-OD2 3.13Å; R101-L155 HydrophobicContact CB-CD2 3.77Å; R101-L155 HydrophobicContact CG-CD2 4.39Å
102L97.1Very high95.9Very high50 Ų5040.8 Ų40.826%0.26221%0.21SC..Hα-helixtrans-66.5-43.8176.3-69.6171.6000111.3L37 F57 N98 G99 K105 A106L37-L102 HydrophobicContact CD1-CD1 4.02Å; L37-L102 HydrophobicContact CD2-CD1 3.9Å; F57-L102 HydrophobicContact CE2-CB 3.88Å; F57-L102 HydrophobicContact CE2-CD1 4.25Å; F57-L102 HydrophobicContact CZ-CB 4.22Å; F57-L102 HydrophobicContact CZ-CD1 4.29Å; F57-L102 HydrophobicContact CZ-CD2 4.34Å; N98-L102 WeakPolarHBondContact O-CG 3.48Å; N98-L102 PolarHBondContact O-N 3.47Å; G99-L102 PolarHBondContact O-N 3.24Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-A106 PolarHBondContact O-N 2.89Å
103I97.5Very high95.6Very high0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-64.1-47.9174.1-60.9-55.7000111.2I33 C35 A60 I64 W80 G99 K105 A106 L107I33-I103 HydrophobicContact CD1-CG2 3.85Å; I33-I103 HydrophobicContact CG2-CD1 4.08Å; C35-I103 HydrophobicContact CB-CD1 4.1Å; C35-I103 HydrophobicContact CB-CG1 4.37Å; A60-I103 HydrophobicContact CB-CD1 3.82Å; I64-I103 HydrophobicContact CD1-CD1 4.26Å; I64-I103 HydrophobicContact CD1-CG2 4.1Å; W80-I103 HydrophobicContact CH2-CG2 4.08Å; W80-I103 HydrophobicContact CZ2-CB 4.23Å; W80-I103 HydrophobicContact CZ2-CG2 3.46Å; W80-I103 VanDerWaalsContact CZ2-CG2 3.46Å; G99-I103 WeakPolarHBondContact O-CG1 3.45Å; G99-I103 PolarHBondContact O-N 3.5Å; I103-K105 PolarHBondContact O-N 3.1Å; I103-A106 PolarHBondContact O-N 3.23Å; I103-A106 VanDerWaalsContact O-N 3.13Å; I103-L107 HydrophobicContact CG2-CD1 3.98Å; I103-L107 HydrophobicContact CG2-CG 4.41Å; I103-L107 WeakPolarHBondContact O-CG 3.49Å; I103-L107 PolarHBondContact O-N 2.74Å
104S97.5Very high95.2Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-56.5-39.3176.2-61.60000112.1W80 I100 K108 D154W80-S104 WeakPolarHBondContact CH2-OG 3.47Å; I100-S104 WeakPolarHBondContact O-CB 3.41Å; I100-S104 PolarHBondContact O-N 3.29Å; I100-S104 PolarHBondContact O-OG 2.92Å; S104-K108 VanDerWaalsContact O-CG 3.26Å; S104-K108 WeakPolarHBondContact O-CG 3.24Å; S104-K108 PolarHBondContact O-N 2.95Å; S104-D154 VanDerWaalsContact CB-O 3.23Å; S104-D154 WeakPolarHBondContact CB-O 3.45Å
105K97Very high94.8Very high123 Ų12341 Ų4154%0.53520%0.202SC..Hα-helixtrans-67.3-44.9176.4-178-178.3176.5-175.20112.1R101 L102 I103 K108 Q109R101-K105 VanDerWaalsContact O-CB 3.27Å; R101-K105 WeakPolarHBondContact O-CB 3.29Å; R101-K105 PolarHBondContact O-N 3.3Å; L102-K105 PolarHBondContact O-N 3.21Å; I103-K105 PolarHBondContact O-N 3.1Å; K105-K108 PolarHBondContact O-N 2.94Å; K105-Q109 VanDerWaalsContact O-CG 3.31Å; K105-Q109 WeakPolarHBondContact O-CG 3.49Å; K105-Q109 PolarHBondContact O-N 3.2Å
106A96.4Very high94.6Very high1 Ų137 Ų371%0.00818%0.183CC..Hα-helixtrans-63.1-42.4177.600000111.9L61 I64 L102 I103 Q109 S110L61-A106 HydrophobicContact CD2-CB 3.44Å; L61-A106 VanDerWaalsContact CD2-CB 3.44Å; I64-A106 HydrophobicContact CD1-CB 3.91Å; I64-A106 HydrophobicContact CG2-CB 4.21Å; L102-A106 PolarHBondContact O-N 2.89Å; I103-A106 PolarHBondContact O-N 3.23Å; I103-A106 VanDerWaalsContact O-N 3.13Å; A106-Q109 PolarHBondContact O-N 3.23Å; A106-S110 PolarHBondContact O-N 3.27Å
107L97Very high94.5Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-58.8-47.8173.3-73.7170.7000111.4L30 I64 W80 I103 Q109 S110 F111 I118 W159L30-L107 HydrophobicContact CD1-CD2 3.85Å; I64-L107 HydrophobicContact CD1-CD2 4.33Å; I64-L107 HydrophobicContact CD1-CG 4.22Å; I64-L107 HydrophobicContact CG1-CD2 4.12Å; I64-L107 HydrophobicContact CG2-CD2 4.04Å; I64-L107 HydrophobicContact CG2-CG 4.48Å; W80-L107 HydrophobicContact CD2-CD1 3.52Å; W80-L107 HydrophobicContact CE3-CD1 3.37Å; W80-L107 HydrophobicContact CG-CD1 4.15Å; W80-L107 HydrophobicContact CH2-CD1 3.91Å; W80-L107 HydrophobicContact CZ2-CD1 4.06Å; W80-L107 HydrophobicContact CZ3-CD1 3.59Å; I103-L107 HydrophobicContact CG2-CD1 3.98Å; I103-L107 HydrophobicContact CG2-CG 4.41Å; I103-L107 WeakPolarHBondContact O-CG 3.49Å; I103-L107 PolarHBondContact O-N 2.74Å; L107-Q109 VanDerWaalsContact C-N 3.27Å; L107-Q109 PolarHBondContact O-N 3.44Å; L107-S110 PolarHBondContact O-N 3.23Å; L107-F111 WeakPolarHBondContact O-CA 3.44Å; L107-F111 WeakPolarHBondContact O-CB 3.39Å; L107-F111 PolarHBondContact O-N 2.74Å; L107-I118 HydrophobicContact CB-CD1 3.82Å; L107-I118 HydrophobicContact CD2-CD1 4.33Å; L107-I118 HydrophobicContact CG-CD1 4.48Å; L107-W159 HydrophobicContact CB-CH2 4.2Å; L107-W159 HydrophobicContact CB-CZ2 4.46Å
108K95.2Very high94.5Very high32 Ų3236.7 Ų36.714%0.13918%0.182CC..Hα-helixtrans-64.3-26.1176-71.2170.7-174.1165.90114.1S104 K105 F111 V113 K153 D154 L155 E158 W159S104-K108 VanDerWaalsContact O-CG 3.26Å; S104-K108 WeakPolarHBondContact O-CG 3.24Å; S104-K108 PolarHBondContact O-N 2.95Å; K105-K108 PolarHBondContact O-N 2.94Å; K108-F111 WeakPolarHBondContact CA-O 3.35Å; K108-F111 CarbonylContact O-C 3.59Å; K108-V113 HydrophobicContact CD-CG2 4.26Å; K108-V113 HydrophobicContact CG-CG2 3.89Å; K108-K153 PolarHBondContact NZ-O 3.21Å; K108-D154 PolarHBondContact NZ-O 3.03Å; K108-L155 PolarHBondContact NZ-O 3.03Å; K108-E158 IonicContact NZ-OE2 3.28Å; K108-E158 PolarHBondContact NZ-OE2 3.49Å; K108-W159 HydrophobicContact CD-CH2 4.24Å; K108-W159 HydrophobicContact CD-CZ2 4.2Å; K108-W159 HydrophobicContact CG-CH2 3.81Å; K108-W159 HydrophobicContact CG-CZ2 3.47Å; K108-W159 VanDerWaalsContact CG-CZ2 3.47Å
109Q94.9Very high94.5Very high134 Ų13432.8 Ų32.863%0.62616%0.16SC*.Hα-helixtrans-76.9-36.2175.2-74.8175.4-49.400112.3K105 A106 L107K105-Q109 VanDerWaalsContact O-CG 3.31Å; K105-Q109 WeakPolarHBondContact O-CG 3.49Å; K105-Q109 PolarHBondContact O-N 3.2Å; A106-Q109 PolarHBondContact O-N 3.23Å; L107-Q109 VanDerWaalsContact C-N 3.27Å; L107-Q109 PolarHBondContact O-N 3.44Å
110S94.7Very high94.6Very high9 Ų932.5 Ų32.56%0.06316%0.158CC..Hα-helixtrans-75.7-38.6172-74.20000112.3N65 R68 A106 L107N65-S110 PolarHBondContact OD1-OG 3.32Å; R68-S110 VanDerWaalsContact CD-O 3.32Å; R68-S110 WeakPolarHBondContact CD-O 3.49Å; R68-S110 WeakPolarHBondContact CG-O 3.04Å; R68-S110 PolarHBondContact NE-O 3.28Å; A106-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-N 3.23Å
111F94.4Very high94.6Very high0 Ų032.5 Ų32.50%016%0.158CC..SBendtrans-130.790.6-173-59-71.2000110.2W28 T67 R68 P75 V78 L107 K108 V113 V116 I118W28-F111 AromaticContact CD1-CZ 3.85Å; T67-F111 VanDerWaalsContact OG1-CE2 3.3Å; T67-F111 WeakPolarHBondContact OG1-CE2 3.42Å; T67-F111 WeakPolarHBondContact OG1-CZ 3.38Å; R68-F111 HydrophobicContact CG-CE1 4.27Å; R68-F111 HydrophobicContact CG-CZ 4.29Å; P75-F111 HydrophobicContact CG-CD1 4.22Å; P75-F111 HydrophobicContact CG-CE1 3.62Å; V78-F111 HydrophobicContact CG2-CD1 3.99Å; V78-F111 HydrophobicContact CG2-CD2 3.96Å; V78-F111 HydrophobicContact CG2-CE1 3.88Å; V78-F111 HydrophobicContact CG2-CE2 3.86Å; V78-F111 HydrophobicContact CG2-CG 4.02Å; V78-F111 HydrophobicContact CG2-CZ 3.81Å; L107-F111 WeakPolarHBondContact O-CA 3.44Å; L107-F111 WeakPolarHBondContact O-CB 3.39Å; L107-F111 PolarHBondContact O-N 2.74Å; K108-F111 WeakPolarHBondContact CA-O 3.35Å; K108-F111 CarbonylContact O-C 3.59Å; F111-V113 PolarHBondContact O-N 3.06Å; F111-V116 HydrophobicContact CB-CB 4.17Å; F111-V116 HydrophobicContact CB-CG1 4.4Å; F111-V116 HydrophobicContact CD1-CB 4.19Å; F111-V116 HydrophobicContact CD1-CG1 4Å; F111-V116 HydrophobicContact CD1-CG2 4.21Å; F111-V116 HydrophobicContact CG-CG1 4.46Å; F111-I118 HydrophobicContact CB-CD1 4.07Å; F111-I118 HydrophobicContact CD2-CD1 4.33Å
112P93Very high94.6Very high40 Ų4029.5 Ų29.526%0.2615%0.147SC..  trans-56.3134.5173.7-24.834.9000111D114 E115 V116P112-D114 WeakPolarHBondContact CB-OD1 3.48Å; P112-D114 PolarHBondContact O-N 3.25Å; P112-D114 VanDerWaalsContact O-N 3.15Å; P112-E115 HydrophobicContact CB-CB 4.33Å; P112-E115 HydrophobicContact CB-CG 4.34Å; P112-E115 PolarHBondContact O-N 3.25Å; P112-V116 PolarHBondContact O-N 2.76Å
113V87.3Confident94.6Very high16 Ų1627.1 Ų27.110%0.09713%0.134CC..THydrogen-bonded Turntrans-63.3-24.7-171.9-171.40000112.4K108 F111 E158K108-V113 HydrophobicContact CD-CG2 4.26Å; K108-V113 HydrophobicContact CG-CG2 3.89Å; F111-V113 PolarHBondContact O-N 3.06Å; V113-E158 HydrophobicContact CG1-CB 4.22Å; V113-E158 HydrophobicContact CG2-CB 4.42Å
114D85.2Confident94.6Very high127 Ų12727.4 Ų27.468%0.67914%0.136SC*.THydrogen-bonded Turntrans-85.6-11.617559-41.6000114.4P112P112-D114 WeakPolarHBondContact CB-OD1 3.48Å; P112-D114 PolarHBondContact O-N 3.25Å; P112-D114 VanDerWaalsContact O-N 3.15Å
115E87.6Confident94.5Very high85 Ų8528 Ų2840%0.39714%0.138SC..THydrogen-bonded Turntrans-99-44.1170.3-73-164.6-161.700113.2P112P112-E115 HydrophobicContact CB-CB 4.33Å; P112-E115 HydrophobicContact CB-CG 4.34Å; P112-E115 PolarHBondContact O-N 3.25Å
116V91.6Very high94.6Very high1 Ų122.1 Ų22.11%0.00611%0.113CC..  trans-138.7127-168.8-1790000110.4T74 P75 V78 F111 P112T74-V116 HydrophobicContact CG2-CG2 3.45Å; T74-V116 VanDerWaalsContact CG2-CG2 3.45Å; P75-V116 HydrophobicContact CG-CG1 4.26Å; V78-V116 HydrophobicContact CG2-CG1 4Å; F111-V116 HydrophobicContact CB-CB 4.17Å; F111-V116 HydrophobicContact CB-CG1 4.4Å; F111-V116 HydrophobicContact CD1-CB 4.19Å; F111-V116 HydrophobicContact CD1-CG1 4Å; F111-V116 HydrophobicContact CD1-CG2 4.21Å; F111-V116 HydrophobicContact CG-CG1 4.46Å; P112-V116 PolarHBondContact O-N 2.76Å
117Y93.9Very high94.5Very high1 Ų122.5 Ų22.50%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-78138.4174.8-170.8-104.8000111.5F77 V78 L119 W159 H162 F197 H199 L216F77-Y117 CarbonylContact C-O 3.59Å; F77-Y117 VanDerWaalsContact CA-O 3.28Å; F77-Y117 WeakPolarHBondContact CA-O 3.28Å; F77-Y117 WeakPolarHBondContact CB-O 3.03Å; V78-Y117 PolarHBondContact N-O 3.49Å; Y117-L119 HydrophobicContact CE1-CB 4.23Å; Y117-L119 HydrophobicContact CE1-CD1 4.19Å; Y117-W159 HydrophobicContact CE2-CB 4.13Å; Y117-W159 WeakPolarHBondContact CE2-O 3.13Å; Y117-W159 PolarHBondContact OH-O 2.89Å; Y117-H162 HydrophobicContact CD2-CB 4.27Å; Y117-H162 AromaticContact CD2-ND1 3.99Å; Y117-H162 HydrophobicContact CE2-CB 3.78Å; Y117-F197 WeakPolarHBondContact OH-CE2 3.47Å; Y117-H199 AromaticContact CD1-CD2 3.95Å; Y117-H199 AromaticContact CD2-CE1 3.98Å; Y117-H199 HydrophobicContact CE1-CB 3.72Å; Y117-H199 AromaticContact CE1-CD2 3.87Å; Y117-H199 AromaticContact CE1-CG 3.6Å; Y117-H199 AromaticContact CE2-CE1 3.7Å; Y117-H199 AromaticContact CE2-ND1 3.63Å; Y117-H199 AromaticContact CZ-CG 3.52Å; Y117-H199 AromaticContact CZ-ND1 3.49Å; Y117-L216 HydrophobicContact CD1-CD1 3.9Å; Y117-L216 HydrophobicContact CE1-CD1 4.12Å
118I96.1Very high94.4Very high0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-114.8130.9169.8-47.1-167.3000108.7V78 W80 L107 F111 P120 W159V78-I118 HydrophobicContact CB-CB 4.47Å; V78-I118 HydrophobicContact CB-CG1 4.13Å; V78-I118 HydrophobicContact CB-CG2 4.18Å; V78-I118 HydrophobicContact CG1-CG2 4.31Å; V78-I118 CarbonylContact O-C 3.34Å; V78-I118 WeakPolarHBondContact O-CA 3.17Å; W80-I118 HydrophobicContact CB-CG2 4.12Å; L107-I118 HydrophobicContact CB-CD1 3.82Å; L107-I118 HydrophobicContact CD2-CD1 4.33Å; L107-I118 HydrophobicContact CG-CD1 4.48Å; F111-I118 HydrophobicContact CB-CD1 4.07Å; F111-I118 HydrophobicContact CD2-CD1 4.33Å; I118-P120 WeakPolarHBondContact O-CD 3.15Å; I118-W159 HydrophobicContact CB-CD2 4.19Å; I118-W159 HydrophobicContact CB-CG 4.39Å; I118-W159 HydrophobicContact CB-CZ2 4.17Å; I118-W159 HydrophobicContact CD1-CH2 4.34Å; I118-W159 HydrophobicContact CD1-CZ2 3.58Å; I118-W159 HydrophobicContact CG1-CZ2 4.03Å
119L96.8Very high94.3Very high0 Ų026.4 Ų26.40%014%0.143CC..EExtended strand (participates in β ladder)trans-96.199.1169.1-171.883.9000109.4V78 I79 W80 Y117 V121 F197 L216 V262V78-L119 PolarHBondContact O-N 3.12Å; I79-L119 HydrophobicContact CD1-CB 3.87Å; I79-L119 HydrophobicContact CD1-CD2 3.94Å; W80-L119 PolarHBondContact N-O 3.35Å; Y117-L119 HydrophobicContact CE1-CB 4.23Å; Y117-L119 HydrophobicContact CE1-CD1 4.19Å; L119-V121 HydrophobicContact CD2-CG2 4.4Å; L119-F197 HydrophobicContact CD1-CE1 4.4Å; L119-F197 HydrophobicContact CD1-CE2 3.88Å; L119-F197 HydrophobicContact CD1-CZ 3.6Å; L119-F197 HydrophobicContact CG-CZ 4.42Å; L119-L216 HydrophobicContact CB-CD1 4.16Å; L119-L216 HydrophobicContact CD1-CB 3.9Å; L119-L216 HydrophobicContact CD1-CD1 4.43Å; L119-L216 HydrophobicContact CD2-CB 4.13Å; L119-V262 HydrophobicContact CD2-CB 4.1Å; L119-V262 HydrophobicContact CD2-CG2 3.68Å
120P97.7Very high94.3Very high0 Ų020.7 Ų20.70%012%0.118CC..EExtended strand (participates in β ladder)trans-70.9145.7165.330.3-35000110.7W80 I118 W156 W159 I160 F197 S218W80-P120 HydrophobicContact CE3-CB 3.81Å; W80-P120 HydrophobicContact CZ3-CB 4.21Å; W80-P120 CarbonylContact O-C 3.52Å; W80-P120 WeakPolarHBondContact O-CA 3.33Å; I118-P120 WeakPolarHBondContact O-CD 3.15Å; P120-W156 HydrophobicContact CB-CD2 3.71Å; P120-W156 HydrophobicContact CB-CE3 3.9Å; P120-W156 HydrophobicContact CB-CG 4.1Å; P120-W156 HydrophobicContact CB-CH2 4.35Å; P120-W156 HydrophobicContact CB-CZ2 4.2Å; P120-W156 HydrophobicContact CB-CZ3 4.21Å; P120-W156 HydrophobicContact CG-CB 4.23Å; P120-W156 HydrophobicContact CG-CD2 4Å; P120-W156 HydrophobicContact CG-CE3 4.06Å; P120-W156 HydrophobicContact CG-CG 4.08Å; P120-W159 HydrophobicContact CG-CE3 4.47Å; P120-I160 HydrophobicContact CG-CD1 4.36Å; P120-F197 HydrophobicContact CG-CE1 4.5Å; P120-F197 HydrophobicContact CG-CZ 4.32Å; P120-F197 WeakPolarHBondContact O-CE1 3.13Å; P120-S218 PolarHBondContact O-OG 3.43Å
121V98.3Very high94.3Very high0 Ų021.2 Ų21.20%012%0.121CC..  trans-129.3156.3167.4-165.80000108.2W80 G82 L119 L219 V262W80-V121 PolarHBondContact O-N 3.16Å; G82-V121 WeakPolarHBondContact CA-O 3.41Å; G82-V121 PolarHBondContact N-O 3.41Å; L119-V121 HydrophobicContact CD2-CG2 4.4Å; V121-L219 WeakPolarHBondContact CG1-O 3.39Å; V121-V262 HydrophobicContact CG2-CB 3.99Å; V121-V262 HydrophobicContact CG2-CG1 3.71Å
122L97.5Very high94.2Very high1 Ų123.4 Ų23.41%0.00513%0.132CC..  trans-95.4128.3179.5-166.286.8000110.8D126 V127 M133 L149 W156 C195 L222L122-D126 HydrophobicContact CD1-CB 3.44Å; L122-D126 VanDerWaalsContact CD1-CB 3.44Å; L122-D126 HydrophobicContact CG-CB 3.93Å; L122-V127 HydrophobicContact CD2-CG1 4.48Å; L122-M133 HydrophobicContact CD2-CE 3.4Å; L122-M133 HydrophobicContact CD2-SD 4.37Å; L122-L149 HydrophobicContact CD1-CD1 4.04Å; L122-W156 HydrophobicContact CB-CH2 4.41Å; L122-W156 HydrophobicContact CD1-CH2 3.89Å; L122-W156 HydrophobicContact CD1-CZ3 4.28Å; L122-C195 HydrophobicContact CD2-CB 4.47Å; L122-L222 HydrophobicContact CD2-CD2 4.07Å
123G97.8Very high94.3Very high0 Ų021.7 Ų21.70%012%0.121CC..  trans-101.8-173.3165.800000113.3D83 D126 H264D83-G123 WeakPolarHBondContact OD1-CA 3.48Å; G123-D126 PolarHBondContact N-OD2 3.06Å; G123-D126 PolarHBondContact O-N 3.17Å; G123-H264 VanDerWaalsContact CA-CG 3.47Å
124N96.3Very high94.6Very high6 Ų624.4 Ų24.43%0.03213%0.132CC..G310 helixtrans-74.7-26.9-179.441-61.2000114.9D83 D126 V127 N131 L222 Y225 H264 F265 H306D83-N124 PolarHBondContact OD1-N 3.31Å; N124-D126 VanDerWaalsContact C-N 3.27Å; N124-V127 VanDerWaalsContact O-CG2 3.26Å; N124-V127 WeakPolarHBondContact O-CG2 3.32Å; N124-N131 HydrophobicContact CB-CB 4.48Å; N124-N131 WeakPolarHBondContact CB-OD1 3.13Å; N124-N131 PolarHBondContact ND2-OD1 3.17Å; N124-N131 VanDerWaalsContact ND2-OD1 3.16Å; N124-N131 PolarHBondContact O-N 3.15Å; N124-L222 HydrophobicContact CB-CD1 3.71Å; N124-Y225 HydrophobicContact CB-CE1 4.5Å; N124-H264 PolarHBondContact OD1-CD2 3.1Å; N124-H264 PolarHBondContact OD1-NE2 3.21Å; N124-F265 HydrophobicContact CB-CE1 4.34Å; N124-F265 HydrophobicContact CB-CZ 3.83Å; N124-F265 VanDerWaalsContact OD1-CE1 3.23Å; N124-F265 WeakPolarHBondContact OD1-CE1 3.41Å; N124-F265 VanDerWaalsContact OD1-CZ 3.23Å; N124-F265 WeakPolarHBondContact OD1-CZ 3.34Å; N124-H306 PolarHBondContact OD1-CE1 2.8Å; N124-H306 VanDerWaalsContact OD1-CE1 3.28Å; N124-H306 PolarHBondContact OD1-ND1 3.31Å; N124-H306 VanDerWaalsContact OD1-ND1 3.1Å
125H96.8Very high95Very high11 Ų1119 Ų195%0.05110%0.103CC..G310 helixtrans-86.33.1173.8-70.5-109.2000112.9D83 G85 P86 H87 L96 V127D83-H125 HydrophobicContact CB-CB 4.43Å; D83-H125 PolarHBondContact OD1-N 3.27Å; D83-H125 IonicContact OD2-CD2 3.71Å; D83-H125 PolarHBondContact OD2-CD2 3.35Å; D83-H125 IonicContact OD2-CG 2.67Å; D83-H125 PolarHBondContact OD2-N 2.94Å; G85-H125 WeakPolarHBondContact O-CB 3.22Å; P86-H125 PolarHBondContact O-ND1 2.76Å; H87-H125 AromaticContact CD2-CE1 3.43Å; H87-H125 PolarHBondContact CD2-CE1 2.99Å; H87-H125 VanDerWaalsContact CD2-CE1 3.43Å; H87-H125 AromaticContact CD2-NE2 3.76Å; H87-H125 AromaticContact CG-CE1 3.88Å; H87-H125 AromaticContact NE2-CE1 3.96Å; H87-H125 AromaticContact NE2-NE2 3.95Å; L96-H125 WeakPolarHBondContact CD1-O 3.28Å; L96-H125 WeakPolarHBondContact CD2-O 3.08Å; H125-V127 VanDerWaalsContact C-N 3.29Å
126D97.3Very high95.1Very high0 Ų018.2 Ų18.20%010%0.104CC..G310 helixtrans-9120.3170.4-62-41000113.2G82 D83 N84 L122 G123 N124 W145G82-D126 WeakPolarHBondContact CA-OD2 3.07Å; D83-D126 PolarHBondContact N-OD2 2.03Å; N84-D126 WeakPolarHBondContact CB-OD1 3.35Å; N84-D126 PolarHBondContact N-OD1 3.44Å; N84-D126 PolarHBondContact ND2-OD1 3.09Å; L122-D126 HydrophobicContact CD1-CB 3.44Å; L122-D126 VanDerWaalsContact CD1-CB 3.44Å; L122-D126 HydrophobicContact CG-CB 3.93Å; G123-D126 PolarHBondContact N-OD2 3.06Å; G123-D126 PolarHBondContact O-N 3.17Å; N124-D126 VanDerWaalsContact C-N 3.27Å; D126-W145 VanDerWaalsContact O-CE2 3.29Å; D126-W145 VanDerWaalsContact O-CZ2 3.23Å; D126-W145 WeakPolarHBondContact O-CZ2 3.47Å; D126-W145 PolarHBondContact O-NE1 3.41Å
127V95.8Very high95Very high9 Ų922.1 Ų22.16%0.05513%0.13CC..SBendtrans-135.3162.4168.8-71.70000111.3L122 N124 H125 P129 M133 L222L122-V127 HydrophobicContact CD2-CG1 4.48Å; N124-V127 VanDerWaalsContact O-CG2 3.26Å; N124-V127 WeakPolarHBondContact O-CG2 3.32Å; H125-V127 VanDerWaalsContact C-N 3.29Å; V127-P129 CarbonylContact C-O 3.59Å; V127-P129 WeakPolarHBondContact CG2-O 3.4Å; V127-P129 CarbonylContact O-C 3.58Å; V127-M133 HydrophobicContact CG1-CE 3.77Å; V127-L222 HydrophobicContact CG1-CD2 3.99Å; V127-L222 HydrophobicContact CG2-CD2 3.8Å
128V94Very high94.9Very high43 Ų4329.7 Ų29.726%0.26117%0.166SC..SBendtrans-131.7123.6171.8168.30000109.9L91 L96L91-V128 VanDerWaalsContact O-CG1 3.23Å; L91-V128 WeakPolarHBondContact O-CG1 3.42Å; L96-V128 HydrophobicContact CB-CG2 4.05Å; L96-V128 HydrophobicContact CD2-CG2 3.76Å
129P94Very high94.8Very high71 Ų7130 Ų3046%0.46117%0.168SC..SBendcis-58.6159.1-7.7-21.133.5000112.5V127 N132V127-P129 CarbonylContact C-O 3.59Å; V127-P129 WeakPolarHBondContact CG2-O 3.4Å; V127-P129 CarbonylContact O-C 3.58Å; P129-N132 HydrophobicContact CB-CB 4.49Å; P129-N132 PolarHBondContact O-N 2.9Å
130A93.7Very high94.7Very high14 Ų1437.4 Ų37.412%0.11620%0.196CC..THydrogen-bonded Turntrans-56.5155.1174.900000110.8N132A130-N132 PolarHBondContact O-N 2.92Å
131N94.3Very high94.6Very high21 Ų2140.4 Ų40.411%0.11222%0.216CC..THydrogen-bonded Turntrans64.4-28-174.6-46-55.4000115.8N124 M133 L222 Y225 G227 N228N124-N131 HydrophobicContact CB-CB 4.48Å; N124-N131 WeakPolarHBondContact CB-OD1 3.13Å; N124-N131 PolarHBondContact ND2-OD1 3.17Å; N124-N131 VanDerWaalsContact ND2-OD1 3.16Å; N124-N131 PolarHBondContact O-N 3.15Å; N131-M133 PolarHBondContact O-N 3Å; N131-L222 WeakPolarHBondContact O-CD1 3.28Å; N131-Y225 HydrophobicContact CB-CE1 4.28Å; N131-Y225 WeakPolarHBondContact OD1-CE1 3.15Å; N131-G227 VanDerWaalsContact CB-O 3.32Å; N131-G227 WeakPolarHBondContact CB-O 3.5Å; N131-N228 WeakPolarHBondContact O-CB 3.42Å; N131-N228 PolarHBondContact O-OD1 2.96Å
132N93.8Very high94.4Very high45 Ų4540.7 Ų40.724%0.24122%0.218CC..  trans-89.797.7-159.9-71.1-21.1000113.7P129 A130 I229 L230P129-N132 HydrophobicContact CB-CB 4.49Å; P129-N132 PolarHBondContact O-N 2.9Å; A130-N132 PolarHBondContact O-N 2.92Å; N132-I229 WeakPolarHBondContact OD1-CG1 3.22Å; N132-L230 HydrophobicContact CB-CD1 4.1Å
133M95Very high94.4Very high5 Ų543.2 Ų43.23%0.02523%0.229CC..  trans-123.2116.5171.7177.7171.2-70.800111.6L122 V127 N131 I135 R142 C195 N220 L222 I223 N228L122-M133 HydrophobicContact CD2-CE 3.4Å; L122-M133 HydrophobicContact CD2-SD 4.37Å; V127-M133 HydrophobicContact CG1-CE 3.77Å; N131-M133 PolarHBondContact O-N 3Å; M133-I135 PolarHBondContact O-N 3.28Å; M133-R142 HydrophobicContact CE-CG 3.99Å; M133-R142 HydrophobicContact CG-CB 4.38Å; M133-R142 HydrophobicContact CG-CG 3.88Å; M133-R142 WeakPolarHBondContact SD-CD 3.38Å; M133-R142 HydrophobicContact SD-CG 3.7Å; M133-C195 HydrophobicContact CE-CB 4.48Å; M133-N220 PolarHBondContact SD-ND2 3.3Å; M133-N220 VanDerWaalsContact SD-ND2 3.38Å; M133-L222 HydrophobicContact CB-CD2 3.71Å; M133-L222 HydrophobicContact CB-CG 4.09Å; M133-L222 HydrophobicContact CE-CD2 4.23Å; M133-L222 HydrophobicContact SD-CD2 4.48Å; M133-I223 HydrophobicContact CG-CG2 4.32Å; M133-I223 HydrophobicContact SD-CG2 3.94Å; M133-N228 PolarHBondContact N-OD1 3.07Å; M133-N228 VanDerWaalsContact N-OD1 3.14Å; M133-N228 PolarHBondContact O-ND2 2.79Å; M133-N228 PolarHBondContact O-OD1 3.2Å
134E93.5Very high94.3Very high72 Ų7246.5 Ų46.534%0.33625%0.246SC..  trans-52.9129.9169.3-73.5176.4-138.100111.3S139 S141 R142 L230E134-S139 WeakPolarHBondContact CB-OG 3.47Å; E134-S139 VanDerWaalsContact CD-OG 3.24Å; E134-S139 WeakPolarHBondContact OE2-CA 3.5Å; E134-S139 WeakPolarHBondContact OE2-CB 3.47Å; E134-S139 PolarHBondContact OE2-OG 3.23Å; E134-S141 PolarHBondContact OE1-OG 2.94Å; E134-S141 PolarHBondContact OE2-OG 3.49Å; E134-R142 PolarHBondContact O-NH1 3.46Å; E134-L230 HydrophobicContact CG-CD1 4.01Å
135I92.9Very high94.4Very high13 Ų1347.7 Ų47.77%0.06725%0.25CC..  trans-94.1-2.7-177.770.2164.9000114.9M133 I223 A231 G232 P238 L239M133-I135 PolarHBondContact O-N 3.28Å; I135-I223 HydrophobicContact CB-CB 4.43Å; I135-I223 HydrophobicContact CG2-CB 3.69Å; I135-I223 HydrophobicContact CG2-CG2 3.96Å; I135-A231 HydrophobicContact CG2-CB 4.08Å; I135-G232 WeakPolarHBondContact CD1-O 3.14Å; I135-P238 HydrophobicContact CB-CB 4.34Å; I135-P238 HydrophobicContact CD1-CB 4.2Å; I135-P238 HydrophobicContact CD1-CG 4.23Å; I135-L239 WeakPolarHBondContact O-CD2 3.45Å; I135-L239 WeakPolarHBondContact O-CG 3.43Å
136T90.8Very high94.4Very high69 Ų6947.1 Ų47.142%0.42325%0.248SC..SBendtrans-79.1141.6-173.1670000112.5Q138 S139 R142T136-Q138 PolarHBondContact O-N 3.3Å; T136-S139 WeakPolarHBondContact O-CB 3.42Å; T136-S139 PolarHBondContact O-N 3.11Å; T136-S139 VanDerWaalsContact O-N 3.08Å; T136-S139 PolarHBondContact OG1-N 2.04Å; T136-R142 VanDerWaalsContact O-CZ 3.3Å; T136-R142 PolarHBondContact O-NH1 3.26Å; T136-R142 PolarHBondContact O-NH2 3.43Å
137P88.8Confident94.3Very high84 Ų8450.9 Ų50.955%0.54527%0.265SS..THydrogen-bonded Turntrans-58.5-23.1178.2-27.435.6000114.9L239P137-L239 HydrophobicContact CG-CD2 4.25Å
138Q90.9Very high94.3Very high160 Ų16054.4 Ų54.475%0.74828%0.279SS*.THydrogen-bonded Turntrans-91.3-3.5-179.2-60.875.815.800114T136 R140T136-Q138 PolarHBondContact O-N 3.3Å; Q138-R140 PolarHBondContact O-N 3.1Å
139S94.5Very high94.4Very high6 Ų652.4 Ų52.44%0.04227%0.267CS..  trans-52124.5179.6179.30000112.3E134 T136 S141 R142 F143E134-S139 WeakPolarHBondContact CB-OG 3.47Å; E134-S139 VanDerWaalsContact CD-OG 3.24Å; E134-S139 WeakPolarHBondContact OE2-CA 3.5Å; E134-S139 WeakPolarHBondContact OE2-CB 3.47Å; E134-S139 PolarHBondContact OE2-OG 3.23Å; T136-S139 WeakPolarHBondContact O-CB 3.42Å; T136-S139 PolarHBondContact O-N 3.11Å; T136-S139 VanDerWaalsContact O-N 3.08Å; T136-S139 PolarHBondContact OG1-N 2.04Å; S139-S141 PolarHBondContact OG-OG 3.32Å; S139-S141 VanDerWaalsContact OG-OG 3.09Å; S139-R142 WeakPolarHBondContact OG-CB 3.44Å; S139-R142 PolarHBondContact OG-N 3.16Å; S139-F143 WeakPolarHBondContact O-CB 3.21Å
140R95.3Very high94.5Very high156 Ų15649 Ų4959%0.58925%0.246SC*.Hα-helixtrans-85.8-35.4175.5-172.665.5-162.9-177.55.8112.2Q138 F143 D144Q138-R140 PolarHBondContact O-N 3.1Å; R140-F143 PolarHBondContact O-N 2.88Å; R140-D144 IonicContact CZ-OD1 3.16Å; R140-D144 IonicContact CZ-OD2 3.33Å; R140-D144 VanDerWaalsContact NE-CG 3.34Å; R140-D144 IonicContact NE-OD1 2.69Å; R140-D144 PolarHBondContact NE-OD1 3.46Å; R140-D144 IonicContact NE-OD2 3.46Å; R140-D144 PolarHBondContact NE-OD2 3.35Å; R140-D144 VanDerWaalsContact NH2-CG 3.31Å; R140-D144 IonicContact NH2-OD1 2.62Å; R140-D144 PolarHBondContact NH2-OD1 2.98Å; R140-D144 IonicContact NH2-OD2 3.18Å; R140-D144 PolarHBondContact NH2-OD2 3.37Å; R140-D144 PolarHBondContact O-N 2.77Å
141S94.4Very high94.5Very high62 Ų6251.8 Ų51.843%0.43426%0.258SS..Hα-helixtrans-62.2-53.6179.256.50000111.4E134 S139 F143 D144 W145E134-S141 PolarHBondContact OE1-OG 2.94Å; E134-S141 PolarHBondContact OE2-OG 3.49Å; S139-S141 PolarHBondContact OG-OG 3.32Å; S139-S141 VanDerWaalsContact OG-OG 3.09Å; S141-F143 VanDerWaalsContact C-N 3.32Å; S141-F143 PolarHBondContact O-N 3.41Å; S141-D144 PolarHBondContact O-N 3.01Å; S141-W145 WeakPolarHBondContact O-CB 3.4Å; S141-W145 PolarHBondContact O-N 3.22Å
142R95.8Very high94.5Very high7 Ų752.7 Ų52.73%0.02626%0.263CS..Hα-helixtrans-60-42.5174.9-172.8-171.668.9-102.1-7.3111.4M133 E134 T136 S139 W145 C146 Q193 C195M133-R142 HydrophobicContact CE-CG 3.99Å; M133-R142 HydrophobicContact CG-CB 4.38Å; M133-R142 HydrophobicContact CG-CG 3.88Å; M133-R142 WeakPolarHBondContact SD-CD 3.38Å; M133-R142 HydrophobicContact SD-CG 3.7Å; E134-R142 PolarHBondContact O-NH1 3.46Å; T136-R142 VanDerWaalsContact O-CZ 3.3Å; T136-R142 PolarHBondContact O-NH1 3.26Å; T136-R142 PolarHBondContact O-NH2 3.43Å; S139-R142 WeakPolarHBondContact OG-CB 3.44Å; S139-R142 PolarHBondContact OG-N 3.16Å; R142-W145 PolarHBondContact O-N 3.48Å; R142-C146 WeakPolarHBondContact O-CB 3.19Å; R142-C146 PolarHBondContact O-N 3Å; R142-Q193 VanDerWaalsContact CZ-O 3.32Å; R142-Q193 PolarHBondContact NE-O 3.49Å; R142-Q193 PolarHBondContact NH2-O 3.24Å; R142-C195 WeakPolarHBondContact CG-SG 3.42Å
143F96.8Very high94.5Very high54 Ų5456.8 Ų56.824%0.23728%0.279CS..Hα-helixtrans-59-53178178.2-87000111.3S139 R140 S141 W145 H147 S192 Q193S139-F143 WeakPolarHBondContact O-CB 3.21Å; R140-F143 PolarHBondContact O-N 2.88Å; S141-F143 VanDerWaalsContact C-N 3.32Å; S141-F143 PolarHBondContact O-N 3.41Å; F143-W145 VanDerWaalsContact C-N 3.33Å; F143-W145 PolarHBondContact O-N 3.41Å; F143-H147 HydrophobicContact CD1-CB 4.46Å; F143-H147 HydrophobicContact CE1-CB 4.18Å; F143-H147 HydrophobicContact CZ-CB 4.45Å; F143-H147 WeakPolarHBondContact O-CA 3.32Å; F143-H147 WeakPolarHBondContact O-CB 3.43Å; F143-H147 PolarHBondContact O-N 3.34Å; F143-S192 WeakPolarHBondContact CA-O 3.37Å; F143-S192 WeakPolarHBondContact CD2-O 3.29Å; F143-Q193 HydrophobicContact CD2-CG 3.96Å; F143-Q193 HydrophobicContact CE2-CG 4.02Å
144D96.6Very high94.5Very high68 Ų6859.4 Ų59.436%0.36429%0.293SS..Hα-helixtrans-66.4-34.6-177.6-77.3-30.8000112.3R140 S141 K148R140-D144 IonicContact CZ-OD1 3.16Å; R140-D144 IonicContact CZ-OD2 3.33Å; R140-D144 VanDerWaalsContact NE-CG 3.34Å; R140-D144 IonicContact NE-OD1 2.69Å; R140-D144 PolarHBondContact NE-OD1 3.46Å; R140-D144 IonicContact NE-OD2 3.46Å; R140-D144 PolarHBondContact NE-OD2 3.35Å; R140-D144 VanDerWaalsContact NH2-CG 3.31Å; R140-D144 IonicContact NH2-OD1 2.62Å; R140-D144 PolarHBondContact NH2-OD1 2.98Å; R140-D144 IonicContact NH2-OD2 3.18Å; R140-D144 PolarHBondContact NH2-OD2 3.37Å; R140-D144 PolarHBondContact O-N 2.77Å; S141-D144 PolarHBondContact O-N 3.01Å; D144-K148 VanDerWaalsContact O-CB 3.24Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 PolarHBondContact O-N 3.1Å
145W96.6Very high94.6Very high31 Ų3156 Ų5612%0.11728%0.277CS..Hα-helixtrans-62.7-57.6174-172.1-113.2000112.4S93 L96 L97 D126 S141 R142 F143 H147 K148 L149S93-W145 WeakPolarHBondContact O-CH2 3.46Å; L96-W145 HydrophobicContact CB-CH2 4.38Å; L96-W145 HydrophobicContact CD2-CH2 3.81Å; L96-W145 HydrophobicContact CD2-CZ2 3.65Å; L96-W145 HydrophobicContact CG-CH2 4.16Å; L96-W145 HydrophobicContact CG-CZ2 4.25Å; L97-W145 HydrophobicContact CD1-CE3 4.13Å; L97-W145 HydrophobicContact CD1-CH2 3.95Å; L97-W145 HydrophobicContact CD1-CZ3 3.42Å; L97-W145 VanDerWaalsContact CD1-CZ3 3.42Å; L97-W145 HydrophobicContact CD2-CE3 4.48Å; L97-W145 HydrophobicContact CD2-CH2 3.75Å; L97-W145 HydrophobicContact CD2-CZ2 4.13Å; L97-W145 HydrophobicContact CD2-CZ3 3.92Å; L97-W145 HydrophobicContact CG-CE3 4.44Å; L97-W145 HydrophobicContact CG-CH2 3.47Å; L97-W145 VanDerWaalsContact CG-CH2 3.47Å; L97-W145 HydrophobicContact CG-CZ2 4.33Å; L97-W145 HydrophobicContact CG-CZ3 3.52Å; D126-W145 VanDerWaalsContact O-CE2 3.29Å; D126-W145 VanDerWaalsContact O-CZ2 3.23Å; D126-W145 WeakPolarHBondContact O-CZ2 3.47Å; D126-W145 PolarHBondContact O-NE1 3.41Å; S141-W145 WeakPolarHBondContact O-CB 3.4Å; S141-W145 PolarHBondContact O-N 3.22Å; R142-W145 PolarHBondContact O-N 3.48Å; F143-W145 VanDerWaalsContact C-N 3.33Å; F143-W145 PolarHBondContact O-N 3.41Å; W145-H147 VanDerWaalsContact C-N 3.3Å; W145-H147 PolarHBondContact O-N 2.94Å; W145-K148 PolarHBondContact O-N 3.45Å; W145-K148 VanDerWaalsContact O-N 3.14Å; W145-L149 HydrophobicContact CG-CD1 4.49Å; W145-L149 PolarHBondContact O-N 3.02Å
146C96.7Very high94.8Very high0 Ų055.3 Ų55.30%027%0.274CS..Hα-helixtrans-74.8-21.2-176.7-59.50000112.4R142 G150 F191 C195R142-C146 WeakPolarHBondContact O-CB 3.19Å; R142-C146 PolarHBondContact O-N 3Å; C146-G150 PolarHBondContact O-N 3.32Å; C146-F191 HydrophobicContact CB-CD1 4.4Å; C146-F191 HydrophobicContact CB-CE1 4.05Å; C146-F191 WeakPolarHBondContact CB-O 3.41Å; C146-F191 WeakPolarHBondContact O-CD1 3.45Å; C146-F191 VanDerWaalsContact O-CE1 3.27Å; C146-F191 WeakPolarHBondContact O-CE1 3.33Å; C146-C195 HydrophobicContact CB-CB 3.93Å; C146-C195 WeakPolarHBondContact CB-SG 3.46Å; C146-C195 WeakPolarHBondContact SG-CB 3.3Å; C146-C195 CovalentContact SG-SG 2.03Å; C146-C195 PolarHBondContact SG-SG 3.05Å
147H96.2Very high94.9Very high78 Ų7852.2 Ų52.236%0.36126%0.255SS..Hα-helixtrans-68.2-44.7165.6-170.169.5000111.9F143 W145 G150 N151 S192F143-H147 HydrophobicContact CD1-CB 4.46Å; F143-H147 HydrophobicContact CE1-CB 4.18Å; F143-H147 HydrophobicContact CZ-CB 4.45Å; F143-H147 WeakPolarHBondContact O-CA 3.32Å; F143-H147 WeakPolarHBondContact O-CB 3.43Å; F143-H147 PolarHBondContact O-N 3.34Å; W145-H147 VanDerWaalsContact C-N 3.3Å; W145-H147 PolarHBondContact O-N 2.94Å; H147-G150 PolarHBondContact O-N 3.46Å; H147-N151 PolarHBondContact CE1-ND2 3.23Å; H147-N151 PolarHBondContact ND1-ND2 3.32Å; H147-N151 WeakPolarHBondContact O-CB 3.27Å; H147-N151 PolarHBondContact O-N 3.19Å; H147-N151 VanDerWaalsContact O-N 3.08Å; H147-N151 PolarHBondContact O-ND2 3.38Å; H147-S192 PolarHBondContact ND1-OG 3.49Å; H147-S192 VanDerWaalsContact ND1-OG 3.14Å
148K96.2Very high95Very high84 Ų8451.5 Ų51.537%0.36525%0.245SC..Hα-helixtrans-63.9-49.3177.2-167171.5179-166.80111.2D94 L97 D144 W145 D152D94-K148 IonicContact OD1-NZ 3.38Å; D94-K148 PolarHBondContact OD1-NZ 3.49Å; L97-K148 HydrophobicContact CD1-CD 3.57Å; L97-K148 VanDerWaalsContact CD1-CE 3.41Å; L97-K148 HydrophobicContact CD1-CG 4.31Å; D144-K148 VanDerWaalsContact O-CB 3.24Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 PolarHBondContact O-N 3.1Å; W145-K148 PolarHBondContact O-N 3.45Å; W145-K148 VanDerWaalsContact O-N 3.14Å; K148-D152 WeakPolarHBondContact O-CB 3.17Å; K148-D152 PolarHBondContact O-N 3.24Å
149L96.5Very high95.1Very high0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-57.6-49.3173.8-74.2171.7000112.4L97 I100 L122 W145 L155 W156 G157 F191L97-L149 HydrophobicContact CD2-CD2 3.65Å; L97-L149 HydrophobicContact CD2-CG 4.16Å; I100-L149 HydrophobicContact CD1-CD2 4.1Å; I100-L149 HydrophobicContact CG2-CD2 4.08Å; L122-L149 HydrophobicContact CD1-CD1 4.04Å; W145-L149 HydrophobicContact CG-CD1 4.49Å; W145-L149 PolarHBondContact O-N 3.02Å; L149-L155 HydrophobicContact CD2-CD1 4.41Å; L149-W156 HydrophobicContact CB-CE3 4.34Å; L149-W156 HydrophobicContact CD1-CH2 4.47Å; L149-W156 HydrophobicContact CD1-CZ3 4.32Å; L149-W156 HydrophobicContact CD2-CD2 4.45Å; L149-W156 WeakPolarHBondContact O-CB 3.46Å; L149-W156 PolarHBondContact O-N 3.31Å; L149-W156 VanDerWaalsContact O-N 3.08Å; L149-G157 PolarHBondContact O-N 3.35Å; L149-F191 HydrophobicContact CB-CE1 4.24Å
150G94.9Very high95Very high1 Ų145 Ų451%0.0121%0.214CC..Hα-helixtrans-87.60.7-169.200000116.9C146 H147 G157 N161C146-G150 PolarHBondContact O-N 3.32Å; H147-G150 PolarHBondContact O-N 3.46Å; G150-G157 WeakPolarHBondContact O-CA 3.41Å; G150-N161 PolarHBondContact O-ND2 2.99Å
151N94Very high94.3Very high71 Ų7141 Ų4138%0.3821%0.205SC..Hα-helixtrans-129.3-20.6177.4-63-91.7000113.6H147 K153 S192H147-N151 PolarHBondContact CE1-ND2 3.23Å; H147-N151 PolarHBondContact ND1-ND2 3.32Å; H147-N151 WeakPolarHBondContact O-CB 3.27Å; H147-N151 PolarHBondContact O-N 3.19Å; H147-N151 VanDerWaalsContact O-N 3.08Å; H147-N151 PolarHBondContact O-ND2 3.38Å; N151-K153 PolarHBondContact O-N 3.15Å; N151-S192 PolarHBondContact ND2-OG 2.95Å
152D95.1Very high93.1Very high40 Ų4039.6 Ų39.621%0.21419%0.191CC..  trans-70.2119.8171.6-175.3-32.5000110.1R101 K148 D154 L155 G157R101-D152 IonicContact CZ-OD1 3.4Å; R101-D152 IonicContact CZ-OD2 3.83Å; R101-D152 VanDerWaalsContact NH1-CG 3.31Å; R101-D152 IonicContact NH1-OD1 2.72Å; R101-D152 PolarHBondContact NH1-OD1 2.99Å; R101-D152 VanDerWaalsContact NH1-OD1 3.11Å; R101-D152 IonicContact NH1-OD2 3.35Å; R101-D152 PolarHBondContact NH1-OD2 3.5Å; R101-D152 IonicContact NH2-OD2 2.64Å; R101-D152 PolarHBondContact NH2-OD2 3.01Å; K148-D152 WeakPolarHBondContact O-CB 3.17Å; K148-D152 PolarHBondContact O-N 3.24Å; D152-D154 VanDerWaalsContact C-N 3.27Å; D152-D154 PolarHBondContact O-N 3.27Å; D152-D154 PolarHBondContact OD1-N 3.19Å; D152-L155 HydrophobicContact CB-CB 4.07Å; D152-L155 HydrophobicContact CB-CD1 3.89Å; D152-L155 HydrophobicContact CB-CG 4.15Å; D152-L155 CarbonylContact O-C 3.42Å; D152-L155 PolarHBondContact O-N 2.85Å; D152-G157 WeakPolarHBondContact O-CA 3.43Å; D152-G157 PolarHBondContact O-N 2.93Å
153K93.7Very high91.1Very high131 Ų13147.5 Ų47.557%0.5722%0.221SC*.THydrogen-bonded Turntrans-66.1-20.8-177.458.1125.6-175.2132.70114.5K108 N151 E158K108-K153 PolarHBondContact NZ-O 3.21Å; N151-K153 PolarHBondContact O-N 3.15Å; K153-E158 HydrophobicContact CB-CG 4.1Å
154D94.5Very high88.7Confident60 Ų6046.6 Ų46.632%0.32122%0.217SC..THydrogen-bonded Turntrans-84-30.7174.6-50.1-32.9000110.8R101 S104 K108 D152R101-D154 HydrophobicContact CG-CB 3.82Å; R101-D154 IonicContact NH1-OD2 3.9Å; R101-D154 PolarHBondContact NH1-OD2 3.13Å; S104-D154 VanDerWaalsContact CB-O 3.23Å; S104-D154 WeakPolarHBondContact CB-O 3.45Å; K108-D154 PolarHBondContact NZ-O 3.03Å; D152-D154 VanDerWaalsContact C-N 3.27Å; D152-D154 PolarHBondContact O-N 3.27Å; D152-D154 PolarHBondContact OD1-N 3.19Å
155L96.3Very high85.8Confident0 Ų049.9 Ų49.90%023%0.228CC..THydrogen-bonded Turntrans-79.6-143.4168.1-60.9171.3000110.4L97 I100 R101 K108 L149 D152 G157L97-L155 HydrophobicContact CD2-CD1 3.93Å; I100-L155 HydrophobicContact CB-CD2 4.12Å; I100-L155 HydrophobicContact CG2-CD2 3.82Å; R101-L155 HydrophobicContact CB-CD2 3.77Å; R101-L155 HydrophobicContact CG-CD2 4.39Å; K108-L155 PolarHBondContact NZ-O 3.03Å; L149-L155 HydrophobicContact CD2-CD1 4.41Å; D152-L155 HydrophobicContact CB-CB 4.07Å; D152-L155 HydrophobicContact CB-CD1 3.89Å; D152-L155 HydrophobicContact CB-CG 4.15Å; D152-L155 CarbonylContact O-C 3.42Å; D152-L155 PolarHBondContact O-N 2.85Å; L155-G157 VanDerWaalsContact C-N 3.27Å; L155-G157 PolarHBondContact O-N 2.95Å
156W95.9Very high82.6Confident0 Ų056.6 Ų56.60%026%0.259CS..THydrogen-bonded Turntrans-80.9-4.3-171.9-53-11.4000114W80 I100 P120 L122 L149 E158 W159 I160 F191W80-W156 AromaticContact CH2-CD1 3.87Å; W80-W156 AromaticContact CH2-NE1 3.16Å; W80-W156 AromaticContact CZ3-CD1 3.61Å; W80-W156 AromaticContact CZ3-NE1 3.23Å; I100-W156 HydrophobicContact CG2-CZ2 4.46Å; P120-W156 HydrophobicContact CB-CD2 3.71Å; P120-W156 HydrophobicContact CB-CE3 3.9Å; P120-W156 HydrophobicContact CB-CG 4.1Å; P120-W156 HydrophobicContact CB-CH2 4.35Å; P120-W156 HydrophobicContact CB-CZ2 4.2Å; P120-W156 HydrophobicContact CB-CZ3 4.21Å; P120-W156 HydrophobicContact CG-CB 4.23Å; P120-W156 HydrophobicContact CG-CD2 4Å; P120-W156 HydrophobicContact CG-CE3 4.06Å; P120-W156 HydrophobicContact CG-CG 4.08Å; L122-W156 HydrophobicContact CB-CH2 4.41Å; L122-W156 HydrophobicContact CD1-CH2 3.89Å; L122-W156 HydrophobicContact CD1-CZ3 4.28Å; L149-W156 HydrophobicContact CB-CE3 4.34Å; L149-W156 HydrophobicContact CD1-CH2 4.47Å; L149-W156 HydrophobicContact CD1-CZ3 4.32Å; L149-W156 HydrophobicContact CD2-CD2 4.45Å; L149-W156 WeakPolarHBondContact O-CB 3.46Å; L149-W156 PolarHBondContact O-N 3.31Å; L149-W156 VanDerWaalsContact O-N 3.08Å; W156-E158 PolarHBondContact O-N 2.59Å; W156-W159 HydrophobicContact CB-CE3 4.25Å; W156-W159 PolarHBondContact O-N 2.62Å; W156-I160 HydrophobicContact CB-CG1 4Å; W156-I160 WeakPolarHBondContact O-CG1 3.17Å; W156-I160 PolarHBondContact O-N 2.92Å; W156-F191 HydrophobicContact CE3-CE1 4.36Å; W156-F191 HydrophobicContact CE3-CE2 4.38Å; W156-F191 AromaticContact CE3-CZ 3.66Å; W156-F191 HydrophobicContact CE3-CZ 3.66Å; W156-F191 HydrophobicContact CZ3-CE2 4.33Å; W156-F191 AromaticContact CZ3-CZ 3.73Å; W156-F191 HydrophobicContact CZ3-CZ 3.73Å
157G93.7Very high79.8Confident4 Ų463.2 Ų63.24%0.04129%0.289CS..Hα-helixtrans-56.1-30-169.600000115.1L149 G150 D152 L155 N161L149-G157 PolarHBondContact O-N 3.35Å; G150-G157 WeakPolarHBondContact O-CA 3.41Å; D152-G157 WeakPolarHBondContact O-CA 3.43Å; D152-G157 PolarHBondContact O-N 2.93Å; L155-G157 VanDerWaalsContact C-N 3.27Å; L155-G157 PolarHBondContact O-N 2.95Å; G157-N161 WeakPolarHBondContact O-CB 3.34Å; G157-N161 PolarHBondContact O-N 3.25Å; G157-N161 PolarHBondContact O-ND2 2.89Å
158E91Very high76.5Confident69 Ų6964.3 Ų64.332%0.32231%0.305SS..Hα-helixtrans-74.6-31.8176-64.2-169.8109.500113.7K108 V113 K153 W156 H162K108-E158 IonicContact NZ-OE2 3.28Å; K108-E158 PolarHBondContact NZ-OE2 3.49Å; V113-E158 HydrophobicContact CG1-CB 4.22Å; V113-E158 HydrophobicContact CG2-CB 4.42Å; K153-E158 HydrophobicContact CB-CG 4.1Å; W156-E158 PolarHBondContact O-N 2.59Å; E158-H162 WeakPolarHBondContact O-CA 3.46Å; E158-H162 VanDerWaalsContact O-CB 3.23Å; E158-H162 WeakPolarHBondContact O-CB 3.46Å; E158-H162 PolarHBondContact O-N 3.46Å
159W92.8Very high73.3Confident0 Ų066 Ų660%033%0.328CS..Hα-helixtrans-82.2-39.6177-60.4-58.2000112.2W80 L107 K108 Y117 I118 P120 W156 H162W80-W159 HydrophobicContact CE3-CZ3 4.44Å; W80-W159 HydrophobicContact CZ3-CH2 4.31Å; W80-W159 AromaticContact CZ3-CZ3 3.77Å; W80-W159 HydrophobicContact CZ3-CZ3 3.77Å; L107-W159 HydrophobicContact CB-CH2 4.2Å; L107-W159 HydrophobicContact CB-CZ2 4.46Å; K108-W159 HydrophobicContact CD-CH2 4.24Å; K108-W159 HydrophobicContact CD-CZ2 4.2Å; K108-W159 HydrophobicContact CG-CH2 3.81Å; K108-W159 HydrophobicContact CG-CZ2 3.47Å; K108-W159 VanDerWaalsContact CG-CZ2 3.47Å; Y117-W159 HydrophobicContact CE2-CB 4.13Å; Y117-W159 WeakPolarHBondContact CE2-O 3.13Å; Y117-W159 PolarHBondContact OH-O 2.89Å; I118-W159 HydrophobicContact CB-CD2 4.19Å; I118-W159 HydrophobicContact CB-CG 4.39Å; I118-W159 HydrophobicContact CB-CZ2 4.17Å; I118-W159 HydrophobicContact CD1-CH2 4.34Å; I118-W159 HydrophobicContact CD1-CZ2 3.58Å; I118-W159 HydrophobicContact CG1-CZ2 4.03Å; P120-W159 HydrophobicContact CG-CE3 4.47Å; W156-W159 HydrophobicContact CB-CE3 4.25Å; W156-W159 PolarHBondContact O-N 2.62Å; W159-H162 WeakPolarHBondContact O-CB 3.49Å; W159-H162 PolarHBondContact O-N 2.91Å
160I91.7Very high70.3Confident29 Ų2970.5 Ų70.515%0.14936%0.359CS..Hα-helixtrans-66.6-42.4174.9-59.8-56000110.6P120 W156 H162 F191 F197P120-I160 HydrophobicContact CG-CD1 4.36Å; W156-I160 HydrophobicContact CB-CG1 4Å; W156-I160 WeakPolarHBondContact O-CG1 3.17Å; W156-I160 PolarHBondContact O-N 2.92Å; I160-H162 VanDerWaalsContact C-N 3.31Å; I160-H162 PolarHBondContact O-N 3.05Å; I160-F191 HydrophobicContact CD1-CD1 4.35Å; I160-F191 HydrophobicContact CD1-CD2 3.86Å; I160-F191 HydrophobicContact CD1-CE2 4.01Å; I160-F191 HydrophobicContact CD1-CG 4.03Å; I160-F191 HydrophobicContact CD1-CZ 4.36Å; I160-F191 HydrophobicContact CG1-CD1 4.24Å; I160-F191 HydrophobicContact CG1-CE1 4.42Å; I160-F191 HydrophobicContact CG1-CG 4.34Å; I160-F191 HydrophobicContact CG2-CB 3.78Å; I160-F191 HydrophobicContact CG2-CD1 4.17Å; I160-F191 HydrophobicContact CG2-CG 4Å; I160-F197 HydrophobicContact CD1-CD1 3.68Å; I160-F197 HydrophobicContact CD1-CD2 4.15Å; I160-F197 HydrophobicContact CD1-CE1 3.36Å; I160-F197 HydrophobicContact CD1-CE2 3.87Å; I160-F197 HydrophobicContact CD1-CG 4.07Å; I160-F197 HydrophobicContact CD1-CZ 3.47Å; I160-F197 VanDerWaalsContact CD1-CZ 3.47Å
161N81.3Confident67.6Low72 Ų7276.8 Ų76.839%0.38540%0.403SS..THydrogen-bonded Turntrans-9222.1175.5-59.6-75.7000113.3G150 G157 R163G150-N161 PolarHBondContact O-ND2 2.99Å; G157-N161 WeakPolarHBondContact O-CB 3.34Å; G157-N161 PolarHBondContact O-N 3.25Å; G157-N161 PolarHBondContact O-ND2 2.89Å; N161-R163 PolarHBondContact O-N 3.32Å
162H68.9Low65.2Low32 Ų3280.4 Ų80.415%0.14841%0.412CS..  trans-74.954.4178.9-149.1-116.6000113.5Y117 E158 W159 I160 Q164 H199Y117-H162 HydrophobicContact CD2-CB 4.27Å; Y117-H162 AromaticContact CD2-ND1 3.99Å; Y117-H162 HydrophobicContact CE2-CB 3.78Å; E158-H162 WeakPolarHBondContact O-CA 3.46Å; E158-H162 VanDerWaalsContact O-CB 3.23Å; E158-H162 WeakPolarHBondContact O-CB 3.46Å; E158-H162 PolarHBondContact O-N 3.46Å; W159-H162 WeakPolarHBondContact O-CB 3.49Å; W159-H162 PolarHBondContact O-N 2.91Å; I160-H162 VanDerWaalsContact C-N 3.31Å; I160-H162 PolarHBondContact O-N 3.05Å; H162-Q164 PolarHBondContact O-N 3.09Å; H162-H199 PolarHBondContact O-CE1 3.36Å
163R52.7Low62.6Low173 Ų17382.7 Ų82.765%0.65343%0.429SS*.  trans-77.769.6173.4-55.2-170-158.1-158.76.8110N161 K165N161-R163 PolarHBondContact O-N 3.32Å; R163-K165 PolarHBondContact O-N 2.73Å
164Q47.3Very low59.8Low35 Ų3578.9 Ų78.916%0.16442%0.418CS..  trans41.171157.7-60163.3-20.300114.5H162 K166 F178H162-Q164 PolarHBondContact O-N 3.09Å; Q164-K166 PolarHBondContact O-N 2.79Å; Q164-F178 VanDerWaalsContact NE2-CD2 3.33Å
165K35.2Very low57.4Low137 Ų13779.9 Ų79.960%0.59642%0.42SS*.  trans-56.1126.9168.3-70.5173.8-176.4163.60108.6R163 H167R163-K165 PolarHBondContact O-N 2.73Å; K165-H167 VanDerWaalsContact C-N 3.32Å; K165-H167 PolarHBondContact O-CD2 3.12Å; K165-H167 PolarHBondContact O-N 2.89Å
166K30.9Very low54.6Low173 Ų17381.3 Ų81.375%0.75243%0.43SS*.  trans-64.887176.3-90.2-172.7170.5-178.80111.1Q164 S168 S177Q164-K166 PolarHBondContact O-N 2.79Å; K166-S168 PolarHBondContact O-N 2.73Å; K166-S177 WeakPolarHBondContact CE-OG 3.38Å
167H36.1Very low51.6Low138 Ų13883.1 Ų83.164%0.63944%0.443SS*.  trans-91.286.6169.1-78.7-84.2000110.6K165K165-H167 VanDerWaalsContact C-N 3.32Å; K165-H167 PolarHBondContact O-CD2 3.12Å; K165-H167 PolarHBondContact O-N 2.89Å
168S27.2Very low49.1Very low101 Ų10185.3 Ų85.371%0.70645%0.451SS*.  trans-60.5151.6157.949.70000110.8K166K166-S168 PolarHBondContact O-N 2.73Å
169S30.2Very low46.6Very low121 Ų12185.8 Ų85.885%0.84646%0.459SS*.  trans62.672173.659.80000117.5
170S33.7Very low44.1Very low93 Ų9390.5 Ų90.565%0.6549%0.492SS*.  trans-141.6156.7133.5860000109.6R172S170-R172 PolarHBondContact O-N 2.83Å
171S37.6Very low41.7Very low134 Ų13497.1 Ų97.194%0.93752%0.522SS*.SBendtrans-90.243.2-177.960.80000112.8
172R43Very low40.2Very low146 Ų14696.5 Ų96.555%0.55152%0.519SS*.SBendtrans-116.4167.8172.7-92.8179.4165.5-174.5-9.8109.2T74 S170 S174T74-R172 PolarHBondContact OG1-NH2 3.14Å; T74-R172 VanDerWaalsContact OG1-NH2 3.12Å; S170-R172 PolarHBondContact O-N 2.83Å; R172-S174 PolarHBondContact O-N 2.74Å
173P41.3Very low39.5Very low88 Ų8897.5 Ų97.557%0.57153%0.529SS*.  trans-50.4118.3171.8-25.634.9000109.7F175P173-F175 PolarHBondContact O-N 3.42Å
174S34.6Very low39.6Very low51 Ų5193.7 Ų93.736%0.35753%0.529SS..BIsolated β-bridgetrans-72.3126.9-178.452.40000109R172 S176 N204R172-S174 PolarHBondContact O-N 2.74Å; S174-S176 PolarHBondContact O-N 3.34Å; S174-N204 PolarHBondContact OG-ND2 3.37Å
175F43.3Very low40.7Very low82 Ų8297.7 Ų97.736%0.3655%0.552SS.*  trans-6570.7156.3-80.2-90000108.1P173 S177 L201P173-F175 PolarHBondContact O-N 3.42Å; F175-S177 PolarHBondContact O-N 2.84Å; F175-L201 HydrophobicContact CE1-CD2 3.75Å
176S37.8Very low43Very low30 Ų3092.1 Ų92.121%0.2153%0.528CS..  trans-66.5124.8-170.358.70000109.3S174 F178 V202S174-S176 PolarHBondContact O-N 3.34Å; S176-F178 PolarHBondContact O-N 3.11Å; S176-V202 WeakPolarHBondContact OG-CG1 3.34Å
177S33.8Very low45.6Very low38 Ų3884.7 Ų84.727%0.26650%0.497SS..  trans-51.5133.417257.80000110.4K166 F175 T179K166-S177 WeakPolarHBondContact CE-OG 3.38Å; F175-S177 PolarHBondContact O-N 2.84Å; S177-T179 PolarHBondContact O-N 2.95Å
178F41.5Very low47.9Very low50 Ų5083.5 Ų83.522%0.21949%0.493CS..  trans-38.9117.1162.5-92.9-65.9000108.4Q164 S176 N182 Y200 W251Q164-F178 VanDerWaalsContact NE2-CD2 3.33Å; S176-F178 PolarHBondContact O-N 3.11Å; F178-N182 HydrophobicContact CD1-CB 3.6Å; F178-N182 HydrophobicContact CE1-CB 3.99Å; F178-N182 WeakPolarHBondContact CE1-O 3.27Å; F178-Y200 AromaticContact CE1-CD1 3.67Å; F178-Y200 HydrophobicContact CE1-CD1 3.67Å; F178-Y200 AromaticContact CE1-CE1 3.82Å; F178-Y200 HydrophobicContact CE1-CE1 3.82Å; F178-Y200 AromaticContact CE2-CD1 3.95Å; F178-Y200 HydrophobicContact CE2-CD1 3.95Å; F178-Y200 AromaticContact CZ-CD1 3.32Å; F178-Y200 HydrophobicContact CZ-CD1 3.32Å; F178-Y200 AromaticContact CZ-CE1 3.97Å; F178-Y200 HydrophobicContact CZ-CE1 3.97Å; F178-Y200 AromaticContact CZ-CG 4Å; F178-Y200 HydrophobicContact CZ-CG 4Å; F178-W251 HydrophobicContact CE1-CZ2 4.41Å
179T37.4Very low50.9Low78 Ų7879.7 Ų79.748%0.47947%0.466SS..  trans-59.9140156.555.60000106.5S177 E181 N182S177-T179 PolarHBondContact O-N 2.95Å; T179-E181 PolarHBondContact O-N 3.46Å; T179-N182 PolarHBondContact O-N 3.25Å; T179-N182 PolarHBondContact OG1-ND2 3.34Å
180S39.8Very low53.8Low99 Ų9977.5 Ų77.569%0.69245%0.445SS*.Hα-helixtrans-58.7-23.4-170.545.40000113.7N182 S183S180-N182 VanDerWaalsContact C-N 3.28Å; S180-N182 PolarHBondContact O-N 3.06Å; S180-S183 PolarHBondContact O-OG 2.99Å
181E41.3Very low56.8Low169 Ų16973.4 Ų73.479%0.7942%0.416SS*.Hα-helixtrans-67.8-20.9174.7-60172.5137.800113.9T179T179-E181 PolarHBondContact O-N 3.46Å
182N49.9Very low59.5Low59 Ų5967.5 Ų67.532%0.31638%0.375SS..Hα-helixtrans-97.3-14-179.9-80.4-70.2000113.6F178 T179 S180 R255F178-N182 HydrophobicContact CD1-CB 3.6Å; F178-N182 HydrophobicContact CE1-CB 3.99Å; F178-N182 WeakPolarHBondContact CE1-O 3.27Å; T179-N182 PolarHBondContact O-N 3.25Å; T179-N182 PolarHBondContact OG1-ND2 3.34Å; S180-N182 VanDerWaalsContact C-N 3.28Å; S180-N182 PolarHBondContact O-N 3.06Å; N182-R255 PolarHBondContact OD1-NH1 3.04Å
183S54.9Low61.9Low52 Ų5265.4 Ų65.436%0.36437%0.371SS..Hα-helixtrans-102.5-16.8-16959.10000116.5S180 D185S180-S183 PolarHBondContact O-OG 2.99Å; S183-D185 PolarHBondContact O-N 2.94Å
184S54Low64.5Low93 Ų9362 Ų6265%0.6535%0.348SS*.THydrogen-bonded Turntrans-65.2-27.3-174.551.40000113.9
185D72Confident67.5Low120 Ų12059.5 Ų59.564%0.64233%0.331SS*.THydrogen-bonded Turntrans-113.93.2-166.2-69.541.5000112.9S183S183-D185 PolarHBondContact O-N 2.94Å
186F82.4Confident70Confident20 Ų2055.8 Ų55.89%0.08832%0.315CS..SBendtrans-73.1125.7175.7-175.9-107.1000109.7M188 S198 I215 W251F186-M188 VanDerWaalsContact C-N 3.33Å; F186-M188 HydrophobicContact CD1-CG 3.88Å; F186-M188 PolarHBondContact O-N 3.44Å; F186-S198 WeakPolarHBondContact CE1-OG 3.26Å; F186-S198 VanDerWaalsContact CZ-OG 3.23Å; F186-S198 WeakPolarHBondContact CZ-OG 3.3Å; F186-I215 HydrophobicContact CE2-CG2 4.4Å; F186-I215 HydrophobicContact CZ-CG2 4.33Å; F186-W251 HydrophobicContact CB-CZ2 4.25Å; F186-W251 AromaticContact CD2-CD2 3.65Å; F186-W251 HydrophobicContact CD2-CD2 3.65Å; F186-W251 AromaticContact CD2-CE2 3.62Å; F186-W251 AromaticContact CD2-CE3 3.77Å; F186-W251 HydrophobicContact CD2-CE3 3.77Å; F186-W251 HydrophobicContact CD2-CG 4.25Å; F186-W251 AromaticContact CD2-CH2 3.84Å; F186-W251 HydrophobicContact CD2-CH2 3.84Å; F186-W251 AromaticContact CD2-CZ2 3.72Å; F186-W251 HydrophobicContact CD2-CZ2 3.72Å; F186-W251 AromaticContact CD2-CZ3 3.87Å; F186-W251 HydrophobicContact CD2-CZ3 3.87Å; F186-W251 HydrophobicContact CE2-CD2 4.27Å; F186-W251 AromaticContact CE2-CE3 3.96Å; F186-W251 HydrophobicContact CE2-CE3 3.96Å; F186-W251 HydrophobicContact CE2-CH2 4.3Å; F186-W251 AromaticContact CE2-CZ3 3.98Å; F186-W251 HydrophobicContact CE2-CZ3 3.98Å; F186-W251 HydrophobicContact CG-CZ2 4.42Å
187P85.9Confident72.8Confident17 Ų1755 Ų5511%0.1131%0.308CS..  trans-71.186.6-177.827.9-33.8000110.9S189 W244 Q247 W251P187-S189 PolarHBondContact O-N 2.78Å; P187-W244 PolarHBondContact O-NE1 3.34Å; P187-Q247 HydrophobicContact CB-CB 4.02Å; P187-Q247 HydrophobicContact CG-CB 4.24Å; P187-W251 HydrophobicContact CG-CB 4.45Å
188M84Confident75.7Confident113 Ų11353.9 Ų53.956%0.55730%0.3SS*.  trans-76.6121.7175.5-68.1-16275.700111.2F186F186-M188 VanDerWaalsContact C-N 3.33Å; F186-M188 HydrophobicContact CD1-CG 3.88Å; F186-M188 PolarHBondContact O-N 3.44Å
189S90.3Very high78Confident20 Ų2052.4 Ų52.414%0.1429%0.294CS..  trans-77.5146.1161.4172.70000110.5P187 F191 T194 F196P187-S189 PolarHBondContact O-N 2.78Å; S189-F191 PolarHBondContact O-N 3.43Å; S189-T194 PolarHBondContact OG-OG1 3.08Å; S189-F196 VanDerWaalsContact CB-O 3.23Å; S189-F196 WeakPolarHBondContact CB-O 3.31Å; S189-F196 VanDerWaalsContact OG-CD2 3.23Å; S189-F196 WeakPolarHBondContact OG-CD2 3.44Å; S189-F196 VanDerWaalsContact OG-CE2 3.25Å; S189-F196 WeakPolarHBondContact OG-CE2 3.43Å; S189-F196 PolarHBondContact OG-O 2.92Å
190N92.3Very high80.4Confident76 Ų7649.3 Ų49.341%0.40627%0.273SS..  trans-91.495.6170.3-178.82.4000109.9S192 Q193 T194N190-S192 PolarHBondContact O-N 3.46Å; N190-S192 PolarHBondContact OD1-N 3.28Å; N190-Q193 HydrophobicContact CB-CB 4.41Å; N190-Q193 PolarHBondContact ND2-OE1 3.4Å; N190-Q193 PolarHBondContact O-N 3.23Å; N190-T194 PolarHBondContact O-N 3.26Å; N190-T194 PolarHBondContact O-OG1 3.11Å
191F95.2Very high82.5Confident7 Ų744.8 Ų44.83%0.03124%0.242CC..Hα-helixtrans-49.4-35.9-178.1-176.2-91.2000114C146 L149 W156 I160 S189 Q193 T194 C195 F197C146-F191 HydrophobicContact CB-CD1 4.4Å; C146-F191 HydrophobicContact CB-CE1 4.05Å; C146-F191 WeakPolarHBondContact CB-O 3.41Å; C146-F191 WeakPolarHBondContact O-CD1 3.45Å; C146-F191 VanDerWaalsContact O-CE1 3.27Å; C146-F191 WeakPolarHBondContact O-CE1 3.33Å; L149-F191 HydrophobicContact CB-CE1 4.24Å; W156-F191 HydrophobicContact CE3-CE1 4.36Å; W156-F191 HydrophobicContact CE3-CE2 4.38Å; W156-F191 AromaticContact CE3-CZ 3.66Å; W156-F191 HydrophobicContact CE3-CZ 3.66Å; W156-F191 HydrophobicContact CZ3-CE2 4.33Å; W156-F191 AromaticContact CZ3-CZ 3.73Å; W156-F191 HydrophobicContact CZ3-CZ 3.73Å; I160-F191 HydrophobicContact CD1-CD1 4.35Å; I160-F191 HydrophobicContact CD1-CD2 3.86Å; I160-F191 HydrophobicContact CD1-CE2 4.01Å; I160-F191 HydrophobicContact CD1-CG 4.03Å; I160-F191 HydrophobicContact CD1-CZ 4.36Å; I160-F191 HydrophobicContact CG1-CD1 4.24Å; I160-F191 HydrophobicContact CG1-CE1 4.42Å; I160-F191 HydrophobicContact CG1-CG 4.34Å; I160-F191 HydrophobicContact CG2-CB 3.78Å; I160-F191 HydrophobicContact CG2-CD1 4.17Å; I160-F191 HydrophobicContact CG2-CG 4Å; S189-F191 PolarHBondContact O-N 3.43Å; F191-Q193 PolarHBondContact O-N 3.12Å; F191-T194 PolarHBondContact O-N 3.39Å; F191-C195 HydrophobicContact CE2-CB 4.43Å; F191-C195 WeakPolarHBondContact CE2-O 3.2Å; F191-C195 WeakPolarHBondContact O-CA 3.26Å; F191-C195 PolarHBondContact O-N 3.29Å; F191-F197 HydrophobicContact CB-CB 4.48Å; F191-F197 HydrophobicContact CD2-CB 4.32Å; F191-F197 AromaticContact CD2-CD1 3.62Å; F191-F197 HydrophobicContact CD2-CD1 3.62Å; F191-F197 HydrophobicContact CD2-CE1 4.36Å; F191-F197 HydrophobicContact CD2-CG 4.24Å; F191-F197 HydrophobicContact CE2-CD1 4.02Å; F191-F197 HydrophobicContact CE2-CE1 4.39Å
192S95.3Very high84.1Confident10 Ų1038 Ų387%0.0721%0.212CC..Hα-helixtrans-65.8-17.9177.3-60.50000114.2F143 H147 N151 N190F143-S192 WeakPolarHBondContact CA-O 3.37Å; F143-S192 WeakPolarHBondContact CD2-O 3.29Å; H147-S192 PolarHBondContact ND1-OG 3.49Å; H147-S192 VanDerWaalsContact ND1-OG 3.14Å; N151-S192 PolarHBondContact ND2-OG 2.95Å; N190-S192 PolarHBondContact O-N 3.46Å; N190-S192 PolarHBondContact OD1-N 3.28Å
193Q94Very high85.1Confident101 Ų10136.4 Ų36.447%0.47220%0.201SC..Hα-helixtrans-101.2-28.1177.6-71.3173.5-39.800112.8R142 F143 N190 F191R142-Q193 VanDerWaalsContact CZ-O 3.32Å; R142-Q193 PolarHBondContact NE-O 3.49Å; R142-Q193 PolarHBondContact NH2-O 3.24Å; F143-Q193 HydrophobicContact CD2-CG 3.96Å; F143-Q193 HydrophobicContact CE2-CG 4.02Å; N190-Q193 HydrophobicContact CB-CB 4.41Å; N190-Q193 PolarHBondContact ND2-OE1 3.4Å; N190-Q193 PolarHBondContact O-N 3.23Å; F191-Q193 PolarHBondContact O-N 3.12Å
194T95.2Very high85.1Confident16 Ų1637.7 Ų37.710%0.09820%0.204CC..Hα-helixtrans-124.8-21.2-163.757.80000115.2S189 N190 F191 F196 N220S189-T194 PolarHBondContact OG-OG1 3.08Å; N190-T194 PolarHBondContact O-N 3.26Å; N190-T194 PolarHBondContact O-OG1 3.11Å; F191-T194 PolarHBondContact O-N 3.39Å; T194-F196 VanDerWaalsContact CB-CE1 3.48Å; T194-F196 HydrophobicContact CG2-CE1 3.93Å; T194-F196 HydrophobicContact CG2-CE2 4.3Å; T194-F196 HydrophobicContact CG2-CZ 3.77Å; T194-F196 WeakPolarHBondContact O-CD1 3.42Å; T194-F196 PolarHBondContact O-N 2.78Å; T194-F196 VanDerWaalsContact O-N 3.13Å; T194-F196 PolarHBondContact OG1-O 3.08Å; T194-N220 PolarHBondContact O-ND2 2.86Å
195C96.6Very high85Confident0 Ų036.3 Ų36.30%019%0.192CC..SBendtrans59.410.3-172.7-31.90000115.4L122 M133 R142 C146 F191L122-C195 HydrophobicContact CD2-CB 4.47Å; M133-C195 HydrophobicContact CE-CB 4.48Å; R142-C195 WeakPolarHBondContact CG-SG 3.42Å; C146-C195 HydrophobicContact CB-CB 3.93Å; C146-C195 WeakPolarHBondContact CB-SG 3.46Å; C146-C195 WeakPolarHBondContact SG-CB 3.3Å; C146-C195 CovalentContact SG-SG 2.03Å; C146-C195 PolarHBondContact SG-SG 3.05Å; F191-C195 HydrophobicContact CE2-CB 4.43Å; F191-C195 WeakPolarHBondContact CE2-O 3.2Å; F191-C195 WeakPolarHBondContact O-CA 3.26Å; F191-C195 PolarHBondContact O-N 3.29Å
196F97.1Very high83.9Confident4 Ų438.4 Ų38.42%0.01820%0.203CC..  trans-119.2150171.160.8-107.6000111S189 T194 S218 N220 L239 Q241 W244S189-F196 VanDerWaalsContact CB-O 3.23Å; S189-F196 WeakPolarHBondContact CB-O 3.31Å; S189-F196 VanDerWaalsContact OG-CD2 3.23Å; S189-F196 WeakPolarHBondContact OG-CD2 3.44Å; S189-F196 VanDerWaalsContact OG-CE2 3.25Å; S189-F196 WeakPolarHBondContact OG-CE2 3.43Å; S189-F196 PolarHBondContact OG-O 2.92Å; T194-F196 VanDerWaalsContact CB-CE1 3.48Å; T194-F196 HydrophobicContact CG2-CE1 3.93Å; T194-F196 HydrophobicContact CG2-CE2 4.3Å; T194-F196 HydrophobicContact CG2-CZ 3.77Å; T194-F196 WeakPolarHBondContact O-CD1 3.42Å; T194-F196 PolarHBondContact O-N 2.78Å; T194-F196 VanDerWaalsContact O-N 3.13Å; T194-F196 PolarHBondContact OG1-O 3.08Å; F196-S218 WeakPolarHBondContact CA-O 3.33Å; F196-S218 WeakPolarHBondContact CB-O 3.42Å; F196-N220 HydrophobicContact CB-CB 3.85Å; F196-N220 HydrophobicContact CD1-CB 4.17Å; F196-L239 HydrophobicContact CE1-CB 4.01Å; F196-Q241 HydrophobicContact CD1-CB 3.97Å; F196-Q241 VanDerWaalsContact CD1-CD 3.42Å; F196-Q241 HydrophobicContact CD1-CG 3.75Å; F196-Q241 HydrophobicContact CD2-CG 4.36Å; F196-Q241 HydrophobicContact CE1-CB 3.45Å; F196-Q241 VanDerWaalsContact CE1-CB 3.45Å; F196-Q241 HydrophobicContact CE1-CG 3.75Å; F196-Q241 HydrophobicContact CE2-CB 4.47Å; F196-Q241 HydrophobicContact CE2-CG 4.37Å; F196-Q241 HydrophobicContact CG-CG 4.08Å; F196-Q241 VanDerWaalsContact CG-OE1 3.26Å; F196-Q241 HydrophobicContact CZ-CB 3.75Å; F196-Q241 HydrophobicContact CZ-CG 4.08Å; F196-W244 HydrophobicContact CB-CZ3 4.32Å; F196-W244 AromaticContact CD2-CD2 3.76Å; F196-W244 HydrophobicContact CD2-CD2 3.76Å; F196-W244 AromaticContact CD2-CE3 3.34Å; F196-W244 HydrophobicContact CD2-CE3 3.34Å; F196-W244 AromaticContact CD2-CH2 3.87Å; F196-W244 HydrophobicContact CD2-CH2 3.87Å; F196-W244 HydrophobicContact CD2-CZ2 4.27Å; F196-W244 AromaticContact CD2-CZ3 3.39Å; F196-W244 HydrophobicContact CD2-CZ3 3.39Å; F196-W244 HydrophobicContact CE2-CB 4.13Å; F196-W244 AromaticContact CE2-CD2 3.53Å; F196-W244 HydrophobicContact CE2-CD2 3.53Å; F196-W244 AromaticContact CE2-CE3 3.4Å; F196-W244 HydrophobicContact CE2-CE3 3.4Å; F196-W244 AromaticContact CE2-CG 3.85Å; F196-W244 HydrophobicContact CE2-CG 3.85Å; F196-W244 AromaticContact CE2-CZ3 3.98Å; F196-W244 HydrophobicContact CE2-CZ3 3.98Å; F196-W244 HydrophobicContact CG-CE3 4.33Å; F196-W244 HydrophobicContact CG-CZ3 4.13Å; F196-W244 HydrophobicContact CZ-CE3 4.4Å
197F96Very high82.1Confident12 Ų1240 Ų405%0.05322%0.217CC..EExtended strand (participates in β ladder)trans-163174.8-17877.2-71.6000112.3Y117 L119 P120 I160 F191 S218 W244Y117-F197 WeakPolarHBondContact OH-CE2 3.47Å; L119-F197 HydrophobicContact CD1-CE1 4.4Å; L119-F197 HydrophobicContact CD1-CE2 3.88Å; L119-F197 HydrophobicContact CD1-CZ 3.6Å; L119-F197 HydrophobicContact CG-CZ 4.42Å; P120-F197 HydrophobicContact CG-CE1 4.5Å; P120-F197 HydrophobicContact CG-CZ 4.32Å; P120-F197 WeakPolarHBondContact O-CE1 3.13Å; I160-F197 HydrophobicContact CD1-CD1 3.68Å; I160-F197 HydrophobicContact CD1-CD2 4.15Å; I160-F197 HydrophobicContact CD1-CE1 3.36Å; I160-F197 HydrophobicContact CD1-CE2 3.87Å; I160-F197 HydrophobicContact CD1-CG 4.07Å; I160-F197 HydrophobicContact CD1-CZ 3.47Å; I160-F197 VanDerWaalsContact CD1-CZ 3.47Å; F191-F197 HydrophobicContact CB-CB 4.48Å; F191-F197 HydrophobicContact CD2-CB 4.32Å; F191-F197 AromaticContact CD2-CD1 3.62Å; F191-F197 HydrophobicContact CD2-CD1 3.62Å; F191-F197 HydrophobicContact CD2-CE1 4.36Å; F191-F197 HydrophobicContact CD2-CG 4.24Å; F191-F197 HydrophobicContact CE2-CD1 4.02Å; F191-F197 HydrophobicContact CE2-CE1 4.39Å; F197-S218 VanDerWaalsContact CE1-CB 3.45Å; F197-S218 PolarHBondContact N-O 3.05Å; F197-S218 VanDerWaalsContact N-O 3.11Å; F197-S218 PolarHBondContact O-N 3.46Å; F197-W244 WeakPolarHBondContact O-CH2 3.46Å
198S94.2Very high80.2Confident15 Ų1550.7 Ų50.711%0.10526%0.256CS..EExtended strand (participates in β ladder)trans-137.2152.4175.253.10000111.6F186 L216F186-S198 WeakPolarHBondContact CE1-OG 3.26Å; F186-S198 VanDerWaalsContact CZ-OG 3.23Å; F186-S198 WeakPolarHBondContact CZ-OG 3.3Å; S198-L216 CarbonylContact C-O 3.59Å; S198-L216 WeakPolarHBondContact CA-O 3.41Å; S198-L216 VanDerWaalsContact CB-O 3.26Å; S198-L216 WeakPolarHBondContact CB-O 3.25Å
199H90.3Very high78.7Confident19 Ų1951.8 Ų51.89%0.08827%0.265CS..EExtended strand (participates in β ladder)trans-125.8147.7176.2-167.986.3000110Y117 H162 I215 L216Y117-H199 AromaticContact CD1-CD2 3.95Å; Y117-H199 AromaticContact CD2-CE1 3.98Å; Y117-H199 HydrophobicContact CE1-CB 3.72Å; Y117-H199 AromaticContact CE1-CD2 3.87Å; Y117-H199 AromaticContact CE1-CG 3.6Å; Y117-H199 AromaticContact CE2-CE1 3.7Å; Y117-H199 AromaticContact CE2-ND1 3.63Å; Y117-H199 AromaticContact CZ-CG 3.52Å; Y117-H199 AromaticContact CZ-ND1 3.49Å; H162-H199 PolarHBondContact O-CE1 3.36Å; H199-I215 CarbonylContact O-C 3.45Å; H199-I215 WeakPolarHBondContact O-CA 3.47Å; H199-L216 HydrophobicContact CB-CB 4.41Å; H199-L216 PolarHBondContact N-O 3.4Å; H199-L216 PolarHBondContact O-N 3.13Å
200Y87.2Confident77Confident13 Ų1358.3 Ų58.35%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-118.4104.1-174.7178.3-115.9000110.5F178 V202 N213 I215 W251 R255 D257F178-Y200 AromaticContact CE1-CD1 3.67Å; F178-Y200 HydrophobicContact CE1-CD1 3.67Å; F178-Y200 AromaticContact CE1-CE1 3.82Å; F178-Y200 HydrophobicContact CE1-CE1 3.82Å; F178-Y200 AromaticContact CE2-CD1 3.95Å; F178-Y200 HydrophobicContact CE2-CD1 3.95Å; F178-Y200 AromaticContact CZ-CD1 3.32Å; F178-Y200 HydrophobicContact CZ-CD1 3.32Å; F178-Y200 AromaticContact CZ-CE1 3.97Å; F178-Y200 HydrophobicContact CZ-CE1 3.97Å; F178-Y200 AromaticContact CZ-CG 4Å; F178-Y200 HydrophobicContact CZ-CG 4Å; Y200-V202 HydrophobicContact CD1-CG2 3.67Å; Y200-V202 HydrophobicContact CE1-CG2 3.31Å; Y200-N213 HydrophobicContact CE2-CB 3.54Å; Y200-N213 WeakPolarHBondContact OH-CB 3.45Å; Y200-N213 PolarHBondContact OH-ND2 3.23Å; Y200-N213 VanDerWaalsContact OH-ND2 3.15Å; Y200-I215 HydrophobicContact CD2-CG1 3.84Å; Y200-I215 HydrophobicContact CE2-CG1 4.38Å; Y200-W251 HydrophobicContact CD1-CH2 4.34Å; Y200-W251 AromaticContact CD2-CH2 3.82Å; Y200-W251 HydrophobicContact CD2-CH2 3.82Å; Y200-W251 AromaticContact CD2-CZ3 3.81Å; Y200-W251 HydrophobicContact CD2-CZ3 3.81Å; Y200-W251 HydrophobicContact CE1-CH2 4.15Å; Y200-W251 AromaticContact CE2-CH2 3.59Å; Y200-W251 HydrophobicContact CE2-CH2 3.59Å; Y200-W251 AromaticContact CE2-CZ3 3.65Å; Y200-W251 HydrophobicContact CE2-CZ3 3.65Å; Y200-W251 HydrophobicContact CG-CH2 4.19Å; Y200-W251 AromaticContact CZ-CH2 3.8Å; Y200-R255 PolarHBondContact OH-NH2 3.02Å; Y200-D257 PolarHBondContact OH-OD2 2.79Å
201L84.8Confident75.4Confident5 Ų556.3 Ų56.33%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-85.4113.6178.6-64.2179.2000110.2F77 F175 Y203 N213 L214 L216F77-L201 HydrophobicContact CB-CD1 4.26Å; F77-L201 HydrophobicContact CD1-CD1 3.51Å; F77-L201 HydrophobicContact CE1-CD1 4.04Å; F77-L201 HydrophobicContact CG-CD1 3.99Å; F175-L201 HydrophobicContact CE1-CD2 3.75Å; L201-Y203 HydrophobicContact CB-CE2 4.05Å; L201-N213 WeakPolarHBondContact O-CB 3.49Å; L201-L214 HydrophobicContact CB-CB 4.39Å; L201-L214 WeakPolarHBondContact CB-O 3.43Å; L201-L214 HydrophobicContact CD1-CD2 4.45Å; L201-L214 PolarHBondContact N-O 3.26Å; L201-L214 PolarHBondContact O-N 3.42Å; L201-L214 VanDerWaalsContact O-N 3.16Å; L201-L216 HydrophobicContact CD1-CD1 3.84Å; L201-L216 HydrophobicContact CD1-CD2 4.14Å; L201-L216 HydrophobicContact CD1-CG 3.93Å; L201-L216 HydrophobicContact CG-CD1 4.23Å; L201-L216 HydrophobicContact CG-CG 4.21Å
202V75.2Confident74.2Confident27 Ų2757.1 Ų57.116%0.16429%0.288CS..  trans-93.9116.4177.3-175.10000110.1S176 Y200 N204 N213S176-V202 WeakPolarHBondContact OG-CG1 3.34Å; Y200-V202 HydrophobicContact CD1-CG2 3.67Å; Y200-V202 HydrophobicContact CE1-CG2 3.31Å; V202-N204 HydrophobicContact CG1-CB 4.17Å; V202-N204 PolarHBondContact O-N 2.96Å; V202-N213 WeakPolarHBondContact CA-OD1 3.11Å
203Y70.1Confident73.8Confident25 Ų2557.4 Ų57.410%0.09829%0.288CS..  trans-91.875.7174-70.1-84.4000109.6D76 L201 T205 N213 L214 M357D76-Y203 HydrophobicContact CB-CE1 4.49Å; D76-Y203 WeakPolarHBondContact OD1-CE1 3.29Å; L201-Y203 HydrophobicContact CB-CE2 4.05Å; Y203-T205 PolarHBondContact O-N 3.32Å; Y203-N213 PolarHBondContact N-OD1 3.03Å; Y203-L214 HydrophobicContact CE2-CB 4.09Å; Y203-M357 HydrophobicContact CD2-CE 3.42Å; Y203-M357 VanDerWaalsContact CD2-CE 3.42Å; Y203-M357 HydrophobicContact CE2-CE 3.53Å; Y203-M357 HydrophobicContact CG-CE 4.2Å
204N55.7Low73.7Confident79 Ų7952.6 Ų52.642%0.42227%0.266SS..BIsolated β-bridgetrans-76.295-176.7-161.738.4000110.6S174 V202S174-N204 PolarHBondContact OG-ND2 3.37Å; V202-N204 HydrophobicContact CG1-CB 4.17Å; V202-N204 PolarHBondContact O-N 2.96Å
205T51.3Low73.7Confident64 Ų6451.9 Ų51.939%0.39326%0.261SS..  trans-117139171.176.10000110.5Y203 S207 Q211Y203-T205 PolarHBondContact O-N 3.32Å; T205-S207 PolarHBondContact O-N 3.3Å; T205-Q211 PolarHBondContact OG1-OE1 3.34Å
206D48Very low73.6Confident163 Ų16351.9 Ų51.987%0.87226%0.261SS*.  trans-73.825.6-179.6-56.5-67.6000113.6
207S46.1Very low73.7Confident54 Ų5451.7 Ų51.738%0.37826%0.26SS..  trans-83.3132.8176.1-1110000111R19 T205 N209R19-S207 PolarHBondContact NH2-OG 2.03Å; T205-S207 PolarHBondContact O-N 3.3Å; S207-N209 PolarHBondContact O-N 3.3Å
208Y46.5Very low73.8Confident241 Ų24151.1 Ų51.195%0.94526%0.258SS*.SBendtrans-655.5-179.3-88.5-102.7000115.9
209N52.3Low74Confident137 Ų13750.4 Ų50.473%0.73325%0.253SS*.SBendtrans-105128.5171.9-82.4-4.6000109.6S207 Q211S207-N209 PolarHBondContact O-N 3.3Å; N209-Q211 PolarHBondContact O-N 3.43Å
210H53.9Low74.3Confident156 Ų15649.5 Ų49.572%0.72225%0.249SC*.  trans-64.995.4179.9-165.6-40000110.9
211Q59.6Low74.8Confident34 Ų3448.9 Ų48.916%0.15925%0.247CC..PPolyproline II helixtrans-63.4139.8169.5-120.1163.4-11.300109.2T205 N209T205-Q211 PolarHBondContact OG1-OE1 3.34Å; N209-Q211 PolarHBondContact O-N 3.43Å
212S68.8Low75.4Confident25 Ų2548.7 Ų48.718%0.17525%0.245CC..PPolyproline II helixtrans-77.2133.6169.7-70.50000108.9K256 M357S212-K256 WeakPolarHBondContact CB-O 3.32Å; S212-K256 PolarHBondContact OG-O 3.39Å; S212-M357 WeakPolarHBondContact O-CE 3.13Å
213N87.3Confident76.4Confident16 Ų1647.5 Ų47.59%0.08624%0.238CC..PPolyproline II helixtrans-82.5167.2173.9-54.6-87.1000109.7Y200 L201 V202 Y203 D257 K258Y200-N213 HydrophobicContact CE2-CB 3.54Å; Y200-N213 WeakPolarHBondContact OH-CB 3.45Å; Y200-N213 PolarHBondContact OH-ND2 3.23Å; Y200-N213 VanDerWaalsContact OH-ND2 3.15Å; L201-N213 WeakPolarHBondContact O-CB 3.49Å; V202-N213 WeakPolarHBondContact CA-OD1 3.11Å; Y203-N213 PolarHBondContact N-OD1 3.03Å; N213-D257 HydrophobicContact CB-CB 4.41Å; N213-D257 VanDerWaalsContact CB-OD1 3.22Å; N213-D257 WeakPolarHBondContact CB-OD1 3.44Å; N213-D257 PolarHBondContact N-OD1 2.92Å; N213-D257 PolarHBondContact ND2-OD1 3.12Å; N213-K258 PolarHBondContact O-N 3.39Å
214L92.2Very high77.6Confident0 Ų046.3 Ų46.30%023%0.234CC..EExtended strand (participates in β ladder)trans-116.1120.2-177.5-170.464.2000111.2F77 L201 Y203 L216 K258 L260 M300 M357F77-L214 HydrophobicContact CE1-CD2 3.79Å; F77-L214 HydrophobicContact CZ-CD2 3.88Å; L201-L214 HydrophobicContact CB-CB 4.39Å; L201-L214 WeakPolarHBondContact CB-O 3.43Å; L201-L214 HydrophobicContact CD1-CD2 4.45Å; L201-L214 PolarHBondContact N-O 3.26Å; L201-L214 PolarHBondContact O-N 3.42Å; L201-L214 VanDerWaalsContact O-N 3.16Å; Y203-L214 HydrophobicContact CE2-CB 4.09Å; L214-L216 HydrophobicContact CD2-CD2 3.87Å; L214-L216 HydrophobicContact CG-CD2 4.08Å; L214-K258 HydrophobicContact CD1-CB 4.18Å; L214-L260 HydrophobicContact CD1-CB 4.05Å; L214-L260 HydrophobicContact CD2-CB 4.36Å; L214-L260 HydrophobicContact CG-CB 4.38Å; L214-M300 HydrophobicContact CD1-CB 4.36Å; L214-M300 HydrophobicContact CD1-SD 3.76Å; L214-M300 HydrophobicContact CD2-SD 3.92Å; L214-M357 HydrophobicContact CB-CE 4.28Å; L214-M357 HydrophobicContact CB-SD 4.35Å; L214-M357 HydrophobicContact CD1-CG 4.38Å
215I94.4Very high79.5Confident0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-90.3117.1169-55.5157.4000107.3F186 H199 Y200 I217 T248 W251 A252 D257 K258 V259 L260F186-I215 HydrophobicContact CE2-CG2 4.4Å; F186-I215 HydrophobicContact CZ-CG2 4.33Å; H199-I215 CarbonylContact O-C 3.45Å; H199-I215 WeakPolarHBondContact O-CA 3.47Å; Y200-I215 HydrophobicContact CD2-CG1 3.84Å; Y200-I215 HydrophobicContact CE2-CG1 4.38Å; I215-I217 HydrophobicContact CG2-CD1 4.49Å; I215-I217 HydrophobicContact CG2-CG1 3.95Å; I215-T248 HydrophobicContact CG2-CG2 4.03Å; I215-W251 HydrophobicContact CD1-CE3 3.72Å; I215-W251 HydrophobicContact CD1-CZ3 3.79Å; I215-W251 HydrophobicContact CG1-CE3 4.44Å; I215-W251 HydrophobicContact CG1-CZ3 4.06Å; I215-A252 HydrophobicContact CD1-CB 3.49Å; I215-A252 VanDerWaalsContact CD1-CB 3.49Å; I215-D257 HydrophobicContact CD1-CB 4.38Å; I215-K258 PolarHBondContact N-O 3.42Å; I215-V259 HydrophobicContact CB-CG2 4.38Å; I215-V259 HydrophobicContact CD1-CG2 4.18Å; I215-V259 WeakPolarHBondContact O-CA 3.24Å; I215-L260 PolarHBondContact O-N 2.81Å
216L95.9Very high81.6Confident0 Ų044.9 Ų44.90%022%0.219CC..EExtended strand (participates in β ladder)trans-85.5131.1167.2-56.6-172.3000108.8F77 Y117 L119 S198 H199 L201 L214 L260F77-L216 HydrophobicContact CD2-CD1 4.22Å; F77-L216 HydrophobicContact CD2-CD2 4.4Å; F77-L216 HydrophobicContact CE2-CD2 4.08Å; F77-L216 HydrophobicContact CG-CD1 4.4Å; F77-L216 HydrophobicContact CZ-CD2 4.23Å; Y117-L216 HydrophobicContact CD1-CD1 3.9Å; Y117-L216 HydrophobicContact CE1-CD1 4.12Å; L119-L216 HydrophobicContact CB-CD1 4.16Å; L119-L216 HydrophobicContact CD1-CB 3.9Å; L119-L216 HydrophobicContact CD1-CD1 4.43Å; L119-L216 HydrophobicContact CD2-CB 4.13Å; S198-L216 CarbonylContact C-O 3.59Å; S198-L216 WeakPolarHBondContact CA-O 3.41Å; S198-L216 VanDerWaalsContact CB-O 3.26Å; S198-L216 WeakPolarHBondContact CB-O 3.25Å; H199-L216 HydrophobicContact CB-CB 4.41Å; H199-L216 PolarHBondContact N-O 3.4Å; H199-L216 PolarHBondContact O-N 3.13Å; L201-L216 HydrophobicContact CD1-CD1 3.84Å; L201-L216 HydrophobicContact CD1-CD2 4.14Å; L201-L216 HydrophobicContact CD1-CG 3.93Å; L201-L216 HydrophobicContact CG-CD1 4.23Å; L201-L216 HydrophobicContact CG-CG 4.21Å; L214-L216 HydrophobicContact CD2-CD2 3.87Å; L214-L216 HydrophobicContact CG-CD2 4.08Å; L216-L260 HydrophobicContact CD2-CB 3.89Å; L216-L260 HydrophobicContact CD2-CD2 3.9Å; L216-L260 HydrophobicContact CD2-CG 4.3Å
217I97.7Very high83.6Confident0 Ų038.5 Ų38.50%019%0.191CC..EExtended strand (participates in β ladder)trans-119.7125177.6-60.7-174.9000109I215 L219 W244 L245 T248 V259 L260 V262I215-I217 HydrophobicContact CG2-CD1 4.49Å; I215-I217 HydrophobicContact CG2-CG1 3.95Å; I217-L219 HydrophobicContact CG2-CD2 3.54Å; I217-L219 HydrophobicContact CG2-CG 4.03Å; I217-W244 HydrophobicContact CG2-CH2 3.85Å; I217-W244 HydrophobicContact CG2-CZ3 4.16Å; I217-L245 HydrophobicContact CD1-CD1 3.72Å; I217-L245 HydrophobicContact CG2-CD1 4.25Å; I217-T248 HydrophobicContact CD1-CG2 3.67Å; I217-T248 HydrophobicContact CG1-CG2 4.27Å; I217-V259 HydrophobicContact CD1-CG1 3.48Å; I217-V259 VanDerWaalsContact CD1-CG1 3.48Å; I217-V259 HydrophobicContact CG1-CG1 3.99Å; I217-L260 PolarHBondContact N-O 2.79Å; I217-V262 PolarHBondContact O-N 2.8Å
218S98.1Very high85.9Confident1 Ų136 Ų361%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-105.2103.2170.8163.40000109.1P120 F196 F197P120-S218 PolarHBondContact O-OG 3.43Å; F196-S218 WeakPolarHBondContact CA-O 3.33Å; F196-S218 WeakPolarHBondContact CB-O 3.42Å; F197-S218 VanDerWaalsContact CE1-CB 3.45Å; F197-S218 PolarHBondContact N-O 3.05Å; F197-S218 VanDerWaalsContact N-O 3.11Å; F197-S218 PolarHBondContact O-N 3.46Å
219L98.4Very high88Confident0 Ų031.1 Ų31.10%016%0.162CC..  trans-86.1131175.3-60.5-172.8000111.7V121 I217 G221 W224 Q241 W244 L245 L261 V262 S263 L288V121-L219 WeakPolarHBondContact CG1-O 3.39Å; I217-L219 HydrophobicContact CG2-CD2 3.54Å; I217-L219 HydrophobicContact CG2-CG 4.03Å; L219-G221 PolarHBondContact O-N 3.01Å; L219-G221 VanDerWaalsContact O-N 3.12Å; L219-W224 HydrophobicContact CD1-CH2 4.13Å; L219-W224 HydrophobicContact CD1-CZ3 4.02Å; L219-Q241 HydrophobicContact CD2-CG 4.41Å; L219-W244 HydrophobicContact CD2-CZ3 3.81Å; L219-L245 HydrophobicContact CD1-CD2 4.31Å; L219-L245 HydrophobicContact CD2-CD1 4.32Å; L219-L245 HydrophobicContact CD2-CD2 4.25Å; L219-L261 HydrophobicContact CD1-CD1 4.04Å; L219-L261 HydrophobicContact CD1-CD2 3.89Å; L219-L261 HydrophobicContact CD1-CG 4.05Å; L219-L261 HydrophobicContact CG-CG 4.35Å; L219-V262 PolarHBondContact N-O 2.63Å; L219-S263 PolarHBondContact O-OG 3.31Å; L219-L288 HydrophobicContact CD1-CD1 4.08Å
220N97.9Very high89.9Confident0 Ų028.3 Ų28.30%015%0.147CC..  trans-78.887.1166.8178.74.9000108.5M133 T194 F196 L222 Q241M133-N220 PolarHBondContact SD-ND2 3.3Å; M133-N220 VanDerWaalsContact SD-ND2 3.38Å; T194-N220 PolarHBondContact O-ND2 2.86Å; F196-N220 HydrophobicContact CB-CB 3.85Å; F196-N220 HydrophobicContact CD1-CB 4.17Å; N220-L222 PolarHBondContact O-N 3.33Å; N220-L222 WeakPolarHBondContact OD1-CB 3.47Å; N220-L222 PolarHBondContact OD1-N 2.86Å; N220-Q241 PolarHBondContact O-NE2 3.2Å
221G97.2Very high91.2Very high0 Ų021.3 Ų21.30%012%0.116CC..G310 helixtrans-72.9-14.2178.300000113.7L219 I223 W224 Y225 S263L219-G221 PolarHBondContact O-N 3.01Å; L219-G221 VanDerWaalsContact O-N 3.12Å; G221-I223 PolarHBondContact O-N 3.17Å; G221-W224 WeakPolarHBondContact O-CB 3.37Å; G221-W224 PolarHBondContact O-N 2.95Å; G221-Y225 PolarHBondContact O-N 3.43Å; G221-Y225 VanDerWaalsContact O-N 3.14Å; G221-S263 PolarHBondContact N-OG 3.44Å
222L96.3Very high91.5Very high0 Ų021.2 Ų21.20%012%0.124CC..G310 helixtrans-63.4-27.4-176.6-169.360.7000113.1L122 N124 V127 N131 M133 N220 W224 Y225 N228 F265L122-L222 HydrophobicContact CD2-CD2 4.07Å; N124-L222 HydrophobicContact CB-CD1 3.71Å; V127-L222 HydrophobicContact CG1-CD2 3.99Å; V127-L222 HydrophobicContact CG2-CD2 3.8Å; N131-L222 WeakPolarHBondContact O-CD1 3.28Å; M133-L222 HydrophobicContact CB-CD2 3.71Å; M133-L222 HydrophobicContact CB-CG 4.09Å; M133-L222 HydrophobicContact CE-CD2 4.23Å; M133-L222 HydrophobicContact SD-CD2 4.48Å; N220-L222 PolarHBondContact O-N 3.33Å; N220-L222 WeakPolarHBondContact OD1-CB 3.47Å; N220-L222 PolarHBondContact OD1-N 2.86Å; L222-W224 PolarHBondContact O-N 3.32Å; L222-Y225 HydrophobicContact CD1-CD1 4.21Å; L222-N228 WeakPolarHBondContact O-CB 3.37Å; L222-N228 PolarHBondContact O-ND2 3.5Å; L222-F265 HydrophobicContact CB-CE2 4.14Å; L222-F265 HydrophobicContact CD1-CE2 4.14Å; L222-F265 HydrophobicContact CD1-CZ 3.83Å
223I96Very high91.6Very high2 Ų223.6 Ų23.61%0.0114%0.138CC..G310 helixtrans-78.4-0.7175.672.2-175.9000113.5M133 I135 G221 P238 L239 Q241M133-I223 HydrophobicContact CG-CG2 4.32Å; M133-I223 HydrophobicContact SD-CG2 3.94Å; I135-I223 HydrophobicContact CB-CB 4.43Å; I135-I223 HydrophobicContact CG2-CB 3.69Å; I135-I223 HydrophobicContact CG2-CG2 3.96Å; G221-I223 PolarHBondContact O-N 3.17Å; I223-P238 HydrophobicContact CB-CB 4.37Å; I223-P238 HydrophobicContact CD1-CB 3.99Å; I223-P238 WeakPolarHBondContact CD1-O 3.46Å; I223-P238 HydrophobicContact CG1-CB 4.13Å; I223-L239 HydrophobicContact CD1-CB 4.12Å; I223-L239 HydrophobicContact CD1-CD1 3.91Å; I223-L239 HydrophobicContact CD1-CG 4.15Å; I223-L239 HydrophobicContact CG2-CD1 4.15Å; I223-Q241 HydrophobicContact CD1-CB 4.42Å
224W96.3Very high91.4Very high1 Ų130.3 Ų30.30%0.00417%0.174CC..THydrogen-bonded Turntrans-119.9-10.6175.9-58.3-34.2000112.9L219 G221 L222 Q241 F242 L280 H281 M284 L288L219-W224 HydrophobicContact CD1-CH2 4.13Å; L219-W224 HydrophobicContact CD1-CZ3 4.02Å; G221-W224 WeakPolarHBondContact O-CB 3.37Å; G221-W224 PolarHBondContact O-N 2.95Å; L222-W224 PolarHBondContact O-N 3.32Å; W224-Q241 HydrophobicContact CH2-CG 3.84Å; W224-Q241 HydrophobicContact CZ2-CB 3.8Å; W224-Q241 HydrophobicContact CZ2-CG 3.6Å; W224-F242 HydrophobicContact CD2-CE1 4.45Å; W224-F242 HydrophobicContact CD2-CZ 4.2Å; W224-F242 AromaticContact CE2-CE1 3.71Å; W224-F242 AromaticContact CE2-CZ 3.55Å; W224-F242 AromaticContact CH2-CD1 3.95Å; W224-F242 HydrophobicContact CH2-CD1 3.95Å; W224-F242 AromaticContact CH2-CE1 3.48Å; W224-F242 HydrophobicContact CH2-CE1 3.48Å; W224-F242 VanDerWaalsContact CH2-CE1 3.48Å; W224-F242 HydrophobicContact CH2-CZ 4.18Å; W224-F242 AromaticContact CZ2-CD1 3.54Å; W224-F242 HydrophobicContact CZ2-CD1 3.54Å; W224-F242 AromaticContact CZ2-CE1 3.15Å; W224-F242 HydrophobicContact CZ2-CE1 3.15Å; W224-F242 HydrophobicContact CZ2-CE2 4.2Å; W224-F242 HydrophobicContact CZ2-CG 4.21Å; W224-F242 AromaticContact CZ2-CZ 3.53Å; W224-F242 HydrophobicContact CZ2-CZ 3.53Å; W224-F242 HydrophobicContact CZ3-CE1 4.24Å; W224-F242 AromaticContact NE1-CE2 3.91Å; W224-F242 AromaticContact NE1-CZ 3.76Å; W224-L280 HydrophobicContact CB-CD2 3.92Å; W224-L280 CarbonylContact O-C 3.6Å; W224-L280 WeakPolarHBondContact O-CA 3.25Å; W224-H281 PolarHBondContact O-CD2 3.01Å; W224-H281 PolarHBondContact O-N 2.69Å; W224-M284 HydrophobicContact CB-CB 3.82Å; W224-M284 HydrophobicContact CB-CG 4.06Å; W224-M284 HydrophobicContact CG-CB 3.88Å; W224-M284 HydrophobicContact CG-CG 4.06Å; W224-L288 HydrophobicContact CH2-CD1 4.41Å; W224-L288 HydrophobicContact CZ3-CD1 4.33Å; W224-L288 HydrophobicContact CZ3-CD2 4.08Å
225Y96.2Very high91.3Very high32 Ų3233 Ų3313%0.12519%0.188CC..BIsolated β-bridgetrans-72.2131.9-174.7176.7-120.6000111.9N124 N131 G221 L222 G227 N228 F265 F279 H306N124-Y225 HydrophobicContact CB-CE1 4.5Å; N131-Y225 HydrophobicContact CB-CE1 4.28Å; N131-Y225 WeakPolarHBondContact OD1-CE1 3.15Å; G221-Y225 PolarHBondContact O-N 3.43Å; G221-Y225 VanDerWaalsContact O-N 3.14Å; L222-Y225 HydrophobicContact CD1-CD1 4.21Å; Y225-G227 VanDerWaalsContact C-N 3.28Å; Y225-G227 VanDerWaalsContact CE1-CA 3.43Å; Y225-G227 PolarHBondContact O-N 3.19Å; Y225-N228 HydrophobicContact CD1-CB 4.38Å; Y225-N228 WeakPolarHBondContact O-CB 3.31Å; Y225-N228 PolarHBondContact O-N 2.82Å; Y225-N228 VanDerWaalsContact O-N 3.08Å; Y225-F265 AromaticContact CD1-CE1 3.88Å; Y225-F265 HydrophobicContact CD1-CE1 3.88Å; Y225-F265 HydrophobicContact CD1-CZ 4.07Å; Y225-F265 AromaticContact CD2-CD1 3.31Å; Y225-F265 HydrophobicContact CD2-CD1 3.31Å; Y225-F265 AromaticContact CD2-CE1 3.22Å; Y225-F265 HydrophobicContact CD2-CE1 3.22Å; Y225-F265 HydrophobicContact CD2-CG 4.18Å; Y225-F265 HydrophobicContact CD2-CZ 4.04Å; Y225-F265 HydrophobicContact CE1-CE1 4.11Å; Y225-F265 AromaticContact CE2-CD1 3.72Å; Y225-F265 HydrophobicContact CE2-CD1 3.72Å; Y225-F265 AromaticContact CE2-CE1 3.51Å; Y225-F265 HydrophobicContact CE2-CE1 3.51Å; Y225-F265 AromaticContact CG-CD1 3.9Å; Y225-F265 HydrophobicContact CG-CD1 3.9Å; Y225-F265 AromaticContact CG-CE1 3.44Å; Y225-F265 HydrophobicContact CG-CE1 3.44Å; Y225-F265 VanDerWaalsContact CG-CE1 3.44Å; Y225-F265 HydrophobicContact CG-CE2 4.48Å; Y225-F265 AromaticContact CG-CZ 3.78Å; Y225-F265 HydrophobicContact CG-CZ 3.78Å; Y225-F265 AromaticContact CZ-CE1 3.94Å; Y225-F279 CarbonylContact C-O 3.6Å; Y225-F279 WeakPolarHBondContact CA-O 3.41Å; Y225-F279 HydrophobicContact CD2-CB 4.26Å; Y225-F279 WeakPolarHBondContact CD2-O 3.33Å; Y225-F279 HydrophobicContact CE2-CB 4.35Å; Y225-F279 HydrophobicContact CE2-CD1 4.45Å; Y225-H306 AromaticContact CE2-NE2 3.7Å
226Q93.4Very high91.1Very high81 Ų8137.2 Ų37.238%0.37922%0.215SC..THydrogen-bonded Turntrans-65.1-29.8-175.5-59.3-158.13400113.3N228 Q278 F279 L280 H281Q226-N228 VanDerWaalsContact C-N 3.27Å; Q226-N228 PolarHBondContact O-N 3.34Å; Q226-Q278 VanDerWaalsContact CD-O 3.29Å; Q226-Q278 PolarHBondContact NE2-O 3.12Å; Q226-F279 PolarHBondContact N-O 3.25Å; Q226-L280 PolarHBondContact NE2-O 3.02Å; Q226-H281 HydrophobicContact CG-CB 4.49Å
227G91.1Very high91.1Very high28 Ų2838.8 Ų38.829%0.28922%0.224SC..THydrogen-bonded Turntrans-77-7.2175.900000114.5N131 Y225 I229N131-G227 VanDerWaalsContact CB-O 3.32Å; N131-G227 WeakPolarHBondContact CB-O 3.5Å; Y225-G227 VanDerWaalsContact C-N 3.28Å; Y225-G227 VanDerWaalsContact CE1-CA 3.43Å; Y225-G227 PolarHBondContact O-N 3.19Å; G227-I229 PolarHBondContact O-N 3.04Å
228N94.6Very high91Very high1 Ų138.8 Ų38.81%0.00522%0.224CC..  trans-81.795.7170.3178.84.4000108.9N131 M133 L222 Y225 Q226 L230 A231N131-N228 WeakPolarHBondContact O-CB 3.42Å; N131-N228 PolarHBondContact O-OD1 2.96Å; M133-N228 PolarHBondContact N-OD1 3.07Å; M133-N228 VanDerWaalsContact N-OD1 3.14Å; M133-N228 PolarHBondContact O-ND2 2.79Å; M133-N228 PolarHBondContact O-OD1 3.2Å; L222-N228 WeakPolarHBondContact O-CB 3.37Å; L222-N228 PolarHBondContact O-ND2 3.5Å; Y225-N228 HydrophobicContact CD1-CB 4.38Å; Y225-N228 WeakPolarHBondContact O-CB 3.31Å; Y225-N228 PolarHBondContact O-N 2.82Å; Y225-N228 VanDerWaalsContact O-N 3.08Å; Q226-N228 VanDerWaalsContact C-N 3.27Å; Q226-N228 PolarHBondContact O-N 3.34Å; N228-L230 PolarHBondContact O-N 2.97Å; N228-L230 WeakPolarHBondContact OD1-CB 2.83Å; N228-L230 PolarHBondContact OD1-N 2.79Å; N228-L230 VanDerWaalsContact OD1-N 3.1Å; N228-A231 HydrophobicContact CB-CB 4.03Å; N228-A231 VanDerWaalsContact O-CB 3.31Å; N228-A231 WeakPolarHBondContact O-CB 3.42Å; N228-A231 PolarHBondContact O-N 3.43Å
229I90.7Very high90.8Very high139 Ų13939.9 Ų39.971%0.71323%0.23SC*.THydrogen-bonded Turntrans-62.9-7.6-178.771.6-179.9000114N132 G227N132-I229 WeakPolarHBondContact OD1-CG1 3.22Å; G227-I229 PolarHBondContact O-N 3.04Å
230L90.9Very high90.7Very high78 Ų7841.1 Ų41.141%0.40824%0.242SC..THydrogen-bonded Turntrans-96.8-4.7174.5-50.6179.3000112.9N132 E134 N228 G232N132-L230 HydrophobicContact CB-CD1 4.1Å; E134-L230 HydrophobicContact CG-CD1 4.01Å; N228-L230 PolarHBondContact O-N 2.97Å; N228-L230 WeakPolarHBondContact OD1-CB 2.83Å; N228-L230 PolarHBondContact OD1-N 2.79Å; N228-L230 VanDerWaalsContact OD1-N 3.1Å; L230-G232 PolarHBondContact O-N 2.8Å
231A81.4Confident90.7Very high10 Ų1041.1 Ų41.18%0.08324%0.242CC..  trans-82.796.2170.300000110.2I135 N228 H281I135-A231 HydrophobicContact CG2-CB 4.08Å; N228-A231 HydrophobicContact CB-CB 4.03Å; N228-A231 VanDerWaalsContact O-CB 3.31Å; N228-A231 WeakPolarHBondContact O-CB 3.42Å; N228-A231 PolarHBondContact O-N 3.43Å; A231-H281 PolarHBondContact O-NE2 2.97Å
232G67.1Low90.7Very high32 Ų3241.2 Ų41.233%0.3324%0.242SC..  trans-86.1134.1173.700000112.2I135 L230 N234I135-G232 WeakPolarHBondContact CD1-O 3.14Å; L230-G232 PolarHBondContact O-N 2.8Å; G232-N234 PolarHBondContact O-N 3.25Å
233T71.1Confident90.8Very high75 Ų7545.4 Ų45.446%0.4627%0.265SS..THydrogen-bonded Turntrans-68.48.3174.5580000114.6H281T233-H281 HydrophobicContact CG2-CB 4.32Å
234N82.5Confident90.9Very high156 Ų15646.1 Ų46.183%0.83427%0.267SS*.THydrogen-bonded Turntrans-80.1-26.4-177.1-69.7-41.1000113.6G232G232-N234 PolarHBondContact O-N 3.25Å
235D89.3Confident90.9Very high58 Ų5846 Ų4631%0.3127%0.267SS..  trans-100.5115.5171.9-173.5-10.8000108.1D237 P238 M284D235-D237 VanDerWaalsContact C-N 3.26Å; D235-D237 PolarHBondContact O-N 2.73Å; D235-D237 PolarHBondContact OD1-N 2.78Å; D235-P238 HydrophobicContact CB-CG 4.46Å; D235-P238 WeakPolarHBondContact O-CD 3.07Å; D235-M284 WeakPolarHBondContact O-CE 3.39Å
236P91.5Very high91Very high87 Ų8748.5 Ų48.557%0.56528%0.276SS*.SBendtrans-75.4-11.4-178.731.8-36.3000113.8Q287P236-Q287 PolarHBondContact O-NE2 2.94Å
237D95.6Very high91.2Very high33 Ų3348.6 Ų48.618%0.17628%0.277CS..SBendtrans-138.573.4172.2-175.111.6000110.9D235 L239 G240 Q241 F242 N243D235-D237 VanDerWaalsContact C-N 3.26Å; D235-D237 PolarHBondContact O-N 2.73Å; D235-D237 PolarHBondContact OD1-N 2.78Å; D237-L239 PolarHBondContact O-N 3.17Å; D237-G240 WeakPolarHBondContact O-CA 3.26Å; D237-G240 PolarHBondContact O-N 3.26Å; D237-G240 VanDerWaalsContact OD1-C 3.24Å; D237-G240 WeakPolarHBondContact OD2-CA 2.95Å; D237-Q241 PolarHBondContact OD1-N 2.72Å; D237-F242 HydrophobicContact CB-CD2 4.31Å; D237-F242 WeakPolarHBondContact OD1-CB 3.36Å; D237-F242 PolarHBondContact OD1-N 3.14Å; D237-N243 WeakPolarHBondContact OD2-CB 3.1Å; D237-N243 PolarHBondContact OD2-N 2.72Å
238P94.8Very high91.4Very high1 Ų147.2 Ų47.21%0.00626%0.263CS..G310 helixtrans-52.2125.8-177.3-28.737000112.3I135 I223 D235 G240 Q241 M284I135-P238 HydrophobicContact CB-CB 4.34Å; I135-P238 HydrophobicContact CD1-CB 4.2Å; I135-P238 HydrophobicContact CD1-CG 4.23Å; I223-P238 HydrophobicContact CB-CB 4.37Å; I223-P238 HydrophobicContact CD1-CB 3.99Å; I223-P238 WeakPolarHBondContact CD1-O 3.46Å; I223-P238 HydrophobicContact CG1-CB 4.13Å; D235-P238 HydrophobicContact CB-CG 4.46Å; D235-P238 WeakPolarHBondContact O-CD 3.07Å; P238-G240 PolarHBondContact O-N 3.01Å; P238-G240 VanDerWaalsContact O-N 3.08Å; P238-Q241 PolarHBondContact O-N 3.45Å; P238-M284 HydrophobicContact CG-CE 3.8Å; P238-M284 HydrophobicContact CG-SD 4.28Å
239L95.2Very high91.5Very high24 Ų2447.2 Ų47.213%0.12626%0.263CS..G310 helixtrans58.612.5-176.4-55.5176.1000115.2I135 P137 F196 I223 D237 Q241I135-L239 WeakPolarHBondContact O-CD2 3.45Å; I135-L239 WeakPolarHBondContact O-CG 3.43Å; P137-L239 HydrophobicContact CG-CD2 4.25Å; F196-L239 HydrophobicContact CE1-CB 4.01Å; I223-L239 HydrophobicContact CD1-CB 4.12Å; I223-L239 HydrophobicContact CD1-CD1 3.91Å; I223-L239 HydrophobicContact CD1-CG 4.15Å; I223-L239 HydrophobicContact CG2-CD1 4.15Å; D237-L239 PolarHBondContact O-N 3.17Å; L239-Q241 VanDerWaalsContact C-N 3.33Å
240G96Very high91.8Very high25 Ų2545.9 Ų45.926%0.25825%0.253SS..G310 helixtrans71.822.7-178.800000114.3D237 P238 N243 W244D237-G240 WeakPolarHBondContact O-CA 3.26Å; D237-G240 PolarHBondContact O-N 3.26Å; D237-G240 VanDerWaalsContact OD1-C 3.24Å; D237-G240 WeakPolarHBondContact OD2-CA 2.95Å; P238-G240 PolarHBondContact O-N 3.01Å; P238-G240 VanDerWaalsContact O-N 3.08Å; G240-N243 PolarHBondContact O-N 2.94Å; G240-W244 WeakPolarHBondContact O-CB 3.48Å; G240-W244 PolarHBondContact O-N 3.18Å
241Q97.7Very high91.9Very high0 Ų042.9 Ų42.90%024%0.237CC..Hα-helixtrans-64.9-40.8-173.6-172.8162.2-140.200113.1F196 L219 N220 I223 W224 D237 P238 L239 W244 L245F196-Q241 HydrophobicContact CD1-CB 3.97Å; F196-Q241 VanDerWaalsContact CD1-CD 3.42Å; F196-Q241 HydrophobicContact CD1-CG 3.75Å; F196-Q241 HydrophobicContact CD2-CG 4.36Å; F196-Q241 HydrophobicContact CE1-CB 3.45Å; F196-Q241 VanDerWaalsContact CE1-CB 3.45Å; F196-Q241 HydrophobicContact CE1-CG 3.75Å; F196-Q241 HydrophobicContact CE2-CB 4.47Å; F196-Q241 HydrophobicContact CE2-CG 4.37Å; F196-Q241 HydrophobicContact CG-CG 4.08Å; F196-Q241 VanDerWaalsContact CG-OE1 3.26Å; F196-Q241 HydrophobicContact CZ-CB 3.75Å; F196-Q241 HydrophobicContact CZ-CG 4.08Å; L219-Q241 HydrophobicContact CD2-CG 4.41Å; N220-Q241 PolarHBondContact O-NE2 3.2Å; I223-Q241 HydrophobicContact CD1-CB 4.42Å; W224-Q241 HydrophobicContact CH2-CG 3.84Å; W224-Q241 HydrophobicContact CZ2-CB 3.8Å; W224-Q241 HydrophobicContact CZ2-CG 3.6Å; D237-Q241 PolarHBondContact OD1-N 2.72Å; P238-Q241 PolarHBondContact O-N 3.45Å; L239-Q241 VanDerWaalsContact C-N 3.33Å; Q241-W244 HydrophobicContact CG-CE3 4.29Å; Q241-L245 WeakPolarHBondContact O-CB 3.33Å; Q241-L245 PolarHBondContact O-N 2.81Å
242F97.8Very high92.5Very high2 Ų242.4 Ų42.41%0.00923%0.233CC..Hα-helixtrans-68.6-41.3175.6-65.4-46.7000112W224 D237 L245 R246 M284 Q287 L288 I291W224-F242 HydrophobicContact CD2-CE1 4.45Å; W224-F242 HydrophobicContact CD2-CZ 4.2Å; W224-F242 AromaticContact CE2-CE1 3.71Å; W224-F242 AromaticContact CE2-CZ 3.55Å; W224-F242 AromaticContact CH2-CD1 3.95Å; W224-F242 HydrophobicContact CH2-CD1 3.95Å; W224-F242 AromaticContact CH2-CE1 3.48Å; W224-F242 HydrophobicContact CH2-CE1 3.48Å; W224-F242 VanDerWaalsContact CH2-CE1 3.48Å; W224-F242 HydrophobicContact CH2-CZ 4.18Å; W224-F242 AromaticContact CZ2-CD1 3.54Å; W224-F242 HydrophobicContact CZ2-CD1 3.54Å; W224-F242 AromaticContact CZ2-CE1 3.15Å; W224-F242 HydrophobicContact CZ2-CE1 3.15Å; W224-F242 HydrophobicContact CZ2-CE2 4.2Å; W224-F242 HydrophobicContact CZ2-CG 4.21Å; W224-F242 AromaticContact CZ2-CZ 3.53Å; W224-F242 HydrophobicContact CZ2-CZ 3.53Å; W224-F242 HydrophobicContact CZ3-CE1 4.24Å; W224-F242 AromaticContact NE1-CE2 3.91Å; W224-F242 AromaticContact NE1-CZ 3.76Å; D237-F242 HydrophobicContact CB-CD2 4.31Å; D237-F242 WeakPolarHBondContact OD1-CB 3.36Å; D237-F242 PolarHBondContact OD1-N 3.14Å; F242-L245 PolarHBondContact O-N 2.99Å; F242-R246 WeakPolarHBondContact O-CB 3.5Å; F242-R246 VanDerWaalsContact O-CG 3.25Å; F242-R246 WeakPolarHBondContact O-CG 3.45Å; F242-R246 PolarHBondContact O-N 3.28Å; F242-M284 HydrophobicContact CE2-SD 3.69Å; F242-M284 HydrophobicContact CZ-CB 4.27Å; F242-M284 WeakPolarHBondContact CZ-O 3.44Å; F242-M284 HydrophobicContact CZ-SD 4.24Å; F242-Q287 HydrophobicContact CD2-CB 4.28Å; F242-Q287 HydrophobicContact CE1-CB 4.35Å; F242-Q287 HydrophobicContact CE2-CB 3.78Å; F242-Q287 HydrophobicContact CE2-CG 4.45Å; F242-Q287 HydrophobicContact CZ-CB 3.83Å; F242-L288 HydrophobicContact CE1-CB 4Å; F242-L288 HydrophobicContact CE1-CD1 4.44Å; F242-L288 HydrophobicContact CZ-CB 4.49Å; F242-I291 HydrophobicContact CB-CD1 3.78Å; F242-I291 HydrophobicContact CD1-CD1 3.4Å; F242-I291 VanDerWaalsContact CD1-CD1 3.4Å; F242-I291 HydrophobicContact CE1-CD1 4.18Å; F242-I291 HydrophobicContact CG-CD1 3.79Å
243N97.3Very high93.8Very high89 Ų8946.1 Ų46.148%0.47624%0.237SC..Hα-helixtrans-60.3-46.5174.2-179.920.3000111.4D237 G240 R246 Q247D237-N243 WeakPolarHBondContact OD2-CB 3.1Å; D237-N243 PolarHBondContact OD2-N 2.72Å; G240-N243 PolarHBondContact O-N 2.94Å; N243-R246 PolarHBondContact O-N 2.75Å; N243-Q247 WeakPolarHBondContact O-CG 3.46Å; N243-Q247 PolarHBondContact O-N 3.07Å; N243-Q247 PolarHBondContact O-NE2 3.13Å; N243-Q247 PolarHBondContact OD1-NE2 2.64Å
244W97.5Very high94.8Very high16 Ų1650.6 Ų50.66%0.06125%0.25CS..Hα-helixtrans-62.4-42.9174.4166.573.3000112.7P187 F196 F197 I217 L219 G240 Q241 Q247 T248P187-W244 PolarHBondContact O-NE1 3.34Å; F196-W244 HydrophobicContact CB-CZ3 4.32Å; F196-W244 AromaticContact CD2-CD2 3.76Å; F196-W244 HydrophobicContact CD2-CD2 3.76Å; F196-W244 AromaticContact CD2-CE3 3.34Å; F196-W244 HydrophobicContact CD2-CE3 3.34Å; F196-W244 AromaticContact CD2-CH2 3.87Å; F196-W244 HydrophobicContact CD2-CH2 3.87Å; F196-W244 HydrophobicContact CD2-CZ2 4.27Å; F196-W244 AromaticContact CD2-CZ3 3.39Å; F196-W244 HydrophobicContact CD2-CZ3 3.39Å; F196-W244 HydrophobicContact CE2-CB 4.13Å; F196-W244 AromaticContact CE2-CD2 3.53Å; F196-W244 HydrophobicContact CE2-CD2 3.53Å; F196-W244 AromaticContact CE2-CE3 3.4Å; F196-W244 HydrophobicContact CE2-CE3 3.4Å; F196-W244 AromaticContact CE2-CG 3.85Å; F196-W244 HydrophobicContact CE2-CG 3.85Å; F196-W244 AromaticContact CE2-CZ3 3.98Å; F196-W244 HydrophobicContact CE2-CZ3 3.98Å; F196-W244 HydrophobicContact CG-CE3 4.33Å; F196-W244 HydrophobicContact CG-CZ3 4.13Å; F196-W244 HydrophobicContact CZ-CE3 4.4Å; F197-W244 WeakPolarHBondContact O-CH2 3.46Å; I217-W244 HydrophobicContact CG2-CH2 3.85Å; I217-W244 HydrophobicContact CG2-CZ3 4.16Å; L219-W244 HydrophobicContact CD2-CZ3 3.81Å; G240-W244 WeakPolarHBondContact O-CB 3.48Å; G240-W244 PolarHBondContact O-N 3.18Å; Q241-W244 HydrophobicContact CG-CE3 4.29Å; W244-Q247 PolarHBondContact O-N 3.27Å; W244-T248 PolarHBondContact O-N 3.13Å; W244-T248 PolarHBondContact O-OG1 2.89Å
245L98.1Very high95.1Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-63.4-44.7177.3179.757.4000111.5I217 L219 Q241 F242 Q247 T248 F249 L261 L288 I291I217-L245 HydrophobicContact CD1-CD1 3.72Å; I217-L245 HydrophobicContact CG2-CD1 4.25Å; L219-L245 HydrophobicContact CD1-CD2 4.31Å; L219-L245 HydrophobicContact CD2-CD1 4.32Å; L219-L245 HydrophobicContact CD2-CD2 4.25Å; Q241-L245 WeakPolarHBondContact O-CB 3.33Å; Q241-L245 PolarHBondContact O-N 2.81Å; F242-L245 PolarHBondContact O-N 2.99Å; L245-Q247 VanDerWaalsContact C-N 3.34Å; L245-Q247 PolarHBondContact O-N 2.81Å; L245-T248 WeakPolarHBondContact O-CB 3.41Å; L245-T248 PolarHBondContact O-N 2.97Å; L245-T248 VanDerWaalsContact O-N 3.12Å; L245-F249 HydrophobicContact CD1-CD2 3.92Å; L245-F249 HydrophobicContact CD1-CE2 3.5Å; L245-F249 VanDerWaalsContact CD1-CE2 3.5Å; L245-F249 HydrophobicContact CD1-CZ 4.27Å; L245-F249 HydrophobicContact CD2-CE2 4.3Å; L245-F249 HydrophobicContact CG-CD2 4Å; L245-F249 HydrophobicContact CG-CE2 3.72Å; L245-F249 WeakPolarHBondContact O-CD2 3.45Å; L245-F249 PolarHBondContact O-N 2.67Å; L245-L261 HydrophobicContact CD1-CD1 3.96Å; L245-L261 HydrophobicContact CD2-CD1 4.29Å; L245-L288 HydrophobicContact CD2-CD1 4.18Å; L245-I291 HydrophobicContact CD2-CG2 3.92Å; L245-I291 HydrophobicContact CG-CG2 4.11Å
246R97.9Very high95.2Very high83 Ų8351.2 Ų51.231%0.31324%0.241SC..Hα-helixtrans-59.7-41.7173.9-74.4173.4174.6-75.9-7.1111.5F242 N243 Q250 I291 E294F242-R246 WeakPolarHBondContact O-CB 3.5Å; F242-R246 VanDerWaalsContact O-CG 3.25Å; F242-R246 WeakPolarHBondContact O-CG 3.45Å; F242-R246 PolarHBondContact O-N 3.28Å; N243-R246 PolarHBondContact O-N 2.75Å; R246-Q250 VanDerWaalsContact O-CG 3.27Å; R246-Q250 WeakPolarHBondContact O-CG 3.38Å; R246-Q250 PolarHBondContact O-N 2.74Å; R246-I291 HydrophobicContact CG-CD1 4.24Å; R246-I291 HydrophobicContact CG-CG1 4.18Å; R246-I291 VanDerWaalsContact CZ-CG1 3.5Å; R246-E294 IonicContact CZ-OE2 2.77Å; R246-E294 IonicContact NH1-OE1 3.6Å; R246-E294 IonicContact NH1-OE2 2.89Å; R246-E294 PolarHBondContact NH1-OE2 2.73Å; R246-E294 IonicContact NH2-OE1 3.13Å; R246-E294 PolarHBondContact NH2-OE1 3.32Å; R246-E294 IonicContact NH2-OE2 2.72Å; R246-E294 PolarHBondContact NH2-OE2 3.49Å
247Q96.7Very high95.2Very high83 Ų8347.1 Ų47.139%0.38821%0.214SC..Hα-helixtrans-64.4-38.2173.4-71.6171.354.700112.4P187 N243 W244 L245 Q250 W251P187-Q247 HydrophobicContact CB-CB 4.02Å; P187-Q247 HydrophobicContact CG-CB 4.24Å; N243-Q247 WeakPolarHBondContact O-CG 3.46Å; N243-Q247 PolarHBondContact O-N 3.07Å; N243-Q247 PolarHBondContact O-NE2 3.13Å; N243-Q247 PolarHBondContact OD1-NE2 2.64Å; W244-Q247 PolarHBondContact O-N 3.27Å; L245-Q247 VanDerWaalsContact C-N 3.34Å; L245-Q247 PolarHBondContact O-N 2.81Å; Q247-Q250 PolarHBondContact O-N 2.9Å; Q247-W251 PolarHBondContact O-N 2.9Å
248T95.6Very high95.2Very high0 Ų047.8 Ų47.80%022%0.215CC..Hα-helixtrans-65.1-43.9178-55.40000111.4I215 I217 W244 L245 W251 A252I215-T248 HydrophobicContact CG2-CG2 4.03Å; I217-T248 HydrophobicContact CD1-CG2 3.67Å; I217-T248 HydrophobicContact CG1-CG2 4.27Å; W244-T248 PolarHBondContact O-N 3.13Å; W244-T248 PolarHBondContact O-OG1 2.89Å; L245-T248 WeakPolarHBondContact O-CB 3.41Å; L245-T248 PolarHBondContact O-N 2.97Å; L245-T248 VanDerWaalsContact O-N 3.12Å; T248-W251 PolarHBondContact O-N 3.12Å; T248-A252 PolarHBondContact O-N 2.79Å
249F97.2Very high95.3Very high0 Ų047.7 Ų47.70%022%0.215CC..Hα-helixtrans-64.2-38.9171.6-76.6-63000113L245 W251 A252 R253 V259 L261 I291 L292 N295 L298 L299L245-F249 HydrophobicContact CD1-CD2 3.92Å; L245-F249 HydrophobicContact CD1-CE2 3.5Å; L245-F249 VanDerWaalsContact CD1-CE2 3.5Å; L245-F249 HydrophobicContact CD1-CZ 4.27Å; L245-F249 HydrophobicContact CD2-CE2 4.3Å; L245-F249 HydrophobicContact CG-CD2 4Å; L245-F249 HydrophobicContact CG-CE2 3.72Å; L245-F249 WeakPolarHBondContact O-CD2 3.45Å; L245-F249 PolarHBondContact O-N 2.67Å; F249-W251 VanDerWaalsContact C-N 3.31Å; F249-W251 PolarHBondContact O-N 3.22Å; F249-A252 WeakPolarHBondContact O-CB 3.26Å; F249-A252 PolarHBondContact O-N 3.48Å; F249-R253 WeakPolarHBondContact O-CB 3.45Å; F249-R253 PolarHBondContact O-N 3.15Å; F249-V259 HydrophobicContact CD1-CB 4.46Å; F249-V259 HydrophobicContact CD1-CG2 3.91Å; F249-V259 HydrophobicContact CE1-CB 3.91Å; F249-V259 HydrophobicContact CE1-CG1 3.79Å; F249-V259 HydrophobicContact CE1-CG2 3.87Å; F249-V259 HydrophobicContact CZ-CG1 4.23Å; F249-L261 HydrophobicContact CE2-CD1 4.45Å; F249-L261 HydrophobicContact CZ-CD1 4.13Å; F249-I291 HydrophobicContact CD2-CG2 4.05Å; F249-I291 HydrophobicContact CE2-CG2 3.81Å; F249-L292 HydrophobicContact CZ-CD2 4.49Å; F249-N295 HydrophobicContact CB-CB 4.14Å; F249-N295 HydrophobicContact CD1-CB 3.58Å; F249-N295 HydrophobicContact CD2-CB 4.07Å; F249-N295 HydrophobicContact CE1-CB 3.87Å; F249-N295 HydrophobicContact CE2-CB 4.33Å; F249-N295 HydrophobicContact CG-CB 3.68Å; F249-N295 HydrophobicContact CZ-CB 4.24Å; F249-L298 HydrophobicContact CB-CD1 4.19Å; F249-L298 HydrophobicContact CD1-CB 4.23Å; F249-L298 HydrophobicContact CD1-CD1 3.97Å; F249-L298 WeakPolarHBondContact O-CD1 2.98Å; F249-L299 HydrophobicContact CE1-CD2 3.91Å; F249-L299 HydrophobicContact CE1-CG 4.42Å; F249-L299 HydrophobicContact CZ-CD2 3.93Å
250Q95.9Very high95.4Very high111 Ų11146.6 Ų46.652%0.51921%0.209SC..Hα-helixtrans-62.1-37.7174-73.417218.900112.4R246 Q247 K254R246-Q250 VanDerWaalsContact O-CG 3.27Å; R246-Q250 WeakPolarHBondContact O-CG 3.38Å; R246-Q250 PolarHBondContact O-N 2.74Å; Q247-Q250 PolarHBondContact O-N 2.9Å; Q250-K254 VanDerWaalsContact O-CG 3.29Å; Q250-K254 WeakPolarHBondContact O-CG 3.27Å; Q250-K254 PolarHBondContact O-N 2.96Å
251W93Very high95.5Very high16 Ų1645.4 Ų45.46%0.06120%0.197CC..Hα-helixtrans-66.6-45.2174.6-170.997.2000111.4F178 F186 P187 Y200 I215 Q247 T248 F249 R253 K254 R255F178-W251 HydrophobicContact CE1-CZ2 4.41Å; F186-W251 HydrophobicContact CB-CZ2 4.25Å; F186-W251 AromaticContact CD2-CD2 3.65Å; F186-W251 HydrophobicContact CD2-CD2 3.65Å; F186-W251 AromaticContact CD2-CE2 3.62Å; F186-W251 AromaticContact CD2-CE3 3.77Å; F186-W251 HydrophobicContact CD2-CE3 3.77Å; F186-W251 HydrophobicContact CD2-CG 4.25Å; F186-W251 AromaticContact CD2-CH2 3.84Å; F186-W251 HydrophobicContact CD2-CH2 3.84Å; F186-W251 AromaticContact CD2-CZ2 3.72Å; F186-W251 HydrophobicContact CD2-CZ2 3.72Å; F186-W251 AromaticContact CD2-CZ3 3.87Å; F186-W251 HydrophobicContact CD2-CZ3 3.87Å; F186-W251 HydrophobicContact CE2-CD2 4.27Å; F186-W251 AromaticContact CE2-CE3 3.96Å; F186-W251 HydrophobicContact CE2-CE3 3.96Å; F186-W251 HydrophobicContact CE2-CH2 4.3Å; F186-W251 AromaticContact CE2-CZ3 3.98Å; F186-W251 HydrophobicContact CE2-CZ3 3.98Å; F186-W251 HydrophobicContact CG-CZ2 4.42Å; P187-W251 HydrophobicContact CG-CB 4.45Å; Y200-W251 HydrophobicContact CD1-CH2 4.34Å; Y200-W251 AromaticContact CD2-CH2 3.82Å; Y200-W251 HydrophobicContact CD2-CH2 3.82Å; Y200-W251 AromaticContact CD2-CZ3 3.81Å; Y200-W251 HydrophobicContact CD2-CZ3 3.81Å; Y200-W251 HydrophobicContact CE1-CH2 4.15Å; Y200-W251 AromaticContact CE2-CH2 3.59Å; Y200-W251 HydrophobicContact CE2-CH2 3.59Å; Y200-W251 AromaticContact CE2-CZ3 3.65Å; Y200-W251 HydrophobicContact CE2-CZ3 3.65Å; Y200-W251 HydrophobicContact CG-CH2 4.19Å; Y200-W251 AromaticContact CZ-CH2 3.8Å; I215-W251 HydrophobicContact CD1-CE3 3.72Å; I215-W251 HydrophobicContact CD1-CZ3 3.79Å; I215-W251 HydrophobicContact CG1-CE3 4.44Å; I215-W251 HydrophobicContact CG1-CZ3 4.06Å; Q247-W251 PolarHBondContact O-N 2.9Å; T248-W251 PolarHBondContact O-N 3.12Å; F249-W251 VanDerWaalsContact C-N 3.31Å; F249-W251 PolarHBondContact O-N 3.22Å; W251-R253 PolarHBondContact O-N 2.85Å; W251-K254 PolarHBondContact O-N 2.93Å; W251-R255 VanDerWaalsContact CE2-CD 3.47Å; W251-R255 VanDerWaalsContact CZ3-CD 3.49Å; W251-R255 PolarHBondContact O-N 3.31Å
252A93.9Very high95.6Very high0 Ų045.4 Ų45.40%020%0.197CC..Hα-helixtrans-56.6-49.7174.300000111.9I215 T248 F249 K254 R255 K256 D257 V259 L298I215-A252 HydrophobicContact CD1-CB 3.49Å; I215-A252 VanDerWaalsContact CD1-CB 3.49Å; T248-A252 PolarHBondContact O-N 2.79Å; F249-A252 WeakPolarHBondContact O-CB 3.26Å; F249-A252 PolarHBondContact O-N 3.48Å; A252-K254 PolarHBondContact O-N 3.48Å; A252-R255 CarbonylContact O-C 3.56Å; A252-R255 PolarHBondContact O-N 3.11Å; A252-K256 PolarHBondContact O-N 3.14Å; A252-D257 PolarHBondContact O-N 3.33Å; A252-V259 HydrophobicContact CB-CG2 3.86Å; A252-L298 HydrophobicContact CB-CD1 4.35Å
253R94.6Very high95.6Very high110 Ų11045.4 Ų45.442%0.41520%0.197SC..Hα-helixtrans-62.5-36.9-178.6-162.3169.7-89.9151.3-8.4113.1F249 W251 R255 E294 N295 D297 L298F249-R253 WeakPolarHBondContact O-CB 3.45Å; F249-R253 PolarHBondContact O-N 3.15Å; W251-R253 PolarHBondContact O-N 2.85Å; R253-R255 PolarHBondContact O-N 3.04Å; R253-E294 PolarHBondContact NH2-O 3.43Å; R253-N295 PolarHBondContact NH1-OD1 2.97Å; R253-D297 IonicContact CZ-OD1 3.64Å; R253-D297 IonicContact CZ-OD2 3.26Å; R253-D297 IonicContact NE-OD1 3.61Å; R253-D297 IonicContact NE-OD2 3.95Å; R253-D297 PolarHBondContact NE-OD2 2.9Å; R253-D297 VanDerWaalsContact NE-OD2 3.12Å; R253-D297 VanDerWaalsContact NH2-CG 3.31Å; R253-D297 IonicContact NH2-OD1 2.74Å; R253-D297 PolarHBondContact NH2-OD1 2.82Å; R253-D297 IonicContact NH2-OD2 3.86Å; R253-D297 PolarHBondContact NH2-OD2 2.82Å; R253-L298 HydrophobicContact CB-CD1 3.74Å; R253-L298 HydrophobicContact CB-CD2 4.03Å; R253-L298 HydrophobicContact CG-CD1 4.32Å; R253-L298 HydrophobicContact CG-CD2 4.16Å
254K92.7Very high95.7Very high169 Ų16941.1 Ų41.174%0.73517%0.174SC*.Hα-helixtrans-60.7-30174-75.5168.6-177.51770112.7Q250 W251 A252Q250-K254 VanDerWaalsContact O-CG 3.29Å; Q250-K254 WeakPolarHBondContact O-CG 3.27Å; Q250-K254 PolarHBondContact O-N 2.96Å; W251-K254 PolarHBondContact O-N 2.93Å; A252-K254 PolarHBondContact O-N 3.48Å
255R89.4Confident95.7Very high66 Ų6640.4 Ų40.425%0.24917%0.172CC..Hα-helixtrans-105-15-172.9-62.7174.858.980.28.6114.3N182 Y200 W251 A252 R253 D257N182-R255 PolarHBondContact OD1-NH1 3.04Å; Y200-R255 PolarHBondContact OH-NH2 3.02Å; W251-R255 VanDerWaalsContact CE2-CD 3.47Å; W251-R255 VanDerWaalsContact CZ3-CD 3.49Å; W251-R255 PolarHBondContact O-N 3.31Å; A252-R255 CarbonylContact O-C 3.56Å; A252-R255 PolarHBondContact O-N 3.11Å; R253-R255 PolarHBondContact O-N 3.04Å; R255-D257 HydrophobicContact CB-CB 4.38Å; R255-D257 VanDerWaalsContact CB-OD2 3.26Å; R255-D257 WeakPolarHBondContact CB-OD2 3.48Å; R255-D257 WeakPolarHBondContact CD-OD2 3.35Å; R255-D257 IonicContact CZ-OD2 2.7Å; R255-D257 IonicContact NE-OD2 3.99Å; R255-D257 PolarHBondContact NE-OD2 2.88Å; R255-D257 IonicContact NH2-OD2 2.79Å
256K90.1Very high95.7Very high160 Ų16040.5 Ų40.570%0.69617%0.172SC*.THydrogen-bonded Turntrans6326.9-168.7-47.6173.3-174.4174.20112.9S212 A252S212-K256 WeakPolarHBondContact CB-O 3.32Å; S212-K256 PolarHBondContact OG-O 3.39Å; A252-K256 PolarHBondContact O-N 3.14Å
257D91.5Very high95.7Very high1 Ų136.5 Ų36.51%0.00516%0.157CC..  trans-79.9151170.4-66.7-37.3000109.7Y200 N213 I215 A252 R255Y200-D257 PolarHBondContact OH-OD2 2.79Å; N213-D257 HydrophobicContact CB-CB 4.41Å; N213-D257 VanDerWaalsContact CB-OD1 3.22Å; N213-D257 WeakPolarHBondContact CB-OD1 3.44Å; N213-D257 PolarHBondContact N-OD1 2.92Å; N213-D257 PolarHBondContact ND2-OD1 3.12Å; I215-D257 HydrophobicContact CD1-CB 4.38Å; A252-D257 PolarHBondContact O-N 3.33Å; R255-D257 HydrophobicContact CB-CB 4.38Å; R255-D257 VanDerWaalsContact CB-OD2 3.26Å; R255-D257 WeakPolarHBondContact CB-OD2 3.48Å; R255-D257 WeakPolarHBondContact CD-OD2 3.35Å; R255-D257 IonicContact CZ-OD2 2.7Å; R255-D257 IonicContact NE-OD2 3.99Å; R255-D257 PolarHBondContact NE-OD2 2.88Å; R255-D257 IonicContact NH2-OD2 2.79Å
258K95.6Very high95.7Very high47 Ų4732.6 Ų32.620%0.20414%0.139CC..EExtended strand (participates in β ladder)trans-97.9159.6-177.4-82-76.1-152.1177.20111N213 L214 I215 D297 L298 L299 M357N213-K258 PolarHBondContact O-N 3.39Å; L214-K258 HydrophobicContact CD1-CB 4.18Å; I215-K258 PolarHBondContact N-O 3.42Å; K258-D297 PolarHBondContact NZ-O 3.4Å; K258-L298 CarbonylContact C-O 3.58Å; K258-L298 WeakPolarHBondContact CA-O 3.27Å; K258-L298 WeakPolarHBondContact CD-O 3.44Å; K258-L299 PolarHBondContact NZ-O 2.97Å; K258-M357 HydrophobicContact CB-CB 3.85Å; K258-M357 HydrophobicContact CB-CG 3.94Å; K258-M357 HydrophobicContact CG-CB 3.94Å; K258-M357 HydrophobicContact CG-CG 4.27Å
259V97.2Very high95.7Very high0 Ų032.6 Ų32.60%014%0.139CC..EExtended strand (participates in β ladder)trans-123.9123.8-174.5178.30000110.6I215 I217 F249 A252 L261 L298 L299 M300I215-V259 HydrophobicContact CB-CG2 4.38Å; I215-V259 HydrophobicContact CD1-CG2 4.18Å; I215-V259 WeakPolarHBondContact O-CA 3.24Å; I217-V259 HydrophobicContact CD1-CG1 3.48Å; I217-V259 VanDerWaalsContact CD1-CG1 3.48Å; I217-V259 HydrophobicContact CG1-CG1 3.99Å; F249-V259 HydrophobicContact CD1-CB 4.46Å; F249-V259 HydrophobicContact CD1-CG2 3.91Å; F249-V259 HydrophobicContact CE1-CB 3.91Å; F249-V259 HydrophobicContact CE1-CG1 3.79Å; F249-V259 HydrophobicContact CE1-CG2 3.87Å; F249-V259 HydrophobicContact CZ-CG1 4.23Å; A252-V259 HydrophobicContact CB-CG2 3.86Å; V259-L261 HydrophobicContact CG1-CB 4.38Å; V259-L298 HydrophobicContact CG2-CB 4.48Å; V259-L298 PolarHBondContact N-O 2.85Å; V259-L299 HydrophobicContact CB-CD2 4.4Å; V259-L299 HydrophobicContact CG1-CD2 4.28Å; V259-L299 CarbonylContact O-C 3.58Å; V259-L299 WeakPolarHBondContact O-CA 3.44Å; V259-M300 PolarHBondContact O-N 3.24Å
260L98.1Very high95.6Very high0 Ų032.8 Ų32.80%014%0.14CC..EExtended strand (participates in β ladder)trans-102.4113.1163.3-178.757.5000108.1F27 F77 I79 L214 I215 L216 I217 M300 T301 L303F27-L260 HydrophobicContact CE2-CD2 4.29Å; F27-L260 HydrophobicContact CZ-CD2 4.11Å; F77-L260 HydrophobicContact CE2-CD2 3.59Å; F77-L260 HydrophobicContact CZ-CD2 3.66Å; I79-L260 HydrophobicContact CD1-CD2 4.34Å; L214-L260 HydrophobicContact CD1-CB 4.05Å; L214-L260 HydrophobicContact CD2-CB 4.36Å; L214-L260 HydrophobicContact CG-CB 4.38Å; I215-L260 PolarHBondContact O-N 2.81Å; L216-L260 HydrophobicContact CD2-CB 3.89Å; L216-L260 HydrophobicContact CD2-CD2 3.9Å; L216-L260 HydrophobicContact CD2-CG 4.3Å; I217-L260 PolarHBondContact N-O 2.79Å; L260-M300 HydrophobicContact CB-SD 4.41Å; L260-M300 HydrophobicContact CD1-CG 4.47Å; L260-T301 HydrophobicContact CD1-CG2 3.34Å; L260-L303 HydrophobicContact CD1-CD1 3.81Å; L260-L303 HydrophobicContact CD1-CG 3.93Å; L260-L303 HydrophobicContact CD2-CD1 4.15Å; L260-L303 HydrophobicContact CG-CD1 4.24Å
261L98.6Very high95.5Very high0 Ų027.5 Ų27.50%012%0.116CC..EExtended strand (participates in β ladder)trans-102.6128.7-175.7-178.7144.5000110.1L219 L245 F249 V259 L292 L299 T301 G302 L303 F304L219-L261 HydrophobicContact CD1-CD1 4.04Å; L219-L261 HydrophobicContact CD1-CD2 3.89Å; L219-L261 HydrophobicContact CD1-CG 4.05Å; L219-L261 HydrophobicContact CG-CG 4.35Å; L245-L261 HydrophobicContact CD1-CD1 3.96Å; L245-L261 HydrophobicContact CD2-CD1 4.29Å; F249-L261 HydrophobicContact CE2-CD1 4.45Å; F249-L261 HydrophobicContact CZ-CD1 4.13Å; V259-L261 HydrophobicContact CG1-CB 4.38Å; L261-L292 HydrophobicContact CD1-CD2 3.76Å; L261-L292 HydrophobicContact CD2-CD2 4.25Å; L261-L299 HydrophobicContact CB-CD2 4.29Å; L261-T301 PolarHBondContact N-O 3.01Å; L261-G302 CarbonylContact O-C 3.49Å; L261-G302 WeakPolarHBondContact O-CA 3.28Å; L261-L303 PolarHBondContact O-N 3.24Å; L261-F304 HydrophobicContact CD2-CE1 4.34Å; L261-F304 HydrophobicContact CD2-CZ 3.87Å
262V98.8Very high95.4Very high0 Ų027.1 Ų27.10%012%0.115CC..EExtended strand (participates in β ladder)trans-126.4133.1180-162.90000109.8I79 L119 V121 I217 L219 L303I79-V262 HydrophobicContact CD1-CG2 4.18Å; I79-V262 HydrophobicContact CG2-CB 4.46Å; I79-V262 HydrophobicContact CG2-CG1 3.69Å; I79-V262 HydrophobicContact CG2-CG2 4Å; L119-V262 HydrophobicContact CD2-CB 4.1Å; L119-V262 HydrophobicContact CD2-CG2 3.68Å; V121-V262 HydrophobicContact CG2-CB 3.99Å; V121-V262 HydrophobicContact CG2-CG1 3.71Å; I217-V262 PolarHBondContact O-N 2.8Å; L219-V262 PolarHBondContact N-O 2.63Å; V262-L303 VanDerWaalsContact CA-O 3.31Å; V262-L303 WeakPolarHBondContact CA-O 3.13Å; V262-L303 HydrophobicContact CG1-CB 4.13Å; V262-L303 HydrophobicContact CG2-CB 4.22Å; V262-L303 HydrophobicContact CG2-CD1 4.34Å
263S98.7Very high95.3Very high2 Ų227.8 Ų27.81%0.01412%0.119CC..  trans-134.1174159.9-153.40000109.2L219 G221 L303 F304L219-S263 PolarHBondContact O-OG 3.31Å; G221-S263 PolarHBondContact N-OG 3.44Å; S263-L303 PolarHBondContact N-O 3.31Å; S263-L303 VanDerWaalsContact N-O 3.1Å; S263-F304 WeakPolarHBondContact O-CA 3.43Å
264H98.6Very high95.2Very high0 Ų022.6 Ų22.60%010%0.1CC..SBendtrans-76.3-57.7168.6-175.471.2000109.8D32 S81 D83 G123 N124 A305 H306D32-H264 IonicContact OD1-CE1 3.63Å; D32-H264 IonicContact OD2-CE1 3.94Å; D32-H264 PolarHBondContact OD2-CE1 2.82Å; D32-H264 VanDerWaalsContact OD2-CE1 3.26Å; D32-H264 IonicContact OD2-ND1 3.12Å; S81-H264 PolarHBondContact O-ND1 2.82Å; D83-H264 IonicContact OD1-CE1 3.19Å; D83-H264 IonicContact OD1-NE2 3.84Å; D83-H264 IonicContact OD2-CE1 3.58Å; D83-H264 IonicContact OD2-NE2 2.78Å; G123-H264 VanDerWaalsContact CA-CG 3.47Å; N124-H264 PolarHBondContact OD1-CD2 3.1Å; N124-H264 PolarHBondContact OD1-NE2 3.21Å; H264-A305 CarbonylContact O-C 3.6Å; H264-A305 PolarHBondContact O-N 3.03Å; H264-H306 AromaticContact CD2-CG 3.83Å; H264-H306 AromaticContact CD2-ND1 3.48Å; H264-H306 PolarHBondContact CD2-ND1 2.87Å; H264-H306 WeakPolarHBondContact NE2-CB 3.24Å; H264-H306 AromaticContact NE2-CG 3.56Å; H264-H306 AromaticContact NE2-ND1 3.05Å; H264-H306 PolarHBondContact NE2-ND1 3.29Å
265F97.7Very high95Very high1 Ų117.2 Ų17.20%0.0048%0.077CC..SBendtrans-78.7128.4-175.8-50.1-86.8000113.5N124 L222 Y225 F279 L280 F304 H306N124-F265 HydrophobicContact CB-CE1 4.34Å; N124-F265 HydrophobicContact CB-CZ 3.83Å; N124-F265 VanDerWaalsContact OD1-CE1 3.23Å; N124-F265 WeakPolarHBondContact OD1-CE1 3.41Å; N124-F265 VanDerWaalsContact OD1-CZ 3.23Å; N124-F265 WeakPolarHBondContact OD1-CZ 3.34Å; L222-F265 HydrophobicContact CB-CE2 4.14Å; L222-F265 HydrophobicContact CD1-CE2 4.14Å; L222-F265 HydrophobicContact CD1-CZ 3.83Å; Y225-F265 AromaticContact CD1-CE1 3.88Å; Y225-F265 HydrophobicContact CD1-CE1 3.88Å; Y225-F265 HydrophobicContact CD1-CZ 4.07Å; Y225-F265 AromaticContact CD2-CD1 3.31Å; Y225-F265 HydrophobicContact CD2-CD1 3.31Å; Y225-F265 AromaticContact CD2-CE1 3.22Å; Y225-F265 HydrophobicContact CD2-CE1 3.22Å; Y225-F265 HydrophobicContact CD2-CG 4.18Å; Y225-F265 HydrophobicContact CD2-CZ 4.04Å; Y225-F265 HydrophobicContact CE1-CE1 4.11Å; Y225-F265 AromaticContact CE2-CD1 3.72Å; Y225-F265 HydrophobicContact CE2-CD1 3.72Å; Y225-F265 AromaticContact CE2-CE1 3.51Å; Y225-F265 HydrophobicContact CE2-CE1 3.51Å; Y225-F265 AromaticContact CG-CD1 3.9Å; Y225-F265 HydrophobicContact CG-CD1 3.9Å; Y225-F265 AromaticContact CG-CE1 3.44Å; Y225-F265 HydrophobicContact CG-CE1 3.44Å; Y225-F265 VanDerWaalsContact CG-CE1 3.44Å; Y225-F265 HydrophobicContact CG-CE2 4.48Å; Y225-F265 AromaticContact CG-CZ 3.78Å; Y225-F265 HydrophobicContact CG-CZ 3.78Å; Y225-F265 AromaticContact CZ-CE1 3.94Å; F265-F279 HydrophobicContact CB-CB 4.38Å; F265-F279 HydrophobicContact CD1-CB 4.44Å; F265-L280 HydrophobicContact CB-CD2 3.79Å; F265-L280 HydrophobicContact CG-CD2 4.37Å; F265-F304 WeakPolarHBondContact O-CD1 3.26Å; F265-F304 WeakPolarHBondContact O-CE1 3.09Å; F265-H306 HydrophobicContact CD1-CB 4.38Å; F265-H306 AromaticContact CD1-CD2 3.8Å; F265-H306 AromaticContact CD1-CE1 3.85Å; F265-H306 AromaticContact CD1-CG 3.74Å; F265-H306 AromaticContact CD1-ND1 3.77Å; F265-H306 AromaticContact CD1-NE2 3.84Å; F265-H306 AromaticContact CE1-CE1 3.48Å; F265-H306 VanDerWaalsContact CE1-CE1 3.48Å; F265-H306 WeakPolarHBondContact CE1-CE1 3.29Å; F265-H306 AromaticContact CE1-ND1 3.53Å; F265-H306 AromaticContact CE1-NE2 3.89Å
266P97.4Very high94.8Very high1 Ų122.1 Ų22.11%0.00610%0.096CC..PPolyproline II helixtrans-76.2151.1173.929.6-31.6000112.7F279 F304 E307 L328P266-F279 HydrophobicContact CG-CD2 3.84Å; P266-F279 HydrophobicContact CG-CE2 3.9Å; P266-F304 HydrophobicContact CB-CB 3.84Å; P266-F304 HydrophobicContact CB-CD1 4.46Å; P266-F304 HydrophobicContact CB-CG 4.03Å; P266-E307 HydrophobicContact CG-CG 3.99Å; P266-E307 VanDerWaalsContact CG-OE1 3.29Å; P266-E307 WeakPolarHBondContact CG-OE1 3.23Å; P266-L328 HydrophobicContact CB-CD1 4.14Å; P266-L328 HydrophobicContact CB-CD2 4.38Å; P266-L328 HydrophobicContact CB-CG 4.23Å; P266-L328 HydrophobicContact CG-CD2 4.13Å; P266-L328 HydrophobicContact CG-CG 4.38Å
267P97.4Very high94.6Very high0 Ų016.1 Ų16.10%07%0.069CC..SBendtrans-76.7155.1167.732.6-34.4000111.8N285 L288 V289 F304 L326P267-N285 WeakPolarHBondContact CA-OD1 3.29Å; P267-L288 HydrophobicContact CB-CD2 4.41Å; P267-V289 HydrophobicContact CB-CG2 3.73Å; P267-F304 HydrophobicContact CG-CE2 4.48Å; P267-F304 HydrophobicContact CG-CZ 4.32Å; P267-L326 HydrophobicContact CG-CD1 3.73Å
268G96.9Very high94.7Very high1 Ų117.8 Ų17.81%0.018%0.077CC..SBendtrans91-128.9-175.100000111.6N285G268-N285 PolarHBondContact N-OD1 3.26Å
269A96.6Very high94.6Very high0 Ų016.3 Ų16.30%07%0.071CC..  trans-144.4165.5-177.200000111.1P274 Y277 Q278 R313 L467A269-P274 HydrophobicContact CB-CB 3.92Å; A269-Y277 CarbonylContact C-O 3.57Å; A269-Y277 WeakPolarHBondContact CA-O 3.37Å; A269-Y277 VanDerWaalsContact CB-O 3.28Å; A269-Y277 WeakPolarHBondContact CB-O 3.32Å; A269-Q278 HydrophobicContact CB-CG 3.75Å; A269-R313 PolarHBondContact O-NH2 2.99Å; A269-L467 HydrophobicContact CB-CD2 3.47Å; A269-L467 VanDerWaalsContact CB-CD2 3.47Å
270S95.2Very high94.5Very high4 Ų416.4 Ų16.43%0.0287%0.071CC..  trans-66.4133169.6-168.60000111.3N272 S273 P274 Y277 E307S270-N272 PolarHBondContact O-N 3.29Å; S270-S273 CarbonylContact O-C 3.55Å; S270-S273 PolarHBondContact O-N 3.47Å; S270-P274 WeakPolarHBondContact O-CA 3.3Å; S270-P274 WeakPolarHBondContact O-CB 3.33Å; S270-P274 WeakPolarHBondContact O-CD 3.29Å; S270-Y277 PolarHBondContact N-O 2.98Å; S270-E307 WeakPolarHBondContact CA-OE2 3.49Å; S270-E307 WeakPolarHBondContact CB-OE2 3.43Å; S270-E307 PolarHBondContact OG-OE2 3.15Å
271E93.5Very high94.4Very high0 Ų017.8 Ų17.80%08%0.077CC..THydrogen-bonded Turntrans-67.7-24.9176.865.9-88.8-10000113.4S311 R313 Y421 E425 H455 A458E271-S311 WeakPolarHBondContact OE1-CB 3.35Å; E271-S311 PolarHBondContact OE1-OG 2.88Å; E271-R313 VanDerWaalsContact CD-NH1 3.3Å; E271-R313 IonicContact OE1-CZ 2.72Å; E271-R313 IonicContact OE1-NH1 3.52Å; E271-R313 PolarHBondContact OE1-NH1 3.45Å; E271-R313 IonicContact OE1-NH2 3.69Å; E271-R313 PolarHBondContact OE1-NH2 2.83Å; E271-R313 IonicContact OE2-CZ 3.58Å; E271-R313 IonicContact OE2-NH1 3.55Å; E271-R313 PolarHBondContact OE2-NH1 2.92Å; E271-R313 IonicContact OE2-NH2 2.67Å; E271-R313 PolarHBondContact OE2-NH2 3.31Å; E271-Y421 PolarHBondContact OE1-OH 3.18Å; E271-E425 WeakPolarHBondContact CG-OE1 3.29Å; E271-H455 HydrophobicContact CB-CB 4.42Å; E271-H455 VanDerWaalsContact CG-CD2 3.48Å; E271-H455 WeakPolarHBondContact CG-CD2 3.46Å; E271-H455 WeakPolarHBondContact CG-NE2 3.27Å; E271-H455 WeakPolarHBondContact O-CA 3.19Å; E271-H455 PolarHBondContact O-ND1 3.26Å; E271-A458 VanDerWaalsContact CA-CB 3.49Å; E271-A458 HydrophobicContact CB-CB 3.83Å
272N91.9Very high94.2Very high8 Ų820.3 Ų20.34%0.0439%0.094CC..THydrogen-bonded Turntrans-79.7-22.8-177.7-79-80.2000114S270 L340 E425 K434S270-N272 PolarHBondContact O-N 3.29Å; N272-L340 HydrophobicContact CB-CD1 3.9Å; N272-L340 WeakPolarHBondContact OD1-CD1 3.32Å; N272-E425 PolarHBondContact ND2-OE1 2.87Å; N272-K434 PolarHBondContact O-NZ 2.98Å
273S90.3Very high93.9Very high14 Ų1425.3 Ų25.310%0.09812%0.117CC..SBendtrans-156.256.7-178.9-67.70000112S270 Q275 W276 Y277 K434S270-S273 CarbonylContact O-C 3.55Å; S270-S273 PolarHBondContact O-N 3.47Å; S273-Q275 PolarHBondContact O-N 3.02Å; S273-Q275 VanDerWaalsContact O-N 3.11Å; S273-W276 PolarHBondContact O-N 2.89Å; S273-Y277 PolarHBondContact O-N 2.85Å; S273-Y277 VanDerWaalsContact O-N 3.11Å; S273-K434 PolarHBondContact OG-NZ 2.9Å
274P93.2Very high93.8Very high0 Ų025.4 Ų25.40%012%0.117CC..THydrogen-bonded Turntrans-69.7-13.4-16726.5-35.1000115.1A269 S270 W276 Q278 D454 A458 L471A269-P274 HydrophobicContact CB-CB 3.92Å; S270-P274 WeakPolarHBondContact O-CA 3.3Å; S270-P274 WeakPolarHBondContact O-CB 3.33Å; S270-P274 WeakPolarHBondContact O-CD 3.29Å; P274-W276 VanDerWaalsContact C-N 3.27Å; P274-Q278 PolarHBondContact O-NE2 3.14Å; P274-D454 HydrophobicContact CG-CB 3.92Å; P274-A458 HydrophobicContact CB-CB 4.05Å; P274-L471 HydrophobicContact CB-CD1 3.91Å; P274-L471 HydrophobicContact CB-CD2 4.1Å; P274-L471 HydrophobicContact CG-CD1 4.09Å; P274-L471 HydrophobicContact CG-CD2 3.56Å; P274-L471 HydrophobicContact CG-CG 4.49Å
275Q88.3Confident93.8Very high56 Ų5625.4 Ų25.426%0.26212%0.117SC..THydrogen-bonded Turntrans-73.3-20.6173-52.981.1500112.4S273 D454 L471S273-Q275 PolarHBondContact O-N 3.02Å; S273-Q275 VanDerWaalsContact O-N 3.11Å; Q275-D454 PolarHBondContact NE2-OD1 3.41Å; Q275-D454 PolarHBondContact NE2-OD2 3.25Å; Q275-L471 HydrophobicContact CG-CD1 4.22Å
276W85.1Confident93.7Very high169 Ų16927.3 Ų27.364%0.6413%0.127SC*.THydrogen-bonded Turntrans-118.6-38.3-170.5-53.4116.6000113S273 P274S273-W276 PolarHBondContact O-N 2.89Å; P274-W276 VanDerWaalsContact C-N 3.27Å
277Y87.1Confident93.7Very high34 Ų3430.2 Ų30.213%0.13314%0.141CC..  trans-107.491-173.2-55.5-43.3000112.6A269 S270 S273 T622 A623 F624 H625A269-Y277 CarbonylContact C-O 3.57Å; A269-Y277 WeakPolarHBondContact CA-O 3.37Å; A269-Y277 VanDerWaalsContact CB-O 3.28Å; A269-Y277 WeakPolarHBondContact CB-O 3.32Å; S270-Y277 PolarHBondContact N-O 2.98Å; S273-Y277 PolarHBondContact O-N 2.85Å; S273-Y277 VanDerWaalsContact O-N 3.11Å; Y277-T622 WeakPolarHBondContact CE1-O 3.4Å; Y277-T622 PolarHBondContact OH-O 2.85Å; Y277-A623 WeakPolarHBondContact CD2-O 3.19Å; Y277-A623 WeakPolarHBondContact CE2-O 3.39Å; Y277-A623 VanDerWaalsContact CZ-O 3.23Å; Y277-F624 PolarHBondContact OH-N 3.22Å; Y277-H625 PolarHBondContact OH-N 2.98Å; Y277-H625 PolarHBondContact OH-O 3.14Å
278Q93.5Very high93.7Very high36 Ų3630.3 Ų30.317%0.16814%0.141CC..  trans-114.697.6172.9-70.2169.52200107.8Q226 A269 P274 L280 L464Q226-Q278 VanDerWaalsContact CD-O 3.29Å; Q226-Q278 PolarHBondContact NE2-O 3.12Å; A269-Q278 HydrophobicContact CB-CG 3.75Å; P274-Q278 PolarHBondContact O-NE2 3.14Å; Q278-L280 PolarHBondContact O-N 3.35Å; Q278-L464 HydrophobicContact CB-CD1 4.47Å; Q278-L464 HydrophobicContact CB-CD2 4.47Å; Q278-L464 HydrophobicContact CG-CD2 4.03Å
279F93Very high93.8Very high17 Ų1730.3 Ų30.38%0.07514%0.142CC..  trans-66-38.5-162.1-51.4-75.5000114.3Y225 Q226 F265 P266 H306 E307Y225-F279 CarbonylContact C-O 3.6Å; Y225-F279 WeakPolarHBondContact CA-O 3.41Å; Y225-F279 HydrophobicContact CD2-CB 4.26Å; Y225-F279 WeakPolarHBondContact CD2-O 3.33Å; Y225-F279 HydrophobicContact CE2-CB 4.35Å; Y225-F279 HydrophobicContact CE2-CD1 4.45Å; Q226-F279 PolarHBondContact N-O 3.25Å; F265-F279 HydrophobicContact CB-CB 4.38Å; F265-F279 HydrophobicContact CD1-CB 4.44Å; P266-F279 HydrophobicContact CG-CD2 3.84Å; P266-F279 HydrophobicContact CG-CE2 3.9Å; F279-H306 AromaticContact CD1-CD2 3.37Å; F279-H306 WeakPolarHBondContact CD1-CD2 3.36Å; F279-H306 AromaticContact CD1-NE2 3.49Å; F279-H306 WeakPolarHBondContact CD1-NE2 3.43Å; F279-H306 AromaticContact CE1-CD2 3.57Å; F279-H306 AromaticContact CE1-NE2 3.85Å; F279-E307 HydrophobicContact CE1-CG 4.2Å; F279-E307 VanDerWaalsContact CE2-CD 3.41Å; F279-E307 HydrophobicContact CE2-CG 3.83Å; F279-E307 WeakPolarHBondContact CE2-OE1 3.43Å; F279-E307 HydrophobicContact CZ-CG 3.44Å; F279-E307 VanDerWaalsContact CZ-CG 3.44Å
280L95.7Very high93.8Very high2 Ų232 Ų321%0.0115%0.15CC..BIsolated β-bridgetrans-96.5144.4-178.2-56-175.4000110.3W224 Q226 F265 Q278 N285 L288W224-L280 HydrophobicContact CB-CD2 3.92Å; W224-L280 CarbonylContact O-C 3.6Å; W224-L280 WeakPolarHBondContact O-CA 3.25Å; Q226-L280 PolarHBondContact NE2-O 3.02Å; F265-L280 HydrophobicContact CB-CD2 3.79Å; F265-L280 HydrophobicContact CG-CD2 4.37Å; Q278-L280 PolarHBondContact O-N 3.35Å; L280-N285 HydrophobicContact CB-CB 4.01Å; L280-L288 HydrophobicContact CD1-CD2 3.78Å
281H94.8Very high94Very high29 Ų2931.8 Ų31.813%0.13415%0.149CC..  trans-54139.2172.2-74-69.2000110.1W224 Q226 A231 T233 Q283 M284 N285W224-H281 PolarHBondContact O-CD2 3.01Å; W224-H281 PolarHBondContact O-N 2.69Å; Q226-H281 HydrophobicContact CG-CB 4.49Å; A231-H281 PolarHBondContact O-NE2 2.97Å; T233-H281 HydrophobicContact CG2-CB 4.32Å; H281-Q283 VanDerWaalsContact C-N 3.29Å; H281-Q283 PolarHBondContact O-N 3.33Å; H281-Q283 VanDerWaalsContact O-N 3.08Å; H281-M284 HydrophobicContact CB-CB 4.47Å; H281-M284 HydrophobicContact CB-CG 4.07Å; H281-M284 WeakPolarHBondContact O-CA 3.32Å; H281-M284 WeakPolarHBondContact O-CB 3.3Å; H281-M284 PolarHBondContact O-N 3.07Å; H281-N285 PolarHBondContact O-N 3.24Å
282P94.1Very high94.2Very high53 Ų5331.8 Ų31.834%0.34415%0.149SC..Hα-helixtrans-53.9-39.3-168.6-31.937.6000115.4M284 D286 L464P282-M284 VanDerWaalsContact C-N 3.31Å; P282-M284 PolarHBondContact O-N 3.01Å; P282-D286 PolarHBondContact O-N 3.34Å; P282-L464 HydrophobicContact CB-CD1 3.85Å; P282-L464 HydrophobicContact CG-CD1 3.96Å
283Q94Very high94.5Very high105 Ų10533 Ų3349%0.49116%0.155SC..Hα-helixtrans-70.3-27.2178.2-52.783.7-8.100112.8H281 Q287H281-Q283 VanDerWaalsContact C-N 3.29Å; H281-Q283 PolarHBondContact O-N 3.33Å; H281-Q283 VanDerWaalsContact O-N 3.08Å; Q283-Q287 WeakPolarHBondContact O-CB 3.29Å; Q283-Q287 WeakPolarHBondContact O-CG 3.1Å; Q283-Q287 PolarHBondContact O-N 2.95Å; Q283-Q287 PolarHBondContact O-NE2 3.31Å; Q283-Q287 VanDerWaalsContact O-NE2 3.11Å
284M96Very high94.8Very high4 Ų436.6 Ų36.62%0.0217%0.17CC..Hα-helixtrans-81.8-43.2175.7-55.8-57.1164.300110.6W224 D235 P238 F242 H281 P282 Q287 L288W224-M284 HydrophobicContact CB-CB 3.82Å; W224-M284 HydrophobicContact CB-CG 4.06Å; W224-M284 HydrophobicContact CG-CB 3.88Å; W224-M284 HydrophobicContact CG-CG 4.06Å; D235-M284 WeakPolarHBondContact O-CE 3.39Å; P238-M284 HydrophobicContact CG-CE 3.8Å; P238-M284 HydrophobicContact CG-SD 4.28Å; F242-M284 HydrophobicContact CE2-SD 3.69Å; F242-M284 HydrophobicContact CZ-CB 4.27Å; F242-M284 WeakPolarHBondContact CZ-O 3.44Å; F242-M284 HydrophobicContact CZ-SD 4.24Å; H281-M284 HydrophobicContact CB-CB 4.47Å; H281-M284 HydrophobicContact CB-CG 4.07Å; H281-M284 WeakPolarHBondContact O-CA 3.32Å; H281-M284 WeakPolarHBondContact O-CB 3.3Å; H281-M284 PolarHBondContact O-N 3.07Å; P282-M284 VanDerWaalsContact C-N 3.31Å; P282-M284 PolarHBondContact O-N 3.01Å; M284-Q287 PolarHBondContact O-N 2.88Å; M284-L288 WeakPolarHBondContact O-CB 3.29Å; M284-L288 PolarHBondContact O-N 3.4Å
285N97.5Very high95Very high0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-54.3-58.6174.8-178.675.9000111.4P267 G268 L280 H281 Q287 L288 V289 L462 L464P267-N285 WeakPolarHBondContact CA-OD1 3.29Å; G268-N285 PolarHBondContact N-OD1 3.26Å; L280-N285 HydrophobicContact CB-CB 4.01Å; H281-N285 PolarHBondContact O-N 3.24Å; N285-Q287 VanDerWaalsContact C-N 3.27Å; N285-Q287 PolarHBondContact O-N 3.49Å; N285-L288 PolarHBondContact O-N 3.23Å; N285-L288 VanDerWaalsContact O-N 3.12Å; N285-V289 WeakPolarHBondContact O-CG2 3.39Å; N285-V289 PolarHBondContact O-N 2.9Å; N285-L462 PolarHBondContact ND2-O 3.45Å; N285-L464 HydrophobicContact CB-CD1 4.17Å; N285-L464 HydrophobicContact CB-CG 4.44Å
286D97.1Very high95.5Very high40 Ų4035 Ų3521%0.21417%0.165CC..Hα-helixtrans-68.6-30.1-173.3-73.19.8000111P282 N290 I463 L464P282-D286 PolarHBondContact O-N 3.34Å; D286-N290 WeakPolarHBondContact O-CB 3.47Å; D286-N290 PolarHBondContact O-N 3.1Å; D286-N290 PolarHBondContact O-ND2 2.8Å; D286-I463 HydrophobicContact CB-CD1 3.96Å; D286-L464 PolarHBondContact OD1-N 2.99Å; D286-L464 VanDerWaalsContact OD1-N 3.15Å
287Q96.7Very high95.9Very high63 Ų6331.2 Ų31.229%0.29416%0.158SC..Hα-helixtrans-64.6-47.4169.7-83.4-17195.100112.5P236 F242 Q283 M284 N285 N290 I291P236-Q287 PolarHBondContact O-NE2 2.94Å; F242-Q287 HydrophobicContact CD2-CB 4.28Å; F242-Q287 HydrophobicContact CE1-CB 4.35Å; F242-Q287 HydrophobicContact CE2-CB 3.78Å; F242-Q287 HydrophobicContact CE2-CG 4.45Å; F242-Q287 HydrophobicContact CZ-CB 3.83Å; Q283-Q287 WeakPolarHBondContact O-CB 3.29Å; Q283-Q287 WeakPolarHBondContact O-CG 3.1Å; Q283-Q287 PolarHBondContact O-N 2.95Å; Q283-Q287 PolarHBondContact O-NE2 3.31Å; Q283-Q287 VanDerWaalsContact O-NE2 3.11Å; M284-Q287 PolarHBondContact O-N 2.88Å; N285-Q287 VanDerWaalsContact C-N 3.27Å; N285-Q287 PolarHBondContact O-N 3.49Å; Q287-N290 PolarHBondContact O-N 3.38Å; Q287-I291 VanDerWaalsContact O-CG1 3.27Å; Q287-I291 WeakPolarHBondContact O-CG1 3.45Å; Q287-I291 PolarHBondContact O-N 3.49Å
288L97.9Very high96.4Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..Hα-helixtrans-59.7-48177-179.559.7000110.8L219 W224 F242 L245 P267 L280 M284 N285 N290 I291 L292L219-L288 HydrophobicContact CD1-CD1 4.08Å; W224-L288 HydrophobicContact CH2-CD1 4.41Å; W224-L288 HydrophobicContact CZ3-CD1 4.33Å; W224-L288 HydrophobicContact CZ3-CD2 4.08Å; F242-L288 HydrophobicContact CE1-CB 4Å; F242-L288 HydrophobicContact CE1-CD1 4.44Å; F242-L288 HydrophobicContact CZ-CB 4.49Å; L245-L288 HydrophobicContact CD2-CD1 4.18Å; P267-L288 HydrophobicContact CB-CD2 4.41Å; L280-L288 HydrophobicContact CD1-CD2 3.78Å; M284-L288 WeakPolarHBondContact O-CB 3.29Å; M284-L288 PolarHBondContact O-N 3.4Å; N285-L288 PolarHBondContact O-N 3.23Å; N285-L288 VanDerWaalsContact O-N 3.12Å; L288-N290 PolarHBondContact O-N 3.38Å; L288-I291 PolarHBondContact O-N 3.32Å; L288-L292 HydrophobicContact CD1-CD1 4.37Å; L288-L292 HydrophobicContact CD1-CG 4.38Å; L288-L292 HydrophobicContact CG-CD1 4.17Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.42Å; L288-L292 PolarHBondContact O-N 2.85Å
289V98.2Very high96.6Very high2 Ų228.9 Ų28.91%0.01215%0.149CC..Hα-helixtrans-61-44178.9173.50000111.6P267 N285 L292 I293 L315 L462 I463P267-V289 HydrophobicContact CB-CG2 3.73Å; N285-V289 WeakPolarHBondContact O-CG2 3.39Å; N285-V289 PolarHBondContact O-N 2.9Å; V289-L292 PolarHBondContact O-N 2.82Å; V289-I293 HydrophobicContact CG1-CD1 3.83Å; V289-I293 VanDerWaalsContact O-CG1 3.29Å; V289-I293 WeakPolarHBondContact O-CG1 3.5Å; V289-I293 PolarHBondContact O-N 2.95Å; V289-L315 HydrophobicContact CG1-CD1 4.02Å; V289-L462 HydrophobicContact CG1-CB 4.14Å; V289-L462 HydrophobicContact CG2-CB 3.83Å; V289-I463 HydrophobicContact CB-CD1 3.86Å; V289-I463 HydrophobicContact CG1-CD1 3.55Å; V289-I463 HydrophobicContact CG1-CG1 3.92Å
290N97.8Very high96.7Very high34 Ų3428.7 Ų28.718%0.18215%0.148CC..Hα-helixtrans-64.1-41.5174.8-80.5-88.4000111.9D286 Q287 L288 L292 I293 E294 K318D286-N290 WeakPolarHBondContact O-CB 3.47Å; D286-N290 PolarHBondContact O-N 3.1Å; D286-N290 PolarHBondContact O-ND2 2.8Å; Q287-N290 PolarHBondContact O-N 3.38Å; L288-N290 PolarHBondContact O-N 3.38Å; N290-L292 VanDerWaalsContact C-N 3.32Å; N290-L292 PolarHBondContact O-N 3.08Å; N290-I293 PolarHBondContact O-N 2.78Å; N290-E294 WeakPolarHBondContact O-CB 3.29Å; N290-E294 VanDerWaalsContact O-CG 3.23Å; N290-E294 WeakPolarHBondContact O-CG 3.32Å; N290-E294 PolarHBondContact O-N 2.72Å; N290-K318 VanDerWaalsContact OD1-CE 3.27Å; N290-K318 WeakPolarHBondContact OD1-CE 3.36Å; N290-K318 PolarHBondContact OD1-NZ 3.1Å
291I98.2Very high96.9Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-59.2-42.5175.6-71.7163.8000111.5F242 L245 R246 F249 Q287 L288 N295F242-I291 HydrophobicContact CB-CD1 3.78Å; F242-I291 HydrophobicContact CD1-CD1 3.4Å; F242-I291 VanDerWaalsContact CD1-CD1 3.4Å; F242-I291 HydrophobicContact CE1-CD1 4.18Å; F242-I291 HydrophobicContact CG-CD1 3.79Å; L245-I291 HydrophobicContact CD2-CG2 3.92Å; L245-I291 HydrophobicContact CG-CG2 4.11Å; R246-I291 HydrophobicContact CG-CD1 4.24Å; R246-I291 HydrophobicContact CG-CG1 4.18Å; R246-I291 VanDerWaalsContact CZ-CG1 3.5Å; F249-I291 HydrophobicContact CD2-CG2 4.05Å; F249-I291 HydrophobicContact CE2-CG2 3.81Å; Q287-I291 VanDerWaalsContact O-CG1 3.27Å; Q287-I291 WeakPolarHBondContact O-CG1 3.45Å; Q287-I291 PolarHBondContact O-N 3.49Å; L288-I291 PolarHBondContact O-N 3.32Å; I291-N295 PolarHBondContact O-N 3.35Å; I291-N295 PolarHBondContact O-ND2 3.48Å
292L98.3Very high97Very high0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-65.8-41.9177.2-65.2170.9000111.1F249 L261 L288 V289 N290 N295 A296 L299 L315 L326F249-L292 HydrophobicContact CZ-CD2 4.49Å; L261-L292 HydrophobicContact CD1-CD2 3.76Å; L261-L292 HydrophobicContact CD2-CD2 4.25Å; L288-L292 HydrophobicContact CD1-CD1 4.37Å; L288-L292 HydrophobicContact CD1-CG 4.38Å; L288-L292 HydrophobicContact CG-CD1 4.17Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.42Å; L288-L292 PolarHBondContact O-N 2.85Å; V289-L292 PolarHBondContact O-N 2.82Å; N290-L292 VanDerWaalsContact C-N 3.32Å; N290-L292 PolarHBondContact O-N 3.08Å; L292-N295 CarbonylContact O-C 3.4Å; L292-N295 PolarHBondContact O-N 2.69Å; L292-A296 WeakPolarHBondContact O-CA 3.39Å; L292-A296 PolarHBondContact O-N 2.5Å; L292-L299 HydrophobicContact CB-CD1 4.36Å; L292-L299 HydrophobicContact CD2-CD1 3.99Å; L292-L299 HydrophobicContact CD2-CD2 4.33Å; L292-L315 HydrophobicContact CB-CD1 4.18Å; L292-L315 HydrophobicContact CB-CD2 3.57Å; L292-L326 HydrophobicContact CD1-CD2 4.4Å
293I97.9Very high97.3Very high35 Ų3524.7 Ų24.718%0.17913%0.125CC..Hα-helixtrans-63.9-43.7177.8-69.3163.2000111V289 N290 N295 L315 V316V289-I293 HydrophobicContact CG1-CD1 3.83Å; V289-I293 VanDerWaalsContact O-CG1 3.29Å; V289-I293 WeakPolarHBondContact O-CG1 3.5Å; V289-I293 PolarHBondContact O-N 2.95Å; N290-I293 PolarHBondContact O-N 2.78Å; I293-N295 PolarHBondContact O-N 2.62Å; I293-N295 VanDerWaalsContact O-N 3.17Å; I293-L315 HydrophobicContact CD1-CD1 4.4Å; I293-L315 HydrophobicContact CG1-CD1 3.85Å; I293-L315 HydrophobicContact CG1-CD2 4.06Å; I293-L315 HydrophobicContact CG1-CG 3.76Å; I293-V316 VanDerWaalsContact CD1-O 3.26Å; I293-V316 WeakPolarHBondContact CD1-O 3.44Å
294E97Very high97.5Very high88 Ų8819.7 Ų19.741%0.41110%0.101SC..Hα-helixtrans-63.3-16.8179-73.2167.8-153.500113.9R246 R253 N290R246-E294 IonicContact CZ-OE2 2.77Å; R246-E294 IonicContact NH1-OE1 3.6Å; R246-E294 IonicContact NH1-OE2 2.89Å; R246-E294 PolarHBondContact NH1-OE2 2.73Å; R246-E294 IonicContact NH2-OE1 3.13Å; R246-E294 PolarHBondContact NH2-OE1 3.32Å; R246-E294 IonicContact NH2-OE2 2.72Å; R246-E294 PolarHBondContact NH2-OE2 3.49Å; R253-E294 PolarHBondContact NH2-O 3.43Å; N290-E294 WeakPolarHBondContact O-CB 3.29Å; N290-E294 VanDerWaalsContact O-CG 3.23Å; N290-E294 WeakPolarHBondContact O-CG 3.32Å; N290-E294 PolarHBondContact O-N 2.72Å
295N97.8Very high97.6Very high10 Ų1019.5 Ų19.55%0.05310%0.1CC..THydrogen-bonded Turntrans-13318.5-172.9-58.7-77.8000113.5F249 R253 I291 L292 I293 D297 L298 L299F249-N295 HydrophobicContact CB-CB 4.14Å; F249-N295 HydrophobicContact CD1-CB 3.58Å; F249-N295 HydrophobicContact CD2-CB 4.07Å; F249-N295 HydrophobicContact CE1-CB 3.87Å; F249-N295 HydrophobicContact CE2-CB 4.33Å; F249-N295 HydrophobicContact CG-CB 3.68Å; F249-N295 HydrophobicContact CZ-CB 4.24Å; R253-N295 PolarHBondContact NH1-OD1 2.97Å; I291-N295 PolarHBondContact O-N 3.35Å; I291-N295 PolarHBondContact O-ND2 3.48Å; L292-N295 CarbonylContact O-C 3.4Å; L292-N295 PolarHBondContact O-N 2.69Å; I293-N295 PolarHBondContact O-N 2.62Å; I293-N295 VanDerWaalsContact O-N 3.17Å; N295-D297 VanDerWaalsContact C-OD1 3.22Å; N295-D297 WeakPolarHBondContact CA-OD1 3.11Å; N295-D297 PolarHBondContact O-N 3.39Å; N295-L298 HydrophobicContact CB-CD1 4.22Å; N295-L298 WeakPolarHBondContact O-CB 3.38Å; N295-L298 PolarHBondContact O-N 3.28Å; N295-L299 PolarHBondContact O-N 3.48Å
296A97.2Very high97.6Very high13 Ų1320.4 Ų20.411%0.10711%0.105CC..THydrogen-bonded Turntrans-62.8-25.6-177.100000113.9L292 L298 L299 V323 A324L292-A296 WeakPolarHBondContact O-CA 3.39Å; L292-A296 PolarHBondContact O-N 2.5Å; A296-L298 PolarHBondContact O-N 2.94Å; A296-L299 PolarHBondContact O-N 3.45Å; A296-V323 HydrophobicContact CB-CB 3.74Å; A296-V323 HydrophobicContact CB-CG2 3.81Å; A296-A324 HydrophobicContact CB-CB 4.24Å
297D95.3Very high97.5Very high90 Ų9018.8 Ų18.848%0.48110%0.096SC..THydrogen-bonded Turntrans-57.5-32.2169.358-47.5000112.8R253 K258 N295R253-D297 IonicContact CZ-OD1 3.64Å; R253-D297 IonicContact CZ-OD2 3.26Å; R253-D297 IonicContact NE-OD1 3.61Å; R253-D297 IonicContact NE-OD2 3.95Å; R253-D297 PolarHBondContact NE-OD2 2.9Å; R253-D297 VanDerWaalsContact NE-OD2 3.12Å; R253-D297 VanDerWaalsContact NH2-CG 3.31Å; R253-D297 IonicContact NH2-OD1 2.74Å; R253-D297 PolarHBondContact NH2-OD1 2.82Å; R253-D297 IonicContact NH2-OD2 3.86Å; R253-D297 PolarHBondContact NH2-OD2 2.82Å; K258-D297 PolarHBondContact NZ-O 3.4Å; N295-D297 VanDerWaalsContact C-OD1 3.22Å; N295-D297 WeakPolarHBondContact CA-OD1 3.11Å; N295-D297 PolarHBondContact O-N 3.39Å
298L96.5Very high97.5Very high11 Ų1116 Ų166%0.0588%0.083CC..THydrogen-bonded Turntrans-91.8-17.8-177.6-51.7171.6000112.8F249 A252 R253 K258 V259 N295 A296F249-L298 HydrophobicContact CB-CD1 4.19Å; F249-L298 HydrophobicContact CD1-CB 4.23Å; F249-L298 HydrophobicContact CD1-CD1 3.97Å; F249-L298 WeakPolarHBondContact O-CD1 2.98Å; A252-L298 HydrophobicContact CB-CD1 4.35Å; R253-L298 HydrophobicContact CB-CD1 3.74Å; R253-L298 HydrophobicContact CB-CD2 4.03Å; R253-L298 HydrophobicContact CG-CD1 4.32Å; R253-L298 HydrophobicContact CG-CD2 4.16Å; K258-L298 CarbonylContact C-O 3.58Å; K258-L298 WeakPolarHBondContact CA-O 3.27Å; K258-L298 WeakPolarHBondContact CD-O 3.44Å; V259-L298 HydrophobicContact CG2-CB 4.48Å; V259-L298 PolarHBondContact N-O 2.85Å; N295-L298 HydrophobicContact CB-CD1 4.22Å; N295-L298 WeakPolarHBondContact O-CB 3.38Å; N295-L298 PolarHBondContact O-N 3.28Å; A296-L298 PolarHBondContact O-N 2.94Å
299L97Very high97.4Very high9 Ų916 Ų165%0.0478%0.083CC..EExtended strand (participates in β ladder)trans-70.1143.6179.6-70.9175000111.7F249 K258 V259 L261 L292 N295 A296 L315 A324F249-L299 HydrophobicContact CE1-CD2 3.91Å; F249-L299 HydrophobicContact CE1-CG 4.42Å; F249-L299 HydrophobicContact CZ-CD2 3.93Å; K258-L299 PolarHBondContact NZ-O 2.97Å; V259-L299 HydrophobicContact CB-CD2 4.4Å; V259-L299 HydrophobicContact CG1-CD2 4.28Å; V259-L299 CarbonylContact O-C 3.58Å; V259-L299 WeakPolarHBondContact O-CA 3.44Å; L261-L299 HydrophobicContact CB-CD2 4.29Å; L292-L299 HydrophobicContact CB-CD1 4.36Å; L292-L299 HydrophobicContact CD2-CD1 3.99Å; L292-L299 HydrophobicContact CD2-CD2 4.33Å; N295-L299 PolarHBondContact O-N 3.48Å; A296-L299 PolarHBondContact O-N 3.45Å; L299-L315 HydrophobicContact CD1-CD2 4.48Å; L299-A324 HydrophobicContact CD1-CB 4.04Å
300M96.9Very high97.4Very high13 Ų1316 Ų166%0.0648%0.083CC..EExtended strand (participates in β ladder)trans-90-50.9160.5167.4171.7176.400109.2F27 L214 V259 L260 F352 M357 L359F27-M300 HydrophobicContact CE1-CE 3.65Å; F27-M300 HydrophobicContact CZ-CE 4.33Å; L214-M300 HydrophobicContact CD1-CB 4.36Å; L214-M300 HydrophobicContact CD1-SD 3.76Å; L214-M300 HydrophobicContact CD2-SD 3.92Å; V259-M300 PolarHBondContact O-N 3.24Å; L260-M300 HydrophobicContact CB-SD 4.41Å; L260-M300 HydrophobicContact CD1-CG 4.47Å; M300-F352 HydrophobicContact CE-CB 3.55Å; M300-F352 HydrophobicContact CE-CD1 4.02Å; M300-F352 HydrophobicContact CE-CD2 4.03Å; M300-F352 HydrophobicContact CE-CG 3.62Å; M300-M357 VanDerWaalsContact CG-O 3.32Å; M300-M357 WeakPolarHBondContact CG-O 3.41Å; M300-M357 HydrophobicContact SD-CB 4.19Å; M300-L359 HydrophobicContact CE-CD1 3.88Å
301T98.1Very high97.4Very high0 Ų014.5 Ų14.50%08%0.075CC..EExtended strand (participates in β ladder)trans-166.9168.6165.6-175.10000108.4L260 L261 L303 S325 F327 L359L260-T301 HydrophobicContact CD1-CG2 3.34Å; L261-T301 PolarHBondContact N-O 3.01Å; T301-L303 HydrophobicContact CG2-CD2 3.81Å; T301-L303 HydrophobicContact CG2-CG 3.96Å; T301-S325 PolarHBondContact OG1-O 2.84Å; T301-F327 WeakPolarHBondContact OG1-CD2 3.39Å; T301-L359 HydrophobicContact CG2-CD2 3.89Å
302G98.4Very high97.4Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-91.1149.815200000111.2L261 S325 L326 F327L261-G302 CarbonylContact O-C 3.49Å; L261-G302 WeakPolarHBondContact O-CA 3.28Å; G302-S325 PolarHBondContact N-O 2.87Å; G302-L326 WeakPolarHBondContact O-CA 3.36Å; G302-F327 PolarHBondContact O-N 2.87Å
303L98.8Very high97.4Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-130133.6173.9-64.1179.7000109.9F27 I79 L260 L261 V262 S263 T301 F327 Y350F27-L303 HydrophobicContact CE2-CD1 3.79Å; F27-L303 HydrophobicContact CZ-CD1 4.25Å; I79-L303 HydrophobicContact CG1-CD1 4.1Å; I79-L303 HydrophobicContact CG2-CD1 4.49Å; L260-L303 HydrophobicContact CD1-CD1 3.81Å; L260-L303 HydrophobicContact CD1-CG 3.93Å; L260-L303 HydrophobicContact CD2-CD1 4.15Å; L260-L303 HydrophobicContact CG-CD1 4.24Å; L261-L303 PolarHBondContact O-N 3.24Å; V262-L303 VanDerWaalsContact CA-O 3.31Å; V262-L303 WeakPolarHBondContact CA-O 3.13Å; V262-L303 HydrophobicContact CG1-CB 4.13Å; V262-L303 HydrophobicContact CG2-CB 4.22Å; V262-L303 HydrophobicContact CG2-CD1 4.34Å; S263-L303 PolarHBondContact N-O 3.31Å; S263-L303 VanDerWaalsContact N-O 3.1Å; T301-L303 HydrophobicContact CG2-CD2 3.81Å; T301-L303 HydrophobicContact CG2-CG 3.96Å; L303-F327 CarbonylContact C-O 3.6Å; L303-F327 HydrophobicContact CD2-CB 4.11Å; L303-Y350 HydrophobicContact CD2-CE1 4.17Å; L303-Y350 HydrophobicContact CD2-CE2 4.09Å; L303-Y350 WeakPolarHBondContact CD2-OH 3.28Å
304F98.7Very high97.4Very high0 Ų013.3 Ų13.30%07%0.068CC..EExtended strand (participates in β ladder)trans-142.1173.3-174.7-58.6-78.1000110.4L261 S263 F265 P266 P267 L326 F327 L328 M329L261-F304 HydrophobicContact CD2-CE1 4.34Å; L261-F304 HydrophobicContact CD2-CZ 3.87Å; S263-F304 WeakPolarHBondContact O-CA 3.43Å; F265-F304 WeakPolarHBondContact O-CD1 3.26Å; F265-F304 WeakPolarHBondContact O-CE1 3.09Å; P266-F304 HydrophobicContact CB-CB 3.84Å; P266-F304 HydrophobicContact CB-CD1 4.46Å; P266-F304 HydrophobicContact CB-CG 4.03Å; P267-F304 HydrophobicContact CG-CE2 4.48Å; P267-F304 HydrophobicContact CG-CZ 4.32Å; F304-L326 HydrophobicContact CD2-CB 4.18Å; F304-L326 HydrophobicContact CE2-CB 3.94Å; F304-L326 HydrophobicContact CE2-CD1 4.06Å; F304-L326 HydrophobicContact CE2-CD2 4.15Å; F304-L326 HydrophobicContact CE2-CG 4.27Å; F304-F327 PolarHBondContact N-O 3.26Å; F304-L328 HydrophobicContact CB-CG 4.46Å; F304-L328 CarbonylContact O-C 3.5Å; F304-L328 WeakPolarHBondContact O-CA 3.1Å; F304-M329 WeakPolarHBondContact O-CB 3.48Å; F304-M329 PolarHBondContact O-N 3.16Å
305A97.9Very high97.4Very high0 Ų09.1 Ų9.10%05%0.049CC..  trans-148.3-126.8177.200000109.2S31 D32 H264 E307 M329S31-A305 WeakPolarHBondContact OG-CB 3.02Å; D32-A305 VanDerWaalsContact OD2-CB 3.23Å; D32-A305 WeakPolarHBondContact OD2-CB 3.16Å; H264-A305 CarbonylContact O-C 3.6Å; H264-A305 PolarHBondContact O-N 3.03Å; A305-E307 PolarHBondContact O-N 2.8Å; A305-M329 HydrophobicContact CB-CB 4.19Å
306H97.5Very high97.3Very high20 Ų209.9 Ų9.99%0.0935%0.054CC..SBendtrans69.1-39.7174.5-171.869.1000115.6D32 N124 Y225 H264 F265 F279 H308D32-H306 VanDerWaalsContact OD1-CA 3.24Å; D32-H306 WeakPolarHBondContact OD1-CA 3.29Å; D32-H306 PolarHBondContact OD1-N 3.27Å; N124-H306 PolarHBondContact OD1-CE1 2.8Å; N124-H306 VanDerWaalsContact OD1-CE1 3.28Å; N124-H306 PolarHBondContact OD1-ND1 3.31Å; N124-H306 VanDerWaalsContact OD1-ND1 3.1Å; Y225-H306 AromaticContact CE2-NE2 3.7Å; H264-H306 AromaticContact CD2-CG 3.83Å; H264-H306 AromaticContact CD2-ND1 3.48Å; H264-H306 PolarHBondContact CD2-ND1 2.87Å; H264-H306 WeakPolarHBondContact NE2-CB 3.24Å; H264-H306 AromaticContact NE2-CG 3.56Å; H264-H306 AromaticContact NE2-ND1 3.05Å; H264-H306 PolarHBondContact NE2-ND1 3.29Å; F265-H306 HydrophobicContact CD1-CB 4.38Å; F265-H306 AromaticContact CD1-CD2 3.8Å; F265-H306 AromaticContact CD1-CE1 3.85Å; F265-H306 AromaticContact CD1-CG 3.74Å; F265-H306 AromaticContact CD1-ND1 3.77Å; F265-H306 AromaticContact CD1-NE2 3.84Å; F265-H306 AromaticContact CE1-CE1 3.48Å; F265-H306 VanDerWaalsContact CE1-CE1 3.48Å; F265-H306 WeakPolarHBondContact CE1-CE1 3.29Å; F265-H306 AromaticContact CE1-ND1 3.53Å; F265-H306 AromaticContact CE1-NE2 3.89Å; F279-H306 AromaticContact CD1-CD2 3.37Å; F279-H306 WeakPolarHBondContact CD1-CD2 3.36Å; F279-H306 AromaticContact CD1-NE2 3.49Å; F279-H306 WeakPolarHBondContact CD1-NE2 3.43Å; F279-H306 AromaticContact CE1-CD2 3.57Å; F279-H306 AromaticContact CE1-NE2 3.85Å; H306-H308 VanDerWaalsContact C-N 3.31Å; H306-H308 PolarHBondContact O-N 3.16Å
307E95.2Very high97.1Very high6 Ų610.2 Ų10.23%0.0286%0.055CC..SBendtrans-82.8-4.4-176.4-58-158.4-133.100114P266 S270 F279 A305 V309 R313 L328P266-E307 HydrophobicContact CG-CG 3.99Å; P266-E307 VanDerWaalsContact CG-OE1 3.29Å; P266-E307 WeakPolarHBondContact CG-OE1 3.23Å; S270-E307 WeakPolarHBondContact CA-OE2 3.49Å; S270-E307 WeakPolarHBondContact CB-OE2 3.43Å; S270-E307 PolarHBondContact OG-OE2 3.15Å; F279-E307 HydrophobicContact CE1-CG 4.2Å; F279-E307 VanDerWaalsContact CE2-CD 3.41Å; F279-E307 HydrophobicContact CE2-CG 3.83Å; F279-E307 WeakPolarHBondContact CE2-OE1 3.43Å; F279-E307 HydrophobicContact CZ-CG 3.44Å; F279-E307 VanDerWaalsContact CZ-CG 3.44Å; A305-E307 PolarHBondContact O-N 2.8Å; E307-V309 HydrophobicContact CB-CG2 3.81Å; E307-V309 PolarHBondContact O-N 2.79Å; E307-R313 IonicContact OE1-CZ 2.97Å; E307-R313 IonicContact OE1-NH2 3.23Å; E307-R313 PolarHBondContact OE1-NH2 2.88Å; E307-R313 IonicContact OE2-NH2 4Å; E307-L328 HydrophobicContact CB-CD2 4.1Å; E307-L328 HydrophobicContact CG-CD2 3.91Å; E307-L328 VanDerWaalsContact OE1-CD2 3.24Å; E307-L328 WeakPolarHBondContact OE1-CD2 3.41Å
308H96.9Very high96.9Very high5 Ų514 Ų142%0.0237%0.068CC..  trans58-9-174.5-69.5-148.3000116.2D32 H34 H306 P330 S331 L337 F343 R346D32-H308 IonicContact OD1-CD2 3.76Å; D32-H308 PolarHBondContact OD1-CD2 2.82Å; D32-H308 VanDerWaalsContact OD1-CD2 3.28Å; D32-H308 IonicContact OD1-NE2 3.64Å; H34-H308 AromaticContact CD2-CE1 3.8Å; H34-H308 AromaticContact CD2-NE2 3.81Å; H34-H308 AromaticContact NE2-CE1 3.64Å; H34-H308 AromaticContact NE2-NE2 3.21Å; H34-H308 PolarHBondContact NE2-NE2 2.81Å; H306-H308 VanDerWaalsContact C-N 3.31Å; H306-H308 PolarHBondContact O-N 3.16Å; H308-P330 VanDerWaalsContact O-CA 3.27Å; H308-P330 WeakPolarHBondContact O-CA 3.21Å; H308-P330 WeakPolarHBondContact O-CB 3.17Å; H308-S331 VanDerWaalsContact CG-CB 3.42Å; H308-S331 WeakPolarHBondContact ND1-CB 3.1Å; H308-S331 PolarHBondContact ND1-OG 3.02Å; H308-S331 PolarHBondContact O-N 2.89Å; H308-L337 HydrophobicContact CB-CD1 4.08Å; H308-F343 HydrophobicContact CB-CD1 4.26Å; H308-F343 HydrophobicContact CB-CD2 4.29Å; H308-F343 HydrophobicContact CB-CE1 3.73Å; H308-F343 HydrophobicContact CB-CE2 3.82Å; H308-F343 HydrophobicContact CB-CG 4.49Å; H308-F343 HydrophobicContact CB-CZ 3.49Å; H308-F343 VanDerWaalsContact CB-CZ 3.49Å; H308-R346 PolarHBondContact O-NH2 3.32Å
309V96.4Very high96.6Very high1 Ų118 Ų181%0.00610%0.097CC..SBendtrans-82.7155.8178.2-61.60000113.9E307 L328 L340 F343 E425 L426E307-V309 HydrophobicContact CB-CG2 3.81Å; E307-V309 PolarHBondContact O-N 2.79Å; V309-L328 HydrophobicContact CG2-CD2 4.32Å; V309-L340 HydrophobicContact CG1-CD2 3.83Å; V309-F343 HydrophobicContact CG1-CE1 4.24Å; V309-E425 CarbonylContact C-O 3.46Å; V309-E425 WeakPolarHBondContact CA-O 3.45Å; V309-E425 HydrophobicContact CB-CG 3.81Å; V309-E425 HydrophobicContact CG1-CG 3.89Å; V309-L426 HydrophobicContact CG1-CD2 3.99Å
310D98.1Very high96.3Very high2 Ų219.8 Ų19.81%0.01111%0.106CC..  trans-86.2113.8163.3-170.9-14000110.4P330 R348 Y362 Y387 E425D310-P330 HydrophobicContact CB-CB 4.39Å; D310-P330 HydrophobicContact CB-CG 4.15Å; D310-R348 IonicContact OD1-CZ 3.9Å; D310-R348 IonicContact OD1-NH1 3.24Å; D310-R348 IonicContact OD1-NH2 2.72Å; D310-R348 PolarHBondContact OD1-NH2 2.98Å; D310-R348 IonicContact OD2-NH2 3.35Å; D310-R348 PolarHBondContact OD2-NH2 3.46Å; D310-Y362 PolarHBondContact OD1-OH 2.8Å; D310-Y387 VanDerWaalsContact CG-OH 3.24Å; D310-Y387 PolarHBondContact OD1-OH 3.37Å; D310-Y387 VanDerWaalsContact OD2-CE1 3.27Å; D310-Y387 WeakPolarHBondContact OD2-CE1 3.4Å; D310-Y387 PolarHBondContact OD2-OH 3.15Å; D310-E425 PolarHBondContact N-O 2.92Å
311S97.6Very high96.1Very high1 Ų123.8 Ų23.81%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-159.1179.8179.6-159.10000115.4E271 R313 L328 Y421E271-S311 WeakPolarHBondContact OE1-CB 3.35Å; E271-S311 PolarHBondContact OE1-OG 2.88Å; S311-R313 PolarHBondContact OG-NH1 2.78Å; S311-L328 PolarHBondContact O-N 3.13Å; S311-Y421 PolarHBondContact OG-OH 3.17Å
312F98.1Very high96Very high10 Ų1024.3 Ų24.34%0.04413%0.13CC..EExtended strand (participates in β ladder)trans-138.8164.3174.668.9-84.9000111.9L314 L326 F327 L403 L406 F410 M459F312-L314 HydrophobicContact CD2-CG 4.46Å; F312-L314 HydrophobicContact CE2-CG 4.19Å; F312-L326 CarbonylContact C-O 3.5Å; F312-L326 VanDerWaalsContact CA-O 3.27Å; F312-L326 WeakPolarHBondContact CA-O 3.44Å; F312-L326 WeakPolarHBondContact CB-O 3.4Å; F312-F327 HydrophobicContact CB-CD1 3.77Å; F312-F327 HydrophobicContact CB-CE1 3.85Å; F312-L403 HydrophobicContact CB-CD1 4.38Å; F312-L403 HydrophobicContact CD2-CB 4.25Å; F312-L403 HydrophobicContact CD2-CD1 3.86Å; F312-L403 HydrophobicContact CD2-CD2 4.47Å; F312-L403 HydrophobicContact CD2-CG 4.43Å; F312-L403 HydrophobicContact CE2-CB 4.03Å; F312-L403 HydrophobicContact CE2-CD1 4.46Å; F312-L403 HydrophobicContact CG-CD1 4.25Å; F312-L406 HydrophobicContact CE1-CD2 4.27Å; F312-L406 HydrophobicContact CZ-CD2 4.41Å; F312-F410 AromaticContact CE1-CE2 3.88Å; F312-F410 HydrophobicContact CE1-CE2 3.88Å; F312-F410 HydrophobicContact CE1-CZ 4.37Å; F312-F410 AromaticContact CZ-CE2 3.89Å; F312-F410 HydrophobicContact CZ-CE2 3.89Å; F312-M459 HydrophobicContact CE1-CE 4.28Å; F312-M459 HydrophobicContact CE1-SD 4.45Å; F312-M459 HydrophobicContact CZ-SD 4.22Å
313R98.1Very high96Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-130.4141.7170.3-51.2-72.8179.5-108.67.2109.2A269 E271 E307 S311 L326 L328 A458 M459 L462A269-R313 PolarHBondContact O-NH2 2.99Å; E271-R313 VanDerWaalsContact CD-NH1 3.3Å; E271-R313 IonicContact OE1-CZ 2.72Å; E271-R313 IonicContact OE1-NH1 3.52Å; E271-R313 PolarHBondContact OE1-NH1 3.45Å; E271-R313 IonicContact OE1-NH2 3.69Å; E271-R313 PolarHBondContact OE1-NH2 2.83Å; E271-R313 IonicContact OE2-CZ 3.58Å; E271-R313 IonicContact OE2-NH1 3.55Å; E271-R313 PolarHBondContact OE2-NH1 2.92Å; E271-R313 IonicContact OE2-NH2 2.67Å; E271-R313 PolarHBondContact OE2-NH2 3.31Å; E307-R313 IonicContact OE1-CZ 2.97Å; E307-R313 IonicContact OE1-NH2 3.23Å; E307-R313 PolarHBondContact OE1-NH2 2.88Å; E307-R313 IonicContact OE2-NH2 4Å; S311-R313 PolarHBondContact OG-NH1 2.78Å; R313-L326 HydrophobicContact CB-CB 4.18Å; R313-L326 HydrophobicContact CB-CD1 4.21Å; R313-L326 PolarHBondContact N-O 2.92Å; R313-L326 PolarHBondContact O-N 2.78Å; R313-L328 HydrophobicContact CG-CD1 3.84Å; R313-A458 WeakPolarHBondContact CD-O 3.45Å; R313-M459 CarbonylContact C-O 3.45Å; R313-M459 WeakPolarHBondContact CA-O 3.45Å; R313-L462 HydrophobicContact CB-CD1 3.99Å; R313-L462 HydrophobicContact CB-CD2 3.92Å; R313-L462 HydrophobicContact CG-CD2 4.12Å
314L97.6Very high95.9Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-94.8118.4173.4-73.8171.8000109.5F312 V316 L403 H404 W407 M459F312-L314 HydrophobicContact CD2-CG 4.46Å; F312-L314 HydrophobicContact CE2-CG 4.19Å; L314-V316 HydrophobicContact CB-CG2 4.28Å; L314-V316 PolarHBondContact O-N 2.87Å; L314-L403 HydrophobicContact CD2-CB 3.66Å; L314-H404 HydrophobicContact CD1-CB 4.22Å; L314-H404 HydrophobicContact CD2-CB 4.45Å; L314-W407 HydrophobicContact CD1-CB 3.85Å; L314-W407 HydrophobicContact CD1-CD2 4.45Å; L314-W407 HydrophobicContact CD1-CG 3.93Å; L314-M459 PolarHBondContact N-O 3.26Å
315L97.1Very high95.9Very high1 Ų127.3 Ų27.31%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-82.1115.9171.3-167.972000109V289 L292 I293 L299 P322 V323 A324 L462V289-L315 HydrophobicContact CG1-CD1 4.02Å; L292-L315 HydrophobicContact CB-CD1 4.18Å; L292-L315 HydrophobicContact CB-CD2 3.57Å; I293-L315 HydrophobicContact CD1-CD1 4.4Å; I293-L315 HydrophobicContact CG1-CD1 3.85Å; I293-L315 HydrophobicContact CG1-CD2 4.06Å; I293-L315 HydrophobicContact CG1-CG 3.76Å; L299-L315 HydrophobicContact CD1-CD2 4.48Å; L315-P322 CarbonylContact O-C 3.2Å; L315-V323 HydrophobicContact CB-CG2 4.45Å; L315-V323 HydrophobicContact CD2-CG2 4.17Å; L315-V323 HydrophobicContact CG-CG2 4.15Å; L315-V323 WeakPolarHBondContact O-CG2 3.4Å; L315-V323 PolarHBondContact O-N 2.84Å; L315-A324 HydrophobicContact CB-CB 3.97Å; L315-A324 WeakPolarHBondContact CB-O 3.36Å; L315-A324 HydrophobicContact CD2-CB 3.82Å; L315-A324 PolarHBondContact N-O 2.91Å; L315-A324 PolarHBondContact O-N 3.34Å; L315-L462 HydrophobicContact CD1-CD1 4.12Å
316V95.9Very high95.9Very high25 Ų2527.3 Ų27.315%0.15215%0.149CC..EExtended strand (participates in β ladder)trans-114133.7-174.5-176.10000110.2I293 L314 I321 R460I293-V316 VanDerWaalsContact CD1-O 3.26Å; I293-V316 WeakPolarHBondContact CD1-O 3.44Å; L314-V316 HydrophobicContact CB-CG2 4.28Å; L314-V316 PolarHBondContact O-N 2.87Å; V316-I321 CarbonylContact C-O 3.59Å; V316-I321 WeakPolarHBondContact CA-O 3.06Å; V316-R460 HydrophobicContact CG2-CG 3.91Å
317S94.1Very high95.9Very high21 Ų2126.4 Ų26.415%0.14715%0.145CC..  trans-75.4165.1176.877.50000112.3S319 N320 I321S317-S319 PolarHBondContact O-N 2.82Å; S317-S319 PolarHBondContact OG-N 3.29Å; S317-N320 WeakPolarHBondContact O-CA 3.23Å; S317-N320 PolarHBondContact O-N 3.39Å; S317-I321 PolarHBondContact N-O 3.32Å; S317-I321 PolarHBondContact OG-N 3.3Å
318K89.7Confident96.1Very high170 Ų17026.2 Ų26.274%0.73914%0.144SC*.THydrogen-bonded Turntrans-57.4-19.5174.3-64.8177.5-177.61720113.5N290 N320N290-K318 VanDerWaalsContact OD1-CE 3.27Å; N290-K318 WeakPolarHBondContact OD1-CE 3.36Å; N290-K318 PolarHBondContact OD1-NZ 3.1Å; K318-N320 VanDerWaalsContact C-N 3.29Å
319S91.3Very high96.2Very high95 Ų9526 Ų2666%0.66414%0.143SC*.THydrogen-bonded Turntrans-87.813172.6-45.30000113.9S317 I321S317-S319 PolarHBondContact O-N 2.82Å; S317-S319 PolarHBondContact OG-N 3.29Å; S319-I321 VanDerWaalsContact C-N 3.26Å; S319-I321 PolarHBondContact O-N 3.21Å
320N88.9Confident96.2Very high46 Ų4625.9 Ų25.925%0.24614%0.143CC..SBendtrans62.321.7-176.6-156.211.9000115.2S317 K318 R460 N506S317-N320 WeakPolarHBondContact O-CA 3.23Å; S317-N320 PolarHBondContact O-N 3.39Å; K318-N320 VanDerWaalsContact C-N 3.29Å; N320-R460 PolarHBondContact O-NH2 3.12Å; N320-R460 PolarHBondContact OD1-NH2 2.84Å; N320-N506 PolarHBondContact ND2-ND2 2.97Å; N320-N506 VanDerWaalsContact ND2-ND2 3.15Å
321I94.1Very high96.2Very high96 Ų9625.8 Ų25.849%0.49214%0.142SC..  trans-93.4129.9179.5-58.1173.4000109.3V316 S317 S319 V323V316-I321 CarbonylContact C-O 3.59Å; V316-I321 WeakPolarHBondContact CA-O 3.06Å; S317-I321 PolarHBondContact N-O 3.32Å; S317-I321 PolarHBondContact OG-N 3.3Å; S319-I321 VanDerWaalsContact C-N 3.26Å; S319-I321 PolarHBondContact O-N 3.21Å; I321-V323 HydrophobicContact CG2-CG1 4.41Å; I321-V323 PolarHBondContact O-N 2.85Å
322P96.1Very high96.3Very high12 Ų1225.8 Ų25.88%0.07814%0.142CC..EExtended strand (participates in β ladder)trans-72.1111.9174.431.8-35.3000110L315 S400 H404L315-P322 CarbonylContact O-C 3.2Å; P322-S400 WeakPolarHBondContact O-CB 3.42Å; P322-S400 PolarHBondContact O-OG 3.18Å; P322-H404 HydrophobicContact CB-CB 4.14Å; P322-H404 HydrophobicContact CG-CB 3.92Å
323V97.3Very high96.2Very high47 Ų4725.3 Ų25.329%0.28514%0.14SC..EExtended strand (participates in β ladder)trans-103.6-27.3-171.2-70.30000114.7A296 L315 I321A296-V323 HydrophobicContact CB-CB 3.74Å; A296-V323 HydrophobicContact CB-CG2 3.81Å; L315-V323 HydrophobicContact CB-CG2 4.45Å; L315-V323 HydrophobicContact CD2-CG2 4.17Å; L315-V323 HydrophobicContact CG-CG2 4.15Å; L315-V323 WeakPolarHBondContact O-CG2 3.4Å; L315-V323 PolarHBondContact O-N 2.84Å; I321-V323 HydrophobicContact CG2-CG1 4.41Å; I321-V323 PolarHBondContact O-N 2.85Å
324A97.4Very high96.1Very high8 Ų825.3 Ų25.37%0.06614%0.14CC..EExtended strand (participates in β ladder)trans-148.7164.7173.200000111.8A296 L299 L315A296-A324 HydrophobicContact CB-CB 4.24Å; L299-A324 HydrophobicContact CD1-CB 4.04Å; L315-A324 HydrophobicContact CB-CB 3.97Å; L315-A324 WeakPolarHBondContact CB-O 3.36Å; L315-A324 HydrophobicContact CD2-CB 3.82Å; L315-A324 PolarHBondContact N-O 2.91Å; L315-A324 PolarHBondContact O-N 3.34Å
325S97.7Very high95.9Very high7 Ų726 Ų265%0.04914%0.143CC..EExtended strand (participates in β ladder)trans-105.1147.6168.341.90000110.1T301 G302 L398 L403T301-S325 PolarHBondContact OG1-O 2.84Å; G302-S325 PolarHBondContact N-O 2.87Å; S325-L398 WeakPolarHBondContact CB-O 3.31Å; S325-L398 PolarHBondContact OG-O 3.21Å; S325-L403 VanDerWaalsContact CB-CD1 3.45Å
326L98.5Very high95.6Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-129.3143.9169.6-42.8173.5000107.6P267 L292 G302 F304 F312 R313 L462P267-L326 HydrophobicContact CG-CD1 3.73Å; L292-L326 HydrophobicContact CD1-CD2 4.4Å; G302-L326 WeakPolarHBondContact O-CA 3.36Å; F304-L326 HydrophobicContact CD2-CB 4.18Å; F304-L326 HydrophobicContact CE2-CB 3.94Å; F304-L326 HydrophobicContact CE2-CD1 4.06Å; F304-L326 HydrophobicContact CE2-CD2 4.15Å; F304-L326 HydrophobicContact CE2-CG 4.27Å; F312-L326 CarbonylContact C-O 3.5Å; F312-L326 VanDerWaalsContact CA-O 3.27Å; F312-L326 WeakPolarHBondContact CA-O 3.44Å; F312-L326 WeakPolarHBondContact CB-O 3.4Å; R313-L326 HydrophobicContact CB-CB 4.18Å; R313-L326 HydrophobicContact CB-CD1 4.21Å; R313-L326 PolarHBondContact N-O 2.92Å; R313-L326 PolarHBondContact O-N 2.78Å; L326-L462 HydrophobicContact CD1-CD1 3.73Å
327F98.7Very high95.3Very high2 Ų230.6 Ų30.61%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-122.2143.3179.1-65.6-80.9000112.2T301 G302 L303 F304 F312 Y350 L359 Y362 L398 L403T301-F327 WeakPolarHBondContact OG1-CD2 3.39Å; G302-F327 PolarHBondContact O-N 2.87Å; L303-F327 CarbonylContact C-O 3.6Å; L303-F327 HydrophobicContact CD2-CB 4.11Å; F304-F327 PolarHBondContact N-O 3.26Å; F312-F327 HydrophobicContact CB-CD1 3.77Å; F312-F327 HydrophobicContact CB-CE1 3.85Å; F327-Y350 WeakPolarHBondContact CB-OH 3.49Å; F327-Y350 HydrophobicContact CD2-CE1 4.43Å; F327-Y350 HydrophobicContact CG-CE1 4.49Å; F327-L359 HydrophobicContact CD2-CD2 4.18Å; F327-L359 HydrophobicContact CE2-CD2 3.73Å; F327-Y362 AromaticContact CD1-CE1 3.82Å; F327-Y362 HydrophobicContact CD1-CE1 3.82Å; F327-Y362 AromaticContact CE1-CE1 3.91Å; F327-Y362 HydrophobicContact CE1-CE1 3.91Å; F327-L398 HydrophobicContact CE1-CD1 4.29Å; F327-L398 HydrophobicContact CE1-CD2 4.39Å; F327-L398 HydrophobicContact CE2-CB 4.2Å; F327-L398 HydrophobicContact CE2-CD1 4.15Å; F327-L398 HydrophobicContact CZ-CB 3.83Å; F327-L398 HydrophobicContact CZ-CD1 3.73Å; F327-L398 HydrophobicContact CZ-CD2 4.02Å; F327-L398 HydrophobicContact CZ-CG 4.06Å; F327-L403 HydrophobicContact CE1-CD1 3.93Å; F327-L403 HydrophobicContact CZ-CD1 3.59Å
328L98.4Very high94.7Very high1 Ų134 Ų341%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-99.3139.3169.6-76.267.4000108.4P266 F304 E307 V309 S311 R313 R348P266-L328 HydrophobicContact CB-CD1 4.14Å; P266-L328 HydrophobicContact CB-CD2 4.38Å; P266-L328 HydrophobicContact CB-CG 4.23Å; P266-L328 HydrophobicContact CG-CD2 4.13Å; P266-L328 HydrophobicContact CG-CG 4.38Å; F304-L328 HydrophobicContact CB-CG 4.46Å; F304-L328 CarbonylContact O-C 3.5Å; F304-L328 WeakPolarHBondContact O-CA 3.1Å; E307-L328 HydrophobicContact CB-CD2 4.1Å; E307-L328 HydrophobicContact CG-CD2 3.91Å; E307-L328 VanDerWaalsContact OE1-CD2 3.24Å; E307-L328 WeakPolarHBondContact OE1-CD2 3.41Å; V309-L328 HydrophobicContact CG2-CD2 4.32Å; S311-L328 PolarHBondContact O-N 3.13Å; R313-L328 HydrophobicContact CG-CD1 3.84Å; L328-R348 PolarHBondContact O-NH1 2.99Å
329M98.1Very high94.4Very high0 Ų026.8 Ų26.80%015%0.152CC..PPolyproline II helixtrans-99.9123.9179179.663.5-155.400109.5H29 F304 A305 R348H29-M329 HydrophobicContact CB-SD 4.09Å; H29-M329 VanDerWaalsContact CE1-CB 3.44Å; H29-M329 WeakPolarHBondContact CE1-CB 3.41Å; H29-M329 WeakPolarHBondContact O-CE 3.38Å; F304-M329 WeakPolarHBondContact O-CB 3.48Å; F304-M329 PolarHBondContact O-N 3.16Å; A305-M329 HydrophobicContact CB-CB 4.19Å; M329-R348 HydrophobicContact CE-CB 3.83Å; M329-R348 HydrophobicContact SD-CB 3.53Å; M329-R348 VanDerWaalsContact SD-CB 3.53Å; M329-R348 HydrophobicContact SD-CG 4.46Å
330P98.2Very high94.2Very high0 Ų022.4 Ų22.40%012%0.121CC..PPolyproline II helixtrans-67158.817325.9-34.4000112.6H308 D310 R346H308-P330 VanDerWaalsContact O-CA 3.27Å; H308-P330 WeakPolarHBondContact O-CA 3.21Å; H308-P330 WeakPolarHBondContact O-CB 3.17Å; D310-P330 HydrophobicContact CB-CB 4.39Å; D310-P330 HydrophobicContact CB-CG 4.15Å; P330-R346 HydrophobicContact CB-CB 3.96Å; P330-R346 VanDerWaalsContact CB-NH2 3.33Å; P330-R346 HydrophobicContact CG-CB 3.73Å; P330-R346 HydrophobicContact CG-CG 4.41Å
331S98.1Very high94.2Very high0 Ų020.5 Ų20.50%011%0.113CC..PPolyproline II helixtrans-73.7155.8-175.457.60000115H308 S333 R346H308-S331 VanDerWaalsContact CG-CB 3.42Å; H308-S331 WeakPolarHBondContact ND1-CB 3.1Å; H308-S331 PolarHBondContact ND1-OG 3.02Å; H308-S331 PolarHBondContact O-N 2.89Å; S331-S333 WeakPolarHBondContact CB-O 3.3Å; S331-S333 PolarHBondContact OG-O 3.13Å; S331-R346 PolarHBondContact O-N 3.17Å
332I98Very high93.9Very high1 Ų117.1 Ų17.11%0.00510%0.096CC..SBendtrans-85.7-31.1159.8-70.5163.8000109.9L30 S31 D32 I33 A63 P345 R346 I347L30-I332 HydrophobicContact CB-CD1 4.12Å; L30-I332 HydrophobicContact CD2-CD1 4.12Å; S31-I332 PolarHBondContact O-N 2.88Å; D32-I332 PolarHBondContact O-N 3.12Å; D32-I332 VanDerWaalsContact O-N 3.13Å; I33-I332 HydrophobicContact CG1-CB 4.48Å; I33-I332 HydrophobicContact CG1-CD1 3.92Å; A63-I332 HydrophobicContact CB-CD1 4.18Å; A63-I332 HydrophobicContact CB-CG1 4.37Å; A63-I332 HydrophobicContact CB-CG2 3.9Å; I332-P345 WeakPolarHBondContact O-CB 3.43Å; I332-P345 WeakPolarHBondContact O-CG 3.33Å; I332-R346 VanDerWaalsContact CG1-O 3.32Å; I332-R346 WeakPolarHBondContact CG1-O 3.16Å; I332-I347 HydrophobicContact CD1-CG2 3.96Å; I332-I347 HydrophobicContact CG1-CG2 3.94Å
333S96.9Very high93.7Very high0 Ų016.5 Ų16.50%09%0.092CC..  trans-65.4130171.1-168.40000111.6D32 D54 S55 S331 L335D32-S333 PolarHBondContact O-N 3.17Å; D54-S333 WeakPolarHBondContact CA-OG 3.18Å; D54-S333 PolarHBondContact OD1-OG 3.04Å; S55-S333 WeakPolarHBondContact OG-CA 3.27Å; S331-S333 WeakPolarHBondContact CB-O 3.3Å; S331-S333 PolarHBondContact OG-O 3.13Å; S333-L335 VanDerWaalsContact C-N 3.28Å
334P95.3Very high93.7Very high0 Ų014.4 Ų14.40%08%0.079CC..  trans-84.70.5177.135.4-34.9000113.7Y51 L59 M336 F343 P345 L369Y51-P334 HydrophobicContact CD1-CB 4.09Å; L59-P334 HydrophobicContact CD2-CG 4.42Å; P334-M336 PolarHBondContact O-N 3.43Å; P334-F343 VanDerWaalsContact CA-O 3.29Å; P334-F343 WeakPolarHBondContact CA-O 3.46Å; P334-F343 WeakPolarHBondContact CB-O 3.22Å; P334-P345 HydrophobicContact CB-CG 4.03Å; P334-P345 HydrophobicContact CG-CG 4.48Å; P334-L369 HydrophobicContact CB-CD2 3.49Å; P334-L369 VanDerWaalsContact CB-CD2 3.49Å; P334-L369 HydrophobicContact CG-CD2 3.75Å
335L93.7Very high93.7Very high13 Ų1314 Ų147%0.0688%0.076CC..  trans-49.7127.9-170.1179.764.1000112.4Y51 H87 S333 L337 F343 F858Y51-L335 CarbonylContact O-C 3.51Å; Y51-L335 WeakPolarHBondContact O-CA 3.26Å; H87-L335 HydrophobicContact CB-CD2 4.26Å; H87-L335 VanDerWaalsContact ND1-CD2 3.29Å; H87-L335 WeakPolarHBondContact ND1-CD2 3.06Å; S333-L335 VanDerWaalsContact C-N 3.28Å; L335-L337 HydrophobicContact CD2-CD2 4.29Å; L335-L337 HydrophobicContact CG-CD2 4.39Å; L335-L337 PolarHBondContact O-N 3.36Å; L335-F343 VanDerWaalsContact O-CD2 3.26Å; L335-F343 WeakPolarHBondContact O-CD2 3.44Å; L335-F343 WeakPolarHBondContact O-CE2 3.36Å; L335-F858 HydrophobicContact CD1-CZ 4.06Å
336M91.3Very high93.7Very high103 Ų10313.7 Ų13.751%0.5077%0.074SC..  trans-68.4120.5175.9-173-16573.200109.6Y51 P334 G341 D342Y51-M336 WeakPolarHBondContact O-CB 3.38Å; Y51-M336 PolarHBondContact O-N 3.43Å; P334-M336 PolarHBondContact O-N 3.43Å; M336-G341 CarbonylContact C-O 3.54Å; M336-G341 WeakPolarHBondContact CA-O 3.44Å; M336-D342 HydrophobicContact CB-CB 3.94Å; M336-D342 HydrophobicContact CG-CB 4.04Å
337L89.6Confident93.7Very high20 Ų2013.7 Ų13.711%0.1057%0.074CC..BIsolated β-bridgetrans-103.7114.5179.3-69.3-179.9000108.3H308 L335 L340 G341 F343 F624H308-L337 HydrophobicContact CB-CD1 4.08Å; L335-L337 HydrophobicContact CD2-CD2 4.29Å; L335-L337 HydrophobicContact CG-CD2 4.39Å; L335-L337 PolarHBondContact O-N 3.36Å; L337-L340 PolarHBondContact O-N 3Å; L337-L340 VanDerWaalsContact O-N 3.08Å; L337-G341 PolarHBondContact N-O 3.09Å; L337-G341 PolarHBondContact O-N 3.21Å; L337-F343 HydrophobicContact CB-CE2 3.92Å; L337-F343 HydrophobicContact CB-CZ 4.29Å; L337-F343 HydrophobicContact CD1-CE2 3.53Å; L337-F343 HydrophobicContact CD1-CZ 3.83Å; L337-F343 HydrophobicContact CG-CE2 3.73Å; L337-F343 HydrophobicContact CG-CZ 4.35Å; L337-F624 HydrophobicContact CB-CB 4.44Å; L337-F624 HydrophobicContact CB-CD1 3.92Å; L337-F624 HydrophobicContact CB-CD2 3.51Å; L337-F624 HydrophobicContact CB-CE1 4.17Å; L337-F624 HydrophobicContact CB-CE2 3.76Å; L337-F624 HydrophobicContact CB-CG 3.62Å; L337-F624 HydrophobicContact CB-CZ 4.08Å; L337-F624 HydrophobicContact CD1-CD2 3.84Å; L337-F624 HydrophobicContact CD1-CE2 3.37Å; L337-F624 HydrophobicContact CD1-CZ 3.92Å; L337-F624 HydrophobicContact CD2-CD2 3.81Å; L337-F624 HydrophobicContact CD2-CE2 4.2Å; L337-F624 HydrophobicContact CG-CD2 3.88Å; L337-F624 HydrophobicContact CG-CE2 3.93Å; L337-F624 HydrophobicContact CG-CG 4.47Å
338H82.4Confident93.7Very high93 Ų9313.6 Ų13.643%0.4317%0.073SC..THydrogen-bonded Turntrans-51.3143.6-171.5178.8-89.8000112.1L340 F624 H625H338-L340 PolarHBondContact O-N 3.11Å; H338-F624 CarbonylContact C-O 3.55Å; H338-F624 HydrophobicContact CB-CB 4.24Å; H338-F624 WeakPolarHBondContact CB-O 3.35Å; H338-F624 PolarHBondContact ND1-O 2.8Å; H338-F624 CarbonylContact O-C 3.59Å; H338-F624 WeakPolarHBondContact O-CB 3.36Å; H338-F624 VanDerWaalsContact O-CD1 3.26Å; H338-F624 WeakPolarHBondContact O-CD1 3.4Å; H338-H625 AromaticContact CE1-NE2 4Å; H338-H625 AromaticContact ND1-CD2 3.71Å; H338-H625 AromaticContact ND1-NE2 3.9Å
339G81.7Confident93.7Very high18 Ų1813.8 Ų13.819%0.1867%0.074CC..THydrogen-bonded Turntrans59.25.2-178.300000116.6K434G339-K434 WeakPolarHBondContact O-CE 3.12Å; G339-K434 PolarHBondContact O-NZ 2.86Å
340L88Confident93.7Very high3 Ų313.8 Ų13.82%0.0167%0.074CC..THydrogen-bonded Turntrans-119.7-51.2167.3176.260000111.9N272 V309 L337 H338 F343 L426 H431 A432 F624N272-L340 HydrophobicContact CB-CD1 3.9Å; N272-L340 WeakPolarHBondContact OD1-CD1 3.32Å; V309-L340 HydrophobicContact CG1-CD2 3.83Å; L337-L340 PolarHBondContact O-N 3Å; L337-L340 VanDerWaalsContact O-N 3.08Å; H338-L340 PolarHBondContact O-N 3.11Å; L340-F343 HydrophobicContact CD2-CE1 4.08Å; L340-F343 HydrophobicContact CD2-CZ 3.73Å; L340-F343 HydrophobicContact CG-CZ 4.41Å; L340-L426 HydrophobicContact CD1-CD2 3.95Å; L340-L426 HydrophobicContact CD2-CD2 4.14Å; L340-L426 HydrophobicContact CG-CD2 3.91Å; L340-H431 CarbonylContact O-C 3.5Å; L340-H431 WeakPolarHBondContact O-CA 3.22Å; L340-A432 PolarHBondContact O-N 3.07Å; L340-F624 HydrophobicContact CB-CD1 3.55Å; L340-F624 HydrophobicContact CB-CE1 3.37Å; L340-F624 HydrophobicContact CB-CZ 4.43Å; L340-F624 HydrophobicContact CD2-CD1 4.36Å; L340-F624 HydrophobicContact CD2-CE1 3.35Å; L340-F624 HydrophobicContact CD2-CZ 3.7Å; L340-F624 HydrophobicContact CG-CE1 3.96Å
341G89.1Confident93.7Very high7 Ų715.8 Ų15.87%0.0728%0.082CC..BIsolated β-bridgetrans140.1-170.1-17900000112.9M336 L337M336-G341 CarbonylContact C-O 3.54Å; M336-G341 WeakPolarHBondContact CA-O 3.44Å; L337-G341 PolarHBondContact N-O 3.09Å; L337-G341 PolarHBondContact O-N 3.21Å
342D88.6Confident93.5Very high24 Ų2415.8 Ų15.813%0.1288%0.082CC..  trans-103.9166.6169.360.111.5000111.8Y51 M336 R429Y51-D342 WeakPolarHBondContact CB-OD2 3.4Å; Y51-D342 HydrophobicContact CD1-CB 3.76Å; Y51-D342 WeakPolarHBondContact CD2-OD2 3.47Å; Y51-D342 HydrophobicContact CG-CB 3.89Å; Y51-D342 VanDerWaalsContact CG-OD2 3.23Å; M336-D342 HydrophobicContact CB-CB 3.94Å; M336-D342 HydrophobicContact CG-CB 4.04Å; D342-R429 VanDerWaalsContact CG-NH2 3.33Å; D342-R429 WeakPolarHBondContact O-CB 3.37Å; D342-R429 WeakPolarHBondContact O-CG 3.33Å; D342-R429 WeakPolarHBondContact OD1-CB 3.36Å; D342-R429 IonicContact OD1-CZ 3.55Å; D342-R429 IonicContact OD1-NE 3.56Å; D342-R429 PolarHBondContact OD1-NE 2.96Å; D342-R429 IonicContact OD1-NH2 2.78Å; D342-R429 PolarHBondContact OD1-NH2 3.22Å; D342-R429 VanDerWaalsContact OD1-NH2 3.14Å; D342-R429 IonicContact OD2-CZ 2.96Å; D342-R429 IonicContact OD2-NE 3.54Å; D342-R429 IonicContact OD2-NH2 3.2Å; D342-R429 PolarHBondContact OD2-NH2 3.07Å
343F92.1Very high93.3Very high0 Ų018.5 Ų18.50%010%0.095CC..  trans-128.6142.1-174.3-48.8-91.5000111.8Y51 H308 V309 P334 L335 L337 L340 R346 L426Y51-F343 WeakPolarHBondContact CD1-O 3.49Å; Y51-F343 VanDerWaalsContact CE1-O 3.24Å; Y51-F343 WeakPolarHBondContact CE1-O 3.4Å; H308-F343 HydrophobicContact CB-CD1 4.26Å; H308-F343 HydrophobicContact CB-CD2 4.29Å; H308-F343 HydrophobicContact CB-CE1 3.73Å; H308-F343 HydrophobicContact CB-CE2 3.82Å; H308-F343 HydrophobicContact CB-CG 4.49Å; H308-F343 HydrophobicContact CB-CZ 3.49Å; H308-F343 VanDerWaalsContact CB-CZ 3.49Å; V309-F343 HydrophobicContact CG1-CE1 4.24Å; P334-F343 VanDerWaalsContact CA-O 3.29Å; P334-F343 WeakPolarHBondContact CA-O 3.46Å; P334-F343 WeakPolarHBondContact CB-O 3.22Å; L335-F343 VanDerWaalsContact O-CD2 3.26Å; L335-F343 WeakPolarHBondContact O-CD2 3.44Å; L335-F343 WeakPolarHBondContact O-CE2 3.36Å; L337-F343 HydrophobicContact CB-CE2 3.92Å; L337-F343 HydrophobicContact CB-CZ 4.29Å; L337-F343 HydrophobicContact CD1-CE2 3.53Å; L337-F343 HydrophobicContact CD1-CZ 3.83Å; L337-F343 HydrophobicContact CG-CE2 3.73Å; L337-F343 HydrophobicContact CG-CZ 4.35Å; L340-F343 HydrophobicContact CD2-CE1 4.08Å; L340-F343 HydrophobicContact CD2-CZ 3.73Å; L340-F343 HydrophobicContact CG-CZ 4.41Å; F343-R346 VanDerWaalsContact CD1-NH2 3.29Å; F343-L426 WeakPolarHBondContact CA-O 3.39Å; F343-L426 HydrophobicContact CD1-CB 4.38Å; F343-L426 HydrophobicContact CD1-CD2 3.84Å; F343-L426 HydrophobicContact CE1-CD2 3.43Å; F343-L426 VanDerWaalsContact CE1-CD2 3.43Å; F343-L426 HydrophobicContact CZ-CD2 4.31Å
344N96.2Very high93Very high3 Ų320.9 Ų20.92%0.01610%0.103CC..  trans-77.1136.4159.5-81.4-42.3000110.4Y51 R346 Y366 F367 L369 L426 G427Y51-N344 PolarHBondContact OH-OD1 3.04Å; N344-R346 WeakPolarHBondContact O-CG 3.39Å; N344-R346 PolarHBondContact O-N 3.22Å; N344-R346 PolarHBondContact O-NE 3.15Å; N344-Y366 HydrophobicContact CB-CD2 3.78Å; N344-F367 WeakPolarHBondContact CB-O 3.37Å; N344-F367 PolarHBondContact OD1-O 3.45Å; N344-L369 PolarHBondContact OD1-N 2.93Å; N344-L369 VanDerWaalsContact OD1-N 3.07Å; N344-L426 PolarHBondContact N-O 3.34Å; N344-G427 PolarHBondContact ND2-O 3.27Å
345P97.4Very high92.6Very high0 Ų022.9 Ų22.90%012%0.118CC..  trans-55.9132.3174.8-28.136.4000112.2L59 I332 P334 Y366 F367 W383L59-P345 HydrophobicContact CD1-CB 4.08Å; L59-P345 HydrophobicContact CD1-CG 4.02Å; L59-P345 HydrophobicContact CD2-CB 4.11Å; L59-P345 HydrophobicContact CD2-CG 3.65Å; L59-P345 HydrophobicContact CG-CG 4.44Å; I332-P345 WeakPolarHBondContact O-CB 3.43Å; I332-P345 WeakPolarHBondContact O-CG 3.33Å; P334-P345 HydrophobicContact CB-CG 4.03Å; P334-P345 HydrophobicContact CG-CG 4.48Å; P345-Y366 CarbonylContact O-C 3.45Å; P345-Y366 VanDerWaalsContact O-CA 3.3Å; P345-Y366 WeakPolarHBondContact O-CA 3.24Å; P345-F367 HydrophobicContact CB-CB 4.05Å; P345-F367 HydrophobicContact CG-CB 4.35Å; P345-F367 PolarHBondContact O-N 3.28Å; P345-W383 HydrophobicContact CB-CH2 4.02Å; P345-W383 WeakPolarHBondContact O-CZ3 3.15Å
346R97.7Very high92.4Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-133.3143.8-169.2-87167.6-66.1154.217.5113.2H308 P330 S331 I332 F343 N344 Y365 E386 Y424 E425 G427H308-R346 PolarHBondContact O-NH2 3.32Å; P330-R346 HydrophobicContact CB-CB 3.96Å; P330-R346 VanDerWaalsContact CB-NH2 3.33Å; P330-R346 HydrophobicContact CG-CB 3.73Å; P330-R346 HydrophobicContact CG-CG 4.41Å; S331-R346 PolarHBondContact O-N 3.17Å; I332-R346 VanDerWaalsContact CG1-O 3.32Å; I332-R346 WeakPolarHBondContact CG1-O 3.16Å; F343-R346 VanDerWaalsContact CD1-NH2 3.29Å; N344-R346 WeakPolarHBondContact O-CG 3.39Å; N344-R346 PolarHBondContact O-N 3.22Å; N344-R346 PolarHBondContact O-NE 3.15Å; R346-Y365 VanDerWaalsContact CA-O 3.3Å; R346-Y365 WeakPolarHBondContact CA-O 3.3Å; R346-E386 VanDerWaalsContact CD-OE2 3.29Å; R346-E386 WeakPolarHBondContact CD-OE2 3.09Å; R346-Y424 PolarHBondContact NH1-O 2.87Å; R346-Y424 VanDerWaalsContact NH1-O 3.13Å; R346-E425 PolarHBondContact NH1-O 2.87Å; R346-G427 VanDerWaalsContact NH1-N 3.17Å
347I97.9Very high92.5Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-138.7140.6176.163.3-176.9000110.6W28 L30 A63 T67 L70 I332 Q364 Y365 W383W28-I347 HydrophobicContact CH2-CD1 4.47Å; W28-I347 HydrophobicContact CZ3-CB 4.27Å; W28-I347 HydrophobicContact CZ3-CD1 4.16Å; W28-I347 HydrophobicContact CZ3-CG1 3.91Å; L30-I347 HydrophobicContact CD2-CB 3.81Å; L30-I347 HydrophobicContact CD2-CG2 3.49Å; L30-I347 VanDerWaalsContact CD2-CG2 3.49Å; A63-I347 HydrophobicContact CB-CG2 4.16Å; T67-I347 HydrophobicContact CG2-CD1 4.28Å; L70-I347 HydrophobicContact CD1-CD1 3.92Å; I332-I347 HydrophobicContact CD1-CG2 3.96Å; I332-I347 HydrophobicContact CG1-CG2 3.94Å; I347-Q364 PolarHBondContact O-NE2 2.7Å; I347-Q364 VanDerWaalsContact O-NE2 3.13Å; I347-Y365 PolarHBondContact N-O 2.74Å; I347-Y365 WeakPolarHBondContact O-CB 3.36Å; I347-Y365 PolarHBondContact O-N 3.33Å; I347-W383 HydrophobicContact CB-CZ3 4.27Å; I347-W383 HydrophobicContact CD1-CD2 4.16Å; I347-W383 HydrophobicContact CD1-CE3 3.81Å; I347-W383 HydrophobicContact CD1-CH2 4.35Å; I347-W383 HydrophobicContact CD1-CZ3 3.93Å; I347-W383 HydrophobicContact CG1-CE3 3.83Å; I347-W383 HydrophobicContact CG1-CH2 4.31Å; I347-W383 HydrophobicContact CG1-CZ3 3.64Å; I347-W383 HydrophobicContact CG2-CH2 3.89Å; I347-W383 HydrophobicContact CG2-CZ3 4.02Å
348R98.5Very high92.7Very high0 Ų021.7 Ų21.70%012%0.118CC..EExtended strand (participates in β ladder)trans-123.3130.9-167.2-176.3176.1-69.7178.5-1.9113.3W28 H29 D310 L328 M329 Y350 Y362W28-R348 CarbonylContact C-O 3.58Å; W28-R348 WeakPolarHBondContact CA-O 3.49Å; W28-R348 VanDerWaalsContact CE3-C 3.47Å; H29-R348 HydrophobicContact CB-CB 4.5Å; H29-R348 PolarHBondContact N-O 2.92Å; H29-R348 PolarHBondContact O-N 3.11Å; D310-R348 IonicContact OD1-CZ 3.9Å; D310-R348 IonicContact OD1-NH1 3.24Å; D310-R348 IonicContact OD1-NH2 2.72Å; D310-R348 PolarHBondContact OD1-NH2 2.98Å; D310-R348 IonicContact OD2-NH2 3.35Å; D310-R348 PolarHBondContact OD2-NH2 3.46Å; L328-R348 PolarHBondContact O-NH1 2.99Å; M329-R348 HydrophobicContact CE-CB 3.83Å; M329-R348 HydrophobicContact SD-CB 3.53Å; M329-R348 VanDerWaalsContact SD-CB 3.53Å; M329-R348 HydrophobicContact SD-CG 4.46Å; R348-Y350 VanDerWaalsContact CD-OH 3.29Å; R348-Y350 WeakPolarHBondContact CD-OH 3.47Å; R348-Y350 HydrophobicContact CG-CD2 4.06Å; R348-Y350 HydrophobicContact CG-CE2 3.8Å; R348-Y350 PolarHBondContact NH1-OH 2.75Å; R348-Y350 VanDerWaalsContact NH1-OH 3.16Å; R348-Y362 HydrophobicContact CG-CD2 3.8Å; R348-Y362 HydrophobicContact CG-CG 3.86Å
349L98.6Very high93.4Very high5 Ų517.5 Ų17.53%0.02610%0.098CC..EExtended strand (participates in β ladder)trans-107.8108.7173.4-18063000110Y26 W28 F71 Y362 S363 Y365Y26-L349 HydrophobicContact CD1-CD1 4.45Å; Y26-L349 HydrophobicContact CD1-CD2 4.41Å; Y26-L349 HydrophobicContact CD1-CG 4.4Å; W28-L349 HydrophobicContact CD2-CB 4.27Å; W28-L349 HydrophobicContact CD2-CD1 4.04Å; W28-L349 HydrophobicContact CE3-CB 4.01Å; W28-L349 HydrophobicContact CG-CD1 4.24Å; W28-L349 HydrophobicContact CH2-CB 3.94Å; W28-L349 HydrophobicContact CZ2-CB 4.22Å; W28-L349 HydrophobicContact CZ2-CD1 4.34Å; W28-L349 HydrophobicContact CZ2-CD2 4.33Å; W28-L349 HydrophobicContact CZ3-CB 3.83Å; F71-L349 HydrophobicContact CB-CD2 4.14Å; F71-L349 HydrophobicContact CD1-CD1 4.35Å; F71-L349 HydrophobicContact CD1-CD2 4.47Å; F71-L349 HydrophobicContact CD2-CD2 3.47Å; F71-L349 VanDerWaalsContact CD2-CD2 3.47Å; F71-L349 HydrophobicContact CE2-CD2 3.9Å; F71-L349 HydrophobicContact CG-CD1 4.43Å; F71-L349 HydrophobicContact CG-CD2 3.79Å; L349-Y362 CarbonylContact O-C 3.5Å; L349-Y362 WeakPolarHBondContact O-CA 3.1Å; L349-Y362 VanDerWaalsContact O-CB 3.3Å; L349-Y362 WeakPolarHBondContact O-CB 3.48Å; L349-S363 PolarHBondContact N-O 3.35Å; L349-S363 PolarHBondContact O-N 3.19Å; L349-Y365 HydrophobicContact CB-CE2 4.11Å
350Y98.7Very high94.1Very high0 Ų018.2 Ų18.20%010%0.098CC..EExtended strand (participates in β ladder)trans-83.5153.3172.7-70.9-88.8000111.6Y26 F27 H29 L303 F327 R348 L359 Y362Y26-Y350 VanDerWaalsContact CA-O 3.32Å; Y26-Y350 WeakPolarHBondContact CA-O 3.42Å; F27-Y350 AromaticContact CD2-CD2 3.9Å; F27-Y350 HydrophobicContact CD2-CD2 3.9Å; F27-Y350 HydrophobicContact CD2-CG 4.32Å; F27-Y350 VanDerWaalsContact CE1-CB 3.42Å; F27-Y350 HydrophobicContact CE1-CG 4.08Å; F27-Y350 AromaticContact CE2-CD2 3.25Å; F27-Y350 HydrophobicContact CE2-CD2 3.25Å; F27-Y350 AromaticContact CE2-CE2 3.97Å; F27-Y350 HydrophobicContact CE2-CE2 3.97Å; F27-Y350 AromaticContact CE2-CG 3.59Å; F27-Y350 HydrophobicContact CE2-CG 3.59Å; F27-Y350 HydrophobicContact CZ-CD1 4.12Å; F27-Y350 AromaticContact CZ-CD2 3.66Å; F27-Y350 HydrophobicContact CZ-CD2 3.66Å; F27-Y350 HydrophobicContact CZ-CE2 4.44Å; F27-Y350 AromaticContact CZ-CG 3.45Å; F27-Y350 HydrophobicContact CZ-CG 3.45Å; F27-Y350 VanDerWaalsContact CZ-CG 3.45Å; F27-Y350 PolarHBondContact N-O 2.8Å; F27-Y350 VanDerWaalsContact N-O 3.12Å; F27-Y350 PolarHBondContact O-N 3.39Å; H29-Y350 HydrophobicContact CB-CD2 3.99Å; H29-Y350 HydrophobicContact CB-CE2 3.59Å; H29-Y350 AromaticContact ND1-CE2 3.53Å; L303-Y350 HydrophobicContact CD2-CE1 4.17Å; L303-Y350 HydrophobicContact CD2-CE2 4.09Å; L303-Y350 WeakPolarHBondContact CD2-OH 3.28Å; F327-Y350 WeakPolarHBondContact CB-OH 3.49Å; F327-Y350 HydrophobicContact CD2-CE1 4.43Å; F327-Y350 HydrophobicContact CG-CE1 4.49Å; R348-Y350 VanDerWaalsContact CD-OH 3.29Å; R348-Y350 WeakPolarHBondContact CD-OH 3.47Å; R348-Y350 HydrophobicContact CG-CD2 4.06Å; R348-Y350 HydrophobicContact CG-CE2 3.8Å; R348-Y350 PolarHBondContact NH1-OH 2.75Å; R348-Y350 VanDerWaalsContact NH1-OH 3.16Å; Y350-L359 HydrophobicContact CD1-CD1 3.93Å; Y350-L359 HydrophobicContact CD1-CD2 4.06Å; Y350-L359 HydrophobicContact CD1-CG 4.43Å; Y350-L359 HydrophobicContact CE1-CD2 4.23Å; Y350-L359 HydrophobicContact CG-CD1 4.45Å; Y350-Y362 AromaticContact CD1-CD1 3.78Å; Y350-Y362 HydrophobicContact CD1-CD1 3.78Å; Y350-Y362 HydrophobicContact CD1-CG 4.15Å; Y350-Y362 AromaticContact CE1-CD1 3.4Å; Y350-Y362 HydrophobicContact CE1-CD1 3.4Å; Y350-Y362 VanDerWaalsContact CE1-CD1 3.4Å; Y350-Y362 HydrophobicContact CE1-CE1 4.14Å; Y350-Y362 HydrophobicContact CE1-CG 4.05Å
351R97.3Very high94.6Very high41 Ų4118 Ų1816%0.15510%0.097CC..EExtended strand (participates in β ladder)trans-135.4131.1176.950-161.4-177.477-2.3111I24 G25 Y26 L360 G361 D388 M390I24-R351 HydrophobicContact CG2-CB 4.45Å; G25-R351 CarbonylContact O-C 3.49Å; G25-R351 WeakPolarHBondContact O-CA 3.32Å; Y26-R351 HydrophobicContact CD1-CB 3.83Å; Y26-R351 HydrophobicContact CE1-CB 3.76Å; R351-L360 WeakPolarHBondContact O-CB 3.3Å; R351-L360 PolarHBondContact O-N 2.87Å; R351-G361 WeakPolarHBondContact CG-O 3.3Å; R351-G361 PolarHBondContact N-O 3.26Å; R351-G361 PolarHBondContact O-N 3.16Å; R351-D388 IonicContact CZ-OD1 3.11Å; R351-D388 IonicContact CZ-OD2 2.87Å; R351-D388 IonicContact NE-OD2 3.64Å; R351-D388 PolarHBondContact NE-OD2 2.82Å; R351-D388 VanDerWaalsContact NE-OD2 3.12Å; R351-D388 IonicContact NH2-OD1 3.71Å; R351-D388 PolarHBondContact NH2-OD1 3.37Å; R351-D388 IonicContact NH2-OD2 3.57Å; R351-D388 PolarHBondContact NH2-OD2 3.4Å; R351-M390 PolarHBondContact NH1-SD 3.09Å; R351-M390 PolarHBondContact NH2-SD 2.63Å
352F95.8Very high95Very high0 Ų018.1 Ų18.10%010%0.095CC..EExtended strand (participates in β ladder)trans-139.6162.4-171.771-84.3000111.6I24 G25 F27 D76 F77 M300 R354 M357 T358 L359I24-F352 CarbonylContact C-O 3.58Å; I24-F352 WeakPolarHBondContact CA-O 3.26Å; G25-F352 PolarHBondContact N-O 2.95Å; G25-F352 VanDerWaalsContact O-CD1 3.3Å; G25-F352 WeakPolarHBondContact O-CD1 3.44Å; G25-F352 PolarHBondContact O-N 3.35Å; F27-F352 AromaticContact CD1-CD1 3.71Å; F27-F352 HydrophobicContact CD1-CD1 3.71Å; F27-F352 AromaticContact CD1-CE1 3.83Å; F27-F352 HydrophobicContact CD1-CE1 3.83Å; F27-F352 AromaticContact CE1-CD1 3.98Å; F27-F352 HydrophobicContact CE1-CD1 3.98Å; F27-F352 HydrophobicContact CE1-CE1 4.48Å; D76-F352 HydrophobicContact CB-CZ 4.33Å; F77-F352 HydrophobicContact CE1-CE1 4.06Å; F77-F352 HydrophobicContact CE1-CZ 4.1Å; M300-F352 HydrophobicContact CE-CB 3.55Å; M300-F352 HydrophobicContact CE-CD1 4.02Å; M300-F352 HydrophobicContact CE-CD2 4.03Å; M300-F352 HydrophobicContact CE-CG 3.62Å; F352-R354 HydrophobicContact CE2-CG 3.97Å; F352-R354 HydrophobicContact CZ-CG 4.41Å; F352-M357 HydrophobicContact CD2-SD 3.88Å; F352-M357 HydrophobicContact CE2-SD 3.58Å; F352-M357 VanDerWaalsContact CE2-SD 3.58Å; F352-T358 CarbonylContact C-O 3.55Å; F352-T358 VanDerWaalsContact CA-O 3.31Å; F352-T358 WeakPolarHBondContact CA-O 3.42Å; F352-T358 WeakPolarHBondContact CB-O 3.41Å; F352-L359 HydrophobicContact CB-CD1 4.16Å
353Q93.1Very high95.5Very high59 Ų5917.7 Ų17.728%0.2769%0.094SC..EExtended strand (participates in β ladder)trans-93.1119.3174.1-174.8-178.927.900110.5D23 S355 T356 M357 T358 L360D23-Q353 CarbonylContact O-C 3.54Å; D23-Q353 WeakPolarHBondContact O-CA 3.08Å; D23-Q353 WeakPolarHBondContact OD2-CG 3.4Å; D23-Q353 PolarHBondContact OD2-NE2 2.99Å; Q353-S355 VanDerWaalsContact C-N 3.35Å; Q353-S355 WeakPolarHBondContact CG-OG 3.37Å; Q353-S355 PolarHBondContact NE2-OG 2.91Å; Q353-S355 VanDerWaalsContact NE2-OG 3.14Å; Q353-S355 PolarHBondContact O-N 3.44Å; Q353-T356 WeakPolarHBondContact CB-OG1 3.37Å; Q353-T356 PolarHBondContact O-N 3.4Å; Q353-T356 PolarHBondContact OE1-OG1 3.3Å; Q353-M357 WeakPolarHBondContact O-CA 3.49Å; Q353-M357 PolarHBondContact O-N 3.4Å; Q353-T358 PolarHBondContact N-O 2.67Å; Q353-L360 HydrophobicContact CB-CD1 4.3Å
354R90Very high95.8Very high49 Ų4917.7 Ų17.719%0.1859%0.094CC..THydrogen-bonded Turntrans-64-35-177.4-66.1-173.5-179.892.39.6113D22 D23 I24 D76 F352 T356 M357D22-R354 PolarHBondContact O-NH1 2.84Å; D23-R354 PolarHBondContact O-N 3.17Å; I24-R354 VanDerWaalsContact C-NH1 3.29Å; I24-R354 VanDerWaalsContact O-CZ 3.29Å; I24-R354 PolarHBondContact O-NH1 3.39Å; I24-R354 PolarHBondContact O-NH2 3.28Å; D76-R354 VanDerWaalsContact CG-NH2 3.26Å; D76-R354 IonicContact OD1-CZ 3.62Å; D76-R354 VanDerWaalsContact OD1-CZ 3.25Å; D76-R354 IonicContact OD1-NE 3.1Å; D76-R354 PolarHBondContact OD1-NE 3.21Å; D76-R354 IonicContact OD1-NH2 3.49Å; D76-R354 PolarHBondContact OD1-NH2 2.84Å; D76-R354 IonicContact OD2-CZ 3.43Å; D76-R354 IonicContact OD2-NE 2.69Å; D76-R354 IonicContact OD2-NH2 2.73Å; D76-R354 PolarHBondContact OD2-NH2 3.16Å; F352-R354 HydrophobicContact CE2-CG 3.97Å; F352-R354 HydrophobicContact CZ-CG 4.41Å; R354-T356 VanDerWaalsContact C-N 3.32Å; R354-T356 PolarHBondContact O-N 2.94Å; R354-M357 VanDerWaalsContact O-CE 3.29Å; R354-M357 WeakPolarHBondContact O-CE 3.35Å
355S87.4Confident95.9Very high43 Ų4319.1 Ų19.130%0.30110%0.099SC..THydrogen-bonded Turntrans-68.1-25.1-179.361.30000115D23 Q353D23-S355 VanDerWaalsContact OD1-CB 3.25Å; D23-S355 WeakPolarHBondContact OD1-CB 3.44Å; D23-S355 PolarHBondContact OD1-N 3.34Å; D23-S355 PolarHBondContact OD1-OG 2.84Å; D23-S355 WeakPolarHBondContact OD2-CB 3.11Å; D23-S355 PolarHBondContact OD2-OG 3Å; Q353-S355 VanDerWaalsContact C-N 3.35Å; Q353-S355 WeakPolarHBondContact CG-OG 3.37Å; Q353-S355 PolarHBondContact NE2-OG 2.91Å; Q353-S355 VanDerWaalsContact NE2-OG 3.14Å; Q353-S355 PolarHBondContact O-N 3.44Å
356T89.2Confident95.9Very high55 Ų5521.2 Ų21.234%0.33711%0.107SC..THydrogen-bonded Turntrans-122-15.8-174.756.40000114Q353 R354 T358Q353-T356 WeakPolarHBondContact CB-OG1 3.37Å; Q353-T356 PolarHBondContact O-N 3.4Å; Q353-T356 PolarHBondContact OE1-OG1 3.3Å; R354-T356 VanDerWaalsContact C-N 3.32Å; R354-T356 PolarHBondContact O-N 2.94Å; T356-T358 PolarHBondContact O-N 3.19Å; T356-T358 WeakPolarHBondContact OG1-CB 3.36Å; T356-T358 PolarHBondContact OG1-N 3.12Å; T356-T358 PolarHBondContact OG1-OG1 3.22Å; T356-T358 VanDerWaalsContact OG1-OG1 3.12Å
357M93Very high95.7Very high1 Ų121.2 Ų21.21%0.00511%0.107CC..THydrogen-bonded Turntrans52.129.1-162.8-52.7-62.5170.700113.5Y203 S212 L214 K258 M300 F352 Q353 R354Y203-M357 HydrophobicContact CD2-CE 3.42Å; Y203-M357 VanDerWaalsContact CD2-CE 3.42Å; Y203-M357 HydrophobicContact CE2-CE 3.53Å; Y203-M357 HydrophobicContact CG-CE 4.2Å; S212-M357 WeakPolarHBondContact O-CE 3.13Å; L214-M357 HydrophobicContact CB-CE 4.28Å; L214-M357 HydrophobicContact CB-SD 4.35Å; L214-M357 HydrophobicContact CD1-CG 4.38Å; K258-M357 HydrophobicContact CB-CB 3.85Å; K258-M357 HydrophobicContact CB-CG 3.94Å; K258-M357 HydrophobicContact CG-CB 3.94Å; K258-M357 HydrophobicContact CG-CG 4.27Å; M300-M357 VanDerWaalsContact CG-O 3.32Å; M300-M357 WeakPolarHBondContact CG-O 3.41Å; M300-M357 HydrophobicContact SD-CB 4.19Å; F352-M357 HydrophobicContact CD2-SD 3.88Å; F352-M357 HydrophobicContact CE2-SD 3.58Å; F352-M357 VanDerWaalsContact CE2-SD 3.58Å; Q353-M357 WeakPolarHBondContact O-CA 3.49Å; Q353-M357 PolarHBondContact O-N 3.4Å; R354-M357 VanDerWaalsContact O-CE 3.29Å; R354-M357 WeakPolarHBondContact O-CE 3.35Å
358T93.7Very high95.4Very high55 Ų5522.4 Ų22.434%0.33711%0.114SC..EExtended strand (participates in β ladder)trans-73.3125.2170.3-61.30000109.6F352 Q353 T356 L360 D397F352-T358 CarbonylContact C-O 3.55Å; F352-T358 VanDerWaalsContact CA-O 3.31Å; F352-T358 WeakPolarHBondContact CA-O 3.42Å; F352-T358 WeakPolarHBondContact CB-O 3.41Å; Q353-T358 PolarHBondContact N-O 2.67Å; T356-T358 PolarHBondContact O-N 3.19Å; T356-T358 WeakPolarHBondContact OG1-CB 3.36Å; T356-T358 PolarHBondContact OG1-N 3.12Å; T356-T358 PolarHBondContact OG1-OG1 3.22Å; T356-T358 VanDerWaalsContact OG1-OG1 3.12Å; T358-L360 HydrophobicContact CG2-CD2 4.24Å; T358-D397 HydrophobicContact CG2-CB 4.43Å
359L96.9Very high95.1Very high5 Ų522.6 Ų22.63%0.02612%0.115CC..EExtended strand (participates in β ladder)trans-76121.7173.3-167.568.5000109.9F27 M300 T301 F327 Y350 F352 L398F27-L359 HydrophobicContact CE1-CD1 4.03Å; F27-L359 HydrophobicContact CZ-CD1 4.21Å; M300-L359 HydrophobicContact CE-CD1 3.88Å; T301-L359 HydrophobicContact CG2-CD2 3.89Å; F327-L359 HydrophobicContact CD2-CD2 4.18Å; F327-L359 HydrophobicContact CE2-CD2 3.73Å; Y350-L359 HydrophobicContact CD1-CD1 3.93Å; Y350-L359 HydrophobicContact CD1-CD2 4.06Å; Y350-L359 HydrophobicContact CD1-CG 4.43Å; Y350-L359 HydrophobicContact CE1-CD2 4.23Å; Y350-L359 HydrophobicContact CG-CD1 4.45Å; F352-L359 HydrophobicContact CB-CD1 4.16Å; L359-L398 HydrophobicContact CB-CB 4.29Å; L359-L398 HydrophobicContact CD2-CB 4Å; L359-L398 HydrophobicContact CD2-CD1 3.76Å; L359-L398 HydrophobicContact CG-CB 4.09Å; L359-L398 HydrophobicContact CG-CD1 3.97Å; L359-L398 PolarHBondContact O-N 3.29Å
360L97.3Very high94.6Very high32 Ų3228.3 Ų28.317%0.16814%0.142CC..EExtended strand (participates in β ladder)trans-97.2-31.8-171.8-58.5174.8000112.6I24 R351 Q353 T358 M390 D397I24-L360 HydrophobicContact CD1-CD1 3.86Å; R351-L360 WeakPolarHBondContact O-CB 3.3Å; R351-L360 PolarHBondContact O-N 2.87Å; Q353-L360 HydrophobicContact CB-CD1 4.3Å; T358-L360 HydrophobicContact CG2-CD2 4.24Å; L360-M390 HydrophobicContact CB-CE 4.5Å; L360-M390 WeakPolarHBondContact O-CE 3.02Å; L360-D397 WeakPolarHBondContact O-CA 3.27Å
361G97.9Very high93.9Very high0 Ų033.6 Ų33.60%017%0.17CC..EExtended strand (participates in β ladder)trans176.1176.8-175.100000112.1R351 T389 L398R351-G361 WeakPolarHBondContact CG-O 3.3Å; R351-G361 PolarHBondContact N-O 3.26Å; R351-G361 PolarHBondContact O-N 3.16Å; G361-T389 VanDerWaalsContact CA-OG1 3.29Å; G361-T389 WeakPolarHBondContact CA-OG1 3.05Å; G361-L398 VanDerWaalsContact CA-CD1 3.47Å
362Y98.6Very high93.4Very high8 Ų833 Ų333%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-138.1158.5154.758.1-98.3000111.3D310 F327 R348 L349 Y350 Q364 Y387 T389 L398D310-Y362 PolarHBondContact OD1-OH 2.8Å; F327-Y362 AromaticContact CD1-CE1 3.82Å; F327-Y362 HydrophobicContact CD1-CE1 3.82Å; F327-Y362 AromaticContact CE1-CE1 3.91Å; F327-Y362 HydrophobicContact CE1-CE1 3.91Å; R348-Y362 HydrophobicContact CG-CD2 3.8Å; R348-Y362 HydrophobicContact CG-CG 3.86Å; L349-Y362 CarbonylContact O-C 3.5Å; L349-Y362 WeakPolarHBondContact O-CA 3.1Å; L349-Y362 VanDerWaalsContact O-CB 3.3Å; L349-Y362 WeakPolarHBondContact O-CB 3.48Å; Y350-Y362 AromaticContact CD1-CD1 3.78Å; Y350-Y362 HydrophobicContact CD1-CD1 3.78Å; Y350-Y362 HydrophobicContact CD1-CG 4.15Å; Y350-Y362 AromaticContact CE1-CD1 3.4Å; Y350-Y362 HydrophobicContact CE1-CD1 3.4Å; Y350-Y362 VanDerWaalsContact CE1-CD1 3.4Å; Y350-Y362 HydrophobicContact CE1-CE1 4.14Å; Y350-Y362 HydrophobicContact CE1-CG 4.05Å; Y362-Q364 HydrophobicContact CD2-CB 4.34Å; Y362-Q364 HydrophobicContact CE2-CB 4.33Å; Y362-Y387 HydrophobicContact CE2-CE2 4.05Å; Y362-Y387 AromaticContact CE2-CZ 3.82Å; Y362-Y387 WeakPolarHBondContact CE2-OH 3.29Å; Y362-Y387 PolarHBondContact OH-OH 3.01Å; Y362-T389 HydrophobicContact CD1-CG2 3.87Å; Y362-T389 HydrophobicContact CD2-CG2 3.85Å; Y362-T389 HydrophobicContact CE1-CG2 3.64Å; Y362-T389 HydrophobicContact CE2-CG2 3.6Å; Y362-T389 HydrophobicContact CG-CG2 3.97Å; Y362-T389 VanDerWaalsContact CZ-CG2 3.49Å; Y362-T389 PolarHBondContact N-OG1 3.22Å; Y362-T389 PolarHBondContact O-N 3.47Å; Y362-T389 PolarHBondContact O-OG1 3.48Å; Y362-L398 HydrophobicContact CD1-CD1 3.65Å; Y362-L398 HydrophobicContact CE1-CD1 4.08Å
363S98.3Very high92.4Very high16 Ų1635.5 Ų35.511%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-108120.7167.5-46.60000107.4L349 D388L349-S363 PolarHBondContact N-O 3.35Å; L349-S363 PolarHBondContact O-N 3.19Å; S363-D388 PolarHBondContact OG-OD2 2.99Å
364Q98.5Very high91.3Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-93130.1-179.8-177.157.957.800108.9I347 Y362 E386 Y387I347-Q364 PolarHBondContact O-NE2 2.7Å; I347-Q364 VanDerWaalsContact O-NE2 3.13Å; Y362-Q364 HydrophobicContact CD2-CB 4.34Å; Y362-Q364 HydrophobicContact CE2-CB 4.33Å; Q364-E386 HydrophobicContact CB-CB 4.34Å; Q364-E386 HydrophobicContact CG-CB 4.14Å; Q364-E386 VanDerWaalsContact CG-OE2 3.26Å; Q364-E386 WeakPolarHBondContact CG-OE2 3.43Å; Q364-E386 WeakPolarHBondContact O-CB 3.27Å; Q364-E386 PolarHBondContact O-N 2.83Å; Q364-Y387 HydrophobicContact CB-CD1 3.79Å; Q364-Y387 HydrophobicContact CB-CE1 3.61Å; Q364-Y387 HydrophobicContact CB-CG 4.47Å; Q364-Y387 HydrophobicContact CG-CD1 4.22Å; Q364-Y387 HydrophobicContact CG-CE1 3.84Å; Q364-Y387 PolarHBondContact N-O 2.89Å; Q364-Y387 PolarHBondContact O-N 2.84Å
365Y97.8Very high90.2Very high33 Ų3343.8 Ų43.813%0.12923%0.23CC..EExtended strand (participates in β ladder)trans-114.2147174.7-61.8-95.7000110.1W28 L70 R346 I347 L349 Q384 L385W28-Y365 AromaticContact CH2-CD2 3.86Å; W28-Y365 HydrophobicContact CH2-CD2 3.86Å; W28-Y365 AromaticContact CH2-CE2 3.84Å; W28-Y365 HydrophobicContact CH2-CE2 3.84Å; W28-Y365 AromaticContact CZ3-CD2 3.97Å; W28-Y365 HydrophobicContact CZ3-CD2 3.97Å; W28-Y365 HydrophobicContact CZ3-CE2 4.28Å; L70-Y365 HydrophobicContact CB-CE1 4.41Å; L70-Y365 HydrophobicContact CD1-CD1 3.86Å; L70-Y365 HydrophobicContact CD1-CE1 4.29Å; L70-Y365 HydrophobicContact CD1-CG 4Å; L70-Y365 HydrophobicContact CD2-CD1 4.11Å; L70-Y365 HydrophobicContact CD2-CE1 4.09Å; L70-Y365 HydrophobicContact CG-CD1 4.47Å; R346-Y365 VanDerWaalsContact CA-O 3.3Å; R346-Y365 WeakPolarHBondContact CA-O 3.3Å; I347-Y365 PolarHBondContact N-O 2.74Å; I347-Y365 WeakPolarHBondContact O-CB 3.36Å; I347-Y365 PolarHBondContact O-N 3.33Å; L349-Y365 HydrophobicContact CB-CE2 4.11Å; Y365-Q384 VanDerWaalsContact CA-O 3.26Å; Y365-Q384 WeakPolarHBondContact CA-O 3.4Å; Y365-L385 HydrophobicContact CD1-CB 4.38Å; Y365-L385 HydrophobicContact CD1-CD1 4.48Å; Y365-L385 HydrophobicContact CE1-CB 4.26Å; Y365-L385 HydrophobicContact CE1-CD1 4.15Å
366Y96.8Very high89.1Confident43 Ų4343 Ų4317%0.16922%0.222CC..EExtended strand (participates in β ladder)trans-135.8152.6177.284.7-68.5000112.5N344 P345 N368 W383 Q384 E386N344-Y366 HydrophobicContact CB-CD2 3.78Å; P345-Y366 CarbonylContact O-C 3.45Å; P345-Y366 VanDerWaalsContact O-CA 3.3Å; P345-Y366 WeakPolarHBondContact O-CA 3.24Å; Y366-N368 HydrophobicContact CD2-CB 4.36Å; Y366-N368 HydrophobicContact CE2-CB 3.75Å; Y366-W383 WeakPolarHBondContact O-CA 3.34Å; Y366-Q384 HydrophobicContact CD1-CG 3.73Å; Y366-Q384 HydrophobicContact CE1-CG 3.41Å; Y366-Q384 VanDerWaalsContact CE1-CG 3.41Å; Y366-Q384 PolarHBondContact N-O 3.32Å; Y366-Q384 PolarHBondContact O-N 3.21Å; Y366-Q384 PolarHBondContact OH-NE2 2.95Å; Y366-Q384 VanDerWaalsContact OH-NE2 3.09Å; Y366-E386 HydrophobicContact CD1-CB 3.56Å; Y366-E386 HydrophobicContact CD1-CG 3.76Å; Y366-E386 HydrophobicContact CE1-CB 4.19Å; Y366-E386 HydrophobicContact CE1-CG 4.14Å; Y366-E386 HydrophobicContact CG-CB 4.25Å; Y366-E386 HydrophobicContact CG-CG 4.24Å
367F94.8Very high88Confident0 Ų046.9 Ų46.90%025%0.246CC..EExtended strand (participates in β ladder)trans-96.8117.5165.8-171.4-61.7000107.4Y48 L59 N62 N344 P345 L369 Q372 H382 W383Y48-F367 VanDerWaalsContact CB-CZ 3.49Å; Y48-F367 AromaticContact CD1-CE2 3.6Å; Y48-F367 HydrophobicContact CD1-CE2 3.6Å; Y48-F367 AromaticContact CD1-CZ 3.78Å; Y48-F367 HydrophobicContact CD1-CZ 3.78Å; Y48-F367 HydrophobicContact CD2-CE2 4.5Å; Y48-F367 AromaticContact CD2-CZ 3.9Å; Y48-F367 HydrophobicContact CD2-CZ 3.9Å; Y48-F367 HydrophobicContact CE1-CE2 4.1Å; Y48-F367 HydrophobicContact CE1-CZ 4.43Å; Y48-F367 HydrophobicContact CG-CE1 4.5Å; Y48-F367 AromaticContact CG-CE2 3.83Å; Y48-F367 HydrophobicContact CG-CE2 3.83Å; Y48-F367 AromaticContact CG-CZ 3.47Å; Y48-F367 HydrophobicContact CG-CZ 3.47Å; Y48-F367 VanDerWaalsContact CG-CZ 3.47Å; L59-F367 HydrophobicContact CD1-CD2 4.09Å; L59-F367 HydrophobicContact CD1-CE2 4.38Å; L59-F367 HydrophobicContact CD1-CG 4.47Å; N62-F367 WeakPolarHBondContact OD1-CE2 3.33Å; N344-F367 WeakPolarHBondContact CB-O 3.37Å; N344-F367 PolarHBondContact OD1-O 3.45Å; P345-F367 HydrophobicContact CB-CB 4.05Å; P345-F367 HydrophobicContact CG-CB 4.35Å; P345-F367 PolarHBondContact O-N 3.28Å; F367-L369 HydrophobicContact CD1-CB 4.36Å; F367-L369 HydrophobicContact CD1-CD1 4.17Å; F367-L369 HydrophobicContact CE1-CD1 3.92Å; F367-L369 PolarHBondContact O-N 2.88Å; F367-L369 VanDerWaalsContact O-N 3.15Å; F367-Q372 HydrophobicContact CE1-CB 4.09Å; F367-Q372 HydrophobicContact CZ-CB 4.28Å; F367-H382 WeakPolarHBondContact CA-O 3.41Å; F367-H382 HydrophobicContact CD1-CB 4.04Å; F367-H382 HydrophobicContact CD2-CB 3.53Å; F367-H382 HydrophobicContact CE1-CB 3.78Å; F367-H382 AromaticContact CE1-CG 3.97Å; F367-H382 HydrophobicContact CE2-CB 3.29Å; F367-H382 AromaticContact CE2-CG 3.61Å; F367-H382 AromaticContact CE2-ND1 3.56Å; F367-H382 HydrophobicContact CG-CB 3.89Å; F367-H382 HydrophobicContact CZ-CB 3.4Å; F367-H382 VanDerWaalsContact CZ-CB 3.4Å; F367-H382 AromaticContact CZ-CG 3.36Å; F367-H382 AromaticContact CZ-ND1 3.44Å; F367-H382 WeakPolarHBondContact CZ-ND1 3.29Å; F367-W383 HydrophobicContact CB-CD2 4.12Å; F367-W383 HydrophobicContact CB-CE3 4.18Å; F367-W383 HydrophobicContact CB-CH2 3.98Å; F367-W383 HydrophobicContact CB-CZ2 3.91Å; F367-W383 HydrophobicContact CB-CZ3 4.11Å; F367-W383 HydrophobicContact CD2-CD2 4.44Å; F367-W383 AromaticContact CD2-CE2 3.82Å; F367-W383 HydrophobicContact CD2-CZ2 4.12Å; F367-W383 AromaticContact CD2-NE1 3.59Å
368N92.2Very high86.7Confident26 Ų2649.7 Ų49.714%0.13926%0.261CS..  trans-77.3103.3171-173.8-29.7000109.4Y366 Q370 N371Y366-N368 HydrophobicContact CD2-CB 4.36Å; Y366-N368 HydrophobicContact CE2-CB 3.75Å; N368-Q370 VanDerWaalsContact C-N 3.28Å; N368-Q370 PolarHBondContact O-N 3.1Å; N368-Q370 WeakPolarHBondContact OD1-CB 2.41Å; N368-Q370 PolarHBondContact OD1-N 2.82Å; N368-Q370 VanDerWaalsContact OD1-N 3.14Å; N368-N371 HydrophobicContact CB-CB 4.4Å; N368-N371 PolarHBondContact O-N 3.32Å; N368-N371 VanDerWaalsContact O-N 3.11Å
369L91.2Very high85.1Confident3 Ų349.4 Ų49.42%0.01626%0.26CS..G310 helixtrans-71.5-20.8-170.4-16964000113.5Y48 Y51 P334 N344 F367 N371 Q372Y48-L369 WeakPolarHBondContact O-CD1 3.14Å; Y51-L369 HydrophobicContact CD1-CD2 3.98Å; Y51-L369 HydrophobicContact CE1-CB 3.93Å; Y51-L369 HydrophobicContact CE1-CD2 3.92Å; Y51-L369 HydrophobicContact CE1-CG 4.49Å; Y51-L369 HydrophobicContact CE2-CB 4.47Å; Y51-L369 HydrophobicContact CG-CD2 4.4Å; P334-L369 HydrophobicContact CB-CD2 3.49Å; P334-L369 VanDerWaalsContact CB-CD2 3.49Å; P334-L369 HydrophobicContact CG-CD2 3.75Å; N344-L369 PolarHBondContact OD1-N 2.93Å; N344-L369 VanDerWaalsContact OD1-N 3.07Å; F367-L369 HydrophobicContact CD1-CB 4.36Å; F367-L369 HydrophobicContact CD1-CD1 4.17Å; F367-L369 HydrophobicContact CE1-CD1 3.92Å; F367-L369 PolarHBondContact O-N 2.88Å; F367-L369 VanDerWaalsContact O-N 3.15Å; L369-N371 VanDerWaalsContact C-N 3.28Å; L369-N371 PolarHBondContact O-N 2.81Å; L369-Q372 WeakPolarHBondContact O-CG 3.26Å; L369-Q372 PolarHBondContact O-NE2 3.02Å
370Q87.5Confident83.3Confident126 Ų12652.7 Ų52.759%0.58928%0.277SS*.G310 helixtrans-68.6-26.9172-61.2179.2-65.700112.4Y51 N368 Q372 R429Y51-Q370 HydrophobicContact CE2-CG 3.85Å; N368-Q370 VanDerWaalsContact C-N 3.28Å; N368-Q370 PolarHBondContact O-N 3.1Å; N368-Q370 WeakPolarHBondContact OD1-CB 2.41Å; N368-Q370 PolarHBondContact OD1-N 2.82Å; N368-Q370 VanDerWaalsContact OD1-N 3.14Å; Q370-Q372 VanDerWaalsContact C-N 3.32Å; Q370-Q372 PolarHBondContact O-N 3.21Å; Q370-R429 VanDerWaalsContact OE1-NH1 3.09Å
371N85.7Confident81.7Confident110 Ų11056.3 Ų56.359%0.58830%0.297SS*.G310 helixtrans-88.86.1-176.2-67.3-7.3000113.6N368 L369N368-N371 HydrophobicContact CB-CB 4.4Å; N368-N371 PolarHBondContact O-N 3.32Å; N368-N371 VanDerWaalsContact O-N 3.11Å; L369-N371 VanDerWaalsContact C-N 3.28Å; L369-N371 PolarHBondContact O-N 2.81Å
372Q85.2Confident80.9Confident30 Ų3056.9 Ų56.914%0.1430%0.299CS..  trans-68.3143-177.376.5-176.6-73.200112.3P47 Y48 G49 F367 L369 Q370P47-Q372 VanDerWaalsContact CD-OE1 3.24Å; Y48-Q372 HydrophobicContact CD2-CB 4.21Å; G49-Q372 PolarHBondContact O-NE2 3.37Å; F367-Q372 HydrophobicContact CE1-CB 4.09Å; F367-Q372 HydrophobicContact CZ-CB 4.28Å; L369-Q372 WeakPolarHBondContact O-CG 3.26Å; L369-Q372 PolarHBondContact O-NE2 3.02Å; Q370-Q372 VanDerWaalsContact C-N 3.32Å; Q370-Q372 PolarHBondContact O-N 3.21Å
373S75.2Confident80.6Confident52 Ų5257.1 Ų57.136%0.36430%0.3SS..  trans-119.5140174.2-177.30000112.5N375 D376S373-N375 PolarHBondContact O-N 2.86Å; S373-N375 PolarHBondContact OG-N 3.33Å; S373-D376 PolarHBondContact O-N 3.31Å
374F69.9Low80.4Confident141 Ų14160.4 Ų60.462%0.61831%0.314SS*.THydrogen-bonded Turntrans-58.3-31.4167.9-72.9-81.9000112.5L46 P47L46-F374 HydrophobicContact CD2-CE2 4.09Å; L46-F374 HydrophobicContact CD2-CZ 3.78Å; P47-F374 HydrophobicContact CG-CD1 4.25Å
375N66.6Low80.2Confident141 Ų14164.7 Ų64.775%0.75434%0.336SS*.THydrogen-bonded Turntrans-99.713-176.3-68.8-22.3000113.2S373 T377S373-N375 PolarHBondContact O-N 2.86Å; S373-N375 PolarHBondContact OG-N 3.33Å; N375-T377 PolarHBondContact O-N 2.92Å
376D65.8Low80.2Confident25 Ų2564.1 Ų64.113%0.13434%0.335CS..  trans-64126.2176.6179.247000111.4S373 N378 N381 H382S373-D376 PolarHBondContact O-N 3.31Å; D376-N378 PolarHBondContact OD1-N 3.13Å; D376-N378 VanDerWaalsContact OD2-C 3.32Å; D376-N381 PolarHBondContact OD1-ND2 3.04Å; D376-H382 VanDerWaalsContact CG-CE1 3.43Å; D376-H382 IonicContact OD2-CE1 3.82Å; D376-H382 PolarHBondContact OD2-CE1 2.84Å; D376-H382 IonicContact OD2-ND1 2.72Å
377T64.9Low80.3Confident137 Ų13762.5 Ų62.584%0.8433%0.328SS*.  trans-110.2-7178.549.50000112.5N375N375-T377 PolarHBondContact O-N 2.92Å
378N66.6Low80.4Confident61 Ų6163.1 Ų63.133%0.32633%0.332SS..  trans-126.895.6-179.2178.532.5000111.1D376 L380 N381D376-N378 PolarHBondContact OD1-N 3.13Å; D376-N378 VanDerWaalsContact OD2-C 3.32Å; N378-L380 PolarHBondContact O-N 3.32Å; N378-N381 PolarHBondContact ND2-OD1 2.64Å; N378-N381 WeakPolarHBondContact O-CB 2.99Å; N378-N381 VanDerWaalsContact O-CG 3.31Å; N378-N381 PolarHBondContact O-N 3.25Å; N378-N381 PolarHBondContact O-ND2 2.8Å
379P59Low80.7Confident49 Ų4962 Ų6232%0.31833%0.326SS..THydrogen-bonded Turntrans-61.8-6.3-174.223.3-33.8000115.9N62N62-P379 WeakPolarHBondContact ND2-CB 3.06Å; N62-P379 PolarHBondContact ND2-O 2.71Å
380L59.7Low81Confident73 Ų7364.4 Ų64.438%0.38234%0.338SS..THydrogen-bonded Turntrans-70.4-28.3168.2-75.5168.6000113.6M69 N378 H382 W383M69-L380 HydrophobicContact CB-CD2 3.81Å; M69-L380 HydrophobicContact CE-CD1 3.99Å; M69-L380 HydrophobicContact CE-CD2 3.96Å; M69-L380 HydrophobicContact CE-CG 3.68Å; M69-L380 HydrophobicContact SD-CD2 4.43Å; N378-L380 PolarHBondContact O-N 3.32Å; L380-H382 PolarHBondContact O-N 2.88Å; L380-W383 PolarHBondContact O-N 2.86Å
381N64Low81.4Confident108 Ų10862.9 Ų62.958%0.57834%0.337SS*.THydrogen-bonded Turntrans-62.6-18-167.5-73-16000114.4D376 N378D376-N381 PolarHBondContact OD1-ND2 3.04Å; N378-N381 PolarHBondContact ND2-OD1 2.64Å; N378-N381 WeakPolarHBondContact O-CB 2.99Å; N378-N381 VanDerWaalsContact O-CG 3.31Å; N378-N381 PolarHBondContact O-N 3.25Å; N378-N381 PolarHBondContact O-ND2 2.8Å
382H81.3Confident81.9Confident13 Ų1358.8 Ų58.86%0.0632%0.316CS..THydrogen-bonded Turntrans-103.9-28-174.2-51.3124.8000114.3Y48 F367 D376 L380Y48-H382 AromaticContact CE2-CE1 3.62Å; Y48-H382 AromaticContact CZ-CE1 3.97Å; F367-H382 WeakPolarHBondContact CA-O 3.41Å; F367-H382 HydrophobicContact CD1-CB 4.04Å; F367-H382 HydrophobicContact CD2-CB 3.53Å; F367-H382 HydrophobicContact CE1-CB 3.78Å; F367-H382 AromaticContact CE1-CG 3.97Å; F367-H382 HydrophobicContact CE2-CB 3.29Å; F367-H382 AromaticContact CE2-CG 3.61Å; F367-H382 AromaticContact CE2-ND1 3.56Å; F367-H382 HydrophobicContact CG-CB 3.89Å; F367-H382 HydrophobicContact CZ-CB 3.4Å; F367-H382 VanDerWaalsContact CZ-CB 3.4Å; F367-H382 AromaticContact CZ-CG 3.36Å; F367-H382 AromaticContact CZ-ND1 3.44Å; F367-H382 WeakPolarHBondContact CZ-ND1 3.29Å; D376-H382 VanDerWaalsContact CG-CE1 3.43Å; D376-H382 IonicContact OD2-CE1 3.82Å; D376-H382 PolarHBondContact OD2-CE1 2.84Å; D376-H382 IonicContact OD2-ND1 2.72Å; L380-H382 PolarHBondContact O-N 2.88Å
383W92.5Very high82.5Confident12 Ų1258 Ų585%0.04531%0.312CS..EExtended strand (participates in β ladder)trans-90.3119.9-178.4-7393.8000111.1L59 N62 A63 S66 L70 P345 I347 Y366 F367 L380L59-W383 HydrophobicContact CD1-CZ2 4.46Å; N62-W383 PolarHBondContact OD1-NE1 2.71Å; A63-W383 HydrophobicContact CB-CH2 4.06Å; A63-W383 HydrophobicContact CB-CZ2 3.61Å; S66-W383 PolarHBondContact OG-NE1 3.34Å; L70-W383 HydrophobicContact CD1-CB 4.2Å; L70-W383 HydrophobicContact CD2-CB 4.42Å; P345-W383 HydrophobicContact CB-CH2 4.02Å; P345-W383 WeakPolarHBondContact O-CZ3 3.15Å; I347-W383 HydrophobicContact CB-CZ3 4.27Å; I347-W383 HydrophobicContact CD1-CD2 4.16Å; I347-W383 HydrophobicContact CD1-CE3 3.81Å; I347-W383 HydrophobicContact CD1-CH2 4.35Å; I347-W383 HydrophobicContact CD1-CZ3 3.93Å; I347-W383 HydrophobicContact CG1-CE3 3.83Å; I347-W383 HydrophobicContact CG1-CH2 4.31Å; I347-W383 HydrophobicContact CG1-CZ3 3.64Å; I347-W383 HydrophobicContact CG2-CH2 3.89Å; I347-W383 HydrophobicContact CG2-CZ3 4.02Å; Y366-W383 WeakPolarHBondContact O-CA 3.34Å; F367-W383 HydrophobicContact CB-CD2 4.12Å; F367-W383 HydrophobicContact CB-CE3 4.18Å; F367-W383 HydrophobicContact CB-CH2 3.98Å; F367-W383 HydrophobicContact CB-CZ2 3.91Å; F367-W383 HydrophobicContact CB-CZ3 4.11Å; F367-W383 HydrophobicContact CD2-CD2 4.44Å; F367-W383 AromaticContact CD2-CE2 3.82Å; F367-W383 HydrophobicContact CD2-CZ2 4.12Å; F367-W383 AromaticContact CD2-NE1 3.59Å; L380-W383 PolarHBondContact O-N 2.86Å
384Q92.6Very high83.5Confident86 Ų8662.2 Ų62.240%0.40233%0.325SS..EExtended strand (participates in β ladder)trans-135.4160-178.862.7-169.7-29.500111.1Y365 Y366 E386Y365-Q384 VanDerWaalsContact CA-O 3.26Å; Y365-Q384 WeakPolarHBondContact CA-O 3.4Å; Y366-Q384 HydrophobicContact CD1-CG 3.73Å; Y366-Q384 HydrophobicContact CE1-CG 3.41Å; Y366-Q384 VanDerWaalsContact CE1-CG 3.41Å; Y366-Q384 PolarHBondContact N-O 3.32Å; Y366-Q384 PolarHBondContact O-N 3.21Å; Y366-Q384 PolarHBondContact OH-NE2 2.95Å; Y366-Q384 VanDerWaalsContact OH-NE2 3.09Å; Q384-E386 PolarHBondContact O-N 3.16Å
385L95.9Very high84.7Confident90 Ų9056.2 Ų56.247%0.47130%0.3SS..EExtended strand (participates in β ladder)trans-64.9123.4171.7-176.673.4000108.5Y365 Y387Y365-L385 HydrophobicContact CD1-CB 4.38Å; Y365-L385 HydrophobicContact CD1-CD1 4.48Å; Y365-L385 HydrophobicContact CE1-CB 4.26Å; Y365-L385 HydrophobicContact CE1-CD1 4.15Å; L385-Y387 WeakPolarHBondContact CD1-O 3.48Å
386E97.1Very high86.1Confident20 Ų2053.9 Ų53.99%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-79.9-54.9172.2-164.3178.7176.800109.7R346 Q364 Y366 Q384 Y424 G427R346-E386 VanDerWaalsContact CD-OE2 3.29Å; R346-E386 WeakPolarHBondContact CD-OE2 3.09Å; Q364-E386 HydrophobicContact CB-CB 4.34Å; Q364-E386 HydrophobicContact CG-CB 4.14Å; Q364-E386 VanDerWaalsContact CG-OE2 3.26Å; Q364-E386 WeakPolarHBondContact CG-OE2 3.43Å; Q364-E386 WeakPolarHBondContact O-CB 3.27Å; Q364-E386 PolarHBondContact O-N 2.83Å; Y366-E386 HydrophobicContact CD1-CB 3.56Å; Y366-E386 HydrophobicContact CD1-CG 3.76Å; Y366-E386 HydrophobicContact CE1-CB 4.19Å; Y366-E386 HydrophobicContact CE1-CG 4.14Å; Y366-E386 HydrophobicContact CG-CB 4.25Å; Y366-E386 HydrophobicContact CG-CG 4.24Å; Q384-E386 PolarHBondContact O-N 3.16Å; E386-Y424 HydrophobicContact CG-CD1 3.68Å; E386-Y424 HydrophobicContact CG-CE1 3.9Å; E386-Y424 WeakPolarHBondContact OE1-CD1 3.5Å; E386-G427 WeakPolarHBondContact OE1-CA 3.35Å
387Y98.3Very high87.6Confident10 Ų1054.6 Ų54.64%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-162167.5173.973.6-83.6000111.9D310 Y362 Q364 L385 T389 T392 Y393 Y424D310-Y387 VanDerWaalsContact CG-OH 3.24Å; D310-Y387 PolarHBondContact OD1-OH 3.37Å; D310-Y387 VanDerWaalsContact OD2-CE1 3.27Å; D310-Y387 WeakPolarHBondContact OD2-CE1 3.4Å; D310-Y387 PolarHBondContact OD2-OH 3.15Å; Y362-Y387 HydrophobicContact CE2-CE2 4.05Å; Y362-Y387 AromaticContact CE2-CZ 3.82Å; Y362-Y387 WeakPolarHBondContact CE2-OH 3.29Å; Y362-Y387 PolarHBondContact OH-OH 3.01Å; Q364-Y387 HydrophobicContact CB-CD1 3.79Å; Q364-Y387 HydrophobicContact CB-CE1 3.61Å; Q364-Y387 HydrophobicContact CB-CG 4.47Å; Q364-Y387 HydrophobicContact CG-CD1 4.22Å; Q364-Y387 HydrophobicContact CG-CE1 3.84Å; Q364-Y387 PolarHBondContact N-O 2.89Å; Q364-Y387 PolarHBondContact O-N 2.84Å; L385-Y387 WeakPolarHBondContact CD1-O 3.48Å; Y387-T389 HydrophobicContact CE2-CG2 3.95Å; Y387-T392 HydrophobicContact CD2-CG2 4.37Å; Y387-Y393 HydrophobicContact CD2-CE2 4.21Å; Y387-Y393 HydrophobicContact CE2-CD2 4.45Å; Y387-Y393 AromaticContact CE2-CE2 3.73Å; Y387-Y393 HydrophobicContact CE2-CE2 3.73Å; Y387-Y424 AromaticContact CD1-CD1 3.76Å; Y387-Y424 HydrophobicContact CD1-CD1 3.76Å; Y387-Y424 AromaticContact CD1-CD2 3.73Å; Y387-Y424 HydrophobicContact CD1-CD2 3.73Å; Y387-Y424 HydrophobicContact CD1-CE1 4.07Å; Y387-Y424 HydrophobicContact CD1-CE2 4.08Å; Y387-Y424 AromaticContact CD1-CG 3.56Å; Y387-Y424 HydrophobicContact CD1-CG 3.56Å; Y387-Y424 HydrophobicContact CD2-CD2 4.49Å; Y387-Y424 HydrophobicContact CE1-CD1 4.32Å; Y387-Y424 HydrophobicContact CE1-CD2 4.03Å; Y387-Y424 AromaticContact CE1-CG 3.78Å; Y387-Y424 HydrophobicContact CE1-CG 3.78Å; Y387-Y424 HydrophobicContact CG-CD1 4.49Å; Y387-Y424 AromaticContact CG-CD2 3.98Å; Y387-Y424 HydrophobicContact CG-CD2 3.98Å; Y387-Y424 HydrophobicContact CG-CE1 4.43Å; Y387-Y424 AromaticContact CG-CE2 3.94Å; Y387-Y424 HydrophobicContact CG-CE2 3.94Å; Y387-Y424 HydrophobicContact CG-CG 4.27Å
388D98.3Very high89.2Confident12 Ų1248.1 Ų48.16%0.06426%0.257CS..EExtended strand (participates in β ladder)trans-123.6131.4164.7175.8-76000110R351 S363 M390 T391 T392R351-D388 IonicContact CZ-OD1 3.11Å; R351-D388 IonicContact CZ-OD2 2.87Å; R351-D388 IonicContact NE-OD2 3.64Å; R351-D388 PolarHBondContact NE-OD2 2.82Å; R351-D388 VanDerWaalsContact NE-OD2 3.12Å; R351-D388 IonicContact NH2-OD1 3.71Å; R351-D388 PolarHBondContact NH2-OD1 3.37Å; R351-D388 IonicContact NH2-OD2 3.57Å; R351-D388 PolarHBondContact NH2-OD2 3.4Å; S363-D388 PolarHBondContact OG-OD2 2.99Å; D388-M390 VanDerWaalsContact C-N 3.29Å; D388-M390 PolarHBondContact O-N 3.01Å; D388-M390 PolarHBondContact OD1-N 2.89Å; D388-T391 PolarHBondContact O-N 3.41Å; D388-T391 VanDerWaalsContact O-N 3.13Å; D388-T391 PolarHBondContact O-OG1 3.23Å; D388-T391 VanDerWaalsContact O-OG1 3.08Å; D388-T391 PolarHBondContact OD1-N 2.88Å; D388-T392 WeakPolarHBondContact O-CB 3.36Å; D388-T392 PolarHBondContact O-N 3.06Å; D388-T392 PolarHBondContact O-OG1 3.32Å
389T98.1Very high90.6Very high3 Ų346.8 Ų46.82%0.01825%0.252CS..Hα-helixtrans-52.4-37.8-176.243.70000115.1G361 Y362 Y387 Y393 L398G361-T389 VanDerWaalsContact CA-OG1 3.29Å; G361-T389 WeakPolarHBondContact CA-OG1 3.05Å; Y362-T389 HydrophobicContact CD1-CG2 3.87Å; Y362-T389 HydrophobicContact CD2-CG2 3.85Å; Y362-T389 HydrophobicContact CE1-CG2 3.64Å; Y362-T389 HydrophobicContact CE2-CG2 3.6Å; Y362-T389 HydrophobicContact CG-CG2 3.97Å; Y362-T389 VanDerWaalsContact CZ-CG2 3.49Å; Y362-T389 PolarHBondContact N-OG1 3.22Å; Y362-T389 PolarHBondContact O-N 3.47Å; Y362-T389 PolarHBondContact O-OG1 3.48Å; Y387-T389 HydrophobicContact CE2-CG2 3.95Å; T389-Y393 PolarHBondContact O-N 2.77Å; T389-L398 HydrophobicContact CG2-CD2 4.26Å
390M96.5Very high92.4Very high54 Ų5445.1 Ų45.127%0.26624%0.241SC..Hα-helixtrans-77.5-34179.6-67.1-171.9129.500112.3R351 L360 D388 H394 L395 P396R351-M390 PolarHBondContact NH1-SD 3.09Å; R351-M390 PolarHBondContact NH2-SD 2.63Å; L360-M390 HydrophobicContact CB-CE 4.5Å; L360-M390 WeakPolarHBondContact O-CE 3.02Å; D388-M390 VanDerWaalsContact C-N 3.29Å; D388-M390 PolarHBondContact O-N 3.01Å; D388-M390 PolarHBondContact OD1-N 2.89Å; M390-H394 WeakPolarHBondContact O-CA 3.32Å; M390-H394 PolarHBondContact O-N 3.39Å; M390-L395 WeakPolarHBondContact CG-O 3.44Å; M390-P396 VanDerWaalsContact CE-C 3.44Å; M390-P396 WeakPolarHBondContact CE-O 3.38Å
391T96.6Very high94.2Very high93 Ų9346.4 Ų46.457%0.57125%0.248SC*.Hα-helixtrans-80-41.5-179.159.30000111.5D388 H394D388-T391 PolarHBondContact O-N 3.41Å; D388-T391 VanDerWaalsContact O-N 3.13Å; D388-T391 PolarHBondContact O-OG1 3.23Å; D388-T391 VanDerWaalsContact O-OG1 3.08Å; D388-T391 PolarHBondContact OD1-N 2.88Å; T391-H394 PolarHBondContact O-CE1 3.23Å; T391-H394 PolarHBondContact O-ND1 3.35Å
392T96.8Very high95.8Very high25 Ų2541.7 Ų41.715%0.15322%0.224CC..Hα-helixtrans-78.7-40.6-174.8-64.70000113.9Y387 D388 N420 Y424Y387-T392 HydrophobicContact CD2-CG2 4.37Å; D388-T392 WeakPolarHBondContact O-CB 3.36Å; D388-T392 PolarHBondContact O-N 3.06Å; D388-T392 PolarHBondContact O-OG1 3.32Å; T392-N420 HydrophobicContact CG2-CB 4.34Å; T392-Y424 HydrophobicContact CG2-CE2 3.82Å
393Y96.9Very high96.6Very high14 Ų1441.2 Ų41.26%0.05522%0.222CC..SBendtrans-109.14.5-178.2-58.8-63.8000113.3Y387 T389 L395 L406 Y417 N420 Y421Y387-Y393 HydrophobicContact CD2-CE2 4.21Å; Y387-Y393 HydrophobicContact CE2-CD2 4.45Å; Y387-Y393 AromaticContact CE2-CE2 3.73Å; Y387-Y393 HydrophobicContact CE2-CE2 3.73Å; T389-Y393 PolarHBondContact O-N 2.77Å; Y393-L395 PolarHBondContact O-N 3.04Å; Y393-L395 VanDerWaalsContact O-N 3.15Å; Y393-L406 HydrophobicContact CD1-CD1 3.78Å; Y393-L406 HydrophobicContact CD1-CD2 4.14Å; Y393-L406 HydrophobicContact CD2-CD2 4.32Å; Y393-L406 HydrophobicContact CE1-CD1 4.49Å; Y393-L406 HydrophobicContact CG-CD1 4.23Å; Y393-L406 HydrophobicContact CG-CD2 3.98Å; Y393-Y417 AromaticContact CD1-CD1 3.98Å; Y393-Y417 HydrophobicContact CD1-CD1 3.98Å; Y393-N420 HydrophobicContact CE1-CB 4.06Å; Y393-Y421 WeakPolarHBondContact OH-CA 3.43Å; Y393-Y421 PolarHBondContact OH-N 2.97Å
394H96Very high96.8Very high139 Ų13942 Ų4264%0.64423%0.226SC*.  trans54.929.3-179.8-55.9-27.6000114.2M390 T391M390-H394 WeakPolarHBondContact O-CA 3.32Å; M390-H394 PolarHBondContact O-N 3.39Å; T391-H394 PolarHBondContact O-CE1 3.23Å; T391-H394 PolarHBondContact O-ND1 3.35Å
395L96.2Very high97Very high16 Ų1643.3 Ų43.38%0.08424%0.235CC..  trans-74.8137.6-178.2-57.8176.6000111.3M390 Y393 L398 L403 L406M390-L395 WeakPolarHBondContact CG-O 3.44Å; Y393-L395 PolarHBondContact O-N 3.04Å; Y393-L395 VanDerWaalsContact O-N 3.15Å; L395-L398 HydrophobicContact CD1-CD2 3.87Å; L395-L403 HydrophobicContact CD1-CD2 3.98Å; L395-L406 HydrophobicContact CD1-CD2 4.42Å; L395-L406 HydrophobicContact CD2-CB 4.36Å
396P95.7Very high97Very high92 Ų9239.3 Ų39.360%0.59721%0.214SC*.SBendtrans-82.4-21.117434.1-35.4000113M390M390-P396 VanDerWaalsContact CE-C 3.44Å; M390-P396 WeakPolarHBondContact CE-O 3.38Å
397D97.4Very high96.9Very high39 Ų3938.9 Ų38.921%0.20921%0.212CC..  trans-162.7177.5176.259.234.6000109.7T358 L360 S399 S402T358-D397 HydrophobicContact CG2-CB 4.43Å; L360-D397 WeakPolarHBondContact O-CA 3.27Å; D397-S399 VanDerWaalsContact C-N 3.35Å; D397-S399 WeakPolarHBondContact OD1-CB 3.5Å; D397-S399 PolarHBondContact OD1-N 3.01Å; D397-S399 PolarHBondContact OD1-OG 2.88Å; D397-S402 VanDerWaalsContact O-CB 3.29Å; D397-S402 WeakPolarHBondContact O-CB 3.44Å; D397-S402 VanDerWaalsContact OD1-CB 3.27Å; D397-S402 WeakPolarHBondContact OD1-CB 3.48Å; D397-S402 PolarHBondContact OD1-OG 3.03Å
398L98Very high96.7Very high2 Ų240 Ų401%0.0122%0.218CC..SBendtrans-98.130.5172.2-69.8-175000112.8S325 F327 L359 G361 Y362 T389 L395 L403S325-L398 WeakPolarHBondContact CB-O 3.31Å; S325-L398 PolarHBondContact OG-O 3.21Å; F327-L398 HydrophobicContact CE1-CD1 4.29Å; F327-L398 HydrophobicContact CE1-CD2 4.39Å; F327-L398 HydrophobicContact CE2-CB 4.2Å; F327-L398 HydrophobicContact CE2-CD1 4.15Å; F327-L398 HydrophobicContact CZ-CB 3.83Å; F327-L398 HydrophobicContact CZ-CD1 3.73Å; F327-L398 HydrophobicContact CZ-CD2 4.02Å; F327-L398 HydrophobicContact CZ-CG 4.06Å; L359-L398 HydrophobicContact CB-CB 4.29Å; L359-L398 HydrophobicContact CD2-CB 4Å; L359-L398 HydrophobicContact CD2-CD1 3.76Å; L359-L398 HydrophobicContact CG-CB 4.09Å; L359-L398 HydrophobicContact CG-CD1 3.97Å; L359-L398 PolarHBondContact O-N 3.29Å; G361-L398 VanDerWaalsContact CA-CD1 3.47Å; Y362-L398 HydrophobicContact CD1-CD1 3.65Å; Y362-L398 HydrophobicContact CE1-CD1 4.08Å; T389-L398 HydrophobicContact CG2-CD2 4.26Å; L395-L398 HydrophobicContact CD1-CD2 3.87Å; L398-L403 HydrophobicContact CD2-CD2 4.25Å
399S96.8Very high96.5Very high32 Ų3241 Ų4122%0.22422%0.224CC..  trans-68.5159176.472.90000112.5D397 N401 S402 L403D397-S399 VanDerWaalsContact C-N 3.35Å; D397-S399 WeakPolarHBondContact OD1-CB 3.5Å; D397-S399 PolarHBondContact OD1-N 3.01Å; D397-S399 PolarHBondContact OD1-OG 2.88Å; S399-N401 PolarHBondContact O-N 3.38Å; S399-S402 PolarHBondContact O-N 2.94Å; S399-S402 VanDerWaalsContact O-N 3.15Å; S399-S402 PolarHBondContact OG-N 2.79Å; S399-S402 PolarHBondContact OG-OG 2.9Å; S399-L403 PolarHBondContact O-N 3.12Å
400S96.8Very high96.3Very high14 Ų1441 Ų4110%0.09822%0.223CC..Hα-helixtrans-56.2-30.8174.563.30000113.2P322 H404P322-S400 WeakPolarHBondContact O-CB 3.42Å; P322-S400 PolarHBondContact O-OG 3.18Å; S400-H404 WeakPolarHBondContact O-CB 3.07Å; S400-H404 PolarHBondContact O-N 2.88Å
401N96.5Very high96Very high100 Ų10039.6 Ų39.654%0.53522%0.217SC..Hα-helixtrans-72.6-47.6175.5-70.9-44.3000111.9S399 L403 H404 L405S399-N401 PolarHBondContact O-N 3.38Å; N401-L403 PolarHBondContact O-N 3.32Å; N401-H404 PolarHBondContact O-N 3.46Å; N401-L405 WeakPolarHBondContact O-CG 3.44Å; N401-L405 PolarHBondContact O-N 3.47Å
402S97.7Very high95.6Very high10 Ų1040.3 Ų40.37%0.0721%0.212CC..Hα-helixtrans-61.2-44.8178.6-65.80000111.6D397 S399 L405 L406D397-S402 VanDerWaalsContact O-CB 3.29Å; D397-S402 WeakPolarHBondContact O-CB 3.44Å; D397-S402 VanDerWaalsContact OD1-CB 3.27Å; D397-S402 WeakPolarHBondContact OD1-CB 3.48Å; D397-S402 PolarHBondContact OD1-OG 3.03Å; S399-S402 PolarHBondContact O-N 2.94Å; S399-S402 VanDerWaalsContact O-N 3.15Å; S399-S402 PolarHBondContact OG-N 2.79Å; S399-S402 PolarHBondContact OG-OG 2.9Å; S402-L405 PolarHBondContact O-N 3.44Å; S402-L406 PolarHBondContact O-N 2.86Å; S402-L406 VanDerWaalsContact O-N 3.12Å
403L97.6Very high95.1Very high3 Ų346.3 Ų46.32%0.01624%0.238CC..Hα-helixtrans-69.8-32.6174.9-65-177.5000113.1F312 L314 S325 F327 L395 L398 S399 N401 L405 L406 W407F312-L403 HydrophobicContact CB-CD1 4.38Å; F312-L403 HydrophobicContact CD2-CB 4.25Å; F312-L403 HydrophobicContact CD2-CD1 3.86Å; F312-L403 HydrophobicContact CD2-CD2 4.47Å; F312-L403 HydrophobicContact CD2-CG 4.43Å; F312-L403 HydrophobicContact CE2-CB 4.03Å; F312-L403 HydrophobicContact CE2-CD1 4.46Å; F312-L403 HydrophobicContact CG-CD1 4.25Å; L314-L403 HydrophobicContact CD2-CB 3.66Å; S325-L403 VanDerWaalsContact CB-CD1 3.45Å; F327-L403 HydrophobicContact CE1-CD1 3.93Å; F327-L403 HydrophobicContact CZ-CD1 3.59Å; L395-L403 HydrophobicContact CD1-CD2 3.98Å; L398-L403 HydrophobicContact CD2-CD2 4.25Å; S399-L403 PolarHBondContact O-N 3.12Å; N401-L403 PolarHBondContact O-N 3.32Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.4Å; L403-L406 HydrophobicContact CD2-CD2 4.46Å; L403-L406 PolarHBondContact O-N 2.93Å; L403-W407 WeakPolarHBondContact O-CB 3.42Å; L403-W407 PolarHBondContact O-N 2.95Å
404H96.9Very high94.5Very high29 Ų2948.2 Ų48.213%0.13425%0.25CC..Hα-helixtrans-65.8-35.4173-178.737.9000111.8L314 P322 S400 N401 W407 N408 R460L314-H404 HydrophobicContact CD1-CB 4.22Å; L314-H404 HydrophobicContact CD2-CB 4.45Å; P322-H404 HydrophobicContact CB-CB 4.14Å; P322-H404 HydrophobicContact CG-CB 3.92Å; S400-H404 WeakPolarHBondContact O-CB 3.07Å; S400-H404 PolarHBondContact O-N 2.88Å; N401-H404 PolarHBondContact O-N 3.46Å; H404-W407 AromaticContact ND1-CE3 3.9Å; H404-N408 VanDerWaalsContact CE1-CG 3.43Å; H404-N408 PolarHBondContact CE1-ND2 2.76Å; H404-N408 PolarHBondContact CE1-OD1 3.48Å; H404-N408 PolarHBondContact ND1-ND2 3.28Å; H404-N408 PolarHBondContact NE2-ND2 3.05Å; H404-N408 VanDerWaalsContact NE2-ND2 3.16Å; H404-N408 VanDerWaalsContact O-CB 3.26Å; H404-N408 WeakPolarHBondContact O-CB 3.26Å; H404-N408 PolarHBondContact O-N 3.38Å; H404-N408 PolarHBondContact O-ND2 2.69Å; H404-N408 VanDerWaalsContact O-ND2 3.15Å; H404-R460 PolarHBondContact CE1-NH1 3.22Å; H404-R460 PolarHBondContact ND1-NH1 3.31Å; H404-R460 VanDerWaalsContact ND1-NH1 3.16Å
405L96.4Very high94Very high113 Ų11346.1 Ų46.159%0.59224%0.243SC*.Hα-helixtrans-65.8-37.2172-68.8173000112.3N401 S402 L403 N409N401-L405 WeakPolarHBondContact O-CG 3.44Å; N401-L405 PolarHBondContact O-N 3.47Å; S402-L405 PolarHBondContact O-N 3.44Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.4Å; L405-N409 PolarHBondContact O-N 3.1Å; L405-N409 PolarHBondContact O-ND2 3.37Å; L405-N409 VanDerWaalsContact O-ND2 3.12Å
406L96.8Very high93.8Very high6 Ų646.7 Ų46.73%0.03125%0.253CS..Hα-helixtrans-65-49.9173.3-178.558.5000111.9F312 Y393 L395 S402 L403 N408 N409 F410 Y417F312-L406 HydrophobicContact CE1-CD2 4.27Å; F312-L406 HydrophobicContact CZ-CD2 4.41Å; Y393-L406 HydrophobicContact CD1-CD1 3.78Å; Y393-L406 HydrophobicContact CD1-CD2 4.14Å; Y393-L406 HydrophobicContact CD2-CD2 4.32Å; Y393-L406 HydrophobicContact CE1-CD1 4.49Å; Y393-L406 HydrophobicContact CG-CD1 4.23Å; Y393-L406 HydrophobicContact CG-CD2 3.98Å; L395-L406 HydrophobicContact CD1-CD2 4.42Å; L395-L406 HydrophobicContact CD2-CB 4.36Å; S402-L406 PolarHBondContact O-N 2.86Å; S402-L406 VanDerWaalsContact O-N 3.12Å; L403-L406 HydrophobicContact CD2-CD2 4.46Å; L403-L406 PolarHBondContact O-N 2.93Å; L406-N408 VanDerWaalsContact C-N 3.29Å; L406-N408 PolarHBondContact O-N 3.2Å; L406-N409 WeakPolarHBondContact O-CA 3.15Å; L406-N409 WeakPolarHBondContact O-CB 3.45Å; L406-N409 PolarHBondContact O-N 2.85Å; L406-F410 HydrophobicContact CD1-CD1 4.37Å; L406-F410 HydrophobicContact CD1-CE1 3.65Å; L406-F410 HydrophobicContact CD1-CZ 3.93Å; L406-F410 HydrophobicContact CD2-CZ 4.03Å; L406-F410 HydrophobicContact CG-CE1 3.9Å; L406-F410 HydrophobicContact CG-CE2 4.21Å; L406-F410 HydrophobicContact CG-CZ 3.67Å; L406-F410 PolarHBondContact O-N 2.76Å; L406-Y417 HydrophobicContact CD1-CD2 4.32Å; L406-Y417 HydrophobicContact CD1-CG 4.09Å
407W95.9Very high93.8Very high11 Ų1144.4 Ų44.44%0.04223%0.232CC..Hα-helixtrans-58.4-39.5174.9-176.996000112L314 L403 H404 N409 F410 L411 L456 R460L314-W407 HydrophobicContact CD1-CB 3.85Å; L314-W407 HydrophobicContact CD1-CD2 4.45Å; L314-W407 HydrophobicContact CD1-CG 3.93Å; L403-W407 WeakPolarHBondContact O-CB 3.42Å; L403-W407 PolarHBondContact O-N 2.95Å; H404-W407 AromaticContact ND1-CE3 3.9Å; W407-N409 PolarHBondContact O-N 3.37Å; W407-F410 WeakPolarHBondContact O-CB 3.48Å; W407-F410 PolarHBondContact O-N 2.87Å; W407-L411 HydrophobicContact CE3-CD1 4.08Å; W407-L411 HydrophobicContact CH2-CD1 3.85Å; W407-L411 HydrophobicContact CH2-CD2 4.46Å; W407-L411 HydrophobicContact CH2-CG 4.39Å; W407-L411 HydrophobicContact CZ3-CD1 3.51Å; W407-L411 HydrophobicContact CZ3-CG 4.27Å; W407-L411 PolarHBondContact O-N 3.11Å; W407-L456 HydrophobicContact CG-CD2 4.31Å; W407-L456 HydrophobicContact CZ2-CB 4.24Å; W407-L456 PolarHBondContact NE1-O 3.31Å; W407-R460 HydrophobicContact CZ2-CB 4Å; W407-R460 HydrophobicContact CZ2-CG 4.37Å
408N93.7Very high93.6Very high32 Ų3242.6 Ų42.617%0.17122%0.223CC..Hα-helixtrans-66.6-17172.5-75.6-26.2000113.7H404 L406 K412H404-N408 VanDerWaalsContact CE1-CG 3.43Å; H404-N408 PolarHBondContact CE1-ND2 2.76Å; H404-N408 PolarHBondContact CE1-OD1 3.48Å; H404-N408 PolarHBondContact ND1-ND2 3.28Å; H404-N408 PolarHBondContact NE2-ND2 3.05Å; H404-N408 VanDerWaalsContact NE2-ND2 3.16Å; H404-N408 VanDerWaalsContact O-CB 3.26Å; H404-N408 WeakPolarHBondContact O-CB 3.26Å; H404-N408 PolarHBondContact O-N 3.38Å; H404-N408 PolarHBondContact O-ND2 2.69Å; H404-N408 VanDerWaalsContact O-ND2 3.15Å; L406-N408 VanDerWaalsContact C-N 3.29Å; L406-N408 PolarHBondContact O-N 3.2Å; N408-K412 WeakPolarHBondContact O-CE 2.99Å
409N93.8Very high93.4Very high35 Ų3546.2 Ų46.219%0.18725%0.245CC..Hα-helixtrans-85.9-36.2169.7-67.3-41.4000111.9L405 L406 W407 L411 K412 Y417L405-N409 PolarHBondContact O-N 3.1Å; L405-N409 PolarHBondContact O-ND2 3.37Å; L405-N409 VanDerWaalsContact O-ND2 3.12Å; L406-N409 WeakPolarHBondContact O-CA 3.15Å; L406-N409 WeakPolarHBondContact O-CB 3.45Å; L406-N409 PolarHBondContact O-N 2.85Å; W407-N409 PolarHBondContact O-N 3.37Å; N409-L411 PolarHBondContact O-N 3.43Å; N409-K412 VanDerWaalsContact O-CB 3.31Å; N409-K412 WeakPolarHBondContact O-CB 3.26Å; N409-K412 PolarHBondContact O-N 2.69Å; N409-K412 PolarHBondContact OD1-NZ 2.91Å; N409-Y417 HydrophobicContact CB-CD2 3.77Å; N409-Y417 HydrophobicContact CB-CE2 4.35Å; N409-Y417 WeakPolarHBondContact ND2-CE2 3.34Å
410F94.1Very high93.3Very high1 Ų147.2 Ų47.20%0.00425%0.248CC..Hα-helixtrans-57.3-35.6175.3-63.8-19.7000113F312 L406 W407 K412 Y417 W418 Y421 R452 L456 M459F312-F410 AromaticContact CE1-CE2 3.88Å; F312-F410 HydrophobicContact CE1-CE2 3.88Å; F312-F410 HydrophobicContact CE1-CZ 4.37Å; F312-F410 AromaticContact CZ-CE2 3.89Å; F312-F410 HydrophobicContact CZ-CE2 3.89Å; L406-F410 HydrophobicContact CD1-CD1 4.37Å; L406-F410 HydrophobicContact CD1-CE1 3.65Å; L406-F410 HydrophobicContact CD1-CZ 3.93Å; L406-F410 HydrophobicContact CD2-CZ 4.03Å; L406-F410 HydrophobicContact CG-CE1 3.9Å; L406-F410 HydrophobicContact CG-CE2 4.21Å; L406-F410 HydrophobicContact CG-CZ 3.67Å; L406-F410 PolarHBondContact O-N 2.76Å; W407-F410 WeakPolarHBondContact O-CB 3.48Å; W407-F410 PolarHBondContact O-N 2.87Å; F410-K412 PolarHBondContact O-N 3.32Å; F410-K412 VanDerWaalsContact O-N 3.12Å; F410-Y417 WeakPolarHBondContact CE1-O 3.49Å; F410-W418 HydrophobicContact CB-CE3 3.77Å; F410-W418 HydrophobicContact CB-CZ3 4.28Å; F410-W418 HydrophobicContact CD1-CB 4.25Å; F410-W418 HydrophobicContact CD1-CE3 4.12Å; F410-W418 HydrophobicContact CD2-CE3 4.13Å; F410-W418 HydrophobicContact CD2-CZ3 4.31Å; F410-W418 AromaticContact CG-CE3 3.78Å; F410-W418 HydrophobicContact CG-CE3 3.78Å; F410-W418 HydrophobicContact CG-CZ3 4.35Å; F410-Y421 HydrophobicContact CE2-CD1 4.32Å; F410-Y421 HydrophobicContact CE2-CG 4.22Å; F410-Y421 HydrophobicContact CZ-CD1 4.28Å; F410-Y421 HydrophobicContact CZ-CD2 4.46Å; F410-Y421 AromaticContact CZ-CG 3.85Å; F410-Y421 HydrophobicContact CZ-CG 3.85Å; F410-R452 WeakPolarHBondContact O-CD 3Å; F410-R452 PolarHBondContact O-NH1 3.32Å; F410-L456 HydrophobicContact CB-CD1 4.09Å; F410-L456 HydrophobicContact CB-CD2 3.63Å; F410-L456 HydrophobicContact CB-CG 4.48Å; F410-L456 HydrophobicContact CD2-CD2 3.72Å; F410-L456 HydrophobicContact CG-CD2 4.19Å; F410-M459 HydrophobicContact CD2-SD 4.23Å; F410-M459 HydrophobicContact CE2-CE 4.21Å; F410-M459 HydrophobicContact CE2-SD 4.22Å
411L89.3Confident93.3Very high25 Ų2546.9 Ų46.913%0.13125%0.245CC..THydrogen-bonded Turntrans-58.9-17.4173.3-74.7175.3000114.9W407 N409 L456 M492 F493W407-L411 HydrophobicContact CE3-CD1 4.08Å; W407-L411 HydrophobicContact CH2-CD1 3.85Å; W407-L411 HydrophobicContact CH2-CD2 4.46Å; W407-L411 HydrophobicContact CH2-CG 4.39Å; W407-L411 HydrophobicContact CZ3-CD1 3.51Å; W407-L411 HydrophobicContact CZ3-CG 4.27Å; W407-L411 PolarHBondContact O-N 3.11Å; N409-L411 PolarHBondContact O-N 3.43Å; L411-L456 HydrophobicContact CD2-CD1 3.66Å; L411-L456 HydrophobicContact CG-CD1 4.07Å; L411-M492 HydrophobicContact CD2-CE 4.18Å; L411-M492 HydrophobicContact CD2-SD 3.63Å; L411-F493 HydrophobicContact CD2-CD1 3.91Å; L411-F493 HydrophobicContact CD2-CE1 4Å
412K88.4Confident93.2Very high109 Ų10942.9 Ų42.947%0.47422%0.222SC..SBendtrans-92.1173.3-174.8-57.4171.8-174.7157.30111.2N408 N409 F410 D414 A447 R452N408-K412 WeakPolarHBondContact O-CE 2.99Å; N409-K412 VanDerWaalsContact O-CB 3.31Å; N409-K412 WeakPolarHBondContact O-CB 3.26Å; N409-K412 PolarHBondContact O-N 2.69Å; N409-K412 PolarHBondContact OD1-NZ 2.91Å; F410-K412 PolarHBondContact O-N 3.32Å; F410-K412 VanDerWaalsContact O-N 3.12Å; K412-D414 PolarHBondContact O-N 2.88Å; K412-A447 WeakPolarHBondContact O-CB 3.3Å; K412-R452 PolarHBondContact O-NH1 3.24Å; K412-R452 VanDerWaalsContact O-NH1 3.15Å
413E85.8Confident93Very high150 Ų15045.9 Ų45.970%0.70124%0.237SC*.SBendtrans-53.1135.6157.9-74.8159.9-148.300109.3N415 A447E413-N415 PolarHBondContact O-N 2.88Å; E413-A447 HydrophobicContact CG-CB 4.34Å
414D85.7Confident92.9Very high54 Ų5447.6 Ų47.629%0.28924%0.244SC..PPolyproline II helixtrans-70.3128.4-166.1-17012.2000111.7K412 G416 Y417 W418 T419K412-D414 PolarHBondContact O-N 2.88Å; D414-G416 PolarHBondContact OD1-N 3.26Å; D414-Y417 PolarHBondContact OD1-N 2.92Å; D414-W418 HydrophobicContact CB-CB 4.42Å; D414-W418 PolarHBondContact OD1-N 3.43Å; D414-T419 VanDerWaalsContact OD2-CB 3.29Å; D414-T419 WeakPolarHBondContact OD2-CB 3.25Å; D414-T419 PolarHBondContact OD2-N 2.85Å; D414-T419 PolarHBondContact OD2-OG1 2.85Å
415N85.6Confident92.9Very high96 Ų9646.2 Ų46.251%0.51324%0.237SC..SBendtrans-107.317.5177.867.5-21.8000112.1E413 Y417E413-N415 PolarHBondContact O-N 2.88Å; N415-Y417 VanDerWaalsContact ND2-CD2 3.28Å; N415-Y417 WeakPolarHBondContact ND2-CD2 3.48Å; N415-Y417 VanDerWaalsContact ND2-CE2 3.33Å; N415-Y417 WeakPolarHBondContact ND2-CE2 3.47Å; N415-Y417 WeakPolarHBondContact OD1-CD2 3.37Å; N415-Y417 PolarHBondContact OD1-N 3.48Å
416G91.8Very high92.8Very high27 Ų2740.8 Ų40.828%0.27821%0.209SC..SBendtrans101.6-23.6-176.900000113.1D414 W418 N420D414-G416 PolarHBondContact OD1-N 3.26Å; G416-W418 PolarHBondContact O-N 3.29Å; G416-N420 VanDerWaalsContact O-CB 3.28Å; G416-N420 WeakPolarHBondContact O-CB 3.47Å; G416-N420 PolarHBondContact O-N 3.38Å; G416-N420 PolarHBondContact O-ND2 3.3Å; G416-N420 PolarHBondContact O-OD1 2.97Å
417Y94.3Very high92.8Very high44 Ų4440.5 Ų40.517%0.17321%0.208CC..Hα-helixtrans-66.2-38.3-179.2-65.8-37.4000112.7Y393 L406 N409 F410 D414 N415 Y421Y393-Y417 AromaticContact CD1-CD1 3.98Å; Y393-Y417 HydrophobicContact CD1-CD1 3.98Å; L406-Y417 HydrophobicContact CD1-CD2 4.32Å; L406-Y417 HydrophobicContact CD1-CG 4.09Å; N409-Y417 HydrophobicContact CB-CD2 3.77Å; N409-Y417 HydrophobicContact CB-CE2 4.35Å; N409-Y417 WeakPolarHBondContact ND2-CE2 3.34Å; F410-Y417 WeakPolarHBondContact CE1-O 3.49Å; D414-Y417 PolarHBondContact OD1-N 2.92Å; N415-Y417 VanDerWaalsContact ND2-CD2 3.28Å; N415-Y417 WeakPolarHBondContact ND2-CD2 3.48Å; N415-Y417 VanDerWaalsContact ND2-CE2 3.33Å; N415-Y417 WeakPolarHBondContact ND2-CE2 3.47Å; N415-Y417 WeakPolarHBondContact OD1-CD2 3.37Å; N415-Y417 PolarHBondContact OD1-N 3.48Å; Y417-Y421 WeakPolarHBondContact O-CB 3.34Å; Y417-Y421 PolarHBondContact O-N 3.42Å; Y417-Y421 VanDerWaalsContact O-N 3.14Å
418W94.6Very high92.6Very high2 Ų241.8 Ų41.81%0.00822%0.224CC..Hα-helixtrans-74.9-45.8178.5176.1-83.4000111.6F410 D414 G416 N420 Y421 W422 C444 R452 H455 L456F410-W418 HydrophobicContact CB-CE3 3.77Å; F410-W418 HydrophobicContact CB-CZ3 4.28Å; F410-W418 HydrophobicContact CD1-CB 4.25Å; F410-W418 HydrophobicContact CD1-CE3 4.12Å; F410-W418 HydrophobicContact CD2-CE3 4.13Å; F410-W418 HydrophobicContact CD2-CZ3 4.31Å; F410-W418 AromaticContact CG-CE3 3.78Å; F410-W418 HydrophobicContact CG-CE3 3.78Å; F410-W418 HydrophobicContact CG-CZ3 4.35Å; D414-W418 HydrophobicContact CB-CB 4.42Å; D414-W418 PolarHBondContact OD1-N 3.43Å; G416-W418 PolarHBondContact O-N 3.29Å; W418-N420 VanDerWaalsContact C-N 3.26Å; W418-N420 PolarHBondContact O-N 2.95Å; W418-Y421 HydrophobicContact CE3-CD1 4.09Å; W418-Y421 HydrophobicContact CH2-CD1 4.42Å; W418-Y421 HydrophobicContact CH2-CE1 4.25Å; W418-Y421 HydrophobicContact CZ3-CD1 4.05Å; W418-Y421 HydrophobicContact CZ3-CE1 4.15Å; W418-Y421 PolarHBondContact O-N 2.93Å; W418-Y421 VanDerWaalsContact O-N 3.11Å; W418-W422 AromaticContact CZ2-CE3 3.67Å; W418-W422 HydrophobicContact CZ2-CE3 3.67Å; W418-W422 HydrophobicContact CZ2-CZ3 4.13Å; W418-W422 WeakPolarHBondContact O-CB 3.4Å; W418-W422 PolarHBondContact O-N 3.28Å; W418-C444 HydrophobicContact CZ2-CB 4.08Å; W418-C444 PolarHBondContact NE1-O 2.93Å; W418-R452 HydrophobicContact CD2-CG 4.46Å; W418-R452 HydrophobicContact CE3-CG 4.22Å; W418-R452 VanDerWaalsContact CG-CZ 3.44Å; W418-R452 VanDerWaalsContact CG-NH2 3.29Å; W418-R452 HydrophobicContact CH2-CB 4.42Å; W418-R452 HydrophobicContact CH2-CG 3.82Å; W418-R452 HydrophobicContact CZ2-CB 4.39Å; W418-R452 HydrophobicContact CZ2-CG 4.08Å; W418-R452 HydrophobicContact CZ3-CG 3.91Å; W418-H455 HydrophobicContact CH2-CB 3.84Å; W418-H455 AromaticContact CH2-CD2 3.66Å; W418-H455 AromaticContact CH2-CG 3.79Å; W418-L456 HydrophobicContact CZ3-CD2 4.03Å; W418-L456 HydrophobicContact CZ3-CG 4.24Å
419T93.5Very high92.6Very high78 Ų7842.4 Ų42.448%0.47922%0.224SC..Hα-helixtrans-55.9-41.4176.1-67.70000111.6D414 N423D414-T419 VanDerWaalsContact OD2-CB 3.29Å; D414-T419 WeakPolarHBondContact OD2-CB 3.25Å; D414-T419 PolarHBondContact OD2-N 2.85Å; D414-T419 PolarHBondContact OD2-OG1 2.85Å; T419-N423 VanDerWaalsContact O-CB 3.31Å; T419-N423 WeakPolarHBondContact O-CB 3.3Å; T419-N423 PolarHBondContact O-N 3.17Å
420N95.1Very high92.4Very high52 Ų5245.2 Ų45.228%0.27825%0.247SC..Hα-helixtrans-60.7-52.3172.9-75.1-4.8000111.6T392 Y393 G416 W418 W422 N423 Y424T392-N420 HydrophobicContact CG2-CB 4.34Å; Y393-N420 HydrophobicContact CE1-CB 4.06Å; G416-N420 VanDerWaalsContact O-CB 3.28Å; G416-N420 WeakPolarHBondContact O-CB 3.47Å; G416-N420 PolarHBondContact O-N 3.38Å; G416-N420 PolarHBondContact O-ND2 3.3Å; G416-N420 PolarHBondContact O-OD1 2.97Å; W418-N420 VanDerWaalsContact C-N 3.26Å; W418-N420 PolarHBondContact O-N 2.95Å; N420-W422 PolarHBondContact O-N 3.23Å; N420-N423 PolarHBondContact O-N 2.86Å; N420-Y424 HydrophobicContact CB-CD2 4.28Å; N420-Y424 HydrophobicContact CB-CE2 3.91Å; N420-Y424 WeakPolarHBondContact O-CD2 3.45Å; N420-Y424 PolarHBondContact O-N 3.22Å
421Y96Very high92.3Very high8 Ų845.8 Ų45.83%0.03125%0.249CC..Hα-helixtrans-58.2-49-179.9165.2-103.8000112.3E271 S311 Y393 F410 Y417 W418 N423 Y424 E425 H455 M459E271-Y421 PolarHBondContact OE1-OH 3.18Å; S311-Y421 PolarHBondContact OG-OH 3.17Å; Y393-Y421 WeakPolarHBondContact OH-CA 3.43Å; Y393-Y421 PolarHBondContact OH-N 2.97Å; F410-Y421 HydrophobicContact CE2-CD1 4.32Å; F410-Y421 HydrophobicContact CE2-CG 4.22Å; F410-Y421 HydrophobicContact CZ-CD1 4.28Å; F410-Y421 HydrophobicContact CZ-CD2 4.46Å; F410-Y421 AromaticContact CZ-CG 3.85Å; F410-Y421 HydrophobicContact CZ-CG 3.85Å; Y417-Y421 WeakPolarHBondContact O-CB 3.34Å; Y417-Y421 PolarHBondContact O-N 3.42Å; Y417-Y421 VanDerWaalsContact O-N 3.14Å; W418-Y421 HydrophobicContact CE3-CD1 4.09Å; W418-Y421 HydrophobicContact CH2-CD1 4.42Å; W418-Y421 HydrophobicContact CH2-CE1 4.25Å; W418-Y421 HydrophobicContact CZ3-CD1 4.05Å; W418-Y421 HydrophobicContact CZ3-CE1 4.15Å; W418-Y421 PolarHBondContact O-N 2.93Å; W418-Y421 VanDerWaalsContact O-N 3.11Å; Y421-N423 VanDerWaalsContact C-N 3.33Å; Y421-N423 PolarHBondContact O-N 3.2Å; Y421-Y424 PolarHBondContact O-N 3.38Å; Y421-E425 PolarHBondContact O-N 2.03Å; Y421-E425 PolarHBondContact OH-OE1 2.82Å; Y421-H455 AromaticContact CE1-CD2 3.68Å; Y421-H455 AromaticContact CE1-NE2 3.53Å; Y421-H455 AromaticContact CZ-NE2 3.76Å; Y421-H455 PolarHBondContact OH-NE2 2.88Å; Y421-M459 HydrophobicContact CD1-CE 4.22Å; Y421-M459 HydrophobicContact CD2-CE 4.45Å; Y421-M459 HydrophobicContact CE1-CE 3.45Å; Y421-M459 VanDerWaalsContact CE1-CE 3.45Å; Y421-M459 HydrophobicContact CE2-CE 3.74Å; Y421-M459 WeakPolarHBondContact OH-CE 2.43Å
422W93.6Very high92.1Very high15 Ų1546 Ų466%0.05726%0.255CS..Hα-helixtrans-57.1-44176.7-170.9-94.2000111.7W418 N420 Y424 H431 L438 G442 C444 H455W418-W422 AromaticContact CZ2-CE3 3.67Å; W418-W422 HydrophobicContact CZ2-CE3 3.67Å; W418-W422 HydrophobicContact CZ2-CZ3 4.13Å; W418-W422 WeakPolarHBondContact O-CB 3.4Å; W418-W422 PolarHBondContact O-N 3.28Å; N420-W422 PolarHBondContact O-N 3.23Å; W422-Y424 PolarHBondContact O-N 2.66Å; W422-H431 AromaticContact CD1-CE1 3.86Å; W422-H431 AromaticContact CD1-ND1 3.99Å; W422-H431 AromaticContact CD2-CE1 3.64Å; W422-H431 AromaticContact CD2-NE2 3.93Å; W422-H431 AromaticContact CE2-CD2 3.97Å; W422-H431 AromaticContact CE2-CE1 3.29Å; W422-H431 AromaticContact CE2-CG 3.78Å; W422-H431 AromaticContact CE2-ND1 3.36Å; W422-H431 AromaticContact CE2-NE2 3.67Å; W422-H431 AromaticContact CH2-CD2 3.54Å; W422-H431 AromaticContact CH2-CG 3.98Å; W422-H431 AromaticContact CH2-NE2 3.62Å; W422-H431 HydrophobicContact CZ2-CB 3.93Å; W422-H431 AromaticContact CZ2-CD2 3.41Å; W422-H431 VanDerWaalsContact CZ2-CD2 3.41Å; W422-H431 WeakPolarHBondContact CZ2-CD2 3.39Å; W422-H431 AromaticContact CZ2-CE1 3.58Å; W422-H431 AromaticContact CZ2-CG 3.36Å; W422-H431 AromaticContact CZ2-ND1 3.48Å; W422-H431 WeakPolarHBondContact CZ2-ND1 3.46Å; W422-H431 AromaticContact CZ2-NE2 3.54Å; W422-H431 AromaticContact CZ3-NE2 3.88Å; W422-H431 AromaticContact NE1-CE1 3.43Å; W422-H431 PolarHBondContact NE1-CE1 3.4Å; W422-H431 AromaticContact NE1-ND1 3.24Å; W422-H431 PolarHBondContact NE1-ND1 2.95Å; W422-H431 PolarHBondContact O-CE1 3.14Å; W422-L438 HydrophobicContact CH2-CD2 3.59Å; W422-L438 HydrophobicContact CZ2-CD1 4.48Å; W422-L438 HydrophobicContact CZ2-CD2 3.64Å; W422-G442 WeakPolarHBondContact CZ2-O 3.35Å; W422-C444 HydrophobicContact CD2-CB 3.93Å; W422-C444 HydrophobicContact CE3-CB 3.62Å; W422-C444 HydrophobicContact CH2-CB 3.4Å; W422-C444 VanDerWaalsContact CH2-CB 3.4Å; W422-C444 HydrophobicContact CZ2-CB 3.68Å; W422-C444 HydrophobicContact CZ3-CB 3.35Å; W422-H455 AromaticContact CZ3-CE1 3.56Å; W422-H455 AromaticContact CZ3-ND1 3.9Å
423N93.9Very high91.9Very high74 Ų7445.6 Ų45.640%0.39626%0.257SS..Hα-helixtrans-63.3-41.9177.2177.392.6000113T419 N420 Y421 G428T419-N423 VanDerWaalsContact O-CB 3.31Å; T419-N423 WeakPolarHBondContact O-CB 3.3Å; T419-N423 PolarHBondContact O-N 3.17Å; N420-N423 PolarHBondContact O-N 2.86Å; Y421-N423 VanDerWaalsContact C-N 3.33Å; Y421-N423 PolarHBondContact O-N 3.2Å; N423-G428 WeakPolarHBondContact O-CA 3.36Å; N423-G428 PolarHBondContact O-N 3.34Å
424Y96.6Very high91.8Very high38 Ų3839.3 Ų39.315%0.14923%0.228CC..Hα-helixtrans-80-22.1-175.7-60.9-48.7000113.8R346 E386 Y387 T392 N420 Y421 W422 L426 G427R346-Y424 PolarHBondContact NH1-O 2.87Å; R346-Y424 VanDerWaalsContact NH1-O 3.13Å; E386-Y424 HydrophobicContact CG-CD1 3.68Å; E386-Y424 HydrophobicContact CG-CE1 3.9Å; E386-Y424 WeakPolarHBondContact OE1-CD1 3.5Å; Y387-Y424 AromaticContact CD1-CD1 3.76Å; Y387-Y424 HydrophobicContact CD1-CD1 3.76Å; Y387-Y424 AromaticContact CD1-CD2 3.73Å; Y387-Y424 HydrophobicContact CD1-CD2 3.73Å; Y387-Y424 HydrophobicContact CD1-CE1 4.07Å; Y387-Y424 HydrophobicContact CD1-CE2 4.08Å; Y387-Y424 AromaticContact CD1-CG 3.56Å; Y387-Y424 HydrophobicContact CD1-CG 3.56Å; Y387-Y424 HydrophobicContact CD2-CD2 4.49Å; Y387-Y424 HydrophobicContact CE1-CD1 4.32Å; Y387-Y424 HydrophobicContact CE1-CD2 4.03Å; Y387-Y424 AromaticContact CE1-CG 3.78Å; Y387-Y424 HydrophobicContact CE1-CG 3.78Å; Y387-Y424 HydrophobicContact CG-CD1 4.49Å; Y387-Y424 AromaticContact CG-CD2 3.98Å; Y387-Y424 HydrophobicContact CG-CD2 3.98Å; Y387-Y424 HydrophobicContact CG-CE1 4.43Å; Y387-Y424 AromaticContact CG-CE2 3.94Å; Y387-Y424 HydrophobicContact CG-CE2 3.94Å; Y387-Y424 HydrophobicContact CG-CG 4.27Å; T392-Y424 HydrophobicContact CG2-CE2 3.82Å; N420-Y424 HydrophobicContact CB-CD2 4.28Å; N420-Y424 HydrophobicContact CB-CE2 3.91Å; N420-Y424 WeakPolarHBondContact O-CD2 3.45Å; N420-Y424 PolarHBondContact O-N 3.22Å; Y421-Y424 PolarHBondContact O-N 3.38Å; W422-Y424 PolarHBondContact O-N 2.66Å; Y424-L426 VanDerWaalsContact C-N 3.25Å; Y424-L426 PolarHBondContact O-N 2.74Å; Y424-G427 PolarHBondContact O-N 3.44Å
425E96Very high91.4Very high0 Ų039.7 Ų39.70%023%0.233CC..Hα-helixtrans-48.9-44.7178.4-169.9173.8-154.700112.4E271 N272 V309 D310 R346 Y421 H431 H455E271-E425 WeakPolarHBondContact CG-OE1 3.29Å; N272-E425 PolarHBondContact ND2-OE1 2.87Å; V309-E425 CarbonylContact C-O 3.46Å; V309-E425 WeakPolarHBondContact CA-O 3.45Å; V309-E425 HydrophobicContact CB-CG 3.81Å; V309-E425 HydrophobicContact CG1-CG 3.89Å; D310-E425 PolarHBondContact N-O 2.92Å; R346-E425 PolarHBondContact NH1-O 2.87Å; Y421-E425 PolarHBondContact O-N 2.03Å; Y421-E425 PolarHBondContact OH-OE1 2.82Å; E425-H431 IonicContact OE2-CD2 3.12Å; E425-H431 IonicContact OE2-CE1 3.5Å; E425-H431 IonicContact OE2-NE2 3.91Å; E425-H431 PolarHBondContact OE2-NE2 2.92Å; E425-H455 IonicContact OE1-CE1 2.84Å; E425-H455 PolarHBondContact OE1-CE1 3.08Å; E425-H455 IonicContact OE1-NE2 2.73Å; E425-H455 PolarHBondContact OE1-NE2 3.11Å; E425-H455 IonicContact OE2-CE1 2.74Å; E425-H455 IonicContact OE2-NE2 3.89Å; E425-H455 PolarHBondContact OE2-NE2 2.9Å
426L95Very high91Very high0 Ų042.2 Ų42.20%025%0.247CC..THydrogen-bonded Turntrans-103.76.8177.9-53.3-174.3000114.6V309 L340 F343 N344 Y424 R429 H431V309-L426 HydrophobicContact CG1-CD2 3.99Å; L340-L426 HydrophobicContact CD1-CD2 3.95Å; L340-L426 HydrophobicContact CD2-CD2 4.14Å; L340-L426 HydrophobicContact CG-CD2 3.91Å; F343-L426 WeakPolarHBondContact CA-O 3.39Å; F343-L426 HydrophobicContact CD1-CB 4.38Å; F343-L426 HydrophobicContact CD1-CD2 3.84Å; F343-L426 HydrophobicContact CE1-CD2 3.43Å; F343-L426 VanDerWaalsContact CE1-CD2 3.43Å; F343-L426 HydrophobicContact CZ-CD2 4.31Å; N344-L426 PolarHBondContact N-O 3.34Å; Y424-L426 VanDerWaalsContact C-N 3.25Å; Y424-L426 PolarHBondContact O-N 2.74Å; L426-R429 HydrophobicContact CB-CB 3.91Å; L426-R429 WeakPolarHBondContact O-CB 3.47Å; L426-R429 WeakPolarHBondContact O-CG 3.36Å; L426-H431 HydrophobicContact CD1-CB 4.08Å
427G95.4Very high90.5Very high0 Ų043.2 Ų43.20%024%0.242CC..THydrogen-bonded Turntrans84.332.9178.600000114.1N344 R346 E386 Y424N344-G427 PolarHBondContact ND2-O 3.27Å; R346-G427 VanDerWaalsContact NH1-N 3.17Å; E386-G427 WeakPolarHBondContact OE1-CA 3.35Å; Y424-G427 PolarHBondContact O-N 3.44Å
428G93.1Very high89.9Confident38 Ų3842 Ų4239%0.39224%0.239SC..SBendtrans74.524.2-170.600000114N423N423-G428 WeakPolarHBondContact O-CA 3.36Å; N423-G428 PolarHBondContact O-N 3.34Å
429R93.4Very high89.1Confident44 Ų4443.7 Ų43.717%0.16625%0.249CC..  trans-104.1162.3176.1-60.1-58.1-62.6166.5-3.8111D342 Q370 L426D342-R429 VanDerWaalsContact CG-NH2 3.33Å; D342-R429 WeakPolarHBondContact O-CB 3.37Å; D342-R429 WeakPolarHBondContact O-CG 3.33Å; D342-R429 WeakPolarHBondContact OD1-CB 3.36Å; D342-R429 IonicContact OD1-CZ 3.55Å; D342-R429 IonicContact OD1-NE 3.56Å; D342-R429 PolarHBondContact OD1-NE 2.96Å; D342-R429 IonicContact OD1-NH2 2.78Å; D342-R429 PolarHBondContact OD1-NH2 3.22Å; D342-R429 VanDerWaalsContact OD1-NH2 3.14Å; D342-R429 IonicContact OD2-CZ 2.96Å; D342-R429 IonicContact OD2-NE 3.54Å; D342-R429 IonicContact OD2-NH2 3.2Å; D342-R429 PolarHBondContact OD2-NH2 3.07Å; Q370-R429 VanDerWaalsContact OE1-NH1 3.09Å; L426-R429 HydrophobicContact CB-CB 3.91Å; L426-R429 WeakPolarHBondContact O-CB 3.47Å; L426-R429 WeakPolarHBondContact O-CG 3.36Å
430S89.8Confident88Confident95 Ų9546.1 Ų46.166%0.66426%0.263SS*.PPolyproline II helixtrans-89.4131.6-177.7-59.20000111.5
431H90.5Very high86.7Confident13 Ų1349.4 Ų49.46%0.0628%0.281CS..BIsolated β-bridgetrans-63.1143.2170.7-60.765.1000111.4L340 W422 E425 L426 L433 L438L340-H431 CarbonylContact O-C 3.5Å; L340-H431 WeakPolarHBondContact O-CA 3.22Å; W422-H431 AromaticContact CD1-CE1 3.86Å; W422-H431 AromaticContact CD1-ND1 3.99Å; W422-H431 AromaticContact CD2-CE1 3.64Å; W422-H431 AromaticContact CD2-NE2 3.93Å; W422-H431 AromaticContact CE2-CD2 3.97Å; W422-H431 AromaticContact CE2-CE1 3.29Å; W422-H431 AromaticContact CE2-CG 3.78Å; W422-H431 AromaticContact CE2-ND1 3.36Å; W422-H431 AromaticContact CE2-NE2 3.67Å; W422-H431 AromaticContact CH2-CD2 3.54Å; W422-H431 AromaticContact CH2-CG 3.98Å; W422-H431 AromaticContact CH2-NE2 3.62Å; W422-H431 HydrophobicContact CZ2-CB 3.93Å; W422-H431 AromaticContact CZ2-CD2 3.41Å; W422-H431 VanDerWaalsContact CZ2-CD2 3.41Å; W422-H431 WeakPolarHBondContact CZ2-CD2 3.39Å; W422-H431 AromaticContact CZ2-CE1 3.58Å; W422-H431 AromaticContact CZ2-CG 3.36Å; W422-H431 AromaticContact CZ2-ND1 3.48Å; W422-H431 WeakPolarHBondContact CZ2-ND1 3.46Å; W422-H431 AromaticContact CZ2-NE2 3.54Å; W422-H431 AromaticContact CZ3-NE2 3.88Å; W422-H431 AromaticContact NE1-CE1 3.43Å; W422-H431 PolarHBondContact NE1-CE1 3.4Å; W422-H431 AromaticContact NE1-ND1 3.24Å; W422-H431 PolarHBondContact NE1-ND1 2.95Å; W422-H431 PolarHBondContact O-CE1 3.14Å; E425-H431 IonicContact OE2-CD2 3.12Å; E425-H431 IonicContact OE2-CE1 3.5Å; E425-H431 IonicContact OE2-NE2 3.91Å; E425-H431 PolarHBondContact OE2-NE2 2.92Å; L426-H431 HydrophobicContact CD1-CB 4.08Å; H431-L433 PolarHBondContact O-N 2.94Å; H431-L438 HydrophobicContact CB-CD1 4.3Å
432A86.1Confident85.5Confident30 Ų3049.3 Ų49.325%0.24828%0.283CS..PPolyproline II helixtrans-59.8132.2172.700000110.3L340 K434 L438L340-A432 PolarHBondContact O-N 3.07Å; A432-K434 PolarHBondContact O-N 2.97Å; A432-L438 WeakPolarHBondContact O-CD1 3.42Å
433L84.3Confident84.8Confident99 Ų9952.2 Ų52.252%0.51830%0.299SS..PPolyproline II helixtrans-61.8122-175.6-173.271.9000111.2H431 P435 T439H431-L433 PolarHBondContact O-N 2.94Å; L433-P435 HydrophobicContact CD2-CG 4.48Å; L433-P435 HydrophobicContact CG-CG 4.47Å; L433-P435 WeakPolarHBondContact O-CD 3.4Å; L433-T439 VanDerWaalsContact CD1-O 3.27Å; L433-T439 WeakPolarHBondContact CD1-O 3.21Å
434K84Confident84.4Confident19 Ų1948.8 Ų48.88%0.08328%0.281CS..  trans-111.491.3171.6-63178.3-177.6177.20109.3N272 S273 G339 A432 N436 Y437 L438 Y628N272-K434 PolarHBondContact O-NZ 2.98Å; S273-K434 PolarHBondContact OG-NZ 2.9Å; G339-K434 WeakPolarHBondContact O-CE 3.12Å; G339-K434 PolarHBondContact O-NZ 2.86Å; A432-K434 PolarHBondContact O-N 2.97Å; K434-N436 PolarHBondContact O-N 2.75Å; K434-Y437 HydrophobicContact CB-CD1 4.07Å; K434-Y437 HydrophobicContact CB-CG 4.46Å; K434-Y437 HydrophobicContact CD-CD1 3.8Å; K434-Y437 HydrophobicContact CD-CE1 4.13Å; K434-Y437 PolarHBondContact O-N 3.11Å; K434-L438 HydrophobicContact CB-CD1 4.01Å; K434-L438 HydrophobicContact CB-CG 4.08Å; K434-L438 HydrophobicContact CD-CD1 4.4Å; K434-L438 HydrophobicContact CG-CD1 4.13Å; K434-L438 PolarHBondContact O-N 2.9Å; K434-Y628 VanDerWaalsContact C-OH 3.22Å; K434-Y628 WeakPolarHBondContact CA-OH 3.45Å
435P77.6Confident83.2Confident62 Ų6249 Ų4940%0.40329%0.287SS..THydrogen-bonded Turntrans-52.9136.2-178-28.935.8000113.2L433 Y437 Y628L433-P435 HydrophobicContact CD2-CG 4.48Å; L433-P435 HydrophobicContact CG-CG 4.47Å; L433-P435 WeakPolarHBondContact O-CD 3.4Å; P435-Y437 PolarHBondContact O-N 2.86Å; P435-Y628 WeakPolarHBondContact CD-OH 3.46Å; P435-Y628 PolarHBondContact O-OH 3.31Å; P435-Y628 VanDerWaalsContact O-OH 3.11Å
436N76.1Confident82.1Confident149 Ų14953.7 Ų53.780%0.79731%0.312SS*.THydrogen-bonded Turntrans64.510.2-175.7-46.2-75.3000115.8K434K434-N436 PolarHBondContact O-N 2.75Å
437Y82.3Confident81.2Confident48 Ų4854.7 Ų54.719%0.18832%0.319CS..THydrogen-bonded Turntrans-123.8-45175.1-176.2-97.7000111.1K434 P435 Q450 C451K434-Y437 HydrophobicContact CB-CD1 4.07Å; K434-Y437 HydrophobicContact CB-CG 4.46Å; K434-Y437 HydrophobicContact CD-CD1 3.8Å; K434-Y437 HydrophobicContact CD-CE1 4.13Å; K434-Y437 PolarHBondContact O-N 3.11Å; P435-Y437 PolarHBondContact O-N 2.86Å; Y437-Q450 HydrophobicContact CD2-CG 3.94Å; Y437-Q450 HydrophobicContact CE2-CG 3.85Å; Y437-C451 HydrophobicContact CD1-CB 3.85Å; Y437-C451 HydrophobicContact CD2-CB 4.31Å; Y437-C451 HydrophobicContact CE1-CB 3.62Å; Y437-C451 HydrophobicContact CE2-CB 4.11Å; Y437-C451 HydrophobicContact CG-CB 4.2Å; Y437-C451 VanDerWaalsContact O-CB 3.28Å; Y437-C451 WeakPolarHBondContact O-CB 3.41Å
438L81.6Confident80.3Confident19 Ų1959.4 Ų59.410%0.09934%0.34CS..SBendtrans-99166.4167.3-61.4173.6000110.9W422 H431 A432 K434 C444 C451W422-L438 HydrophobicContact CH2-CD2 3.59Å; W422-L438 HydrophobicContact CZ2-CD1 4.48Å; W422-L438 HydrophobicContact CZ2-CD2 3.64Å; H431-L438 HydrophobicContact CB-CD1 4.3Å; A432-L438 WeakPolarHBondContact O-CD1 3.42Å; K434-L438 HydrophobicContact CB-CD1 4.01Å; K434-L438 HydrophobicContact CB-CG 4.08Å; K434-L438 HydrophobicContact CD-CD1 4.4Å; K434-L438 HydrophobicContact CG-CD1 4.13Å; K434-L438 PolarHBondContact O-N 2.9Å; L438-C444 HydrophobicContact CD2-CB 3.77Å; L438-C451 HydrophobicContact CD2-CB 4.45Å
439T77.5Confident80Confident36 Ų3658.1 Ų58.122%0.22133%0.325CS..  trans-71.3170.6167.465.60000111.1L433 D441 G442 L443 P445L433-T439 VanDerWaalsContact CD1-O 3.27Å; L433-T439 WeakPolarHBondContact CD1-O 3.21Å; T439-D441 PolarHBondContact O-N 3.04Å; T439-D441 VanDerWaalsContact O-N 3.17Å; T439-G442 PolarHBondContact O-N 3.32Å; T439-L443 PolarHBondContact N-O 3.24Å; T439-L443 PolarHBondContact OG1-N 3.18Å; T439-L443 PolarHBondContact OG1-O 2.99Å; T439-P445 HydrophobicContact CG2-CG 3.81Å
440V70.7Confident79.8Confident129 Ų12957.3 Ų57.378%0.78232%0.323SS*.THydrogen-bonded Turntrans-58.2-26.8177.6-65.20000113.4G442V440-G442 VanDerWaalsContact C-N 3.29Å; V440-G442 PolarHBondContact O-N 2.79Å
441D68.2Low79.8Confident121 Ų12152.9 Ų52.965%0.64729%0.292SS*.THydrogen-bonded Turntrans-88.512.7178-38.9-75.3000113.1T439 L443T439-D441 PolarHBondContact O-N 3.04Å; T439-D441 VanDerWaalsContact O-N 3.17Å; D441-L443 HydrophobicContact CB-CD1 4.39Å; D441-L443 HydrophobicContact CB-CG 4.28Å; D441-L443 PolarHBondContact O-N 3.42Å
442G69.2Low79.8Confident7 Ų752.2 Ų52.27%0.07229%0.289CS..SBendtrans72.46.7-177.900000114.9W422 T439 V440W422-G442 WeakPolarHBondContact CZ2-O 3.35Å; T439-G442 PolarHBondContact O-N 3.32Å; V440-G442 VanDerWaalsContact C-N 3.29Å; V440-G442 PolarHBondContact O-N 2.79Å
443L79.4Confident80.2Confident75 Ų7550.8 Ų50.839%0.39328%0.277SS..  trans-85.4157.5-177-58.2175.3000112.1T439 D441 P445T439-L443 PolarHBondContact N-O 3.24Å; T439-L443 PolarHBondContact OG1-N 3.18Å; T439-L443 PolarHBondContact OG1-O 2.99Å; D441-L443 HydrophobicContact CB-CD1 4.39Å; D441-L443 HydrophobicContact CB-CG 4.28Å; D441-L443 PolarHBondContact O-N 3.42Å; L443-P445 HydrophobicContact CB-CB 4.32Å; L443-P445 HydrophobicContact CB-CG 3.93Å; L443-P445 VanDerWaalsContact O-CD 3.29Å; L443-P445 WeakPolarHBondContact O-CD 3.12Å
444C85.7Confident80.7Confident2 Ų246.2 Ų46.21%0.01425%0.253CS..  trans-110.749.4165.2-168.10000112.1W418 W422 L438 L446 C451 R452W418-C444 HydrophobicContact CZ2-CB 4.08Å; W418-C444 PolarHBondContact NE1-O 2.93Å; W422-C444 HydrophobicContact CD2-CB 3.93Å; W422-C444 HydrophobicContact CE3-CB 3.62Å; W422-C444 HydrophobicContact CH2-CB 3.4Å; W422-C444 VanDerWaalsContact CH2-CB 3.4Å; W422-C444 HydrophobicContact CZ2-CB 3.68Å; W422-C444 HydrophobicContact CZ3-CB 3.35Å; L438-C444 HydrophobicContact CD2-CB 3.77Å; C444-L446 PolarHBondContact O-N 3.15Å; C444-C451 HydrophobicContact CB-CB 4.3Å; C444-C451 WeakPolarHBondContact CB-SG 3.4Å; C444-C451 VanDerWaalsContact SG-C 3.52Å; C444-C451 WeakPolarHBondContact SG-CB 3.44Å; C444-C451 CovalentContact SG-SG 2.04Å; C444-C451 PolarHBondContact SG-SG 3.24Å; C444-R452 PolarHBondContact O-NH2 3.37Å; C444-R452 VanDerWaalsContact O-NH2 3.1Å; C444-R452 PolarHBondContact SG-N 3.24Å
445P71Confident81.2Confident43 Ų4345.3 Ų45.328%0.27925%0.249SC..  trans-85.2-13.7-162.939.2-34.3000112.6T439 L443 A447 R452T439-P445 HydrophobicContact CG2-CG 3.81Å; L443-P445 HydrophobicContact CB-CB 4.32Å; L443-P445 HydrophobicContact CB-CG 3.93Å; L443-P445 VanDerWaalsContact O-CD 3.29Å; L443-P445 WeakPolarHBondContact O-CD 3.12Å; P445-A447 PolarHBondContact O-N 3.3Å; P445-R452 PolarHBondContact O-NH2 2.91Å
446L72.6Confident82Confident99 Ų9942.4 Ų42.452%0.51823%0.23SC..  trans-79.2111.1-176.2-62.6-178.7000110.1C444 S449C444-L446 PolarHBondContact O-N 3.15Å; L446-S449 VanDerWaalsContact O-CB 3.32Å; L446-S449 WeakPolarHBondContact O-CB 3.41Å; L446-S449 PolarHBondContact O-N 3.18Å; L446-S449 PolarHBondContact O-OG 2.73Å
447A76.8Confident83Confident20 Ų2035.3 Ų35.317%0.16519%0.192CC..THydrogen-bonded Turntrans-55.2142.3161.800000109.6K412 E413 P445 S449K412-A447 WeakPolarHBondContact O-CB 3.3Å; E413-A447 HydrophobicContact CG-CB 4.34Å; P445-A447 PolarHBondContact O-N 3.3Å; A447-S449 VanDerWaalsContact C-N 3.29Å; A447-S449 PolarHBondContact O-N 3.17Å
448K77.2Confident83.7Confident99 Ų9933 Ų3343%0.4318%0.183SC..THydrogen-bonded Turntrans61.630.2-176.5-40.2171.5-167.8148.50114.5I477 Q481 F493K448-I477 WeakPolarHBondContact O-CG2 3.14Å; K448-Q481 PolarHBondContact O-NE2 2.87Å; K448-F493 HydrophobicContact CB-CD2 3.8Å; K448-F493 HydrophobicContact CB-CE2 3.63Å; K448-F493 HydrophobicContact CB-CG 4.39Å; K448-F493 HydrophobicContact CB-CZ 4.09Å; K448-F493 HydrophobicContact CD-CD2 4.32Å; K448-F493 HydrophobicContact CG-CB 4.44Å; K448-F493 HydrophobicContact CG-CD1 4.23Å; K448-F493 HydrophobicContact CG-CD2 3.67Å; K448-F493 HydrophobicContact CG-CE2 4Å; K448-F493 HydrophobicContact CG-CG 3.83Å; K448-F493 HydrophobicContact CG-CZ 4.44Å
449S85.8Confident84.5Confident11 Ų1132.1 Ų32.18%0.07718%0.179CC..  trans-90.6162.4167.358.60000112L446 A447 R452 C453L446-S449 VanDerWaalsContact O-CB 3.32Å; L446-S449 WeakPolarHBondContact O-CB 3.41Å; L446-S449 PolarHBondContact O-N 3.18Å; L446-S449 PolarHBondContact O-OG 2.73Å; A447-S449 VanDerWaalsContact C-N 3.29Å; A447-S449 PolarHBondContact O-N 3.17Å; S449-R452 PolarHBondContact OG-N 3.38Å; S449-C453 WeakPolarHBondContact O-CB 3.44Å; S449-C453 PolarHBondContact O-N 3.5Å; S449-C453 VanDerWaalsContact O-N 3.09Å
450Q88.7Confident85.4Confident28 Ų2830.9 Ų30.913%0.13117%0.17CC..Hα-helixtrans-52.1-56169.1179.571.64200110.9Y437 R452 C453 D454 C474 K475Y437-Q450 HydrophobicContact CD2-CG 3.94Å; Y437-Q450 HydrophobicContact CE2-CG 3.85Å; Q450-R452 PolarHBondContact O-N 2.83Å; Q450-C453 WeakPolarHBondContact O-CA 3.46Å; Q450-C453 WeakPolarHBondContact O-CB 3.33Å; Q450-C453 PolarHBondContact O-N 2.86Å; Q450-D454 VanDerWaalsContact NE2-CG 3.27Å; Q450-D454 PolarHBondContact NE2-OD1 3.22Å; Q450-D454 VanDerWaalsContact NE2-OD1 3.08Å; Q450-D454 PolarHBondContact NE2-OD2 2.61Å; Q450-D454 PolarHBondContact O-N 3.03Å; Q450-C474 PolarHBondContact OE1-O 2.98Å; Q450-K475 VanDerWaalsContact OE1-CA 3.26Å
451C90.9Very high86.6Confident1 Ų126.1 Ų26.11%0.00714%0.139CC..Hα-helixtrans-53-52.7-176.8163.30000111.7Y437 L438 C444 C453 D454 H455Y437-C451 HydrophobicContact CD1-CB 3.85Å; Y437-C451 HydrophobicContact CD2-CB 4.31Å; Y437-C451 HydrophobicContact CE1-CB 3.62Å; Y437-C451 HydrophobicContact CE2-CB 4.11Å; Y437-C451 HydrophobicContact CG-CB 4.2Å; Y437-C451 VanDerWaalsContact O-CB 3.28Å; Y437-C451 WeakPolarHBondContact O-CB 3.41Å; L438-C451 HydrophobicContact CD2-CB 4.45Å; C444-C451 HydrophobicContact CB-CB 4.3Å; C444-C451 WeakPolarHBondContact CB-SG 3.4Å; C444-C451 VanDerWaalsContact SG-C 3.52Å; C444-C451 WeakPolarHBondContact SG-CB 3.44Å; C444-C451 CovalentContact SG-SG 2.04Å; C444-C451 PolarHBondContact SG-SG 3.24Å; C451-C453 VanDerWaalsContact C-N 3.26Å; C451-C453 PolarHBondContact O-N 3.1Å; C451-D454 PolarHBondContact O-N 2.93Å; C451-H455 WeakPolarHBondContact O-CB 3.46Å; C451-H455 PolarHBondContact O-N 2.93Å
452R91.3Very high88Confident0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-65.2-32.2-179.7-172.9173.3-58.1175.76.4112.3F410 K412 W418 C444 P445 S449 Q450 L456F410-R452 WeakPolarHBondContact O-CD 3Å; F410-R452 PolarHBondContact O-NH1 3.32Å; K412-R452 PolarHBondContact O-NH1 3.24Å; K412-R452 VanDerWaalsContact O-NH1 3.15Å; W418-R452 HydrophobicContact CD2-CG 4.46Å; W418-R452 HydrophobicContact CE3-CG 4.22Å; W418-R452 VanDerWaalsContact CG-CZ 3.44Å; W418-R452 VanDerWaalsContact CG-NH2 3.29Å; W418-R452 HydrophobicContact CH2-CB 4.42Å; W418-R452 HydrophobicContact CH2-CG 3.82Å; W418-R452 HydrophobicContact CZ2-CB 4.39Å; W418-R452 HydrophobicContact CZ2-CG 4.08Å; W418-R452 HydrophobicContact CZ3-CG 3.91Å; C444-R452 PolarHBondContact O-NH2 3.37Å; C444-R452 VanDerWaalsContact O-NH2 3.1Å; C444-R452 PolarHBondContact SG-N 3.24Å; P445-R452 PolarHBondContact O-NH2 2.91Å; S449-R452 PolarHBondContact OG-N 3.38Å; Q450-R452 PolarHBondContact O-N 2.83Å; R452-L456 HydrophobicContact CG-CD1 3.69Å; R452-L456 HydrophobicContact CG-CG 4.14Å; R452-L456 VanDerWaalsContact O-CB 3.31Å; R452-L456 WeakPolarHBondContact O-CB 3.25Å; R452-L456 WeakPolarHBondContact O-CG 3.49Å; R452-L456 PolarHBondContact O-N 2.9Å; R452-L456 VanDerWaalsContact O-N 3.11Å
453C93.8Very high89.4Confident0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-64.5-51.2176-1720000111.4S449 Q450 C451 H455 L456 C457 C474 I477 M492 F493S449-C453 WeakPolarHBondContact O-CB 3.44Å; S449-C453 PolarHBondContact O-N 3.5Å; S449-C453 VanDerWaalsContact O-N 3.09Å; Q450-C453 WeakPolarHBondContact O-CA 3.46Å; Q450-C453 WeakPolarHBondContact O-CB 3.33Å; Q450-C453 PolarHBondContact O-N 2.86Å; C451-C453 VanDerWaalsContact C-N 3.26Å; C451-C453 PolarHBondContact O-N 3.1Å; C453-H455 PolarHBondContact O-N 3.44Å; C453-L456 PolarHBondContact O-N 3.42Å; C453-C457 PolarHBondContact O-N 3.39Å; C453-C457 PolarHBondContact O-SG 3.16Å; C453-C474 HydrophobicContact CB-CB 3.65Å; C453-C474 WeakPolarHBondContact CB-SG 3.22Å; C453-C474 WeakPolarHBondContact SG-CA 3.23Å; C453-C474 WeakPolarHBondContact SG-CB 3.23Å; C453-C474 CovalentContact SG-SG 2.03Å; C453-C474 PolarHBondContact SG-SG 3.07Å; C453-I477 HydrophobicContact CB-CD1 3.5Å; C453-I477 VanDerWaalsContact CB-CD1 3.5Å; C453-I477 WeakPolarHBondContact SG-CD1 3.43Å; C453-M492 HydrophobicContact CB-CE 4.29Å; C453-M492 HydrophobicContact CB-SD 4.41Å; C453-M492 WeakPolarHBondContact O-CE 3.26Å; C453-M492 VanDerWaalsContact SG-SD 3.67Å; C453-F493 HydrophobicContact CB-CZ 4.28Å
454D93.6Very high90.1Very high2 Ų218.6 Ų18.61%0.01110%0.097CC..Hα-helixtrans-60.9-45.2-179.4-69.9-28.8000111.5P274 Q275 Q450 C451 L456 C457 A458 L471 C474P274-D454 HydrophobicContact CG-CB 3.92Å; Q275-D454 PolarHBondContact NE2-OD1 3.41Å; Q275-D454 PolarHBondContact NE2-OD2 3.25Å; Q450-D454 VanDerWaalsContact NE2-CG 3.27Å; Q450-D454 PolarHBondContact NE2-OD1 3.22Å; Q450-D454 VanDerWaalsContact NE2-OD1 3.08Å; Q450-D454 PolarHBondContact NE2-OD2 2.61Å; Q450-D454 PolarHBondContact O-N 3.03Å; C451-D454 PolarHBondContact O-N 2.93Å; D454-L456 PolarHBondContact O-N 2.69Å; D454-C457 WeakPolarHBondContact O-CB 2.96Å; D454-C457 PolarHBondContact O-N 3.16Å; D454-A458 PolarHBondContact O-N 3.27Å; D454-L471 HydrophobicContact CB-CD2 3.95Å; D454-L471 VanDerWaalsContact OD1-CD2 3.28Å; D454-L471 WeakPolarHBondContact OD1-CD2 3.23Å; D454-C474 WeakPolarHBondContact OD1-CB 3.37Å
455H94.5Very high90.6Very high1 Ų121.7 Ų21.71%0.00512%0.118CC..Hα-helixtrans-55.4-49.3175.6-133.893.4000111.6E271 W418 Y421 W422 E425 C451 C453 A458 M459E271-H455 HydrophobicContact CB-CB 4.42Å; E271-H455 VanDerWaalsContact CG-CD2 3.48Å; E271-H455 WeakPolarHBondContact CG-CD2 3.46Å; E271-H455 WeakPolarHBondContact CG-NE2 3.27Å; E271-H455 WeakPolarHBondContact O-CA 3.19Å; E271-H455 PolarHBondContact O-ND1 3.26Å; W418-H455 HydrophobicContact CH2-CB 3.84Å; W418-H455 AromaticContact CH2-CD2 3.66Å; W418-H455 AromaticContact CH2-CG 3.79Å; Y421-H455 AromaticContact CE1-CD2 3.68Å; Y421-H455 AromaticContact CE1-NE2 3.53Å; Y421-H455 AromaticContact CZ-NE2 3.76Å; Y421-H455 PolarHBondContact OH-NE2 2.88Å; W422-H455 AromaticContact CZ3-CE1 3.56Å; W422-H455 AromaticContact CZ3-ND1 3.9Å; E425-H455 IonicContact OE1-CE1 2.84Å; E425-H455 PolarHBondContact OE1-CE1 3.08Å; E425-H455 IonicContact OE1-NE2 2.73Å; E425-H455 PolarHBondContact OE1-NE2 3.11Å; E425-H455 IonicContact OE2-CE1 2.74Å; E425-H455 IonicContact OE2-NE2 3.89Å; E425-H455 PolarHBondContact OE2-NE2 2.9Å; C451-H455 WeakPolarHBondContact O-CB 3.46Å; C451-H455 PolarHBondContact O-N 2.93Å; C453-H455 PolarHBondContact O-N 3.44Å; H455-A458 PolarHBondContact O-N 3.37Å; H455-M459 WeakPolarHBondContact O-CG 3.33Å; H455-M459 PolarHBondContact O-N 2.83Å; H455-M459 VanDerWaalsContact O-N 3.13Å
456L95.7Very high91.7Very high0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-73.8-24.9-179-68.6176.3000113.1W407 F410 L411 W418 R452 C453 D454 M459 M492W407-L456 HydrophobicContact CG-CD2 4.31Å; W407-L456 HydrophobicContact CZ2-CB 4.24Å; W407-L456 PolarHBondContact NE1-O 3.31Å; F410-L456 HydrophobicContact CB-CD1 4.09Å; F410-L456 HydrophobicContact CB-CD2 3.63Å; F410-L456 HydrophobicContact CB-CG 4.48Å; F410-L456 HydrophobicContact CD2-CD2 3.72Å; F410-L456 HydrophobicContact CG-CD2 4.19Å; L411-L456 HydrophobicContact CD2-CD1 3.66Å; L411-L456 HydrophobicContact CG-CD1 4.07Å; W418-L456 HydrophobicContact CZ3-CD2 4.03Å; W418-L456 HydrophobicContact CZ3-CG 4.24Å; R452-L456 HydrophobicContact CG-CD1 3.69Å; R452-L456 HydrophobicContact CG-CG 4.14Å; R452-L456 VanDerWaalsContact O-CB 3.31Å; R452-L456 WeakPolarHBondContact O-CB 3.25Å; R452-L456 WeakPolarHBondContact O-CG 3.49Å; R452-L456 PolarHBondContact O-N 2.9Å; R452-L456 VanDerWaalsContact O-N 3.11Å; C453-L456 PolarHBondContact O-N 3.42Å; D454-L456 PolarHBondContact O-N 2.69Å; L456-M459 HydrophobicContact CD2-SD 3.83Å; L456-M492 HydrophobicContact CB-CE 3.91Å
457C96.7Very high92.8Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-64.5-52.4168.9-73.50000110.5C453 D454 M459 R460 F461 L467 C470 L471 C474C453-C457 PolarHBondContact O-N 3.39Å; C453-C457 PolarHBondContact O-SG 3.16Å; D454-C457 WeakPolarHBondContact O-CB 2.96Å; D454-C457 PolarHBondContact O-N 3.16Å; C457-M459 VanDerWaalsContact C-N 3.3Å; C457-M459 PolarHBondContact O-N 3.08Å; C457-R460 PolarHBondContact O-N 3.4Å; C457-F461 HydrophobicContact CB-CD2 4.44Å; C457-F461 WeakPolarHBondContact O-CD2 2.95Å; C457-F461 PolarHBondContact O-N 3.14Å; C457-L467 HydrophobicContact CB-CD1 4Å; C457-C470 HydrophobicContact CB-CB 3.76Å; C457-C470 WeakPolarHBondContact CB-SG 3.22Å; C457-C470 WeakPolarHBondContact SG-CB 3.44Å; C457-C470 CovalentContact SG-SG 2.03Å; C457-C470 PolarHBondContact SG-SG 3.11Å; C457-L471 HydrophobicContact CB-CD2 3.78Å; C457-L471 HydrophobicContact CB-CG 4.49Å; C457-C474 PolarHBondContact SG-SG 2.78Å
458A96.9Very high93.7Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-58.6-39.6179.400000112.8E271 P274 R313 D454 H455 R460 L462E271-A458 VanDerWaalsContact CA-CB 3.49Å; E271-A458 HydrophobicContact CB-CB 3.83Å; P274-A458 HydrophobicContact CB-CB 4.05Å; R313-A458 WeakPolarHBondContact CD-O 3.45Å; D454-A458 PolarHBondContact O-N 3.27Å; H455-A458 PolarHBondContact O-N 3.37Å; A458-R460 PolarHBondContact O-N 3.41Å; A458-L462 WeakPolarHBondContact O-CD2 3.33Å
459M97.5Very high94.6Very high0 Ų017.9 Ų17.90%010%0.095CC..THydrogen-bonded Turntrans-59.8-22.5174.5-76.8-175.8171.300114.9F312 R313 L314 F410 Y421 H455 L456 C457F312-M459 HydrophobicContact CE1-CE 4.28Å; F312-M459 HydrophobicContact CE1-SD 4.45Å; F312-M459 HydrophobicContact CZ-SD 4.22Å; R313-M459 CarbonylContact C-O 3.45Å; R313-M459 WeakPolarHBondContact CA-O 3.45Å; L314-M459 PolarHBondContact N-O 3.26Å; F410-M459 HydrophobicContact CD2-SD 4.23Å; F410-M459 HydrophobicContact CE2-CE 4.21Å; F410-M459 HydrophobicContact CE2-SD 4.22Å; Y421-M459 HydrophobicContact CD1-CE 4.22Å; Y421-M459 HydrophobicContact CD2-CE 4.45Å; Y421-M459 HydrophobicContact CE1-CE 3.45Å; Y421-M459 VanDerWaalsContact CE1-CE 3.45Å; Y421-M459 HydrophobicContact CE2-CE 3.74Å; Y421-M459 WeakPolarHBondContact OH-CE 2.43Å; H455-M459 WeakPolarHBondContact O-CG 3.33Å; H455-M459 PolarHBondContact O-N 2.83Å; H455-M459 VanDerWaalsContact O-N 3.13Å; L456-M459 HydrophobicContact CD2-SD 3.83Å; C457-M459 VanDerWaalsContact C-N 3.3Å; C457-M459 PolarHBondContact O-N 3.08Å
460R96.9Very high95Very high11 Ų1117.5 Ų17.54%0.0429%0.093CC..THydrogen-bonded Turntrans-121-39.2-169.6-174.8-179.5-178.486.13.6114.4V316 N320 H404 W407 C457 A458 L462V316-R460 HydrophobicContact CG2-CG 3.91Å; N320-R460 PolarHBondContact O-NH2 3.12Å; N320-R460 PolarHBondContact OD1-NH2 2.84Å; H404-R460 PolarHBondContact CE1-NH1 3.22Å; H404-R460 PolarHBondContact ND1-NH1 3.31Å; H404-R460 VanDerWaalsContact ND1-NH1 3.16Å; W407-R460 HydrophobicContact CZ2-CB 4Å; W407-R460 HydrophobicContact CZ2-CG 4.37Å; C457-R460 PolarHBondContact O-N 3.4Å; A458-R460 PolarHBondContact O-N 3.41Å; R460-L462 PolarHBondContact O-N 2.86Å
461F96.9Very high95.2Very high29 Ų2916.3 Ų16.313%0.1279%0.087CC..  trans-10190.1-171.7-62-84.9000109C457 D466 L467 C470C457-F461 HydrophobicContact CB-CD2 4.44Å; C457-F461 WeakPolarHBondContact O-CD2 2.95Å; C457-F461 PolarHBondContact O-N 3.14Å; F461-D466 HydrophobicContact CD1-CB 4.05Å; F461-L467 HydrophobicContact CB-CB 4.17Å; F461-L467 HydrophobicContact CB-CD1 4.37Å; F461-L467 WeakPolarHBondContact O-CB 3.07Å; F461-C470 HydrophobicContact CD2-CB 3.88Å; F461-C470 WeakPolarHBondContact CD2-SG 3.31Å; F461-C470 HydrophobicContact CE2-CB 4.12Å; F461-C470 WeakPolarHBondContact CE2-SG 3.29Å; F461-C470 HydrophobicContact CG-CB 4.29Å
462L97.4Very high95.3Very high7 Ų721.5 Ų21.54%0.03711%0.111CC..  trans-89.6-15.2-176.6-50.6-178000113.2N285 V289 R313 L315 L326 A458 R460N285-L462 PolarHBondContact ND2-O 3.45Å; V289-L462 HydrophobicContact CG1-CB 4.14Å; V289-L462 HydrophobicContact CG2-CB 3.83Å; R313-L462 HydrophobicContact CB-CD1 3.99Å; R313-L462 HydrophobicContact CB-CD2 3.92Å; R313-L462 HydrophobicContact CG-CD2 4.12Å; L315-L462 HydrophobicContact CD1-CD1 4.12Å; L326-L462 HydrophobicContact CD1-CD1 3.73Å; A458-L462 WeakPolarHBondContact O-CD2 3.33Å; R460-L462 PolarHBondContact O-N 2.86Å
463I97.2Very high95.3Very high30 Ų3023.4 Ų23.415%0.15412%0.121CC..SBendtrans-79.3121.3166.4-66.3-62000107.6D286 V289 S465 D466 L467D286-I463 HydrophobicContact CB-CD1 3.96Å; V289-I463 HydrophobicContact CB-CD1 3.86Å; V289-I463 HydrophobicContact CG1-CD1 3.55Å; V289-I463 HydrophobicContact CG1-CG1 3.92Å; I463-S465 VanDerWaalsContact C-N 3.27Å; I463-S465 WeakPolarHBondContact CG2-OG 3.39Å; I463-S465 PolarHBondContact O-N 3.28Å; I463-D466 PolarHBondContact O-N 2.84Å; I463-D466 VanDerWaalsContact O-N 3.1Å; I463-L467 PolarHBondContact O-N 3.45Å
464L95.1Very high95.2Very high8 Ų823.4 Ų23.44%0.04212%0.121CC..Hα-helixtrans-67-28.1-166.9-58.9179.9000113.2Q278 P282 N285 D286 L467 N468Q278-L464 HydrophobicContact CB-CD1 4.47Å; Q278-L464 HydrophobicContact CB-CD2 4.47Å; Q278-L464 HydrophobicContact CG-CD2 4.03Å; P282-L464 HydrophobicContact CB-CD1 3.85Å; P282-L464 HydrophobicContact CG-CD1 3.96Å; N285-L464 HydrophobicContact CB-CD1 4.17Å; N285-L464 HydrophobicContact CB-CG 4.44Å; D286-L464 PolarHBondContact OD1-N 2.99Å; D286-L464 VanDerWaalsContact OD1-N 3.15Å; L464-L467 HydrophobicContact CD2-CD2 4.14Å; L464-N468 WeakPolarHBondContact O-CB 3.35Å; L464-N468 VanDerWaalsContact O-CG 3.23Å; L464-N468 PolarHBondContact O-N 3.12Å; L464-N468 PolarHBondContact O-ND2 3.34Å; L464-N468 VanDerWaalsContact O-ND2 3.09Å
465S95.3Very high94.8Very high66 Ų6626.9 Ų26.946%0.46214%0.136SC..Hα-helixtrans-67.8-38.1174.6550000112.9I463 K469I463-S465 VanDerWaalsContact C-N 3.27Å; I463-S465 WeakPolarHBondContact CG2-OG 3.39Å; I463-S465 PolarHBondContact O-N 3.28Å; S465-K469 WeakPolarHBondContact O-CG 3.36Å; S465-K469 PolarHBondContact O-N 2.99Å
466D95.3Very high94.1Very high43 Ų4330.8 Ų30.823%0.2316%0.157CC..Hα-helixtrans-78.9-31.1175.6-67.5-38.7000112F461 I463 K469 C470F461-D466 HydrophobicContact CD1-CB 4.05Å; I463-D466 PolarHBondContact O-N 2.84Å; I463-D466 VanDerWaalsContact O-N 3.1Å; D466-K469 PolarHBondContact O-N 2.98Å; D466-K469 IonicContact OD1-NZ 3.14Å; D466-K469 PolarHBondContact OD1-NZ 3.13Å; D466-C470 PolarHBondContact O-N 2.78Å
467L96.3Very high93.1Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-57.2-53168.1179.960.1000110.6A269 C457 F461 I463 L464 K469 C470 L471A269-L467 HydrophobicContact CB-CD2 3.47Å; A269-L467 VanDerWaalsContact CB-CD2 3.47Å; C457-L467 HydrophobicContact CB-CD1 4Å; F461-L467 HydrophobicContact CB-CB 4.17Å; F461-L467 HydrophobicContact CB-CD1 4.37Å; F461-L467 WeakPolarHBondContact O-CB 3.07Å; I463-L467 PolarHBondContact O-N 3.45Å; L464-L467 HydrophobicContact CD2-CD2 4.14Å; L467-K469 VanDerWaalsContact C-N 3.29Å; L467-K469 PolarHBondContact O-N 3.04Å; L467-C470 WeakPolarHBondContact O-CA 3.41Å; L467-C470 VanDerWaalsContact O-CB 3.32Å; L467-C470 WeakPolarHBondContact O-CB 3.36Å; L467-C470 PolarHBondContact O-N 2.88Å; L467-L471 HydrophobicContact CD1-CD1 4.05Å; L467-L471 HydrophobicContact CD1-CD2 4.26Å; L467-L471 HydrophobicContact CD1-CG 4Å; L467-L471 HydrophobicContact CD2-CD1 4.43Å; L467-L471 HydrophobicContact CG-CD1 3.86Å; L467-L471 HydrophobicContact CG-CG 4.2Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 2.87Å
468N95.4Very high91.3Very high74 Ų7436.6 Ų36.640%0.39618%0.182SC..Hα-helixtrans-59.3-38.7-179.7-75.3-32.4000112L464 L471 Q472L464-N468 WeakPolarHBondContact O-CB 3.35Å; L464-N468 VanDerWaalsContact O-CG 3.23Å; L464-N468 PolarHBondContact O-N 3.12Å; L464-N468 PolarHBondContact O-ND2 3.34Å; L464-N468 VanDerWaalsContact O-ND2 3.09Å; N468-L471 PolarHBondContact O-N 2.96Å; N468-Q472 WeakPolarHBondContact O-CB 3.36Å; N468-Q472 WeakPolarHBondContact O-CG 3.22Å; N468-Q472 PolarHBondContact O-N 2.9Å
469K94.6Very high89Confident64 Ų6443 Ų4328%0.27821%0.208SC..Hα-helixtrans-60.3-44.8171-68.1173.8-169.2169.80112S465 D466 L467 Q472 L473 I509S465-K469 WeakPolarHBondContact O-CG 3.36Å; S465-K469 PolarHBondContact O-N 2.99Å; D466-K469 PolarHBondContact O-N 2.98Å; D466-K469 IonicContact OD1-NZ 3.14Å; D466-K469 PolarHBondContact OD1-NZ 3.13Å; L467-K469 VanDerWaalsContact C-N 3.29Å; L467-K469 PolarHBondContact O-N 3.04Å; K469-Q472 PolarHBondContact O-N 3.17Å; K469-L473 WeakPolarHBondContact O-CG 3.44Å; K469-L473 PolarHBondContact O-N 3.02Å; K469-L473 VanDerWaalsContact O-N 3.12Å; K469-I509 HydrophobicContact CB-CG1 4.39Å; K469-I509 HydrophobicContact CD-CB 4.3Å; K469-I509 HydrophobicContact CD-CG1 4.14Å; K469-I509 HydrophobicContact CD-CG2 3.78Å; K469-I509 PolarHBondContact NZ-O 3.48Å
470C95.1Very high86.9Confident4 Ų445.4 Ų45.43%0.02722%0.22CC..Hα-helixtrans-61.7-47.4178.2-165.50000111.9C457 F461 D466 L467 Q472 L473 C474C457-C470 HydrophobicContact CB-CB 3.76Å; C457-C470 WeakPolarHBondContact CB-SG 3.22Å; C457-C470 WeakPolarHBondContact SG-CB 3.44Å; C457-C470 CovalentContact SG-SG 2.03Å; C457-C470 PolarHBondContact SG-SG 3.11Å; F461-C470 HydrophobicContact CD2-CB 3.88Å; F461-C470 WeakPolarHBondContact CD2-SG 3.31Å; F461-C470 HydrophobicContact CE2-CB 4.12Å; F461-C470 WeakPolarHBondContact CE2-SG 3.29Å; F461-C470 HydrophobicContact CG-CB 4.29Å; D466-C470 PolarHBondContact O-N 2.78Å; L467-C470 WeakPolarHBondContact O-CA 3.41Å; L467-C470 VanDerWaalsContact O-CB 3.32Å; L467-C470 WeakPolarHBondContact O-CB 3.36Å; L467-C470 PolarHBondContact O-N 2.88Å; C470-Q472 VanDerWaalsContact C-N 3.32Å; C470-Q472 PolarHBondContact O-N 3.47Å; C470-L473 WeakPolarHBondContact O-CB 3.19Å; C470-L473 PolarHBondContact O-N 2.72Å; C470-C474 PolarHBondContact O-N 2.71Å; C470-C474 PolarHBondContact O-SG 2.97Å
471L94Very high84.8Confident3 Ų350.3 Ų50.32%0.01624%0.243CC..Hα-helixtrans-67-28.8178.7-59.9176.6000113.2P274 Q275 D454 C457 L467 N468 C474 K475P274-L471 HydrophobicContact CB-CD1 3.91Å; P274-L471 HydrophobicContact CB-CD2 4.1Å; P274-L471 HydrophobicContact CG-CD1 4.09Å; P274-L471 HydrophobicContact CG-CD2 3.56Å; P274-L471 HydrophobicContact CG-CG 4.49Å; Q275-L471 HydrophobicContact CG-CD1 4.22Å; D454-L471 HydrophobicContact CB-CD2 3.95Å; D454-L471 VanDerWaalsContact OD1-CD2 3.28Å; D454-L471 WeakPolarHBondContact OD1-CD2 3.23Å; C457-L471 HydrophobicContact CB-CD2 3.78Å; C457-L471 HydrophobicContact CB-CG 4.49Å; L467-L471 HydrophobicContact CD1-CD1 4.05Å; L467-L471 HydrophobicContact CD1-CD2 4.26Å; L467-L471 HydrophobicContact CD1-CG 4Å; L467-L471 HydrophobicContact CD2-CD1 4.43Å; L467-L471 HydrophobicContact CG-CD1 3.86Å; L467-L471 HydrophobicContact CG-CG 4.2Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 2.87Å; N468-L471 PolarHBondContact O-N 2.96Å; L471-C474 PolarHBondContact O-N 3.15Å; L471-K475 WeakPolarHBondContact O-CG 3.5Å; L471-K475 PolarHBondContact O-N 2.88Å
472Q92.9Very high82.7Confident110 Ų11054.3 Ų54.351%0.51427%0.27SS..Hα-helixtrans-68.8-47.2171.7-68.6-76.978.600110.6N468 K469 C470 C474 K475N468-Q472 WeakPolarHBondContact O-CB 3.36Å; N468-Q472 WeakPolarHBondContact O-CG 3.22Å; N468-Q472 PolarHBondContact O-N 2.9Å; K469-Q472 PolarHBondContact O-N 3.17Å; C470-Q472 VanDerWaalsContact C-N 3.32Å; C470-Q472 PolarHBondContact O-N 3.47Å; Q472-C474 PolarHBondContact O-N 2.91Å; Q472-K475 WeakPolarHBondContact O-CB 3.28Å; Q472-K475 PolarHBondContact O-N 3.2Å; Q472-K475 VanDerWaalsContact O-N 3.08Å
473L91.2Very high80.2Confident39 Ų3959.7 Ų59.720%0.20430%0.299CS..Hα-helixtrans-58.5-34.7172.8-67.8171000112K469 C470 K475 D476 H490 L505 I509K469-L473 WeakPolarHBondContact O-CG 3.44Å; K469-L473 PolarHBondContact O-N 3.02Å; K469-L473 VanDerWaalsContact O-N 3.12Å; C470-L473 WeakPolarHBondContact O-CB 3.19Å; C470-L473 PolarHBondContact O-N 2.72Å; L473-K475 VanDerWaalsContact C-N 3.29Å; L473-K475 PolarHBondContact O-N 2.89Å; L473-D476 PolarHBondContact O-N 3.1Å; L473-H490 PolarHBondContact O-CE1 3.04Å; L473-H490 PolarHBondContact O-NE2 3.31Å; L473-L505 HydrophobicContact CD1-CD1 4.45Å; L473-I509 HydrophobicContact CD1-CD1 4.29Å
474C90.4Very high77.6Confident0 Ų062.2 Ų62.20%031%0.312CS..Hα-helixtrans-59-39.7175.8-66.30000112.8Q450 C453 D454 C457 C470 L471 Q472 D476 I477Q450-C474 PolarHBondContact OE1-O 2.98Å; C453-C474 HydrophobicContact CB-CB 3.65Å; C453-C474 WeakPolarHBondContact CB-SG 3.22Å; C453-C474 WeakPolarHBondContact SG-CA 3.23Å; C453-C474 WeakPolarHBondContact SG-CB 3.23Å; C453-C474 CovalentContact SG-SG 2.03Å; C453-C474 PolarHBondContact SG-SG 3.07Å; D454-C474 WeakPolarHBondContact OD1-CB 3.37Å; C457-C474 PolarHBondContact SG-SG 2.78Å; C470-C474 PolarHBondContact O-N 2.71Å; C470-C474 PolarHBondContact O-SG 2.97Å; L471-C474 PolarHBondContact O-N 3.15Å; Q472-C474 PolarHBondContact O-N 2.91Å; C474-D476 PolarHBondContact O-N 2.79Å; C474-I477 HydrophobicContact CB-CD1 4.46Å; C474-I477 WeakPolarHBondContact O-CB 3.14Å; C474-I477 WeakPolarHBondContact O-CG1 3.47Å; C474-I477 PolarHBondContact O-N 3.2Å; C474-I477 VanDerWaalsContact O-N 3.1Å
475K85.9Confident75.2Confident76 Ų7669.5 Ų69.533%0.3335%0.352SS..Hα-helixtrans-61-29.1-179.2-65.8167.4-167.4174.80113.1Q450 L471 Q472 L473 I477 K478Q450-K475 VanDerWaalsContact OE1-CA 3.26Å; L471-K475 WeakPolarHBondContact O-CG 3.5Å; L471-K475 PolarHBondContact O-N 2.88Å; Q472-K475 WeakPolarHBondContact O-CB 3.28Å; Q472-K475 PolarHBondContact O-N 3.2Å; Q472-K475 VanDerWaalsContact O-N 3.08Å; L473-K475 VanDerWaalsContact C-N 3.29Å; L473-K475 PolarHBondContact O-N 2.89Å; K475-I477 VanDerWaalsContact C-N 3.29Å; K475-I477 PolarHBondContact O-N 2.87Å; K475-K478 WeakPolarHBondContact O-CB 3.45Å; K475-K478 PolarHBondContact O-N 3.04Å
476D79.2Confident72.8Confident83 Ų8373.5 Ų73.544%0.44436%0.363SS..Hα-helixtrans-70.4-26179.3-63.9-27.9000112.6L473 C474 K478 Y479 I480L473-D476 PolarHBondContact O-N 3.1Å; C474-D476 PolarHBondContact O-N 2.79Å; D476-K478 PolarHBondContact O-N 2.95Å; D476-Y479 PolarHBondContact O-N 3.2Å; D476-I480 PolarHBondContact O-N 2.95Å
477I74.2Confident70Confident4 Ų475 Ų752%0.02139%0.389CS..Hα-helixtrans-56.8-38.3175.1-60.4167.5000111.2K448 C453 C474 K475 Y479 I480 Q481 H490 F493K448-I477 WeakPolarHBondContact O-CG2 3.14Å; C453-I477 HydrophobicContact CB-CD1 3.5Å; C453-I477 VanDerWaalsContact CB-CD1 3.5Å; C453-I477 WeakPolarHBondContact SG-CD1 3.43Å; C474-I477 HydrophobicContact CB-CD1 4.46Å; C474-I477 WeakPolarHBondContact O-CB 3.14Å; C474-I477 WeakPolarHBondContact O-CG1 3.47Å; C474-I477 PolarHBondContact O-N 3.2Å; C474-I477 VanDerWaalsContact O-N 3.1Å; K475-I477 VanDerWaalsContact C-N 3.29Å; K475-I477 PolarHBondContact O-N 2.87Å; I477-Y479 PolarHBondContact O-N 2.99Å; I477-I480 PolarHBondContact O-N 3.33Å; I477-I480 VanDerWaalsContact O-N 3.13Å; I477-Q481 HydrophobicContact CG2-CG 4.24Å; I477-Q481 PolarHBondContact O-N 3.44Å; I477-H490 WeakPolarHBondContact CG1-ND1 3.36Å; I477-F493 HydrophobicContact CD1-CE2 3.48Å; I477-F493 VanDerWaalsContact CD1-CE2 3.48Å; I477-F493 HydrophobicContact CD1-CZ 3.59Å; I477-F493 HydrophobicContact CG1-CE2 4.01Å
478K59Low67.5Low117 Ų11781.3 Ų81.351%0.50942%0.421SS..Hα-helixtrans-61.3-28.8179.9-171.8174.1179.3175.60112.5K475 D476 V482K475-K478 WeakPolarHBondContact O-CB 3.45Å; K475-K478 PolarHBondContact O-N 3.04Å; D476-K478 PolarHBondContact O-N 2.95Å; K478-V482 WeakPolarHBondContact O-CG2 3.4Å
479Y50.2Low65.4Low136 Ų13683.8 Ų83.853%0.53343%0.431SS..Hα-helixtrans-79.8-36.5175.3-67.2-83.1000112.4D476 I477 V482 N483D476-Y479 PolarHBondContact O-N 3.2Å; I477-Y479 PolarHBondContact O-N 2.99Å; Y479-V482 PolarHBondContact O-N 3.02Å; Y479-N483 PolarHBondContact O-ND2 2.95Å
480I53.2Low63.3Low50 Ų5081.5 Ų81.526%0.25642%0.421SS..Hα-helixtrans-66.8-45.9179.4-59.9171.6000110.8D476 I477 V482 N483 D484 H490D476-I480 PolarHBondContact O-N 2.95Å; I477-I480 PolarHBondContact O-N 3.33Å; I477-I480 VanDerWaalsContact O-N 3.13Å; I480-V482 PolarHBondContact O-N 3.39Å; I480-N483 PolarHBondContact O-N 3.25Å; I480-N483 VanDerWaalsContact O-N 3.13Å; I480-D484 HydrophobicContact CG2-CB 4.3Å; I480-D484 PolarHBondContact O-N 3.04Å; I480-D484 VanDerWaalsContact O-N 3.17Å; I480-H490 HydrophobicContact CD1-CB 3.96Å
481Q52.3Low61.3Low113 Ų11383.7 Ų83.753%0.52844%0.435SS..Hα-helixtrans-61.3-14.1-179.2-73.1-164.5-44.600114.6K448 I477K448-Q481 PolarHBondContact O-NE2 2.87Å; I477-Q481 HydrophobicContact CG2-CG 4.24Å; I477-Q481 PolarHBondContact O-N 3.44Å
482V51.7Low59.6Low114 Ų11484.3 Ų84.369%0.69144%0.438SS*.Hα-helixtrans-97.8-19.3-179.5175.70000112.7K478 Y479 I480K478-V482 WeakPolarHBondContact O-CG2 3.4Å; Y479-V482 PolarHBondContact O-N 3.02Å; I480-V482 PolarHBondContact O-N 3.39Å
483N47Very low57.9Low120 Ų12080 Ų8064%0.64242%0.418SS*.Hα-helixtrans-129.1-29.4-164.9-63.8-76.2000116.2Y479 I480Y479-N483 PolarHBondContact O-ND2 2.95Å; I480-N483 PolarHBondContact O-N 3.25Å; I480-N483 VanDerWaalsContact O-N 3.13Å
484D40.9Very low55.7Low82 Ų8280 Ų8044%0.43942%0.419SS..  trans-113100.6-166.6-82.2-59.1000114.9I480 H486I480-D484 HydrophobicContact CG2-CB 4.3Å; I480-D484 PolarHBondContact O-N 3.04Å; I480-D484 VanDerWaalsContact O-N 3.17Å; D484-H486 PolarHBondContact O-N 3.13Å; D484-H486 VanDerWaalsContact O-N 3.14Å
485D44.5Very low53.2Low162 Ų16283.4 Ų83.487%0.86644%0.441SS*.  trans-76.320.9158-156.419.1000111.3
486H45.4Very low51.2Low150 Ų15083.5 Ų83.569%0.69445%0.445SS*.SBendtrans-132.244.4-160.5-77.92.4000114.1D484 L488D484-H486 PolarHBondContact O-N 3.13Å; D484-H486 VanDerWaalsContact O-N 3.14Å; H486-L488 VanDerWaalsContact C-N 3.28Å; H486-L488 PolarHBondContact O-N 2.89Å
487G37.8Very low49.2Very low75 Ų7586.1 Ų86.177%0.77345%0.454SS*.  trans70.6-0.8142.300000119.3Q489G487-Q489 PolarHBondContact O-N 3.43Å
488L42Very low47.3Very low131 Ų13193.4 Ų93.469%0.68649%0.493SS*.  trans-65.5103.1170.6-86.2116000110.2H486 H490H486-L488 VanDerWaalsContact C-N 3.28Å; H486-L488 PolarHBondContact O-N 2.89Å; L488-H490 PolarHBondContact O-N 3.34Å
489Q51.8Low46.1Very low127 Ų12794.7 Ų94.759%0.59351%0.505SS*.  trans-65.3104.8167.1-73.8-172.5-18.600108.8G487 T494G487-Q489 PolarHBondContact O-N 3.43Å; Q489-T494 HydrophobicContact CB-CG2 3.92Å
490H51.8Low45.4Very low16 Ų1696.5 Ų96.57%0.07452%0.516CS..  trans-48.7133.2170.1-179.9-107.2000109.7L473 I477 I480 L488 M492 F493L473-H490 PolarHBondContact O-CE1 3.04Å; L473-H490 PolarHBondContact O-NE2 3.31Å; I477-H490 WeakPolarHBondContact CG1-ND1 3.36Å; I480-H490 HydrophobicContact CD1-CB 3.96Å; L488-H490 PolarHBondContact O-N 3.34Å; H490-M492 PolarHBondContact O-N 2.88Å; H490-F493 HydrophobicContact CB-CD2 3.99Å; H490-F493 HydrophobicContact CB-CE2 4.4Å; H490-F493 AromaticContact ND1-CE2 3.87Å; H490-F493 PolarHBondContact O-N 2.99Å
491P52.5Low44.4Very low49 Ų4996.2 Ų96.232%0.31852%0.519SS..G310 helixtrans-50.6-38.3-167-33.939.1000114.8F493 T494 L505P491-F493 PolarHBondContact O-N 2.82Å; P491-T494 PolarHBondContact O-N 3.49Å; P491-T494 VanDerWaalsContact O-N 3.08Å; P491-T494 PolarHBondContact O-OG1 3.35Å; P491-L505 HydrophobicContact CB-CD1 3.62Å
492M57.8Low43.5Very low17 Ų1793.6 Ų93.68%0.08451%0.512CS..G310 helixtrans-61.8-22.7179.5-158.4-100.1-164.800114.2L411 C453 L456 H490 L505L411-M492 HydrophobicContact CD2-CE 4.18Å; L411-M492 HydrophobicContact CD2-SD 3.63Å; C453-M492 HydrophobicContact CB-CE 4.29Å; C453-M492 HydrophobicContact CB-SD 4.41Å; C453-M492 WeakPolarHBondContact O-CE 3.26Å; C453-M492 VanDerWaalsContact SG-SD 3.67Å; L456-M492 HydrophobicContact CB-CE 3.91Å; H490-M492 PolarHBondContact O-N 2.88Å; M492-L505 HydrophobicContact CB-CD1 4.38Å
493F56.9Low42.9Very low20 Ų2091.9 Ų91.99%0.08850%0.499CS..G310 helixtrans-106.99.3177-49.2-58.1000113.6L411 K448 C453 I477 H490 P491 P495L411-F493 HydrophobicContact CD2-CD1 3.91Å; L411-F493 HydrophobicContact CD2-CE1 4Å; K448-F493 HydrophobicContact CB-CD2 3.8Å; K448-F493 HydrophobicContact CB-CE2 3.63Å; K448-F493 HydrophobicContact CB-CG 4.39Å; K448-F493 HydrophobicContact CB-CZ 4.09Å; K448-F493 HydrophobicContact CD-CD2 4.32Å; K448-F493 HydrophobicContact CG-CB 4.44Å; K448-F493 HydrophobicContact CG-CD1 4.23Å; K448-F493 HydrophobicContact CG-CD2 3.67Å; K448-F493 HydrophobicContact CG-CE2 4Å; K448-F493 HydrophobicContact CG-CG 3.83Å; K448-F493 HydrophobicContact CG-CZ 4.44Å; C453-F493 HydrophobicContact CB-CZ 4.28Å; I477-F493 HydrophobicContact CD1-CE2 3.48Å; I477-F493 VanDerWaalsContact CD1-CE2 3.48Å; I477-F493 HydrophobicContact CD1-CZ 3.59Å; I477-F493 HydrophobicContact CG1-CE2 4.01Å; H490-F493 HydrophobicContact CB-CD2 3.99Å; H490-F493 HydrophobicContact CB-CE2 4.4Å; H490-F493 AromaticContact ND1-CE2 3.87Å; H490-F493 PolarHBondContact O-N 2.99Å; P491-F493 PolarHBondContact O-N 2.82Å; F493-P495 WeakPolarHBondContact O-CD 3.23Å
494T46.3Very low42.3Very low39 Ų3988.9 Ų88.924%0.23949%0.487CS..SBendtrans-70.6124.417259.70000109.5Q489 P491 I496Q489-T494 HydrophobicContact CB-CG2 3.92Å; P491-T494 PolarHBondContact O-N 3.49Å; P491-T494 VanDerWaalsContact O-N 3.08Å; P491-T494 PolarHBondContact O-OG1 3.35Å; T494-I496 PolarHBondContact O-N 3.35Å
495P38.2Very low42.5Very low70 Ų7086.4 Ų86.446%0.45547%0.474SS..  trans-63.3128-175.3-25.835.6000112.8F493 H497F493-P495 WeakPolarHBondContact O-CD 3.23Å; P495-H497 PolarHBondContact O-N 3.39Å
496I43.3Very low42.3Very low79 Ų7980.6 Ų80.641%0.40544%0.443SS..  trans-7377.7174.7-50176.8000109.3T494T494-I496 PolarHBondContact O-N 3.35Å
497H36Very low42Very low138 Ų13877 Ų7764%0.63943%0.429SS*.  trans-79.9142.6165-77.9-64.4000110.2P495 N499 S501P495-H497 PolarHBondContact O-N 3.39Å; H497-N499 PolarHBondContact O-N 3.23Å; H497-S501 PolarHBondContact O-OG 3.14Å
498N35.2Very low42.2Very low157 Ų15776.7 Ų76.784%0.8441%0.414SS*.THydrogen-bonded Turntrans-7239.5-173.5-70-19.5000114.9
499N34.1Very low42.5Very low144 Ų14471.1 Ų71.177%0.7739%0.385SS*.THydrogen-bonded Turntrans-148.396.2175.5-92.1-52.4000110.9H497 S501H497-N499 PolarHBondContact O-N 3.23Å; N499-S501 PolarHBondContact O-N 3.33Å
500K34.8Very low42Very low173 Ų17369 Ų6975%0.75238%0.377SS*.THydrogen-bonded Turntrans56.7-11169.7-66.2-170.9175-171.20118.6S502 I503K500-S502 PolarHBondContact O-N 3.41Å; K500-I503 HydrophobicContact CB-CD1 4.18Å; K500-I503 HydrophobicContact CG-CD1 4.37Å; K500-I503 WeakPolarHBondContact O-CB 3.23Å; K500-I503 WeakPolarHBondContact O-CD1 3.42Å; K500-I503 VanDerWaalsContact O-CG1 3.23Å; K500-I503 WeakPolarHBondContact O-CG1 3.31Å; K500-I503 PolarHBondContact O-N 3.33Å
501S31.4Very low41.4Very low45 Ų4573.8 Ų73.832%0.31540%0.402SS..THydrogen-bonded Turntrans-75.8-19.8-179.760.60000114.1H497 N499 I503 S504H497-S501 PolarHBondContact O-OG 3.14Å; N499-S501 PolarHBondContact O-N 3.33Å; S501-I503 PolarHBondContact O-N 3.42Å; S501-S504 PolarHBondContact O-N 3.05Å; S501-S504 PolarHBondContact O-OG 3.15Å
502S35.1Very low40.9Very low57 Ų5780.5 Ų80.540%0.39943%0.43SS..THydrogen-bonded Turntrans-59.6-10.7169.956.10000114.2K500K500-S502 PolarHBondContact O-N 3.41Å
503I38.6Very low40.1Very low78 Ų7883 Ų8340%0.445%0.448SS..Hα-helixtrans-74.3-30.4173.8-62.5178000110.8K500 S501 N506 D507K500-I503 HydrophobicContact CB-CD1 4.18Å; K500-I503 HydrophobicContact CG-CD1 4.37Å; K500-I503 WeakPolarHBondContact O-CB 3.23Å; K500-I503 WeakPolarHBondContact O-CD1 3.42Å; K500-I503 VanDerWaalsContact O-CG1 3.23Å; K500-I503 WeakPolarHBondContact O-CG1 3.31Å; K500-I503 PolarHBondContact O-N 3.33Å; S501-I503 PolarHBondContact O-N 3.42Å; I503-N506 PolarHBondContact O-N 3.24Å; I503-D507 HydrophobicContact CG2-CB 4.29Å; I503-D507 VanDerWaalsContact CG2-OD1 3.27Å; I503-D507 WeakPolarHBondContact CG2-OD1 3.31Å; I503-D507 WeakPolarHBondContact CG2-OD2 3.16Å; I503-D507 WeakPolarHBondContact O-CB 3.33Å; I503-D507 PolarHBondContact O-N 3.1Å
504S34.6Very low39.1Very low58 Ų5885.5 Ų85.541%0.40647%0.468SS..Hα-helixtrans-63.7-54-170.959.90000114S501 N506 S508S501-S504 PolarHBondContact O-N 3.05Å; S501-S504 PolarHBondContact O-OG 3.15Å; S504-N506 VanDerWaalsContact C-N 3.33Å; S504-S508 PolarHBondContact O-N 3.43Å; S504-S508 PolarHBondContact O-OG 3.14Å; S504-S508 VanDerWaalsContact O-OG 3.12Å
505L43.6Very low38.5Very low30 Ų3091.6 Ų91.616%0.15750%0.5CS..Hα-helixtrans-65-39.9178.5-159.6101000111.4L473 P491 M492 S508 I509L473-L505 HydrophobicContact CD1-CD1 4.45Å; P491-L505 HydrophobicContact CB-CD1 3.62Å; M492-L505 HydrophobicContact CB-CD1 4.38Å; L505-S508 PolarHBondContact O-OG 3.28Å; L505-I509 HydrophobicContact CD2-CD1 4.02Å; L505-I509 HydrophobicContact CG-CD1 4.2Å; L505-I509 WeakPolarHBondContact O-CB 3.16Å; L505-I509 WeakPolarHBondContact O-CG1 3.19Å; L505-I509 PolarHBondContact O-N 2.91Å
506N41.6Very low38.6Very low39 Ų3994.2 Ų94.221%0.20951%0.514CS..Hα-helixtrans-77.9-33.3-173.7-74.39.2000112.2N320 I503 S504 I509 M510N320-N506 PolarHBondContact ND2-ND2 2.97Å; N320-N506 VanDerWaalsContact ND2-ND2 3.15Å; I503-N506 PolarHBondContact O-N 3.24Å; S504-N506 VanDerWaalsContact C-N 3.33Å; N506-I509 CarbonylContact O-C 3.59Å; N506-I509 WeakPolarHBondContact O-CA 3.4Å; N506-I509 PolarHBondContact O-N 2.85Å; N506-M510 WeakPolarHBondContact O-CB 3.15Å; N506-M510 WeakPolarHBondContact O-CG 3.05Å; N506-M510 PolarHBondContact O-N 2.91Å
507D39.7Very low38.2Very low76 Ų7698.2 Ų98.241%0.40654%0.536SS..Hα-helixtrans-66.2-39.5174-85.819.3000111.2I503 I509 M510 N511I503-D507 HydrophobicContact CG2-CB 4.29Å; I503-D507 VanDerWaalsContact CG2-OD1 3.27Å; I503-D507 WeakPolarHBondContact CG2-OD1 3.31Å; I503-D507 WeakPolarHBondContact CG2-OD2 3.16Å; I503-D507 WeakPolarHBondContact O-CB 3.33Å; I503-D507 PolarHBondContact O-N 3.1Å; D507-I509 PolarHBondContact O-N 2.84Å; D507-M510 PolarHBondContact O-N 3.34Å; D507-N511 WeakPolarHBondContact CB-ND2 3.24Å; D507-N511 VanDerWaalsContact O-CB 3.24Å; D507-N511 WeakPolarHBondContact O-CB 3.32Å; D507-N511 PolarHBondContact O-N 2.92Å; D507-N511 PolarHBondContact O-ND2 2.73Å
508S41.5Very low38.2Very low67 Ų6796.4 Ų96.447%0.46954%0.539SS..Hα-helixtrans-64.4-25170.444.10000113.2S504 L505S504-S508 PolarHBondContact O-N 3.43Å; S504-S508 PolarHBondContact O-OG 3.14Å; S504-S508 VanDerWaalsContact O-OG 3.12Å; L505-S508 PolarHBondContact O-OG 3.28Å
509I47.8Very low38.4Very low15 Ų1596.8 Ų96.88%0.07754%0.541CS..Hα-helixtrans-93-18.7-178.9-78.7174.2000113K469 L473 L505 N506 D507 S513K469-I509 HydrophobicContact CB-CG1 4.39Å; K469-I509 HydrophobicContact CD-CB 4.3Å; K469-I509 HydrophobicContact CD-CG1 4.14Å; K469-I509 HydrophobicContact CD-CG2 3.78Å; K469-I509 PolarHBondContact NZ-O 3.48Å; L473-I509 HydrophobicContact CD1-CD1 4.29Å; L505-I509 HydrophobicContact CD2-CD1 4.02Å; L505-I509 HydrophobicContact CG-CD1 4.2Å; L505-I509 WeakPolarHBondContact O-CB 3.16Å; L505-I509 WeakPolarHBondContact O-CG1 3.19Å; L505-I509 PolarHBondContact O-N 2.91Å; N506-I509 CarbonylContact O-C 3.59Å; N506-I509 WeakPolarHBondContact O-CA 3.4Å; N506-I509 PolarHBondContact O-N 2.85Å; D507-I509 PolarHBondContact O-N 2.84Å; I509-S513 PolarHBondContact O-OG 3.44Å
510M40.8Very low39Very low83 Ų8398.5 Ų98.541%0.40955%0.545SS..Hα-helixtrans-113.8-32.3-172.6-68-73.8174.400114.1N506 D507 E512 S513 S514N506-M510 WeakPolarHBondContact O-CB 3.15Å; N506-M510 WeakPolarHBondContact O-CG 3.05Å; N506-M510 PolarHBondContact O-N 2.91Å; D507-M510 PolarHBondContact O-N 3.34Å; M510-E512 PolarHBondContact O-N 2.86Å; M510-S513 PolarHBondContact O-N 3.22Å; M510-S513 VanDerWaalsContact O-N 3.14Å; M510-S514 VanDerWaalsContact O-CB 3.31Å; M510-S514 WeakPolarHBondContact O-CB 3.01Å; M510-S514 PolarHBondContact O-N 2.95Å; M510-S514 PolarHBondContact O-OG 2.84Å
511N39.2Very low39.7Very low115 Ų115100.8 Ų100.862%0.61555%0.548SS*.THydrogen-bonded Turntrans-64.8-25.5-176.3-81.2-51.1000113.4D507D507-N511 WeakPolarHBondContact CB-ND2 3.24Å; D507-N511 VanDerWaalsContact O-CB 3.24Å; D507-N511 WeakPolarHBondContact O-CB 3.32Å; D507-N511 PolarHBondContact O-N 2.92Å; D507-N511 PolarHBondContact O-ND2 2.73Å
512E43Very low41Very low191 Ų191102.5 Ų102.589%0.89356%0.561SS**THydrogen-bonded Turntrans-88.8-15.1175.9-63.1-163.5141.700113.9M510M510-E512 PolarHBondContact O-N 2.86Å
513S40Very low42.6Very low68 Ų68103.3 Ų103.348%0.47657%0.566SS.*SBendtrans-11616-174.267.80000115.3I509 M510I509-S513 PolarHBondContact O-OG 3.44Å; M510-S513 PolarHBondContact O-N 3.22Å; M510-S513 VanDerWaalsContact O-N 3.14Å
514S36.3Very low44.1Very low73 Ų73104.4 Ų104.451%0.5157%0.572SS.*  trans-122.232.9-171.155.60000115.7M510 V516M510-S514 VanDerWaalsContact O-CB 3.31Å; M510-S514 WeakPolarHBondContact O-CB 3.01Å; M510-S514 PolarHBondContact O-N 2.95Å; M510-S514 PolarHBondContact O-OG 2.84Å; S514-V516 PolarHBondContact O-N 2.82Å; S514-V516 VanDerWaalsContact O-N 3.07Å
515N34.5Very low46.2Very low168 Ų168105.9 Ų105.990%0.89858%0.58SS**  trans-84.447.8170.4-153.21.3000112.6
516V39.7Very low47.8Very low124 Ų124112.3 Ų112.375%0.75260%0.604SS**SBendtrans-140131.4179.9-178.20000109.7S514 S518S514-V516 PolarHBondContact O-N 2.82Å; S514-V516 VanDerWaalsContact O-N 3.07Å; V516-S518 PolarHBondContact O-N 3.41Å; V516-S518 VanDerWaalsContact O-N 3.17Å
517N34Very low49.6Very low163 Ų163114.6 Ų114.687%0.87262%0.615SS**  trans-63.1110.2-171.9-73.9-56.1000114.4
518S37.6Very low51.8Low100 Ų100115.4 Ų115.470%0.69962%0.618SS**  trans-107.189.8171.158.90000112.3V516 E520V516-S518 PolarHBondContact O-N 3.41Å; V516-S518 VanDerWaalsContact O-N 3.17Å; S518-E520 PolarHBondContact O-N 2.96Å
519N38.6Very low53.9Low165 Ų165114 Ų11488%0.88262%0.615SS**  trans-76.952.9171-91.8-42.2000112.1R521N519-R521 PolarHBondContact O-N 3.38Å
520E47.5Very low55.8Low180 Ų180117.9 Ų117.984%0.84164%0.639SS**  trans-80104.1176.7-68.4-155.3141.200111.2S518 S522S518-E520 PolarHBondContact O-N 2.96Å; E520-S522 PolarHBondContact O-N 3.25Å
521R48.3Very low58Low221 Ų221118.4 Ų118.483%0.83464%0.643SS**  trans-65.9123.2170-81.5-178.7167.6175.7-3.3110N519 S523N519-R521 PolarHBondContact O-N 3.38Å; R521-S523 PolarHBondContact O-N 3.35Å
522S58.9Low60.5Low82 Ų82116.8 Ų116.857%0.57364%0.637SS**  trans-51.1133.6170.7-176.80000111.6E520 L524 P525E520-S522 PolarHBondContact O-N 3.25Å; S522-L524 PolarHBondContact O-N 2.85Å; S522-L524 WeakPolarHBondContact OG-CB 3.31Å; S522-L524 PolarHBondContact OG-N 3.08Å; S522-P525 WeakPolarHBondContact O-CD 3.4Å
523S68.6Low62.7Low73 Ų73110 Ų11051%0.5161%0.614SS.*SBendtrans-73.6-8.8177.254.40000113.9R521 P525 Y526 I527R521-S523 PolarHBondContact O-N 3.35Å; S523-P525 VanDerWaalsContact C-CD 3.41Å; S523-Y526 WeakPolarHBondContact O-CB 3.39Å; S523-Y526 PolarHBondContact O-N 2.93Å; S523-I527 PolarHBondContact O-N 3.38Å
524L70Confident65.1Low102 Ų102113.6 Ų113.653%0.53462%0.621SS.*Hα-helixtrans-52.6-40.6-176-16868.4000114.8S522 Y526 I527 I528S522-L524 PolarHBondContact O-N 2.85Å; S522-L524 WeakPolarHBondContact OG-CB 3.31Å; S522-L524 PolarHBondContact OG-N 3.08Å; L524-Y526 VanDerWaalsContact C-N 3.32Å; L524-Y526 PolarHBondContact O-N 3.43Å; L524-I527 PolarHBondContact O-N 3.21Å; L524-I528 HydrophobicContact CG-CD1 4Å; L524-I528 WeakPolarHBondContact O-CG1 3.17Å; L524-I528 PolarHBondContact O-N 3.17Å
525P79.2Confident67.8Low88 Ų88115 Ų11557%0.57162%0.622SS**Hα-helixtrans-64-35.5177.5-21.234.6000113S522 S523 G529S522-P525 WeakPolarHBondContact O-CD 3.4Å; S523-P525 VanDerWaalsContact C-CD 3.41Å; P525-G529 PolarHBondContact O-N 3.27Å
526Y76.5Confident70.6Confident166 Ų166111.7 Ų111.765%0.65161%0.608SS**Hα-helixtrans-70.2-41.9177.8-63.7-84.8000111.2S523 L524 I528 G529 V530S523-Y526 WeakPolarHBondContact O-CB 3.39Å; S523-Y526 PolarHBondContact O-N 2.93Å; L524-Y526 VanDerWaalsContact C-N 3.32Å; L524-Y526 PolarHBondContact O-N 3.43Å; Y526-I528 PolarHBondContact O-N 2.77Å; Y526-G529 PolarHBondContact O-N 2.64Å; Y526-V530 WeakPolarHBondContact O-CG2 3.41Å; Y526-V530 PolarHBondContact O-N 3.11Å
527I79.8Confident73.1Confident87 Ų87110 Ų11045%0.44660%0.597SS.*Hα-helixtrans-60.9-45.6175.6-63.3169.2000110.5S523 L524 G529 V530 I531S523-I527 PolarHBondContact O-N 3.38Å; L524-I527 PolarHBondContact O-N 3.21Å; I527-G529 PolarHBondContact O-N 3.13Å; I527-V530 PolarHBondContact O-N 2.77Å; I527-I531 HydrophobicContact CG2-CD1 3.98Å; I527-I531 WeakPolarHBondContact O-CG1 3.31Å; I527-I531 PolarHBondContact O-N 2.96Å; I527-I531 VanDerWaalsContact O-N 3.1Å
528I86.2Confident75.8Confident92 Ų92106.2 Ų106.247%0.47258%0.576SS.*Hα-helixtrans-61.7-43.3175.6-68.2167.6000110.8L524 Y526 V530 I531 V532L524-I528 HydrophobicContact CG-CD1 4Å; L524-I528 WeakPolarHBondContact O-CG1 3.17Å; L524-I528 PolarHBondContact O-N 3.17Å; Y526-I528 PolarHBondContact O-N 2.77Å; I528-V530 PolarHBondContact O-N 2.94Å; I528-I531 PolarHBondContact O-N 2.82Å; I528-V532 HydrophobicContact CG2-CG2 4.48Å; I528-V532 WeakPolarHBondContact O-CG2 3.44Å; I528-V532 PolarHBondContact O-N 3.02Å
529G85.6Confident78.3Confident39 Ų39105.7 Ų105.740%0.40257%0.569SS.*Hα-helixtrans-58.2-46.5176.800000113.4P525 Y526 I527 V532 A533P525-G529 PolarHBondContact O-N 3.27Å; Y526-G529 PolarHBondContact O-N 2.64Å; I527-G529 PolarHBondContact O-N 3.13Å; G529-V532 PolarHBondContact O-N 2.81Å; G529-A533 WeakPolarHBondContact O-CB 3.34Å; G529-A533 PolarHBondContact O-N 3.19Å
530V86.7Confident80.8Confident95 Ų9599.1 Ų99.158%0.57654%0.541SS*.Hα-helixtrans-63.7-41.7177.5172.30000111.6Y526 I527 I528 A533 F534Y526-V530 WeakPolarHBondContact O-CG2 3.41Å; Y526-V530 PolarHBondContact O-N 3.11Å; I527-V530 PolarHBondContact O-N 2.77Å; I528-V530 PolarHBondContact O-N 2.94Å; V530-A533 PolarHBondContact O-N 2.79Å; V530-F534 WeakPolarHBondContact O-CB 3.19Å; V530-F534 PolarHBondContact O-N 2.78Å
531I87.6Confident82.8Confident95 Ų9595 Ų9549%0.48752%0.523SS..Hα-helixtrans-62-44.7176.7-68.4166.6000110.8I527 I528 F534 L535I527-I531 HydrophobicContact CG2-CD1 3.98Å; I527-I531 WeakPolarHBondContact O-CG1 3.31Å; I527-I531 PolarHBondContact O-N 2.96Å; I527-I531 VanDerWaalsContact O-N 3.1Å; I528-I531 PolarHBondContact O-N 2.82Å; I531-F534 PolarHBondContact O-N 3.48Å; I531-L535 HydrophobicContact CG2-CD1 4.09Å; I531-L535 WeakPolarHBondContact O-CG 3.49Å; I531-L535 PolarHBondContact O-N 3.5Å; I531-L535 VanDerWaalsContact O-N 3.08Å
532V91.2Very high84.7Confident81 Ų8188.4 Ų88.449%0.49151%0.507SS..Hα-helixtrans-63.5-44.3177.3171.80000111.3I528 G529 F534 L535 V536I528-V532 HydrophobicContact CG2-CG2 4.48Å; I528-V532 WeakPolarHBondContact O-CG2 3.44Å; I528-V532 PolarHBondContact O-N 3.02Å; G529-V532 PolarHBondContact O-N 2.81Å; V532-F534 PolarHBondContact O-N 3.3Å; V532-L535 PolarHBondContact O-N 3.07Å; V532-V536 WeakPolarHBondContact O-CG2 3.26Å; V532-V536 PolarHBondContact O-N 3.04Å
533A89.6Confident86Confident49 Ų4989.8 Ų89.841%0.40551%0.508SS..Hα-helixtrans-59.5-44.9176.900000112.1G529 V530 L535 V536 V537G529-A533 WeakPolarHBondContact O-CB 3.34Å; G529-A533 PolarHBondContact O-N 3.19Å; V530-A533 PolarHBondContact O-N 2.79Å; A533-L535 PolarHBondContact O-N 2.96Å; A533-V536 PolarHBondContact O-N 2.99Å; A533-V537 WeakPolarHBondContact O-CG2 3.5Å; A533-V537 PolarHBondContact O-N 2.67Å
534F91.3Very high86.9Confident142 Ų14292 Ų9262%0.62351%0.513SS*.Hα-helixtrans-64.5-38.2179.3-158.7-93.5000112.5V530 I531 V532 V537 L538V530-F534 WeakPolarHBondContact O-CB 3.19Å; V530-F534 PolarHBondContact O-N 2.78Å; I531-F534 PolarHBondContact O-N 3.48Å; V532-F534 PolarHBondContact O-N 3.3Å; F534-V537 PolarHBondContact O-N 2.83Å; F534-L538 HydrophobicContact CD1-CD1 3.82Å; F534-L538 HydrophobicContact CD1-CG 4.41Å; F534-L538 HydrophobicContact CE1-CD1 3.79Å; F534-L538 HydrophobicContact CE1-CG 4.29Å; F534-L538 PolarHBondContact O-N 2.89Å
535L92.4Very high87.5Confident103 Ų10390.9 Ų90.954%0.53951%0.51SS..Hα-helixtrans-65.8-40.3174.4-71.4170.4000112.4I531 V532 A533 L538 V539I531-L535 HydrophobicContact CG2-CD1 4.09Å; I531-L535 WeakPolarHBondContact O-CG 3.49Å; I531-L535 PolarHBondContact O-N 3.5Å; I531-L535 VanDerWaalsContact O-N 3.08Å; V532-L535 PolarHBondContact O-N 3.07Å; A533-L535 PolarHBondContact O-N 2.96Å; L535-L538 PolarHBondContact O-N 3.27Å; L535-V539 WeakPolarHBondContact O-CG2 3.36Å; L535-V539 PolarHBondContact O-N 3.08Å
536V93.1Very high87.6Confident99 Ų9991.1 Ų91.160%0.651%0.506SS*.Hα-helixtrans-63.3-42.7175.5170.80000111.2V532 A533 V539 G540V532-V536 WeakPolarHBondContact O-CG2 3.26Å; V532-V536 PolarHBondContact O-N 3.04Å; A533-V536 PolarHBondContact O-N 2.99Å; V536-V539 PolarHBondContact O-N 3.47Å; V536-G540 PolarHBondContact O-N 3.33Å
537V92.8Very high87.7Confident88 Ų8892.5 Ų92.553%0.53351%0.51SS..Hα-helixtrans-62.8-44.4175.6172.20000111.4A533 F534 V539 G540 I541A533-V537 WeakPolarHBondContact O-CG2 3.5Å; A533-V537 PolarHBondContact O-N 2.67Å; F534-V537 PolarHBondContact O-N 2.83Å; V537-V539 PolarHBondContact O-N 3Å; V537-G540 PolarHBondContact O-N 3.3Å; V537-I541 HydrophobicContact CG1-CD1 3.87Å; V537-I541 HydrophobicContact CG1-CG1 4.49Å; V537-I541 WeakPolarHBondContact O-CG1 3.34Å; V537-I541 PolarHBondContact O-N 3.35Å
538L89.8Confident87.4Confident83 Ų8392.3 Ų92.344%0.43551%0.507SS..Hα-helixtrans-59.1-46.9175.7-90.5168.2000112.5F534 L535 G540 I541 V542F534-L538 HydrophobicContact CD1-CD1 3.82Å; F534-L538 HydrophobicContact CD1-CG 4.41Å; F534-L538 HydrophobicContact CE1-CD1 3.79Å; F534-L538 HydrophobicContact CE1-CG 4.29Å; F534-L538 PolarHBondContact O-N 2.89Å; L535-L538 PolarHBondContact O-N 3.27Å; L538-G540 VanDerWaalsContact C-N 3.33Å; L538-G540 PolarHBondContact O-N 3.19Å; L538-I541 PolarHBondContact O-N 2.95Å; L538-V542 WeakPolarHBondContact O-CG2 3.13Å; L538-V542 PolarHBondContact O-N 2.74Å
539V91.5Very high86.7Confident89 Ų8991.3 Ų91.354%0.53951%0.506SS..Hα-helixtrans-62.7-41176.4171.90000110.9L535 V536 V537 V542 L543L535-V539 WeakPolarHBondContact O-CG2 3.36Å; L535-V539 PolarHBondContact O-N 3.08Å; V536-V539 PolarHBondContact O-N 3.47Å; V537-V539 PolarHBondContact O-N 3Å; V539-V542 PolarHBondContact O-N 3.5Å; V539-L543 HydrophobicContact CG1-CD1 3.92Å; V539-L543 HydrophobicContact CG1-CG 4.37Å; V539-L543 WeakPolarHBondContact O-CB 3.32Å; V539-L543 VanDerWaalsContact O-CG 3.3Å; V539-L543 WeakPolarHBondContact O-CG 3.33Å; V539-L543 PolarHBondContact O-N 2.71Å
540G90Very high85.7Confident28 Ų2893.5 Ų93.529%0.28951%0.514SS..Hα-helixtrans-57.9-47.4174.200000112.9V536 V537 L538 L543 I544V536-G540 PolarHBondContact O-N 3.33Å; V537-G540 PolarHBondContact O-N 3.3Å; L538-G540 VanDerWaalsContact C-N 3.33Å; L538-G540 PolarHBondContact O-N 3.19Å; G540-L543 PolarHBondContact O-N 3.01Å; G540-I544 VanDerWaalsContact O-CG1 3.29Å; G540-I544 WeakPolarHBondContact O-CG1 3.34Å; G540-I544 PolarHBondContact O-N 3.05Å
541I90.8Very high84.5Confident93 Ų9394.4 Ų94.448%0.47751%0.512SS..Hα-helixtrans-62.2-46.1177.1-68.1166.3000110.9V537 L538 L543 I544 V545V537-I541 HydrophobicContact CG1-CD1 3.87Å; V537-I541 HydrophobicContact CG1-CG1 4.49Å; V537-I541 WeakPolarHBondContact O-CG1 3.34Å; V537-I541 PolarHBondContact O-N 3.35Å; L538-I541 PolarHBondContact O-N 2.95Å; I541-L543 VanDerWaalsContact C-N 3.32Å; I541-L543 PolarHBondContact O-N 3.2Å; I541-I544 PolarHBondContact O-N 2.93Å; I541-V545 HydrophobicContact CG2-CG2 4.33Å; I541-V545 WeakPolarHBondContact O-CG2 3.16Å; I541-V545 PolarHBondContact O-N 3.05Å
542V87Confident83Confident82 Ų8297.7 Ų97.750%0.49752%0.518SS..Hα-helixtrans-60.8-40.7178170.50000111.6L538 V539 N546L538-V542 WeakPolarHBondContact O-CG2 3.13Å; L538-V542 PolarHBondContact O-N 2.74Å; V539-V542 PolarHBondContact O-N 3.5Å; V542-N546 WeakPolarHBondContact O-CB 3.4Å; V542-N546 PolarHBondContact O-N 2.75Å
543L86.6Confident81.2Confident112 Ų112100.3 Ų100.359%0.58652%0.524SS*.Hα-helixtrans-67.6-38.7176.2-71.2172000112.6V539 G540 I541 R547V539-L543 HydrophobicContact CG1-CD1 3.92Å; V539-L543 HydrophobicContact CG1-CG 4.37Å; V539-L543 WeakPolarHBondContact O-CB 3.32Å; V539-L543 VanDerWaalsContact O-CG 3.3Å; V539-L543 WeakPolarHBondContact O-CG 3.33Å; V539-L543 PolarHBondContact O-N 2.71Å; G540-L543 PolarHBondContact O-N 3.01Å; I541-L543 VanDerWaalsContact C-N 3.32Å; I541-L543 PolarHBondContact O-N 3.2Å; L543-R547 VanDerWaalsContact O-CB 3.27Å; L543-R547 WeakPolarHBondContact O-CB 3.38Å; L543-R547 PolarHBondContact O-N 2.95Å
544I86.8Confident79.2Confident119 Ų119107.1 Ų107.161%0.6154%0.54SS*.Hα-helixtrans-66.2-45.5175.5-69.2167000110.7G540 I541 R547 E548G540-I544 VanDerWaalsContact O-CG1 3.29Å; G540-I544 WeakPolarHBondContact O-CG1 3.34Å; G540-I544 PolarHBondContact O-N 3.05Å; I541-I544 PolarHBondContact O-N 2.93Å; I544-R547 PolarHBondContact O-N 3.36Å; I544-E548 PolarHBondContact O-N 2.92Å
545V82.7Confident77Confident79 Ų79105.1 Ų105.148%0.47954%0.539SS..Hα-helixtrans-63.4-46177.9172.10000111I541 R547 E548 V549I541-V545 HydrophobicContact CG2-CG2 4.33Å; I541-V545 WeakPolarHBondContact O-CG2 3.16Å; I541-V545 PolarHBondContact O-N 3.05Å; V545-R547 VanDerWaalsContact C-N 3.34Å; V545-R547 PolarHBondContact O-N 3.35Å; V545-E548 PolarHBondContact O-N 2.71Å; V545-V549 HydrophobicContact CG1-CG2 4.34Å; V545-V549 WeakPolarHBondContact O-CB 3.42Å; V545-V549 VanDerWaalsContact O-CG2 3.31Å; V545-V549 WeakPolarHBondContact O-CG2 3.39Å; V545-V549 PolarHBondContact O-N 2.75Å
546N81.4Confident74.6Confident93 Ų93105.8 Ų105.850%0.49755%0.547SS..Hα-helixtrans-61.8-40.5174.8-85.8-12000112.1V542 E548 V549 C550V542-N546 WeakPolarHBondContact O-CB 3.4Å; V542-N546 PolarHBondContact O-N 2.75Å; N546-E548 PolarHBondContact O-N 3.34Å; N546-V549 PolarHBondContact O-N 3.23Å; N546-C550 WeakPolarHBondContact O-CB 3.07Å; N546-C550 PolarHBondContact O-N 3.37Å; N546-C550 PolarHBondContact O-SG 3.49Å; N546-C550 VanDerWaalsContact O-SG 3.34Å
547R79.3Confident71.9Confident194 Ų194110.4 Ų110.473%0.73256%0.555SS**Hα-helixtrans-60-45.1175.5179.8177.1175.3174.7-1.8111.5L543 I544 V545 H551L543-R547 VanDerWaalsContact O-CB 3.27Å; L543-R547 WeakPolarHBondContact O-CB 3.38Å; L543-R547 PolarHBondContact O-N 2.95Å; I544-R547 PolarHBondContact O-N 3.36Å; V545-R547 VanDerWaalsContact C-N 3.34Å; V545-R547 PolarHBondContact O-N 3.35Å; R547-H551 WeakPolarHBondContact O-CB 3.23Å; R547-H551 PolarHBondContact O-N 2.03Å
548E72.4Confident69.2Low83 Ų83112.9 Ų112.939%0.38856%0.56SS.*Hα-helixtrans-70.4-40-179.5-177.861.4-171.400112.4I544 V545 N546 H551 R552I544-E548 PolarHBondContact O-N 2.92Å; V545-E548 PolarHBondContact O-N 2.71Å; N546-E548 PolarHBondContact O-N 3.34Å; E548-H551 PolarHBondContact O-N 2.97Å; E548-R552 WeakPolarHBondContact O-CG 3.26Å; E548-R552 PolarHBondContact O-N 2.88Å; E548-R552 IonicContact OE1-CZ 3.17Å; E548-R552 IonicContact OE1-NE 2.74Å; E548-R552 PolarHBondContact OE1-NE 3.22Å; E548-R552 IonicContact OE1-NH2 2.74Å; E548-R552 PolarHBondContact OE1-NH2 3.21Å
549V71.4Confident66.5Low71 Ų71117.7 Ų117.743%0.4358%0.581SS.*Hα-helixtrans-62.1-46.1173.2170.50000110.8V545 N546 H551 R552 H553V545-V549 HydrophobicContact CG1-CG2 4.34Å; V545-V549 WeakPolarHBondContact O-CB 3.42Å; V545-V549 VanDerWaalsContact O-CG2 3.31Å; V545-V549 WeakPolarHBondContact O-CG2 3.39Å; V545-V549 PolarHBondContact O-N 2.75Å; N546-V549 PolarHBondContact O-N 3.23Å; V549-H551 VanDerWaalsContact C-N 3.32Å; V549-H551 PolarHBondContact O-N 3.45Å; V549-R552 PolarHBondContact O-N 3.01Å; V549-H553 PolarHBondContact O-CD2 3.42Å; V549-H553 PolarHBondContact O-N 2.93Å
550C65.2Low63.8Low86 Ų86122.1 Ų122.158%0.58160%0.595SS**Hα-helixtrans-62.6-37173.3-73.30000112.4N546 R554N546-C550 WeakPolarHBondContact O-CB 3.07Å; N546-C550 PolarHBondContact O-N 3.37Å; N546-C550 PolarHBondContact O-SG 3.49Å; N546-C550 VanDerWaalsContact O-SG 3.34Å; C550-R554 WeakPolarHBondContact O-CB 3.05Å; C550-R554 PolarHBondContact O-N 2.99Å; C550-R554 VanDerWaalsContact O-N 3.1Å
551H62.4Low61.2Low113 Ų113126.8 Ų126.852%0.52362%0.618SS.*Hα-helixtrans-67.3-40.7178.3-155.8-33.1000111.9R547 E548 V549 R554 V555R547-H551 WeakPolarHBondContact O-CB 3.23Å; R547-H551 PolarHBondContact O-N 2.03Å; E548-H551 PolarHBondContact O-N 2.97Å; V549-H551 VanDerWaalsContact C-N 3.32Å; V549-H551 PolarHBondContact O-N 3.45Å; H551-R554 PolarHBondContact O-N 2.82Å; H551-V555 WeakPolarHBondContact O-CG2 3.39Å; H551-V555 PolarHBondContact O-N 3.4Å
552R55Low58.3Low165 Ų165127.8 Ų127.862%0.62363%0.633SS**Hα-helixtrans-67-42.5176.3-70178.6-172.2-151.4-0112.1E548 V549 R554 V555E548-R552 WeakPolarHBondContact O-CG 3.26Å; E548-R552 PolarHBondContact O-N 2.88Å; E548-R552 IonicContact OE1-CZ 3.17Å; E548-R552 IonicContact OE1-NE 2.74Å; E548-R552 PolarHBondContact OE1-NE 3.22Å; E548-R552 IonicContact OE1-NH2 2.74Å; E548-R552 PolarHBondContact OE1-NH2 3.21Å; V549-R552 PolarHBondContact O-N 3.01Å; R552-R554 PolarHBondContact O-N 3.15Å; R552-V555 PolarHBondContact O-N 3.4Å
553H53.6Low55.6Low135 Ų135129 Ų12963%0.62565%0.646SS**Hα-helixtrans-62.2-29.3173.6-91.5-87.5000113.5V549V549-H553 PolarHBondContact O-CD2 3.42Å; V549-H553 PolarHBondContact O-N 2.93Å
554R48.4Very low52.9Low193 Ų193130.9 Ų130.973%0.72866%0.655SS**Hα-helixtrans-79.9-19.8179.6-151.6171.5-168169.63.8114.3C550 H551 R552C550-R554 WeakPolarHBondContact O-CB 3.05Å; C550-R554 PolarHBondContact O-N 2.99Å; C550-R554 VanDerWaalsContact O-N 3.1Å; H551-R554 PolarHBondContact O-N 2.82Å; R552-R554 PolarHBondContact O-N 3.15Å
555V45.2Very low50.3Low99 Ų99133.4 Ų133.460%0.667%0.669SS**Hα-helixtrans-83.7-30.6178.2171.90000112.2H551 R552 Y557H551-V555 WeakPolarHBondContact O-CG2 3.39Å; H551-V555 PolarHBondContact O-N 3.4Å; R552-V555 PolarHBondContact O-N 3.4Å; V555-Y557 VanDerWaalsContact C-N 3.33Å; V555-Y557 PolarHBondContact O-N 2.94Å
556V42.3Very low47.7Very low117 Ų117133.9 Ų133.971%0.70968%0.681SS**THydrogen-bonded Turntrans-77.4-14.9-177.3178.90000113.3
557Y35.3Very low45.5Very low196 Ų196137.3 Ų137.377%0.76970%0.699SS**THydrogen-bonded Turntrans-103.41.3-173.1-104.4-81.3000116.6V555V555-Y557 VanDerWaalsContact C-N 3.33Å; V555-Y557 PolarHBondContact O-N 2.94Å
558H36.2Very low43.6Very low141 Ų141134 Ų13465%0.65370%0.7SS**  trans-109.78-174.7-100.4-63000116H560H558-H560 PolarHBondContact O-N 3.13Å
559Q33.8Very low42Very low183 Ų183137.8 Ų137.886%0.85572%0.722SS**SBendtrans-85.618-177.3-147.1165.79.400114.1
560H34.8Very low40.3Very low182 Ų182137.3 Ų137.384%0.84373%0.731SS**SBendtrans-144.141.1-169.5-122.3-72.8000116.3H558H558-H560 PolarHBondContact O-N 3.13Å
561T35.2Very low39Very low127 Ų127141.3 Ų141.378%0.77974%0.743SS**  trans-148.2114.3156.245.60000110.4
562S29.9Very low37.9Very low113 Ų113143 Ų14379%0.7976%0.756SS**  trans-109.6166.1174.351.10000111.5
563S29.9Very low37Very low108 Ų108138 Ų13876%0.75576%0.756SS**  trans80155.3-178.783.20000117.6
564L29.2Very low36.2Very low151 Ų151137.8 Ų137.879%0.79177%0.765SS**  trans60.674.6165.8-67.4160.7000118.1
565L32Very low35.7Very low173 Ų173135.9 Ų135.991%0.90677%0.769SS**  170.610397.3-91.1159.3000111.2
566A29.5Very low35.8Very low88 Ų88137.5 Ų137.573%0.72778%0.781SS**  trans-117.2118.4165.500000108.7
567N34.2Very low35.5Very low165 Ų165135.9 Ų135.988%0.88279%0.789SS**  trans174.5164.1148.5-93.5-31.7000111.5
568V39.7Very low35.5Very low124 Ų124130.5 Ų130.575%0.75279%0.793SS**  trans91.990.5173.2-169.70000116.8
569I39.8Very low35.5Very low163 Ų163128.1 Ų128.184%0.83681%0.806SS**  trans54.7135.7135.8-49.7171000119.2
570G34.5Very low35.5Very low61 Ų61123 Ų12363%0.62980%0.803SS**  cis144.9126.9-8.100000116.1
571M39Very low35.5Very low170 Ų170124.8 Ų124.884%0.83781%0.809SS**  trans86.1135.9150.8-55.7-170.673.100123.5
572N38.5Very low35.4Very low149 Ų149122.6 Ų122.680%0.79781%0.811SS**  trans70.2146.8150.7-58.3-7.3000121.6
573G36.6Very low35.7Very low60 Ų60121 Ų12162%0.61981%0.813SS**  cis167.8117.2-12.200000118.2
574T37.1Very low35.9Very low131 Ų131128.3 Ų128.380%0.80482%0.824SS**  trans59.1136.2140.855.60000126
575N37.9Very low36.1Very low153 Ų153124.9 Ų124.982%0.81883%0.825SS**  trans90.7133.3139.4-73.13.8000123.9
576P45.8Very low36.1Very low132 Ų132120.5 Ų120.586%0.85782%0.822SS**  trans-122173.4168.742.8-32.4000115.5
577G36.4Very low36.2Very low84 Ų84120.4 Ų120.487%0.86683%0.83SS**  trans153.7145.7153.300000118.7
578G35.3Very low36Very low83 Ų83116.7 Ų116.786%0.85683%0.83SS**  trans115.279.5140.700000123.2
579G35.6Very low35.7Very low90 Ų90114.3 Ų114.393%0.92883%0.83SS**  67.4156.5129.500000124.5
580G34.9Very low35.2Very low77 Ų77115 Ų11579%0.79484%0.836SS**  trans143.389.1151.500000121.4
581F33.9Very low35Very low219 Ų219115.8 Ų115.896%0.96184%0.843SS**  trans31.6125.6143.6-79.9-93.4000124.8
582G33.9Very low34.5Very low81 Ų81111.9 Ų111.984%0.83584%0.838SS**  104.1122.5104.100000121.4
583G36.1Very low34Very low80 Ų80112.5 Ų112.583%0.82584%0.841SS**  trans-174.7153.4168.800000112.6
584R33.5Very low33.9Very low260 Ų260114.4 Ų114.498%0.98184%0.842SS**  trans-158.7141.6-166.5-168-175.9-173.6-1524.2115.9
585G33.9Very low33.5Very low80 Ų80115.5 Ų115.583%0.82584%0.842SS**  trans111.4153.9163.200000115.2
586G31.9Very low33Very low80 Ų80113.3 Ų113.383%0.82584%0.838SS**  cis166.6143.3-9.700000114.3
587G32.5Very low32.1Very low87 Ų87110.9 Ų110.990%0.89782%0.824SS**  trans80.8158.1176.200000115.3
588G30Very low31.7Very low87 Ų87116.9 Ų116.990%0.89783%0.827SS**  cis156.6137.1-8.600000112.6
589G32.1Very low31.3Very low73 Ų73118.6 Ų118.675%0.75382%0.816SS**  trans169.1141.5176.300000113.6
590N30.4Very low30.8Very low179 Ų179124.6 Ų124.696%0.95781%0.812SS**  trans-127.5159.4-174-64-53.1000112
591G29.2Very low30.4Very low76 Ų76124.2 Ų124.278%0.78481%0.808SS**  trans141.7145.7162.200000115.3
592A28Very low30Very low88 Ų88119 Ų11973%0.72780%0.799SS**  -177120.8-69.700000110.6
593L28.4Very low29.4Very low163 Ų163126.7 Ų126.785%0.85380%0.803SS**  trans61.4176.8143.3-61.2172.7000118.7
594P35.8Very low28.8Very low99 Ų99128.3 Ų128.364%0.64380%0.801SS**  cis-130.4-159.8-44.627.3-4.6000112.5
595I27.6Very low28.3Very low155 Ų155123.8 Ų123.880%0.79579%0.793SS**  trans80139.2156.7-51.6-178.4000115.6
596S28.4Very low27.9Very low107 Ų107127.7 Ų127.775%0.74879%0.793SS**  cis-149.9157.6-7.440.60000114.1
597S27Very low27.5Very low80 Ų80132.8 Ų132.856%0.55979%0.793SS**  trans-60.8152.3169.353.20000119.2
598F27.5Very low27.1Very low211 Ų211132.3 Ų132.393%0.92579%0.788SS**  trans-146129131-95.8-85.3000106.4
599L25.9Very low26.8Very low119 Ų119134.1 Ų134.162%0.62378%0.777SS**  cis92.8125.810.2-83.8173.6000119.4
600Y26.7Very low26.6Very low215 Ų215138.1 Ų138.184%0.84378%0.781SS**  trans67.5151175.7-65.9-76.9000118
601G26Very low26.3Very low69 Ų69137 Ų13771%0.71177%0.77SS**  cis-147-176.85.600000114.5
602S24.4Very low26Very low109 Ų109138.5 Ų138.576%0.76277%0.767SS**  trans-137.6158.1-156.5-42.60000115.2
603R22.8Very low25.7Very low244 Ų244139.9 Ų139.992%0.92177%0.767SS**  trans64146.4161.7-63.2176.9166.7-167.1-4115.5
604S23.6Very low25.6Very low113 Ų113136.3 Ų136.379%0.7977%0.77SS**  cis-172.8175.944.5-161.60000112.3
605M22.5Very low25Very low166 Ų166134.9 Ų134.982%0.81877%0.772SS**  trans-60.8158.2174.1-59.1169.7161.100115.5
606I24.3Very low24.9Very low161 Ų161131.7 Ų131.783%0.82676%0.764SS**  -177.5112.5117.3-89151.2000105.9
607K23.5Very low24.8Very low188 Ų188131.3 Ų131.382%0.81776%0.76SS**  69.5103.266.4-148.2-175.8-166.6-173.10113.3
608G25.1Very low24.8Very low77 Ų77132.2 Ų132.279%0.79476%0.758SS**  trans-145.6120172.700000110.8
609N24.4Very low24.8Very low124 Ų124125.4 Ų125.466%0.66373%0.729SS**  trans-90.7150.3177.7-70.8-7.6000110.8
610N26.8Very low24.8Very low157 Ų157121.7 Ų121.784%0.8471%0.709SS**  -166115.7128.3-85.9-31.4000106.8
611H23.7Very low25Very low155 Ų155117.2 Ų117.272%0.71869%0.691SS**  74132.767.6-92.954.6000115.4
612C22.7Very low25.2Very low108 Ų108116.8 Ų116.873%0.7368%0.675SS**  trans73.9146.1168.7-54.20000117.6
613T23.6Very low25.5Very low117 Ų117113.4 Ų113.472%0.71865%0.653SS**  cis-172.1130.9-26.231.30000109
614G24.5Very low25.9Very low89 Ų89103 Ų10392%0.91861%0.614SS**  trans74.8162.9173.900000114.4
615G23.9Very low26.2Very low68 Ų68101.3 Ų101.370%0.70159%0.594SS**  cis168.7160-2.900000110.4
616S26.5Very low26.5Very low88 Ų8895.1 Ų95.162%0.61557%0.566SS**  trans66.5132.1-162.5-98.40000112.3
617C24.8Very low26.8Very low100 Ų10091.7 Ų91.768%0.67656%0.556SS**  cis56.8104.122.1-47.40000113.1
618I27.2Very low27.2Very low98 Ų9888.6 Ų88.650%0.50354%0.541SS..  trans173.2112.7159.9-91.1-177.5000106.7D855I618-D855 VanDerWaalsContact C-OD1 3.25Å; I618-D855 WeakPolarHBondContact CA-OD1 3.46Å; I618-D855 HydrophobicContact CB-CB 4.06Å; I618-D855 WeakPolarHBondContact CB-OD1 3.24Å; I618-D855 HydrophobicContact CD1-CB 4.46Å; I618-D855 WeakPolarHBondContact CD1-OD2 3.37Å; I618-D855 HydrophobicContact CG1-CB 4.35Å; I618-D855 WeakPolarHBondContact CG1-OD1 3.45Å; I618-D855 WeakPolarHBondContact CG1-OD2 3.44Å
619E28.1Very low27.5Very low69 Ų6991.9 Ų91.932%0.32254%0.54SS..  trans170.282.6168.2-90.6-12040.500113.3T622 A853 D854 D855E619-T622 WeakPolarHBondContact OE1-CB 3.42Å; E619-T622 VanDerWaalsContact OE1-CG2 3.22Å; E619-T622 WeakPolarHBondContact OE1-CG2 3.27Å; E619-T622 PolarHBondContact OE1-OG1 3.14Å; E619-A853 WeakPolarHBondContact OE2-CA 3.22Å; E619-A853 PolarHBondContact OE2-N 2.9Å; E619-D854 WeakPolarHBondContact CA-O 3.34Å; E619-D854 VanDerWaalsContact CG-O 3.31Å; E619-D854 WeakPolarHBondContact CG-O 3.23Å; E619-D854 PolarHBondContact OE2-N 2.87Å; E619-D855 PolarHBondContact N-OD1 3.4Å; E619-D855 VanDerWaalsContact N-OD1 3.15Å
620L26.6Very low27.7Very low40 Ų4093.3 Ų93.321%0.20955%0.547CS..  trans-135.270.4157.8-96.9-173.2000111.1H87 D89H87-L620 HydrophobicContact CB-CD1 4.1Å; D89-L620 WeakPolarHBondContact OD2-CB 3.39Å; D89-L620 WeakPolarHBondContact OD2-CD1 3.25Å
621R30.8Very low28.1Very low122 Ų12292.8 Ų92.846%0.4654%0.538SS..SBendtrans-137.3-17.6176.3-129-174-17299.11.9115.2H625 D855 E856R621-H625 PolarHBondContact O-CD2 3.03Å; R621-D855 VanDerWaalsContact CB-O 3.3Å; R621-D855 WeakPolarHBondContact CB-O 3.47Å; R621-D855 WeakPolarHBondContact CD-O 3.48Å; R621-D855 WeakPolarHBondContact CG-O 3.23Å; R621-D855 PolarHBondContact NH1-O 2.93Å; R621-E856 PolarHBondContact NH1-O 2.97Å
622T29.6Very low28.6Very low60 Ų6092.5 Ų92.537%0.36853%0.532SS..G310 helixtrans-103.1-13.1-140.229.80000116.8Y277 E619 F624Y277-T622 WeakPolarHBondContact CE1-O 3.4Å; Y277-T622 PolarHBondContact OH-O 2.85Å; E619-T622 WeakPolarHBondContact OE1-CB 3.42Å; E619-T622 VanDerWaalsContact OE1-CG2 3.22Å; E619-T622 WeakPolarHBondContact OE1-CG2 3.27Å; E619-T622 PolarHBondContact OE1-OG1 3.14Å; T622-F624 PolarHBondContact O-N 3.41Å
623A31.2Very low28.9Very low37 Ų3793.1 Ų93.131%0.30653%0.534SS..G310 helixtrans-64.2-7.8170.900000113.5Y277Y277-A623 WeakPolarHBondContact CD2-O 3.19Å; Y277-A623 WeakPolarHBondContact CE2-O 3.39Å; Y277-A623 VanDerWaalsContact CZ-O 3.23Å
624F31.4Very low29.4Very low25 Ų2596.1 Ų96.111%0.1154%0.54CS..G310 helixtrans-149.122.2-159.8-80.4-58.9000114.8Y277 L337 H338 L340 T622 P626Y277-F624 PolarHBondContact OH-N 3.22Å; L337-F624 HydrophobicContact CB-CB 4.44Å; L337-F624 HydrophobicContact CB-CD1 3.92Å; L337-F624 HydrophobicContact CB-CD2 3.51Å; L337-F624 HydrophobicContact CB-CE1 4.17Å; L337-F624 HydrophobicContact CB-CE2 3.76Å; L337-F624 HydrophobicContact CB-CG 3.62Å; L337-F624 HydrophobicContact CB-CZ 4.08Å; L337-F624 HydrophobicContact CD1-CD2 3.84Å; L337-F624 HydrophobicContact CD1-CE2 3.37Å; L337-F624 HydrophobicContact CD1-CZ 3.92Å; L337-F624 HydrophobicContact CD2-CD2 3.81Å; L337-F624 HydrophobicContact CD2-CE2 4.2Å; L337-F624 HydrophobicContact CG-CD2 3.88Å; L337-F624 HydrophobicContact CG-CE2 3.93Å; L337-F624 HydrophobicContact CG-CG 4.47Å; H338-F624 CarbonylContact C-O 3.55Å; H338-F624 HydrophobicContact CB-CB 4.24Å; H338-F624 WeakPolarHBondContact CB-O 3.35Å; H338-F624 PolarHBondContact ND1-O 2.8Å; H338-F624 CarbonylContact O-C 3.59Å; H338-F624 WeakPolarHBondContact O-CB 3.36Å; H338-F624 VanDerWaalsContact O-CD1 3.26Å; H338-F624 WeakPolarHBondContact O-CD1 3.4Å; L340-F624 HydrophobicContact CB-CD1 3.55Å; L340-F624 HydrophobicContact CB-CE1 3.37Å; L340-F624 HydrophobicContact CB-CZ 4.43Å; L340-F624 HydrophobicContact CD2-CD1 4.36Å; L340-F624 HydrophobicContact CD2-CE1 3.35Å; L340-F624 HydrophobicContact CD2-CZ 3.7Å; L340-F624 HydrophobicContact CG-CE1 3.96Å; T622-F624 PolarHBondContact O-N 3.41Å; F624-P626 WeakPolarHBondContact O-CD 3.43Å
625H30.1Very low29.8Very low78 Ų78100.4 Ų100.436%0.36153%0.53SS..  trans-118.396.3-179-111.5-95.4000113.3Y277 H338 R621Y277-H625 PolarHBondContact OH-N 2.98Å; Y277-H625 PolarHBondContact OH-O 3.14Å; H338-H625 AromaticContact CE1-NE2 4Å; H338-H625 AromaticContact ND1-CD2 3.71Å; H338-H625 AromaticContact ND1-NE2 3.9Å; R621-H625 PolarHBondContact O-CD2 3.03Å
626P28.9Very low30Very low37 Ų37106.8 Ų106.824%0.2454%0.539CS..  trans-86110.2153.531.9-27000109.4F624 Y628F624-P626 WeakPolarHBondContact O-CD 3.43Å; P626-Y628 PolarHBondContact O-N 3.04Å
627S29.1Very low30Very low88 Ų88109.8 Ų109.862%0.61555%0.548SS*.  trans-63.2124.5158.5-179.80000108.2D629S627-D629 VanDerWaalsContact C-N 3.32Å; S627-D629 PolarHBondContact O-N 3.03Å
628Y32.4Very low30.1Very low124 Ų124114.9 Ų114.949%0.48656%0.558SS.*THydrogen-bonded Turntrans-87.72.9-167.7-125.8-85000114.2K434 P435 P626K434-Y628 VanDerWaalsContact C-OH 3.22Å; K434-Y628 WeakPolarHBondContact CA-OH 3.45Å; P435-Y628 WeakPolarHBondContact CD-OH 3.46Å; P435-Y628 PolarHBondContact O-OH 3.31Å; P435-Y628 VanDerWaalsContact O-OH 3.11Å; P626-Y628 PolarHBondContact O-N 3.04Å
629D30.5Very low30.1Very low146 Ų146115.8 Ų115.878%0.78157%0.573SS**THydrogen-bonded Turntrans-97.2-14.9-167.1-75.6-38.7000115.8S627 F631S627-D629 VanDerWaalsContact C-N 3.32Å; S627-D629 PolarHBondContact O-N 3.03Å; D629-F631 PolarHBondContact O-N 3.08Å
630D30.3Very low30.1Very low153 Ų153118.7 Ų118.782%0.81860%0.596SS**  trans-9730.1-170.4-95-48.9000115.7
631F33.9Very low30.1Very low146 Ų146123.5 Ų123.564%0.6463%0.627SS**SBendtrans-107.597.8176.3-107.9-115.1000114D629D629-F631 PolarHBondContact O-N 3.08Å
632Y35.6Very low30Very low150 Ų150123.4 Ų123.459%0.58865%0.645SS**  trans60.690160.7-64.5-94.2000118.6E634Y632-E634 PolarHBondContact O-N 3.48Å; Y632-E634 VanDerWaalsContact O-N 3.12Å
633P27.9Very low29.8Very low121 Ų121128.8 Ų128.879%0.78667%0.671SS**G310 helixtrans-63.4-11.2171.3-24.435.5000116.7Y635P633-Y635 PolarHBondContact O-N 3.36Å
634E33.5Very low29.6Very low180 Ų180135.4 Ų135.484%0.84170%0.701SS**G310 helixtrans-80.9-10.8-168.8-66.5-163.312900115.5Y632Y632-E634 PolarHBondContact O-N 3.48Å; Y632-E634 VanDerWaalsContact O-N 3.12Å
635Y32.7Very low29.3Very low179 Ų179138.4 Ų138.470%0.70273%0.73SS**G310 helixtrans-86.4-4.3179.3-95.3-88.6000115P633 N637P633-Y635 PolarHBondContact O-N 3.36Å; Y635-N637 PolarHBondContact O-N 3.22Å
636F28.1Very low29.3Very low202 Ų202143 Ų14389%0.88676%0.756SS**SBendtrans-76.818.3-168.3-129.6-82.2000116.1
637N27.1Very low29.3Very low150 Ų150145.6 Ų145.680%0.80278%0.78SS**SBendtrans-147.848.1-171-151-2.6000115.2Y635Y635-N637 PolarHBondContact O-N 3.22Å
638K27.2Very low29.2Very low207 Ų207149.9 Ų149.990%0.980%0.795SS**SBendtrans-159.635.4172.4-120.4164.2-168.8174.70118.4
639S26.3Very low29.2Very low117 Ų117149.4 Ų149.482%0.81881%0.81SS**SBendtrans-152.434.3175.851.90000115.8
640V28Very low29.3Very low130 Ų130149 Ų14979%0.78881%0.808SS**SBendtrans-120.8144.3167-177.30000108.8
641T28Very low29.3Very low142 Ų142147.7 Ų147.787%0.87180%0.801SS**SBendtrans65.471.2-175.854.50000117.9
642S27.7Very low29.2Very low119 Ų119147.7 Ų147.783%0.83280%0.804SS**  trans-151.934.7158.259.50000116.1
643L26.1Very low29Very low174 Ų174146.5 Ų146.591%0.91181%0.813SS**SBendtrans-149.760.7165.1-117.3175000112.3
644N25.9Very low29.2Very low176 Ų176146.9 Ų146.994%0.94181%0.813SS**SBendtrans-158.157.9171.7-124.6-17.6000112.4
645A26.9Very low28.9Very low87 Ų87143.8 Ų143.872%0.71981%0.807SS**  trans-160.915917000000109.5
646I29.6Very low28.8Very low176 Ų176140.9 Ų140.990%0.90381%0.808SS**  trans70.9118.7-179.3-48.8172.8000112
647A29.4Very low29Very low91 Ų91137 Ų13775%0.75280%0.801SS**  cis-147.9168.8-2.400000111.5
648L27Very low29.2Very low178 Ų178135.2 Ų135.293%0.93280%0.796SS**  trans-78.5129.1167.5-59.391.3000110.5
649S31.8Very low29.5Very low114 Ų114131.4 Ų131.480%0.79779%0.79SS**  trans-167.2142.3148.1-175.80000112.2
650N32.3Very low29.8Very low137 Ų137131.7 Ų131.773%0.73379%0.787SS**  trans-60.1168.4167.7-39.8-12.5000111.6
651D31.4Very low30.1Very low125 Ų125133.9 Ų133.967%0.66879%0.786SS**  cis-162.4168.512-136.8-29.7000115.3
652M31.2Very low30.4Very low146 Ų146133.8 Ų133.872%0.71978%0.775SS**  trans53.6126.5152.4-65.6-162.2-172.400126.1
653T31Very low30.6Very low126 Ų126135.1 Ų135.177%0.77377%0.766SS**  trans71.6150139.259.80000120.6
654T31.4Very low31Very low129 Ų129134.1 Ų134.179%0.79176%0.756SS**  cis-146.2-1756.8-15.10000113.1
655T28.5Very low31.3Very low114 Ų114130.2 Ų130.270%0.69974%0.743SS**  trans-124.4163.7-152.352.50000118.3
656T29.6Very low31.5Very low119 Ų119132.3 Ų132.373%0.7374%0.742SS**  trans69.6162143.344.80000120.7
657T33.6Very low31.5Very low119 Ų119133.6 Ų133.673%0.7374%0.735SS**  cis-157.9149.91.24.30000115.8
658T30.8Very low31.5Very low114 Ų114137.1 Ų137.170%0.69974%0.739SS**  trans-9.3155148.859.50000125.8
659T33.5Very low31.5Very low126 Ų126136 Ų13677%0.77373%0.73SS**  171.5117.3119.134.10000113.5
660T32.7Very low31.5Very low124 Ų124137.5 Ų137.576%0.76173%0.73SS**  66.914391.961.30000117.5
661K33.8Very low31.3Very low176 Ų176134.6 Ų134.677%0.76573%0.732SS**  cis-172.7178.330.2-120.5173.4178.6-179.70108.5
662H34.1Very low31.3Very low139 Ų139135 Ų13564%0.64474%0.739SS**  cis-174.6142.8-20.8-124.814.2000112.6
663K32.5Very low31.3Very low147 Ų147133.5 Ų133.564%0.63974%0.738SS**  trans57.8166.1137-69.5176.2148.2-143.30122.3
664E34.3Very low31.3Very low153 Ų153135.7 Ų135.772%0.71574%0.739SS**  cis-147.8-1536.6-149117.1-143.700114.6
665S31.2Very low31.3Very low94 Ų94133.8 Ų133.866%0.65773%0.731SS**  trans-140.6-167.1-153.1610000119.3
666D32.2Very low31.4Very low131 Ų131132.9 Ų132.970%0.70173%0.729SS**  trans106.7155.9156.6-70.620.6000120
667R29.9Very low31.4Very low203 Ų203136.6 Ų136.677%0.76674%0.736SS**  cis-175.6166.2-35.1-144.8170.3-175.7173.50.4112.2
668M28.5Very low31.2Very low166 Ų166136.9 Ų136.982%0.81874%0.737SS**  trans73158.5160.5-68.317717600120.9
669M28.2Very low31.2Very low153 Ų153137 Ų13775%0.75474%0.74SS**  cis-172.2148.9-32.5-151.7-173.6-173.900114.6
670N30.2Very low31Very low147 Ų147139.4 Ų139.479%0.78675%0.747SS**  trans66131150.7-76.5-0.8000127.7
671G29.8Very low30.8Very low76 Ų76141.7 Ų141.778%0.78475%0.749SS**  trans114.1151.8133.900000120.5
672V31.1Very low30.8Very low134 Ų134141.5 Ų141.581%0.81275%0.75SS**  cis-171.7144.9-20.2104.30000113.3
673V30.1Very low30.4Very low114 Ų114140.8 Ų140.869%0.69175%0.751SS**  trans69.8159.7155.7165.30000117.4
674E32.2Very low30.2Very low171 Ų171140 Ų14080%0.79975%0.754SS**  cis-136.5-109.919.7-164.682.8-10100117.4
675S30Very low29.8Very low90 Ų90139.2 Ų139.263%0.62975%0.753SS**  trans-156.6-176.5-155.269.40000113.8
676S31.3Very low29.6Very low95 Ų95141.4 Ų141.466%0.66476%0.763SS**  cis-162.6142.928.7-28.60000116
677F28.7Very low29.3Very low197 Ų197142 Ų14286%0.86477%0.771SS**  trans54.5165.7134.2-74.9-123.8000121
678V30.9Very low29.1Very low125 Ų125140.7 Ų140.776%0.75878%0.779SS**  cis-143.1151.5-2.3-161.80000109.4
679P30.4Very low28.9Very low116 Ų116138 Ų13875%0.75378%0.776SS**  trans-113.2169170.740.5-33.1000116
680L29.5Very low28.9Very low177 Ų177135.9 Ų135.993%0.92777%0.774SS**  trans-152.2161.2165.5-96.6176.9000112.3
681E27.9Very low28.6Very low172 Ų172133.4 Ų133.480%0.80477%0.768SS**  trans-106.2146.5-168.7-54.5172115.900114.6
682H33.2Very low28.4Very low172 Ų172140.1 Ų140.180%0.79677%0.771SS**  178.7168.8114.6-108.3-46.5000114.4
683N27Very low28.2Very low124 Ų124141.1 Ų141.166%0.66377%0.769SS**  trans-51160.4178.6-33.3-3.4000113.3
684D28.6Very low28Very low129 Ų129142 Ų14269%0.6977%0.768SS**  cis-162.1152.340-106.1-46.1000113.5
685I25Very low27.6Very low138 Ų138138.1 Ų138.171%0.70876%0.76SS**  trans52.6143.7140.6-63.6170.4000122.1
686T27.8Very low27.4Very low139 Ų139142.6 Ų142.685%0.85377%0.765SS**  trans70.3106.4169.838.40000118.7
687T25Very low27.2Very low144 Ų144148.1 Ų148.188%0.88377%0.772SS**  trans-88.2141.3175.143.90000113.3
688L25.4Very low27.1Very low175 Ų175146.4 Ų146.492%0.91677%0.767SS**  trans-134.5146.5163.2-88.3165.9000110
689S25Very low26.9Very low110 Ų110148.1 Ų148.177%0.76977%0.772SS**  trans-41.6172.3171.4-62.80000117.7
690P28.1Very low26.8Very low109 Ų109148.5 Ų148.571%0.70877%0.774SS**  cis-146.8-173.8-32.439.2-20.4000115.5
691S24Very low26.8Very low94 Ų94145.5 Ų145.566%0.65777%0.768SS**  trans82.3153.2146-610000122
692Y26.4Very low26.8Very low218 Ų218145.4 Ų145.486%0.85577%0.773SS**  trans74.1146.8174.1-59.8-76.4000115.9
693M25.8Very low26.8Very low154 Ų154145.9 Ų145.976%0.75978%0.775SS**  cis-154.6135.88.8-135.3-175.3-166.300114.2
694I26.2Very low26.9Very low133 Ų133145.1 Ų145.168%0.68278%0.78SS**  trans62.3101.2133.8-72.9177.2000122.7
695S24.4Very low27Very low89 Ų89144.1 Ų144.162%0.62278%0.783SS**  93.3152116.1780000126.3
696Y24.5Very low27.3Very low185 Ų185142.8 Ų142.873%0.72579%0.786SS**  trans73.7112.3158.2-68.5-67.3000122.5
697Y27Very low27.5Very low211 Ų211143.8 Ų143.883%0.82779%0.786SS**  -152.7154.9104.3-109.8-81.4000109.6
698E27.8Very low27.9Very low160 Ų160141.7 Ų141.775%0.74878%0.777SS**  trans-119.3152.8-171.2-67.8-176.2126.800114.4
699N26.6Very low28.3Very low162 Ų162139.7 Ų139.787%0.86677%0.767SS**  trans-75153.6165-89.7-20.9000111.8
700P28.2Very low28.7Very low123 Ų123140.4 Ų140.480%0.79976%0.763SS**  trans-140.5103.3152.135.5-18.4000114.2
701S28.6Very low29Very low114 Ų114141.4 Ų141.480%0.79776%0.762SS**  trans-158.887.5154.663.90000112.7
702D29.4Very low29.6Very low170 Ų170142.7 Ų142.791%0.90976%0.762SS**  trans-153.3146.3144.7-132.2-26.1000111.8
703H31.4Very low30Very low182 Ų182138.2 Ų138.284%0.84375%0.753SS**  trans-111.4123-173.4-83.6-67.7000112
704S30.5Very low30.4Very low108 Ų108136.4 Ų136.476%0.75575%0.746SS**  163.2141.1109.7530000114.9
705S29.1Very low30.9Very low108 Ų108136 Ų13676%0.75575%0.745SS**  trans25.9126.7154.155.20000120
706S33Very low31.5Very low110 Ų110137.7 Ų137.777%0.76975%0.747SS**  -16915063.143.30000115.4
707N32.2Very low32Very low160 Ų160134.9 Ų134.986%0.85675%0.745SS**  trans8.7124.5161.2-58.4-10.1000120.2
708S33.2Very low32.3Very low101 Ų101130.1 Ų130.171%0.70673%0.733SS**  169.4112.693175.20000114.8
709N33.1Very low32.6Very low132 Ų132129.2 Ų129.271%0.70673%0.734SS**  trans59.6108.8145-62.6-8.6000122.2
710N33.7Very low32.8Very low125 Ų125127.8 Ų127.867%0.66873%0.726SS**  89.8115.9118.1-65.82.7000121.6
711N34.3Very low33.1Very low130 Ų130129.8 Ų129.870%0.69573%0.73SS**  trans75.9138.7135.2-56.36.5000118
712N35.3Very low33Very low122 Ų122131.9 Ų131.965%0.65273%0.732SS**  cis-165.5150-6.5-115.39.3000109.5
713N34.7Very low33.2Very low124 Ų124129.4 Ų129.466%0.66373%0.726SS**  trans64.2150.8155.2-64.653.6000116.9
714D35.7Very low33Very low115 Ų115128.1 Ų128.162%0.61572%0.723SS**  cis-162.4146.1-6.1-111.2-26.8000109.8
715N36.1Very low33Very low124 Ų124130.2 Ų130.266%0.66373%0.725SS**  trans51.4142.8142-59-46.4000121.6
716N36.2Very low32.8Very low125 Ų125134 Ų13467%0.66873%0.728SS**  cis-164.7165.4-10.1-129.1-39.2000112.1
717N35.9Very low32.7Very low126 Ų126137 Ų13767%0.67473%0.73SS**  trans-10.1138.1168.4-67.5-52.8000121
718N33.2Very low32.5Very low111 Ų111136.1 Ų136.159%0.59472%0.724SS**  61.1110.964.6-83.9-19.7000116
719N33.3Very low32.2Very low141 Ų141142.2 Ų142.275%0.75473%0.734SS**  175.5155.996.5-101.2-44.7000116.6
720N32.2Very low32Very low132 Ų132143.8 Ų143.871%0.70674%0.74SS**  trans-48.1158173.9-55.1-37.6000116.8
721N33.2Very low31.6Very low165 Ų165140.9 Ų140.988%0.88274%0.74SS**  -168.5141.7111.2-94.6-41000114.1
722N28.3Very low31.3Very low158 Ų158143.9 Ų143.985%0.84575%0.747SS**  trans-78.4157171-90.9-27.6000112.2
723P32.5Very low30.8Very low118 Ų118149.7 Ų149.777%0.76676%0.759SS**  trans-120.6143.8140.335.6-28.3000112.6
724I28Very low30.3Very low155 Ų155154.2 Ų154.280%0.79577%0.769SS**  trans-77.9134.5-178.3-63.8160.2000110.9K726I724-K726 HydrophobicContact CG2-CG 4.45Å
725I29.5Very low30Very low153 Ų153154 Ų15479%0.78578%0.776SS**  trans-121119.8156.3-63.3-178.6000108.7
726K25.4Very low29.8Very low188 Ų188155.5 Ų155.582%0.81778%0.784SS**  trans-81.3133.5166.3-69.4-179.2175.9-177.90109.2I724I724-K726 HydrophobicContact CG2-CG 4.45Å
727Q31.2Very low29.5Very low173 Ų173154.6 Ų154.681%0.80878%0.784SS**  trans-146.2144.5153.4-114.817110.100111.3
728N27.4Very low29.9Very low140 Ų140153 Ų15375%0.74978%0.776SS**  trans-86.2137.7-173.5-48.4-61.2000110.5
729Y27.9Very low30.1Very low230 Ų230155.8 Ų155.890%0.90278%0.779SS**  trans-127110.4152.5-96.2-83.6000110.4
730I27.9Very low30.2Very low165 Ų165152.6 Ų152.685%0.84677%0.772SS**  trans-95.5114.4178.7-66.6175.3000109.2
731G25.2Very low30.6Very low64 Ų64154 Ų15466%0.6677%0.769SS**  trans85129.413800000119.1
732K27.8Very low31Very low192 Ų192152.1 Ų152.184%0.83575%0.753SS**  -131.2120.2120.7-100.2174.9-179.4173.30108.8
733R24.4Very low31.4Very low244 Ų244150.2 Ų150.292%0.92174%0.737SS**  trans-80.5137.3170.5-66.8178.4178.5170.9-1.7108.8
734Y26Very low31.8Very low220 Ų220151.8 Ų151.886%0.86373%0.732SS**  trans-108.9134.6151-78.4-86.1000108.4
735S28.5Very low32.6Very low110 Ų110149.9 Ų149.977%0.76972%0.716SS**  trans-96.2116.9-176.652.60000110.6P737S735-P737 VanDerWaalsContact O-CD 3.28Å; S735-P737 WeakPolarHBondContact O-CD 3.2Å
736L31.4Very low33.1Very low156 Ų156145.5 Ų145.582%0.81769%0.693SS**  trans-80.1114.2173.5-103.1158.4000110.7N738L736-N738 VanDerWaalsContact C-N 3.31Å; L736-N738 PolarHBondContact O-N 2.87Å
737P30.5Very low33.6Very low105 Ų105141.5 Ų141.568%0.68269%0.688SS**  trans-78.9-7.7-175.3-1733.9000115.2S735 Y739S735-P737 VanDerWaalsContact O-CD 3.28Å; S735-P737 WeakPolarHBondContact O-CD 3.2Å; P737-Y739 PolarHBondContact O-N 3.42Å
738N44.4Very low34Very low93 Ų93136.6 Ų136.650%0.49767%0.673SS.*THydrogen-bonded Turntrans-75.3-21.5-161.9-79.4-1.9000116.1L736 A740 Y741 F742L736-N738 VanDerWaalsContact C-N 3.31Å; L736-N738 PolarHBondContact O-N 2.87Å; N738-A740 VanDerWaalsContact C-N 3.32Å; N738-A740 PolarHBondContact O-N 2.94Å; N738-Y741 WeakPolarHBondContact O-CA 3.45Å; N738-Y741 PolarHBondContact O-N 2.86Å; N738-F742 PolarHBondContact O-N 2.7Å
739Y36.6Very low34.6Very low169 Ų169138.3 Ų138.366%0.66367%0.67SS**Hα-helixtrans-55.9-43.4-175.4178.7-100.6000113.3P737 Y741 K743P737-Y739 PolarHBondContact O-N 3.42Å; Y739-Y741 VanDerWaalsContact C-N 3.3Å; Y739-Y741 PolarHBondContact O-N 3.07Å; Y739-K743 HydrophobicContact CE1-CD 4.33Å; Y739-K743 WeakPolarHBondContact O-CB 3.27Å; Y739-K743 PolarHBondContact O-N 3.04Å
740A36.2Very low35.1Very low74 Ų74129.2 Ų129.261%0.61264%0.637SS**Hα-helixtrans-70.2-27.217800000112.9N738 K744N738-A740 VanDerWaalsContact C-N 3.32Å; N738-A740 PolarHBondContact O-N 2.94Å; A740-K744 VanDerWaalsContact O-CB 3.31Å; A740-K744 WeakPolarHBondContact O-CB 3.27Å; A740-K744 PolarHBondContact O-N 3.31Å
741Y40.6Very low35.5Very low161 Ų161128.7 Ų128.763%0.63164%0.636SS**Hα-helixtrans-79.2-45177.9-143.6-86.6000111.1N738 Y739 K744 Y745N738-Y741 WeakPolarHBondContact O-CA 3.45Å; N738-Y741 PolarHBondContact O-N 2.86Å; Y739-Y741 VanDerWaalsContact C-N 3.3Å; Y739-Y741 PolarHBondContact O-N 3.07Å; Y741-K744 WeakPolarHBondContact O-CB 3.49Å; Y741-K744 PolarHBondContact O-N 3.14Å; Y741-K744 VanDerWaalsContact O-N 3.17Å; Y741-Y745 WeakPolarHBondContact O-CB 3.38Å; Y741-Y745 PolarHBondContact O-N 3.33Å
742F41Very low36.2Very low126 Ų126128.7 Ų128.755%0.55362%0.624SS**Hα-helixtrans-61-46.5175.7-172.1-106.8000111.9N738 K744 Y745 L746N738-F742 PolarHBondContact O-N 2.7Å; F742-K744 VanDerWaalsContact C-N 3.27Å; F742-K744 PolarHBondContact O-N 3.02Å; F742-Y745 PolarHBondContact O-N 2.79Å; F742-L746 HydrophobicContact CD1-CD1 3.92Å; F742-L746 HydrophobicContact CE1-CD1 3.56Å; F742-L746 HydrophobicContact CE1-CG 4.44Å; F742-L746 HydrophobicContact CZ-CD1 4.04Å; F742-L746 PolarHBondContact O-N 3.11Å
743K36.5Very low36.9Very low119 Ų119123.8 Ų123.852%0.51761%0.61SS.*Hα-helixtrans-62.1-33.9174.9-170.7166.7-172165.30112.7Y739 C747Y739-K743 HydrophobicContact CE1-CD 4.33Å; Y739-K743 WeakPolarHBondContact O-CB 3.27Å; Y739-K743 PolarHBondContact O-N 3.04Å; K743-C747 WeakPolarHBondContact O-CB 3.35Å; K743-C747 PolarHBondContact O-N 3.33Å; K743-C747 PolarHBondContact O-SG 3Å
744K41Very low37.6Very low150 Ų150115.2 Ų115.265%0.65260%0.598SS**Hα-helixtrans-72.6-41.7175.3-170.1178.8-178.2-174.50111.9A740 Y741 F742 C747 S748A740-K744 VanDerWaalsContact O-CB 3.31Å; A740-K744 WeakPolarHBondContact O-CB 3.27Å; A740-K744 PolarHBondContact O-N 3.31Å; Y741-K744 WeakPolarHBondContact O-CB 3.49Å; Y741-K744 PolarHBondContact O-N 3.14Å; Y741-K744 VanDerWaalsContact O-N 3.17Å; F742-K744 VanDerWaalsContact C-N 3.27Å; F742-K744 PolarHBondContact O-N 3.02Å; K744-C747 CarbonylContact O-C 3.48Å; K744-C747 PolarHBondContact O-N 3.21Å; K744-S748 WeakPolarHBondContact O-CB 3.45Å; K744-S748 PolarHBondContact O-N 3.32Å; K744-S748 PolarHBondContact O-OG 3.29Å; K744-S748 VanDerWaalsContact O-OG 3.14Å
745Y44.5Very low38.2Very low116 Ų116114.9 Ų114.946%0.45560%0.595SS.*Hα-helixtrans-60.2-50177.8-177.8-93.8000111.7Y741 F742 C747 S748 Y749Y741-Y745 WeakPolarHBondContact O-CB 3.38Å; Y741-Y745 PolarHBondContact O-N 3.33Å; F742-Y745 PolarHBondContact O-N 2.79Å; Y745-C747 VanDerWaalsContact C-N 3.28Å; Y745-C747 PolarHBondContact O-N 3.31Å; Y745-S748 PolarHBondContact O-N 3.17Å; Y745-S748 PolarHBondContact O-OG 3.04Å; Y745-Y749 AromaticContact CD2-CD2 3.71Å; Y745-Y749 HydrophobicContact CD2-CD2 3.71Å; Y745-Y749 HydrophobicContact CD2-CE2 4.15Å; Y745-Y749 AromaticContact CE2-CD2 3.88Å; Y745-Y749 HydrophobicContact CE2-CD2 3.88Å; Y745-Y749 HydrophobicContact CE2-CE2 4.36Å; Y745-Y749 HydrophobicContact CE2-CG 4.48Å; Y745-Y749 HydrophobicContact CG-CD2 4.28Å; Y745-Y749 PolarHBondContact O-N 2.99Å
746L40.2Very low38.7Very low60 Ų60111.9 Ų111.931%0.31457%0.569SS.*Hα-helixtrans-56.5-41.3173-76.8169.9000112.1F742 S748 I750F742-L746 HydrophobicContact CD1-CD1 3.92Å; F742-L746 HydrophobicContact CE1-CD1 3.56Å; F742-L746 HydrophobicContact CE1-CG 4.44Å; F742-L746 HydrophobicContact CZ-CD1 4.04Å; F742-L746 PolarHBondContact O-N 3.11Å; L746-S748 VanDerWaalsContact C-N 3.28Å; L746-S748 PolarHBondContact O-N 3.06Å; L746-I750 HydrophobicContact CD2-CD1 4.31Å
747C36.7Very low39.2Very low105 Ų105107.7 Ų107.771%0.70955%0.55SS**Hα-helixtrans-78-1.9177.8-63.90000114.8K743 K744 Y745K743-C747 WeakPolarHBondContact O-CB 3.35Å; K743-C747 PolarHBondContact O-N 3.33Å; K743-C747 PolarHBondContact O-SG 3Å; K744-C747 CarbonylContact O-C 3.48Å; K744-C747 PolarHBondContact O-N 3.21Å; Y745-C747 VanDerWaalsContact C-N 3.28Å; Y745-C747 PolarHBondContact O-N 3.31Å
748S39.6Very low39.6Very low70 Ų70109.8 Ų109.849%0.4955%0.546SS..Hα-helixtrans-124.7-12.1-177.570.50000115.6K744 Y745 L746K744-S748 WeakPolarHBondContact O-CB 3.45Å; K744-S748 PolarHBondContact O-N 3.32Å; K744-S748 PolarHBondContact O-OG 3.29Å; K744-S748 VanDerWaalsContact O-OG 3.14Å; Y745-S748 PolarHBondContact O-N 3.17Å; Y745-S748 PolarHBondContact O-OG 3.04Å; L746-S748 VanDerWaalsContact C-N 3.28Å; L746-S748 PolarHBondContact O-N 3.06Å
749Y39.7Very low39.5Very low176 Ų176109 Ų10969%0.6954%0.544SS*.Hα-helixtrans-126.1-20.3-178.4-71.4-74.7000115.1Y745Y745-Y749 AromaticContact CD2-CD2 3.71Å; Y745-Y749 HydrophobicContact CD2-CD2 3.71Å; Y745-Y749 HydrophobicContact CD2-CE2 4.15Å; Y745-Y749 AromaticContact CE2-CD2 3.88Å; Y745-Y749 HydrophobicContact CE2-CD2 3.88Å; Y745-Y749 HydrophobicContact CE2-CE2 4.36Å; Y745-Y749 HydrophobicContact CE2-CG 4.48Å; Y745-Y749 HydrophobicContact CG-CD2 4.28Å; Y745-Y749 PolarHBondContact O-N 2.99Å
750I38.4Very low39.8Very low38 Ų38104.6 Ų104.620%0.19554%0.535CS..  trans-116.6139175.1-61.2-179.3000108.3L746 P752 M756 Y852L746-I750 HydrophobicContact CD2-CD1 4.31Å; I750-P752 VanDerWaalsContact O-CD 3.26Å; I750-P752 WeakPolarHBondContact O-CD 3.21Å; I750-M756 HydrophobicContact CG2-SD 4.08Å; I750-Y852 HydrophobicContact CD1-CE2 4.33Å
751N36.8Very low39.9Very low155 Ų155105.3 Ų105.383%0.82953%0.528SS*.  trans-96.793.8172-174.814.8000108T753N751-T753 PolarHBondContact O-N 3.22Å
752P40.4Very low39.9Very low63 Ų63101.5 Ų101.541%0.40952%0.516SS..  trans-72121.1-162.430.1-36.2000110.5I750 M756 V757I750-P752 VanDerWaalsContact O-CD 3.26Å; I750-P752 WeakPolarHBondContact O-CD 3.21Å; P752-M756 HydrophobicContact CB-SD 4.23Å; P752-V757 HydrophobicContact CB-CG2 3.82Å; P752-V757 HydrophobicContact CG-CG2 4.04Å
753T42.2Very low39.6Very low89 Ų89101.1 Ų101.155%0.54652%0.519SS..  trans-61.6150.517165.50000109.9N751 R755 M756 V757N751-T753 PolarHBondContact O-N 3.22Å; T753-R755 PolarHBondContact O-N 3.37Å; T753-M756 WeakPolarHBondContact O-CB 3.26Å; T753-M756 PolarHBondContact O-N 3.45Å; T753-V757 PolarHBondContact O-N 2.83Å
754G39.2Very low39.6Very low64 Ų64103.3 Ų103.366%0.6653%0.529SS*.Hα-helixtrans-57.1-26.3-176.800000114.3Y758G754-Y758 WeakPolarHBondContact O-CB 3.37Å; G754-Y758 PolarHBondContact O-N 2.85Å
755R37.2Very low39.3Very low213 Ų213102.3 Ų102.380%0.80453%0.531SS*.Hα-helixtrans-66-43.1170.8-84.4-174.8169.7-179.4-3.8112.6T753 V757 Y758 V759T753-R755 PolarHBondContact O-N 3.37Å; R755-V757 PolarHBondContact O-N 3.14Å; R755-Y758 PolarHBondContact O-N 2.95Å; R755-V759 WeakPolarHBondContact O-CG2 3.5Å; R755-V759 PolarHBondContact O-N 3.24Å
756M40.2Very low38.7Very low47 Ų47106.8 Ų106.823%0.23255%0.547CS..Hα-helixtrans-63.1-43.7-178-166.3179.4-77.500111.3I750 P752 T753 V760 Y851I750-M756 HydrophobicContact CG2-SD 4.08Å; P752-M756 HydrophobicContact CB-SD 4.23Å; T753-M756 WeakPolarHBondContact O-CB 3.26Å; T753-M756 PolarHBondContact O-N 3.45Å; M756-V760 WeakPolarHBondContact O-CG2 3.48Å; M756-V760 PolarHBondContact O-N 3.41Å; M756-V760 VanDerWaalsContact O-N 3.07Å; M756-Y851 HydrophobicContact CE-CE2 3.95Å; M756-Y851 VanDerWaalsContact CE-OH 3.24Å; M756-Y851 WeakPolarHBondContact CE-OH 3.08Å; M756-Y851 PolarHBondContact SD-OH 3.42Å; M756-Y851 VanDerWaalsContact SD-OH 3.41Å
757V41.4Very low38.1Very low69 Ų69110 Ų11042%0.41857%0.573SS.*Hα-helixtrans-64.2-40.1173.4-1740000111.7P752 T753 R755 N761P752-V757 HydrophobicContact CB-CG2 3.82Å; P752-V757 HydrophobicContact CG-CG2 4.04Å; T753-V757 PolarHBondContact O-N 2.83Å; R755-V757 PolarHBondContact O-N 3.14Å; V757-N761 VanDerWaalsContact O-CG 3.26Å; V757-N761 PolarHBondContact O-N 2.58Å; V757-N761 VanDerWaalsContact O-N 3.1Å; V757-N761 PolarHBondContact O-ND2 2.94Å
758Y39.4Very low37.6Very low148 Ų148107.2 Ų107.258%0.5856%0.562SS**Hα-helixtrans-66.4-44.6178.8-176.8-95.2000112.5G754 R755 N761 Q762G754-Y758 WeakPolarHBondContact O-CB 3.37Å; G754-Y758 PolarHBondContact O-N 2.85Å; R755-Y758 PolarHBondContact O-N 2.95Å; Y758-N761 PolarHBondContact O-N 3.09Å; Y758-Q762 HydrophobicContact CD1-CG 4.01Å; Y758-Q762 HydrophobicContact CE1-CG 3.68Å; Y758-Q762 HydrophobicContact CE2-CG 4.32Å; Y758-Q762 HydrophobicContact CG-CG 4.47Å; Y758-Q762 WeakPolarHBondContact O-CB 3.07Å; Y758-Q762 VanDerWaalsContact O-CG 3.26Å; Y758-Q762 WeakPolarHBondContact O-CG 3.49Å; Y758-Q762 PolarHBondContact O-N 2.86Å; Y758-Q762 PolarHBondContact OH-NE2 2.95Å
759V41.8Very low37Very low76 Ų76113.2 Ų113.246%0.46158%0.583SS.*Hα-helixtrans-64.9-45.2178.31700000111R755 N761 Q762 L763R755-V759 WeakPolarHBondContact O-CG2 3.5Å; R755-V759 PolarHBondContact O-N 3.24Å; V759-N761 VanDerWaalsContact C-N 3.33Å; V759-N761 PolarHBondContact O-N 3.46Å; V759-Q762 PolarHBondContact O-N 3.07Å; V759-L763 HydrophobicContact CG1-CD1 3.73Å; V759-L763 HydrophobicContact CG1-CG 4.28Å; V759-L763 WeakPolarHBondContact O-CB 3.41Å; V759-L763 WeakPolarHBondContact O-CG 3.23Å; V759-L763 PolarHBondContact O-N 3.38Å
760V42.7Very low36.5Very low78 Ų78111.8 Ų111.847%0.47359%0.592SS.*Hα-helixtrans-59.2-43175.5170.60000111.4M756 F764M756-V760 WeakPolarHBondContact O-CG2 3.48Å; M756-V760 PolarHBondContact O-N 3.41Å; M756-V760 VanDerWaalsContact O-N 3.07Å; V760-F764 HydrophobicContact CG1-CD2 4.39Å; V760-F764 WeakPolarHBondContact O-CD2 3.45Å; V760-F764 PolarHBondContact O-N 2.72Å
761N39.3Very low36Very low88 Ų88114.9 Ų114.947%0.47162%0.617SS.*Hα-helixtrans-65.6-45.3176-68.1-16.3000112V757 Y758 V759 L763 F764 D765V757-N761 VanDerWaalsContact O-CG 3.26Å; V757-N761 PolarHBondContact O-N 2.58Å; V757-N761 VanDerWaalsContact O-N 3.1Å; V757-N761 PolarHBondContact O-ND2 2.94Å; Y758-N761 PolarHBondContact O-N 3.09Å; V759-N761 VanDerWaalsContact C-N 3.33Å; V759-N761 PolarHBondContact O-N 3.46Å; N761-L763 VanDerWaalsContact C-N 3.34Å; N761-L763 PolarHBondContact O-N 2.6Å; N761-F764 PolarHBondContact O-N 3.25Å; N761-D765 WeakPolarHBondContact O-CB 3.4Å; N761-D765 PolarHBondContact O-N 3.08Å
762Q40.7Very low35.6Very low81 Ų81112.3 Ų112.338%0.37961%0.611SS.*Hα-helixtrans-65.3-31.8-179.1-72.2-71.1-19.800113.9Y758 V759Y758-Q762 HydrophobicContact CD1-CG 4.01Å; Y758-Q762 HydrophobicContact CE1-CG 3.68Å; Y758-Q762 HydrophobicContact CE2-CG 4.32Å; Y758-Q762 HydrophobicContact CG-CG 4.47Å; Y758-Q762 WeakPolarHBondContact O-CB 3.07Å; Y758-Q762 VanDerWaalsContact O-CG 3.26Å; Y758-Q762 WeakPolarHBondContact O-CG 3.49Å; Y758-Q762 PolarHBondContact O-N 2.86Å; Y758-Q762 PolarHBondContact OH-NE2 2.95Å; V759-Q762 PolarHBondContact O-N 3.07Å
763L34.2Very low35.1Very low119 Ų119119.6 Ų119.662%0.62363%0.631SS**Hα-helixtrans-70-34.3175.8-74.8169.2000112.3V759 N761V759-L763 HydrophobicContact CG1-CD1 3.73Å; V759-L763 HydrophobicContact CG1-CG 4.28Å; V759-L763 WeakPolarHBondContact O-CB 3.41Å; V759-L763 WeakPolarHBondContact O-CG 3.23Å; V759-L763 PolarHBondContact O-N 3.38Å; N761-L763 VanDerWaalsContact C-N 3.34Å; N761-L763 PolarHBondContact O-N 2.6Å
764F35.6Very low34.5Very low165 Ų165122.6 Ų122.672%0.72464%0.642SS**Hα-helixtrans-92-25.5-179.9-75.5-73.9000114.4V760 N761 R766V760-F764 HydrophobicContact CG1-CD2 4.39Å; V760-F764 WeakPolarHBondContact O-CD2 3.45Å; V760-F764 PolarHBondContact O-N 2.72Å; N761-F764 PolarHBondContact O-N 3.25Å; F764-R766 PolarHBondContact O-N 2.66Å
765D35.8Very low34.1Very low128 Ų128123.9 Ų123.968%0.68464%0.641SS**THydrogen-bonded Turntrans-74.5-4.2178.9-80.6-25.8000114.4N761N761-D765 WeakPolarHBondContact O-CB 3.4Å; N761-D765 PolarHBondContact O-N 3.08Å
766R31.3Very low33.7Very low210 Ų210122.2 Ų122.279%0.79264%0.642SS**THydrogen-bonded Turntrans-91.7-10.9178.9-78.5-170.5171.7-166.2-1.4115.8F764 G768F764-R766 PolarHBondContact O-N 2.66Å; R766-G768 VanDerWaalsContact C-N 3.27Å; R766-G768 PolarHBondContact O-N 3Å
767C27.1Very low33.4Very low127 Ų127127 Ų12786%0.85867%0.667SS**SBendtrans-88.135179.1-71.80000114.1
768G25.7Very low33Very low48 Ų48131.3 Ų131.350%0.49568%0.683SS.*  trans-170.477.818000000117.7R766R766-G768 VanDerWaalsContact C-N 3.27Å; R766-G768 PolarHBondContact O-N 3Å
769Q28Very low32.7Very low196 Ų196130.6 Ų130.692%0.91669%0.689SS**  trans-17794.3140.9-105.1158.291.100115.2
770T29.4Very low32.3Very low145 Ų145132.8 Ų132.889%0.8970%0.698SS**  trans-151.1153.1151.1550000109
771S28.7Very low31.9Very low103 Ų103135.2 Ų135.272%0.7271%0.708SS**  cis-158.7114.8-37.6-174.30000111.4
772S27.8Very low31.4Very low101 Ų101136.2 Ų136.271%0.70672%0.718SS**  trans81.3149.7147.287.20000123.3
773R29.2Very low31Very low217 Ų217139.2 Ų139.282%0.81974%0.735SS**  trans92.8113148.9-72.1176.4-175.2-153-1.1122.1
774I29.1Very low30.8Very low151 Ų151138.6 Ų138.677%0.77474%0.736SS**  trans76.3125.2137.9-60.2168.7000114.9
775S31.1Very low30.4Very low92 Ų92136.4 Ų136.464%0.64374%0.737SS**  cis-158.6161.93.742.60000112.9
776H30Very low30.1Very low177 Ų177135.5 Ų135.582%0.81974%0.736SS**  trans12.7143.4152.4-47.4-70.4000119.9
777I32.5Very low30.1Very low148 Ų148132 Ų13276%0.75973%0.733SS**  cis-151.8150.149.7-73.6174.1000112
778Q33.5Very low30.5Very low160 Ų160131.9 Ų131.975%0.74872%0.724SS**  trans-14.4158.5152.9-71.5159.8-42.700119.1
779N33.5Very low30.7Very low133 Ų133136.6 Ų136.671%0.71174%0.737SS**  cis-147.8149.511-98.4-22.3000107.7
780N33.8Very low31Very low121 Ų121131 Ų13165%0.64772%0.724SS**  cis106.4141.548.4-145.266.7000110.9
781D33.8Very low31.1Very low129 Ų129131.2 Ų131.269%0.6972%0.72SS**  trans66.3150.1170.5-50-48.9000119.6
782T29.6Very low31.3Very low110 Ų110131.8 Ų131.868%0.67572%0.72SS**  178.9165.8-59.339.20000108
783I31Very low31.6Very low143 Ų143131.7 Ų131.773%0.73372%0.715SS**  trans82.3101.9147.6-78.8161000120.2
784T29.9Very low31.8Very low107 Ų107129.1 Ų129.166%0.65671%0.712SS**  trans74.3117.513167.70000124.8
785T27.8Very low32Very low119 Ų119127.5 Ų127.573%0.7371%0.709SS**  76.7143.5123.159.80000124.7
786T30.2Very low32Very low109 Ų109129.2 Ų129.267%0.66971%0.711SS**  trans75.7109.1144.442.50000122
787N31Very low32.1Very low136 Ų136127.8 Ų127.873%0.72771%0.709SS**  81.1141.7121.9-66.8-0.4000122.5
788N34Very low31.9Very low125 Ų125124.3 Ų124.367%0.66870%0.698SS**  trans77.397.9145.9-64.8-7.8000121.1
789N31.5Very low31.8Very low146 Ų146124.8 Ų124.878%0.78170%0.699SS**  84.9142.7115.8-63.6-15.2000122.3
790A32.8Very low31.4Very low78 Ų78123.7 Ų123.765%0.64570%0.701SS**  trans86.3118.214200000120.9
791N32.9Very low31.3Very low150 Ų150125.2 Ų125.280%0.80271%0.709SS**  trans72156.1134.4-60.6-3.5000117.4
792T32.9Very low31Very low116 Ų116126.7 Ų126.771%0.71272%0.717SS**  cis-167.4149-315.30000106.5
793T32.5Very low31.3Very low99 Ų99125.7 Ų125.761%0.60771%0.712SS**  cis-165.6-171.9-9.811.10000107.9
794H33.9Very low31.2Very low162 Ų162126.5 Ų126.575%0.7571%0.713SS**  trans78.5142.1168-47.7-69.3000114.7
795T33.4Very low31.3Very low118 Ų118128.5 Ų128.572%0.72472%0.715SS**  cis-168.5155.4613.20000107.8
796N32.5Very low31.5Very low128 Ų128133 Ų13368%0.68472%0.72SS**  cis-166.5146.2-10.3-127.214.1000110.9
797L31.5Very low31.7Very low146 Ų146132.8 Ų132.876%0.76472%0.715SS**  trans60.7163.8161.3-78.678.9000119.5
798S27.3Very low31.8Very low75 Ų75134 Ų13452%0.52471%0.714SS.*  cis172.2165.9-49.758.10000110.1
799H32.4Very low31.8Very low170 Ų170134 Ų13479%0.78771%0.714SS**  trans82.9140178.4-55.112.3000114
800C24.9Very low31.8Very low111 Ų111135 Ų13575%0.7571%0.711SS**  cis104.8114.915.2-64.50000115.5
801N30.5Very low31.9Very low153 Ų153136.9 Ų136.982%0.81872%0.715SS**  trans64.6113.1154.3-54.9-3.7000121.1
802D29.3Very low32Very low159 Ų159134.7 Ų134.785%0.8571%0.711SS**  trans53.2170.4131.7-113.9-6.5000121
803P34.4Very low32Very low89 Ų89133.4 Ų133.458%0.57871%0.707SS**  cis-135.6-175.4-18.942.3-25.7000115.3
804Q30.6Very low32.1Very low161 Ų161133.9 Ų133.975%0.75271%0.71SS**  trans71.3119.5146.1-79.9174.320.100124.3
805Q31.1Very low32.1Very low148 Ų148132.8 Ų132.869%0.69271%0.709SS**  56.4135.8127.3-64.1-175.415.400123.3
806Y32.5Very low32.1Very low215 Ų215134.3 Ų134.384%0.84371%0.708SS**  -148.4113.4121.1-107.6-78.2000112.2
807L33.8Very low32.2Very low104 Ų104136.7 Ų136.755%0.54571%0.713SS.*  trans45.3145.9145.2-82.449.4000121.6
808F33.5Very low32.1Very low162 Ų162134.7 Ų134.771%0.71171%0.711SS**  cis-157.713715.5-125.9-38.5000113.2
809N32.8Very low32.4Very low125 Ų125140.9 Ų140.967%0.66872%0.724SS**  trans58.3138.8148-79.9-19.9000121.8
810K33.2Very low32.3Very low165 Ų165138.1 Ų138.172%0.71772%0.719SS**  cis-169.8138.8-9.4-148.1-179.1-176.9-177.60112.2
811T34Very low32.6Very low119 Ų119138.4 Ų138.473%0.7372%0.718SS**  trans55.3142.9152.841.50000120.4
812S34.1Very low32.5Very low103 Ų103136.1 Ų136.172%0.7271%0.713SS**  cis173.5158.4-8.444.50000107.9
813S34.6Very low32.5Very low89 Ų89135.2 Ų135.262%0.62270%0.704SS**  cis-176.7179.6-13.9540000108.9
814T34.2Very low32.3Very low109 Ų109140.6 Ų140.667%0.66971%0.713SS**  trans57.5136.4144.253.40000120.8
815D34Very low32.2Very low140 Ų140137.4 Ų137.475%0.74971%0.708SS**  cis-168.2-178.11.5-86.6-21.9000108.6
816E33.4Very low32.1Very low149 Ų149135 Ų13570%0.69671%0.708SS**  cis-173.5168.6-49.6-158.2-164.5-156.600109.4
817K33.4Very low31.8Very low179 Ų179131.6 Ų131.678%0.77870%0.704SS**  trans98.3160.4156.9-57.7-176-171.2-179.10121.3
818S30.1Very low31.3Very low103 Ų103131.6 Ų131.672%0.7271%0.712SS**  trans-156.6-134.7-146.458.80000114.7
819Y33.7Very low31.2Very low206 Ų206132.6 Ų132.681%0.80872%0.718SS**  trans82.2125.3-165.7-55.8-72.7000114.6
820T30Very low30.9Very low112 Ų112134.1 Ų134.169%0.68772%0.721SS**  cis77146.130.385.10000114.4
821T30.6Very low30.9Very low117 Ų117135.5 Ų135.572%0.71873%0.73SS**  cis-163.8159.418.4-20.50000112.4
822S29.6Very low30.7Very low104 Ų104137 Ų13773%0.72773%0.728SS**  trans61.8163.9148.282.30000120.1
823E29.5Very low30.5Very low140 Ų140140.8 Ų140.865%0.65474%0.735SS**  cis-159.6166.3-10.2-135.5-178.2-127.300113.9
824R29.3Very low30.2Very low203 Ų203143.9 Ų143.977%0.76674%0.739SS**  trans69.2115.5145.1-92.5-177.2169.4118.3-8.6125.3
825S28.6Very low30.1Very low93 Ų93146.2 Ų146.265%0.6574%0.742SS**  81.8106115.973.80000124.8
826S28.4Very low29.8Very low98 Ų98147.1 Ų147.169%0.68574%0.741SS**  78.6128.9116.371.10000124.6
827N27.1Very low29.6Very low143 Ų143148.7 Ų148.777%0.76575%0.746SS**  trans86.9121.4138.1-68.80.6000123
828C23.7Very low29.4Very low105 Ų105148.3 Ų148.371%0.70975%0.747SS**  trans59.4121.7133-62.40000119.4
829H30.8Very low29.2Very low182 Ų182150.5 Ų150.584%0.84375%0.751SS**  -167.2-178.959.8-111.1-10.1000113.6
830H27.6Very low28.9Very low157 Ų157148.3 Ų148.373%0.72775%0.752SS**  trans-70.9157.2178.2-64.3-88.9000114.7
831H32.5Very low28.8Very low195 Ų195150.9 Ų150.990%0.90376%0.756SS**  -155.2163116.6-116.6-83.6000112.3
832H29.1Very low28.7Very low151 Ų151151.7 Ų151.770%0.69976%0.756SS**  trans-104.7174.9-168.6-90.2-87.4000114.6
833Q30.9Very low28.6Very low182 Ų182154.9 Ų154.985%0.8577%0.765SS**  trans86.5148.2160.2-55.2-177.7-21.100116.5
834H28.7Very low28.5Very low153 Ų153154.6 Ų154.671%0.70877%0.768SS**  cis171.5148-35.7-121.9-74.8000105.8
835H31.9Very low28.4Very low158 Ų158149.8 Ų149.873%0.73177%0.766SS**  trans120.1100.2164.7-67.5-63.7000112.2
836Q27.2Very low28.1Very low159 Ų159151.2 Ų151.274%0.74377%0.774SS**  82.397.367.8-81.4-175.9-48.100114.4
837K29.7Very low28Very low183 Ų183153.8 Ų153.880%0.79678%0.779SS**  trans172.397.8139.6-97.9171.3178-1700106.7
838E28.3Very low28Very low171 Ų171152.7 Ų152.780%0.79978%0.78SS**  89.5138.180.3-81.7173.9156.200111.9
839D26.1Very low28Very low149 Ų149156.7 Ų156.780%0.79779%0.788SS**  trans56.289.6175.1-58.4-17.9000119.8
840L28.4Very low27.7Very low160 Ų160153.5 Ų153.584%0.83878%0.777SS**  173.3143.8124.5-92.6156.9000113.6
841Q27.9Very low27.6Very low166 Ų166152.5 Ų152.578%0.77677%0.768SS**  trans53.8102.6156.3-64.5175.8-13.200120.5
842N28.2Very low27.4Very low133 Ų133149.2 Ų149.271%0.71175%0.749SS**  163110.5117-84.5-24.2000112.8
843N27.7Very low27.1Very low172 Ų172144.5 Ų144.592%0.9274%0.736SS**  trans-97.680.3163.6-91.16.5000110.1S845N843-S845 PolarHBondContact O-N 3.36Å
844N26.5Very low27Very low134 Ų134141.1 Ų141.172%0.71772%0.724SS**  trans-80.889.1166.8-77.8-5.8000109.4C846N844-C846 PolarHBondContact O-N 3.42Å; N844-C846 VanDerWaalsContact O-N 3.14Å
845S26.8Very low27Very low102 Ų102135.6 Ų135.671%0.71370%0.699SS**  trans-80.184.7167.9570000110N843 L847N843-S845 PolarHBondContact O-N 3.36Å; S845-L847 PolarHBondContact O-N 3.39Å; S845-L847 VanDerWaalsContact O-N 3.16Å
846C23.3Very low26.7Very low122 Ų122131.8 Ų131.882%0.82468%0.682SS**  trans-64.3111.1169.3-62.40000109.4N844N844-C846 PolarHBondContact O-N 3.42Å; N844-C846 VanDerWaalsContact O-N 3.14Å
847L25.5Very low26.6Very low152 Ų152127.9 Ų127.980%0.79668%0.677SS**PPolyproline II helixtrans-85.2149.4164.9-67172.6000109S845S845-L847 PolarHBondContact O-N 3.39Å; S845-L847 VanDerWaalsContact O-N 3.16Å
848P26.5Very low26.5Very low120 Ų120123.7 Ų123.778%0.77966%0.659SS**PPolyproline II helixtrans-70.3139.7-176.1-17.232000112.9
849E23.4Very low26.4Very low190 Ų190119.1 Ų119.189%0.88866%0.658SS**PPolyproline II helixtrans-80122.8154.8-58.6172.7129.500107.7
850D25.7Very low26.5Very low114 Ų114120.3 Ų120.361%0.6166%0.664SS**  trans-173.4142.4162.5-112.3-28.2000113.4
851Y26.1Very low26.5Very low137 Ų137121.3 Ų121.354%0.53767%0.665SS.*  trans70.5149.3159.1-76.4-124.6000119.8M756M756-Y851 HydrophobicContact CE-CE2 3.95Å; M756-Y851 VanDerWaalsContact CE-OH 3.24Å; M756-Y851 WeakPolarHBondContact CE-OH 3.08Å; M756-Y851 PolarHBondContact SD-OH 3.42Å; M756-Y851 VanDerWaalsContact SD-OH 3.41Å
852Y26.5Very low26.4Very low125 Ų125121 Ų12149%0.4967%0.668SS.*  cis-171.5136.1-42.3-105.2-57.8000106.4I750I750-Y852 HydrophobicContact CD1-CE2 4.33Å
853A24.3Very low26.3Very low52 Ų52121 Ų12143%0.4368%0.677SS.*  48.9127.5106.900000118.1E619E619-A853 WeakPolarHBondContact OE2-CA 3.22Å; E619-A853 PolarHBondContact OE2-N 2.9Å
854D29.1Very low26.2Very low111 Ų111117.2 Ų117.259%0.59466%0.664SS**  trans174.8164.1135.7-90.4-15.2000116.5E619E619-D854 WeakPolarHBondContact CA-O 3.34Å; E619-D854 VanDerWaalsContact CG-O 3.31Å; E619-D854 WeakPolarHBondContact CG-O 3.23Å; E619-D854 PolarHBondContact OE2-N 2.87Å
855D26.8Very low26.3Very low37 Ų37118.2 Ų118.220%0.19867%0.67CS.*  -122.1161-129.3-172.337.5000120.6I618 E619 R621I618-D855 VanDerWaalsContact C-OD1 3.25Å; I618-D855 WeakPolarHBondContact CA-OD1 3.46Å; I618-D855 HydrophobicContact CB-CB 4.06Å; I618-D855 WeakPolarHBondContact CB-OD1 3.24Å; I618-D855 HydrophobicContact CD1-CB 4.46Å; I618-D855 WeakPolarHBondContact CD1-OD2 3.37Å; I618-D855 HydrophobicContact CG1-CB 4.35Å; I618-D855 WeakPolarHBondContact CG1-OD1 3.45Å; I618-D855 WeakPolarHBondContact CG1-OD2 3.44Å; E619-D855 PolarHBondContact N-OD1 3.4Å; E619-D855 VanDerWaalsContact N-OD1 3.15Å; R621-D855 VanDerWaalsContact CB-O 3.3Å; R621-D855 WeakPolarHBondContact CB-O 3.47Å; R621-D855 WeakPolarHBondContact CD-O 3.48Å; R621-D855 WeakPolarHBondContact CG-O 3.23Å; R621-D855 PolarHBondContact NH1-O 2.93Å
856E25.9Very low26.2Very low79 Ų79120.8 Ų120.837%0.36967%0.674SS.*  trans5.8136.6159.8-84.5-178.4-140.900122.8D89 R621D89-E856 HydrophobicContact CB-CG 4.28Å; D89-E856 WeakPolarHBondContact OD2-CG 3.17Å; R621-E856 PolarHBondContact NH1-O 2.97Å
857A26.3Very low26.6Very low77 Ų77122.6 Ų122.664%0.63667%0.67SS**  76.1162.1123.400000122.9
858F27.2Very low26.9Very low94 Ų94123.7 Ų123.741%0.41267%0.671SS.*  trans-81.7147.1-170.8-76.4-131.1000113.4S52 L335S52-F858 WeakPolarHBondContact O-CE1 3.46Å; S52-F858 VanDerWaalsContact O-CZ 3.26Å; S52-F858 WeakPolarHBondContact O-CZ 3.48Å; L335-F858 HydrophobicContact CD1-CZ 4.06Å
859G25.7Very low27Very low75 Ų75125.3 Ų125.377%0.77367%0.673SS**  trans114.894.8140.200000116.3
860D27.8Very low27.4Very low175 Ų175123.1 Ų123.194%0.93667%0.667SS**  trans-134.8149.5146.8-108-39.2000108.2
861E28.4Very low27.7Very low181 Ų181123.2 Ų123.285%0.84667%0.672SS**  trans-87160.8-169.2-61-177.413400113.2C863E861-C863 PolarHBondContact O-N 2.64Å; E861-C863 VanDerWaalsContact O-N 3.16Å
862D26.9Very low27.7Very low158 Ų158121.8 Ų121.885%0.84568%0.683SS**  trans-54.7117.6176.5-94.3-58.6000112.5
863C25Very low27.9Very low133 Ų133123.2 Ų123.290%0.89970%0.704SS**  trans-130.363.8169.8-83.80000110.5E861E861-C863 PolarHBondContact O-N 2.64Å; E861-C863 VanDerWaalsContact O-N 3.16Å
864S27.2Very low28.3Very low94 Ų94129.3 Ų129.366%0.65772%0.723SS**  trans-89.6154.7164.843.70000111.4
865D26.9Very low28.5Very low155 Ų155129.8 Ų129.883%0.82974%0.735SS**  trans5897175.6-69-6.5000119
866L26.4Very low28.6Very low155 Ų155131.6 Ų131.681%0.81276%0.762SS**  -164.4151.6115.7-104.5164000112.8
867H30Very low28.9Very low160 Ų160138.1 Ų138.174%0.74179%0.789SS**  trans71.7137.6-173-46.9-74000114.6
868H32.2Very low29Very low176 Ų176143.2 Ų143.282%0.81580%0.797SS**  cis-124.6135.716.3-89.1-83.8000115
869N28.9Very low29.1Very low154 Ų154146.7 Ų146.782%0.82482%0.82SS**  trans-83.2132.5149.6-104.4-48000109.2
870N32Very low29.2Very low143 Ų143149.5 Ų149.577%0.76582%0.817SS**  trans-172.493.7145.2-98.6-14.6000113.5
871T31.4Very low29.1Very low116 Ų116146.3 Ų146.371%0.71281%0.808SS**  trans41.297.4133.258.30000120.9
872S27.3Very low29.1Very low108 Ų108144 Ų14476%0.75580%0.8SS**  54.9119.2121.565.80000122.5
873V31.2Very low29Very low154 Ų154141.6 Ų141.693%0.93380%0.796SS**  trans-134.2161.8138.6-179.40000108.8
874H32.1Very low29.1Very low181 Ų181139.7 Ų139.784%0.83878%0.784SS**  trans-86.5159.8-163.4-94.6-64.6000117.6
875S33.1Very low29Very low121 Ų121143.3 Ų143.385%0.84679%0.79SS**  trans82.5141.815077.10000119
876G29.6Very low29.1Very low74 Ų74143 Ų14376%0.76379%0.788SS**  cis144.1100.4-20.700000116.9
877K30.7Very low29Very low217 Ų217138.8 Ų138.894%0.94378%0.781SS**  trans-154.6156.1148.8-110.1170.5-175.61790109.5
878K30.2Very low29Very low183 Ų183141.7 Ų141.780%0.79679%0.787SS**  trans-112.3141.5-179.9-67.7179.9175.6-176.60110.1
879D29.2Very low28.9Very low167 Ų167141.4 Ų141.489%0.89379%0.786SS**  trans-156.9128.8140.7-76.4-48.8000104.4
880L26.3Very low29Very low135 Ų135140.6 Ų140.671%0.70778%0.777SS**  cis94.957.614.7-134.8179.7000116.3I882L880-I882 HydrophobicContact CD2-CD1 4.26Å
881S26.8Very low28.9Very low107 Ų107141.5 Ų141.575%0.74877%0.774SS**  trans-140.5128155.356.10000109
882I28.5Very low28.9Very low132 Ų132141 Ų14168%0.67777%0.772SS**  65.595.352.4-55.7173.2000108.2L880L880-I882 HydrophobicContact CD2-CD1 4.26Å
883S24.3Very low29.2Very low108 Ų108141.8 Ų141.876%0.75577%0.772SS**  78.5161.978.9-175.80000113
884S26.3Very low29.4Very low94 Ų94139.7 Ų139.766%0.65776%0.755SS**  trans66.6135.9179.223.70000114.7
885Q25.8Very low29.4Very low169 Ų169138.1 Ų138.179%0.7975%0.746SS**  62.1132.758.6-75.8-170.6-13.300114.3
886I29Very low29.4Very low150 Ų150142.9 Ų142.977%0.76975%0.746SS**  trans66.3113.9162.1-55.5152.7000114.9Y888I886-Y888 HydrophobicContact CG2-CD2 4.49Å
887G25Very low29.5Very low66 Ų66146.2 Ų146.268%0.6875%0.745SS**  trans-97.7167.5164.600000112.3
888Y29.1Very low29.6Very low220 Ų220144.7 Ų144.786%0.86374%0.739SS**  trans-158.3169.4162.2-111.5-75.9000112.4I886I886-Y888 HydrophobicContact CG2-CD2 4.49Å
889H30.2Very low29.5Very low171 Ų171143.6 Ų143.679%0.79274%0.741SS**  trans-66.1-178.1176.3-76.9-63.7000113.1
890Q30.3Very low29.7Very low136 Ų136141.4 Ų141.464%0.63673%0.729SS**  cis-178.3170.541.7-152.5165.60.500115.1
891F30.2Very low30.1Very low162 Ų162142.3 Ų142.371%0.71173%0.729SS**  trans75.5151.5156.9-68.3-53000119.3
892T31.7Very low30.1Very low106 Ų106144.8 Ų144.865%0.6573%0.731SS**  cis-154.8151.53.1-4.50000113.8
893T33.6Very low30.1Very low125 Ų125147.3 Ų147.377%0.76774%0.737SS**  trans64.2152.5152.350.90000120
894D35.2Very low30.6Very low109 Ų109150.7 Ų150.758%0.58374%0.738SS**  cis-154160.110.8-145.2-15.7000116.4
895K32.5Very low31Very low148 Ų148153.7 Ų153.764%0.64374%0.742SS**  trans49.4120.9153.4-80.8146.6-158.8154.10125.1
896R32.1Very low31.1Very low221 Ų221153 Ų15383%0.83474%0.743SS**  76.1153.3128.9-70.7175.4173.3-178.3-2.3120.4
897L31.9Very low31.2Very low144 Ų144152.1 Ų152.175%0.75474%0.74SS**  cis-171159.6-30.5-152.571.7000110.6
898K33.6Very low31.3Very low186 Ų186153.8 Ų153.881%0.80974%0.741SS**  trans80.994.8160-61.9-171.9177.7-178.40121.3
899L27.7Very low31.6Very low160 Ų160151.4 Ų151.484%0.83874%0.737SS**  trans-30138.8132.2177.878.2000115.7
900N33.9Very low31.6Very low121 Ų121153.4 Ų153.465%0.64774%0.738SS**  trans-170.8137.4141.2-110.2-20.1000116.1
901Q34Very low31.6Very low153 Ų153152 Ų15272%0.71574%0.738SS**  trans50.6113.6142-61.3164.715.100120
902M27.8Very low31.8Very low160 Ų160151.2 Ų151.279%0.78874%0.737SS**  72.3115.272.2-81.3-153.6-114.400118
903K28.2Very low31.9Very low184 Ų184152.8 Ų152.880%0.874%0.736SS**  trans56.6124.6145-60.7177.1179176.10119.9
904K34.2Very low31.9Very low179 Ų179155.3 Ų155.378%0.77873%0.732SS**  -174.7146.5113.8-102.7168.3175.8-178.60114.8
905Q34.1Very low31.9Very low158 Ų158157.5 Ų157.574%0.73874%0.738SS**  trans37.4123142.7-65.7157.7-48.600119.1
906L28.8Very low32.1Very low154 Ų154156.2 Ų156.281%0.80674%0.735SS**  cis80.4117.531.9-150.9115.9000115.6
907N30.8Very low32.4Very low131 Ų131152.5 Ų152.570%0.70173%0.726SS**  trans73.1106.4161.1-69.71.4000123
908S27.9Very low32.7Very low101 Ų101151.2 Ų151.271%0.70672%0.72SS**  trans72131.4130.373.70000121.7
909H34.5Very low32.9Very low170 Ų170147.9 Ų147.979%0.78771%0.711SS**  -169.2120.6120.2-99.152.5000107.2
910R31.2Very low33.4Very low214 Ų214146.8 Ų146.881%0.80871%0.706SS**  69.399.582.7-106.9-171.9176.4178.1-1115.6
911T29Very low33.7Very low105 Ų105146.2 Ų146.264%0.64471%0.709SS**  trans36.9127.3131.954.70000120.4
912H34.4Very low33.6Very low147 Ų147144.9 Ų144.968%0.68172%0.715SS**  173.9136.2108.5-97.9-78.8000113.5
913H34.7Very low33.8Very low138 Ų138147.9 Ų147.964%0.63972%0.718SS**  trans63.8157.7143.8-66.1-25.7000119.8
914R32.6Very low33.9Very low178 Ų178144.4 Ų144.467%0.67272%0.717SS**  cis-166.1156.8-12.9-118.2167.8170.9177-1.3109.9
915H35.7Very low33.8Very low155 Ų155139.8 Ų139.872%0.71872%0.72SS**  trans67.3159.8147.1-68.9-33.2000119.2
916H37.3Very low33.8Very low122 Ų122136.3 Ų136.357%0.56572%0.718SS**  cis-153.7148.21-113.8-48.2000111.3
917H38.3Very low33.8Very low142 Ų142134.4 Ų134.466%0.65771%0.713SS**  trans61151.8142.1-65.5-36.5000121.3
918N37.9Very low33.9Very low117 Ų117135.1 Ų135.163%0.62672%0.717SS**  cis-165.1162.4-11.3-115.85.5000113.5
919N37.8Very low34.1Very low116 Ų116136.9 Ų136.962%0.6272%0.718SS**  trans65.6149.6145.8-70.337000120.4
920D38.2Very low33.9Very low137 Ų137133.7 Ų133.773%0.73371%0.707SS**  cis-145.9161.2-3.4-109.3-31.5000113.2
921P40.4Very low33.8Very low109 Ų109131.8 Ų131.871%0.70870%0.7SS**  trans-123.5172.4-168.943.7-32.5000116.5
922C31.8Very low33.9Very low126 Ų126133.2 Ų133.285%0.85170%0.704SS**  trans-173.7151.7158.2-98.90000109.2
923R32.3Very low33.5Very low222 Ų222130 Ų13084%0.83870%0.698SS**  cis-169.596.3-7.4-174.6175.4-170.5-178.23108.1
924S30.4Very low33.1Very low112 Ų112130.5 Ų130.578%0.78370%0.702SS**  70.8125.794.676.40000118.6
925G32.3Very low32.9Very low81 Ų81128 Ų12884%0.83570%0.703SS**  trans110.2144.8163.800000114.9
926A33.3Very low32.4Very low85 Ų85126 Ų12670%0.70270%0.697SS**  cis-157.3120.3-10.500000106.8
927T29.2Very low32Very low115 Ų115125.1 Ų125.171%0.70669%0.693SS**  67145.789.469.30000116.5
928D31.7Very low31.3Very low146 Ų146122 Ų12278%0.78168%0.68SS**  trans70.8156.9160.8-36.2-50.9000116.6
929D32.9Very low30.7Very low137 Ų137121.6 Ų121.673%0.73367%0.672SS**  cis-155.5149.5-13.7-170.276.6000105.6R931D929-R931 IonicContact OD1-NH2 3.92Å; D929-R931 IonicContact OD2-NH2 3.64Å
930D30.5Very low30.2Very low104 Ų104122.3 Ų122.356%0.55667%0.672SS**  cis-170.1171.2-27.817826.4000106.6
931R29.6Very low29.7Very low174 Ų174120.3 Ų120.366%0.65766%0.655SS**  trans66164.3167.4-76.9163.4-112.1144.417.5117D929D929-R931 IonicContact OD1-NH2 3.92Å; D929-R931 IonicContact OD2-NH2 3.64Å
932D30.4Very low29.2Very low134 Ų134121.4 Ų121.472%0.71765%0.654SS**  cis-146.3148.4-12.6-124.2-32.5000113.7
933S26.5Very low28.9Very low81 Ų81117.9 Ų117.957%0.56663%0.626SS**  trans31.9113.5133.7-155.70000122.8
934M26.8Very low28.9Very low147 Ų147113 Ų11372%0.72461%0.612SS**  68.8145.8125.8-66.4178.362.700122.7
935N26.9Very low28.7Very low127 Ų127110.5 Ų110.568%0.67960%0.595SS**  trans69.6142147.5-70.214.1000119.2
936D26.7Very low28.6Very low113 Ų113114.6 Ų114.660%0.60459%0.592SS**  cis-164.4-171.2-22.4-151.9-35.9000107.5
937H27Very low28.2Very low103 Ų103113.6 Ų113.648%0.47757%0.574SS.*  trans61.7116.5137.7-75.211.9000120.1
938M25.3Very low27.9Very low77 Ų77113.3 Ų113.338%0.37957%0.568SS.*  66.8153.1124-59.814230.100118.9Y1105 V1106M938-Y1105 WeakPolarHBondContact CE-O 3.5Å; M938-Y1105 HydrophobicContact CG-CD1 3.91Å; M938-Y1105 HydrophobicContact CG-CG 4.33Å; M938-Y1105 VanDerWaalsContact CG-O 3.3Å; M938-Y1105 WeakPolarHBondContact CG-O 3.33Å; M938-V1106 HydrophobicContact CE-CG2 4.41Å; M938-V1106 HydrophobicContact SD-CB 4.29Å; M938-V1106 HydrophobicContact SD-CG1 4.38Å; M938-V1106 HydrophobicContact SD-CG2 4.19Å
939F25.6Very low27.7Very low107 Ų107113 Ų11347%0.46957%0.567SS.*  cis-137.1178.817.5-128.7-81.5000112.2C1103 D1104 Y1105F939-C1103 WeakPolarHBondContact CE1-O 3.49Å; F939-D1104 VanDerWaalsContact CB-CA 3.43Å; F939-D1104 HydrophobicContact CB-CB 3.97Å; F939-D1104 VanDerWaalsContact CB-OD1 3.26Å; F939-D1104 WeakPolarHBondContact CB-OD1 3.1Å; F939-D1104 HydrophobicContact CD1-CB 4.08Å; F939-D1104 WeakPolarHBondContact CD1-O 3.31Å; F939-D1104 HydrophobicContact CD2-CB 3.76Å; F939-D1104 VanDerWaalsContact CD2-CG 3.49Å; F939-D1104 WeakPolarHBondContact CD2-O 3.01Å; F939-D1104 WeakPolarHBondContact CD2-OD2 3.28Å; F939-D1104 WeakPolarHBondContact CE1-O 3.33Å; F939-D1104 HydrophobicContact CE2-CB 4.44Å; F939-D1104 WeakPolarHBondContact CE2-O 3.48Å; F939-D1104 HydrophobicContact CG-CB 3.58Å; F939-D1104 VanDerWaalsContact CG-CG 3.41Å; F939-D1104 WeakPolarHBondContact CG-O 3.37Å; F939-D1104 WeakPolarHBondContact CZ-O 3.48Å; F939-Y1105 VanDerWaalsContact CA-CB 3.45Å; F939-Y1105 HydrophobicContact CD1-CD2 4.49Å; F939-Y1105 HydrophobicContact CD1-CG 4.28Å; F939-Y1105 WeakPolarHBondContact CE2-O 3.36Å
940H27.3Very low27.5Very low131 Ų131113.9 Ų113.961%0.60657%0.566SS**  trans-61.3145.8168.3-104.9-68.4000111.3Y1105H940-Y1105 HydrophobicContact CB-CD2 4.17Å; H940-Y1105 AromaticContact CD2-CD2 3.33Å; H940-Y1105 WeakPolarHBondContact CD2-CD2 3.26Å; H940-Y1105 AromaticContact CD2-CE2 3.41Å; H940-Y1105 VanDerWaalsContact CD2-CE2 3.41Å; H940-Y1105 WeakPolarHBondContact CD2-CE2 3.19Å; H940-Y1105 AromaticContact CG-CD2 3.86Å; H940-Y1105 AromaticContact NE2-CE2 3.73Å
941Y26.8Very low27.1Very low96 Ų96111.9 Ų111.938%0.37656%0.559SS.*  trans-137.9128.1143.4-96-57.1000118.8K1102 C1103 D1104Y941-K1102 HydrophobicContact CD1-CD 3.84Å; Y941-K1102 HydrophobicContact CD1-CG 3.96Å; Y941-K1102 HydrophobicContact CD2-CD 4.21Å; Y941-K1102 HydrophobicContact CE1-CB 3.81Å; Y941-K1102 HydrophobicContact CE1-CD 3.44Å; Y941-K1102 VanDerWaalsContact CE1-CD 3.44Å; Y941-K1102 HydrophobicContact CE1-CG 3.29Å; Y941-K1102 HydrophobicContact CE2-CD 3.74Å; Y941-K1102 HydrophobicContact CE2-CG 4.44Å; Y941-K1102 VanDerWaalsContact CE2-NZ 3.32Å; Y941-K1102 HydrophobicContact CG-CD 4.29Å; Y941-K1102 VanDerWaalsContact CZ-CD 3.41Å; Y941-K1102 VanDerWaalsContact OH-C 3.31Å; Y941-K1102 WeakPolarHBondContact OH-CA 3.1Å; Y941-K1102 WeakPolarHBondContact OH-CB 3.33Å; Y941-C1103 WeakPolarHBondContact OH-CA 3.42Å; Y941-C1103 PolarHBondContact OH-N 3.27Å; Y941-D1104 HydrophobicContact CE2-CB 4.24Å; Y941-D1104 VanDerWaalsContact CE2-OD1 3.31Å; Y941-D1104 WeakPolarHBondContact CE2-OD1 3.42Å; Y941-D1104 WeakPolarHBondContact OH-CB 3.24Å; Y941-D1104 PolarHBondContact OH-N 3.34Å
942D29.8Very low27Very low131 Ų131111 Ų11170%0.70156%0.562SS**  trans-106.1-173.3175.9-177.925.2000110.6
943Q26.3Very low26.7Very low53 Ų53110.9 Ų110.925%0.24856%0.56CS.*  trans9299.2164.9-55.1178.4-53.600116.6K1099 M1100Q943-K1099 HydrophobicContact CB-CG 3.94Å; Q943-K1099 WeakPolarHBondContact O-CE 3.4Å; Q943-K1099 PolarHBondContact O-NZ 3.35Å; Q943-M1100 HydrophobicContact CB-CE 4.12Å; Q943-M1100 VanDerWaalsContact OE1-CA 3.32Å
944E32.2Very low26.7Very low119 Ų119113.3 Ų113.356%0.55657%0.567SS**  43144.1104.2-79.4-159.7122.600119.5I1097 K1099E944-I1097 HydrophobicContact CB-CG2 3.5Å; E944-I1097 HydrophobicContact CG-CG2 3.87Å; E944-I1097 WeakPolarHBondContact OE1-CG2 2.99Å; E944-K1099 WeakPolarHBondContact O-CD 3.42Å; E944-K1099 WeakPolarHBondContact O-CE 3.12Å; E944-K1099 WeakPolarHBondContact O-CG 3.14Å; E944-K1099 PolarHBondContact O-NZ 3.49Å
945S26.5Very low26.7Very low59 Ų59112.6 Ų112.641%0.41357%0.566SS.*  trans-157.6142.1157.1-45.90000113.2K1099S945-K1099 PolarHBondContact OG-NZ 2.72Å
946Q29.6Very low26.7Very low167 Ų167111.4 Ų111.478%0.7856%0.563SS**  trans64.494.8153-65.2171.11600115.3I1097Q946-I1097 PolarHBondContact N-O 3.15Å; Q946-I1097 VanDerWaalsContact N-O 3.15Å
947L24.2Very low26.8Very low64 Ų64113.9 Ų113.934%0.33557%0.569SS.*  cis76.1120.145.9-123.5178.1000114I1097 I1098L947-I1097 VanDerWaalsContact CA-N 3.27Å; L947-I1097 WeakPolarHBondContact CB-O 3.33Å; L947-I1097 WeakPolarHBondContact CD1-O 3.42Å; L947-I1097 VanDerWaalsContact CG-C 3.45Å; L947-I1097 VanDerWaalsContact CG-O 3.26Å; L947-I1097 WeakPolarHBondContact CG-O 3.37Å; L947-I1098 HydrophobicContact CD1-CB 3.59Å; L947-I1098 HydrophobicContact CD1-CD1 3.84Å; L947-I1098 HydrophobicContact CD1-CG1 3.48Å; L947-I1098 VanDerWaalsContact CD1-CG1 3.48Å; L947-I1098 HydrophobicContact CG-CB 4.46Å
948L23.6Very low27Very low109 Ų109115.1 Ų115.157%0.57158%0.575SS**  trans41117.8155.2-85171.5000118.7
949N26.8Very low27.3Very low141 Ų141116.7 Ų116.775%0.75459%0.585SS**  178.5146.6120-87.4-21.2000109.8
950H28.5Very low27.8Very low155 Ų155118.5 Ų118.572%0.71860%0.595SS**  cis-151.6-176.1-17.3-14570.1000109.4
951C22.4Very low28.2Very low61 Ų61118.2 Ų118.241%0.41260%0.598SS.*  trans-77.8178.5175-79.20000114.1R1093C951-R1093 PolarHBondContact SG-NH1 3.18Å; C951-R1093 PolarHBondContact SG-NH2 2.62Å
952H27.1Very low28.6Very low155 Ų155119.7 Ų119.772%0.71862%0.616SS**  trans102.6120.7166.4-61.4-83.9000115.4
953I25.5Very low28.8Very low132 Ų132116.5 Ų116.568%0.67761%0.614SS**  cis101.214437.5-76171.8000111.2
954N26.6Very low29.2Very low132 Ų132120.6 Ų120.671%0.70664%0.638SS**  trans82.8122-175-65.9-35000114.2
955N26.5Very low29.4Very low132 Ų132121 Ų12171%0.70664%0.639SS**  76134.663.3-72.3-41.2000110.9
956T27.3Very low29.8Very low102 Ų102128.1 Ų128.163%0.62666%0.657SS**  cis-167.4157.515.51.20000111.2
957K27.9Very low29.9Very low166 Ų166128.3 Ų128.372%0.72266%0.655SS**  trans66.3156.4147.8-68.8167.3168-105.60117.1
958E31.8Very low30.4Very low128 Ų128134 Ų13460%0.59868%0.678SS**  cis-156.8150.9-4.8-123.2163.1-15200114.3
959N31.6Very low30.9Very low111 Ų111135.6 Ų135.659%0.59468%0.682SS**  trans68130.1138.8-74.6-14.9000126.2
960H36.4Very low31.3Very low145 Ų145136.5 Ų136.567%0.67168%0.681SS**  trans72.9143.4138.9-62.2-33.4000120.5
961N34.8Very low31.4Very low125 Ų125134 Ų13467%0.66868%0.677SS**  cis-159.4152.8-7.8-114.5-11.8000114.2
962V34.4Very low31.9Very low126 Ų126137.3 Ų137.376%0.76470%0.695SS**  trans41.9132.7144.7-1770000120.6
963G35.4Very low32.2Very low64 Ų64136.8 Ų136.866%0.6670%0.698SS**  cis148.5174.7-6.900000115.2
964N34.6Very low32.5Very low140 Ų140138.6 Ų138.675%0.74970%0.703SS**  trans71.4150.9167.6-73.5-39.6000118.6
965H36.8Very low32.7Very low127 Ų127140.6 Ų140.659%0.58871%0.713SS**  cis-156.3137.610.9-132.220.3000115.1
966R34.4Very low32.8Very low209 Ų209138.8 Ų138.879%0.78971%0.71SS**  trans57.7156.2141.5-69.2177.6174.8-175.8-0.8123.3
967K32.2Very low32.7Very low170 Ų170138.9 Ų138.974%0.73972%0.715SS**  cis-175.8157.8-37.4-135.7-176.2-178.6-176.90113.8
968K33.7Very low32.8Very low184 Ų184137.9 Ų137.980%0.872%0.717SS**  trans96124.3165.6-59.1179.4178.4-177.10115.4
969H34.4Very low32.6Very low142 Ų142139.2 Ų139.266%0.65773%0.727SS**  cis77.3136.242.6-64.6-66.3000113.5
970H35.5Very low32.4Very low161 Ų161139.2 Ų139.275%0.74573%0.731SS**  cis-138.3151.526.7-81.8-80.5000111.2
971T30.8Very low32Very low101 Ų101136.8 Ų136.862%0.6273%0.73SS**  54130.362.568.50000114.5
972T31.9Very low31.6Very low131 Ų131135 Ų13580%0.80473%0.728SS**  cis-162.7-168.52.510.40000107
973N34.3Very low31.3Very low144 Ų144136.1 Ų136.177%0.7773%0.729SS**  cis-159.5-176.719.1-160.67.7000111.7
974H30.5Very low30.9Very low170 Ų170140.2 Ų140.279%0.78773%0.734SS**  trans-79.5151.8172-79.7-99.8000115.4
975L32.4Very low30.5Very low174 Ų174139.6 Ų139.691%0.91174%0.739SS**  -168.1-179.3124.3-107166000111.9
976S26.7Very low30.2Very low94 Ų94141.1 Ų141.166%0.65775%0.751SS**  trans-128.3154.5-152.757.20000117.9
977S27.1Very low30.3Very low104 Ų104136.4 Ų136.473%0.72775%0.747SS**  trans91.4154.8144.981.90000121.4
978I29.2Very low30.3Very low146 Ų146135.4 Ų135.475%0.74975%0.75SS**  trans79.291.8161.8-56.3173000118.5
979L27.7Very low30.4Very low155 Ų155134.5 Ų134.581%0.81275%0.749SS**  56.2155.3126-74.6166.7000124.4
980T27.3Very low30.3Very low112 Ų112137 Ų13769%0.68776%0.758SS**  trans73.688.2157410000120.6
981S27.6Very low30.3Very low94 Ų94135.7 Ų135.766%0.65776%0.756SS**  73136.7116.869.60000122.4
982S27.6Very low30.4Very low88 Ų88136.6 Ų136.662%0.61576%0.757SS**  trans103.7112.1141.6-58.30000120.1
983L26.7Very low30.5Very low149 Ų149138.6 Ų138.678%0.7876%0.757SS**  trans78.3115.3136.3-62.4168000121.4
984I27.1Very low30.6Very low150 Ų150139.2 Ų139.277%0.76976%0.759SS**  trans70.3115.2135.1-59.1169.8000118.5
985C27.1Very low30.6Very low127 Ų127139.7 Ų139.786%0.85876%0.759SS**  -157.5132.5123.6-119.10000111.2
986L30.7Very low30.6Very low159 Ų159138.4 Ų138.483%0.83275%0.753SS**  trans-134.7150.2171.6-81.6175.3000109
987P36Very low31.1Very low110 Ų110143.7 Ų143.771%0.71476%0.764SS**  -112.3141.5128-6.526.8000109.5
988N32.2Very low31.2Very low149 Ų149147 Ų14780%0.79777%0.774SS**  5913775.2-61.1-14.1000112.5
989E35.3Very low31.3Very low165 Ų165143.3 Ų143.377%0.77177%0.771SS**  cis-143.5144.429.7-57170.5139.900113.3
990F33.7Very low31.5Very low195 Ų195143.5 Ų143.586%0.85577%0.772SS**  -180156.7108.1-113.9-95.1000109.9
991N34.4Very low31.7Very low133 Ų133145.3 Ų145.371%0.71178%0.775SS**  trans-147.9160-151-159.15.8000116.1
992N32.2Very low31.7Very low120 Ų120149.5 Ų149.564%0.64279%0.785SS**  trans69.8121.6166.3-54.1-59.5000118.7
993H35.8Very low31.7Very low173 Ų173154 Ų15480%0.80180%0.796SS**  -158.3155.788.8-125.6-95.3000115.4
994I35.3Very low32Very low156 Ų156155.7 Ų155.780%0.880%0.8SS**  trans71.5128.6169.1-56.9176.6000117.1
995K30.7Very low32.1Very low180 Ų180157 Ų15778%0.78380%0.802SS**  trans-119.6174.2177.5-70-179.8174.11760110.7
996N32.9Very low32Very low148 Ų148159.5 Ų159.579%0.79180%0.802SS**  trans75.9103.9156.4-59.5-16.9000117.8
997K36.3Very low31.9Very low205 Ų205161.3 Ų161.389%0.89181%0.806SS**  -158.412194-101.7169.2-178176.60111.2
998N30.3Very low31.7Very low174 Ų174161 Ų16193%0.9381%0.806SS**  trans-82.7141.7161-83.4-10.8000108.9
999G30.6Very low31.4Very low68 Ų68165.9 Ų165.970%0.70182%0.815SS**  trans170135.5165.200000115.8
1000I31.7Very low31.1Very low159 Ų159162 Ų16282%0.81581%0.807SS**  trans83.4107.4143.5-59179.2000117.8
1001I31.7Very low30.8Very low150 Ų150158.7 Ų158.777%0.76980%0.802SS**  trans89.5120.3148.8-70.6168.4000119.7
1002Q26.6Very low30.6Very low182 Ų182163.5 Ų163.585%0.8581%0.812SS**  trans-84.9135.7160.3-53.5158.5-41.900108.9
1003Q29.1Very low30.6Very low182 Ų182163.4 Ų163.485%0.8582%0.816SS**  trans-171.2171.7141.3-109.4167.131.900111.3
1004Q32.8Very low30.3Very low184 Ų184160.2 Ų160.286%0.8681%0.813SS**  trans65.360.2176.1-57.3-171.4200116.6
1005Q28.2Very low30.5Very low177 Ų177157.8 Ų157.883%0.82781%0.808SS**  trans-85.2101135.6-79.8-171.3-24.700108.8
1006Q26.4Very low30.6Very low181 Ų181159.4 Ų159.485%0.84682%0.815SS**  trans179.3155.6154.2-104.4164.625.300109.8
1007Q28.7Very low30.4Very low197 Ų197161.4 Ų161.492%0.92182%0.817SS**  trans70133.9-169.9-48.2179.514.400112.9
1008S30.1Very low30.1Very low103 Ų103162.4 Ų162.472%0.7282%0.817SS**  cis-145.2106.1-4.254.50000112.4
1009Y26.5Very low30Very low251 Ų251164.3 Ų164.398%0.98481%0.811SS**  trans-109.187.7160.8-107.4-82.4000108
1010S28.9Very low30Very low85 Ų85165.8 Ų165.859%0.59481%0.81SS**  trans-165.7115.6172.655.70000112.7
1011T27.2Very low29.9Very low124 Ų124166.7 Ų166.776%0.76181%0.811SS**  trans17.8113.3143.653.40000118.5
1012Y31.2Very low29.9Very low234 Ų234166.7 Ų166.792%0.91881%0.812SS**  trans-110.373.6155.3-104.2-77.4000111.7
1013T32Very low30.3Very low119 Ų119163.2 Ų163.273%0.7381%0.805SS**  trans-69.3133.2149.146.50000108.6
1014S30.1Very low30.5Very low105 Ų105161.8 Ų161.873%0.73481%0.809SS**  trans-60.8167.8166.485.40000111.2
1015P37.7Very low30.7Very low106 Ų106157.7 Ų157.769%0.68880%0.801SS**  cis-136160.69.340-23.8000115.8
1016F32.7Very low31.1Very low213 Ų213155.3 Ų155.393%0.93480%0.799SS**  trans-140.9148.5146.7-109.4-78.7000112.5
1017K30.1Very low31.6Very low191 Ų191152.3 Ų152.383%0.8380%0.795SS**  trans-76.5132.9-172-60.3164.5-178.9170.20110.8
1018Y29.7Very low32.3Very low226 Ų226148.2 Ų148.289%0.88679%0.785SS**  trans-125.4132.2132.1-120.6-89.9000111.2
1019R28.2Very low32.7Very low214 Ų214148.9 Ų148.981%0.80879%0.787SS**  trans-14.1112-176.4-153.4175.2-150.7167.14.7117.9
1020S29.6Very low33.2Very low99 Ų99142.7 Ų142.769%0.69278%0.778SS**  trans-69.1146.6152.449.40000110.9
1021Q30Very low33.4Very low177 Ų177146.6 Ų146.683%0.82779%0.791SS**  trans-125.5126.1148.5-76.6-165-44.600108.4
1022L32.8Very low33.5Very low150 Ų150147.8 Ų147.879%0.78579%0.792SS**  trans-86.4153.1176.3-75.6134.2000109.9
1023P33.6Very low33.7Very low110 Ų110144.5 Ų144.571%0.71479%0.789SS**  trans-73.3147.6168.832.7-35.1000110.9
1024T34.7Very low33.6Very low152 Ų152145.3 Ų145.393%0.93379%0.793SS**  trans-179.6166.4141.220.10000111
1025S35.9Very low33.6Very low98 Ų98144.2 Ų144.269%0.68580%0.799SS**  trans-103.5130.1-162.353.90000115.5
1026T36.2Very low33.2Very low127 Ų127144.1 Ų144.178%0.77980%0.801SS**  trans62.1152.8138.9620000121.7
1027P38.1Very low33.3Very low117 Ų117143.2 Ų143.276%0.7680%0.797SS**  cis-133.5-135.5-42.344.2-25.5000110.9
1028P42.6Very low33.4Very low111 Ų111140.9 Ų140.972%0.72179%0.793SS**  trans-117.3-158.4-146.435.7-9.7000112.3
1029P38.3Very low33.7Very low118 Ų118137.6 Ų137.677%0.76679%0.786SS**  cis-129.8-176.9-144.1-25.9000114.8
1030P36.9Very low34.1Very low121 Ų121133.4 Ų133.479%0.78678%0.779SS**  trans-105171.7-164.340.5-35.5000115.8
1031L34.6Very low34.3Very low167 Ų167135.8 Ų135.887%0.87478%0.779SS**  trans-151.7161.2155.4-114169.3000111
1032L29.2Very low34.6Very low149 Ų149132.3 Ų132.378%0.7877%0.774SS**  trans-78.1155.3-175.2-65.974.2000112.2
1033I33.6Very low34.8Very low165 Ų165131.2 Ų131.285%0.84677%0.769SS**  -177.3155.3115.2-93157.4000111.3
1034T29.9Very low34.9Very low135 Ų135132.2 Ų132.283%0.82877%0.768SS**  trans-72.5148.2-177.352.10000114.7
1035G31.8Very low34.9Very low83 Ų83130.7 Ų130.786%0.85675%0.754SS**  trans-173.8127.6164.300000113.7
1036S29.6Very low34.9Very low104 Ų104132.8 Ų132.873%0.72775%0.753SS**  trans-119.5139.4177.8170.40000110.7
1037K32.8Very low34.8Very low194 Ų194133.1 Ų133.184%0.84375%0.746SS**  -179.8172.6127.4-98.1169.8-177.6-173.90113.5
1038N32.8Very low34.6Very low141 Ų141133.8 Ų133.875%0.75474%0.742SS**  trans-101.1-155.1-162.7-55.1-15.9000113.5
1039H36.2Very low34.1Very low158 Ų158135.3 Ų135.373%0.73174%0.743SS**  trans93.9140.9176.1-53.4-75.6000115.2
1040D35.9Very low33.8Very low126 Ų126137.5 Ų137.567%0.67475%0.745SS**  cis-173.4167.6-16.9-98.6-15.6000107.4
1041Q34.9Very low33.5Very low149 Ų149136 Ų13670%0.69674%0.738SS**  cis-165.8-176.5-17.8178.2170.16.500107.4
1042S35.5Very low33.4Very low103 Ų103138.1 Ų138.172%0.7274%0.74SS**  trans85.8129.7168.167.50000118
1043D36.6Very low33.5Very low128 Ų128135.9 Ų135.968%0.68474%0.737SS**  cis92.1142.928.5-61.6-40.1000112.9
1044L36.2Very low33.4Very low131 Ų131136.1 Ų136.169%0.68674%0.739SS**  cis-158.6155.79.8-152.178.1000111.4
1045D35.6Very low33.8Very low119 Ų119135 Ų13564%0.63673%0.734SS**  trans54.6163.2138.8-86.7-5.2000123.3
1046Q35.1Very low34Very low142 Ų142138.1 Ų138.166%0.66474%0.737SS**  cis-172.5176.6-21.6-124.2-17575.200107.5
1047H35.5Very low33.9Very low135 Ų135140.6 Ų140.663%0.62574%0.737SS**  cis-165.3164.2-13.8-151.726.8000109.4
1048L33.4Very low33.9Very low131 Ų131137.2 Ų137.269%0.68673%0.733SS**  trans63.8157161.5-51.3166.4000117.4
1049L31.5Very low33.8Very low143 Ų143138.7 Ų138.775%0.74974%0.735SS**  cis-158.4-173.4-20.1-105.8174.4000105.7
1050M32.8Very low33.5Very low164 Ų164139.1 Ų139.181%0.80874%0.737SS**  cis-150.3-15511.8-148175.3-174.600110.3
1051S29.1Very low33.3Very low90 Ų90141.3 Ų141.363%0.62975%0.747SS**  trans-143.5149.2-175.359.20000113.8
1052F33Very low33Very low210 Ų210137.2 Ų137.292%0.92174%0.739SS**  trans-151.9154.9148.6-99.3-68.8000111.4
1053S30.7Very low32.7Very low102 Ų102138.6 Ų138.671%0.71375%0.748SS**  trans-141.8153.6-171.1-45.70000110.8
1054L33.4Very low32.3Very low170 Ų170137.2 Ų137.289%0.8975%0.749SS**  trans-176.5133.1149.9-104.9159.3000111.5
1055P38.1Very low32.1Very low112 Ų112140.1 Ų140.173%0.72776%0.756SS**  trans-113.2156.5170.838.7-30.3000113
1056T34.4Very low31.8Very low149 Ų149141.4 Ų141.491%0.91476%0.762SS**  trans-155.9148.11597.90000113.1
1057Q29.4Very low31.7Very low155 Ų155141 Ų14172%0.72477%0.765SS**  trans-88160.7165.2-59.8165.2-15.100109.5
1058T31.1Very low31.7Very low123 Ų123141 Ų14176%0.75577%0.769SS**  168.8141.310836.60000114.2
1059H32.2Very low31.8Very low173 Ų173140.5 Ų140.580%0.80177%0.767SS**  trans37.2149.4146.4-77.5-83.2000125.5
1060Q29.3Very low32Very low167 Ų167140.6 Ų140.678%0.7876%0.763SS**  trans-61.1155.2165.4-52.2146.8-55.600112.4
1061I31.4Very low32.1Very low172 Ų172139.9 Ų139.988%0.88277%0.768SS**  -170.1146.5121-97.4153.6000108.6
1062A28.6Very low32.3Very low63 Ų63142.2 Ų142.252%0.52177%0.769SS.*  trans-101.9141.7178.100000111.6
1063S29.1Very low32.5Very low131 Ų131140.6 Ų140.692%0.91676%0.764SS**  trans-174.5158.2142.4-87.20000112.8
1064S28Very low32.6Very low100 Ų100140 Ų14070%0.69976%0.759SS**  trans-83.3158.1179.954.70000113.7
1065K32.3Very low32.8Very low192 Ų192138.9 Ų138.984%0.83575%0.754SS**  -178.2128.6122.7-99.3163.5-175.6176.80115.2
1066L30.3Very low32.6Very low146 Ų146138.2 Ų138.276%0.76475%0.752SS**  trans33.4122.6136.8-71.1161.6000122
1067N31.8Very low32.7Very low134 Ų134137.9 Ų137.972%0.71774%0.743SS**  trans26.1129.7132.5-63.68000121
1068N35.5Very low33Very low134 Ų134139.8 Ų139.872%0.71775%0.749SS**  -174.8147.494.3-101.4-22.7000116.4
1069N36.2Very low33.3Very low121 Ų121139.9 Ų139.965%0.64775%0.749SS**  trans65.7117.9141.7-62.9-11.2000124.4
1070H34.9Very low33.6Very low145 Ų145138.9 Ų138.967%0.67175%0.75SS**  56.3131.8128.5-72.5-74.9000123.1
1071V35Very low34.4Very low148 Ų148135.9 Ų135.990%0.89775%0.745SS**  -144.5161.397.5161.90000108.5
1072Q34.6Very low34.8Very low139 Ų139135 Ų13565%0.6574%0.742SS**  trans-115.3161.7-174.8-61.9168.9-96.400113.8
1073H35.4Very low35.2Very low177 Ų177136.1 Ų136.182%0.81975%0.746SS**  trans156.5146.2133.9-82.2-49.7000110.5
1074C34.3Very low35.5Very low90 Ų90139 Ų13961%0.60874%0.738SS**  cis-158.2147.9-12.7-1260000111.1
1075D36.2Very low35.9Very low146 Ų146142 Ų14278%0.78174%0.74SS**  trans29152.1140.3-61.7-44000123.2
1076S35.7Very low35.9Very low98 Ų98136.8 Ų136.869%0.68573%0.728SS**  cis-166171.6-9.247.90000107.5
1077I36.3Very low35.9Very low142 Ų142140.6 Ų140.673%0.72873%0.734SS**  -167.8122.755.2-66.3177.4000105.7
1078K34.9Very low35.9Very low195 Ų195142.7 Ų142.785%0.84874%0.739SS**  50.2146.397.7-61.6-176.4176.9175.30116.4
1079T37.2Very low36Very low125 Ų125141 Ų14177%0.76774%0.735SS**  cis-147.912630.348.50000117.3
1080N38.2Very low35.6Very low152 Ų152139.9 Ų139.981%0.81374%0.737SS**  52.8143129-122.255.9000126.9
1081P46.7Very low35.3Very low104 Ų104138.7 Ų138.768%0.67574%0.74SS**  trans-119.2-170.5171.945.1-34.9000115.2
1082N39.5Very low35Very low153 Ų153137.9 Ų137.982%0.81874%0.735SS**  trans-172159.2161.4-95-30.6000110.9
1083S36.8Very low34.9Very low86 Ų86141.6 Ų141.660%0.60174%0.744SS**  cis-171.1158.8-26.454.40000113.7
1084Y35.3Very low34.7Very low192 Ų192140.7 Ų140.775%0.75375%0.745SS**  trans68.7127.8154.4-71-60.9000126.1
1085H36.7Very low34.4Very low163 Ų163147.1 Ų147.176%0.75576%0.756SS**  trans52.9154.5135.4-68.5-33.8000122.9
1086S31.6Very low34.2Very low82 Ų82143.6 Ų143.657%0.57374%0.743SS**  cis-173.9176.5-26.956.40000110.3
1087Y32.2Very low33.9Very low227 Ų227141.1 Ų141.189%0.8972%0.722SS**  trans93.2138.7171.1-76-88.3000121.5
1088H31.1Very low33.6Very low177 Ų177141.4 Ų141.482%0.81972%0.723SS**  trans-94.3-178.8170.1-97.2-74.3000110.3
1089P36.8Very low33.4Very low99 Ų99136 Ų13664%0.64370%0.7SS**  cis-137.6-177.8-20.530.7-8.8000115.1
1090S28.7Very low33.1Very low97 Ų97133.8 Ų133.868%0.67868%0.682SS**  trans72.6137.3139.857.50000123.9
1091T28.9Very low32.9Very low120 Ų120132 Ų13274%0.73668%0.678SS**  trans75.7120.2148.746.40000122.8
1092T28.8Very low32Very low131 Ų131131.8 Ų131.880%0.80467%0.667SS**  trans64117145.8570000120.9
1093R31.4Very low31.6Very low218 Ų218130.2 Ų130.282%0.82367%0.666SS**  -156.8167.9124-113.3169.7-171.3-146.6-3.3113C951C951-R1093 PolarHBondContact SG-NH1 3.18Å; C951-R1093 PolarHBondContact SG-NH2 2.62Å
1094N31.4Very low31.3Very low157 Ų157130 Ų13084%0.8466%0.658SS**  trans-87.6165.6-165.1-105.9-28.4000114.8
1095R29Very low31Very low225 Ų225125.1 Ų125.185%0.84964%0.639SS**  trans-43.2146.7172.6-63.6173.2170.8174.8-4.7115.2
1096S31.9Very low30.7Very low72 Ų72122.5 Ų122.550%0.50363%0.634SS.*  trans-160.1132.5154.144.40000112.9
1097I28.6Very low30.5Very low47 Ų47127.5 Ų127.524%0.24164%0.641CS.*  trans-118.8105.5-165-60.1161000113.3E944 Q946 L947E944-I1097 HydrophobicContact CB-CG2 3.5Å; E944-I1097 HydrophobicContact CG-CG2 3.87Å; E944-I1097 WeakPolarHBondContact OE1-CG2 2.99Å; Q946-I1097 PolarHBondContact N-O 3.15Å; Q946-I1097 VanDerWaalsContact N-O 3.15Å; L947-I1097 VanDerWaalsContact CA-N 3.27Å; L947-I1097 WeakPolarHBondContact CB-O 3.33Å; L947-I1097 WeakPolarHBondContact CD1-O 3.42Å; L947-I1097 VanDerWaalsContact CG-C 3.45Å; L947-I1097 VanDerWaalsContact CG-O 3.26Å; L947-I1097 WeakPolarHBondContact CG-O 3.37Å
1098I31.1Very low30.4Very low147 Ų147125.4 Ų125.475%0.75464%0.641SS**  trans-98.7149.9173.1-143.4160.3000111.1L947L947-I1098 HydrophobicContact CD1-CB 3.59Å; L947-I1098 HydrophobicContact CD1-CD1 3.84Å; L947-I1098 HydrophobicContact CD1-CG1 3.48Å; L947-I1098 VanDerWaalsContact CD1-CG1 3.48Å; L947-I1098 HydrophobicContact CG-CB 4.46Å
1099K30.1Very low30.3Very low83 Ų83122.4 Ų122.436%0.36164%0.64SS.*  trans-141.9145.5-153-164.9-151.9170.7114.80114.4Q943 E944 S945Q943-K1099 HydrophobicContact CB-CG 3.94Å; Q943-K1099 WeakPolarHBondContact O-CE 3.4Å; Q943-K1099 PolarHBondContact O-NZ 3.35Å; E944-K1099 WeakPolarHBondContact O-CD 3.42Å; E944-K1099 WeakPolarHBondContact O-CE 3.12Å; E944-K1099 WeakPolarHBondContact O-CG 3.14Å; E944-K1099 PolarHBondContact O-NZ 3.49Å; S945-K1099 PolarHBondContact OG-NZ 2.72Å
1100M30.3Very low30.1Very low78 Ų78126.3 Ų126.338%0.38467%0.67SS.*  trans69.2161.6166.1-57.2-134.7131.500116.5Q943 K1102Q943-M1100 HydrophobicContact CB-CE 4.12Å; Q943-M1100 VanDerWaalsContact OE1-CA 3.32Å; M1100-K1102 HydrophobicContact CE-CD 3.99Å; M1100-K1102 HydrophobicContact CE-CG 3.71Å; M1100-K1102 HydrophobicContact SD-CD 4.11Å; M1100-K1102 HydrophobicContact SD-CG 3.78Å
1101P33.7Very low30.2Very low113 Ų113127.8 Ų127.873%0.73467%0.669SS**  cis-99.1162.8-4.48.615.1000112.5
1102K28.2Very low30.3Very low101 Ų101128.2 Ų128.244%0.43967%0.666SS.*  cis78.482.646.3-61.1-134.7164.8-1530116.9Y941 M1100Y941-K1102 HydrophobicContact CD1-CD 3.84Å; Y941-K1102 HydrophobicContact CD1-CG 3.96Å; Y941-K1102 HydrophobicContact CD2-CD 4.21Å; Y941-K1102 HydrophobicContact CE1-CB 3.81Å; Y941-K1102 HydrophobicContact CE1-CD 3.44Å; Y941-K1102 VanDerWaalsContact CE1-CD 3.44Å; Y941-K1102 HydrophobicContact CE1-CG 3.29Å; Y941-K1102 HydrophobicContact CE2-CD 3.74Å; Y941-K1102 HydrophobicContact CE2-CG 4.44Å; Y941-K1102 VanDerWaalsContact CE2-NZ 3.32Å; Y941-K1102 HydrophobicContact CG-CD 4.29Å; Y941-K1102 VanDerWaalsContact CZ-CD 3.41Å; Y941-K1102 VanDerWaalsContact OH-C 3.31Å; Y941-K1102 WeakPolarHBondContact OH-CA 3.1Å; Y941-K1102 WeakPolarHBondContact OH-CB 3.33Å; M1100-K1102 HydrophobicContact CE-CD 3.99Å; M1100-K1102 HydrophobicContact CE-CG 3.71Å; M1100-K1102 HydrophobicContact SD-CD 4.11Å; M1100-K1102 HydrophobicContact SD-CG 3.78Å
1103C30.5Very low30.3Very low119 Ų119128 Ų12880%0.80466%0.658SS**  trans-148.1102.8133.2-84.40000105.4F939 Y941F939-C1103 WeakPolarHBondContact CE1-O 3.49Å; Y941-C1103 WeakPolarHBondContact OH-CA 3.42Å; Y941-C1103 PolarHBondContact OH-N 3.27Å
1104D31.3Very low30.3Very low81 Ų81122.7 Ų122.743%0.43365%0.648SS.*  67.8066.8-150.687.5000111.9F939 Y941F939-D1104 VanDerWaalsContact CB-CA 3.43Å; F939-D1104 HydrophobicContact CB-CB 3.97Å; F939-D1104 VanDerWaalsContact CB-OD1 3.26Å; F939-D1104 WeakPolarHBondContact CB-OD1 3.1Å; F939-D1104 HydrophobicContact CD1-CB 4.08Å; F939-D1104 WeakPolarHBondContact CD1-O 3.31Å; F939-D1104 HydrophobicContact CD2-CB 3.76Å; F939-D1104 VanDerWaalsContact CD2-CG 3.49Å; F939-D1104 WeakPolarHBondContact CD2-O 3.01Å; F939-D1104 WeakPolarHBondContact CD2-OD2 3.28Å; F939-D1104 WeakPolarHBondContact CE1-O 3.33Å; F939-D1104 HydrophobicContact CE2-CB 4.44Å; F939-D1104 WeakPolarHBondContact CE2-O 3.48Å; F939-D1104 HydrophobicContact CG-CB 3.58Å; F939-D1104 VanDerWaalsContact CG-CG 3.41Å; F939-D1104 WeakPolarHBondContact CG-O 3.37Å; F939-D1104 WeakPolarHBondContact CZ-O 3.48Å; Y941-D1104 HydrophobicContact CE2-CB 4.24Å; Y941-D1104 VanDerWaalsContact CE2-OD1 3.31Å; Y941-D1104 WeakPolarHBondContact CE2-OD1 3.42Å; Y941-D1104 WeakPolarHBondContact OH-CB 3.24Å; Y941-D1104 PolarHBondContact OH-N 3.34Å
1105Y28.3Very low30.2Very low90 Ų90120.6 Ų120.635%0.35364%0.636SS.*  0166.90-175.9-88.8000103.1M938 F939 H940 R1107M938-Y1105 WeakPolarHBondContact CE-O 3.5Å; M938-Y1105 HydrophobicContact CG-CD1 3.91Å; M938-Y1105 HydrophobicContact CG-CG 4.33Å; M938-Y1105 VanDerWaalsContact CG-O 3.3Å; M938-Y1105 WeakPolarHBondContact CG-O 3.33Å; F939-Y1105 VanDerWaalsContact CA-CB 3.45Å; F939-Y1105 HydrophobicContact CD1-CD2 4.49Å; F939-Y1105 HydrophobicContact CD1-CG 4.28Å; F939-Y1105 WeakPolarHBondContact CE2-O 3.36Å; H940-Y1105 HydrophobicContact CB-CD2 4.17Å; H940-Y1105 AromaticContact CD2-CD2 3.33Å; H940-Y1105 WeakPolarHBondContact CD2-CD2 3.26Å; H940-Y1105 AromaticContact CD2-CE2 3.41Å; H940-Y1105 VanDerWaalsContact CD2-CE2 3.41Å; H940-Y1105 WeakPolarHBondContact CD2-CE2 3.19Å; H940-Y1105 AromaticContact CG-CD2 3.86Å; H940-Y1105 AromaticContact NE2-CE2 3.73Å; Y1105-R1107 HydrophobicContact CD1-CB 4.09Å; Y1105-R1107 HydrophobicContact CE1-CB 3.74Å; Y1105-R1107 HydrophobicContact CE1-CG 4.18Å
1106V31.1Very low30.3Very low109 Ų109113.6 Ų113.666%0.66162%0.622SS**  trans-138.9131.9153.6-178.60000110M938M938-V1106 HydrophobicContact CE-CG2 4.41Å; M938-V1106 HydrophobicContact SD-CB 4.29Å; M938-V1106 HydrophobicContact SD-CG1 4.38Å; M938-V1106 HydrophobicContact SD-CG2 4.19Å
1107R27.2Very low30.2Very low186 Ų186116.6 Ų116.670%0.70263%0.631SS**  trans-107.9113.4-178-164.7-173.5-163.9-178.85.8109.5Y1105Y1105-R1107 HydrophobicContact CD1-CB 4.09Å; Y1105-R1107 HydrophobicContact CE1-CB 3.74Å; Y1105-R1107 HydrophobicContact CE1-CG 4.18Å
1108M30.3Very low30.3Very low184 Ų184121.9 Ų121.991%0.90666%0.661SS**  trans-133.8132.4157.1-74.8-165.174.400109.3
1109S28.2Very low30.2Very low113 Ų113119.8 Ų119.879%0.7965%0.653SS**  trans-112.9142.5177.752.20000110.4
1110S33.5Very low30.2Very low181 Ų181123.2 Ų123.2100%1.26668%0.679SS**  trans-138.70156.661.90000108.1

Retrieved 1,110 of 1,110 residues in 1284.2 ms (Link to these results)

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