A0A3Q0KTU0_SCHMA Loading...

Multiple inositol polyphosphate phosphatase 1

AlphaFold DB (A0A5K4EX11), UniProt , Accession A0A3Q0KTU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 509 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
1M52.8Low65.4Low217 Ų217105.7 Ų105.7100%1.06962%0.624SS**  0-39.10-81.9178.9175.300113.7A3 L4M1-A3 PolarHBondContact O-N 2.84Å; M1-L4 PolarHBondContact O-N 2.91Å
2G55.6Low65.7Low62 Ų62100.6 Ų100.664%0.63960%0.602SS**Hα-helixtrans-60.3-38-176.700000116.9L4 F5 S6G2-L4 PolarHBondContact O-N 3.4Å; G2-F5 PolarHBondContact O-N 3.14Å; G2-S6 PolarHBondContact O-N 2.88Å
3A57.9Low65.8Low81 Ų8198.7 Ų98.767%0.66959%0.592SS**Hα-helixtrans-70.8-29.6-17800000114.2M1 S6 A7M1-A3 PolarHBondContact O-N 2.84Å; A3-S6 PolarHBondContact O-OG 2.95Å; A3-A7 PolarHBondContact O-N 3.23Å
4L59.8Low65.5Low138 Ų138101.4 Ų101.472%0.72359%0.592SS**Hα-helixtrans-73.8-32.2176-84.4151.8000111.6M1 G2 F8M1-L4 PolarHBondContact O-N 2.91Å; G2-L4 PolarHBondContact O-N 3.4Å; L4-F8 PolarHBondContact O-N 3.45Å
5F63.8Low65.2Low157 Ų15799.8 Ų99.869%0.68958%0.58SS**Hα-helixtrans-72.9-38.3179.4-152.4-94.2000112.1G2 F8 C9G2-F5 PolarHBondContact O-N 3.14Å; F5-F8 PolarHBondContact O-N 3.04Å; F5-C9 PolarHBondContact O-N 3.01Å
6S70.8Confident64.5Low80 Ų8099.8 Ų99.856%0.55958%0.576SS**Hα-helixtrans-68.5-38.7176.773.20000112.6G2 A3 C9 A10G2-S6 PolarHBondContact O-N 2.88Å; A3-S6 PolarHBondContact O-OG 2.95Å; S6-C9 PolarHBondContact O-N 2.92Å; S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 3.42Å
7A69.6Low63.6Low48 Ų48103.5 Ų103.540%0.39758%0.584SS.*Hα-helixtrans-63.6-42.1175.100000111.5A3 A10 I11A3-A7 PolarHBondContact O-N 3.23Å; A7-A10 PolarHBondContact O-N 3.27Å; A7-I11 WeakPolarHBondContact O-CB 3.36Å; A7-I11 VanDerWaalsContact O-CG1 3.26Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 2.95Å
8F74.4Confident62.7Low156 Ų156102.7 Ų102.768%0.68458%0.577SS**Hα-helixtrans-64.5-42176.5-124.6-86000112.3L4 F5 I11 A12L4-F8 PolarHBondContact O-N 3.45Å; F5-F8 PolarHBondContact O-N 3.04Å; F8-I11 PolarHBondContact O-N 3.32Å; F8-A12 VanDerWaalsContact O-CB 3.23Å; F8-A12 WeakPolarHBondContact O-CB 3.43Å; F8-A12 PolarHBondContact O-N 3.46Å
9C71.6Confident61.9Low68 Ų68106 Ų10646%0.45959%0.585SS.*Hα-helixtrans-64.5-40.6175.1-78.80000112.4F5 S6 A12 T13F5-C9 PolarHBondContact O-N 3.01Å; S6-C9 PolarHBondContact O-N 2.92Å; C9-A12 PolarHBondContact O-N 3.44Å; C9-T13 WeakPolarHBondContact O-CB 3.42Å; C9-T13 PolarHBondContact O-N 2.99Å; C9-T13 PolarHBondContact O-OG1 3.07Å
10A69.9Low60.8Low56 Ų56107 Ų10746%0.46359%0.589SS.*Hα-helixtrans-65.7-42.4177.100000111.9S6 A7 T13 F14S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 3.42Å; A7-A10 PolarHBondContact O-N 3.27Å; A10-T13 WeakPolarHBondContact CA-OG1 3.26Å; A10-T13 PolarHBondContact O-OG1 3.27Å; A10-T13 VanDerWaalsContact O-OG1 3.13Å; A10-F14 WeakPolarHBondContact O-CB 3.43Å; A10-F14 PolarHBondContact O-N 3.23Å
11I73.2Confident59.8Low100 Ų100107.7 Ų107.751%0.51358%0.584SS.*Hα-helixtrans-67.2-42.9175.6-66.4165.3000110.4A7 F8 F14 L15A7-I11 WeakPolarHBondContact O-CB 3.36Å; A7-I11 VanDerWaalsContact O-CG1 3.26Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 2.95Å; F8-I11 PolarHBondContact O-N 3.32Å; I11-F14 PolarHBondContact O-N 2.97Å; I11-L15 HydrophobicContact CG2-CD1 3.7Å; I11-L15 HydrophobicContact CG2-CG 4.11Å; I11-L15 VanDerWaalsContact O-CB 3.27Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.5Å
12A69.3Low59.4Low44 Ų44104.7 Ų104.736%0.36457%0.568SS.*Hα-helixtrans-64.9-40.817800000112.1F8 C9 L16F8-A12 VanDerWaalsContact O-CB 3.23Å; F8-A12 WeakPolarHBondContact O-CB 3.43Å; F8-A12 PolarHBondContact O-N 3.46Å; C9-A12 PolarHBondContact O-N 3.44Å; A12-L16 WeakPolarHBondContact O-CB 3.35Å; A12-L16 WeakPolarHBondContact O-CD1 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 3.39Å
13T66.3Low59.1Low76 Ų76105.6 Ų105.647%0.46656%0.562SS.*Hα-helixtrans-67.9-41.2173.734.60000111.8C9 A10 L16 F17C9-T13 WeakPolarHBondContact O-CB 3.42Å; C9-T13 PolarHBondContact O-N 2.99Å; C9-T13 PolarHBondContact O-OG1 3.07Å; A10-T13 WeakPolarHBondContact CA-OG1 3.26Å; A10-T13 PolarHBondContact O-OG1 3.27Å; A10-T13 VanDerWaalsContact O-OG1 3.13Å; T13-L16 PolarHBondContact O-N 3.01Å; T13-F17 WeakPolarHBondContact O-CB 3.48Å; T13-F17 WeakPolarHBondContact O-CD2 3.39Å; T13-F17 PolarHBondContact O-N 3.48Å
14F62.2Low59.2Low137 Ų137104.7 Ų104.760%0.60154%0.544SS*.Hα-helixtrans-63.7-43.6175.6-174.7-108000112.1A10 I11 F17 I18A10-F14 WeakPolarHBondContact O-CB 3.43Å; A10-F14 PolarHBondContact O-N 3.23Å; I11-F14 PolarHBondContact O-N 2.97Å; F14-F17 PolarHBondContact O-N 2.97Å; F14-I18 HydrophobicContact CD1-CD1 3.62Å; F14-I18 HydrophobicContact CE1-CD1 3.24Å; F14-I18 HydrophobicContact CE1-CG1 4.38Å; F14-I18 HydrophobicContact CE2-CD1 4.29Å; F14-I18 HydrophobicContact CG-CD1 4.31Å; F14-I18 HydrophobicContact CZ-CD1 3.62Å; F14-I18 HydrophobicContact CZ-CG1 4.44Å; F14-I18 WeakPolarHBondContact O-CG1 3.39Å; F14-I18 PolarHBondContact O-N 3.41Å
15L61.4Low59.6Low77 Ų77101.4 Ų101.440%0.40353%0.53SS..Hα-helixtrans-64.8-43.9173.3-71174.2000111I11 F17 I18 F19I11-L15 HydrophobicContact CG2-CD1 3.7Å; I11-L15 HydrophobicContact CG2-CG 4.11Å; I11-L15 VanDerWaalsContact O-CB 3.27Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.5Å; L15-F17 VanDerWaalsContact C-N 3.28Å; L15-F17 PolarHBondContact O-N 3.25Å; L15-I18 PolarHBondContact O-N 2.97Å; L15-F19 HydrophobicContact CB-CD2 4.11Å; L15-F19 HydrophobicContact CB-CE2 4.11Å; L15-F19 HydrophobicContact CD2-CE2 4.08Å; L15-F19 WeakPolarHBondContact O-CB 3.37Å; L15-F19 WeakPolarHBondContact O-CD2 3.35Å; L15-F19 WeakPolarHBondContact O-CG 3.5Å; L15-F19 PolarHBondContact O-N 3.2Å
16L53.1Low60.1Low99 Ų9998.7 Ų98.752%0.51852%0.518SS..Hα-helixtrans-61.4-35.6173.9-76.9165.6000112A12 T13 N20A12-L16 WeakPolarHBondContact O-CB 3.35Å; A12-L16 WeakPolarHBondContact O-CD1 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 3.39Å; T13-L16 PolarHBondContact O-N 3.01Å; L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 VanDerWaalsContact O-CG 3.23Å; L16-N20 PolarHBondContact O-N 3.05Å; L16-N20 PolarHBondContact O-ND2 3.29Å
17F49.4Very low60.7Low164 Ų16496.6 Ų96.672%0.71950%0.499SS*.Hα-helixtrans-68-42.7174-102.1-85.2000111.7T13 F14 L15 Y21T13-F17 WeakPolarHBondContact O-CB 3.48Å; T13-F17 WeakPolarHBondContact O-CD2 3.39Å; T13-F17 PolarHBondContact O-N 3.48Å; F14-F17 PolarHBondContact O-N 2.97Å; L15-F17 VanDerWaalsContact C-N 3.28Å; L15-F17 PolarHBondContact O-N 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.34Å; F17-Y21 PolarHBondContact O-N 2.89Å; F17-Y21 VanDerWaalsContact O-N 3.17Å
18I48.1Very low61.6Low89 Ų8994.5 Ų94.546%0.45648%0.481SS..Hα-helixtrans-66.8-42.5175.8-67.9167.5000111.3F14 L15 Y21F14-I18 HydrophobicContact CD1-CD1 3.62Å; F14-I18 HydrophobicContact CE1-CD1 3.24Å; F14-I18 HydrophobicContact CE1-CG1 4.38Å; F14-I18 HydrophobicContact CE2-CD1 4.29Å; F14-I18 HydrophobicContact CG-CD1 4.31Å; F14-I18 HydrophobicContact CZ-CD1 3.62Å; F14-I18 HydrophobicContact CZ-CG1 4.44Å; F14-I18 WeakPolarHBondContact O-CG1 3.39Å; F14-I18 PolarHBondContact O-N 3.41Å; L15-I18 PolarHBondContact O-N 2.97Å; I18-Y21 PolarHBondContact O-N 3.38Å
19F46.2Very low62.4Low165 Ų16587.2 Ų87.272%0.72445%0.45SS*.Hα-helixtrans-76.4-23.4-178.7-73.5-63.1000113.6L15L15-F19 HydrophobicContact CB-CD2 4.11Å; L15-F19 HydrophobicContact CB-CE2 4.11Å; L15-F19 HydrophobicContact CD2-CE2 4.08Å; L15-F19 WeakPolarHBondContact O-CB 3.37Å; L15-F19 WeakPolarHBondContact O-CD2 3.35Å; L15-F19 WeakPolarHBondContact O-CG 3.5Å; L15-F19 PolarHBondContact O-N 3.2Å
20N40.3Very low63.6Low126 Ų12684 Ų8467%0.67443%0.429SS*.THydrogen-bonded Turntrans-91.5-2.4172.8-70.1-42.4000113.3L16 E22L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 VanDerWaalsContact O-CG 3.23Å; L16-N20 PolarHBondContact O-N 3.05Å; L16-N20 PolarHBondContact O-ND2 3.29Å; N20-E22 PolarHBondContact O-N 2.87Å
21Y41.2Very low64.8Low121 Ų12181.5 Ų81.548%0.47541%0.407SS..  trans-80.197.5173.7-169.7-102.7000109.1F17 I18 P23 D410F17-Y21 WeakPolarHBondContact O-CB 3.34Å; F17-Y21 PolarHBondContact O-N 2.89Å; F17-Y21 VanDerWaalsContact O-N 3.17Å; I18-Y21 PolarHBondContact O-N 3.38Å; Y21-P23 HydrophobicContact CD1-CB 4.42Å; Y21-P23 HydrophobicContact CE1-CB 4.11Å; Y21-P23 WeakPolarHBondContact O-CD 3.33Å; Y21-D410 PolarHBondContact OH-O 3Å
22E42.9Very low66Low155 Ų15576.9 Ų76.972%0.72438%0.384SS*.  trans-78.7102.5163.8-75.1-176.717000108.4N20 K42N20-E22 PolarHBondContact O-N 2.87Å; E22-K42 PolarHBondContact O-NZ 3.44Å
23P48.9Very low67.3Low81 Ų8176.2 Ų76.253%0.52637%0.373SS..PPolyproline II helixtrans-58.2151.9172.526.2-34.7000109.6Y21 T25Y21-P23 HydrophobicContact CD1-CB 4.42Å; Y21-P23 HydrophobicContact CE1-CB 4.11Å; Y21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-T25 PolarHBondContact O-N 3.48Å; P23-T25 VanDerWaalsContact O-N 3.1Å
24E60.9Low68.8Low61 Ų6172.6 Ų72.629%0.28535%0.351SS..PPolyproline II helixtrans-54.9123.1168.7-69.5-149.2149.700109.6R418 Y421E24-R418 IonicContact OE1-NH1 2.59Å; E24-R418 IonicContact OE2-CZ 2.76Å; E24-R418 IonicContact OE2-NH1 3.64Å; E24-R418 PolarHBondContact OE2-NH1 2.04Å; E24-Y421 VanDerWaalsContact CD-OH 3.28Å; E24-Y421 WeakPolarHBondContact OE1-CE1 3.4Å; E24-Y421 VanDerWaalsContact OE1-CZ 3.25Å; E24-Y421 PolarHBondContact OE1-OH 3.44Å; E24-Y421 PolarHBondContact OE2-OH 2.82Å
25T68.5Low70.4Confident69 Ų6966 Ų6642%0.42332%0.322SS..PPolyproline II helixtrans-83.6157.9172.8680000109.3P23 F27 S28P23-T25 PolarHBondContact O-N 3.48Å; P23-T25 VanDerWaalsContact O-N 3.1Å; T25-F27 PolarHBondContact O-N 3.45Å; T25-F27 PolarHBondContact OG1-N 2.88Å; T25-S28 WeakPolarHBondContact O-CB 3.02Å; T25-S28 PolarHBondContact O-N 3.1Å; T25-S28 PolarHBondContact O-OG 3.02Å
26F74.3Confident72Confident101 Ų10163.8 Ų63.844%0.44331%0.308SS..G310 helixtrans-52.4-25.1171.4-61.1-66.4000113.1S28 G29 P300 Y303F26-S28 VanDerWaalsContact C-N 3.32Å; F26-G29 PolarHBondContact O-N 3.46Å; F26-P300 HydrophobicContact CE1-CB 3.54Å; F26-P300 HydrophobicContact CE1-CG 4.11Å; F26-P300 HydrophobicContact CE2-CG 4.24Å; F26-P300 HydrophobicContact CZ-CB 3.55Å; F26-P300 HydrophobicContact CZ-CG 3.64Å; F26-Y303 HydrophobicContact CB-CD1 4.13Å; F26-Y303 HydrophobicContact CB-CD2 3.88Å; F26-Y303 HydrophobicContact CB-CE1 4.26Å; F26-Y303 HydrophobicContact CB-CE2 4.03Å; F26-Y303 HydrophobicContact CB-CG 3.94Å; F26-Y303 AromaticContact CD1-CD2 3.91Å; F26-Y303 HydrophobicContact CD1-CD2 3.91Å; F26-Y303 HydrophobicContact CD1-CG 4.3Å; F26-Y303 AromaticContact CG-CD2 4Å; F26-Y303 HydrophobicContact CG-CD2 4Å; F26-Y303 HydrophobicContact CG-CE2 4.23Å; F26-Y303 HydrophobicContact CG-CG 4.44Å
27F83.6Confident73.9Confident36 Ų3662.7 Ų62.716%0.15830%0.297CS..G310 helixtrans-80.3-9.3-180-52-51.1000114.2T25 G29 L30 F38 V282 L291 C295 Y303T25-F27 PolarHBondContact O-N 3.45Å; T25-F27 PolarHBondContact OG1-N 2.88Å; F27-G29 VanDerWaalsContact C-N 3.27Å; F27-L30 HydrophobicContact CB-CD1 4.31Å; F27-L30 HydrophobicContact CD1-CD1 4.33Å; F27-F38 HydrophobicContact CB-CB 4.44Å; F27-F38 HydrophobicContact CB-CD2 4.13Å; F27-F38 HydrophobicContact CB-CG 4.27Å; F27-V282 HydrophobicContact CB-CG1 3.99Å; F27-V282 HydrophobicContact CD1-CG1 3.97Å; F27-V282 HydrophobicContact CD1-CG2 3.98Å; F27-V282 HydrophobicContact CE1-CG2 4.03Å; F27-V282 HydrophobicContact CG-CG1 3.95Å; F27-L291 HydrophobicContact CE1-CD1 3.78Å; F27-L291 HydrophobicContact CE2-CD1 3.82Å; F27-L291 HydrophobicContact CE2-CD2 4.45Å; F27-L291 HydrophobicContact CZ-CD1 3.24Å; F27-L291 HydrophobicContact CZ-CD2 3.7Å; F27-L291 HydrophobicContact CZ-CG 4.11Å; F27-C295 HydrophobicContact CE1-CB 4.42Å; F27-Y303 HydrophobicContact CE1-CE1 4.4Å
28S88.3Confident76Confident4 Ų457.3 Ų57.33%0.02827%0.274CS..G310 helixtrans-69.5-30.8166750000111.2T25 F26 L30 T34 F38 S420T25-S28 WeakPolarHBondContact O-CB 3.02Å; T25-S28 PolarHBondContact O-N 3.1Å; T25-S28 PolarHBondContact O-OG 3.02Å; F26-S28 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.42Å; S28-T34 WeakPolarHBondContact O-CG2 3.3Å; S28-T34 PolarHBondContact O-OG1 2.89Å; S28-T34 VanDerWaalsContact O-OG1 3.05Å; S28-F38 WeakPolarHBondContact CA-O 3.2Å; S28-F38 VanDerWaalsContact CB-O 3.27Å; S28-F38 WeakPolarHBondContact CB-O 3.39Å; S28-S420 WeakPolarHBondContact O-CB 3.48Å
29G91Very high78.1Confident3 Ų354.3 Ų54.33%0.03126%0.26CS..  trans-93.949.8-173.500000115.7F26 F27 E307F26-G29 PolarHBondContact O-N 3.46Å; F27-G29 VanDerWaalsContact C-N 3.27Å; G29-E307 WeakPolarHBondContact CA-OE1 3.33Å; G29-E307 VanDerWaalsContact CA-OE2 3.27Å; G29-E307 WeakPolarHBondContact CA-OE2 3.22Å; G29-E307 WeakPolarHBondContact O-CB 3.48Å; G29-E307 WeakPolarHBondContact O-CG 3.35Å
30L95.8Very high80.2Confident1 Ų146.9 Ų46.91%0.00523%0.23CC..  trans-11124.2-178.6-58.2171.7000113.3F27 S28 K33 T34 F275 A279 V282 Y303F27-L30 HydrophobicContact CB-CD1 4.31Å; F27-L30 HydrophobicContact CD1-CD1 4.33Å; S28-L30 PolarHBondContact O-N 3.42Å; L30-K33 WeakPolarHBondContact O-CB 3.23Å; L30-K33 PolarHBondContact O-N 2.93Å; L30-T34 WeakPolarHBondContact CA-OG1 3.16Å; L30-T34 WeakPolarHBondContact CB-OG1 3.44Å; L30-T34 PolarHBondContact N-OG1 3.13Å; L30-T34 PolarHBondContact O-N 3.28Å; L30-F275 HydrophobicContact CD2-CD2 4.39Å; L30-F275 HydrophobicContact CD2-CE2 3.68Å; L30-F275 HydrophobicContact CD2-CZ 3.87Å; L30-A279 HydrophobicContact CB-CB 4.02Å; L30-A279 HydrophobicContact CD1-CB 3.98Å; L30-A279 HydrophobicContact CD2-CB 4.09Å; L30-A279 HydrophobicContact CG-CB 4.25Å; L30-V282 HydrophobicContact CD1-CB 4.43Å; L30-V282 HydrophobicContact CD1-CG1 4.15Å; L30-Y303 HydrophobicContact CD2-CD1 3.94Å; L30-Y303 HydrophobicContact CD2-CE1 4.09Å
31S96.4Very high82.6Confident2 Ų241.6 Ų41.61%0.01420%0.202CC..G310 helixtrans49.5-138.6-178.9-168.50000111.6K33 T34 A310 D311 T419 S420S31-K33 PolarHBondContact O-N 2.89Å; S31-T34 PolarHBondContact N-OG1 3.44Å; S31-T34 WeakPolarHBondContact O-CB 3.43Å; S31-T34 PolarHBondContact O-N 3.4Å; S31-T34 VanDerWaalsContact O-N 3.16Å; S31-T34 PolarHBondContact O-OG1 3.08Å; S31-T34 VanDerWaalsContact O-OG1 3.13Å; S31-A310 WeakPolarHBondContact OG-CB 3.47Å; S31-D311 PolarHBondContact OG-OD1 2.92Å; S31-T419 VanDerWaalsContact OG-CB 3.31Å; S31-T419 WeakPolarHBondContact OG-CB 3.35Å; S31-T419 PolarHBondContact OG-OG1 3.1Å; S31-S420 VanDerWaalsContact O-CA 3.29Å; S31-S420 WeakPolarHBondContact O-CA 3.2Å
32S97.4Very high84.8Confident4 Ų440.5 Ų40.53%0.02820%0.199CC..G310 helixtrans-67.35.3177.863.30000115.3R65 H314S32-R65 VanDerWaalsContact O-CZ 3.28Å; S32-R65 PolarHBondContact O-NH1 3.36Å; S32-R65 PolarHBondContact O-NH2 2.92Å; S32-H314 PolarHBondContact OG-CE1 3.46Å; S32-H314 PolarHBondContact OG-NE2 3.05Å
33K97.7Very high87.1Confident29 Ų2935.8 Ų35.813%0.12618%0.184CC..G310 helixtrans-108.70.6175.4-56.2-62.6167.1-70.90112.8L30 S31 A35 L276 A279 Y280 F425L30-K33 WeakPolarHBondContact O-CB 3.23Å; L30-K33 PolarHBondContact O-N 2.93Å; S31-K33 PolarHBondContact O-N 2.89Å; K33-A35 PolarHBondContact O-N 3.26Å; K33-L276 HydrophobicContact CG-CD2 4.25Å; K33-A279 HydrophobicContact CB-CB 3.67Å; K33-Y280 HydrophobicContact CD-CD2 4.42Å; K33-Y280 HydrophobicContact CD-CE1 3.99Å; K33-Y280 HydrophobicContact CD-CE2 3.84Å; K33-Y280 WeakPolarHBondContact CE-OH 3.24Å; K33-Y280 HydrophobicContact CG-CE2 4.49Å; K33-F425 HydrophobicContact CB-CE2 4.32Å; K33-F425 HydrophobicContact CD-CE2 4.05Å; K33-F425 HydrophobicContact CD-CZ 3.73Å
34T97.6Very high89Confident0 Ų034.5 Ų34.50%017%0.169CC..  trans-56.3134.5173.3-63.10000111.9S28 L30 S31 F38 S420 P424 F425S28-T34 WeakPolarHBondContact O-CG2 3.3Å; S28-T34 PolarHBondContact O-OG1 2.89Å; S28-T34 VanDerWaalsContact O-OG1 3.05Å; L30-T34 WeakPolarHBondContact CA-OG1 3.16Å; L30-T34 WeakPolarHBondContact CB-OG1 3.44Å; L30-T34 PolarHBondContact N-OG1 3.13Å; L30-T34 PolarHBondContact O-N 3.28Å; S31-T34 PolarHBondContact N-OG1 3.44Å; S31-T34 WeakPolarHBondContact O-CB 3.43Å; S31-T34 PolarHBondContact O-N 3.4Å; S31-T34 VanDerWaalsContact O-N 3.16Å; S31-T34 PolarHBondContact O-OG1 3.08Å; S31-T34 VanDerWaalsContact O-OG1 3.13Å; T34-F38 HydrophobicContact CG2-CB 4.37Å; T34-S420 WeakPolarHBondContact OG1-CB 3.41Å; T34-P424 HydrophobicContact CG2-CB 4.23Å; T34-P424 VanDerWaalsContact O-CB 3.3Å; T34-P424 WeakPolarHBondContact O-CB 3.48Å; T34-F425 PolarHBondContact O-N 3.43Å
35A95.3Very high90Very high0 Ų039.9 Ų39.90%019%0.194CC..  trans-36126.9156.200000114.6K33 R37 F38 C39 A283K33-A35 PolarHBondContact O-N 3.26Å; A35-R37 PolarHBondContact O-N 3.24Å; A35-F38 HydrophobicContact CB-CD2 4.48Å; A35-F38 CarbonylContact O-C 3.29Å; A35-F38 PolarHBondContact O-N 2.77Å; A35-C39 PolarHBondContact O-N 3.35Å; A35-C39 VanDerWaalsContact O-N 3.09Å; A35-A283 HydrophobicContact CB-CB 3.77Å
36Y96.3Very high90.2Very high30 Ų3037.6 Ų37.612%0.11818%0.179CC..G310 helixtrans-52.5-46.1165.5-168.9-104.1000111.2F38 C39 L126 P424 F425 A426 N428 N455 E456Y36-F38 PolarHBondContact O-N 2.98Å; Y36-C39 VanDerWaalsContact O-CB 3.23Å; Y36-C39 WeakPolarHBondContact O-CB 3.27Å; Y36-C39 PolarHBondContact O-N 3.2Å; Y36-C39 VanDerWaalsContact O-N 3.14Å; Y36-L126 HydrophobicContact CE1-CD2 4.23Å; Y36-P424 HydrophobicContact CD2-CG 4.34Å; Y36-F425 VanDerWaalsContact CB-O 3.29Å; Y36-F425 WeakPolarHBondContact CB-O 3.31Å; Y36-F425 WeakPolarHBondContact CD2-O 3.48Å; Y36-A426 HydrophobicContact CD2-CB 4.14Å; Y36-A426 HydrophobicContact CG-CB 4.26Å; Y36-N428 WeakPolarHBondContact CE2-ND2 3.26Å; Y36-N428 PolarHBondContact OH-ND2 3.45Å; Y36-N455 HydrophobicContact CE2-CB 3.95Å; Y36-E456 PolarHBondContact OH-OE2 3.17Å
37R92.4Very high89.7Confident75 Ų7542.5 Ų42.528%0.28320%0.2SC..G310 helixtrans-66.1-18.3177.871-175.9-172.6-85.23.7114.9A35 R118 V282 A283 M285 D287A35-R37 PolarHBondContact O-N 3.24Å; R37-R118 VanDerWaalsContact CZ-CZ 3.49Å; R37-R118 VanDerWaalsContact NH1-NH2 3.1Å; R37-R118 VanDerWaalsContact NH2-NH2 3.13Å; R37-V282 PolarHBondContact NH2-O 3.33Å; R37-A283 PolarHBondContact NH1-O 3.49Å; R37-M285 PolarHBondContact NH2-O 3.14Å; R37-D287 WeakPolarHBondContact CD-OD1 3.38Å; R37-D287 IonicContact CZ-OD1 3.37Å; R37-D287 IonicContact NE-OD1 3.64Å; R37-D287 PolarHBondContact NE-OD1 2.84Å; R37-D287 VanDerWaalsContact NE-OD1 3.11Å
38F92.8Very high88.5Confident51 Ų5143.3 Ų43.322%0.22421%0.208CC..G310 helixtrans-103.56.3177.7-59.2-43.3000112.3F27 S28 T34 A35 Y36 G40 V282 M285F27-F38 HydrophobicContact CB-CB 4.44Å; F27-F38 HydrophobicContact CB-CD2 4.13Å; F27-F38 HydrophobicContact CB-CG 4.27Å; S28-F38 WeakPolarHBondContact CA-O 3.2Å; S28-F38 VanDerWaalsContact CB-O 3.27Å; S28-F38 WeakPolarHBondContact CB-O 3.39Å; T34-F38 HydrophobicContact CG2-CB 4.37Å; A35-F38 HydrophobicContact CB-CD2 4.48Å; A35-F38 CarbonylContact O-C 3.29Å; A35-F38 PolarHBondContact O-N 2.77Å; Y36-F38 PolarHBondContact O-N 2.98Å; F38-G40 PolarHBondContact O-N 3.5Å; F38-V282 HydrophobicContact CD2-CG1 3.76Å; F38-V282 HydrophobicContact CE2-CG1 3.56Å; F38-M285 HydrophobicContact CE2-CE 4.02Å; F38-M285 HydrophobicContact CZ-CE 4.03Å
39C92.7Very high87.1Confident27 Ų2746.3 Ų46.318%0.18223%0.229CC..  trans-57.4115.1174.4-177.10000110.1A35 Y36 L41 P424A35-C39 PolarHBondContact O-N 3.35Å; A35-C39 VanDerWaalsContact O-N 3.09Å; Y36-C39 VanDerWaalsContact O-CB 3.23Å; Y36-C39 WeakPolarHBondContact O-CB 3.27Å; Y36-C39 PolarHBondContact O-N 3.2Å; Y36-C39 VanDerWaalsContact O-N 3.14Å; C39-L41 PolarHBondContact O-N 3.35Å; C39-P424 HydrophobicContact CB-CG 4.3Å
40G89.2Confident85.5Confident8 Ų851 Ų518%0.08226%0.257CS..  trans-75.8-4.5-177.600000114.7F38 K42F38-G40 PolarHBondContact O-N 3.5Å; G40-K42 PolarHBondContact O-N 2.69Å
41L91.1Very high83.8Confident15 Ų1554.9 Ų54.98%0.07928%0.275CS..PPolyproline II helixtrans-59.2123-177.2-177.764.1000110.9C39 F382 Y421 I454 K457C39-L41 PolarHBondContact O-N 3.35Å; L41-F382 HydrophobicContact CD1-CE1 3.92Å; L41-F382 HydrophobicContact CD1-CZ 3.94Å; L41-F382 HydrophobicContact CD2-CZ 4.12Å; L41-Y421 HydrophobicContact CB-CD1 4.21Å; L41-Y421 HydrophobicContact CB-CG 4.11Å; L41-Y421 HydrophobicContact CD1-CD2 4.06Å; L41-Y421 HydrophobicContact CD1-CG 4.28Å; L41-I454 HydrophobicContact CD2-CB 3.94Å; L41-I454 HydrophobicContact CD2-CG2 3.86Å; L41-I454 WeakPolarHBondContact CD2-O 3.02Å; L41-K457 HydrophobicContact CB-CG 4.47Å; L41-K457 HydrophobicContact CD2-CB 3.97Å; L41-K457 HydrophobicContact CD2-CG 4.18Å; L41-K457 HydrophobicContact CG-CB 4.11Å; L41-K457 HydrophobicContact CG-CG 4.11Å
42K88.7Confident82.5Confident98 Ų9856.2 Ų56.243%0.42628%0.28SS..PPolyproline II helixtrans-96.7150.8173.7-54-60.7-176.7173.50109.9E22 G40 Y44E22-K42 PolarHBondContact O-NZ 3.44Å; G40-K42 PolarHBondContact O-N 2.69Å; K42-Y44 PolarHBondContact O-N 2.77Å
43S90.1Very high81.2Confident57 Ų5764.6 Ų64.640%0.39932%0.316SS..PPolyproline II helixtrans-66.7129.7176.2-73.30000110.5K457 T458S43-K457 WeakPolarHBondContact OG-CD 3.36Å; S43-T458 VanDerWaalsContact CB-OG1 3.3Å; S43-T458 WeakPolarHBondContact CB-OG1 3.34Å
44Y89.1Confident80.6Confident54 Ų5472 Ų7221%0.21234%0.344CS..PPolyproline II helixtrans-75.9123.3168-179-106.8000109.9K42 D46 P414 T458 A460 P475 T478K42-Y44 PolarHBondContact O-N 2.77Å; Y44-D46 HydrophobicContact CE1-CB 4.04Å; Y44-P414 HydrophobicContact CD2-CB 3.91Å; Y44-P414 HydrophobicContact CD2-CG 4.32Å; Y44-P414 HydrophobicContact CE2-CB 4.34Å; Y44-P414 HydrophobicContact CE2-CG 4.29Å; Y44-T458 PolarHBondContact N-O 2.97Å; Y44-T458 PolarHBondContact N-OG1 3.36Å; Y44-T458 WeakPolarHBondContact O-CB 3.41Å; Y44-T458 PolarHBondContact O-OG1 3.24Å; Y44-A460 HydrophobicContact CD1-CB 3.71Å; Y44-A460 HydrophobicContact CD2-CB 4.07Å; Y44-A460 HydrophobicContact CE1-CB 3.71Å; Y44-A460 HydrophobicContact CE2-CB 4.09Å; Y44-A460 HydrophobicContact CG-CB 3.89Å; Y44-P475 HydrophobicContact CE2-CG 4.33Å; Y44-T478 HydrophobicContact CD1-CG2 4.07Å
45E82.1Confident80.4Confident173 Ų17372.7 Ų72.781%0.80835%0.348SS*.  trans-99.9114.8175.5-63.5-172.2173.500109.5
46D73.1Confident80.3Confident21 Ų2175.1 Ų75.111%0.11236%0.363CS..  trans-90.115816768.122.9000110.7Y44 V48 S49 T478Y44-D46 HydrophobicContact CE1-CB 4.04Å; D46-V48 PolarHBondContact O-N 2.84Å; D46-V48 PolarHBondContact OD1-N 3.05Å; D46-V48 VanDerWaalsContact OD1-N 3.14Å; D46-S49 PolarHBondContact OD1-N 3.13Å; D46-T478 HydrophobicContact CB-CG2 4.18Å; D46-T478 WeakPolarHBondContact OD2-CB 3.3Å; D46-T478 WeakPolarHBondContact OD2-CG2 3.18Å; D46-T478 PolarHBondContact OD2-N 3.37Å; D46-T478 PolarHBondContact OD2-OG1 2.88Å
47K62.9Low80.2Confident204 Ų20473.7 Ų73.789%0.88736%0.358SS*.THydrogen-bonded Turntrans-70-11.9173.2-65.8179.9-178.8172.90112.5
48V59.5Low80.4Confident54 Ų5470.1 Ų70.133%0.32734%0.344SS..THydrogen-bonded Turntrans-92.9-10.4-167.6-171.60000112.6D46 V50 Q51D46-V48 PolarHBondContact O-N 2.84Å; D46-V48 PolarHBondContact OD1-N 3.05Å; D46-V48 VanDerWaalsContact OD1-N 3.14Å; V48-V50 PolarHBondContact O-N 2.74Å; V48-Q51 HydrophobicContact CG1-CB 4.49Å; V48-Q51 WeakPolarHBondContact O-CB 3.35Å; V48-Q51 PolarHBondContact O-N 3.35Å
49S57.3Low80.7Confident66 Ų6667.7 Ų67.746%0.46233%0.334SS..G310 helixtrans-49.3-20.4178.9-173.40000115.5D46 Q51 F52D46-S49 PolarHBondContact OD1-N 3.13Å; S49-Q51 PolarHBondContact O-N 3.2Å; S49-F52 PolarHBondContact O-N 3.43Å
50V57.3Low81Confident103 Ų10366.4 Ų66.462%0.62433%0.325SS*.G310 helixtrans-59.6-29.9173.9-173.10000112.7V48 F52 K53V48-V50 PolarHBondContact O-N 2.74Å; V50-F52 PolarHBondContact O-N 2.75Å; V50-K53 PolarHBondContact O-N 3.45Å
51Q60.8Low81.4Confident82 Ų8266 Ų6638%0.38332%0.321SS..G310 helixtrans-62.1-25.9-177.5-165.4172.73000113.1V48 S49 K53 C55 L439V48-Q51 HydrophobicContact CG1-CB 4.49Å; V48-Q51 WeakPolarHBondContact O-CB 3.35Å; V48-Q51 PolarHBondContact O-N 3.35Å; S49-Q51 PolarHBondContact O-N 3.2Å; Q51-K53 PolarHBondContact O-N 3.33Å; Q51-C55 PolarHBondContact O-SG 3.12Å; Q51-L439 HydrophobicContact CG-CD2 4.08Å
52F68.6Low81.8Confident29 Ų2965.3 Ų65.313%0.12732%0.317CS..G310 helixtrans-79.8-9.5-176.6-78.7-81.5000115.3S49 V50 R54 C55 Y434 R449 N479S49-F52 PolarHBondContact O-N 3.43Å; V50-F52 PolarHBondContact O-N 2.75Å; F52-R54 PolarHBondContact O-N 3.45Å; F52-C55 HydrophobicContact CD1-CB 3.91Å; F52-C55 PolarHBondContact O-N 3.02Å; F52-Y434 HydrophobicContact CD1-CD1 4.01Å; F52-Y434 HydrophobicContact CD1-CD2 4.22Å; F52-Y434 HydrophobicContact CD1-CE1 4.36Å; F52-Y434 AromaticContact CD1-CG 3.94Å; F52-Y434 HydrophobicContact CD1-CG 3.94Å; F52-Y434 HydrophobicContact CE1-CD1 4.27Å; F52-Y434 AromaticContact CE1-CD2 3.72Å; F52-Y434 HydrophobicContact CE1-CD2 3.72Å; F52-Y434 HydrophobicContact CE1-CE2 4.27Å; F52-Y434 AromaticContact CE1-CG 3.72Å; F52-Y434 HydrophobicContact CE1-CG 3.72Å; F52-R449 HydrophobicContact CE1-CB 4.43Å; F52-R449 HydrophobicContact CZ-CB 4.43Å; F52-N479 HydrophobicContact CE2-CB 4.1Å; F52-N479 VanDerWaalsContact CE2-ND2 3.33Å; F52-N479 WeakPolarHBondContact CE2-ND2 3.27Å; F52-N479 HydrophobicContact CZ-CB 3.65Å; F52-N479 VanDerWaalsContact CZ-CG 3.42Å
53K71.3Confident82.3Confident180 Ų18060.7 Ų60.778%0.78330%0.297SS*.G310 helixtrans-59.2-23.4-176.6-73.6-173.7177.2-178.60113.8V50 Q51V50-K53 PolarHBondContact O-N 3.45Å; Q51-K53 PolarHBondContact O-N 3.33Å
54R84.2Confident82.7Confident185 Ų18558 Ų5870%0.69828%0.278SS*.G310 helixtrans-113.21.6178.6-61-173.5-176.6171.20.6113.9F52 D438F52-R54 PolarHBondContact O-N 3.45Å; R54-D438 WeakPolarHBondContact CD-OD2 3.29Å; R54-D438 IonicContact CZ-OD2 2.81Å; R54-D438 IonicContact NE-OD2 3.41Å; R54-D438 IonicContact NH1-OD2 2.81Å; R54-D438 PolarHBondContact NH1-OD2 2.86Å
55C92.6Very high83.2Confident14 Ų1455.6 Ų55.610%0.09527%0.269CS..  trans-83.7150.2174.6-58.90000110.1Q51 F52 Y434 Y435 C436Q51-C55 PolarHBondContact O-SG 3.12Å; F52-C55 HydrophobicContact CD1-CB 3.91Å; F52-C55 PolarHBondContact O-N 3.02Å; C55-Y434 HydrophobicContact CB-CD1 4.1Å; C55-Y435 CarbonylContact C-O 3.54Å; C55-Y435 VanDerWaalsContact CA-O 3.27Å; C55-Y435 WeakPolarHBondContact CA-O 3.49Å; C55-C436 HydrophobicContact CB-CB 4.11Å; C55-C436 WeakPolarHBondContact CB-SG 3.36Å; C55-C436 WeakPolarHBondContact SG-CB 3.27Å; C55-C436 CovalentContact SG-SG 2.03Å; C55-C436 PolarHBondContact SG-SG 2.91Å
56T93.3Very high83.9Confident52 Ų5247.5 Ų47.532%0.31923%0.231SC..EExtended strand (participates in β ladder)trans-116.7132.1177.554.40000109.9Q354 Y434 Y435T56-Q354 VanDerWaalsContact CB-NE2 3.28Å; T56-Q354 PolarHBondContact OG1-NE2 3.03Å; T56-Y434 CarbonylContact O-C 3.6Å; T56-Y434 VanDerWaalsContact O-CA 3.29Å; T56-Y434 WeakPolarHBondContact O-CA 3.47Å; T56-Y435 PolarHBondContact N-O 3.22Å; T56-Y435 PolarHBondContact O-N 2.81Å
57L95.5Very high85.1Confident0 Ų046.5 Ų46.50%023%0.226CC..EExtended strand (participates in β ladder)trans-67.7135.6174-174.970.1000108.6V60 L133 H137 F138 L432 Y434L57-V60 HydrophobicContact CD1-CG2 4.35Å; L57-V60 HydrophobicContact CD2-CG2 3.75Å; L57-V60 HydrophobicContact CG-CG2 4.28Å; L57-L133 HydrophobicContact CD2-CG 4.34Å; L57-H137 HydrophobicContact CB-CB 3.79Å; L57-H137 HydrophobicContact CD2-CB 4.22Å; L57-F138 HydrophobicContact CB-CE1 4.37Å; L57-F138 HydrophobicContact CD2-CE1 4.04Å; L57-F138 HydrophobicContact CG-CE1 3.97Å; L57-F138 VanDerWaalsContact O-CD1 3.29Å; L57-F138 WeakPolarHBondContact O-CD1 3.46Å; L57-L432 HydrophobicContact CD1-CB 3.75Å; L57-L432 HydrophobicContact CD1-CD2 4.43Å; L57-Y434 HydrophobicContact CB-CD1 4.13Å; L57-Y434 HydrophobicContact CB-CE1 3.8Å; L57-Y434 HydrophobicContact CD1-CD1 4.4Å; L57-Y434 HydrophobicContact CD1-CD2 4.14Å; L57-Y434 HydrophobicContact CD1-CE1 4.05Å; L57-Y434 HydrophobicContact CD1-CE2 3.77Å; L57-Y434 HydrophobicContact CD1-CG 4.44Å
58V96.9Very high86.7Confident0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-118.6-35.4-176.7-175.10000111.5V343 F347 L359 R361 L433V58-V343 HydrophobicContact CG1-CG1 3.8Å; V58-F347 HydrophobicContact CG1-CB 4.41Å; V58-F347 HydrophobicContact CG1-CD1 4.32Å; V58-F347 HydrophobicContact CG1-CD2 3.86Å; V58-F347 HydrophobicContact CG1-CE2 4.13Å; V58-F347 HydrophobicContact CG1-CG 3.96Å; V58-F347 HydrophobicContact CG1-CZ 4.5Å; V58-F347 HydrophobicContact CG2-CD1 4.32Å; V58-F347 HydrophobicContact CG2-CE1 4.03Å; V58-F347 HydrophobicContact CG2-CZ 4.15Å; V58-L359 HydrophobicContact CG1-CD2 3.7Å; V58-R361 WeakPolarHBondContact O-CD 3.49Å; V58-R361 PolarHBondContact O-NH1 3.34Å; V58-L433 HydrophobicContact CB-CD2 4.47Å; V58-L433 PolarHBondContact N-O 2.79Å
59H98.3Very high88.4Confident0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-151149.1-176.5177.486.9000112.8V343 H360 R361 L433H59-V343 HydrophobicContact CB-CB 4.4Å; H59-V343 HydrophobicContact CB-CG1 3.93Å; H59-V343 HydrophobicContact CB-CG2 4.36Å; H59-H360 AromaticContact CE1-CE1 3.58Å; H59-H360 AromaticContact CE1-ND1 3.82Å; H59-H360 AromaticContact CE1-NE2 3.72Å; H59-H360 PolarHBondContact ND1-O 3Å; H59-R361 WeakPolarHBondContact CA-O 2.99Å; H59-R361 PolarHBondContact ND1-O 2.97Å; H59-L433 HydrophobicContact CB-CB 4.02Å; H59-L433 HydrophobicContact CB-CD2 4.19Å; H59-L433 PolarHBondContact N-O 3.34Å; H59-L433 PolarHBondContact O-N 3.28Å
60V98.7Very high90.1Very high0 Ų032.7 Ų32.70%015%0.152CC..EExtended strand (participates in β ladder)trans-128115.9179.5177.30000110.5L57 V62 F130 M134 R361 G362 S363 L432L57-V60 HydrophobicContact CD1-CG2 4.35Å; L57-V60 HydrophobicContact CD2-CG2 3.75Å; L57-V60 HydrophobicContact CG-CG2 4.28Å; V60-V62 HydrophobicContact CG1-CG2 3.57Å; V60-F130 HydrophobicContact CG1-CD1 4.02Å; V60-F130 HydrophobicContact CG1-CE1 4.29Å; V60-M134 HydrophobicContact CB-CG 4.22Å; V60-M134 HydrophobicContact CB-SD 4.17Å; V60-M134 HydrophobicContact CG2-CG 3.74Å; V60-M134 HydrophobicContact CG2-SD 4.34Å; V60-R361 PolarHBondContact N-O 3.22Å; V60-G362 CarbonylContact O-C 3.58Å; V60-G362 WeakPolarHBondContact O-CA 2.98Å; V60-S363 PolarHBondContact O-N 2.8Å; V60-L432 HydrophobicContact CB-CD2 4.28Å; V60-L432 HydrophobicContact CG1-CD2 3.88Å; V60-L432 HydrophobicContact CG2-CD2 3.88Å
61N98.8Very high92Very high0 Ų027.8 Ų27.80%012%0.122CC..EExtended strand (participates in β ladder)trans-117.1119.9176.3-158-58000109.8I336 Q339 S363 W365 A430 F431N61-I336 HydrophobicContact CB-CG2 4.26Å; N61-Q339 PolarHBondContact ND2-OE1 2.47Å; N61-S363 CarbonylContact C-O 3.55Å; N61-S363 WeakPolarHBondContact CA-O 3.37Å; N61-W365 PolarHBondContact OD1-NE1 3.21Å; N61-A430 CarbonylContact O-C 3.55Å; N61-A430 WeakPolarHBondContact O-CA 3.22Å; N61-F431 HydrophobicContact CB-CB 4.25Å; N61-F431 PolarHBondContact N-O 3.39Å; N61-F431 PolarHBondContact O-N 3.32Å
62V98.9Very high93.6Very high0 Ų026.2 Ų26.20%012%0.116CC..EExtended strand (participates in β ladder)trans-129.8121.8-171.1-166.10000111.1V60 L64 F130 S363 F364 W365 N428 V429 A430V60-V62 HydrophobicContact CG1-CG2 3.57Å; V62-L64 HydrophobicContact CB-CD1 4.02Å; V62-L64 HydrophobicContact CG1-CD1 3.75Å; V62-L64 HydrophobicContact CG1-CD2 4.34Å; V62-L64 HydrophobicContact CG1-CG 3.81Å; V62-L64 WeakPolarHBondContact O-CD1 3.38Å; V62-F130 HydrophobicContact CB-CZ 4.43Å; V62-F130 HydrophobicContact CG1-CE1 4.36Å; V62-F130 HydrophobicContact CG1-CE2 3.99Å; V62-F130 HydrophobicContact CG1-CZ 3.72Å; V62-F130 HydrophobicContact CG2-CD1 3.98Å; V62-F130 HydrophobicContact CG2-CE1 3.58Å; V62-F130 HydrophobicContact CG2-CE2 4.4Å; V62-F130 HydrophobicContact CG2-CZ 3.82Å; V62-S363 PolarHBondContact N-O 3.19Å; V62-F364 HydrophobicContact CB-CD1 3.81Å; V62-F364 HydrophobicContact CB-CE1 4.1Å; V62-F364 HydrophobicContact CG2-CD1 3.86Å; V62-F364 HydrophobicContact CG2-CE1 3.61Å; V62-F364 CarbonylContact O-C 3.56Å; V62-F364 WeakPolarHBondContact O-CA 3.41Å; V62-W365 PolarHBondContact O-N 3.48Å; V62-N428 HydrophobicContact CG1-CB 4.12Å; V62-V429 CarbonylContact C-O 3.55Å; V62-V429 WeakPolarHBondContact CA-O 3.5Å; V62-A430 HydrophobicContact CG1-CB 4.2Å; V62-A430 HydrophobicContact CG2-CB 4.04Å
63L98.8Very high94.9Very high0 Ų028.3 Ų28.30%014%0.135CC..EExtended strand (participates in β ladder)trans-93.5125.1167.2-178.865.2000109.2L216 L332 W365 T371 I372 I375 N428 V429L63-L216 HydrophobicContact CD1-CD2 3.79Å; L63-L332 HydrophobicContact CD1-CD2 4.04Å; L63-L332 HydrophobicContact CD2-CD2 4.04Å; L63-W365 HydrophobicContact CD1-CB 3.68Å; L63-T371 HydrophobicContact CD1-CG2 3.97Å; L63-T371 HydrophobicContact CD2-CG2 4.09Å; L63-I372 HydrophobicContact CB-CD1 4.21Å; L63-I372 HydrophobicContact CD2-CD1 3.79Å; L63-I372 HydrophobicContact CG-CD1 3.58Å; L63-I372 WeakPolarHBondContact O-CD1 3.17Å; L63-I375 HydrophobicContact CD2-CB 4.16Å; L63-I375 HydrophobicContact CD2-CG1 3.83Å; L63-I375 HydrophobicContact CD2-CG2 4.33Å; L63-N428 CarbonylContact O-C 3.51Å; L63-N428 WeakPolarHBondContact O-CA 3.14Å; L63-N428 WeakPolarHBondContact O-CB 3.41Å; L63-V429 PolarHBondContact N-O 2.94Å; L63-V429 PolarHBondContact O-N 3.49Å
64L98.9Very high96.1Very high0 Ų027.6 Ų27.60%013%0.132CC..EExtended strand (participates in β ladder)trans-121.9135.8-177.6-57.1102.9000110.9V62 L126 F162 F364 W365 F366 G367 N428V62-L64 HydrophobicContact CB-CD1 4.02Å; V62-L64 HydrophobicContact CG1-CD1 3.75Å; V62-L64 HydrophobicContact CG1-CD2 4.34Å; V62-L64 HydrophobicContact CG1-CG 3.81Å; V62-L64 WeakPolarHBondContact O-CD1 3.38Å; L64-L126 HydrophobicContact CD2-CD1 4.14Å; L64-F162 HydrophobicContact CD2-CD2 3.93Å; L64-F162 HydrophobicContact CD2-CE2 3.82Å; L64-F364 HydrophobicContact CD1-CB 4.31Å; L64-F364 HydrophobicContact CD1-CD1 4.26Å; L64-W365 PolarHBondContact N-O 2.89Å; L64-F366 HydrophobicContact CB-CD1 3.99Å; L64-F366 HydrophobicContact CB-CE1 4.15Å; L64-F366 HydrophobicContact CD1-CD1 4.28Å; L64-F366 HydrophobicContact CD1-CE1 3.81Å; L64-F366 HydrophobicContact CD1-CZ 4.07Å; L64-F366 HydrophobicContact CD2-CE1 4.29Å; L64-F366 HydrophobicContact CG-CE1 4.3Å; L64-F366 CarbonylContact O-C 3.33Å; L64-F366 WeakPolarHBondContact O-CA 3.26Å; L64-G367 PolarHBondContact O-N 2.98Å; L64-N428 HydrophobicContact CD2-CB 4.23Å; L64-N428 HydrophobicContact CG-CB 4.07Å
65R98.7Very high96.7Very high4 Ų419.9 Ų19.92%0.01511%0.106CC..EExtended strand (participates in β ladder)trans-74.9146.7163.5-175.5-173.3167-163.4-5.1109.3S32 H123 I372 A423 P424 F425 A426 G427S32-R65 VanDerWaalsContact O-CZ 3.28Å; S32-R65 PolarHBondContact O-NH1 3.36Å; S32-R65 PolarHBondContact O-NH2 2.92Å; R65-H123 PolarHBondContact O-CE1 3.34Å; R65-H123 PolarHBondContact O-NE2 3.45Å; R65-I372 HydrophobicContact CB-CG1 4.13Å; R65-A423 PolarHBondContact NH1-O 3.11Å; R65-P424 VanDerWaalsContact CD-O 3.24Å; R65-P424 WeakPolarHBondContact CD-O 3.42Å; R65-P424 PolarHBondContact NH1-O 3.32Å; R65-F425 VanDerWaalsContact NH1-N 3.18Å; R65-A426 WeakPolarHBondContact O-CA 3.04Å; R65-G427 WeakPolarHBondContact CB-O 3.45Å; R65-G427 PolarHBondContact N-O 2.91Å
66H98.3Very high96.9Very high4 Ų420 Ų202%0.01911%0.106CC..  trans-49.1151.3166.369.971.1000112.7R69 R154 S158 G367 H368 A426H66-R69 VanDerWaalsContact CE1-CD 3.4Å; H66-R69 WeakPolarHBondContact CE1-CD 3.28Å; H66-R69 PolarHBondContact CE1-NE 3.28Å; H66-R69 VanDerWaalsContact CE1-NE 3.32Å; H66-R154 HydrophobicContact CB-CG 4.33Å; H66-R154 PolarHBondContact CD2-NE 3.12Å; H66-R154 PolarHBondContact NE2-NE 3.29Å; H66-R154 VanDerWaalsContact NE2-NE 3.17Å; H66-S158 WeakPolarHBondContact CA-OG 3.24Å; H66-G367 PolarHBondContact N-O 3.15Å; H66-H368 AromaticContact CD2-ND1 3.76Å; H66-A426 PolarHBondContact O-N 2.93Å; H66-A426 VanDerWaalsContact O-N 3.1Å
67G97.9Very high97Very high0 Ų023.7 Ų23.70%012%0.117CC..  trans-70.9-173.9179.800000113.8R69 E122 H123 S158 F425G67-R69 PolarHBondContact O-N 3.06Å; G67-E122 VanDerWaalsContact CA-OE2 3.32Å; G67-E122 WeakPolarHBondContact CA-OE2 3.44Å; G67-H123 PolarHBondContact N-CD2 2.84Å; G67-H123 PolarHBondContact N-NE2 2.96Å; G67-S158 PolarHBondContact N-OG 3.12Å; G67-F425 WeakPolarHBondContact O-CD1 3.42Å
68T96.3Very high97.2Very high0 Ų025.9 Ų25.90%013%0.132CC..SBendtrans-54.2129.4174.4-70.80000110.6L115 L116 R118 G119 E122 A283 A284 F425T68-L115 WeakPolarHBondContact O-CD1 3.26Å; T68-L116 HydrophobicContact CG2-CB 4.42Å; T68-L116 HydrophobicContact CG2-CD1 4.16Å; T68-L116 PolarHBondContact O-N 3.06Å; T68-R118 HydrophobicContact CG2-CB 4.3Å; T68-G119 WeakPolarHBondContact O-CA 3.43Å; T68-E122 PolarHBondContact N-OE2 3.05Å; T68-E122 PolarHBondContact OG1-OE1 3.01Å; T68-E122 PolarHBondContact OG1-OE2 2.61Å; T68-A283 HydrophobicContact CG2-CB 3.98Å; T68-A284 HydrophobicContact CG2-CB 4.44Å; T68-F425 VanDerWaalsContact OG1-CB 3.3Å; T68-F425 WeakPolarHBondContact OG1-CB 3.43Å
69R94.6Very high97.2Very high34 Ų3426 Ų2613%0.12813%0.133CC..BIsolated β-bridgetrans-137.4160.9-172.364.1164.818080.3-5.2111.9H66 G67 E114 L116 Y280 F425H66-R69 VanDerWaalsContact CE1-CD 3.4Å; H66-R69 WeakPolarHBondContact CE1-CD 3.28Å; H66-R69 PolarHBondContact CE1-NE 3.28Å; H66-R69 VanDerWaalsContact CE1-NE 3.32Å; G67-R69 PolarHBondContact O-N 3.06Å; R69-E114 CarbonylContact C-O 3.3Å; R69-E114 WeakPolarHBondContact CA-O 3.34Å; R69-E114 WeakPolarHBondContact CB-O 3.34Å; R69-L116 VanDerWaalsContact C-CD1 3.48Å; R69-Y280 PolarHBondContact NH1-OH 3.48Å; R69-Y280 WeakPolarHBondContact O-CE1 3.14Å; R69-F425 HydrophobicContact CG-CE1 3.77Å; R69-F425 HydrophobicContact CG-CZ 4.36Å
70A94.5Very high97.1Very high0 Ų027.7 Ų27.70%014%0.143CC..  trans-63.6152.3170.900000110.8A110 A111 K113 E114 L116A70-A110 HydrophobicContact CB-CB 4.14Å; A70-A111 VanDerWaalsContact CB-O 3.26Å; A70-A111 WeakPolarHBondContact CB-O 3.32Å; A70-K113 WeakPolarHBondContact O-CA 3.36Å; A70-E114 PolarHBondContact N-O 3.01Å; A70-L116 HydrophobicContact CB-CD2 4.14Å; A70-L116 HydrophobicContact CB-CG 4.42Å
71P95.8Very high97.1Very high0 Ų031.4 Ų31.40%016%0.163CC..  trans-64.1174.9171.1-1122.3000112.6I76 F79 F107 K113 Y280P71-I76 HydrophobicContact CB-CG1 4.08Å; P71-I76 HydrophobicContact CG-CG1 4.15Å; P71-F79 HydrophobicContact CB-CE2 4.29Å; P71-F79 HydrophobicContact CG-CE2 3.8Å; P71-F107 VanDerWaalsContact CD-CD2 3.47Å; P71-F107 VanDerWaalsContact CD-CG 3.42Å; P71-F107 HydrophobicContact CG-CB 4.39Å; P71-F107 HydrophobicContact CG-CD2 3.5Å; P71-F107 VanDerWaalsContact CG-CD2 3.5Å; P71-F107 HydrophobicContact CG-CE2 4.04Å; P71-F107 HydrophobicContact CG-CG 3.98Å; P71-K113 PolarHBondContact O-N 3.43Å; P71-Y280 HydrophobicContact CB-CD1 4.49Å; P71-Y280 HydrophobicContact CB-CD2 4.21Å; P71-Y280 HydrophobicContact CB-CE1 4.15Å; P71-Y280 HydrophobicContact CB-CE2 3.89Å; P71-Y280 HydrophobicContact CG-CD1 3.86Å; P71-Y280 HydrophobicContact CG-CD2 3.88Å; P71-Y280 HydrophobicContact CG-CE1 4Å; P71-Y280 HydrophobicContact CG-CE2 4.05Å; P71-Y280 HydrophobicContact CG-CG 3.8Å
72D95.4Very high97.1Very high48 Ų4831.4 Ų31.426%0.25716%0.163SC..  trans-79.8163.7166.667.262.1000112K74 S75 I76 K113D72-K74 PolarHBondContact O-N 3.25Å; D72-K74 WeakPolarHBondContact OD1-CA 3.3Å; D72-K74 WeakPolarHBondContact OD1-CB 3.41Å; D72-K74 PolarHBondContact OD1-N 3.19Å; D72-S75 PolarHBondContact O-N 2.81Å; D72-S75 VanDerWaalsContact O-N 3.14Å; D72-S75 PolarHBondContact OD1-N 3.16Å; D72-I76 PolarHBondContact O-N 3.29Å; D72-K113 HydrophobicContact CB-CD 4.28Å; D72-K113 HydrophobicContact CB-CG 4.02Å
73S95.3Very high97Very high74 Ų7431.8 Ų31.852%0.51717%0.165SC..Hα-helixtrans-61.9-28.9-175.954.10000113.4K77 V112S73-K77 WeakPolarHBondContact O-CB 3.37Å; S73-K77 PolarHBondContact O-N 2.86Å; S73-V112 VanDerWaalsContact N-CG1 3.35Å
74K96.9Very high96.9Very high165 Ų16536 Ų3672%0.71719%0.185SC*.Hα-helixtrans-69.6-43.8176.7-61.2-179.4-179.2179.10110D72 K77 S78D72-K74 PolarHBondContact O-N 3.25Å; D72-K74 WeakPolarHBondContact OD1-CA 3.3Å; D72-K74 WeakPolarHBondContact OD1-CB 3.41Å; D72-K74 PolarHBondContact OD1-N 3.19Å; K74-K77 PolarHBondContact O-N 3.45Å; K74-S78 PolarHBondContact O-N 3.05Å; K74-S78 PolarHBondContact O-OG 3.2Å
75S96.7Very high96.9Very high22 Ų2239.5 Ų39.515%0.15420%0.198CC..Hα-helixtrans-61-46.7174.2-61.20000112.4D72 K77 S78 F79D72-S75 PolarHBondContact O-N 2.81Å; D72-S75 VanDerWaalsContact O-N 3.14Å; D72-S75 PolarHBondContact OD1-N 3.16Å; S75-K77 VanDerWaalsContact C-N 3.29Å; S75-K77 PolarHBondContact O-N 2.8Å; S75-S78 WeakPolarHBondContact O-CB 3.19Å; S75-S78 PolarHBondContact O-N 3.02Å; S75-S78 VanDerWaalsContact O-N 3.12Å; S75-F79 VanDerWaalsContact O-CD1 3.32Å; S75-F79 WeakPolarHBondContact O-CD1 3.44Å; S75-F79 WeakPolarHBondContact O-CD2 3.41Å; S75-F79 WeakPolarHBondContact O-CG 3.27Å; S75-F79 PolarHBondContact O-N 3.2Å
76I96.2Very high96.8Very high18 Ų1839.3 Ų39.39%0.09220%0.197CC..Hα-helixtrans-60.8-41.2178.8-63.6169.2000110.9P71 D72 F79 T80 F107 V112P71-I76 HydrophobicContact CB-CG1 4.08Å; P71-I76 HydrophobicContact CG-CG1 4.15Å; D72-I76 PolarHBondContact O-N 3.29Å; I76-F79 PolarHBondContact O-N 2.74Å; I76-T80 PolarHBondContact O-N 3.12Å; I76-T80 PolarHBondContact O-OG1 2.06Å; I76-F107 HydrophobicContact CD1-CB 4.13Å; I76-F107 HydrophobicContact CG1-CB 4.25Å; I76-V112 HydrophobicContact CD1-CG2 4.12Å
77K96.8Very high96.8Very high129 Ų12943.2 Ų43.256%0.56121%0.214SC*.Hα-helixtrans-60.8-47.4173.5-177.1176178.5178.20111.6S73 K74 S75 F79 T80 D81S73-K77 WeakPolarHBondContact O-CB 3.37Å; S73-K77 PolarHBondContact O-N 2.86Å; K74-K77 PolarHBondContact O-N 3.45Å; S75-K77 VanDerWaalsContact C-N 3.29Å; S75-K77 PolarHBondContact O-N 2.8Å; K77-F79 VanDerWaalsContact C-N 3.27Å; K77-F79 PolarHBondContact O-N 2.82Å; K77-T80 WeakPolarHBondContact O-CB 3.49Å; K77-T80 PolarHBondContact O-N 3.22Å; K77-T80 VanDerWaalsContact O-N 3.07Å; K77-D81 WeakPolarHBondContact CE-OD2 3.42Å; K77-D81 PolarHBondContact O-N 2.84Å
78S97.9Very high96.8Very high46 Ų4648.9 Ų48.932%0.32224%0.24SC..Hα-helixtrans-58.9-36.8176.6-64.30000112.9K74 S75 L82K74-S78 PolarHBondContact O-N 3.05Å; K74-S78 PolarHBondContact O-OG 3.2Å; S75-S78 WeakPolarHBondContact O-CB 3.19Å; S75-S78 PolarHBondContact O-N 3.02Å; S75-S78 VanDerWaalsContact O-N 3.12Å; S78-L82 VanDerWaalsContact O-CB 3.26Å; S78-L82 WeakPolarHBondContact O-CB 3.49Å; S78-L82 PolarHBondContact O-N 3.28Å
79F97.8Very high96.9Very high1 Ų149.3 Ų49.30%0.00424%0.244CC..Hα-helixtrans-64.1-43.9173.7-54.5-25.6000111.5P71 S75 I76 K77 H83 P106 F107 T273 L276 A277 Y280 W294P71-F79 HydrophobicContact CB-CE2 4.29Å; P71-F79 HydrophobicContact CG-CE2 3.8Å; S75-F79 VanDerWaalsContact O-CD1 3.32Å; S75-F79 WeakPolarHBondContact O-CD1 3.44Å; S75-F79 WeakPolarHBondContact O-CD2 3.41Å; S75-F79 WeakPolarHBondContact O-CG 3.27Å; S75-F79 PolarHBondContact O-N 3.2Å; I76-F79 PolarHBondContact O-N 2.74Å; K77-F79 VanDerWaalsContact C-N 3.27Å; K77-F79 PolarHBondContact O-N 2.82Å; F79-H83 WeakPolarHBondContact O-CB 3.38Å; F79-H83 PolarHBondContact O-N 3.48Å; F79-P106 HydrophobicContact CB-CG 4.39Å; F79-P106 HydrophobicContact CD2-CB 3.94Å; F79-P106 HydrophobicContact CD2-CG 4.18Å; F79-P106 HydrophobicContact CE2-CB 4.43Å; F79-P106 HydrophobicContact CG-CG 4.47Å; F79-F107 HydrophobicContact CE2-CD2 4.48Å; F79-T273 HydrophobicContact CD1-CG2 3.58Å; F79-T273 HydrophobicContact CE1-CG2 4Å; F79-T273 WeakPolarHBondContact CE1-O 3.22Å; F79-L276 HydrophobicContact CE1-CB 4.09Å; F79-L276 HydrophobicContact CZ-CB 4.18Å; F79-A277 HydrophobicContact CD1-CB 3.78Å; F79-A277 HydrophobicContact CE1-CB 3.77Å; F79-A277 HydrophobicContact CG-CB 4.22Å; F79-A277 HydrophobicContact CZ-CB 4.16Å; F79-Y280 HydrophobicContact CZ-CD2 4.27Å; F79-W294 WeakPolarHBondContact O-CH2 3.44Å
80T97Very high97Very high36 Ų3651.6 Ų51.622%0.22125%0.253CS..Hα-helixtrans-62.7-53.3178.2-50.60000111.2I76 K77 L82 H83 E84 I105I76-T80 PolarHBondContact O-N 3.12Å; I76-T80 PolarHBondContact O-OG1 2.06Å; K77-T80 WeakPolarHBondContact O-CB 3.49Å; K77-T80 PolarHBondContact O-N 3.22Å; K77-T80 VanDerWaalsContact O-N 3.07Å; T80-L82 VanDerWaalsContact C-N 3.28Å; T80-L82 PolarHBondContact O-N 2.85Å; T80-H83 PolarHBondContact O-N 3.41Å; T80-E84 PolarHBondContact O-N 3.05Å; T80-E84 VanDerWaalsContact O-N 3.14Å; T80-I105 WeakPolarHBondContact OG1-CG2 3.42Å
81D97.6Very high97.2Very high78 Ų7857.1 Ų57.142%0.41728%0.283SS..Hα-helixtrans-61.7-37.2-177.3-65-11.6000111.4K77 R85K77-D81 WeakPolarHBondContact CE-OD2 3.42Å; K77-D81 PolarHBondContact O-N 2.84Å; D81-R85 PolarHBondContact O-N 2.96Å
82L98Very high97.2Very high0 Ų061.9 Ų61.90%032%0.316CS..Hα-helixtrans-72.7-39.1176.9-178.156.6000112.6S78 T80 E84 R85 L86 Y266 D270 T273 I274 W294S78-L82 VanDerWaalsContact O-CB 3.26Å; S78-L82 WeakPolarHBondContact O-CB 3.49Å; S78-L82 PolarHBondContact O-N 3.28Å; T80-L82 VanDerWaalsContact C-N 3.28Å; T80-L82 PolarHBondContact O-N 2.85Å; L82-E84 PolarHBondContact O-N 3.34Å; L82-R85 PolarHBondContact O-N 3.41Å; L82-L86 HydrophobicContact CD1-CD1 4.21Å; L82-L86 HydrophobicContact CD1-CG 4.18Å; L82-L86 HydrophobicContact CG-CD1 3.93Å; L82-L86 HydrophobicContact CG-CG 4.39Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 3.32Å; L82-Y266 HydrophobicContact CD1-CD1 4.06Å; L82-Y266 HydrophobicContact CD1-CE1 3.84Å; L82-D270 HydrophobicContact CD1-CB 3.94Å; L82-D270 HydrophobicContact CD2-CB 4.07Å; L82-D270 WeakPolarHBondContact CD2-O 3.45Å; L82-T273 HydrophobicContact CB-CG2 4.44Å; L82-T273 HydrophobicContact CD2-CG2 3.86Å; L82-I274 HydrophobicContact CD2-CD1 4.2Å; L82-I274 HydrophobicContact CD2-CG1 3.65Å; L82-W294 HydrophobicContact CD2-CZ3 4.16Å; L82-W294 HydrophobicContact CG-CZ3 4.33Å
83H97.6Very high97.3Very high9 Ų962.7 Ų62.74%0.04234%0.336CS..Hα-helixtrans-59.3-45.7176.8-174-86.5000111.6F79 T80 R85 L86 K87 L100 I105 W294F79-H83 WeakPolarHBondContact O-CB 3.38Å; F79-H83 PolarHBondContact O-N 3.48Å; T80-H83 PolarHBondContact O-N 3.41Å; H83-R85 PolarHBondContact O-N 3.38Å; H83-L86 PolarHBondContact O-N 3.33Å; H83-K87 WeakPolarHBondContact O-CB 3.12Å; H83-K87 PolarHBondContact O-N 2.88Å; H83-L100 PolarHBondContact NE2-O 2.86Å; H83-I105 HydrophobicContact CB-CD1 3.37Å; H83-I105 WeakPolarHBondContact ND1-CD1 3.18Å; H83-W294 HydrophobicContact CB-CH2 3.94Å; H83-W294 HydrophobicContact CB-CZ2 4.09Å; H83-W294 AromaticContact CD2-CZ2 3.97Å
84E97.2Very high97.4Very high88 Ų8859.7 Ų59.741%0.41132%0.315SS..Hα-helixtrans-62-44.2178.1-67-58.4153.400112T80 L82 L86 K87 E88T80-E84 PolarHBondContact O-N 3.05Å; T80-E84 VanDerWaalsContact O-N 3.14Å; L82-E84 PolarHBondContact O-N 3.34Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.81Å; E84-K87 WeakPolarHBondContact O-CB 3.46Å; E84-K87 PolarHBondContact O-N 3.09Å; E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.13Å
85R97.7Very high97.5Very high73 Ų7355.5 Ų55.528%0.27530%0.304SS..Hα-helixtrans-63.3-37.3175.4-70.1-174.8-59.6-159.14.2112.9D81 L82 H83 K87 E88 S89 Y266 D270D81-R85 PolarHBondContact O-N 2.96Å; L82-R85 PolarHBondContact O-N 3.41Å; H83-R85 PolarHBondContact O-N 3.38Å; R85-K87 VanDerWaalsContact C-N 3.34Å; R85-E88 PolarHBondContact O-N 3.32Å; R85-S89 PolarHBondContact O-N 3.41Å; R85-S89 PolarHBondContact O-OG 3.27Å; R85-Y266 HydrophobicContact CB-CE1 4.41Å; R85-Y266 PolarHBondContact O-OH 2.9Å; R85-D270 IonicContact CZ-OD1 2.72Å; R85-D270 IonicContact NH2-OD1 3.3Å; R85-D270 PolarHBondContact NH2-OD1 2.71Å; R85-D270 IonicContact NH2-OD2 3.19Å
86L98.2Very high97.5Very high0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-66.7-36.9175.2-71.5168.1000111.7L82 H83 E84 S89 Y90 I96 L100 F255 L261 Y266 W294 L297L82-L86 HydrophobicContact CD1-CD1 4.21Å; L82-L86 HydrophobicContact CD1-CG 4.18Å; L82-L86 HydrophobicContact CG-CD1 3.93Å; L82-L86 HydrophobicContact CG-CG 4.39Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 3.32Å; H83-L86 PolarHBondContact O-N 3.33Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.81Å; L86-S89 PolarHBondContact O-N 3.01Å; L86-Y90 PolarHBondContact O-N 3.36Å; L86-I96 HydrophobicContact CD2-CD1 3.85Å; L86-L100 HydrophobicContact CD1-CD2 3.96Å; L86-F255 HydrophobicContact CD2-CZ 4.08Å; L86-L261 HydrophobicContact CD2-CD1 4.48Å; L86-Y266 WeakPolarHBondContact CA-OH 3.48Å; L86-Y266 HydrophobicContact CD2-CE1 3.87Å; L86-Y266 HydrophobicContact CG-CE1 4.29Å; L86-W294 HydrophobicContact CD1-CZ3 4.27Å; L86-L297 HydrophobicContact CD1-CD1 3.82Å
87K97.3Very high97.5Very high86 Ų8655.6 Ų55.637%0.37431%0.305SS..Hα-helixtrans-65.8-42.5174.1-174.6179.1178.3-176.50112.4H83 E84 R85 S89 Y90 N91 L101H83-K87 WeakPolarHBondContact O-CB 3.12Å; H83-K87 PolarHBondContact O-N 2.88Å; E84-K87 WeakPolarHBondContact O-CB 3.46Å; E84-K87 PolarHBondContact O-N 3.09Å; R85-K87 VanDerWaalsContact C-N 3.34Å; K87-S89 VanDerWaalsContact C-N 3.31Å; K87-S89 PolarHBondContact O-N 3.07Å; K87-Y90 PolarHBondContact O-N 2.96Å; K87-N91 VanDerWaalsContact O-CG 3.23Å; K87-N91 PolarHBondContact O-N 3.3Å; K87-N91 PolarHBondContact O-ND2 2.92Å; K87-L101 HydrophobicContact CB-CD2 4.01Å; K87-L101 HydrophobicContact CG-CD2 4.35Å
88E97.7Very high97.4Very high119 Ų11956.8 Ų56.856%0.55631%0.307SS*.Hα-helixtrans-59.3-42.7172.7-72175.4177.200112E84 R85 N91 S92E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.13Å; R85-E88 PolarHBondContact O-N 3.32Å; E88-N91 PolarHBondContact O-N 2.76Å; E88-S92 PolarHBondContact O-N 3.41Å; E88-S92 VanDerWaalsContact O-N 3.09Å; E88-S92 PolarHBondContact O-OG 3.28Å
89S98.3Very high97.2Very high10 Ų1059.1 Ų59.17%0.0731%0.312CS..Hα-helixtrans-66.5-42.1177-64.10000112R85 L86 K87 N91 S92 G93 S94 Y266R85-S89 PolarHBondContact O-N 3.41Å; R85-S89 PolarHBondContact O-OG 3.27Å; L86-S89 PolarHBondContact O-N 3.01Å; K87-S89 VanDerWaalsContact C-N 3.31Å; K87-S89 PolarHBondContact O-N 3.07Å; S89-N91 PolarHBondContact O-N 2.84Å; S89-S92 CarbonylContact O-C 3.04Å; S89-S92 WeakPolarHBondContact O-CA 2.79Å; S89-S92 WeakPolarHBondContact O-CB 3.48Å; S89-S92 PolarHBondContact O-N 2.9Å; S89-G93 PolarHBondContact O-N 2.92Å; S89-S94 VanDerWaalsContact O-CB 3.23Å; S89-S94 WeakPolarHBondContact O-CB 3.39Å; S89-S94 PolarHBondContact O-N 3.06Å; S89-S94 PolarHBondContact O-OG 3.42Å; S89-Y266 PolarHBondContact OG-OH 2.94Å
90Y98Very high97.1Very high81 Ų8159.1 Ų59.132%0.31831%0.312SS..Hα-helixtrans-57.4-47.2172.7176.4-95.1000112.2L86 K87 S92 G93 I96 Y98 L101L86-Y90 PolarHBondContact O-N 3.36Å; K87-Y90 PolarHBondContact O-N 2.96Å; Y90-S92 PolarHBondContact O-N 3.43Å; Y90-S92 VanDerWaalsContact O-N 3.16Å; Y90-G93 PolarHBondContact O-N 2.91Å; Y90-I96 HydrophobicContact CD2-CB 4.11Å; Y90-I96 WeakPolarHBondContact CD2-O 3.41Å; Y90-Y98 AromaticContact CZ-CD2 3.97Å; Y90-Y98 WeakPolarHBondContact OH-CD2 3.39Å; Y90-L101 HydrophobicContact CD1-CD1 3.25Å; Y90-L101 HydrophobicContact CD2-CD1 3.41Å; Y90-L101 VanDerWaalsContact CD2-CD1 3.41Å; Y90-L101 HydrophobicContact CE1-CD1 3.58Å; Y90-L101 HydrophobicContact CE2-CD1 3.7Å; Y90-L101 HydrophobicContact CG-CD1 3.14Å; Y90-L101 HydrophobicContact CG-CG 4.4Å
91N97.4Very high97Very high117 Ų11758.6 Ų58.663%0.62631%0.307SS*.Hα-helixtrans-62.2-22.9177.1-67.9-21.3000112.5K87 E88 S89 G93K87-N91 VanDerWaalsContact O-CG 3.23Å; K87-N91 PolarHBondContact O-N 3.3Å; K87-N91 PolarHBondContact O-ND2 2.92Å; E88-N91 PolarHBondContact O-N 2.76Å; S89-N91 PolarHBondContact O-N 2.84Å; N91-G93 VanDerWaalsContact C-N 3.33Å
92S96.9Very high96.7Very high99 Ų9958.9 Ų58.969%0.69231%0.312SS*.THydrogen-bonded Turntrans-88.54.9174.6-54.10000113.6E88 S89 Y90E88-S92 PolarHBondContact O-N 3.41Å; E88-S92 VanDerWaalsContact O-N 3.09Å; E88-S92 PolarHBondContact O-OG 3.28Å; S89-S92 CarbonylContact O-C 3.04Å; S89-S92 WeakPolarHBondContact O-CA 2.79Å; S89-S92 WeakPolarHBondContact O-CB 3.48Å; S89-S92 PolarHBondContact O-N 2.9Å; Y90-S92 PolarHBondContact O-N 3.43Å; Y90-S92 VanDerWaalsContact O-N 3.16Å
93G97.1Very high96.5Very high66 Ų6661 Ų6168%0.6832%0.322SS*.THydrogen-bonded Turntrans99.53.6176.500000115.7S89 Y90 N91S89-G93 PolarHBondContact O-N 2.92Å; Y90-G93 PolarHBondContact O-N 2.91Å; N91-G93 VanDerWaalsContact C-N 3.33Å
94S98.1Very high96.1Very high11 Ų1165.1 Ų65.18%0.07735%0.35CS..  trans-66.3135.7174.5-66.10000111.2S89 I96 F259 T260S89-S94 VanDerWaalsContact O-CB 3.23Å; S89-S94 WeakPolarHBondContact O-CB 3.39Å; S89-S94 PolarHBondContact O-N 3.06Å; S89-S94 PolarHBondContact O-OG 3.42Å; S94-I96 PolarHBondContact O-N 3.44Å; S94-F259 WeakPolarHBondContact CB-O 3.46Å; S94-F259 PolarHBondContact OG-O 3.3Å; S94-T260 PolarHBondContact OG-O 3.23Å; S94-T260 VanDerWaalsContact OG-O 3.05Å
95P97.6Very high95.7Very high76 Ų7662 Ų6249%0.49434%0.335SS..  trans-7752.1-177.433.2-38.6000113F259P95-F259 WeakPolarHBondContact CD-O 3.5Å; P95-F259 WeakPolarHBondContact O-CD1 3.45Å
96I97.5Very high95Very high4 Ų458.6 Ų58.62%0.02132%0.323CS..  trans-69.2135.7173.1-57.8-59.8000109L86 Y90 S94 Y98 L100 L101 F259 L261L86-I96 HydrophobicContact CD2-CD1 3.85Å; Y90-I96 HydrophobicContact CD2-CB 4.11Å; Y90-I96 WeakPolarHBondContact CD2-O 3.41Å; S94-I96 PolarHBondContact O-N 3.44Å; I96-Y98 PolarHBondContact O-N 3.02Å; I96-Y98 VanDerWaalsContact O-N 3.15Å; I96-L100 HydrophobicContact CG2-CD2 3.82Å; I96-L101 HydrophobicContact CG2-CD2 4.15Å; I96-L101 HydrophobicContact CG2-CG 4.49Å; I96-F259 HydrophobicContact CD1-CB 3.69Å; I96-F259 HydrophobicContact CD1-CD1 3.78Å; I96-F259 HydrophobicContact CD1-CG 3.75Å; I96-L261 HydrophobicContact CD1-CD2 4.25Å
97P95.6Very high94.5Very high39 Ų3959.8 Ų59.825%0.25333%0.328SS..  trans-57.2121.6178.9-26.136.1000111.3K99 L100 F259P97-K99 PolarHBondContact O-N 3.04Å; P97-K99 VanDerWaalsContact O-N 3.11Å; P97-L100 VanDerWaalsContact O-CB 3.28Å; P97-L100 WeakPolarHBondContact O-CB 3.23Å; P97-L100 PolarHBondContact O-N 3.26Å; P97-F259 HydrophobicContact CG-CE1 4.29Å
98Y95.5Very high93.8Very high153 Ų15362.4 Ų62.460%0.634%0.339SS*.Hα-helixtrans-55-35.6-177.9-178.5-104.4000112.6Y90 I96 L100 L101 T102Y90-Y98 AromaticContact CZ-CD2 3.97Å; Y90-Y98 WeakPolarHBondContact OH-CD2 3.39Å; I96-Y98 PolarHBondContact O-N 3.02Å; I96-Y98 VanDerWaalsContact O-N 3.15Å; Y98-L100 PolarHBondContact O-N 2.64Å; Y98-L101 HydrophobicContact CD2-CD1 4.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.39Å; Y98-L101 PolarHBondContact O-N 3.29Å; Y98-T102 HydrophobicContact CD1-CG2 4.26Å; Y98-T102 HydrophobicContact CE1-CG2 3.59Å; Y98-T102 HydrophobicContact CE2-CG2 4.25Å; Y98-T102 PolarHBondContact O-N 3.02Å
99K94.1Very high93Very high96 Ų9663.7 Ų63.742%0.41735%0.35SS..Hα-helixtrans-55.4-34.7176.4-164.7178.7-176.8172.60112.6P97 L101 T102 H103 D290 P293P97-K99 PolarHBondContact O-N 3.04Å; P97-K99 VanDerWaalsContact O-N 3.11Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-T102 PolarHBondContact O-OG1 3.36Å; K99-H103 VanDerWaalsContact O-CB 3.28Å; K99-H103 WeakPolarHBondContact O-CB 3.31Å; K99-H103 PolarHBondContact O-N 2.94Å; K99-D290 IonicContact NZ-OD2 3.39Å; K99-D290 PolarHBondContact NZ-OD2 3.09Å; K99-P293 HydrophobicContact CB-CG 4.33Å; K99-P293 HydrophobicContact CD-CG 3.94Å; K99-P293 HydrophobicContact CG-CB 4.42Å; K99-P293 HydrophobicContact CG-CG 3.72Å
100L95.6Very high92.1Very high0 Ų064.5 Ų64.50%036%0.358CS..Hα-helixtrans-65.8-36.2176-178.971.7000112.1H83 L86 I96 P97 Y98 H103 P293 W294 L297H83-L100 PolarHBondContact NE2-O 2.86Å; L86-L100 HydrophobicContact CD1-CD2 3.96Å; I96-L100 HydrophobicContact CG2-CD2 3.82Å; P97-L100 VanDerWaalsContact O-CB 3.28Å; P97-L100 WeakPolarHBondContact O-CB 3.23Å; P97-L100 PolarHBondContact O-N 3.26Å; Y98-L100 PolarHBondContact O-N 2.64Å; L100-H103 WeakPolarHBondContact O-CB 3.48Å; L100-H103 PolarHBondContact O-N 3.46Å; L100-P293 HydrophobicContact CB-CB 3.98Å; L100-P293 HydrophobicContact CD1-CB 3.99Å; L100-W294 HydrophobicContact CD1-CD2 3.77Å; L100-W294 HydrophobicContact CD1-CE3 4.21Å; L100-W294 HydrophobicContact CD1-CG 3.96Å; L100-W294 HydrophobicContact CD1-CZ2 4.42Å; L100-L297 HydrophobicContact CD2-CD1 3.69Å; L100-L297 HydrophobicContact CD2-CD2 3.97Å; L100-L297 HydrophobicContact CD2-CG 4.05Å
101L93.7Very high91.4Very high25 Ų2562.9 Ų62.913%0.13136%0.361CS..Hα-helixtrans-74.3-32.1-175.4-55.4173.8000112.3K87 Y90 I96 Y98 K99K87-L101 HydrophobicContact CB-CD2 4.01Å; K87-L101 HydrophobicContact CG-CD2 4.35Å; Y90-L101 HydrophobicContact CD1-CD1 3.25Å; Y90-L101 HydrophobicContact CD2-CD1 3.41Å; Y90-L101 VanDerWaalsContact CD2-CD1 3.41Å; Y90-L101 HydrophobicContact CE1-CD1 3.58Å; Y90-L101 HydrophobicContact CE2-CD1 3.7Å; Y90-L101 HydrophobicContact CG-CD1 3.14Å; Y90-L101 HydrophobicContact CG-CG 4.4Å; I96-L101 HydrophobicContact CG2-CD2 4.15Å; I96-L101 HydrophobicContact CG2-CG 4.49Å; Y98-L101 HydrophobicContact CD2-CD1 4.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.39Å; Y98-L101 PolarHBondContact O-N 3.29Å; K99-L101 VanDerWaalsContact C-N 3.33Å
102T92.5Very high91Very high84 Ų8460.2 Ų60.252%0.51535%0.348SS..Hα-helixtrans-89.1-8.9173.760.20000112.7Y98 K99Y98-T102 HydrophobicContact CD1-CG2 4.26Å; Y98-T102 HydrophobicContact CE1-CG2 3.59Å; Y98-T102 HydrophobicContact CE2-CG2 4.25Å; Y98-T102 PolarHBondContact O-N 3.02Å; K99-T102 PolarHBondContact O-OG1 3.36Å
103H92.7Very high90.8Very high45 Ų4560.3 Ų60.321%0.20834%0.336CS..SBendtrans-69.6133.6176.6-168.367.3000110.4K99 L100 E281 P293 W294K99-H103 VanDerWaalsContact O-CB 3.28Å; K99-H103 WeakPolarHBondContact O-CB 3.31Å; K99-H103 PolarHBondContact O-N 2.94Å; L100-H103 WeakPolarHBondContact O-CB 3.48Å; L100-H103 PolarHBondContact O-N 3.46Å; H103-E281 IonicContact CD2-OE1 2.69Å; H103-E281 IonicContact CD2-OE2 3.76Å; H103-E281 IonicContact CE1-OE1 3.87Å; H103-E281 IonicContact CE1-OE2 3.23Å; H103-E281 IonicContact NE2-OE1 3.77Å; H103-E281 PolarHBondContact NE2-OE1 2.8Å; H103-E281 IonicContact NE2-OE2 2.7Å; H103-E281 PolarHBondContact NE2-OE2 3.43Å; H103-P293 HydrophobicContact CB-CB 4.45Å; H103-P293 HydrophobicContact CB-CG 4.03Å; H103-W294 AromaticContact CD2-CD1 3.92Å; H103-W294 AromaticContact CD2-NE1 3.74Å
104P89.4Confident90.5Very high96 Ų9659.1 Ų59.162%0.62331%0.313SS*.PPolyproline II helixtrans-56.7145.8172.9-23.934.2000111.7
105I88Confident90.1Very high21 Ų2159.1 Ų59.111%0.10831%0.312CS..PPolyproline II helixtrans-59.8126.9171.9-59.1-58000109T80 H83 F107 K108T80-I105 WeakPolarHBondContact OG1-CG2 3.42Å; H83-I105 HydrophobicContact CB-CD1 3.37Å; H83-I105 WeakPolarHBondContact ND1-CD1 3.18Å; I105-F107 PolarHBondContact O-N 2.67Å; I105-K108 HydrophobicContact CB-CB 4.01Å; I105-K108 HydrophobicContact CB-CD 4.11Å; I105-K108 HydrophobicContact CG1-CD 4.36Å; I105-K108 HydrophobicContact CG2-CB 4.14Å; I105-K108 PolarHBondContact O-N 3.24Å
106P83.5Confident89.8Confident2 Ų256 Ų561%0.01329%0.291CS..THydrogen-bonded Turntrans-53.5127.2-177.2-2125.4000111.2F79 K108 A277 E281 W294F79-P106 HydrophobicContact CB-CG 4.39Å; F79-P106 HydrophobicContact CD2-CB 3.94Å; F79-P106 HydrophobicContact CD2-CG 4.18Å; F79-P106 HydrophobicContact CE2-CB 4.43Å; F79-P106 HydrophobicContact CG-CG 4.47Å; P106-K108 PolarHBondContact O-N 3.36Å; P106-A277 HydrophobicContact CG-CB 4.38Å; P106-E281 HydrophobicContact CB-CG 3.99Å; P106-E281 WeakPolarHBondContact CB-OE1 3.44Å; P106-E281 HydrophobicContact CG-CG 4.28Å; P106-E281 VanDerWaalsContact CG-OE1 3.27Å; P106-E281 WeakPolarHBondContact CG-OE1 3.44Å; P106-W294 HydrophobicContact CG-CZ2 4.17Å
107F87.7Confident89.3Confident26 Ų2656.3 Ų56.311%0.11429%0.294CS..THydrogen-bonded Turntrans59.316.2171.1-45.2-76.5000115.7P71 I76 F79 I105 N109 A110 L116 Y280 E281 A284P71-F107 VanDerWaalsContact CD-CD2 3.47Å; P71-F107 VanDerWaalsContact CD-CG 3.42Å; P71-F107 HydrophobicContact CG-CB 4.39Å; P71-F107 HydrophobicContact CG-CD2 3.5Å; P71-F107 VanDerWaalsContact CG-CD2 3.5Å; P71-F107 HydrophobicContact CG-CE2 4.04Å; P71-F107 HydrophobicContact CG-CG 3.98Å; I76-F107 HydrophobicContact CD1-CB 4.13Å; I76-F107 HydrophobicContact CG1-CB 4.25Å; F79-F107 HydrophobicContact CE2-CD2 4.48Å; I105-F107 PolarHBondContact O-N 2.67Å; F107-N109 PolarHBondContact O-N 2.91Å; F107-N109 VanDerWaalsContact O-N 3.13Å; F107-A110 HydrophobicContact CB-CB 3.93Å; F107-A110 HydrophobicContact CD1-CB 4.41Å; F107-A110 WeakPolarHBondContact O-CB 3.43Å; F107-A110 PolarHBondContact O-N 3.15Å; F107-L116 HydrophobicContact CD1-CD1 3.99Å; F107-L116 HydrophobicContact CE1-CD1 3.51Å; F107-L116 HydrophobicContact CZ-CD1 4.48Å; F107-Y280 VanDerWaalsContact CE2-CB 3.47Å; F107-Y280 HydrophobicContact CE2-CG 4.38Å; F107-Y280 WeakPolarHBondContact CZ-O 3.01Å; F107-E281 HydrophobicContact CE2-CG 4.01Å; F107-E281 HydrophobicContact CZ-CG 4.16Å; F107-A284 HydrophobicContact CE1-CB 3.78Å; F107-A284 HydrophobicContact CZ-CB 3.89Å
108K82.9Confident89Confident140 Ų14055.5 Ų55.561%0.60929%0.286SS*.THydrogen-bonded Turntrans-53.9-36.2-177.9-178.3174.6178.81760113.6I105 P106I105-K108 HydrophobicContact CB-CB 4.01Å; I105-K108 HydrophobicContact CB-CD 4.11Å; I105-K108 HydrophobicContact CG1-CD 4.36Å; I105-K108 HydrophobicContact CG2-CB 4.14Å; I105-K108 PolarHBondContact O-N 3.24Å; P106-K108 PolarHBondContact O-N 3.36Å
109N81.9Confident88.9Confident146 Ų14648.2 Ų48.278%0.78126%0.257SS*.THydrogen-bonded Turntrans-103.84.8-179.7-58.8-23.6000112.9F107F107-N109 PolarHBondContact O-N 2.91Å; F107-N109 VanDerWaalsContact O-N 3.13Å
110A78.6Confident88.8Confident28 Ų2844.1 Ų44.123%0.23124%0.239CC..SBendtrans-82.6147.5-179.300000111A70 F107 V112 L116A70-A110 HydrophobicContact CB-CB 4.14Å; F107-A110 HydrophobicContact CB-CB 3.93Å; F107-A110 HydrophobicContact CD1-CB 4.41Å; F107-A110 WeakPolarHBondContact O-CB 3.43Å; F107-A110 PolarHBondContact O-N 3.15Å; A110-V112 PolarHBondContact O-N 2.05Å; A110-L116 HydrophobicContact CB-CD2 4.44Å
111A83.2Confident88.6Confident46 Ų4647.1 Ų47.138%0.3825%0.253SS..PPolyproline II helixtrans-64.9120.9169.900000109.9A70 K113 E114 T179A70-A111 VanDerWaalsContact CB-O 3.26Å; A70-A111 WeakPolarHBondContact CB-O 3.32Å; A111-K113 PolarHBondContact O-N 3.35Å; A111-E114 HydrophobicContact CB-CB 3.85Å; A111-E114 HydrophobicContact CB-CG 3.49Å; A111-E114 VanDerWaalsContact CB-CG 3.49Å; A111-E114 WeakPolarHBondContact O-CB 3.4Å; A111-E114 PolarHBondContact O-N 3.12Å; A111-T179 HydrophobicContact CB-CG2 3.72Å
112V89Confident88.7Confident61 Ų6146.9 Ų46.937%0.3725%0.251SS..THydrogen-bonded Turntrans-59.7132.8-171.6174.70000111.1S73 I76 A110 E114S73-V112 VanDerWaalsContact N-CG1 3.35Å; I76-V112 HydrophobicContact CD1-CG2 4.12Å; A110-V112 PolarHBondContact O-N 2.05Å; V112-E114 PolarHBondContact O-N 2.95Å
113K91.6Very high88.9Confident101 Ų10142.9 Ų42.944%0.43923%0.227SC..THydrogen-bonded Turntrans59.81.8-178.2-61.3171.9-175174.90116.2A70 P71 D72 A111 R154A70-K113 WeakPolarHBondContact O-CA 3.36Å; P71-K113 PolarHBondContact O-N 3.43Å; D72-K113 HydrophobicContact CB-CD 4.28Å; D72-K113 HydrophobicContact CB-CG 4.02Å; A111-K113 PolarHBondContact O-N 3.35Å; K113-R154 WeakPolarHBondContact O-CD 3.29Å
114E91.1Very high89Confident42 Ų4241.1 Ų41.120%0.19622%0.219CC..PPolyproline II helixtrans-75.5156.6179.2-69.3-53.4136.100112.6R69 A70 A111 V112 L116 T179R69-E114 CarbonylContact C-O 3.3Å; R69-E114 WeakPolarHBondContact CA-O 3.34Å; R69-E114 WeakPolarHBondContact CB-O 3.34Å; A70-E114 PolarHBondContact N-O 3.01Å; A111-E114 HydrophobicContact CB-CB 3.85Å; A111-E114 HydrophobicContact CB-CG 3.49Å; A111-E114 VanDerWaalsContact CB-CG 3.49Å; A111-E114 WeakPolarHBondContact O-CB 3.4Å; A111-E114 PolarHBondContact O-N 3.12Å; V112-E114 PolarHBondContact O-N 2.95Å; E114-L116 PolarHBondContact O-N 3.08Å; E114-T179 HydrophobicContact CG-CG2 4.17Å
115L90.7Very high89.2Confident11 Ų1137.4 Ų37.46%0.05820%0.198CC..BIsolated β-bridgetrans-64.5129.2175.7-163.470.8000109.4T68 F120 R154 A157 S158T68-L115 WeakPolarHBondContact O-CD1 3.26Å; L115-F120 HydrophobicContact CB-CE2 3.86Å; L115-F120 HydrophobicContact CB-CZ 4.01Å; L115-F120 HydrophobicContact CD2-CD1 3.89Å; L115-F120 HydrophobicContact CD2-CD2 3.94Å; L115-F120 HydrophobicContact CD2-CE1 3.77Å; L115-F120 HydrophobicContact CD2-CE2 3.84Å; L115-F120 HydrophobicContact CD2-CG 3.94Å; L115-F120 HydrophobicContact CD2-CZ 3.72Å; L115-F120 HydrophobicContact CG-CD2 4.13Å; L115-F120 HydrophobicContact CG-CE2 3.95Å; L115-F120 HydrophobicContact CG-CZ 4.22Å; L115-F120 WeakPolarHBondContact O-CE2 3.33Å; L115-R154 HydrophobicContact CB-CB 4.21Å; L115-A157 HydrophobicContact CB-CB 4.22Å; L115-A157 HydrophobicContact CD2-CB 3.82Å; L115-S158 WeakPolarHBondContact CD1-OG 3.35Å
116L90.3Very high89.7Confident10 Ų1036.4 Ų36.45%0.05219%0.193CC..PPolyproline II helixtrans-86.9162.1178-70.3175.7000110.6T68 R69 A70 F107 A110 E114 R118 G119 F120 W176 A284T68-L116 HydrophobicContact CG2-CB 4.42Å; T68-L116 HydrophobicContact CG2-CD1 4.16Å; T68-L116 PolarHBondContact O-N 3.06Å; R69-L116 VanDerWaalsContact C-CD1 3.48Å; A70-L116 HydrophobicContact CB-CD2 4.14Å; A70-L116 HydrophobicContact CB-CG 4.42Å; F107-L116 HydrophobicContact CD1-CD1 3.99Å; F107-L116 HydrophobicContact CE1-CD1 3.51Å; F107-L116 HydrophobicContact CZ-CD1 4.48Å; A110-L116 HydrophobicContact CB-CD2 4.44Å; E114-L116 PolarHBondContact O-N 3.08Å; L116-R118 VanDerWaalsContact C-N 3.26Å; L116-R118 PolarHBondContact O-N 3.09Å; L116-R118 VanDerWaalsContact O-N 3.16Å; L116-G119 WeakPolarHBondContact O-CA 3.4Å; L116-G119 PolarHBondContact O-N 2.96Å; L116-F120 VanDerWaalsContact O-CD2 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.35Å; L116-F120 PolarHBondContact O-N 2.91Å; L116-W176 HydrophobicContact CB-CH2 4.44Å; L116-W176 HydrophobicContact CB-CZ3 4.42Å; L116-W176 HydrophobicContact CD1-CZ3 4.39Å; L116-W176 HydrophobicContact CD2-CZ3 3.86Å; L116-W176 HydrophobicContact CG-CZ3 4.44Å; L116-A284 HydrophobicContact CD1-CB 3.89Å
117P88.3Confident90.4Very high11 Ų1136.3 Ų36.37%0.07119%0.192CC..Hα-helixtrans-39.1-51.3170.8-41.645000115.6G119 F120 Q121 P174 W176P117-G119 VanDerWaalsContact C-N 3.28Å; P117-G119 PolarHBondContact O-N 3.45Å; P117-F120 WeakPolarHBondContact O-CB 3.41Å; P117-F120 PolarHBondContact O-N 2.99Å; P117-F120 VanDerWaalsContact O-N 3.1Å; P117-Q121 PolarHBondContact O-N 2.97Å; P117-P174 HydrophobicContact CB-CB 3.41Å; P117-P174 VanDerWaalsContact CB-CB 3.41Å; P117-P174 HydrophobicContact CB-CG 3.5Å; P117-P174 HydrophobicContact CG-CB 3.94Å; P117-P174 HydrophobicContact CG-CG 4.49Å; P117-P174 WeakPolarHBondContact O-CG 3.23Å; P117-W176 HydrophobicContact CB-CD2 4.19Å; P117-W176 HydrophobicContact CB-CH2 4.42Å; P117-W176 HydrophobicContact CB-CZ2 3.93Å; P117-W176 HydrophobicContact CG-CB 4.47Å; P117-W176 HydrophobicContact CG-CD2 3.55Å; P117-W176 HydrophobicContact CG-CE3 3.85Å; P117-W176 HydrophobicContact CG-CG 3.85Å; P117-W176 HydrophobicContact CG-CH2 4.36Å; P117-W176 HydrophobicContact CG-CZ2 4.12Å; P117-W176 HydrophobicContact CG-CZ3 4.26Å
118R88.9Confident90.8Very high22 Ų2237.2 Ų37.28%0.08320%0.195CC..Hα-helixtrans-59-38.5176.7-176.564.989.6163.715112.8R37 T68 L116 F120 Q121 E122 A283 M285 D287R37-R118 VanDerWaalsContact CZ-CZ 3.49Å; R37-R118 VanDerWaalsContact NH1-NH2 3.1Å; R37-R118 VanDerWaalsContact NH2-NH2 3.13Å; T68-R118 HydrophobicContact CG2-CB 4.3Å; L116-R118 VanDerWaalsContact C-N 3.26Å; L116-R118 PolarHBondContact O-N 3.09Å; L116-R118 VanDerWaalsContact O-N 3.16Å; R118-F120 VanDerWaalsContact C-N 3.31Å; R118-F120 PolarHBondContact O-N 3.43Å; R118-Q121 PolarHBondContact O-N 3.32Å; R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 VanDerWaalsContact O-CG 3.26Å; R118-E122 WeakPolarHBondContact O-CG 3.17Å; R118-E122 PolarHBondContact O-N 2.89Å; R118-A283 WeakPolarHBondContact CG-O 3.48Å; R118-M285 PolarHBondContact NE-O 2.9Å; R118-M285 PolarHBondContact NH2-O 3.38Å; R118-D287 IonicContact CZ-OD1 3.68Å; R118-D287 IonicContact NH1-OD1 3.11Å; R118-D287 IonicContact NH1-OD2 2.7Å; R118-D287 IonicContact NH2-OD1 2.73Å; R118-D287 PolarHBondContact NH2-OD1 3.08Å; R118-D287 IonicContact NH2-OD2 3.5Å
119G93.7Very high91.5Very high0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-63.1-32.8176.300000114.1T68 L116 P117 E122 H123T68-G119 WeakPolarHBondContact O-CA 3.43Å; L116-G119 WeakPolarHBondContact O-CA 3.4Å; L116-G119 PolarHBondContact O-N 2.96Å; P117-G119 VanDerWaalsContact C-N 3.28Å; P117-G119 PolarHBondContact O-N 3.45Å; G119-E122 WeakPolarHBondContact CA-OE2 3.25Å; G119-H123 PolarHBondContact O-CD2 2.82Å; G119-H123 PolarHBondContact O-N 2.81Å
120F91.9Very high92.2Very high9 Ų928.5 Ų28.54%0.03915%0.148CC..Hα-helixtrans-68.3-45.6171.6-70.8-85000111.5L115 L116 P117 R118 E122 H123 D124 A157 A161 I172 L180L115-F120 HydrophobicContact CB-CE2 3.86Å; L115-F120 HydrophobicContact CB-CZ 4.01Å; L115-F120 HydrophobicContact CD2-CD1 3.89Å; L115-F120 HydrophobicContact CD2-CD2 3.94Å; L115-F120 HydrophobicContact CD2-CE1 3.77Å; L115-F120 HydrophobicContact CD2-CE2 3.84Å; L115-F120 HydrophobicContact CD2-CG 3.94Å; L115-F120 HydrophobicContact CD2-CZ 3.72Å; L115-F120 HydrophobicContact CG-CD2 4.13Å; L115-F120 HydrophobicContact CG-CE2 3.95Å; L115-F120 HydrophobicContact CG-CZ 4.22Å; L115-F120 WeakPolarHBondContact O-CE2 3.33Å; L116-F120 VanDerWaalsContact O-CD2 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.35Å; L116-F120 PolarHBondContact O-N 2.91Å; P117-F120 WeakPolarHBondContact O-CB 3.41Å; P117-F120 PolarHBondContact O-N 2.99Å; P117-F120 VanDerWaalsContact O-N 3.1Å; R118-F120 VanDerWaalsContact C-N 3.31Å; R118-F120 PolarHBondContact O-N 3.43Å; F120-E122 PolarHBondContact O-N 3.37Å; F120-H123 PolarHBondContact O-N 2.82Å; F120-D124 WeakPolarHBondContact O-CB 3.32Å; F120-D124 PolarHBondContact O-N 3.35Å; F120-A157 HydrophobicContact CE1-CB 3.93Å; F120-A157 HydrophobicContact CZ-CB 3.97Å; F120-A161 HydrophobicContact CB-CB 4.42Å; F120-A161 HydrophobicContact CD1-CB 3.9Å; F120-I172 HydrophobicContact CB-CG2 4.05Å; F120-L180 HydrophobicContact CD1-CD1 3.94Å; F120-L180 HydrophobicContact CD1-CD2 4.42Å; F120-L180 HydrophobicContact CE1-CB 3.49Å; F120-L180 VanDerWaalsContact CE1-CB 3.49Å; F120-L180 HydrophobicContact CE1-CD1 3.71Å; F120-L180 HydrophobicContact CE1-CD2 3.95Å; F120-L180 HydrophobicContact CE1-CG 3.91Å; F120-L180 HydrophobicContact CE2-CB 4.35Å; F120-L180 HydrophobicContact CE2-CD1 4.31Å; F120-L180 HydrophobicContact CG-CD1 4.39Å; F120-L180 HydrophobicContact CZ-CB 3.4Å; F120-L180 VanDerWaalsContact CZ-CB 3.4Å; F120-L180 HydrophobicContact CZ-CD1 3.93Å; F120-L180 HydrophobicContact CZ-CG 4.19Å
121Q91.5Very high93.1Very high64 Ų6429 Ų2930%0.29915%0.145SC..Hα-helixtrans-62.1-41.9178-66.7169.2-1200112.1P117 R118 H123 D124 G125 P174P117-Q121 PolarHBondContact O-N 2.97Å; R118-Q121 PolarHBondContact O-N 3.32Å; Q121-H123 VanDerWaalsContact C-N 3.34Å; Q121-H123 PolarHBondContact O-N 2.82Å; Q121-D124 PolarHBondContact O-N 3.39Å; Q121-G125 PolarHBondContact O-N 3.43Å; Q121-P174 HydrophobicContact CG-CG 3.98Å
122E95.5Very high93.7Very high19 Ų1930.8 Ų30.89%0.08915%0.148CC..Hα-helixtrans-55.5-49.9176.9-76.3165.7175.200111.1G67 T68 R118 G119 F120 L126 A426G67-E122 VanDerWaalsContact CA-OE2 3.32Å; G67-E122 WeakPolarHBondContact CA-OE2 3.44Å; T68-E122 PolarHBondContact N-OE2 3.05Å; T68-E122 PolarHBondContact OG1-OE1 3.01Å; T68-E122 PolarHBondContact OG1-OE2 2.61Å; R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 VanDerWaalsContact O-CG 3.26Å; R118-E122 WeakPolarHBondContact O-CG 3.17Å; R118-E122 PolarHBondContact O-N 2.89Å; G119-E122 WeakPolarHBondContact CA-OE2 3.25Å; F120-E122 PolarHBondContact O-N 3.37Å; E122-L126 WeakPolarHBondContact O-CB 3.27Å; E122-L126 WeakPolarHBondContact O-CD1 3.04Å; E122-L126 VanDerWaalsContact O-CG 3.31Å; E122-L126 WeakPolarHBondContact O-CG 3.29Å; E122-L126 PolarHBondContact O-N 3.03Å; E122-A426 HydrophobicContact CB-CB 3.79Å; E122-A426 HydrophobicContact CG-CB 4.29Å
123H96.2Very high94Very high0 Ų029.9 Ų29.90%014%0.141CC..Hα-helixtrans-74.4-38.7-178.6-84-70.5000113.2R65 G67 G119 F120 Q121 G125 L126 G127 S158 A161 F162 F366R65-H123 PolarHBondContact O-CE1 3.34Å; R65-H123 PolarHBondContact O-NE2 3.45Å; G67-H123 PolarHBondContact N-CD2 2.84Å; G67-H123 PolarHBondContact N-NE2 2.96Å; G119-H123 PolarHBondContact O-CD2 2.82Å; G119-H123 PolarHBondContact O-N 2.81Å; F120-H123 PolarHBondContact O-N 2.82Å; Q121-H123 VanDerWaalsContact C-N 3.34Å; Q121-H123 PolarHBondContact O-N 2.82Å; H123-G125 VanDerWaalsContact C-N 3.31Å; H123-G125 PolarHBondContact O-N 3.02Å; H123-L126 PolarHBondContact O-N 2.03Å; H123-G127 PolarHBondContact O-N 3Å; H123-S158 WeakPolarHBondContact CB-O 3.29Å; H123-S158 WeakPolarHBondContact CD2-CB 3.5Å; H123-S158 PolarHBondContact CD2-OG 3.02Å; H123-A161 HydrophobicContact CB-CB 3.86Å; H123-F162 HydrophobicContact CB-CB 4.14Å; H123-F162 VanDerWaalsContact O-CA 3.27Å; H123-F162 WeakPolarHBondContact O-CA 3.29Å; H123-F366 AromaticContact ND1-CE1 3.82Å
124D94Very high94.2Very high8 Ų825.1 Ų25.14%0.04312%0.12CC..Hα-helixtrans-56.1-47.8171.4-174.189.2000111F120 Q121 L126 G127 R128 A161 N164 G165 I172F120-D124 WeakPolarHBondContact O-CB 3.32Å; F120-D124 PolarHBondContact O-N 3.35Å; Q121-D124 PolarHBondContact O-N 3.39Å; D124-L126 PolarHBondContact O-N 3.49Å; D124-G127 PolarHBondContact O-N 3.35Å; D124-R128 WeakPolarHBondContact O-CG 3.15Å; D124-R128 PolarHBondContact O-N 3.19Å; D124-R128 IonicContact OD1-NH2 3.79Å; D124-R128 PolarHBondContact OD1-NH2 3.43Å; D124-R128 IonicContact OD2-CZ 3.81Å; D124-R128 IonicContact OD2-NE 2.77Å; D124-R128 PolarHBondContact OD2-NE 3.47Å; D124-R128 IonicContact OD2-NH2 3.62Å; D124-R128 PolarHBondContact OD2-NH2 2.84Å; D124-R128 VanDerWaalsContact OD2-NH2 3.08Å; D124-A161 WeakPolarHBondContact CA-O 3.36Å; D124-N164 PolarHBondContact OD1-ND2 2.92Å; D124-G165 WeakPolarHBondContact O-CA 3.43Å; D124-G165 WeakPolarHBondContact OD1-CA 3.29Å; D124-G165 PolarHBondContact OD1-N 2.87Å; D124-I172 HydrophobicContact CB-CD1 4.22Å
125G95.3Very high94.4Very high18 Ų1827.7 Ų27.719%0.18613%0.128CC..Hα-helixtrans-62-44.1177.100000112.9Q121 H123 G127 R128 R129Q121-G125 PolarHBondContact O-N 3.43Å; H123-G125 VanDerWaalsContact C-N 3.31Å; H123-G125 PolarHBondContact O-N 3.02Å; G125-G127 VanDerWaalsContact C-N 3.34Å; G125-R128 PolarHBondContact O-N 3.28Å; G125-R129 VanDerWaalsContact C-NH1 3.27Å; G125-R129 WeakPolarHBondContact O-CG 3.36Å; G125-R129 PolarHBondContact O-N 2.8Å; G125-R129 PolarHBondContact O-NH1 2.87Å
126L98.3Very high94.5Very high0 Ų034.5 Ų34.50%016%0.159CC..Hα-helixtrans-60.2-44.4174.3-78.7162.6000111.3Y36 L64 E122 H123 D124 R128 R129 F130 F162 A426 E456Y36-L126 HydrophobicContact CE1-CD2 4.23Å; L64-L126 HydrophobicContact CD2-CD1 4.14Å; E122-L126 WeakPolarHBondContact O-CB 3.27Å; E122-L126 WeakPolarHBondContact O-CD1 3.04Å; E122-L126 VanDerWaalsContact O-CG 3.31Å; E122-L126 WeakPolarHBondContact O-CG 3.29Å; E122-L126 PolarHBondContact O-N 3.03Å; H123-L126 PolarHBondContact O-N 2.03Å; D124-L126 PolarHBondContact O-N 3.49Å; L126-R128 PolarHBondContact O-N 3.06Å; L126-R129 PolarHBondContact O-N 3.42Å; L126-F130 HydrophobicContact CD2-CE2 4.2Å; L126-F130 WeakPolarHBondContact O-CD2 3.04Å; L126-F130 PolarHBondContact O-N 2.78Å; L126-F162 HydrophobicContact CB-CD2 3.9Å; L126-F162 HydrophobicContact CB-CE2 3.91Å; L126-A426 HydrophobicContact CD1-CB 3.85Å; L126-E456 WeakPolarHBondContact CD2-OE2 2.89Å
127G97.1Very high94.6Very high0 Ų037.7 Ų37.70%017%0.174CC..Hα-helixtrans-54.9-49.517600000112.1H123 D124 G125 R129 F130 F131 F162 F166H123-G127 PolarHBondContact O-N 3Å; D124-G127 PolarHBondContact O-N 3.35Å; G125-G127 VanDerWaalsContact C-N 3.34Å; G127-R129 PolarHBondContact O-N 3.05Å; G127-F130 PolarHBondContact O-N 3.19Å; G127-F131 WeakPolarHBondContact O-CB 3.24Å; G127-F131 PolarHBondContact O-N 3.35Å; G127-F162 WeakPolarHBondContact CA-O 3.25Å; G127-F166 WeakPolarHBondContact O-CA 3.36Å; G127-F166 WeakPolarHBondContact O-CD2 3.43Å
128R96.3Very high94.8Very high46 Ų4637.6 Ų37.617%0.17417%0.172CC..Hα-helixtrans-60.5-44.2176.8-68.9179-164-75.1-11.3112.5D124 G125 L126 F131 N132 G165 N168 G169D124-R128 WeakPolarHBondContact O-CG 3.15Å; D124-R128 PolarHBondContact O-N 3.19Å; D124-R128 IonicContact OD1-NH2 3.79Å; D124-R128 PolarHBondContact OD1-NH2 3.43Å; D124-R128 IonicContact OD2-CZ 3.81Å; D124-R128 IonicContact OD2-NE 2.77Å; D124-R128 PolarHBondContact OD2-NE 3.47Å; D124-R128 IonicContact OD2-NH2 3.62Å; D124-R128 PolarHBondContact OD2-NH2 2.84Å; D124-R128 VanDerWaalsContact OD2-NH2 3.08Å; G125-R128 PolarHBondContact O-N 3.28Å; L126-R128 PolarHBondContact O-N 3.06Å; R128-F131 PolarHBondContact O-N 2.6Å; R128-N132 WeakPolarHBondContact O-CB 3.36Å; R128-N132 PolarHBondContact O-N 3.11Å; R128-N132 PolarHBondContact O-ND2 3.32Å; R128-G165 WeakPolarHBondContact CG-O 3.35Å; R128-N168 PolarHBondContact NH1-OD1 3.16Å; R128-G169 PolarHBondContact NH1-O 3.44Å; R128-G169 VanDerWaalsContact NH1-O 3.17Å; R128-G169 PolarHBondContact NH2-O 3.41Å
129R97.8Very high94.9Very high98 Ų9841.9 Ų41.937%0.3720%0.197SC..Hα-helixtrans-65.3-43.6-178.9-70.5-167.9-55.7-85.57.6111.9G125 L126 G127 N132 L133 E456G125-R129 VanDerWaalsContact C-NH1 3.27Å; G125-R129 WeakPolarHBondContact O-CG 3.36Å; G125-R129 PolarHBondContact O-N 2.8Å; G125-R129 PolarHBondContact O-NH1 2.87Å; L126-R129 PolarHBondContact O-N 3.42Å; G127-R129 PolarHBondContact O-N 3.05Å; R129-N132 PolarHBondContact O-N 3.47Å; R129-L133 WeakPolarHBondContact O-CB 3.28Å; R129-L133 PolarHBondContact O-N 2.69Å; R129-E456 WeakPolarHBondContact CD-OE1 3.48Å; R129-E456 IonicContact CZ-OE1 3.25Å; R129-E456 IonicContact CZ-OE2 2.73Å; R129-E456 IonicContact NE-OE1 3.65Å; R129-E456 PolarHBondContact NE-OE1 3.37Å; R129-E456 IonicContact NE-OE2 3.3Å; R129-E456 PolarHBondContact NE-OE2 3.06Å; R129-E456 IonicContact NH2-OE1 2.63Å; R129-E456 IonicContact NH2-OE2 3.29Å; R129-E456 PolarHBondContact NH2-OE2 2.68Å
130F97.9Very high94.9Very high4 Ų442.4 Ų42.42%0.01820%0.199CC..Hα-helixtrans-69.2-36.4175.9-81-70.2000112.9V60 V62 L126 G127 L133 M134 F162 F166 F364 A430V60-F130 HydrophobicContact CG1-CD1 4.02Å; V60-F130 HydrophobicContact CG1-CE1 4.29Å; V62-F130 HydrophobicContact CB-CZ 4.43Å; V62-F130 HydrophobicContact CG1-CE1 4.36Å; V62-F130 HydrophobicContact CG1-CE2 3.99Å; V62-F130 HydrophobicContact CG1-CZ 3.72Å; V62-F130 HydrophobicContact CG2-CD1 3.98Å; V62-F130 HydrophobicContact CG2-CE1 3.58Å; V62-F130 HydrophobicContact CG2-CE2 4.4Å; V62-F130 HydrophobicContact CG2-CZ 3.82Å; L126-F130 HydrophobicContact CD2-CE2 4.2Å; L126-F130 WeakPolarHBondContact O-CD2 3.04Å; L126-F130 PolarHBondContact O-N 2.78Å; G127-F130 PolarHBondContact O-N 3.19Å; F130-L133 HydrophobicContact CD1-CD2 4.15Å; F130-L133 HydrophobicContact CE1-CD2 4.4Å; F130-L133 PolarHBondContact O-N 3.02Å; F130-M134 WeakPolarHBondContact O-CB 3.14Å; F130-M134 VanDerWaalsContact O-CG 3.27Å; F130-M134 WeakPolarHBondContact O-CG 3.19Å; F130-M134 PolarHBondContact O-N 3.3Å; F130-F162 HydrophobicContact CB-CZ 3.98Å; F130-F162 AromaticContact CD2-CE2 3.8Å; F130-F162 HydrophobicContact CD2-CE2 3.8Å; F130-F162 AromaticContact CD2-CZ 3.92Å; F130-F162 HydrophobicContact CD2-CZ 3.92Å; F130-F162 HydrophobicContact CG-CZ 4.26Å; F130-F166 HydrophobicContact CB-CD2 4.41Å; F130-F166 HydrophobicContact CB-CE2 4.37Å; F130-F364 HydrophobicContact CB-CE1 3.95Å; F130-F364 HydrophobicContact CB-CZ 4.15Å; F130-F364 HydrophobicContact CD1-CE1 4.32Å; F130-F364 HydrophobicContact CD2-CE1 4.43Å; F130-F364 AromaticContact CG-CE1 3.99Å; F130-F364 HydrophobicContact CG-CE1 3.99Å; F130-A430 HydrophobicContact CE1-CB 4.15Å; F130-A430 HydrophobicContact CZ-CB 4.2Å
131F96.2Very high94.9Very high39 Ų3945.7 Ų45.717%0.17122%0.22CC..Hα-helixtrans-59.5-49.2171.9175.7-99.3000111.4G127 R128 M134 R135 F140 F166G127-F131 WeakPolarHBondContact O-CB 3.24Å; G127-F131 PolarHBondContact O-N 3.35Å; R128-F131 PolarHBondContact O-N 2.6Å; F131-M134 PolarHBondContact O-N 3.09Å; F131-R135 HydrophobicContact CD1-CG 4.14Å; F131-R135 HydrophobicContact CD2-CG 4.22Å; F131-R135 HydrophobicContact CE1-CG 3.75Å; F131-R135 HydrophobicContact CE2-CG 3.87Å; F131-R135 HydrophobicContact CG-CG 4.37Å; F131-R135 HydrophobicContact CZ-CG 3.62Å; F131-R135 WeakPolarHBondContact O-CB 3.35Å; F131-R135 WeakPolarHBondContact O-CG 3.31Å; F131-R135 PolarHBondContact O-N 2.78Å; F131-F140 HydrophobicContact CD2-CE2 4.16Å; F131-F140 AromaticContact CD2-CZ 3.57Å; F131-F140 HydrophobicContact CD2-CZ 3.57Å; F131-F140 HydrophobicContact CE2-CE2 4.26Å; F131-F140 AromaticContact CE2-CZ 3.8Å; F131-F140 HydrophobicContact CE2-CZ 3.8Å; F131-F166 HydrophobicContact CB-CD2 3.83Å; F131-F166 HydrophobicContact CB-CE2 4.08Å; F131-F166 HydrophobicContact CB-CG 4.23Å; F131-F166 VanDerWaalsContact CB-O 3.29Å; F131-F166 WeakPolarHBondContact CB-O 3.43Å; F131-F166 HydrophobicContact CD2-CE1 4.45Å; F131-F166 WeakPolarHBondContact CD2-O 3.38Å; F131-F166 WeakPolarHBondContact CG-O 3.15Å
132N96.5Very high94.9Very high84 Ų8444 Ų4445%0.44921%0.213SC..Hα-helixtrans-62.4-44179-71.2-20.9000111.8R128 R129 M134 R135 Q136R128-N132 WeakPolarHBondContact O-CB 3.36Å; R128-N132 PolarHBondContact O-N 3.11Å; R128-N132 PolarHBondContact O-ND2 3.32Å; R129-N132 PolarHBondContact O-N 3.47Å; N132-M134 PolarHBondContact O-N 3.14Å; N132-R135 PolarHBondContact O-N 2.7Å; N132-Q136 VanDerWaalsContact O-CG 3.25Å; N132-Q136 WeakPolarHBondContact O-CG 3.37Å; N132-Q136 PolarHBondContact O-N 3.3Å
133L95.4Very high94.7Very high42 Ų4248.9 Ų48.922%0.2224%0.236CC..Hα-helixtrans-55-51.2174.1174.165.5000110.9L57 R129 F130 Q136 H137 L432L57-L133 HydrophobicContact CD2-CG 4.34Å; R129-L133 WeakPolarHBondContact O-CB 3.28Å; R129-L133 PolarHBondContact O-N 2.69Å; F130-L133 HydrophobicContact CD1-CD2 4.15Å; F130-L133 HydrophobicContact CE1-CD2 4.4Å; F130-L133 PolarHBondContact O-N 3.02Å; L133-Q136 PolarHBondContact O-N 3.06Å; L133-H137 PolarHBondContact O-CD2 3.19Å; L133-H137 VanDerWaalsContact O-CD2 3.26Å; L133-L432 HydrophobicContact CD2-CD2 4.34Å
134M95.7Very high94.6Very high0 Ų049.4 Ų49.40%024%0.238CC..Hα-helixtrans-64-44.7-178.7-69.8173.666.100111.8V60 F130 F131 N132 Q136 H137 F138 F140 V145 F166 R361 F364V60-M134 HydrophobicContact CB-CG 4.22Å; V60-M134 HydrophobicContact CB-SD 4.17Å; V60-M134 HydrophobicContact CG2-CG 3.74Å; V60-M134 HydrophobicContact CG2-SD 4.34Å; F130-M134 WeakPolarHBondContact O-CB 3.14Å; F130-M134 VanDerWaalsContact O-CG 3.27Å; F130-M134 WeakPolarHBondContact O-CG 3.19Å; F130-M134 PolarHBondContact O-N 3.3Å; F131-M134 PolarHBondContact O-N 3.09Å; N132-M134 PolarHBondContact O-N 3.14Å; M134-Q136 VanDerWaalsContact C-N 3.27Å; M134-Q136 PolarHBondContact O-N 3.27Å; M134-H137 PolarHBondContact O-N 2.89Å; M134-F138 HydrophobicContact CB-CE2 3.78Å; M134-F138 HydrophobicContact CB-CZ 3.81Å; M134-F138 HydrophobicContact CE-CE2 3.73Å; M134-F138 HydrophobicContact CE-CZ 3.93Å; M134-F138 HydrophobicContact CG-CE2 4.21Å; M134-F138 HydrophobicContact CG-CZ 3.86Å; M134-F138 PolarHBondContact O-N 3.43Å; M134-F140 HydrophobicContact CB-CD1 4.22Å; M134-F140 HydrophobicContact CB-CE1 3.47Å; M134-F140 VanDerWaalsContact CB-CE1 3.47Å; M134-F140 HydrophobicContact CB-CZ 3.97Å; M134-F140 HydrophobicContact CE-CD1 4.38Å; M134-F140 HydrophobicContact CE-CD2 4.44Å; M134-F140 HydrophobicContact CE-CE1 4.25Å; M134-F140 HydrophobicContact CE-CE2 4.33Å; M134-F140 HydrophobicContact CE-CG 4.47Å; M134-F140 HydrophobicContact CE-CZ 4.21Å; M134-V145 HydrophobicContact CE-CG2 4.02Å; M134-F166 HydrophobicContact CE-CZ 4.16Å; M134-F166 HydrophobicContact SD-CE2 3.7Å; M134-F166 HydrophobicContact SD-CZ 3.69Å; M134-R361 HydrophobicContact CE-CB 3.95Å; M134-F364 HydrophobicContact SD-CE2 4.3Å; M134-F364 HydrophobicContact SD-CZ 3.82Å
135R94.6Very high94.8Very high96 Ų9649 Ų4936%0.36224%0.236SC..Hα-helixtrans-65.1-25.3179.8-76.1-63.7-175.3-175.3-6114.3F131 N132 H137 D139 F140F131-R135 HydrophobicContact CD1-CG 4.14Å; F131-R135 HydrophobicContact CD2-CG 4.22Å; F131-R135 HydrophobicContact CE1-CG 3.75Å; F131-R135 HydrophobicContact CE2-CG 3.87Å; F131-R135 HydrophobicContact CG-CG 4.37Å; F131-R135 HydrophobicContact CZ-CG 3.62Å; F131-R135 WeakPolarHBondContact O-CB 3.35Å; F131-R135 WeakPolarHBondContact O-CG 3.31Å; F131-R135 PolarHBondContact O-N 2.78Å; N132-R135 PolarHBondContact O-N 2.7Å; R135-H137 PolarHBondContact O-N 3.07Å; R135-D139 IonicContact NH1-OD1 3.82Å; R135-D139 PolarHBondContact NH1-OD1 3.49Å; R135-F140 HydrophobicContact CG-CE1 3.72Å; R135-F140 HydrophobicContact CG-CZ 4.16Å; R135-F140 VanDerWaalsContact CZ-O 3.25Å; R135-F140 PolarHBondContact NH1-O 3.11Å; R135-F140 PolarHBondContact NH2-O 3.39Å
136Q92.9Very high94.8Very high154 Ų15450.1 Ų50.172%0.7224%0.238SC*.Hα-helixtrans-68.5-21.1172.9-76.1170.80.600112.8N132 L133 M134N132-Q136 VanDerWaalsContact O-CG 3.25Å; N132-Q136 WeakPolarHBondContact O-CG 3.37Å; N132-Q136 PolarHBondContact O-N 3.3Å; L133-Q136 PolarHBondContact O-N 3.06Å; M134-Q136 VanDerWaalsContact C-N 3.27Å; M134-Q136 PolarHBondContact O-N 3.27Å
137H92.3Very high94.8Very high78 Ų7850.2 Ų50.236%0.36124%0.238SC..Hα-helixtrans-114-29.4-172.2-72.5-73.1000114.6L57 L133 M134 R135L57-H137 HydrophobicContact CB-CB 3.79Å; L57-H137 HydrophobicContact CD2-CB 4.22Å; L133-H137 PolarHBondContact O-CD2 3.19Å; L133-H137 VanDerWaalsContact O-CD2 3.26Å; M134-H137 PolarHBondContact O-N 2.89Å; R135-H137 PolarHBondContact O-N 3.07Å
138F92.2Very high94.9Very high9 Ų951.9 Ų51.94%0.03925%0.245CC..  trans-159.8158.1-18048.1-101.3000112.4L57 M134 F140 R361L57-F138 HydrophobicContact CB-CE1 4.37Å; L57-F138 HydrophobicContact CD2-CE1 4.04Å; L57-F138 HydrophobicContact CG-CE1 3.97Å; L57-F138 VanDerWaalsContact O-CD1 3.29Å; L57-F138 WeakPolarHBondContact O-CD1 3.46Å; M134-F138 HydrophobicContact CB-CE2 3.78Å; M134-F138 HydrophobicContact CB-CZ 3.81Å; M134-F138 HydrophobicContact CE-CE2 3.73Å; M134-F138 HydrophobicContact CE-CZ 3.93Å; M134-F138 HydrophobicContact CG-CE2 4.21Å; M134-F138 HydrophobicContact CG-CZ 3.86Å; M134-F138 PolarHBondContact O-N 3.43Å; F138-F140 HydrophobicContact CD2-CB 4.35Å; F138-F140 AromaticContact CD2-CD1 3.83Å; F138-F140 HydrophobicContact CD2-CD1 3.83Å; F138-F140 HydrophobicContact CD2-CG 4.5Å; F138-F140 HydrophobicContact CE2-CB 4.49Å; F138-F140 AromaticContact CE2-CD1 3.76Å; F138-F140 HydrophobicContact CE2-CD1 3.76Å; F138-F140 HydrophobicContact CE2-CE1 4.35Å; F138-F140 HydrophobicContact CE2-CG 4.37Å; F138-R361 HydrophobicContact CD2-CB 4.36Å; F138-R361 HydrophobicContact CD2-CG 4.05Å; F138-R361 HydrophobicContact CE2-CB 3.71Å; F138-R361 HydrophobicContact CE2-CG 3.9Å; F138-R361 HydrophobicContact CZ-CB 4.26Å
139D91.8Very high94.9Very high111 Ų11149.7 Ų49.759%0.59424%0.237SC*.  trans-81143.4168-77.6-43000111.8R135R135-D139 IonicContact NH1-OD1 3.82Å; R135-D139 PolarHBondContact NH1-OD1 3.49Å
140F93.2Very high94.8Very high12 Ų1245 Ų455%0.05322%0.219CC..  trans-154.2161.7176.165.7-85.6000111.3F131 M134 R135 F138 N144 V145 F166 R361F131-F140 HydrophobicContact CD2-CE2 4.16Å; F131-F140 AromaticContact CD2-CZ 3.57Å; F131-F140 HydrophobicContact CD2-CZ 3.57Å; F131-F140 HydrophobicContact CE2-CE2 4.26Å; F131-F140 AromaticContact CE2-CZ 3.8Å; F131-F140 HydrophobicContact CE2-CZ 3.8Å; M134-F140 HydrophobicContact CB-CD1 4.22Å; M134-F140 HydrophobicContact CB-CE1 3.47Å; M134-F140 VanDerWaalsContact CB-CE1 3.47Å; M134-F140 HydrophobicContact CB-CZ 3.97Å; M134-F140 HydrophobicContact CE-CD1 4.38Å; M134-F140 HydrophobicContact CE-CD2 4.44Å; M134-F140 HydrophobicContact CE-CE1 4.25Å; M134-F140 HydrophobicContact CE-CE2 4.33Å; M134-F140 HydrophobicContact CE-CG 4.47Å; M134-F140 HydrophobicContact CE-CZ 4.21Å; R135-F140 HydrophobicContact CG-CE1 3.72Å; R135-F140 HydrophobicContact CG-CZ 4.16Å; R135-F140 VanDerWaalsContact CZ-O 3.25Å; R135-F140 PolarHBondContact NH1-O 3.11Å; R135-F140 PolarHBondContact NH2-O 3.39Å; F138-F140 HydrophobicContact CD2-CB 4.35Å; F138-F140 AromaticContact CD2-CD1 3.83Å; F138-F140 HydrophobicContact CD2-CD1 3.83Å; F138-F140 HydrophobicContact CD2-CG 4.5Å; F138-F140 HydrophobicContact CE2-CB 4.49Å; F138-F140 AromaticContact CE2-CD1 3.76Å; F138-F140 HydrophobicContact CE2-CD1 3.76Å; F138-F140 HydrophobicContact CE2-CE1 4.35Å; F138-F140 HydrophobicContact CE2-CG 4.37Å; F140-N144 HydrophobicContact CB-CB 4.15Å; F140-V145 HydrophobicContact CD2-CG2 3.78Å; F140-V145 HydrophobicContact CE2-CG2 4.06Å; F140-F166 AromaticContact CE2-CE1 3.7Å; F140-F166 HydrophobicContact CE2-CE1 3.7Å; F140-F166 AromaticContact CE2-CZ 3.66Å; F140-F166 HydrophobicContact CE2-CZ 3.66Å; F140-F166 HydrophobicContact CZ-CE1 4.23Å; F140-F166 AromaticContact CZ-CZ 3.85Å; F140-F166 HydrophobicContact CZ-CZ 3.85Å; F140-R361 HydrophobicContact CB-CB 4.19Å; F140-R361 HydrophobicContact CB-CG 3.91Å
141T92Very high94.6Very high78 Ų7847.1 Ų47.148%0.47923%0.234SC..  trans-113.5170.9167.469.50000109.4E143 N144T141-E143 PolarHBondContact O-N 2.8Å; T141-E143 PolarHBondContact OG1-N 3.42Å; T141-N144 PolarHBondContact N-OD1 2.87Å; T141-N144 WeakPolarHBondContact O-CB 3.43Å; T141-N144 PolarHBondContact O-N 3.04Å; T141-N144 PolarHBondContact O-OD1 2.9Å; T141-N144 PolarHBondContact OG1-OD1 2.81Å
142I90.9Very high94.4Very high27 Ų2747.1 Ų47.114%0.13824%0.236CC..G310 helixtrans-61.3-25.3177.2-162.164.3000112.6N144 V145 F147 Y163 I167 K206 K207I142-N144 PolarHBondContact O-N 2.9Å; I142-V145 PolarHBondContact O-N 2.82Å; I142-V145 VanDerWaalsContact O-N 3.11Å; I142-V145 VanDerWaalsContact O-O 3.05Å; I142-F147 HydrophobicContact CD1-CE2 3.67Å; I142-F147 HydrophobicContact CD1-CZ 4.06Å; I142-Y163 HydrophobicContact CD1-CE2 3.69Å; I142-Y163 HydrophobicContact CG1-CE2 4.05Å; I142-I167 HydrophobicContact CD1-CG2 4.07Å; I142-K206 HydrophobicContact CG2-CB 4.13Å; I142-K207 HydrophobicContact CG1-CB 3.9Å; I142-K207 HydrophobicContact CG1-CD 4.38Å; I142-K207 WeakPolarHBondContact O-CD 3.48Å; I142-K207 PolarHBondContact O-NZ 2.99Å
143E91.8Very high94Very high123 Ų12346 Ų4658%0.57523%0.229SC*.G310 helixtrans-64.4-29.4176.4-60.1-48.7137.500112.5T141 V145 K207T141-E143 PolarHBondContact O-N 2.8Å; T141-E143 PolarHBondContact OG1-N 3.42Å; E143-V145 PolarHBondContact O-N 3.31Å; E143-K207 PolarHBondContact O-NZ 3.32Å; E143-K207 VanDerWaalsContact O-NZ 3.07Å
144N95.1Very high93.9Very high10 Ų1045.7 Ų45.75%0.05323%0.226CC..G310 helixtrans-76.7-2.2177.8-55.4108.6000113.7F140 T141 I142 P357 L359 H360 R361 G362F140-N144 HydrophobicContact CB-CB 4.15Å; T141-N144 PolarHBondContact N-OD1 2.87Å; T141-N144 WeakPolarHBondContact O-CB 3.43Å; T141-N144 PolarHBondContact O-N 3.04Å; T141-N144 PolarHBondContact O-OD1 2.9Å; T141-N144 PolarHBondContact OG1-OD1 2.81Å; I142-N144 PolarHBondContact O-N 2.9Å; N144-P357 PolarHBondContact ND2-O 2.81Å; N144-L359 WeakPolarHBondContact CB-O 3.24Å; N144-L359 PolarHBondContact ND2-O 3.01Å; N144-H360 PolarHBondContact O-CD2 3.06Å; N144-R361 HydrophobicContact CB-CB 4.02Å; N144-R361 HydrophobicContact CB-CG 3.89Å; N144-R361 PolarHBondContact O-N 3.1Å; N144-G362 PolarHBondContact O-N 2.88Å
145V96.6Very high93.8Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-127.8130.3-171.3-178.30000110.7M134 F140 I142 E143 F147 F166 K207 G362 F364M134-V145 HydrophobicContact CE-CG2 4.02Å; F140-V145 HydrophobicContact CD2-CG2 3.78Å; F140-V145 HydrophobicContact CE2-CG2 4.06Å; I142-V145 PolarHBondContact O-N 2.82Å; I142-V145 VanDerWaalsContact O-N 3.11Å; I142-V145 VanDerWaalsContact O-O 3.05Å; E143-V145 PolarHBondContact O-N 3.31Å; V145-F147 HydrophobicContact CB-CE2 4.23Å; V145-F147 HydrophobicContact CB-CZ 4.48Å; V145-F147 HydrophobicContact CG1-CD2 4.42Å; V145-F147 HydrophobicContact CG1-CE1 4.29Å; V145-F147 HydrophobicContact CG1-CE2 3.65Å; V145-F147 HydrophobicContact CG1-CZ 3.58Å; V145-F166 HydrophobicContact CB-CE1 4.42Å; V145-F166 HydrophobicContact CG1-CE1 4.03Å; V145-F166 HydrophobicContact CG1-CZ 4.12Å; V145-F166 HydrophobicContact CG2-CE1 4.12Å; V145-F166 HydrophobicContact CG2-CZ 4.13Å; V145-K207 WeakPolarHBondContact O-CD 3.33Å; V145-K207 WeakPolarHBondContact O-CE 3.44Å; V145-K207 PolarHBondContact O-NZ 3.3Å; V145-G362 CarbonylContact C-O 3.53Å; V145-G362 VanDerWaalsContact CA-O 3.31Å; V145-G362 WeakPolarHBondContact CA-O 3.48Å; V145-F364 HydrophobicContact CG1-CD2 3.6Å; V145-F364 HydrophobicContact CG1-CE2 3.45Å; V145-F364 VanDerWaalsContact CG1-CE2 3.45Å
146N97.1Very high93.7Very high41 Ų4142.8 Ų42.822%0.21922%0.217CC..EExtended strand (participates in β ladder)trans-108.6143.5179-65.9-32.2000111.6Y148 K207 G362 S363 F364N146-Y148 HydrophobicContact CB-CD2 4.42Å; N146-Y148 HydrophobicContact CB-CE2 3.52Å; N146-K207 WeakPolarHBondContact OD1-CE 3.38Å; N146-K207 PolarHBondContact OD1-NZ 2.79Å; N146-G362 PolarHBondContact N-O 3.31Å; N146-S363 CarbonylContact O-C 3.53Å; N146-S363 WeakPolarHBondContact O-CA 3.43Å; N146-F364 PolarHBondContact O-N 3.27Å
147F97.5Very high93.5Very high2 Ų235.9 Ų35.91%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-124128.3177.8-58.5-92.3000109.5I142 V145 F162 Y163 F166 I209 T210 F364 F366I142-F147 HydrophobicContact CD1-CE2 3.67Å; I142-F147 HydrophobicContact CD1-CZ 4.06Å; V145-F147 HydrophobicContact CB-CE2 4.23Å; V145-F147 HydrophobicContact CB-CZ 4.48Å; V145-F147 HydrophobicContact CG1-CD2 4.42Å; V145-F147 HydrophobicContact CG1-CE1 4.29Å; V145-F147 HydrophobicContact CG1-CE2 3.65Å; V145-F147 HydrophobicContact CG1-CZ 3.58Å; F147-F162 HydrophobicContact CE1-CD1 4.03Å; F147-F162 HydrophobicContact CE1-CE1 4.08Å; F147-Y163 HydrophobicContact CD1-CD2 4.24Å; F147-Y163 AromaticContact CD2-CD2 3.8Å; F147-Y163 HydrophobicContact CD2-CD2 3.8Å; F147-Y163 HydrophobicContact CD2-CE2 4.06Å; F147-Y163 HydrophobicContact CE1-CD2 4Å; F147-Y163 AromaticContact CE2-CD2 3.55Å; F147-Y163 HydrophobicContact CE2-CD2 3.55Å; F147-Y163 AromaticContact CE2-CE2 3.68Å; F147-Y163 HydrophobicContact CE2-CE2 3.68Å; F147-Y163 HydrophobicContact CG-CD2 4.15Å; F147-Y163 AromaticContact CZ-CD2 3.65Å; F147-Y163 HydrophobicContact CZ-CD2 3.65Å; F147-Y163 HydrophobicContact CZ-CE2 4.13Å; F147-F166 HydrophobicContact CE1-CD1 4.41Å; F147-F166 AromaticContact CZ-CD1 3.8Å; F147-F166 HydrophobicContact CZ-CD1 3.8Å; F147-F166 HydrophobicContact CZ-CE1 4.09Å; F147-F166 HydrophobicContact CZ-CG 4.37Å; F147-I209 HydrophobicContact CB-CB 4.47Å; F147-I209 HydrophobicContact CB-CG1 3.97Å; F147-I209 HydrophobicContact CB-CG2 4.5Å; F147-I209 WeakPolarHBondContact O-CA 3.39Å; F147-T210 PolarHBondContact O-N 2.8Å; F147-F364 CarbonylContact C-O 3.54Å; F147-F364 WeakPolarHBondContact CA-O 3.41Å; F147-F364 HydrophobicContact CD1-CB 3.91Å; F147-F364 HydrophobicContact CD1-CD2 4.02Å; F147-F364 HydrophobicContact CD1-CG 4.32Å; F147-F364 HydrophobicContact CE1-CB 4.29Å; F147-F364 AromaticContact CE1-CD2 3.62Å; F147-F364 HydrophobicContact CE1-CD2 3.62Å; F147-F364 HydrophobicContact CE1-CE2 4.35Å; F147-F364 HydrophobicContact CE1-CG 4.2Å; F147-F364 HydrophobicContact CZ-CD2 4.17Å; F147-F366 HydrophobicContact CD1-CE2 4.33Å
148Y98.1Very high93.7Very high35 Ų3532.1 Ų32.114%0.13717%0.169CC..EExtended strand (participates in β ladder)trans-128.1142.8-177.8-56-83.7000110.4N146 T210 F364 W365 F366N146-Y148 HydrophobicContact CB-CD2 4.42Å; N146-Y148 HydrophobicContact CB-CE2 3.52Å; Y148-T210 CarbonylContact C-O 3.43Å; Y148-T210 WeakPolarHBondContact CA-O 3.4Å; Y148-T210 HydrophobicContact CD1-CG2 4.09Å; Y148-T210 HydrophobicContact CE1-CG2 4.32Å; Y148-F364 PolarHBondContact N-O 3.16Å; Y148-W365 HydrophobicContact CD1-CE3 4.3Å; Y148-W365 HydrophobicContact CD1-CH2 4.46Å; Y148-W365 AromaticContact CD1-CZ3 3.9Å; Y148-W365 HydrophobicContact CD1-CZ3 3.9Å; Y148-W365 AromaticContact CD2-CD2 3.57Å; Y148-W365 HydrophobicContact CD2-CD2 3.57Å; Y148-W365 AromaticContact CD2-CE2 3.78Å; Y148-W365 AromaticContact CD2-CE3 3.43Å; Y148-W365 HydrophobicContact CD2-CE3 3.43Å; Y148-W365 VanDerWaalsContact CD2-CE3 3.43Å; Y148-W365 HydrophobicContact CD2-CG 4.33Å; Y148-W365 AromaticContact CD2-CH2 3.73Å; Y148-W365 HydrophobicContact CD2-CH2 3.73Å; Y148-W365 AromaticContact CD2-CZ2 3.89Å; Y148-W365 HydrophobicContact CD2-CZ2 3.89Å; Y148-W365 AromaticContact CD2-CZ3 3.49Å; Y148-W365 HydrophobicContact CD2-CZ3 3.49Å; Y148-W365 VanDerWaalsContact CD2-CZ3 3.49Å; Y148-W365 HydrophobicContact CE1-CH2 4.43Å; Y148-W365 HydrophobicContact CE1-CZ3 4.29Å; Y148-W365 HydrophobicContact CE2-CD2 4.31Å; Y148-W365 HydrophobicContact CE2-CE3 4.23Å; Y148-W365 AromaticContact CE2-CH2 3.66Å; Y148-W365 HydrophobicContact CE2-CH2 3.66Å; Y148-W365 AromaticContact CE2-CZ2 3.77Å; Y148-W365 HydrophobicContact CE2-CZ2 3.77Å; Y148-W365 AromaticContact CE2-CZ3 3.9Å; Y148-W365 HydrophobicContact CE2-CZ3 3.9Å; Y148-W365 HydrophobicContact CG-CD2 4.06Å; Y148-W365 AromaticContact CG-CE3 3.46Å; Y148-W365 HydrophobicContact CG-CE3 3.46Å; Y148-W365 VanDerWaalsContact CG-CE3 3.46Å; Y148-W365 HydrophobicContact CG-CH2 4.13Å; Y148-W365 AromaticContact CG-CZ3 3.48Å; Y148-W365 HydrophobicContact CG-CZ3 3.48Å; Y148-W365 VanDerWaalsContact CG-CZ3 3.48Å; Y148-W365 CarbonylContact O-C 3.57Å; Y148-W365 WeakPolarHBondContact O-CA 3.45Å; Y148-F366 VanDerWaalsContact O-CD2 3.22Å; Y148-F366 WeakPolarHBondContact O-CD2 3.41Å; Y148-F366 PolarHBondContact O-N 3.28Å
149S97.4Very high93.8Very high0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-141.6153.3176.3-169.30000111.8C155 I156 T210 I211 N212S149-C155 WeakPolarHBondContact OG-CB 3.26Å; S149-C155 PolarHBondContact OG-O 3.19Å; S149-I156 PolarHBondContact OG-N 2.83Å; S149-T210 PolarHBondContact N-O 2.73Å; S149-I211 CarbonylContact O-C 3.49Å; S149-I211 VanDerWaalsContact O-CA 3.26Å; S149-I211 WeakPolarHBondContact O-CA 3.38Å; S149-N212 PolarHBondContact O-N 3.19Å
150S96.4Very high93.8Very high0 Ų029.7 Ų29.70%015%0.151CC..  trans-67.4159.3161.875.60000110.1I152 C155 F366 H368S150-I152 PolarHBondContact O-N 2.78Å; S150-C155 WeakPolarHBondContact OG-CB 3.2Å; S150-C155 PolarHBondContact OG-SG 2.81Å; S150-C155 VanDerWaalsContact OG-SG 3.35Å; S150-F366 PolarHBondContact N-O 2.97Å; S150-H368 PolarHBondContact OG-NE2 2.97Å
151S93.1Very high93.7Very high49 Ų4929.2 Ų29.234%0.34315%0.149SC..SBendtrans-71.819.218073.80000114.5N213S151-N213 VanDerWaalsContact CB-ND2 3.33Å; S151-N213 WeakPolarHBondContact CB-ND2 3.33Å; S151-N213 PolarHBondContact N-OD1 2.84Å; S151-N213 PolarHBondContact OG-ND2 2.98Å; S151-N213 PolarHBondContact OG-OD1 3.01Å
152I92.1Very high93.9Very high39 Ų3925.5 Ų25.520%0.213%0.126CC..  trans-98.1128.8-177-64.7-67.2000109.4S150 R154 C155 I156S150-I152 PolarHBondContact O-N 2.78Å; I152-R154 HydrophobicContact CG2-CG 3.58Å; I152-R154 VanDerWaalsContact CG2-CZ 3.48Å; I152-R154 VanDerWaalsContact CG2-NH1 3.3Å; I152-R154 PolarHBondContact O-N 3.47Å; I152-C155 HydrophobicContact CB-CB 4.45Å; I152-C155 WeakPolarHBondContact O-CA 3.39Å; I152-C155 VanDerWaalsContact O-CB 3.27Å; I152-C155 WeakPolarHBondContact O-CB 3.41Å; I152-C155 PolarHBondContact O-N 2.95Å; I152-I156 PolarHBondContact O-N 2.89Å
153D88.2Confident94Very high59 Ų5924.3 Ų24.332%0.31612%0.12SC..Hα-helixtrans-48.7-51.7-172.3-61.70.4000112.8C155 I156 A157 Y181D153-C155 VanDerWaalsContact C-N 3.26Å; D153-C155 PolarHBondContact O-N 3.39Å; D153-I156 PolarHBondContact O-N 3.46Å; D153-I156 VanDerWaalsContact O-N 3.12Å; D153-A157 WeakPolarHBondContact O-CB 3.08Å; D153-A157 PolarHBondContact O-N 3.44Å; D153-Y181 HydrophobicContact CB-CE2 4.36Å; D153-Y181 VanDerWaalsContact OD2-CE2 3.23Å; D153-Y181 WeakPolarHBondContact OD2-CE2 3.42Å; D153-Y181 PolarHBondContact OD2-OH 3.25Å
154R92.3Very high93.9Very high37 Ų3718.7 Ų18.714%0.149%0.094CC..Hα-helixtrans-58.9-29.5175.558.5168.4-174.5-70.5-7.8115.1H66 K113 L115 I152 S158 H368H66-R154 HydrophobicContact CB-CG 4.33Å; H66-R154 PolarHBondContact CD2-NE 3.12Å; H66-R154 PolarHBondContact NE2-NE 3.29Å; H66-R154 VanDerWaalsContact NE2-NE 3.17Å; K113-R154 WeakPolarHBondContact O-CD 3.29Å; L115-R154 HydrophobicContact CB-CB 4.21Å; I152-R154 HydrophobicContact CG2-CG 3.58Å; I152-R154 VanDerWaalsContact CG2-CZ 3.48Å; I152-R154 VanDerWaalsContact CG2-NH1 3.3Å; I152-R154 PolarHBondContact O-N 3.47Å; R154-S158 VanDerWaalsContact O-CB 3.3Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 2.93Å; R154-S158 PolarHBondContact O-OG 2.75Å; R154-H368 PolarHBondContact NH2-CE1 2.68Å; R154-H368 VanDerWaalsContact NH2-CE1 3.33Å; R154-H368 PolarHBondContact NH2-ND1 2.76Å; R154-H368 VanDerWaalsContact NH2-ND1 3.13Å
155C94.5Very high93.7Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-76.8-41.5175.9-63.60000110.5S149 S150 I152 D153 S158 G159 F366 G367 H368S149-C155 WeakPolarHBondContact OG-CB 3.26Å; S149-C155 PolarHBondContact OG-O 3.19Å; S150-C155 WeakPolarHBondContact OG-CB 3.2Å; S150-C155 PolarHBondContact OG-SG 2.81Å; S150-C155 VanDerWaalsContact OG-SG 3.35Å; I152-C155 HydrophobicContact CB-CB 4.45Å; I152-C155 WeakPolarHBondContact O-CA 3.39Å; I152-C155 VanDerWaalsContact O-CB 3.27Å; I152-C155 WeakPolarHBondContact O-CB 3.41Å; I152-C155 PolarHBondContact O-N 2.95Å; D153-C155 VanDerWaalsContact C-N 3.26Å; D153-C155 PolarHBondContact O-N 3.39Å; C155-S158 WeakPolarHBondContact O-CB 3.34Å; C155-S158 PolarHBondContact O-N 2.99Å; C155-G159 PolarHBondContact O-N 3.49Å; C155-F366 HydrophobicContact CB-CB 4.43Å; C155-G367 PolarHBondContact SG-O 2.94Å; C155-H368 PolarHBondContact SG-CE1 3.45Å; C155-H368 PolarHBondContact SG-NE2 3.16Å
156I92.3Very high93.5Very high34 Ų3418.3 Ų18.317%0.1749%0.092CC..Hα-helixtrans-62-47.2173.8-62.9169.1000110.1S149 I152 D153 S158 G159 R160 I211S149-I156 PolarHBondContact OG-N 2.83Å; I152-I156 PolarHBondContact O-N 2.89Å; D153-I156 PolarHBondContact O-N 3.46Å; D153-I156 VanDerWaalsContact O-N 3.12Å; I156-S158 VanDerWaalsContact C-N 3.34Å; I156-S158 PolarHBondContact O-N 2.96Å; I156-G159 PolarHBondContact O-N 3.2Å; I156-G159 VanDerWaalsContact O-N 3.16Å; I156-R160 WeakPolarHBondContact O-CG 3.31Å; I156-R160 PolarHBondContact O-N 2.94Å; I156-I211 HydrophobicContact CD1-CD1 3.85Å; I156-I211 HydrophobicContact CG1-CD1 3.86Å
157A89.3Confident93.1Very high9 Ų918.9 Ų18.97%0.07410%0.095CC..Hα-helixtrans-60.1-41.9175.600000112.1L115 F120 D153 R160 A161L115-A157 HydrophobicContact CB-CB 4.22Å; L115-A157 HydrophobicContact CD2-CB 3.82Å; F120-A157 HydrophobicContact CE1-CB 3.93Å; F120-A157 HydrophobicContact CZ-CB 3.97Å; D153-A157 WeakPolarHBondContact O-CB 3.08Å; D153-A157 PolarHBondContact O-N 3.44Å; A157-R160 PolarHBondContact O-N 3.03Å; A157-A161 WeakPolarHBondContact O-CB 3.28Å; A157-A161 PolarHBondContact O-N 3.27Å
158S95.8Very high92.6Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-60.7-45.8173.6-63.90000111.1H66 G67 L115 H123 R154 C155 I156 R160 A161 F162H66-S158 WeakPolarHBondContact CA-OG 3.24Å; G67-S158 PolarHBondContact N-OG 3.12Å; L115-S158 WeakPolarHBondContact CD1-OG 3.35Å; H123-S158 WeakPolarHBondContact CB-O 3.29Å; H123-S158 WeakPolarHBondContact CD2-CB 3.5Å; H123-S158 PolarHBondContact CD2-OG 3.02Å; R154-S158 VanDerWaalsContact O-CB 3.3Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 2.93Å; R154-S158 PolarHBondContact O-OG 2.75Å; C155-S158 WeakPolarHBondContact O-CB 3.34Å; C155-S158 PolarHBondContact O-N 2.99Å; I156-S158 VanDerWaalsContact C-N 3.34Å; I156-S158 PolarHBondContact O-N 2.96Å; S158-R160 PolarHBondContact O-N 3.46Å; S158-A161 PolarHBondContact O-N 2.99Å; S158-F162 WeakPolarHBondContact O-CB 3.34Å; S158-F162 PolarHBondContact O-N 3.37Å
159G94.7Very high91.8Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-63.8-38.6178.300000113.7C155 I156 F162 Y163 I209 F366C155-G159 PolarHBondContact O-N 3.49Å; I156-G159 PolarHBondContact O-N 3.2Å; I156-G159 VanDerWaalsContact O-N 3.16Å; G159-F162 PolarHBondContact O-N 3.29Å; G159-Y163 WeakPolarHBondContact O-CB 3.41Å; G159-Y163 PolarHBondContact O-N 2.82Å; G159-I209 VanDerWaalsContact C-CD1 3.47Å; G159-F366 VanDerWaalsContact CA-CE2 3.47Å
160R91.8Very high90.9Very high69 Ų6925.5 Ų25.526%0.2614%0.137SC..Hα-helixtrans-65.6-45.2174.3-75.2178.2175.1159.2-2.8111.8I156 A157 S158 F162 Y163 N164 C182 Y205 I209I156-R160 WeakPolarHBondContact O-CG 3.31Å; I156-R160 PolarHBondContact O-N 2.94Å; A157-R160 PolarHBondContact O-N 3.03Å; S158-R160 PolarHBondContact O-N 3.46Å; R160-F162 VanDerWaalsContact C-N 3.34Å; R160-F162 PolarHBondContact O-N 3.23Å; R160-Y163 PolarHBondContact O-N 2.83Å; R160-N164 PolarHBondContact O-N 2.96Å; R160-C182 PolarHBondContact NH1-O 2.83Å; R160-Y205 HydrophobicContact CB-CE1 4.27Å; R160-Y205 HydrophobicContact CG-CE1 4.31Å; R160-I209 HydrophobicContact CG-CD1 3.91Å
161A91Very high89.9Confident2 Ų230.2 Ų30.22%0.01717%0.166CC..Hα-helixtrans-60.7-44.6175.700000111.7F120 H123 D124 A157 S158 N164 G165 I172F120-A161 HydrophobicContact CB-CB 4.42Å; F120-A161 HydrophobicContact CD1-CB 3.9Å; H123-A161 HydrophobicContact CB-CB 3.86Å; D124-A161 WeakPolarHBondContact CA-O 3.36Å; A157-A161 WeakPolarHBondContact O-CB 3.28Å; A157-A161 PolarHBondContact O-N 3.27Å; S158-A161 PolarHBondContact O-N 2.99Å; A161-N164 WeakPolarHBondContact O-CB 3.06Å; A161-N164 PolarHBondContact O-N 3.09Å; A161-G165 PolarHBondContact O-N 3.35Å; A161-G165 VanDerWaalsContact O-N 3.14Å; A161-I172 HydrophobicContact CB-CD1 3.9Å
162F95.3Very high88.6Confident0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-59.3-49.8173.8-176.5-78.6000111.6L64 H123 L126 G127 F130 F147 S158 G159 R160 N164 G165 F166 F364 F366L64-F162 HydrophobicContact CD2-CD2 3.93Å; L64-F162 HydrophobicContact CD2-CE2 3.82Å; H123-F162 HydrophobicContact CB-CB 4.14Å; H123-F162 VanDerWaalsContact O-CA 3.27Å; H123-F162 WeakPolarHBondContact O-CA 3.29Å; L126-F162 HydrophobicContact CB-CD2 3.9Å; L126-F162 HydrophobicContact CB-CE2 3.91Å; G127-F162 WeakPolarHBondContact CA-O 3.25Å; F130-F162 HydrophobicContact CB-CZ 3.98Å; F130-F162 AromaticContact CD2-CE2 3.8Å; F130-F162 HydrophobicContact CD2-CE2 3.8Å; F130-F162 AromaticContact CD2-CZ 3.92Å; F130-F162 HydrophobicContact CD2-CZ 3.92Å; F130-F162 HydrophobicContact CG-CZ 4.26Å; F147-F162 HydrophobicContact CE1-CD1 4.03Å; F147-F162 HydrophobicContact CE1-CE1 4.08Å; S158-F162 WeakPolarHBondContact O-CB 3.34Å; S158-F162 PolarHBondContact O-N 3.37Å; G159-F162 PolarHBondContact O-N 3.29Å; R160-F162 VanDerWaalsContact C-N 3.34Å; R160-F162 PolarHBondContact O-N 3.23Å; F162-N164 VanDerWaalsContact C-N 3.29Å; F162-N164 PolarHBondContact O-N 2.84Å; F162-G165 PolarHBondContact O-N 2.9Å; F162-F166 HydrophobicContact CD1-CB 4.13Å; F162-F166 HydrophobicContact CE1-CB 3.98Å; F162-F166 AromaticContact CE1-CD2 3.75Å; F162-F166 HydrophobicContact CE1-CD2 3.75Å; F162-F166 HydrophobicContact CE1-CG 4.07Å; F162-F166 HydrophobicContact CZ-CD2 4.2Å; F162-F166 VanDerWaalsContact O-CB 3.22Å; F162-F166 WeakPolarHBondContact O-CB 3.46Å; F162-F166 PolarHBondContact O-N 2.89Å; F162-F364 HydrophobicContact CE1-CB 4.31Å; F162-F364 AromaticContact CE1-CD1 3.56Å; F162-F364 HydrophobicContact CE1-CD1 3.56Å; F162-F364 HydrophobicContact CE1-CD2 4.01Å; F162-F364 AromaticContact CE1-CE1 3.82Å; F162-F364 HydrophobicContact CE1-CE1 3.82Å; F162-F364 HydrophobicContact CE1-CE2 4.21Å; F162-F364 AromaticContact CE1-CG 3.68Å; F162-F364 HydrophobicContact CE1-CG 3.68Å; F162-F364 HydrophobicContact CE1-CZ 4.13Å; F162-F364 HydrophobicContact CE2-CD1 4.23Å; F162-F364 HydrophobicContact CE2-CE1 4.45Å; F162-F364 AromaticContact CZ-CD1 3.32Å; F162-F364 HydrophobicContact CZ-CD1 3.32Å; F162-F364 AromaticContact CZ-CE1 3.38Å; F162-F364 HydrophobicContact CZ-CE1 3.38Å; F162-F364 AromaticContact CZ-CG 3.96Å; F162-F364 HydrophobicContact CZ-CG 3.96Å; F162-F364 HydrophobicContact CZ-CZ 4.04Å; F162-F366 HydrophobicContact CB-CE1 3.63Å; F162-F366 HydrophobicContact CB-CZ 3.52Å; F162-F366 AromaticContact CD1-CZ 3.76Å; F162-F366 HydrophobicContact CD1-CZ 3.76Å; F162-F366 HydrophobicContact CD2-CE1 4.09Å; F162-F366 HydrophobicContact CD2-CZ 4.12Å; F162-F366 AromaticContact CG-CE1 3.84Å; F162-F366 HydrophobicContact CG-CE1 3.84Å; F162-F366 AromaticContact CG-CZ 3.53Å; F162-F366 HydrophobicContact CG-CZ 3.53Å
163Y93.5Very high87.2Confident2 Ų233.9 Ų33.91%0.00818%0.175CC..Hα-helixtrans-56.9-45178.8-177.7-72.9000110.9I142 F147 G159 R160 G165 F166 I167 Y205 K206 K207I142-Y163 HydrophobicContact CD1-CE2 3.69Å; I142-Y163 HydrophobicContact CG1-CE2 4.05Å; F147-Y163 HydrophobicContact CD1-CD2 4.24Å; F147-Y163 AromaticContact CD2-CD2 3.8Å; F147-Y163 HydrophobicContact CD2-CD2 3.8Å; F147-Y163 HydrophobicContact CD2-CE2 4.06Å; F147-Y163 HydrophobicContact CE1-CD2 4Å; F147-Y163 AromaticContact CE2-CD2 3.55Å; F147-Y163 HydrophobicContact CE2-CD2 3.55Å; F147-Y163 AromaticContact CE2-CE2 3.68Å; F147-Y163 HydrophobicContact CE2-CE2 3.68Å; F147-Y163 HydrophobicContact CG-CD2 4.15Å; F147-Y163 AromaticContact CZ-CD2 3.65Å; F147-Y163 HydrophobicContact CZ-CD2 3.65Å; F147-Y163 HydrophobicContact CZ-CE2 4.13Å; G159-Y163 WeakPolarHBondContact O-CB 3.41Å; G159-Y163 PolarHBondContact O-N 2.82Å; R160-Y163 PolarHBondContact O-N 2.83Å; Y163-G165 PolarHBondContact O-N 3.02Å; Y163-F166 CarbonylContact O-C 3.45Å; Y163-F166 WeakPolarHBondContact O-CB 3.37Å; Y163-F166 PolarHBondContact O-N 3.21Å; Y163-F166 VanDerWaalsContact O-N 3.11Å; Y163-I167 HydrophobicContact CD1-CD1 4.09Å; Y163-I167 HydrophobicContact CD1-CG1 4.17Å; Y163-I167 HydrophobicContact CD1-CG2 4Å; Y163-I167 HydrophobicContact CE1-CB 4.43Å; Y163-I167 HydrophobicContact CE1-CD1 3.63Å; Y163-I167 HydrophobicContact CE1-CG1 4.06Å; Y163-I167 HydrophobicContact CE1-CG2 3.57Å; Y163-I167 WeakPolarHBondContact O-CG1 3.07Å; Y163-I167 PolarHBondContact O-N 3.35Å; Y163-Y205 AromaticContact CD1-CD1 3.26Å; Y163-Y205 HydrophobicContact CD1-CD1 3.26Å; Y163-Y205 AromaticContact CD1-CE1 3.46Å; Y163-Y205 HydrophobicContact CD1-CE1 3.46Å; Y163-Y205 VanDerWaalsContact CD1-CE1 3.46Å; Y163-Y205 HydrophobicContact CD1-CG 4.41Å; Y163-Y205 HydrophobicContact CD2-CD1 4.35Å; Y163-Y205 AromaticContact CE1-CD1 3.5Å; Y163-Y205 HydrophobicContact CE1-CD1 3.5Å; Y163-Y205 VanDerWaalsContact CE1-CD1 3.5Å; Y163-Y205 HydrophobicContact CE1-CE1 4.13Å; Y163-Y205 HydrophobicContact CE1-CG 4.3Å; Y163-Y205 AromaticContact CG-CD1 3.74Å; Y163-Y205 HydrophobicContact CG-CD1 3.74Å; Y163-Y205 AromaticContact CG-CE1 3.91Å; Y163-Y205 HydrophobicContact CG-CE1 3.91Å; Y163-K206 PolarHBondContact OH-N 2.84Å; Y163-K207 HydrophobicContact CE2-CB 4.27Å; Y163-K207 PolarHBondContact OH-N 2.91Å
164N89.8Confident85.6Confident5 Ų532.3 Ų32.33%0.02717%0.168CC..Hα-helixtrans-55.5-51.8177.1-179.874.7000111.8D124 R160 A161 F162 F166 I167 N168 G169 P170 I172D124-N164 PolarHBondContact OD1-ND2 2.92Å; R160-N164 PolarHBondContact O-N 2.96Å; A161-N164 WeakPolarHBondContact O-CB 3.06Å; A161-N164 PolarHBondContact O-N 3.09Å; F162-N164 VanDerWaalsContact C-N 3.29Å; F162-N164 PolarHBondContact O-N 2.84Å; N164-F166 VanDerWaalsContact C-N 3.3Å; N164-F166 PolarHBondContact O-N 3.2Å; N164-I167 WeakPolarHBondContact O-CG1 3.22Å; N164-I167 PolarHBondContact O-N 3.19Å; N164-N168 PolarHBondContact O-N 3.46Å; N164-G169 WeakPolarHBondContact O-CA 3.2Å; N164-G169 PolarHBondContact O-N 2.61Å; N164-P170 PolarHBondContact ND2-O 3.31Å; N164-I172 HydrophobicContact CB-CD1 4.12Å
165G90.6Very high83.8Confident0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-61.9-38.9175.300000112.6D124 R128 A161 F162 Y163 I167 N168D124-G165 WeakPolarHBondContact O-CA 3.43Å; D124-G165 WeakPolarHBondContact OD1-CA 3.29Å; D124-G165 PolarHBondContact OD1-N 2.87Å; R128-G165 WeakPolarHBondContact CG-O 3.35Å; A161-G165 PolarHBondContact O-N 3.35Å; A161-G165 VanDerWaalsContact O-N 3.14Å; F162-G165 PolarHBondContact O-N 2.9Å; Y163-G165 PolarHBondContact O-N 3.02Å; G165-I167 PolarHBondContact O-N 3.03Å; G165-N168 WeakPolarHBondContact O-CA 3.43Å; G165-N168 PolarHBondContact O-N 3.33Å
166F93.3Very high81.6Confident1 Ų139.4 Ų39.40%0.00420%0.199CC..Hα-helixtrans-66.1-33.7-179.5-170.8-93.7000113G127 F130 F131 M134 F140 V145 F147 F162 Y163 N164 N168 F364G127-F166 WeakPolarHBondContact O-CA 3.36Å; G127-F166 WeakPolarHBondContact O-CD2 3.43Å; F130-F166 HydrophobicContact CB-CD2 4.41Å; F130-F166 HydrophobicContact CB-CE2 4.37Å; F131-F166 HydrophobicContact CB-CD2 3.83Å; F131-F166 HydrophobicContact CB-CE2 4.08Å; F131-F166 HydrophobicContact CB-CG 4.23Å; F131-F166 VanDerWaalsContact CB-O 3.29Å; F131-F166 WeakPolarHBondContact CB-O 3.43Å; F131-F166 HydrophobicContact CD2-CE1 4.45Å; F131-F166 WeakPolarHBondContact CD2-O 3.38Å; F131-F166 WeakPolarHBondContact CG-O 3.15Å; M134-F166 HydrophobicContact CE-CZ 4.16Å; M134-F166 HydrophobicContact SD-CE2 3.7Å; M134-F166 HydrophobicContact SD-CZ 3.69Å; F140-F166 AromaticContact CE2-CE1 3.7Å; F140-F166 HydrophobicContact CE2-CE1 3.7Å; F140-F166 AromaticContact CE2-CZ 3.66Å; F140-F166 HydrophobicContact CE2-CZ 3.66Å; F140-F166 HydrophobicContact CZ-CE1 4.23Å; F140-F166 AromaticContact CZ-CZ 3.85Å; F140-F166 HydrophobicContact CZ-CZ 3.85Å; V145-F166 HydrophobicContact CB-CE1 4.42Å; V145-F166 HydrophobicContact CG1-CE1 4.03Å; V145-F166 HydrophobicContact CG1-CZ 4.12Å; V145-F166 HydrophobicContact CG2-CE1 4.12Å; V145-F166 HydrophobicContact CG2-CZ 4.13Å; F147-F166 HydrophobicContact CE1-CD1 4.41Å; F147-F166 AromaticContact CZ-CD1 3.8Å; F147-F166 HydrophobicContact CZ-CD1 3.8Å; F147-F166 HydrophobicContact CZ-CE1 4.09Å; F147-F166 HydrophobicContact CZ-CG 4.37Å; F162-F166 HydrophobicContact CD1-CB 4.13Å; F162-F166 HydrophobicContact CE1-CB 3.98Å; F162-F166 AromaticContact CE1-CD2 3.75Å; F162-F166 HydrophobicContact CE1-CD2 3.75Å; F162-F166 HydrophobicContact CE1-CG 4.07Å; F162-F166 HydrophobicContact CZ-CD2 4.2Å; F162-F166 VanDerWaalsContact O-CB 3.22Å; F162-F166 WeakPolarHBondContact O-CB 3.46Å; F162-F166 PolarHBondContact O-N 2.89Å; Y163-F166 CarbonylContact O-C 3.45Å; Y163-F166 WeakPolarHBondContact O-CB 3.37Å; Y163-F166 PolarHBondContact O-N 3.21Å; Y163-F166 VanDerWaalsContact O-N 3.11Å; N164-F166 VanDerWaalsContact C-N 3.3Å; N164-F166 PolarHBondContact O-N 3.2Å; F166-N168 PolarHBondContact O-N 3.34Å; F166-F364 HydrophobicContact CD2-CE2 4.15Å; F166-F364 HydrophobicContact CD2-CZ 4.09Å; F166-F364 HydrophobicContact CE1-CE2 4.43Å; F166-F364 AromaticContact CE2-CE2 3.56Å; F166-F364 HydrophobicContact CE2-CE2 3.56Å; F166-F364 AromaticContact CE2-CZ 3.47Å; F166-F364 HydrophobicContact CE2-CZ 3.47Å; F166-F364 VanDerWaalsContact CE2-CZ 3.47Å; F166-F364 AromaticContact CZ-CE2 3.71Å; F166-F364 HydrophobicContact CZ-CE2 3.71Å; F166-F364 HydrophobicContact CZ-CZ 4.05Å
167I89.1Confident79.3Confident54 Ų5444.6 Ų44.628%0.27723%0.227SC..THydrogen-bonded Turntrans-86.911.6173.365.4163.7000112.9I142 Y163 N164 G165 G169 H204I142-I167 HydrophobicContact CD1-CG2 4.07Å; Y163-I167 HydrophobicContact CD1-CD1 4.09Å; Y163-I167 HydrophobicContact CD1-CG1 4.17Å; Y163-I167 HydrophobicContact CD1-CG2 4Å; Y163-I167 HydrophobicContact CE1-CB 4.43Å; Y163-I167 HydrophobicContact CE1-CD1 3.63Å; Y163-I167 HydrophobicContact CE1-CG1 4.06Å; Y163-I167 HydrophobicContact CE1-CG2 3.57Å; Y163-I167 WeakPolarHBondContact O-CG1 3.07Å; Y163-I167 PolarHBondContact O-N 3.35Å; N164-I167 WeakPolarHBondContact O-CG1 3.22Å; N164-I167 PolarHBondContact O-N 3.19Å; G165-I167 PolarHBondContact O-N 3.03Å; I167-G169 PolarHBondContact O-N 3.03Å; I167-H204 WeakPolarHBondContact CD1-CE1 3.37Å
168N86.1Confident76.9Confident108 Ų10849.7 Ų49.758%0.57824%0.244SC*.THydrogen-bonded Turntrans52.737.9-172.7-165.941.5000112.8R128 N164 G165 F166R128-N168 PolarHBondContact NH1-OD1 3.16Å; N164-N168 PolarHBondContact O-N 3.46Å; G165-N168 WeakPolarHBondContact O-CA 3.43Å; G165-N168 PolarHBondContact O-N 3.33Å; F166-N168 PolarHBondContact O-N 3.34Å
169G81.9Confident74.1Confident7 Ų753 Ų537%0.07227%0.265CS..PPolyproline II helixtrans-65.4172.6174.800000112.1R128 N164 I167R128-G169 PolarHBondContact NH1-O 3.44Å; R128-G169 VanDerWaalsContact NH1-O 3.17Å; R128-G169 PolarHBondContact NH2-O 3.41Å; N164-G169 WeakPolarHBondContact O-CA 3.2Å; N164-G169 PolarHBondContact O-N 2.61Å; I167-G169 PolarHBondContact O-N 3.03Å
170P78.3Confident71.6Confident61 Ų6155.3 Ų55.340%0.39628%0.277SS..PPolyproline II helixtrans-56.9141.2177.2-28.240.2000111.5N164 I172 L197N164-P170 PolarHBondContact ND2-O 3.31Å; P170-I172 PolarHBondContact O-N 2.98Å; P170-L197 HydrophobicContact CB-CD1 4.47Å; P170-L197 HydrophobicContact CB-CD2 4.01Å; P170-L197 HydrophobicContact CG-CD2 3.81Å
171T74.6Confident68.8Low98 Ų9857.6 Ų57.660%0.60129%0.286SS*.PPolyproline II helixtrans-58.9125.5-179.6-53.30000110.3K173T171-K173 PolarHBondContact O-N 3.47Å; T171-K173 VanDerWaalsContact O-N 3.17Å
172I67.1Low66.2Low11 Ų1160.5 Ų60.56%0.05631%0.306CS..PPolyproline II helixtrans-64.9118.7176.9-67.4166.5000108.8F120 D124 A161 N164 P170 P174 L193F120-I172 HydrophobicContact CB-CG2 4.05Å; D124-I172 HydrophobicContact CB-CD1 4.22Å; A161-I172 HydrophobicContact CB-CD1 3.9Å; N164-I172 HydrophobicContact CB-CD1 4.12Å; P170-I172 PolarHBondContact O-N 2.98Å; I172-P174 HydrophobicContact CG2-CB 4.48Å; I172-P174 WeakPolarHBondContact O-CD 3.28Å; I172-L193 HydrophobicContact CG2-CD2 4.06Å
173K61.9Low63.1Low154 Ų15462.4 Ų62.467%0.6733%0.326SS*.  trans-96.396.4164.7-68.3-173.5-177.1178.90108T171T171-K173 PolarHBondContact O-N 3.47Å; T171-K173 VanDerWaalsContact O-N 3.17Å
174P55.1Low60.1Low26 Ų2669.6 Ų69.617%0.16936%0.364CS..  trans-73.1139.8-177.830.7-36.3000111.6P117 Q121 I172P117-P174 HydrophobicContact CB-CB 3.41Å; P117-P174 VanDerWaalsContact CB-CB 3.41Å; P117-P174 HydrophobicContact CB-CG 3.5Å; P117-P174 HydrophobicContact CG-CB 3.94Å; P117-P174 HydrophobicContact CG-CG 4.49Å; P117-P174 WeakPolarHBondContact O-CG 3.23Å; Q121-P174 HydrophobicContact CG-CG 3.98Å; I172-P174 HydrophobicContact CG2-CB 4.48Å; I172-P174 WeakPolarHBondContact O-CD 3.28Å
175I54Low57.9Low67 Ų6777.3 Ų77.334%0.34441%0.405SS..  trans-105.6123.9178-57.6172.6000108.1N177 R178I175-N177 PolarHBondContact O-N 3.34Å; I175-R178 PolarHBondContact O-N 3Å; I175-R178 VanDerWaalsContact O-N 3.12Å
176W47.8Very low55.3Low120 Ų12085.3 Ų85.346%0.45544%0.443SS..THydrogen-bonded Turntrans-60.2-3.7-174.3-82.798.3000116.5L116 P117 A284L116-W176 HydrophobicContact CB-CH2 4.44Å; L116-W176 HydrophobicContact CB-CZ3 4.42Å; L116-W176 HydrophobicContact CD1-CZ3 4.39Å; L116-W176 HydrophobicContact CD2-CZ3 3.86Å; L116-W176 HydrophobicContact CG-CZ3 4.44Å; P117-W176 HydrophobicContact CB-CD2 4.19Å; P117-W176 HydrophobicContact CB-CH2 4.42Å; P117-W176 HydrophobicContact CB-CZ2 3.93Å; P117-W176 HydrophobicContact CG-CB 4.47Å; P117-W176 HydrophobicContact CG-CD2 3.55Å; P117-W176 HydrophobicContact CG-CE3 3.85Å; P117-W176 HydrophobicContact CG-CG 3.85Å; P117-W176 HydrophobicContact CG-CH2 4.36Å; P117-W176 HydrophobicContact CG-CZ2 4.12Å; P117-W176 HydrophobicContact CG-CZ3 4.26Å; W176-A284 HydrophobicContact CH2-CB 4.05Å
177N44.2Very low52.7Low143 Ų14392.7 Ų92.777%0.76548%0.481SS*.THydrogen-bonded Turntrans-127.812.7178.6-75.9-16.9000114.4I175I175-N177 PolarHBondContact O-N 3.34Å
178R40Very low50Low115 Ų11593.8 Ų93.843%0.43449%0.492SS..  trans-118.4111.5171.6-68.3-172.7-148.9-156.911109.4I175 L180 S190 I192I175-R178 PolarHBondContact O-N 3Å; I175-R178 VanDerWaalsContact O-N 3.12Å; R178-L180 PolarHBondContact O-N 3.14Å; R178-S190 WeakPolarHBondContact CD-O 3.33Å; R178-S190 PolarHBondContact NH1-O 2.94Å; R178-S190 VanDerWaalsContact NH1-O 3.09Å; R178-I192 PolarHBondContact NH1-O 2.59Å
179T36.5Very low47.6Very low70 Ų7095.9 Ų95.943%0.42950%0.502SS..  trans-55.3124.5153.741.80000107A111 E114 Y181A111-T179 HydrophobicContact CB-CG2 3.72Å; E114-T179 HydrophobicContact CG-CG2 4.17Å; T179-Y181 PolarHBondContact O-N 2.81Å
180L41Very low45.2Very low49 Ų4998.9 Ų98.926%0.25752%0.523SS..  trans-69.257.3162.5-113.3114.2000108.2F120 R178 C182 L193F120-L180 HydrophobicContact CD1-CD1 3.94Å; F120-L180 HydrophobicContact CD1-CD2 4.42Å; F120-L180 HydrophobicContact CE1-CB 3.49Å; F120-L180 VanDerWaalsContact CE1-CB 3.49Å; F120-L180 HydrophobicContact CE1-CD1 3.71Å; F120-L180 HydrophobicContact CE1-CD2 3.95Å; F120-L180 HydrophobicContact CE1-CG 3.91Å; F120-L180 HydrophobicContact CE2-CB 4.35Å; F120-L180 HydrophobicContact CE2-CD1 4.31Å; F120-L180 HydrophobicContact CG-CD1 4.39Å; F120-L180 HydrophobicContact CZ-CB 3.4Å; F120-L180 VanDerWaalsContact CZ-CB 3.4Å; F120-L180 HydrophobicContact CZ-CD1 3.93Å; F120-L180 HydrophobicContact CZ-CG 4.19Å; R178-L180 PolarHBondContact O-N 3.14Å; L180-C182 PolarHBondContact O-N 2.95Å; L180-L193 HydrophobicContact CD1-CD2 4.31Å
181Y34Very low43.4Very low117 Ų11799.4 Ų99.446%0.45953%0.527SS..  trans-84.298.9175.1-138.4-94.3000105.9D153 T179 G183 C191D153-Y181 HydrophobicContact CB-CE2 4.36Å; D153-Y181 VanDerWaalsContact OD2-CE2 3.23Å; D153-Y181 WeakPolarHBondContact OD2-CE2 3.42Å; D153-Y181 PolarHBondContact OD2-OH 3.25Å; T179-Y181 PolarHBondContact O-N 2.81Å; Y181-G183 VanDerWaalsContact C-N 3.26Å; Y181-G183 PolarHBondContact O-N 3.36Å; Y181-C191 PolarHBondContact O-SG 2.96Å
182C37.2Very low41.4Very low62 Ų6295.5 Ų95.542%0.41950%0.502SS..  trans-89.881.3154.4-35.70000104.7R160 L180R160-C182 PolarHBondContact NH1-O 2.83Å; L180-C182 PolarHBondContact O-N 2.95Å
183G28.6Very low40Very low41 Ų4197 Ų9742%0.42351%0.51SS..  trans-72.8158.4167.900000109.8Y181Y181-G183 VanDerWaalsContact C-N 3.26Å; Y181-G183 PolarHBondContact O-N 3.36Å
184N31.2Very low38.6Very low152 Ų15293.7 Ų93.781%0.81350%0.5SS*.SBendtrans-54.6137.1180-63.8-25000111.9E186N184-E186 PolarHBondContact O-N 3.16Å
185D42.5Very low37.5Very low167 Ų16798 Ų9889%0.89352%0.521SS*.SBendtrans16.8-6.1167.1-58.5-18.3000123.5
186E37.8Very low36.6Very low168 Ų168102.4 Ų102.479%0.78554%0.54SS*.SBendtrans-140.6113.3179-63.1-178.3177.300109.9N184N184-E186 PolarHBondContact O-N 3.16Å
187I37.2Very low36.1Very low156 Ų15698.7 Ų98.780%0.853%0.529SS*.SBendtrans104.2139.8167.1-46155.3000115.9
188P33.8Very low35.6Very low78 Ų7894.4 Ų94.451%0.50651%0.511SS..  -121.5177.6-65.136.9-16.9000111.4S190 C191P188-S190 PolarHBondContact O-N 2.92Å; P188-C191 PolarHBondContact O-SG 3.21Å; P188-C191 VanDerWaalsContact O-SG 3.38Å
189N34.6Very low35.2Very low151 Ų15196.8 Ų96.881%0.80753%0.527SS*.THydrogen-bonded Turntrans-5618.6-178.4-68.7-11.2000118.1C191 I192N189-C191 VanDerWaalsContact C-N 3.26Å; N189-I192 WeakPolarHBondContact O-CD1 3.29Å; N189-I192 WeakPolarHBondContact O-CG1 3.27Å
190S32.8Very low35.3Very low71 Ų7197.2 Ų97.250%0.49753%0.526SS..THydrogen-bonded Turntrans-81-3.9166.551.50000113.6R178 P188 I192R178-S190 WeakPolarHBondContact CD-O 3.33Å; R178-S190 PolarHBondContact NH1-O 2.94Å; R178-S190 VanDerWaalsContact NH1-O 3.09Å; P188-S190 PolarHBondContact O-N 2.92Å; S190-I192 PolarHBondContact O-N 3.38Å
191C39.5Very low35.1Very low72 Ų72100 Ų10049%0.48654%0.54SS..  trans-69.230.6179.2-61.90000115.4Y181 P188 N189Y181-C191 PolarHBondContact O-SG 2.96Å; P188-C191 PolarHBondContact O-SG 3.21Å; P188-C191 VanDerWaalsContact O-SG 3.38Å; N189-C191 VanDerWaalsContact C-N 3.26Å
192I32.9Very low35.5Very low16 Ų16101.5 Ų101.58%0.08256%0.556CS.*  trans-108.198.3-163.3-60-169.3000108.2R178 N189 S190 N194 D195R178-I192 PolarHBondContact NH1-O 2.59Å; N189-I192 WeakPolarHBondContact O-CD1 3.29Å; N189-I192 WeakPolarHBondContact O-CG1 3.27Å; S190-I192 PolarHBondContact O-N 3.38Å; I192-N194 PolarHBondContact O-N 3.06Å; I192-D195 WeakPolarHBondContact CD1-OD1 3.27Å; I192-D195 HydrophobicContact CG2-CB 4.18Å; I192-D195 WeakPolarHBondContact CG2-OD1 3.31Å
193L37Very low35.9Very low43 Ų43104.7 Ų104.723%0.22557%0.57CS.*SBendtrans-45.8121.1135.8-66.4164.8000104.2I172 L180 L197I172-L193 HydrophobicContact CG2-CD2 4.06Å; L180-L193 HydrophobicContact CD1-CD2 4.31Å; L193-L197 HydrophobicContact CB-CB 3.6Å; L193-L197 HydrophobicContact CB-CD1 3.49Å; L193-L197 VanDerWaalsContact CB-CD1 3.49Å; L193-L197 HydrophobicContact CB-CG 4.14Å; L193-L197 HydrophobicContact CD1-CB 4.42Å; L193-L197 HydrophobicContact CD1-CD1 4.18Å; L193-L197 HydrophobicContact CG-CD1 4.33Å; L193-L197 WeakPolarHBondContact O-CB 3.26Å
194N33.4Very low36.9Very low84 Ų84105.2 Ų105.245%0.44956%0.561SS.*THydrogen-bonded Turntrans-4.9128.6-172.7-75.2-6.3000115.5I192 E196 L197I192-N194 PolarHBondContact O-N 3.06Å; N194-E196 CarbonylContact O-C 3.48Å; N194-E196 WeakPolarHBondContact O-CA 3.37Å; N194-E196 PolarHBondContact O-N 3.28Å; N194-L197 PolarHBondContact O-N 3.41Å
195D32Very low38.1Very low115 Ų115101.1 Ų101.162%0.61553%0.534SS*.G310 helixtrans-33-36.4-168.3-62.9-61.4000116.3I192 L197 S198I192-D195 WeakPolarHBondContact CD1-OD1 3.27Å; I192-D195 HydrophobicContact CG2-CB 4.18Å; I192-D195 WeakPolarHBondContact CG2-OD1 3.31Å; D195-L197 VanDerWaalsContact C-N 3.27Å; D195-L197 PolarHBondContact O-N 3.31Å; D195-S198 PolarHBondContact O-N 3.03Å; D195-S198 PolarHBondContact O-OG 3.31Å
196E35Very low39Very low160 Ų160101.3 Ų101.375%0.74853%0.527SS*.G310 helixtrans-47.6-28.4165.3-62.2179.6164.900117.4N194 I200N194-E196 CarbonylContact O-C 3.48Å; N194-E196 WeakPolarHBondContact O-CA 3.37Å; N194-E196 PolarHBondContact O-N 3.28Å; E196-I200 WeakPolarHBondContact O-CD1 3.16Å
197L37.7Very low40.9Very low42 Ų4295 Ų9522%0.2250%0.497CS..G310 helixtrans-97.4-12.4178.2-78.1156.9000112.8P170 L193 N194 D195 I200P170-L197 HydrophobicContact CB-CD1 4.47Å; P170-L197 HydrophobicContact CB-CD2 4.01Å; P170-L197 HydrophobicContact CG-CD2 3.81Å; L193-L197 HydrophobicContact CB-CB 3.6Å; L193-L197 HydrophobicContact CB-CD1 3.49Å; L193-L197 VanDerWaalsContact CB-CD1 3.49Å; L193-L197 HydrophobicContact CB-CG 4.14Å; L193-L197 HydrophobicContact CD1-CB 4.42Å; L193-L197 HydrophobicContact CD1-CD1 4.18Å; L193-L197 HydrophobicContact CG-CD1 4.33Å; L193-L197 WeakPolarHBondContact O-CB 3.26Å; N194-L197 PolarHBondContact O-N 3.41Å; D195-L197 VanDerWaalsContact C-N 3.27Å; D195-L197 PolarHBondContact O-N 3.31Å; L197-I200 HydrophobicContact CD2-CD1 4.06Å; L197-I200 WeakPolarHBondContact O-CB 3.24Å; L197-I200 PolarHBondContact O-N 3.43Å
198S33.2Very low43.1Very low54 Ų5493.9 Ų93.938%0.37849%0.493SS..THydrogen-bonded Turntrans-79.8-29.2176.572.90000113.2D195 I200D195-S198 PolarHBondContact O-N 3.03Å; D195-S198 PolarHBondContact O-OG 3.31Å; S198-I200 PolarHBondContact O-N 3.28Å
199E31.9Very low45.8Very low164 Ų16491.7 Ų91.777%0.76648%0.477SS*.SBendtrans-71.4-14.8167.9-64.3-172.1168.600111.7N201E199-N201 PolarHBondContact O-N 3.01Å
200I37.7Very low48.7Very low80 Ų8088 Ų8841%0.4146%0.46SS..SBendtrans-88.573.2173.7-56174.7000107.8E196 L197 S198 H204E196-I200 WeakPolarHBondContact O-CD1 3.16Å; L197-I200 HydrophobicContact CD2-CD1 4.06Å; L197-I200 WeakPolarHBondContact O-CB 3.24Å; L197-I200 PolarHBondContact O-N 3.43Å; S198-I200 PolarHBondContact O-N 3.28Å; I200-H204 HydrophobicContact CG2-CB 4.07Å; I200-H204 WeakPolarHBondContact CG2-CD2 3.49Å
201N36.2Very low51.7Low106 Ų10688.5 Ų88.557%0.56746%0.456SS*.  trans-21.5163.6173.7-83.5-36.3000118.7E199 D203 H204E199-N201 PolarHBondContact O-N 3.01Å; N201-D203 HydrophobicContact CB-CB 3.98Å; N201-D203 PolarHBondContact O-N 2.9Å; N201-H204 PolarHBondContact O-N 3.39Å
202N42.4Very low54.5Low149 Ų14987 Ų8780%0.79744%0.443SS*.G310 helixtrans-43.5-16.4157.6-79.4-31.5000114.6H204N202-H204 VanDerWaalsContact C-N 3.28Å; N202-H204 PolarHBondContact O-N 3.32Å
203D46.1Very low57.5Low130 Ų13088.7 Ų88.770%0.69545%0.453SS*.G310 helixtrans-65.6-17169.2-88.3-21.4000115.3N201 Y205N201-D203 HydrophobicContact CB-CB 3.98Å; N201-D203 PolarHBondContact O-N 2.9Å; D203-Y205 VanDerWaalsContact C-N 3.28Å; D203-Y205 PolarHBondContact O-N 2.85Å
204H50Low60.3Low51 Ų5192.2 Ų92.224%0.23646%0.463CS..G310 helixtrans-66.7-32.4-180-156.1-100.8000111.9I167 I200 N201 N202 K206I167-H204 WeakPolarHBondContact CD1-CE1 3.37Å; I200-H204 HydrophobicContact CG2-CB 4.07Å; I200-H204 WeakPolarHBondContact CG2-CD2 3.49Å; N201-H204 PolarHBondContact O-N 3.39Å; N202-H204 VanDerWaalsContact C-N 3.28Å; N202-H204 PolarHBondContact O-N 3.32Å; H204-K206 PolarHBondContact O-N 3.35Å
205Y55.9Low63.3Low66 Ų6688.7 Ų88.726%0.25945%0.445SS..  trans-91.379.3171.8-61.7-81.7000110R160 Y163 D203 K207R160-Y205 HydrophobicContact CB-CE1 4.27Å; R160-Y205 HydrophobicContact CG-CE1 4.31Å; Y163-Y205 AromaticContact CD1-CD1 3.26Å; Y163-Y205 HydrophobicContact CD1-CD1 3.26Å; Y163-Y205 AromaticContact CD1-CE1 3.46Å; Y163-Y205 HydrophobicContact CD1-CE1 3.46Å; Y163-Y205 VanDerWaalsContact CD1-CE1 3.46Å; Y163-Y205 HydrophobicContact CD1-CG 4.41Å; Y163-Y205 HydrophobicContact CD2-CD1 4.35Å; Y163-Y205 AromaticContact CE1-CD1 3.5Å; Y163-Y205 HydrophobicContact CE1-CD1 3.5Å; Y163-Y205 VanDerWaalsContact CE1-CD1 3.5Å; Y163-Y205 HydrophobicContact CE1-CE1 4.13Å; Y163-Y205 HydrophobicContact CE1-CG 4.3Å; Y163-Y205 AromaticContact CG-CD1 3.74Å; Y163-Y205 HydrophobicContact CG-CD1 3.74Å; Y163-Y205 AromaticContact CG-CE1 3.91Å; Y163-Y205 HydrophobicContact CG-CE1 3.91Å; D203-Y205 VanDerWaalsContact C-N 3.28Å; D203-Y205 PolarHBondContact O-N 2.85Å; Y205-K207 PolarHBondContact O-N 2.86Å
206K62.6Low66.5Low172 Ų17283.2 Ų83.275%0.74842%0.416SS*.SBendtrans-53.4-22.6172.9-65-174.2179.2-176.90113.7I142 Y163 H204I142-K206 HydrophobicContact CG2-CB 4.13Å; Y163-K206 PolarHBondContact OH-N 2.84Å; H204-K206 PolarHBondContact O-N 3.35Å
207K76.2Confident69.4Low35 Ų3578.4 Ų78.415%0.15239%0.39CS..SBendtrans-132.1133.4179.6-169.7162.4-173.8169.20112.1I142 E143 V145 N146 Y163 Y205I142-K207 HydrophobicContact CG1-CB 3.9Å; I142-K207 HydrophobicContact CG1-CD 4.38Å; I142-K207 WeakPolarHBondContact O-CD 3.48Å; I142-K207 PolarHBondContact O-NZ 2.99Å; E143-K207 PolarHBondContact O-NZ 3.32Å; E143-K207 VanDerWaalsContact O-NZ 3.07Å; V145-K207 WeakPolarHBondContact O-CD 3.33Å; V145-K207 WeakPolarHBondContact O-CE 3.44Å; V145-K207 PolarHBondContact O-NZ 3.3Å; N146-K207 WeakPolarHBondContact OD1-CE 3.38Å; N146-K207 PolarHBondContact OD1-NZ 2.79Å; Y163-K207 HydrophobicContact CE2-CB 4.27Å; Y163-K207 PolarHBondContact OH-N 2.91Å; Y205-K207 PolarHBondContact O-N 2.86Å
208N84.1Confident72.2Confident133 Ų13377 Ų7771%0.71138%0.383SS*.PPolyproline II helixtrans-75.7145.6179.4-73.6-25.6000112.5
209I90.8Very high75.2Confident31 Ų3175.9 Ų75.916%0.15937%0.371CS..PPolyproline II helixtrans-80.4119.7167.7-60.1175.8000108.2F147 G159 R160F147-I209 HydrophobicContact CB-CB 4.47Å; F147-I209 HydrophobicContact CB-CG1 3.97Å; F147-I209 HydrophobicContact CB-CG2 4.5Å; F147-I209 WeakPolarHBondContact O-CA 3.39Å; G159-I209 VanDerWaalsContact C-CD1 3.47Å; R160-I209 HydrophobicContact CG-CD1 3.91Å
210T95.4Very high78.2Confident75 Ų7569.6 Ų69.646%0.4635%0.347SS..EExtended strand (participates in β ladder)trans-81.9127.2-179.3-62.40000110.9F147 Y148 S149F147-T210 PolarHBondContact O-N 2.8Å; Y148-T210 CarbonylContact C-O 3.43Å; Y148-T210 WeakPolarHBondContact CA-O 3.4Å; Y148-T210 HydrophobicContact CD1-CG2 4.09Å; Y148-T210 HydrophobicContact CE1-CG2 4.32Å; S149-T210 PolarHBondContact N-O 2.73Å
211I96.6Very high80.7Confident81 Ų8170.2 Ų70.242%0.41535%0.351SS..EExtended strand (participates in β ladder)trans-81.2124.2177.6-57.2-56000110.4S149 I156S149-I211 CarbonylContact O-C 3.49Å; S149-I211 VanDerWaalsContact O-CA 3.26Å; S149-I211 WeakPolarHBondContact O-CA 3.38Å; I156-I211 HydrophobicContact CD1-CD1 3.85Å; I156-I211 HydrophobicContact CG1-CD1 3.86Å
212N97.1Very high83.6Confident40 Ų4065.2 Ų65.221%0.21433%0.325CS..  trans-139.486.3179.6-167-29.1000112.2S149 Y214 L215 L216S149-N212 PolarHBondContact O-N 3.19Å; N212-Y214 PolarHBondContact OD1-N 3.5Å; N212-L215 WeakPolarHBondContact ND2-CD1 3.3Å; N212-L215 WeakPolarHBondContact OD1-CG 3.13Å; N212-L215 PolarHBondContact OD1-N 2.97Å; N212-L216 VanDerWaalsContact O-CB 3.29Å; N212-L216 WeakPolarHBondContact O-CB 3.46Å; N212-L216 WeakPolarHBondContact O-CG 3.41Å; N212-L216 PolarHBondContact O-N 3.34Å
213N96.5Very high86.1Confident52 Ų5262.2 Ų62.228%0.27830%0.304SS..Hα-helixtrans-72.3-33178.3-75.3-22000113.2S151 L215 L216 R217S151-N213 VanDerWaalsContact CB-ND2 3.33Å; S151-N213 WeakPolarHBondContact CB-ND2 3.33Å; S151-N213 PolarHBondContact N-OD1 2.84Å; S151-N213 PolarHBondContact OG-ND2 2.98Å; S151-N213 PolarHBondContact OG-OD1 3.01Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 2.88Å; N213-L216 PolarHBondContact O-N 2.78Å; N213-R217 HydrophobicContact CB-CB 4.49Å; N213-R217 CarbonylContact O-C 3.55Å; N213-R217 VanDerWaalsContact O-CA 3.28Å; N213-R217 WeakPolarHBondContact O-CA 3.22Å; N213-R217 WeakPolarHBondContact O-CB 3.43Å; N213-R217 PolarHBondContact O-N 2.74Å; N213-R217 VanDerWaalsContact OD1-CD 3.25Å; N213-R217 WeakPolarHBondContact OD1-CD 3.31Å
214Y95.2Very high88.5Confident116 Ų11657 Ų5746%0.45528%0.277SS..Hα-helixtrans-54.7-45.2177.9173.5-108.5000111.4N212 P331 N499N212-Y214 PolarHBondContact OD1-N 3.5Å; Y214-P331 HydrophobicContact CE1-CB 3.98Å; Y214-N499 VanDerWaalsContact CE2-ND2 3.27Å; Y214-N499 WeakPolarHBondContact CE2-ND2 3.41Å; Y214-N499 PolarHBondContact OH-ND2 3.04Å
215L97.1Very high90.8Very high11 Ų1154.8 Ų54.86%0.05827%0.266CS..Hα-helixtrans-86.3-37.2178.9-59.1-175.5000113.4N212 N213 F218 P331 L332 E335 W365N212-L215 WeakPolarHBondContact ND2-CD1 3.3Å; N212-L215 WeakPolarHBondContact OD1-CG 3.13Å; N212-L215 PolarHBondContact OD1-N 2.97Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 2.88Å; L215-F218 VanDerWaalsContact O-CD1 3.25Å; L215-F218 WeakPolarHBondContact O-CD1 3.3Å; L215-P331 HydrophobicContact CD2-CB 3.8Å; L215-L332 HydrophobicContact CB-CB 4.26Å; L215-L332 HydrophobicContact CB-CD1 4.07Å; L215-E335 HydrophobicContact CD1-CB 4.01Å; L215-E335 HydrophobicContact CD1-CG 3.8Å; L215-W365 HydrophobicContact CD1-CH2 4.26Å; L215-W365 HydrophobicContact CD1-CZ3 3.93Å
216L98.2Very high92.7Very high0 Ų053.8 Ų53.80%027%0.265CS..Hα-helixtrans-95.2-8.6-171.5-62.4168.2000114.3L63 N212 N213 L332 W365 T371L63-L216 HydrophobicContact CD1-CD2 3.79Å; N212-L216 VanDerWaalsContact O-CB 3.29Å; N212-L216 WeakPolarHBondContact O-CB 3.46Å; N212-L216 WeakPolarHBondContact O-CG 3.41Å; N212-L216 PolarHBondContact O-N 3.34Å; N213-L216 PolarHBondContact O-N 2.78Å; L216-L332 HydrophobicContact CD2-CD1 4.33Å; L216-L332 HydrophobicContact CD2-CD2 4.18Å; L216-W365 HydrophobicContact CD2-CB 3.85Å; L216-W365 HydrophobicContact CD2-CE3 4.36Å; L216-T371 HydrophobicContact CD2-CG2 4.24Å; L216-T371 PolarHBondContact O-OG1 3.31Å
217R96.7Very high94.4Very high58 Ų5850.6 Ų50.622%0.21925%0.253CS..  trans-136.633178.7-60.5178.855.5105-2.2112.6N213 F219 A220N213-R217 HydrophobicContact CB-CB 4.49Å; N213-R217 CarbonylContact O-C 3.55Å; N213-R217 VanDerWaalsContact O-CA 3.28Å; N213-R217 WeakPolarHBondContact O-CA 3.22Å; N213-R217 WeakPolarHBondContact O-CB 3.43Å; N213-R217 PolarHBondContact O-N 2.74Å; N213-R217 VanDerWaalsContact OD1-CD 3.25Å; N213-R217 WeakPolarHBondContact OD1-CD 3.31Å; R217-F219 HydrophobicContact CB-CE1 4.34Å; R217-F219 HydrophobicContact CB-CZ 4.26Å; R217-F219 HydrophobicContact CG-CZ 4.26Å; R217-F219 PolarHBondContact O-N 3.03Å; R217-A220 HydrophobicContact CB-CB 4.23Å; R217-A220 VanDerWaalsContact O-CB 3.29Å; R217-A220 WeakPolarHBondContact O-CB 3.33Å; R217-A220 PolarHBondContact O-N 3.39Å
218F95.9Very high95.3Very high13 Ų1354.4 Ų54.46%0.05727%0.269CS..Hα-helixtrans-46.6-35.3176.652.1-105.3000113.3L215 A220 D221 C222 Q328 S329 L332 T371 P374L215-F218 VanDerWaalsContact O-CD1 3.25Å; L215-F218 WeakPolarHBondContact O-CD1 3.3Å; F218-A220 PolarHBondContact O-N 2.9Å; F218-D221 PolarHBondContact O-N 3.38Å; F218-C222 WeakPolarHBondContact O-CB 3.16Å; F218-C222 PolarHBondContact O-N 3.02Å; F218-C222 VanDerWaalsContact O-N 3.09Å; F218-Q328 WeakPolarHBondContact CB-O 3.45Å; F218-Q328 HydrophobicContact CD2-CB 4.22Å; F218-Q328 HydrophobicContact CD2-CG 3.57Å; F218-Q328 HydrophobicContact CE2-CG 3.8Å; F218-Q328 WeakPolarHBondContact CG-O 3.3Å; F218-S329 VanDerWaalsContact CZ-CB 3.48Å; F218-L332 HydrophobicContact CE1-CD2 4.4Å; F218-T371 HydrophobicContact CE1-CG2 3.98Å; F218-P374 HydrophobicContact CE2-CB 4.01Å; F218-P374 HydrophobicContact CE2-CG 3.9Å; F218-P374 HydrophobicContact CZ-CB 3.77Å; F218-P374 HydrophobicContact CZ-CG 3.87Å
219F96Very high96Very high30 Ų3048.4 Ų48.413%0.13224%0.237CC..Hα-helixtrans-64.7-18.3178.560.3-97.3000114.5R217 Y225 H368 E370R217-F219 HydrophobicContact CB-CE1 4.34Å; R217-F219 HydrophobicContact CB-CZ 4.26Å; R217-F219 HydrophobicContact CG-CZ 4.26Å; R217-F219 PolarHBondContact O-N 3.03Å; F219-Y225 HydrophobicContact CB-CD1 4.35Å; F219-Y225 HydrophobicContact CB-CE1 4.04Å; F219-Y225 WeakPolarHBondContact O-CD1 3.22Å; F219-H368 HydrophobicContact CZ-CB 4.44Å; F219-E370 HydrophobicContact CD1-CB 3.54Å; F219-E370 HydrophobicContact CD2-CB 4.16Å; F219-E370 HydrophobicContact CD2-CG 4.43Å; F219-E370 HydrophobicContact CE1-CB 3.38Å; F219-E370 HydrophobicContact CE1-CG 4.44Å; F219-E370 HydrophobicContact CE2-CB 4.03Å; F219-E370 HydrophobicContact CE2-CG 4.27Å; F219-E370 HydrophobicContact CG-CB 3.94Å; F219-E370 HydrophobicContact CZ-CB 3.65Å; F219-E370 HydrophobicContact CZ-CG 4.28Å
220A94.6Very high96.2Very high33 Ų3349.9 Ų49.927%0.27324%0.243SC..Hα-helixtrans-84.7-24.3-179.600000112.9R217 F218 I226R217-A220 HydrophobicContact CB-CB 4.23Å; R217-A220 VanDerWaalsContact O-CB 3.29Å; R217-A220 WeakPolarHBondContact O-CB 3.33Å; R217-A220 PolarHBondContact O-N 3.39Å; F218-A220 PolarHBondContact O-N 2.9Å; A220-I226 WeakPolarHBondContact O-CD1 3.44Å
221D91.6Very high96.2Very high92 Ų9251.9 Ų51.949%0.49225%0.251SS..Hα-helixtrans-114-10.7-174.8-59.1-36.6000112.6F218 K223 L505F218-D221 PolarHBondContact O-N 3.38Å; D221-K223 PolarHBondContact O-N 3.46Å; D221-L505 HydrophobicContact CB-CD2 4.37Å
222C95.8Very high96.2Very high1 Ų151 Ų511%0.00725%0.247CC..  trans-74.794.1178.7-168.70000111.9F218 N224 Y225 I226 C503F218-C222 WeakPolarHBondContact O-CB 3.16Å; F218-C222 PolarHBondContact O-N 3.02Å; F218-C222 VanDerWaalsContact O-N 3.09Å; C222-N224 PolarHBondContact O-N 3.3Å; C222-Y225 WeakPolarHBondContact O-CB 3.38Å; C222-Y225 PolarHBondContact O-N 3.33Å; C222-Y225 VanDerWaalsContact O-N 3.12Å; C222-I226 WeakPolarHBondContact O-CG1 3.5Å; C222-I226 PolarHBondContact O-N 3.28Å; C222-C503 HydrophobicContact CB-CB 3.78Å; C222-C503 WeakPolarHBondContact CB-SG 3.45Å; C222-C503 WeakPolarHBondContact SG-CA 3.43Å; C222-C503 WeakPolarHBondContact SG-CB 3.23Å; C222-C503 CovalentContact SG-SG 2.05Å; C222-C503 PolarHBondContact SG-SG 2.9Å
223K95.8Very high96.1Very high86 Ų8656.1 Ų56.137%0.37427%0.268SS..Hα-helixtrans-55.3-47.2-177.1-177.3-178.9176.2-178.30112.9D221 Y225 I226 E227 C503D221-K223 PolarHBondContact O-N 3.46Å; K223-Y225 VanDerWaalsContact C-N 3.29Å; K223-Y225 PolarHBondContact O-N 3.41Å; K223-I226 PolarHBondContact O-N 2.73Å; K223-I226 VanDerWaalsContact O-N 3.15Å; K223-E227 VanDerWaalsContact CE-CD 3.49Å; K223-E227 WeakPolarHBondContact CE-OE1 3.48Å; K223-E227 HydrophobicContact CG-CG 4.3Å; K223-E227 IonicContact NZ-OE1 2.77Å; K223-E227 WeakPolarHBondContact O-CG 3.41Å; K223-E227 PolarHBondContact O-N 2.68Å; K223-C503 WeakPolarHBondContact CB-O 3.25Å; K223-C503 PolarHBondContact N-O 2.98Å
224N96.8Very high96.1Very high22 Ų2257.6 Ų57.612%0.11828%0.282CS..Hα-helixtrans-58.1-42.3178.3-82.6-30.9000111.9C222 K228 L324 V502 C503 S504C222-N224 PolarHBondContact O-N 3.3Å; N224-K228 WeakPolarHBondContact O-CB 3.44Å; N224-K228 VanDerWaalsContact O-CG 3.26Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 3.28Å; N224-K228 PolarHBondContact OD1-NZ 2.65Å; N224-L324 HydrophobicContact CB-CD1 4.46Å; N224-L324 HydrophobicContact CB-CD2 3.99Å; N224-V502 WeakPolarHBondContact CB-O 3.38Å; N224-V502 PolarHBondContact ND2-O 3.38Å; N224-C503 PolarHBondContact N-O 2.79Å; N224-S504 PolarHBondContact ND2-OG 3.15Å; N224-S504 VanDerWaalsContact ND2-OG 3.12Å
225Y97.5Very high96.2Very high4 Ų452.1 Ų52.12%0.01626%0.261CS..Hα-helixtrans-64.9-45.5176.5166.6-98000110.9F219 C222 K223 E227 I229 E230 R317F219-Y225 HydrophobicContact CB-CD1 4.35Å; F219-Y225 HydrophobicContact CB-CE1 4.04Å; F219-Y225 WeakPolarHBondContact O-CD1 3.22Å; C222-Y225 WeakPolarHBondContact O-CB 3.38Å; C222-Y225 PolarHBondContact O-N 3.33Å; C222-Y225 VanDerWaalsContact O-N 3.12Å; K223-Y225 VanDerWaalsContact C-N 3.29Å; K223-Y225 PolarHBondContact O-N 3.41Å; Y225-E227 PolarHBondContact O-N 2.93Å; Y225-I229 HydrophobicContact CD2-CB 4.11Å; Y225-I229 HydrophobicContact CD2-CD1 4.22Å; Y225-I229 HydrophobicContact CD2-CG2 4.42Å; Y225-I229 HydrophobicContact CE2-CB 4.18Å; Y225-I229 HydrophobicContact CE2-CG2 4.03Å; Y225-I229 WeakPolarHBondContact O-CA 3.27Å; Y225-I229 WeakPolarHBondContact O-CB 3.48Å; Y225-I229 PolarHBondContact O-N 2.84Å; Y225-E230 HydrophobicContact CD1-CB 4.35Å; Y225-E230 HydrophobicContact CE1-CB 3.84Å; Y225-E230 HydrophobicContact CE1-CG 4.3Å; Y225-E230 PolarHBondContact O-N 2.76Å; Y225-E230 PolarHBondContact OH-OE2 2.97Å; Y225-R317 VanDerWaalsContact CE2-O 3.22Å; Y225-R317 WeakPolarHBondContact CE2-O 3.22Å; Y225-R317 PolarHBondContact OH-O 3.49Å; Y225-R317 VanDerWaalsContact OH-O 3.12Å
226I97.3Very high96.2Very high45 Ų4551.8 Ų51.823%0.23126%0.259CS..Iπ-helixtrans-60-49.8-178.7-68.3164.1000111.1A220 C222 K223 E230 N231A220-I226 WeakPolarHBondContact O-CD1 3.44Å; C222-I226 WeakPolarHBondContact O-CG1 3.5Å; C222-I226 PolarHBondContact O-N 3.28Å; K223-I226 PolarHBondContact O-N 2.73Å; K223-I226 VanDerWaalsContact O-N 3.15Å; I226-E230 PolarHBondContact O-N 3.07Å; I226-N231 VanDerWaalsContact CG2-ND2 3.35Å; I226-N231 WeakPolarHBondContact CG2-ND2 3.24Å; I226-N231 WeakPolarHBondContact O-CB 3.24Å; I226-N231 PolarHBondContact O-N 3.35Å
227E96.4Very high96.2Very high105 Ų10556.2 Ų56.249%0.49128%0.28SS..Iπ-helixtrans-72.2-46.4-176.5-69.1178.8170.200112.2K223 Y225K223-E227 VanDerWaalsContact CE-CD 3.49Å; K223-E227 WeakPolarHBondContact CE-OE1 3.48Å; K223-E227 HydrophobicContact CG-CG 4.3Å; K223-E227 IonicContact NZ-OE1 2.77Å; K223-E227 WeakPolarHBondContact O-CG 3.41Å; K223-E227 PolarHBondContact O-N 2.68Å; Y225-E227 PolarHBondContact O-N 2.93Å
228K96.7Very high96.3Very high115 Ų11554 Ų5450%0.527%0.272SS..Iπ-helixtrans-83.6-22.7-171.1-60.3174.8-176.7173.60113.1N224 N232 L324N224-K228 WeakPolarHBondContact O-CB 3.44Å; N224-K228 VanDerWaalsContact O-CG 3.26Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 3.28Å; N224-K228 PolarHBondContact OD1-NZ 2.65Å; K228-N232 WeakPolarHBondContact O-CB 3.36Å; K228-N232 PolarHBondContact O-ND2 2.85Å; K228-L324 HydrophobicContact CD-CD2 4.46Å
229I97.3Very high96.4Very high6 Ų654.2 Ų54.23%0.03127%0.273CS..Iπ-helixtrans-132.1-57.4-168.8-53.4-179.7000112.6Y225 N231 N232 A235 R317 Y322 L324 N325Y225-I229 HydrophobicContact CD2-CB 4.11Å; Y225-I229 HydrophobicContact CD2-CD1 4.22Å; Y225-I229 HydrophobicContact CD2-CG2 4.42Å; Y225-I229 HydrophobicContact CE2-CB 4.18Å; Y225-I229 HydrophobicContact CE2-CG2 4.03Å; Y225-I229 WeakPolarHBondContact O-CA 3.27Å; Y225-I229 WeakPolarHBondContact O-CB 3.48Å; Y225-I229 PolarHBondContact O-N 2.84Å; I229-N231 PolarHBondContact O-N 3.26Å; I229-N232 PolarHBondContact O-N 3.27Å; I229-A235 HydrophobicContact CB-CB 4.38Å; I229-A235 HydrophobicContact CG2-CB 4.15Å; I229-R317 HydrophobicContact CG2-CG 4.23Å; I229-Y322 HydrophobicContact CD1-CD2 3.78Å; I229-Y322 HydrophobicContact CD1-CG 3.99Å; I229-Y322 HydrophobicContact CG1-CD2 4.2Å; I229-Y322 HydrophobicContact CG2-CD2 4.34Å; I229-L324 HydrophobicContact CD1-CB 4.17Å; I229-L324 HydrophobicContact CD1-CD2 4.08Å; I229-L324 HydrophobicContact CD1-CG 4.33Å; I229-N325 WeakPolarHBondContact CD1-OD1 3.42Å
230E95.7Very high96.5Very high62 Ų6256.9 Ų56.929%0.2928%0.282SS..Iπ-helixtrans-62.2-47.8-174.2-173.367.9-15900111.6Y225 I226 R317Y225-E230 HydrophobicContact CD1-CB 4.35Å; Y225-E230 HydrophobicContact CE1-CB 3.84Å; Y225-E230 HydrophobicContact CE1-CG 4.3Å; Y225-E230 PolarHBondContact O-N 2.76Å; Y225-E230 PolarHBondContact OH-OE2 2.97Å; I226-E230 PolarHBondContact O-N 3.07Å; E230-R317 VanDerWaalsContact CD-NE 3.27Å; E230-R317 PolarHBondContact O-NH1 2.9Å; E230-R317 PolarHBondContact O-NH2 3.45Å; E230-R317 IonicContact OE1-CZ 3.68Å; E230-R317 IonicContact OE1-NE 3.88Å; E230-R317 PolarHBondContact OE1-NE 2.88Å; E230-R317 IonicContact OE1-NH2 2.75Å; E230-R317 PolarHBondContact OE1-NH2 2.9Å; E230-R317 IonicContact OE2-CZ 3.33Å; E230-R317 VanDerWaalsContact OE2-CZ 3.29Å; E230-R317 IonicContact OE2-NE 3.08Å; E230-R317 PolarHBondContact OE2-NE 2.88Å; E230-R317 IonicContact OE2-NH2 3.98Å; E230-R317 PolarHBondContact OE2-NH2 2.88Å
231N95.7Very high96.7Very high118 Ų11860 Ų6063%0.63129%0.29SS*.SBendtrans-91.5-9.4-178.9-67.1-21.3000113.1I226 I229I226-N231 VanDerWaalsContact CG2-ND2 3.35Å; I226-N231 WeakPolarHBondContact CG2-ND2 3.24Å; I226-N231 WeakPolarHBondContact O-CB 3.24Å; I226-N231 PolarHBondContact O-N 3.35Å; I229-N231 PolarHBondContact O-N 3.26Å
232N96.6Very high97Very high61 Ų6155.7 Ų55.733%0.32627%0.266SS..  trans-91.1106.1-178.3-1762.2000111.6K228 I229 S234 A235K228-N232 WeakPolarHBondContact O-CB 3.36Å; K228-N232 PolarHBondContact O-ND2 2.85Å; I229-N232 PolarHBondContact O-N 3.27Å; N232-S234 PolarHBondContact O-N 2.77Å; N232-S234 WeakPolarHBondContact OD1-CB 3.47Å; N232-S234 PolarHBondContact OD1-N 3.26Å; N232-A235 HydrophobicContact CB-CB 4.15Å; N232-A235 VanDerWaalsContact O-CB 3.27Å; N232-A235 WeakPolarHBondContact O-CB 3.16Å; N232-A235 PolarHBondContact O-N 3.07Å; N232-A235 VanDerWaalsContact O-N 3.09Å
233K95Very high97.2Very high149 Ų14957.7 Ų57.765%0.64828%0.275SS*.G310 helixtrans-61.6-30.9177.6-69.4-177.9-178.9173.90113.2A235 I236 Y240K233-A235 PolarHBondContact O-N 3.06Å; K233-I236 WeakPolarHBondContact O-CG1 3.49Å; K233-I236 PolarHBondContact O-N 3.2Å; K233-Y240 HydrophobicContact CB-CE2 3.99Å; K233-Y240 HydrophobicContact CG-CE2 4.42Å; K233-Y240 WeakPolarHBondContact O-CE2 3.35Å
234S97.1Very high97.2Very high82 Ų8261.7 Ų61.757%0.57329%0.293SS*.G310 helixtrans-67.1-25.4178-55.20000112.1N232 I236 Q237N232-S234 PolarHBondContact O-N 2.77Å; N232-S234 WeakPolarHBondContact OD1-CB 3.47Å; N232-S234 PolarHBondContact OD1-N 3.26Å; S234-I236 PolarHBondContact O-N 2.95Å; S234-Q237 WeakPolarHBondContact O-CB 3.4Å; S234-Q237 PolarHBondContact O-N 3.19Å; S234-Q237 VanDerWaalsContact O-N 3.16Å
235A97.4Very high97.3Very high2 Ų261.7 Ų61.72%0.01729%0.294CS..G310 helixtrans-63.8-24.1177.700000112.7I229 N232 K233 Y322I229-A235 HydrophobicContact CB-CB 4.38Å; I229-A235 HydrophobicContact CG2-CB 4.15Å; N232-A235 HydrophobicContact CB-CB 4.15Å; N232-A235 VanDerWaalsContact O-CB 3.27Å; N232-A235 WeakPolarHBondContact O-CB 3.16Å; N232-A235 PolarHBondContact O-N 3.07Å; N232-A235 VanDerWaalsContact O-N 3.09Å; K233-A235 PolarHBondContact O-N 3.06Å; A235-Y322 VanDerWaalsContact CA-OH 3.31Å; A235-Y322 WeakPolarHBondContact CA-OH 3.46Å; A235-Y322 HydrophobicContact CB-CE2 3.92Å; A235-Y322 VanDerWaalsContact O-CE2 3.26Å; A235-Y322 WeakPolarHBondContact O-CE2 3.49Å; A235-Y322 PolarHBondContact O-OH 2.74Å
236I97.2Very high97.3Very high4 Ų467.5 Ų67.52%0.02133%0.326CS..G310 helixtrans-113.334.8176.759.9167.5000111.7K233 S234 E238 Y239 Y240 W316 R317K233-I236 WeakPolarHBondContact O-CG1 3.49Å; K233-I236 PolarHBondContact O-N 3.2Å; S234-I236 PolarHBondContact O-N 2.95Å; I236-E238 PolarHBondContact O-N 3.08Å; I236-Y239 HydrophobicContact CD1-CD1 4.35Å; I236-Y239 VanDerWaalsContact O-CB 3.29Å; I236-Y239 WeakPolarHBondContact O-CB 3.13Å; I236-Y239 PolarHBondContact O-N 3.19Å; I236-Y239 VanDerWaalsContact O-N 3.08Å; I236-Y240 HydrophobicContact CD1-CE2 3.81Å; I236-Y240 HydrophobicContact CG1-CD2 4.18Å; I236-Y240 HydrophobicContact CG1-CE2 3.68Å; I236-Y240 PolarHBondContact O-N 3.44Å; I236-W316 HydrophobicContact CG2-CB 4.07Å; I236-R317 HydrophobicContact CG2-CB 4.03Å
237Q98Very high97.4Very high93 Ų9368 Ų6844%0.43533%0.325SS..Hα-helixtrans-55-35.7-17962.2178.6-7.200113.7S234 Y239 Y240 K241S234-Q237 WeakPolarHBondContact O-CB 3.4Å; S234-Q237 PolarHBondContact O-N 3.19Å; S234-Q237 VanDerWaalsContact O-N 3.16Å; Q237-Y239 VanDerWaalsContact C-N 3.31Å; Q237-Y239 PolarHBondContact O-N 3.39Å; Q237-Y240 PolarHBondContact O-N 2.85Å; Q237-Y240 VanDerWaalsContact O-N 3.07Å; Q237-K241 WeakPolarHBondContact O-CG 3.39Å; Q237-K241 PolarHBondContact O-N 2.84Å
238E98.3Very high97.5Very high12 Ų1263 Ų636%0.05630%0.302CS..Hα-helixtrans-63.8-35.9178.9-63.4-53.7127.800112.2I236 Y240 K241 F242 L312 W316 T395 A396I236-E238 PolarHBondContact O-N 3.08Å; E238-Y240 VanDerWaalsContact C-N 3.34Å; E238-Y240 PolarHBondContact O-N 2.76Å; E238-K241 PolarHBondContact O-N 2.9Å; E238-K241 IonicContact OE1-NZ 3.65Å; E238-K241 PolarHBondContact OE1-NZ 2.84Å; E238-F242 WeakPolarHBondContact O-CB 3.44Å; E238-F242 PolarHBondContact O-N 2.76Å; E238-L312 HydrophobicContact CB-CD2 4.1Å; E238-W316 HydrophobicContact CG-CD2 4.43Å; E238-W316 HydrophobicContact CG-CZ2 3.61Å; E238-T395 WeakPolarHBondContact OE2-CA 3.36Å; E238-T395 WeakPolarHBondContact OE2-CB 3.39Å; E238-A396 PolarHBondContact OE2-N 3.02Å
239Y98.4Very high97.5Very high17 Ų1761.4 Ų61.47%0.06730%0.297CS..Hα-helixtrans-58.5-46.4170.7168.9-91.7000111.3I236 Q237 F242 F243 K272 L309 K313I236-Y239 HydrophobicContact CD1-CD1 4.35Å; I236-Y239 VanDerWaalsContact O-CB 3.29Å; I236-Y239 WeakPolarHBondContact O-CB 3.13Å; I236-Y239 PolarHBondContact O-N 3.19Å; I236-Y239 VanDerWaalsContact O-N 3.08Å; Q237-Y239 VanDerWaalsContact C-N 3.31Å; Q237-Y239 PolarHBondContact O-N 3.39Å; Y239-F242 PolarHBondContact O-N 2.64Å; Y239-F243 WeakPolarHBondContact O-CB 3.4Å; Y239-F243 PolarHBondContact O-N 3.26Å; Y239-K272 PolarHBondContact OH-NZ 2.99Å; Y239-L309 HydrophobicContact CD2-CD1 3.59Å; Y239-L309 HydrophobicContact CD2-CG 3.89Å; Y239-L309 VanDerWaalsContact CD2-O 3.24Å; Y239-L309 WeakPolarHBondContact CD2-O 3.45Å; Y239-L309 HydrophobicContact CE2-CD1 3.57Å; Y239-L309 HydrophobicContact CE2-CD2 4.02Å; Y239-L309 HydrophobicContact CE2-CG 3.51Å; Y239-L309 HydrophobicContact CG-CD1 4.25Å; Y239-L309 WeakPolarHBondContact O-CD1 3.37Å; Y239-K313 HydrophobicContact CD2-CB 3.71Å; Y239-K313 HydrophobicContact CD2-CD 4.47Å; Y239-K313 HydrophobicContact CD2-CG 4.4Å; Y239-K313 HydrophobicContact CE2-CB 4.17Å; Y239-K313 HydrophobicContact CE2-CD 4.27Å; Y239-K313 HydrophobicContact CG-CB 4.37Å
240Y98.2Very high97.6Very high86 Ų8664.8 Ų64.834%0.33732%0.315SS..Hα-helixtrans-73.3-33.7-178.3-69.3-62.3000113.2K233 I236 Q237 E238 K244K233-Y240 HydrophobicContact CB-CE2 3.99Å; K233-Y240 HydrophobicContact CG-CE2 4.42Å; K233-Y240 WeakPolarHBondContact O-CE2 3.35Å; I236-Y240 HydrophobicContact CD1-CE2 3.81Å; I236-Y240 HydrophobicContact CG1-CD2 4.18Å; I236-Y240 HydrophobicContact CG1-CE2 3.68Å; I236-Y240 PolarHBondContact O-N 3.44Å; Q237-Y240 PolarHBondContact O-N 2.85Å; Q237-Y240 VanDerWaalsContact O-N 3.07Å; E238-Y240 VanDerWaalsContact C-N 3.34Å; E238-Y240 PolarHBondContact O-N 2.76Å; Y240-K244 WeakPolarHBondContact O-CG 3.49Å; Y240-K244 PolarHBondContact O-N 2.84Å
241K98.5Very high97.7Very high99 Ų9961.9 Ų61.943%0.4330%0.301SS..Hα-helixtrans-62.3-50.5171.2-72.6177.2-174.9172.90110.1Q237 E238 F243 K244 S245 A396Q237-K241 WeakPolarHBondContact O-CG 3.39Å; Q237-K241 PolarHBondContact O-N 2.84Å; E238-K241 PolarHBondContact O-N 2.9Å; E238-K241 IonicContact OE1-NZ 3.65Å; E238-K241 PolarHBondContact OE1-NZ 2.84Å; K241-F243 PolarHBondContact O-N 2.87Å; K241-K244 PolarHBondContact O-N 3.34Å; K241-K244 VanDerWaalsContact O-N 3.08Å; K241-S245 PolarHBondContact O-N 2.92Å; K241-A396 HydrophobicContact CB-CB 3.63Å
242F98.5Very high97.8Very high0 Ų056.9 Ų56.90%027%0.274CS..Hα-helixtrans-64.6-38.2179.4-168.8-103.6000112.5E238 Y239 K244 S245 Y247 I248 V305 Y308 L309 L312 A396 F399E238-F242 WeakPolarHBondContact O-CB 3.44Å; E238-F242 PolarHBondContact O-N 2.76Å; Y239-F242 PolarHBondContact O-N 2.64Å; F242-K244 PolarHBondContact O-N 3.4Å; F242-K244 VanDerWaalsContact O-N 3.13Å; F242-S245 WeakPolarHBondContact O-CB 3.35Å; F242-S245 PolarHBondContact O-N 3.05Å; F242-S245 PolarHBondContact O-OG 3.31Å; F242-Y247 AromaticContact CE2-CD2 3.73Å; F242-Y247 HydrophobicContact CE2-CD2 3.73Å; F242-Y247 HydrophobicContact CE2-CE2 4.42Å; F242-Y247 HydrophobicContact CE2-CG 4.32Å; F242-Y247 HydrophobicContact CZ-CD2 4.33Å; F242-Y247 HydrophobicContact CZ-CG 4.49Å; F242-I248 HydrophobicContact CD1-CG1 4.29Å; F242-I248 HydrophobicContact CE1-CD1 4.25Å; F242-I248 HydrophobicContact CE1-CG1 4.17Å; F242-I248 WeakPolarHBondContact O-CG1 3.2Å; F242-V305 HydrophobicContact CE1-CG1 4.19Å; F242-V305 WeakPolarHBondContact CE1-O 3.5Å; F242-V305 HydrophobicContact CZ-CG1 4.31Å; F242-Y308 HydrophobicContact CD1-CD1 4.18Å; F242-Y308 HydrophobicContact CD2-CD1 4.01Å; F242-Y308 HydrophobicContact CD2-CE1 4.17Å; F242-Y308 AromaticContact CE1-CD1 3.92Å; F242-Y308 HydrophobicContact CE1-CD1 3.92Å; F242-Y308 AromaticContact CE2-CD1 3.74Å; F242-Y308 HydrophobicContact CE2-CD1 3.74Å; F242-Y308 HydrophobicContact CE2-CE1 4.17Å; F242-Y308 HydrophobicContact CG-CD1 4.23Å; F242-Y308 AromaticContact CZ-CD1 3.69Å; F242-Y308 HydrophobicContact CZ-CD1 3.69Å; F242-L309 HydrophobicContact CB-CD1 4.4Å; F242-L309 HydrophobicContact CD1-CB 3.89Å; F242-L309 HydrophobicContact CD1-CD1 3.79Å; F242-L309 HydrophobicContact CD1-CG 4.44Å; F242-L309 HydrophobicContact CE1-CB 4.09Å; F242-L312 HydrophobicContact CB-CD1 3.4Å; F242-L312 HydrophobicContact CD1-CD1 4.05Å; F242-L312 HydrophobicContact CD2-CD1 4.36Å; F242-L312 HydrophobicContact CG-CD1 3.68Å; F242-A396 HydrophobicContact CB-CB 3.83Å; F242-A396 HydrophobicContact CD2-CB 4.39Å; F242-F399 HydrophobicContact CD2-CB 4.43Å; F242-F399 HydrophobicContact CE2-CB 3.62Å; F242-F399 AromaticContact CE2-CD1 3.8Å; F242-F399 HydrophobicContact CE2-CD1 3.8Å; F242-F399 HydrophobicContact CE2-CD2 4.16Å; F242-F399 AromaticContact CE2-CG 3.58Å; F242-F399 HydrophobicContact CE2-CG 3.58Å; F242-F399 HydrophobicContact CZ-CB 4.31Å; F242-F399 AromaticContact CZ-CD1 3.85Å; F242-F399 HydrophobicContact CZ-CD1 3.85Å; F242-F399 AromaticContact CZ-CD2 4Å; F242-F399 HydrophobicContact CZ-CD2 4Å; F242-F399 HydrophobicContact CZ-CE1 4.12Å; F242-F399 HydrophobicContact CZ-CE2 4.26Å; F242-F399 AromaticContact CZ-CG 3.77Å; F242-F399 HydrophobicContact CZ-CG 3.77Å; F242-F399 HydrophobicContact CZ-CZ 4.31Å
243F98.4Very high97.9Very high43 Ų4356.3 Ų56.319%0.18927%0.269CS..Hα-helixtrans-58.6-25.4174.5-170.3-109.3000113.5Y239 K241 I248 L268 W306 L309Y239-F243 WeakPolarHBondContact O-CB 3.4Å; Y239-F243 PolarHBondContact O-N 3.26Å; K241-F243 PolarHBondContact O-N 2.87Å; F243-I248 HydrophobicContact CD2-CG2 4.42Å; F243-I248 WeakPolarHBondContact O-CG2 3.49Å; F243-L268 HydrophobicContact CE1-CB 4.35Å; F243-L268 HydrophobicContact CE1-CD1 4.3Å; F243-L268 HydrophobicContact CE2-CB 4.24Å; F243-L268 HydrophobicContact CZ-CB 3.73Å; F243-L268 HydrophobicContact CZ-CD1 4.44Å; F243-W306 HydrophobicContact CD2-CZ3 4.42Å; F243-W306 HydrophobicContact CE2-CH2 4.11Å; F243-W306 HydrophobicContact CE2-CZ3 4.1Å; F243-L309 HydrophobicContact CB-CD1 3.9Å; F243-L309 HydrophobicContact CD2-CD1 4.26Å; F243-L309 HydrophobicContact CD2-CD2 3.75Å; F243-L309 HydrophobicContact CE2-CD2 4.38Å
244K97.4Very high98Very high170 Ų17052.9 Ų52.974%0.73926%0.258SS*.THydrogen-bonded Turntrans-97.92.3176.9-64.7175.7-177.4-179.10113.3Y240 K241 F242Y240-K244 WeakPolarHBondContact O-CG 3.49Å; Y240-K244 PolarHBondContact O-N 2.84Å; K241-K244 PolarHBondContact O-N 3.34Å; K241-K244 VanDerWaalsContact O-N 3.08Å; F242-K244 PolarHBondContact O-N 3.4Å; F242-K244 VanDerWaalsContact O-N 3.13Å
245S98.2Very high98.1Very high22 Ų2249 Ų4915%0.15423%0.231CC..SBendtrans-72.1163.9-177.271.80000112.5K241 F242 Y247 I248 M249K241-S245 PolarHBondContact O-N 2.92Å; F242-S245 WeakPolarHBondContact O-CB 3.35Å; F242-S245 PolarHBondContact O-N 3.05Å; F242-S245 PolarHBondContact O-OG 3.31Å; S245-Y247 PolarHBondContact O-N 3.04Å; S245-Y247 PolarHBondContact OG-N 3.03Å; S245-I248 PolarHBondContact O-N 2.82Å; S245-M249 PolarHBondContact O-N 3.22Å; S245-M249 VanDerWaalsContact O-N 3.15Å
246N98Very high98.2Very high126 Ų12649.6 Ų49.667%0.67423%0.234SC*.Hα-helixtrans-62.9-24.7173.7-71.4-18.9000112.5M249 N250N246-M249 PolarHBondContact O-N 3.41Å; N246-N250 WeakPolarHBondContact O-CB 3.46Å; N246-N250 PolarHBondContact O-N 2.78Å; N246-N250 PolarHBondContact O-ND2 3.04Å; N246-N250 PolarHBondContact O-OD1 3.47Å
247Y97.9Very high98.2Very high56 Ų5657.5 Ų57.522%0.2227%0.268CS..Hα-helixtrans-65.1-47177.3-54.4-79.8000112F242 S245 N250 S251 Y301 F399 D400F242-Y247 AromaticContact CE2-CD2 3.73Å; F242-Y247 HydrophobicContact CE2-CD2 3.73Å; F242-Y247 HydrophobicContact CE2-CE2 4.42Å; F242-Y247 HydrophobicContact CE2-CG 4.32Å; F242-Y247 HydrophobicContact CZ-CD2 4.33Å; F242-Y247 HydrophobicContact CZ-CG 4.49Å; S245-Y247 PolarHBondContact O-N 3.04Å; S245-Y247 PolarHBondContact OG-N 3.03Å; Y247-N250 PolarHBondContact O-N 3.47Å; Y247-S251 PolarHBondContact O-N 3.16Å; Y247-Y301 WeakPolarHBondContact CA-OH 3.42Å; Y247-Y301 PolarHBondContact O-OH 3.14Å; Y247-F399 AromaticContact CD1-CD1 3.56Å; Y247-F399 HydrophobicContact CD1-CD1 3.56Å; Y247-F399 AromaticContact CD1-CE1 3.63Å; Y247-F399 HydrophobicContact CD1-CE1 3.63Å; Y247-F399 AromaticContact CD2-CD1 3.79Å; Y247-F399 HydrophobicContact CD2-CD1 3.79Å; Y247-F399 HydrophobicContact CD2-CE1 4.46Å; Y247-F399 AromaticContact CE1-CD1 3.66Å; Y247-F399 HydrophobicContact CE1-CD1 3.66Å; Y247-F399 HydrophobicContact CE1-CE1 4.07Å; Y247-F399 HydrophobicContact CE2-CB 4.35Å; Y247-F399 AromaticContact CE2-CD1 3.9Å; Y247-F399 HydrophobicContact CE2-CD1 3.9Å; Y247-F399 AromaticContact CG-CD1 3.64Å; Y247-F399 HydrophobicContact CG-CD1 3.64Å; Y247-F399 AromaticContact CG-CE1 3.86Å; Y247-F399 HydrophobicContact CG-CE1 3.86Å; Y247-F399 AromaticContact CZ-CD1 3.84Å; Y247-D400 WeakPolarHBondContact CE1-OD1 3.44Å; Y247-D400 PolarHBondContact OH-OD1 3.29Å; Y247-D400 PolarHBondContact OH-OD2 3.1Å
248I98.3Very high98.2Very high0 Ų057.4 Ų57.40%026%0.263CS..Hα-helixtrans-67.1-40.8177-66.9-77.2000110.4F242 F243 S245 S251 Y252 L268 V305 W306 L309F242-I248 HydrophobicContact CD1-CG1 4.29Å; F242-I248 HydrophobicContact CE1-CD1 4.25Å; F242-I248 HydrophobicContact CE1-CG1 4.17Å; F242-I248 WeakPolarHBondContact O-CG1 3.2Å; F243-I248 HydrophobicContact CD2-CG2 4.42Å; F243-I248 WeakPolarHBondContact O-CG2 3.49Å; S245-I248 PolarHBondContact O-N 2.82Å; I248-S251 PolarHBondContact O-N 3.41Å; I248-Y252 PolarHBondContact O-N 3.29Å; I248-L268 HydrophobicContact CG2-CB 4.45Å; I248-L268 HydrophobicContact CG2-CD1 4.18Å; I248-L268 HydrophobicContact CG2-CD2 4.17Å; I248-V305 HydrophobicContact CD1-CG1 3.54Å; I248-V305 HydrophobicContact CG1-CG1 4.1Å; I248-W306 HydrophobicContact CD1-CD2 4.18Å; I248-W306 HydrophobicContact CD1-CE3 4.03Å; I248-W306 HydrophobicContact CD1-CH2 3.74Å; I248-W306 HydrophobicContact CD1-CZ2 3.86Å; I248-W306 HydrophobicContact CD1-CZ3 3.81Å; I248-W306 HydrophobicContact CG2-CH2 3.98Å; I248-W306 HydrophobicContact CG2-CZ2 4.2Å; I248-L309 HydrophobicContact CD1-CD2 4.15Å
249M98.1Very high98.2Very high82 Ų8257.3 Ų57.340%0.40426%0.263SS..Hα-helixtrans-62.7-46.2176-169.362.2108.700111.3S245 N246 S251 Y252 E253 L268S245-M249 PolarHBondContact O-N 3.22Å; S245-M249 VanDerWaalsContact O-N 3.15Å; N246-M249 PolarHBondContact O-N 3.41Å; M249-S251 PolarHBondContact O-N 3.16Å; M249-Y252 WeakPolarHBondContact O-CB 3.37Å; M249-Y252 PolarHBondContact O-N 2.88Å; M249-Y252 VanDerWaalsContact O-N 3.16Å; M249-Y252 HydrophobicContact SD-CD1 4.2Å; M249-E253 HydrophobicContact CG-CG 4.22Å; M249-E253 WeakPolarHBondContact O-CG 3.2Å; M249-E253 PolarHBondContact O-N 3.35Å; M249-E253 HydrophobicContact SD-CG 4.46Å; M249-L268 HydrophobicContact SD-CD2 4.22Å
250N98.2Very high98.2Very high77 Ų7761.1 Ų61.141%0.41229%0.288SS..Hα-helixtrans-61.7-41.6178.2-71.5-15.1000112.2N246 Y247 Y252 E253 N254 Y301N246-N250 WeakPolarHBondContact O-CB 3.46Å; N246-N250 PolarHBondContact O-N 2.78Å; N246-N250 PolarHBondContact O-ND2 3.04Å; N246-N250 PolarHBondContact O-OD1 3.47Å; Y247-N250 PolarHBondContact O-N 3.47Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 3.12Å; N250-E253 PolarHBondContact O-N 3.48Å; N250-N254 VanDerWaalsContact O-CB 3.26Å; N250-N254 WeakPolarHBondContact O-CB 3.23Å; N250-N254 PolarHBondContact O-N 3.19Å; N250-N254 PolarHBondContact O-ND2 3.21Å; N250-Y301 HydrophobicContact CB-CE1 4.28Å
251S98.2Very high98.2Very high0 Ų057.8 Ų57.80%028%0.276CS..Hα-helixtrans-55.8-48.4172.6175.40000111.2Y247 I248 M249 F255 D302 W306Y247-S251 PolarHBondContact O-N 3.16Å; I248-S251 PolarHBondContact O-N 3.41Å; M249-S251 PolarHBondContact O-N 3.16Å; S251-F255 PolarHBondContact O-N 2.89Å; S251-F255 VanDerWaalsContact O-N 3.11Å; S251-D302 WeakPolarHBondContact CA-OD1 3.43Å; S251-D302 WeakPolarHBondContact CB-OD1 3.33Å; S251-D302 PolarHBondContact OG-OD1 3.44Å; S251-W306 PolarHBondContact OG-NE1 2.73Å
252Y98.5Very high98.1Very high13 Ų1359.1 Ų59.15%0.05128%0.282CS..Hα-helixtrans-64-49177.1170.6-96.9000113.1I248 M249 N250 N254 F255 I256 R263 Y266 L268 L271I248-Y252 PolarHBondContact O-N 3.29Å; M249-Y252 WeakPolarHBondContact O-CB 3.37Å; M249-Y252 PolarHBondContact O-N 2.88Å; M249-Y252 VanDerWaalsContact O-N 3.16Å; M249-Y252 HydrophobicContact SD-CD1 4.2Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 3.12Å; Y252-N254 VanDerWaalsContact C-N 3.3Å; Y252-N254 PolarHBondContact O-N 2.86Å; Y252-F255 WeakPolarHBondContact O-CB 3.29Å; Y252-F255 PolarHBondContact O-N 2.79Å; Y252-F255 VanDerWaalsContact O-N 3.12Å; Y252-I256 HydrophobicContact CD1-CG1 4.19Å; Y252-I256 HydrophobicContact CD2-CG1 4.24Å; Y252-I256 HydrophobicContact CE1-CG1 3.78Å; Y252-I256 HydrophobicContact CE2-CD1 3.87Å; Y252-I256 HydrophobicContact CE2-CG1 3.85Å; Y252-I256 HydrophobicContact CG-CG1 4.4Å; Y252-I256 WeakPolarHBondContact O-CG1 3.3Å; Y252-I256 PolarHBondContact O-N 3.27Å; Y252-R263 HydrophobicContact CE1-CG 4.25Å; Y252-R263 VanDerWaalsContact OH-CG 3.27Å; Y252-R263 WeakPolarHBondContact OH-CG 3.47Å; Y252-R263 PolarHBondContact OH-O 3.05Å; Y252-Y266 PolarHBondContact OH-O 2.96Å; Y252-L268 VanDerWaalsContact CB-CD2 3.41Å; Y252-L268 HydrophobicContact CD1-CD2 3.97Å; Y252-L268 HydrophobicContact CD2-CD2 3.93Å; Y252-L268 HydrophobicContact CG-CD2 3.51Å; Y252-L271 HydrophobicContact CD2-CD2 3.87Å
253E98.2Very high98Very high50 Ų5065.9 Ų65.923%0.23431%0.307CS..Hα-helixtrans-62-39.2-179.8-66.3-55.3156.900111.8M249 N250 F255 I256 K257 R263M249-E253 HydrophobicContact CG-CG 4.22Å; M249-E253 WeakPolarHBondContact O-CG 3.2Å; M249-E253 PolarHBondContact O-N 3.35Å; M249-E253 HydrophobicContact SD-CG 4.46Å; N250-E253 PolarHBondContact O-N 3.48Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 3.42Å; E253-I256 PolarHBondContact O-N 3.24Å; E253-K257 VanDerWaalsContact O-CB 3.22Å; E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 3.39Å; E253-R263 IonicContact OE1-CZ 2.72Å; E253-R263 VanDerWaalsContact OE1-CZ 3.25Å; E253-R263 IonicContact OE1-NE 3.01Å; E253-R263 IonicContact OE1-NH2 3.81Å; E253-R263 PolarHBondContact OE1-NH2 3.49Å; E253-R263 IonicContact OE2-CZ 3.62Å; E253-R263 IonicContact OE2-NE 3.92Å; E253-R263 IonicContact OE2-NH2 3.7Å; E253-R263 PolarHBondContact OE2-NH2 3.17Å
254N98Very high97.9Very high76 Ų7670.8 Ų70.841%0.40633%0.331SS..Hα-helixtrans-62.8-40.2175-76.1-23.6000111.7N250 Y252 R258N250-N254 VanDerWaalsContact O-CB 3.26Å; N250-N254 WeakPolarHBondContact O-CB 3.23Å; N250-N254 PolarHBondContact O-N 3.19Å; N250-N254 PolarHBondContact O-ND2 3.21Å; Y252-N254 VanDerWaalsContact C-N 3.3Å; Y252-N254 PolarHBondContact O-N 2.86Å; N254-R258 WeakPolarHBondContact O-CB 3.47Å; N254-R258 PolarHBondContact O-N 3.11Å
255F98.3Very high97.8Very high0 Ų066.2 Ų66.20%031%0.314CS..Hα-helixtrans-64.1-49.5174.4167.6-99.9000112.3L86 S251 Y252 E253 K257 R258 F259 L261 Y266 L271 I274 L297L86-F255 HydrophobicContact CD2-CZ 4.08Å; S251-F255 PolarHBondContact O-N 2.89Å; S251-F255 VanDerWaalsContact O-N 3.11Å; Y252-F255 WeakPolarHBondContact O-CB 3.29Å; Y252-F255 PolarHBondContact O-N 2.79Å; Y252-F255 VanDerWaalsContact O-N 3.12Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 3.42Å; F255-K257 VanDerWaalsContact C-N 3.32Å; F255-K257 PolarHBondContact O-N 3.46Å; F255-R258 PolarHBondContact O-N 2.88Å; F255-F259 AromaticContact CD2-CD2 3.5Å; F255-F259 HydrophobicContact CD2-CD2 3.5Å; F255-F259 AromaticContact CD2-CE2 3.73Å; F255-F259 HydrophobicContact CD2-CE2 3.73Å; F255-F259 AromaticContact CE2-CD2 3.62Å; F255-F259 HydrophobicContact CE2-CD2 3.62Å; F255-F259 AromaticContact CE2-CE2 3.93Å; F255-F259 HydrophobicContact CE2-CE2 3.93Å; F255-F259 HydrophobicContact CG-CD2 4.36Å; F255-F259 WeakPolarHBondContact O-CD2 3.43Å; F255-F259 PolarHBondContact O-N 3.46Å; F255-F259 VanDerWaalsContact O-N 3.16Å; F255-L261 HydrophobicContact CD1-CD1 3.94Å; F255-L261 HydrophobicContact CE1-CD1 3.27Å; F255-L261 HydrophobicContact CE2-CD1 4.2Å; F255-L261 HydrophobicContact CZ-CD1 3.42Å; F255-L261 VanDerWaalsContact CZ-CD1 3.42Å; F255-Y266 HydrophobicContact CE1-CD1 4.18Å; F255-Y266 HydrophobicContact CE1-CG 4.49Å; F255-L271 HydrophobicContact CB-CD1 3.77Å; F255-L271 HydrophobicContact CB-CD2 4.12Å; F255-L271 HydrophobicContact CB-CG 4.33Å; F255-L271 HydrophobicContact CD1-CD1 4.32Å; F255-L271 HydrophobicContact CD1-CD2 3.45Å; F255-L271 VanDerWaalsContact CD1-CD2 3.45Å; F255-L271 HydrophobicContact CD1-CG 4.46Å; F255-L271 HydrophobicContact CD2-CD1 4.03Å; F255-L271 HydrophobicContact CE1-CD2 3.94Å; F255-L271 HydrophobicContact CG-CD1 3.78Å; F255-L271 HydrophobicContact CG-CD2 3.81Å; F255-L271 HydrophobicContact CG-CG 4.36Å; F255-I274 HydrophobicContact CD2-CD1 4.2Å; F255-I274 HydrophobicContact CE1-CD1 4.49Å; F255-I274 HydrophobicContact CE2-CD1 3.53Å; F255-I274 HydrophobicContact CZ-CD1 3.69Å; F255-L297 HydrophobicContact CE2-CB 4.44Å
256I98.5Very high97.9Very high15 Ų1565.4 Ų65.48%0.07731%0.308CS..Hα-helixtrans-58.2-45.9177.5-65.1-60.7000111Y252 E253 T260 L261 Y266Y252-I256 HydrophobicContact CD1-CG1 4.19Å; Y252-I256 HydrophobicContact CD2-CG1 4.24Å; Y252-I256 HydrophobicContact CE1-CG1 3.78Å; Y252-I256 HydrophobicContact CE2-CD1 3.87Å; Y252-I256 HydrophobicContact CE2-CG1 3.85Å; Y252-I256 HydrophobicContact CG-CG1 4.4Å; Y252-I256 WeakPolarHBondContact O-CG1 3.3Å; Y252-I256 PolarHBondContact O-N 3.27Å; E253-I256 PolarHBondContact O-N 3.24Å; I256-T260 WeakPolarHBondContact O-CA 3.22Å; I256-T260 PolarHBondContact O-N 3.4Å; I256-L261 HydrophobicContact CD1-CB 3.88Å; I256-L261 HydrophobicContact CD1-CD1 4.24Å; I256-L261 HydrophobicContact CG2-CB 4.39Å; I256-L261 WeakPolarHBondContact CG2-O 3.47Å; I256-L261 PolarHBondContact O-N 3.13Å; I256-Y266 HydrophobicContact CD1-CD2 4.19Å; I256-Y266 HydrophobicContact CD1-CG 4.16Å
257K98.2Very high97.8Very high170 Ų17066.5 Ų66.574%0.73931%0.307SS*.Hα-helixtrans-66.8-49.9-179.7-177.1-179.9177.8-177.90112.3E253 F255 F259 T260E253-K257 VanDerWaalsContact O-CB 3.22Å; E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 3.39Å; F255-K257 VanDerWaalsContact C-N 3.32Å; F255-K257 PolarHBondContact O-N 3.46Å; K257-F259 VanDerWaalsContact C-N 3.25Å; K257-F259 PolarHBondContact O-N 3.4Å; K257-T260 PolarHBondContact O-N 3.33Å
258R97.8Very high97.8Very high91 Ų9165.8 Ų65.834%0.34331%0.307SS..Hα-helixtrans-62.9-32.9-175.4179.4161.750.6103.44.9112.5N254 F255 S296 L297 T299N254-R258 WeakPolarHBondContact O-CB 3.47Å; N254-R258 PolarHBondContact O-N 3.11Å; F255-R258 PolarHBondContact O-N 2.88Å; R258-S296 PolarHBondContact NH1-O 3.36Å; R258-L297 PolarHBondContact NH2-O 2.61Å; R258-T299 VanDerWaalsContact CZ-CG2 3.48Å; R258-T299 VanDerWaalsContact NH2-CG2 3.29Å
259F98.2Very high97.7Very high10 Ų1069.1 Ų69.14%0.04432%0.324CS..THydrogen-bonded Turntrans-104.19.9179.1-64.4-61.1000113.9S94 P95 I96 P97 F255 K257 L261 L297S94-F259 WeakPolarHBondContact CB-O 3.46Å; S94-F259 PolarHBondContact OG-O 3.3Å; P95-F259 WeakPolarHBondContact CD-O 3.5Å; P95-F259 WeakPolarHBondContact O-CD1 3.45Å; I96-F259 HydrophobicContact CD1-CB 3.69Å; I96-F259 HydrophobicContact CD1-CD1 3.78Å; I96-F259 HydrophobicContact CD1-CG 3.75Å; P97-F259 HydrophobicContact CG-CE1 4.29Å; F255-F259 AromaticContact CD2-CD2 3.5Å; F255-F259 HydrophobicContact CD2-CD2 3.5Å; F255-F259 AromaticContact CD2-CE2 3.73Å; F255-F259 HydrophobicContact CD2-CE2 3.73Å; F255-F259 AromaticContact CE2-CD2 3.62Å; F255-F259 HydrophobicContact CE2-CD2 3.62Å; F255-F259 AromaticContact CE2-CE2 3.93Å; F255-F259 HydrophobicContact CE2-CE2 3.93Å; F255-F259 HydrophobicContact CG-CD2 4.36Å; F255-F259 WeakPolarHBondContact O-CD2 3.43Å; F255-F259 PolarHBondContact O-N 3.46Å; F255-F259 VanDerWaalsContact O-N 3.16Å; K257-F259 VanDerWaalsContact C-N 3.25Å; K257-F259 PolarHBondContact O-N 3.4Å; F259-L261 VanDerWaalsContact C-N 3.25Å; F259-L261 HydrophobicContact CB-CD1 3.96Å; F259-L261 HydrophobicContact CB-CD2 4.25Å; F259-L261 HydrophobicContact CB-CG 3.76Å; F259-L261 PolarHBondContact O-N 3.29Å; F259-L297 HydrophobicContact CD2-CD2 4.44Å; F259-L297 HydrophobicContact CE1-CD2 4.15Å; F259-L297 HydrophobicContact CE2-CB 4.35Å; F259-L297 HydrophobicContact CE2-CD2 3.74Å; F259-L297 HydrophobicContact CZ-CD2 3.57Å
260T98.1Very high97.7Very high98 Ų9865.7 Ų65.760%0.60131%0.308SS*.THydrogen-bonded Turntrans4948.6177.5-41.50000111.9S94 I256 K257S94-T260 PolarHBondContact OG-O 3.23Å; S94-T260 VanDerWaalsContact OG-O 3.05Å; I256-T260 WeakPolarHBondContact O-CA 3.22Å; I256-T260 PolarHBondContact O-N 3.4Å; K257-T260 PolarHBondContact O-N 3.33Å
261L98.2Very high97.7Very high15 Ų1562 Ų628%0.07929%0.288CS..  trans-91151.7-175.9-62.2176.1000111.2L86 I96 F255 I256 F259 Y266L86-L261 HydrophobicContact CD2-CD1 4.48Å; I96-L261 HydrophobicContact CD1-CD2 4.25Å; F255-L261 HydrophobicContact CD1-CD1 3.94Å; F255-L261 HydrophobicContact CE1-CD1 3.27Å; F255-L261 HydrophobicContact CE2-CD1 4.2Å; F255-L261 HydrophobicContact CZ-CD1 3.42Å; F255-L261 VanDerWaalsContact CZ-CD1 3.42Å; I256-L261 HydrophobicContact CD1-CB 3.88Å; I256-L261 HydrophobicContact CD1-CD1 4.24Å; I256-L261 HydrophobicContact CG2-CB 4.39Å; I256-L261 WeakPolarHBondContact CG2-O 3.47Å; I256-L261 PolarHBondContact O-N 3.13Å; F259-L261 VanDerWaalsContact C-N 3.25Å; F259-L261 HydrophobicContact CB-CD1 3.96Å; F259-L261 HydrophobicContact CB-CD2 4.25Å; F259-L261 HydrophobicContact CB-CG 3.76Å; F259-L261 PolarHBondContact O-N 3.29Å; L261-Y266 HydrophobicContact CB-CD2 3.88Å; L261-Y266 HydrophobicContact CB-CE2 3.78Å; L261-Y266 HydrophobicContact CD1-CD1 4.46Å; L261-Y266 HydrophobicContact CD1-CD2 4.07Å; L261-Y266 HydrophobicContact CD1-CE1 4.23Å; L261-Y266 HydrophobicContact CD1-CE2 3.84Å; L261-Y266 HydrophobicContact CD1-CG 4.38Å; L261-Y266 HydrophobicContact CD2-CE2 3.74Å; L261-Y266 HydrophobicContact CG-CD2 4.41Å; L261-Y266 HydrophobicContact CG-CE2 3.98Å
262K96.9Very high97.7Very high127 Ų12764.6 Ų64.655%0.55230%0.299SS*.  trans-79.8118.2171.9-70.2-174.5-177.9-179.50110.1E264 N265 Y266K262-E264 HydrophobicContact CB-CG 4.35Å; K262-E264 PolarHBondContact O-N 3.18Å; K262-N265 PolarHBondContact O-N 3.21Å; K262-Y266 WeakPolarHBondContact O-CD2 3.33Å
263R95.9Very high97.7Very high142 Ų14264.4 Ų64.454%0.53630%0.299SS..G310 helixtrans-55.5-37.2-173.2-173.1-175.8-89.5-169.7-1.9112.3Y252 E253 N265 Y266Y252-R263 HydrophobicContact CE1-CG 4.25Å; Y252-R263 VanDerWaalsContact OH-CG 3.27Å; Y252-R263 WeakPolarHBondContact OH-CG 3.47Å; Y252-R263 PolarHBondContact OH-O 3.05Å; E253-R263 IonicContact OE1-CZ 2.72Å; E253-R263 VanDerWaalsContact OE1-CZ 3.25Å; E253-R263 IonicContact OE1-NE 3.01Å; E253-R263 IonicContact OE1-NH2 3.81Å; E253-R263 PolarHBondContact OE1-NH2 3.49Å; E253-R263 IonicContact OE2-CZ 3.62Å; E253-R263 IonicContact OE2-NE 3.92Å; E253-R263 IonicContact OE2-NH2 3.7Å; E253-R263 PolarHBondContact OE2-NH2 3.17Å; R263-N265 PolarHBondContact O-N 3.43Å; R263-N265 VanDerWaalsContact O-N 3.17Å; R263-Y266 PolarHBondContact O-N 3.21Å
264E96.4Very high97.7Very high147 Ų14762 Ų6269%0.68729%0.288SS*.G310 helixtrans-60.7-22.2179.561.2-89.8-153.700114.3K262K262-E264 HydrophobicContact CB-CG 4.35Å; K262-E264 PolarHBondContact O-N 3.18Å
265N96.9Very high97.7Very high73 Ų7358.7 Ų58.739%0.3927%0.27SS..G310 helixtrans-91.5-10.7-177-68.1-13.1000113.7K262 R263K262-N265 PolarHBondContact O-N 3.21Å; R263-N265 PolarHBondContact O-N 3.43Å; R263-N265 VanDerWaalsContact O-N 3.17Å
266Y98.3Very high97.7Very high5 Ų560.6 Ų60.62%0.0228%0.28CS..  trans-133.8144.4-170.2-65.8-84.5000112.6L82 R85 L86 S89 Y252 F255 I256 L261 K262 R263 D270L82-Y266 HydrophobicContact CD1-CD1 4.06Å; L82-Y266 HydrophobicContact CD1-CE1 3.84Å; R85-Y266 HydrophobicContact CB-CE1 4.41Å; R85-Y266 PolarHBondContact O-OH 2.9Å; L86-Y266 WeakPolarHBondContact CA-OH 3.48Å; L86-Y266 HydrophobicContact CD2-CE1 3.87Å; L86-Y266 HydrophobicContact CG-CE1 4.29Å; S89-Y266 PolarHBondContact OG-OH 2.94Å; Y252-Y266 PolarHBondContact OH-O 2.96Å; F255-Y266 HydrophobicContact CE1-CD1 4.18Å; F255-Y266 HydrophobicContact CE1-CG 4.49Å; I256-Y266 HydrophobicContact CD1-CD2 4.19Å; I256-Y266 HydrophobicContact CD1-CG 4.16Å; L261-Y266 HydrophobicContact CB-CD2 3.88Å; L261-Y266 HydrophobicContact CB-CE2 3.78Å; L261-Y266 HydrophobicContact CD1-CD1 4.46Å; L261-Y266 HydrophobicContact CD1-CD2 4.07Å; L261-Y266 HydrophobicContact CD1-CE1 4.23Å; L261-Y266 HydrophobicContact CD1-CE2 3.84Å; L261-Y266 HydrophobicContact CD1-CG 4.38Å; L261-Y266 HydrophobicContact CD2-CE2 3.74Å; L261-Y266 HydrophobicContact CG-CD2 4.41Å; L261-Y266 HydrophobicContact CG-CE2 3.98Å; K262-Y266 WeakPolarHBondContact O-CD2 3.33Å; R263-Y266 PolarHBondContact O-N 3.21Å; Y266-D270 VanDerWaalsContact CA-OD2 3.27Å; Y266-D270 WeakPolarHBondContact CA-OD2 3.27Å
267K97.2Very high97.6Very high149 Ų14959.9 Ų59.965%0.64828%0.277SS*.  trans-120.5162.5-177.7-60.5177.9-177.5176.70110.8D269 D270K267-D269 PolarHBondContact O-N 2.92Å; K267-D270 PolarHBondContact N-OD2 2.59Å; K267-D270 VanDerWaalsContact O-CB 3.29Å; K267-D270 WeakPolarHBondContact O-CB 3.39Å; K267-D270 PolarHBondContact O-N 3.41Å
268L97Very high97.5Very high42 Ų4251.8 Ų51.822%0.2224%0.242CC..Hα-helixtrans-53.6-37.3173.9-61.4179.4000112.7F243 I248 M249 Y252 D270 L271 W306F243-L268 HydrophobicContact CE1-CB 4.35Å; F243-L268 HydrophobicContact CE1-CD1 4.3Å; F243-L268 HydrophobicContact CE2-CB 4.24Å; F243-L268 HydrophobicContact CZ-CB 3.73Å; F243-L268 HydrophobicContact CZ-CD1 4.44Å; I248-L268 HydrophobicContact CG2-CB 4.45Å; I248-L268 HydrophobicContact CG2-CD1 4.18Å; I248-L268 HydrophobicContact CG2-CD2 4.17Å; M249-L268 HydrophobicContact SD-CD2 4.22Å; Y252-L268 VanDerWaalsContact CB-CD2 3.41Å; Y252-L268 HydrophobicContact CD1-CD2 3.97Å; Y252-L268 HydrophobicContact CD2-CD2 3.93Å; Y252-L268 HydrophobicContact CG-CD2 3.51Å; L268-D270 PolarHBondContact O-N 3.46Å; L268-L271 PolarHBondContact O-N 2.78Å; L268-W306 VanDerWaalsContact O-CH2 3.32Å; L268-W306 WeakPolarHBondContact O-CH2 3.38Å
269D97Very high97.5Very high69 Ų6947.5 Ų47.537%0.36923%0.225SC..Hα-helixtrans-68.9-15.3-180-159.172000113K267 L271 K272 T273K267-D269 PolarHBondContact O-N 2.92Å; D269-L271 VanDerWaalsContact C-N 3.34Å; D269-K272 WeakPolarHBondContact O-CB 3.37Å; D269-K272 PolarHBondContact O-N 3Å; D269-K272 WeakPolarHBondContact OD1-CD 3.49Å; D269-K272 IonicContact OD1-NZ 3.38Å; D269-K272 PolarHBondContact OD1-NZ 2.73Å; D269-T273 WeakPolarHBondContact O-CB 3.27Å; D269-T273 PolarHBondContact O-N 3.42Å; D269-T273 PolarHBondContact O-OG1 3.35Å
270D98.3Very high97.4Very high11 Ų1147.3 Ų47.36%0.05922%0.224CC..Hα-helixtrans-68.6-35173.4-64.2-36.4000111.1L82 R85 Y266 K267 L268 T273 I274L82-D270 HydrophobicContact CD1-CB 3.94Å; L82-D270 HydrophobicContact CD2-CB 4.07Å; L82-D270 WeakPolarHBondContact CD2-O 3.45Å; R85-D270 IonicContact CZ-OD1 2.72Å; R85-D270 IonicContact NH2-OD1 3.3Å; R85-D270 PolarHBondContact NH2-OD1 2.71Å; R85-D270 IonicContact NH2-OD2 3.19Å; Y266-D270 VanDerWaalsContact CA-OD2 3.27Å; Y266-D270 WeakPolarHBondContact CA-OD2 3.27Å; K267-D270 PolarHBondContact N-OD2 2.59Å; K267-D270 VanDerWaalsContact O-CB 3.29Å; K267-D270 WeakPolarHBondContact O-CB 3.39Å; K267-D270 PolarHBondContact O-N 3.41Å; L268-D270 PolarHBondContact O-N 3.46Å; D270-T273 WeakPolarHBondContact O-CA 3.4Å; D270-T273 VanDerWaalsContact O-CB 3.31Å; D270-T273 WeakPolarHBondContact O-CB 3.45Å; D270-T273 PolarHBondContact O-N 3.46Å; D270-T273 VanDerWaalsContact O-N 3.14Å; D270-I274 WeakPolarHBondContact O-CG1 3.39Å; D270-I274 PolarHBondContact O-N 3.45Å
271L98Very high97.2Very high0 Ų043.7 Ų43.70%020%0.201CC..Hα-helixtrans-69-38.8175.6-85.4-66.1000111.8Y252 F255 L268 D269 T273 I274 F275 L298 W306Y252-L271 HydrophobicContact CD2-CD2 3.87Å; F255-L271 HydrophobicContact CB-CD1 3.77Å; F255-L271 HydrophobicContact CB-CD2 4.12Å; F255-L271 HydrophobicContact CB-CG 4.33Å; F255-L271 HydrophobicContact CD1-CD1 4.32Å; F255-L271 HydrophobicContact CD1-CD2 3.45Å; F255-L271 VanDerWaalsContact CD1-CD2 3.45Å; F255-L271 HydrophobicContact CD1-CG 4.46Å; F255-L271 HydrophobicContact CD2-CD1 4.03Å; F255-L271 HydrophobicContact CE1-CD2 3.94Å; F255-L271 HydrophobicContact CG-CD1 3.78Å; F255-L271 HydrophobicContact CG-CD2 3.81Å; F255-L271 HydrophobicContact CG-CG 4.36Å; L268-L271 PolarHBondContact O-N 2.78Å; D269-L271 VanDerWaalsContact C-N 3.34Å; L271-T273 VanDerWaalsContact C-N 3.25Å; L271-T273 PolarHBondContact O-N 2.91Å; L271-I274 HydrophobicContact CD1-CD1 4.24Å; L271-I274 PolarHBondContact O-N 2.68Å; L271-F275 WeakPolarHBondContact O-CB 3.09Å; L271-F275 PolarHBondContact O-N 2.83Å; L271-L298 HydrophobicContact CD1-CD2 4.5Å; L271-W306 HydrophobicContact CB-CH2 4.01Å; L271-W306 HydrophobicContact CB-CZ2 3.23Å; L271-W306 HydrophobicContact CG-CZ2 4.23Å
272K97.8Very high97Very high54 Ų5443 Ų4324%0.23520%0.197CC..Hα-helixtrans-59.4-40169.3-170.9-171.7171.5-173.70111.6Y239 D269 F275 L276 W306Y239-K272 PolarHBondContact OH-NZ 2.99Å; D269-K272 WeakPolarHBondContact O-CB 3.37Å; D269-K272 PolarHBondContact O-N 3Å; D269-K272 WeakPolarHBondContact OD1-CD 3.49Å; D269-K272 IonicContact OD1-NZ 3.38Å; D269-K272 PolarHBondContact OD1-NZ 2.73Å; K272-F275 PolarHBondContact O-N 3.03Å; K272-L276 HydrophobicContact CG-CD1 4.39Å; K272-L276 WeakPolarHBondContact O-CB 3.29Å; K272-L276 VanDerWaalsContact O-CG 3.31Å; K272-L276 WeakPolarHBondContact O-CG 3.41Å; K272-L276 PolarHBondContact O-N 2.82Å; K272-W306 HydrophobicContact CB-CE3 3.83Å; K272-W306 HydrophobicContact CB-CH2 4.06Å; K272-W306 HydrophobicContact CB-CZ3 3.46Å; K272-W306 VanDerWaalsContact CB-CZ3 3.46Å; K272-W306 HydrophobicContact CG-CE3 4.16Å; K272-W306 HydrophobicContact CG-CZ3 4.04Å
273T98.4Very high96.8Very high8 Ų837 Ų375%0.04917%0.171CC..Hα-helixtrans-64.8-42.9177.5-62.70000110.9F79 L82 D269 D270 L271 L276 A277F79-T273 HydrophobicContact CD1-CG2 3.58Å; F79-T273 HydrophobicContact CE1-CG2 4Å; F79-T273 WeakPolarHBondContact CE1-O 3.22Å; L82-T273 HydrophobicContact CB-CG2 4.44Å; L82-T273 HydrophobicContact CD2-CG2 3.86Å; D269-T273 WeakPolarHBondContact O-CB 3.27Å; D269-T273 PolarHBondContact O-N 3.42Å; D269-T273 PolarHBondContact O-OG1 3.35Å; D270-T273 WeakPolarHBondContact O-CA 3.4Å; D270-T273 VanDerWaalsContact O-CB 3.31Å; D270-T273 WeakPolarHBondContact O-CB 3.45Å; D270-T273 PolarHBondContact O-N 3.46Å; D270-T273 VanDerWaalsContact O-N 3.14Å; L271-T273 VanDerWaalsContact C-N 3.25Å; L271-T273 PolarHBondContact O-N 2.91Å; T273-L276 PolarHBondContact O-N 2.7Å; T273-A277 WeakPolarHBondContact O-CB 3.33Å; T273-A277 PolarHBondContact O-N 2.85Å
274I98.4Very high96.6Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-60-48.8173.1-68.2164.5000110.9L82 F255 D270 L271 L276 A277 C278 W294 L297 L298L82-I274 HydrophobicContact CD2-CD1 4.2Å; L82-I274 HydrophobicContact CD2-CG1 3.65Å; F255-I274 HydrophobicContact CD2-CD1 4.2Å; F255-I274 HydrophobicContact CE1-CD1 4.49Å; F255-I274 HydrophobicContact CE2-CD1 3.53Å; F255-I274 HydrophobicContact CZ-CD1 3.69Å; D270-I274 WeakPolarHBondContact O-CG1 3.39Å; D270-I274 PolarHBondContact O-N 3.45Å; L271-I274 HydrophobicContact CD1-CD1 4.24Å; L271-I274 PolarHBondContact O-N 2.68Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 PolarHBondContact O-N 3.48Å; I274-A277 PolarHBondContact O-N 3.43Å; I274-C278 WeakPolarHBondContact O-CB 3.42Å; I274-C278 PolarHBondContact O-N 3.12Å; I274-W294 HydrophobicContact CG1-CE3 4.35Å; I274-W294 HydrophobicContact CG1-CZ3 4.44Å; I274-W294 WeakPolarHBondContact CG2-O 2.8Å; I274-L297 HydrophobicContact CD1-CB 4.23Å; I274-L297 HydrophobicContact CD1-CD1 3.78Å; I274-L297 HydrophobicContact CG1-CD1 3.87Å; I274-L297 HydrophobicContact CG2-CB 3.65Å; I274-L297 HydrophobicContact CG2-CD1 4.11Å; I274-L297 HydrophobicContact CG2-CG 4.49Å; I274-L298 HydrophobicContact CB-CD2 4.43Å; I274-L298 HydrophobicContact CG2-CD1 4.28Å; I274-L298 HydrophobicContact CG2-CD2 3.7Å; I274-L298 HydrophobicContact CG2-CG 3.74Å
275F98Very high96.1Very high6 Ų624.8 Ų24.83%0.02612%0.121CC..Hα-helixtrans-56.8-44.8176.9179.1-94.8000112L30 L271 K272 A279 L298 Y303 W306 E307L30-F275 HydrophobicContact CD2-CD2 4.39Å; L30-F275 HydrophobicContact CD2-CE2 3.68Å; L30-F275 HydrophobicContact CD2-CZ 3.87Å; L271-F275 WeakPolarHBondContact O-CB 3.09Å; L271-F275 PolarHBondContact O-N 2.83Å; K272-F275 PolarHBondContact O-N 3.03Å; F275-A279 VanDerWaalsContact O-CB 3.27Å; F275-A279 WeakPolarHBondContact O-CB 3.38Å; F275-A279 PolarHBondContact O-N 3.13Å; F275-L298 HydrophobicContact CB-CD1 4.46Å; F275-L298 HydrophobicContact CD2-CD1 4.29Å; F275-Y303 HydrophobicContact CE2-CD1 4.3Å; F275-W306 HydrophobicContact CB-CB 4.06Å; F275-W306 HydrophobicContact CB-CG 4.24Å; F275-W306 HydrophobicContact CD1-CB 4.05Å; F275-W306 HydrophobicContact CD2-CB 3.48Å; F275-W306 VanDerWaalsContact CD2-CB 3.48Å; F275-W306 HydrophobicContact CD2-CG 4.33Å; F275-W306 HydrophobicContact CE1-CB 4.34Å; F275-W306 HydrophobicContact CE2-CB 3.81Å; F275-W306 HydrophobicContact CG-CB 3.59Å; F275-W306 HydrophobicContact CG-CG 4.3Å; F275-W306 HydrophobicContact CZ-CB 4.21Å; F275-E307 HydrophobicContact CZ-CB 4.37Å
276L97.9Very high95.3Very high41 Ų4124 Ų2422%0.21512%0.117CC..Hα-helixtrans-68-41.7177.5-71.1174.6000112.6K33 F79 K272 T273 I274 A279 Y280K33-L276 HydrophobicContact CG-CD2 4.25Å; F79-L276 HydrophobicContact CE1-CB 4.09Å; F79-L276 HydrophobicContact CZ-CB 4.18Å; K272-L276 HydrophobicContact CG-CD1 4.39Å; K272-L276 WeakPolarHBondContact O-CB 3.29Å; K272-L276 VanDerWaalsContact O-CG 3.31Å; K272-L276 WeakPolarHBondContact O-CG 3.41Å; K272-L276 PolarHBondContact O-N 2.82Å; T273-L276 PolarHBondContact O-N 2.7Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 PolarHBondContact O-N 3.48Å; L276-A279 PolarHBondContact O-N 3.01Å; L276-Y280 WeakPolarHBondContact O-CB 3.41Å; L276-Y280 VanDerWaalsContact O-CD2 3.27Å; L276-Y280 WeakPolarHBondContact O-CD2 3.39Å; L276-Y280 PolarHBondContact O-N 3.33Å
277A97.5Very high94.3Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-60.1-50.4176.900000110.7F79 P106 T273 I274 A279 Y280 E281 W294F79-A277 HydrophobicContact CD1-CB 3.78Å; F79-A277 HydrophobicContact CE1-CB 3.77Å; F79-A277 HydrophobicContact CG-CB 4.22Å; F79-A277 HydrophobicContact CZ-CB 4.16Å; P106-A277 HydrophobicContact CG-CB 4.38Å; T273-A277 WeakPolarHBondContact O-CB 3.33Å; T273-A277 PolarHBondContact O-N 2.85Å; I274-A277 PolarHBondContact O-N 3.43Å; A277-A279 PolarHBondContact O-N 3.36Å; A277-Y280 PolarHBondContact O-N 3.18Å; A277-E281 WeakPolarHBondContact O-CG 3.47Å; A277-E281 PolarHBondContact O-N 3.26Å; A277-W294 HydrophobicContact CB-CB 4.05Å; A277-W294 HydrophobicContact CB-CD2 3.61Å; A277-W294 HydrophobicContact CB-CE3 3.83Å; A277-W294 HydrophobicContact CB-CG 3.72Å; A277-W294 HydrophobicContact CB-CZ3 4.5Å
278C96.3Very high93.3Very high0 Ų032.7 Ų32.70%016%0.155CC..Hα-helixtrans-53.8-52.3172.9170.30000111.1I274 Y280 E281 V282 W294 C295 L298I274-C278 WeakPolarHBondContact O-CB 3.42Å; I274-C278 PolarHBondContact O-N 3.12Å; C278-Y280 PolarHBondContact O-N 2.62Å; C278-E281 PolarHBondContact O-N 3.12Å; C278-V282 WeakPolarHBondContact O-CB 3.42Å; C278-V282 VanDerWaalsContact O-CG2 3.26Å; C278-V282 WeakPolarHBondContact O-CG2 3.06Å; C278-V282 PolarHBondContact O-N 3.23Å; C278-W294 HydrophobicContact CB-CB 4.25Å; C278-C295 VanDerWaalsContact CA-SG 3.53Å; C278-C295 HydrophobicContact CB-CB 3.99Å; C278-C295 WeakPolarHBondContact CB-SG 3.34Å; C278-C295 WeakPolarHBondContact SG-CA 3.45Å; C278-C295 WeakPolarHBondContact SG-CB 3.39Å; C278-C295 CovalentContact SG-SG 2.04Å; C278-C295 PolarHBondContact SG-SG 3.47Å; C278-L298 HydrophobicContact CB-CD1 4.18Å
279A96.8Very high92.4Very high0 Ų034.7 Ų34.70%017%0.166CC..Hα-helixtrans-63.3-41.6-175.400000113.5L30 K33 F275 L276 A277 A283L30-A279 HydrophobicContact CB-CB 4.02Å; L30-A279 HydrophobicContact CD1-CB 3.98Å; L30-A279 HydrophobicContact CD2-CB 4.09Å; L30-A279 HydrophobicContact CG-CB 4.25Å; K33-A279 HydrophobicContact CB-CB 3.67Å; F275-A279 VanDerWaalsContact O-CB 3.27Å; F275-A279 WeakPolarHBondContact O-CB 3.38Å; F275-A279 PolarHBondContact O-N 3.13Å; L276-A279 PolarHBondContact O-N 3.01Å; A277-A279 PolarHBondContact O-N 3.36Å; A279-A283 VanDerWaalsContact O-CB 3.32Å; A279-A283 WeakPolarHBondContact O-CB 3.46Å; A279-A283 PolarHBondContact O-N 3.49Å
280Y96.5Very high91.7Very high6 Ų637.1 Ų37.12%0.02418%0.179CC..Hα-helixtrans-67.2-41.6177.5-88.7-74000112.1K33 R69 P71 F79 F107 L276 A277 C278 A283 A284 F425K33-Y280 HydrophobicContact CD-CD2 4.42Å; K33-Y280 HydrophobicContact CD-CE1 3.99Å; K33-Y280 HydrophobicContact CD-CE2 3.84Å; K33-Y280 WeakPolarHBondContact CE-OH 3.24Å; K33-Y280 HydrophobicContact CG-CE2 4.49Å; R69-Y280 PolarHBondContact NH1-OH 3.48Å; R69-Y280 WeakPolarHBondContact O-CE1 3.14Å; P71-Y280 HydrophobicContact CB-CD1 4.49Å; P71-Y280 HydrophobicContact CB-CD2 4.21Å; P71-Y280 HydrophobicContact CB-CE1 4.15Å; P71-Y280 HydrophobicContact CB-CE2 3.89Å; P71-Y280 HydrophobicContact CG-CD1 3.86Å; P71-Y280 HydrophobicContact CG-CD2 3.88Å; P71-Y280 HydrophobicContact CG-CE1 4Å; P71-Y280 HydrophobicContact CG-CE2 4.05Å; P71-Y280 HydrophobicContact CG-CG 3.8Å; F79-Y280 HydrophobicContact CZ-CD2 4.27Å; F107-Y280 VanDerWaalsContact CE2-CB 3.47Å; F107-Y280 HydrophobicContact CE2-CG 4.38Å; F107-Y280 WeakPolarHBondContact CZ-O 3.01Å; L276-Y280 WeakPolarHBondContact O-CB 3.41Å; L276-Y280 VanDerWaalsContact O-CD2 3.27Å; L276-Y280 WeakPolarHBondContact O-CD2 3.39Å; L276-Y280 PolarHBondContact O-N 3.33Å; A277-Y280 PolarHBondContact O-N 3.18Å; C278-Y280 PolarHBondContact O-N 2.62Å; Y280-A283 PolarHBondContact O-N 3.47Å; Y280-A284 WeakPolarHBondContact O-CB 3.24Å; Y280-A284 PolarHBondContact O-N 3.25Å; Y280-F425 HydrophobicContact CD1-CE2 4.48Å; Y280-F425 HydrophobicContact CD1-CZ 4.17Å; Y280-F425 AromaticContact CE1-CZ 3.8Å; Y280-F425 HydrophobicContact CE1-CZ 3.8Å
281E94.1Very high91.2Very high23 Ų2340.4 Ų40.411%0.10720%0.196CC..Hα-helixtrans-68.6-44.3177.8-71.2-162.9153.100112.2H103 P106 F107 A277 C278 A283 A284 M285 S292H103-E281 IonicContact CD2-OE1 2.69Å; H103-E281 IonicContact CD2-OE2 3.76Å; H103-E281 IonicContact CE1-OE1 3.87Å; H103-E281 IonicContact CE1-OE2 3.23Å; H103-E281 IonicContact NE2-OE1 3.77Å; H103-E281 PolarHBondContact NE2-OE1 2.8Å; H103-E281 IonicContact NE2-OE2 2.7Å; H103-E281 PolarHBondContact NE2-OE2 3.43Å; P106-E281 HydrophobicContact CB-CG 3.99Å; P106-E281 WeakPolarHBondContact CB-OE1 3.44Å; P106-E281 HydrophobicContact CG-CG 4.28Å; P106-E281 VanDerWaalsContact CG-OE1 3.27Å; P106-E281 WeakPolarHBondContact CG-OE1 3.44Å; F107-E281 HydrophobicContact CE2-CG 4.01Å; F107-E281 HydrophobicContact CZ-CG 4.16Å; A277-E281 WeakPolarHBondContact O-CG 3.47Å; A277-E281 PolarHBondContact O-N 3.26Å; C278-E281 PolarHBondContact O-N 3.12Å; E281-A283 PolarHBondContact O-N 2.87Å; E281-A284 PolarHBondContact O-N 3.12Å; E281-M285 WeakPolarHBondContact O-CB 3.41Å; E281-M285 PolarHBondContact O-N 3.11Å; E281-S292 WeakPolarHBondContact OE2-CB 3.49Å; E281-S292 PolarHBondContact OE2-OG 3.5Å
282V92.6Very high90.8Very high0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-58.1-38173.9168.40000111.3F27 L30 R37 F38 C278 M285 L291 C295F27-V282 HydrophobicContact CB-CG1 3.99Å; F27-V282 HydrophobicContact CD1-CG1 3.97Å; F27-V282 HydrophobicContact CD1-CG2 3.98Å; F27-V282 HydrophobicContact CE1-CG2 4.03Å; F27-V282 HydrophobicContact CG-CG1 3.95Å; L30-V282 HydrophobicContact CD1-CB 4.43Å; L30-V282 HydrophobicContact CD1-CG1 4.15Å; R37-V282 PolarHBondContact NH2-O 3.33Å; F38-V282 HydrophobicContact CD2-CG1 3.76Å; F38-V282 HydrophobicContact CE2-CG1 3.56Å; C278-V282 WeakPolarHBondContact O-CB 3.42Å; C278-V282 VanDerWaalsContact O-CG2 3.26Å; C278-V282 WeakPolarHBondContact O-CG2 3.06Å; C278-V282 PolarHBondContact O-N 3.23Å; V282-M285 HydrophobicContact CB-CE 4.4Å; V282-M285 HydrophobicContact CG1-CE 4.07Å; V282-M285 HydrophobicContact CG2-CE 4.39Å; V282-M285 HydrophobicContact CG2-SD 4.42Å; V282-M285 WeakPolarHBondContact O-CG 3.25Å; V282-L291 HydrophobicContact CG2-CD1 3.92Å; V282-C295 WeakPolarHBondContact CG2-SG 3.41Å
283A94Very high90.6Very high0 Ų038.4 Ų38.40%019%0.189CC..Hα-helixtrans-65.2-43.1174.300000112.5A35 R37 T68 R118 A279 Y280 E281 F425A35-A283 HydrophobicContact CB-CB 3.77Å; R37-A283 PolarHBondContact NH1-O 3.49Å; T68-A283 HydrophobicContact CG2-CB 3.98Å; R118-A283 WeakPolarHBondContact CG-O 3.48Å; A279-A283 VanDerWaalsContact O-CB 3.32Å; A279-A283 WeakPolarHBondContact O-CB 3.46Å; A279-A283 PolarHBondContact O-N 3.49Å; Y280-A283 PolarHBondContact O-N 3.47Å; E281-A283 PolarHBondContact O-N 2.87Å; A283-F425 HydrophobicContact CB-CD2 3.69Å; A283-F425 HydrophobicContact CB-CE2 3.75Å
284A91.6Very high90.5Very high5 Ų538 Ų384%0.04119%0.187CC..Hα-helixtrans-78.7-30.8-172.700000114.6T68 F107 L116 W176 Y280 E281T68-A284 HydrophobicContact CG2-CB 4.44Å; F107-A284 HydrophobicContact CE1-CB 3.78Å; F107-A284 HydrophobicContact CZ-CB 3.89Å; L116-A284 HydrophobicContact CD1-CB 3.89Å; W176-A284 HydrophobicContact CH2-CB 4.05Å; Y280-A284 WeakPolarHBondContact O-CB 3.24Å; Y280-A284 PolarHBondContact O-N 3.25Å; E281-A284 PolarHBondContact O-N 3.12Å
285M85.3Confident90.4Very high29 Ų2938.2 Ų38.214%0.14319%0.188CC..SBendtrans-65153.6-172.574.8-170.5-174.100113.1R37 F38 R118 E281 V282 D289R37-M285 PolarHBondContact NH2-O 3.14Å; F38-M285 HydrophobicContact CE2-CE 4.02Å; F38-M285 HydrophobicContact CZ-CE 4.03Å; R118-M285 PolarHBondContact NE-O 2.9Å; R118-M285 PolarHBondContact NH2-O 3.38Å; E281-M285 WeakPolarHBondContact O-CB 3.41Å; E281-M285 PolarHBondContact O-N 3.11Å; V282-M285 HydrophobicContact CB-CE 4.4Å; V282-M285 HydrophobicContact CG1-CE 4.07Å; V282-M285 HydrophobicContact CG2-CE 4.39Å; V282-M285 HydrophobicContact CG2-SD 4.42Å; V282-M285 WeakPolarHBondContact O-CG 3.25Å; M285-D289 WeakPolarHBondContact CA-OD2 3.42Å; M285-D289 HydrophobicContact CB-CB 3.95Å; M285-D289 WeakPolarHBondContact CB-OD2 3.08Å
286D80.3Confident90.2Very high57 Ų5740.3 Ų40.331%0.30520%0.204SC..  trans-78.8167.7170.5-72.6-42.9000111.2Y288 D289D286-Y288 VanDerWaalsContact C-N 3.25Å; D286-Y288 PolarHBondContact O-N 3.46Å; D286-D289 PolarHBondContact N-OD2 3.07Å; D286-D289 PolarHBondContact O-N 3.45Å
287D76.6Confident90.2Very high109 Ų10938.4 Ų38.458%0.58319%0.193SC*.THydrogen-bonded Turntrans-73.3-17.2-170.6-61-30.9000113.7R37 R118R37-D287 WeakPolarHBondContact CD-OD1 3.38Å; R37-D287 IonicContact CZ-OD1 3.37Å; R37-D287 IonicContact NE-OD1 3.64Å; R37-D287 PolarHBondContact NE-OD1 2.84Å; R37-D287 VanDerWaalsContact NE-OD1 3.11Å; R118-D287 IonicContact CZ-OD1 3.68Å; R118-D287 IonicContact NH1-OD1 3.11Å; R118-D287 IonicContact NH1-OD2 2.7Å; R118-D287 IonicContact NH2-OD1 2.73Å; R118-D287 PolarHBondContact NH2-OD1 3.08Å; R118-D287 IonicContact NH2-OD2 3.5Å
288Y76.1Confident90.1Very high226 Ų22639 Ų3989%0.88620%0.196SC*.THydrogen-bonded Turntrans-102.1-0.5177.7-54.9-70.6000113.3D286D286-Y288 VanDerWaalsContact C-N 3.25Å; D286-Y288 PolarHBondContact O-N 3.46Å
289D79.7Confident90.1Very high84 Ų8440.3 Ų40.345%0.44921%0.205SC..SBendtrans-70.6145.3179-73.7-17.7000110.4M285 D286M285-D289 WeakPolarHBondContact CA-OD2 3.42Å; M285-D289 HydrophobicContact CB-CB 3.95Å; M285-D289 WeakPolarHBondContact CB-OD2 3.08Å; D286-D289 PolarHBondContact N-OD2 3.07Å; D286-D289 PolarHBondContact O-N 3.45Å
290D81.3Confident89.8Confident121 Ų12143.9 Ų43.965%0.64723%0.228SC*.PPolyproline II helixtrans-60.9145167.7-78.9-28.1000110.8K99 S292K99-D290 IonicContact NZ-OD2 3.39Å; K99-D290 PolarHBondContact NZ-OD2 3.09Å; D290-S292 PolarHBondContact O-N 2.9Å
291L87.2Confident89.7Confident79 Ų7947 Ų4741%0.41424%0.24SC..PPolyproline II helixtrans-54.8134.5173.6-17963.9000111.2F27 V282 P293 C295F27-L291 HydrophobicContact CE1-CD1 3.78Å; F27-L291 HydrophobicContact CE2-CD1 3.82Å; F27-L291 HydrophobicContact CE2-CD2 4.45Å; F27-L291 HydrophobicContact CZ-CD1 3.24Å; F27-L291 HydrophobicContact CZ-CD2 3.7Å; F27-L291 HydrophobicContact CZ-CG 4.11Å; V282-L291 HydrophobicContact CG2-CD1 3.92Å; L291-P293 WeakPolarHBondContact O-CD 3.31Å; L291-C295 HydrophobicContact CD1-CB 4.17Å; L291-C295 HydrophobicContact CD2-CB 4.16Å; L291-C295 HydrophobicContact CG-CB 4.12Å
292S90.6Very high89.7Confident6 Ų646 Ų464%0.04224%0.235CC..PPolyproline II helixtrans-46.5123.6174.5168.20000111.7E281 D290 W294 C295E281-S292 WeakPolarHBondContact OE2-CB 3.49Å; E281-S292 PolarHBondContact OE2-OG 3.5Å; D290-S292 PolarHBondContact O-N 2.9Å; S292-W294 PolarHBondContact O-N 3.4Å; S292-W294 VanDerWaalsContact O-N 3.13Å; S292-W294 WeakPolarHBondContact OG-CB 3.41Å; S292-W294 PolarHBondContact OG-N 2.93Å; S292-C295 VanDerWaalsContact O-CB 3.31Å; S292-C295 WeakPolarHBondContact O-CB 3.33Å; S292-C295 PolarHBondContact O-N 2.83Å
293P94.3Very high89.8Confident7 Ų746.6 Ų46.65%0.04524%0.238CC..G310 helixtrans-58.9-23.3174.8-27.838.1000113.4K99 L100 H103 L291 C295 S296K99-P293 HydrophobicContact CB-CG 4.33Å; K99-P293 HydrophobicContact CD-CG 3.94Å; K99-P293 HydrophobicContact CG-CB 4.42Å; K99-P293 HydrophobicContact CG-CG 3.72Å; L100-P293 HydrophobicContact CB-CB 3.98Å; L100-P293 HydrophobicContact CD1-CB 3.99Å; H103-P293 HydrophobicContact CB-CB 4.45Å; H103-P293 HydrophobicContact CB-CG 4.03Å; L291-P293 WeakPolarHBondContact O-CD 3.31Å; P293-C295 VanDerWaalsContact C-N 3.27Å; P293-C295 PolarHBondContact O-N 3.18Å; P293-S296 WeakPolarHBondContact O-CB 3.5Å; P293-S296 PolarHBondContact O-N 2.72Å; P293-S296 VanDerWaalsContact O-N 3.15Å; P293-S296 PolarHBondContact O-OG 3.11Å
294W95.8Very high89.8Confident0 Ų047.1 Ų47.10%024%0.241CC..G310 helixtrans-61.8-36.1173.1-68.392.9000112.2F79 L82 H83 L86 L100 H103 P106 I274 A277 C278 S292 S296 L297F79-W294 WeakPolarHBondContact O-CH2 3.44Å; L82-W294 HydrophobicContact CD2-CZ3 4.16Å; L82-W294 HydrophobicContact CG-CZ3 4.33Å; H83-W294 HydrophobicContact CB-CH2 3.94Å; H83-W294 HydrophobicContact CB-CZ2 4.09Å; H83-W294 AromaticContact CD2-CZ2 3.97Å; L86-W294 HydrophobicContact CD1-CZ3 4.27Å; L100-W294 HydrophobicContact CD1-CD2 3.77Å; L100-W294 HydrophobicContact CD1-CE3 4.21Å; L100-W294 HydrophobicContact CD1-CG 3.96Å; L100-W294 HydrophobicContact CD1-CZ2 4.42Å; H103-W294 AromaticContact CD2-CD1 3.92Å; H103-W294 AromaticContact CD2-NE1 3.74Å; P106-W294 HydrophobicContact CG-CZ2 4.17Å; I274-W294 HydrophobicContact CG1-CE3 4.35Å; I274-W294 HydrophobicContact CG1-CZ3 4.44Å; I274-W294 WeakPolarHBondContact CG2-O 2.8Å; A277-W294 HydrophobicContact CB-CB 4.05Å; A277-W294 HydrophobicContact CB-CD2 3.61Å; A277-W294 HydrophobicContact CB-CE3 3.83Å; A277-W294 HydrophobicContact CB-CG 3.72Å; A277-W294 HydrophobicContact CB-CZ3 4.5Å; C278-W294 HydrophobicContact CB-CB 4.25Å; S292-W294 PolarHBondContact O-N 3.4Å; S292-W294 VanDerWaalsContact O-N 3.13Å; S292-W294 WeakPolarHBondContact OG-CB 3.41Å; S292-W294 PolarHBondContact OG-N 2.93Å; W294-S296 PolarHBondContact O-N 2.77Å; W294-L297 HydrophobicContact CE3-CD1 4.2Å; W294-L297 WeakPolarHBondContact O-CB 3.44Å; W294-L297 PolarHBondContact O-N 3.48Å
295C95.2Very high90.1Very high3 Ų346.9 Ų46.92%0.0224%0.239CC..G310 helixtrans-65.5-25.7177.1-57.60000112.7F27 C278 V282 L291 S292 P293 L297 L298 Y303F27-C295 HydrophobicContact CE1-CB 4.42Å; C278-C295 VanDerWaalsContact CA-SG 3.53Å; C278-C295 HydrophobicContact CB-CB 3.99Å; C278-C295 WeakPolarHBondContact CB-SG 3.34Å; C278-C295 WeakPolarHBondContact SG-CA 3.45Å; C278-C295 WeakPolarHBondContact SG-CB 3.39Å; C278-C295 CovalentContact SG-SG 2.04Å; C278-C295 PolarHBondContact SG-SG 3.47Å; V282-C295 WeakPolarHBondContact CG2-SG 3.41Å; L291-C295 HydrophobicContact CD1-CB 4.17Å; L291-C295 HydrophobicContact CD2-CB 4.16Å; L291-C295 HydrophobicContact CG-CB 4.12Å; S292-C295 VanDerWaalsContact O-CB 3.31Å; S292-C295 WeakPolarHBondContact O-CB 3.33Å; S292-C295 PolarHBondContact O-N 2.83Å; P293-C295 VanDerWaalsContact C-N 3.27Å; P293-C295 PolarHBondContact O-N 3.18Å; C295-L297 PolarHBondContact O-N 3.32Å; C295-L298 PolarHBondContact O-N 3.05Å; C295-L298 VanDerWaalsContact O-N 3.11Å; C295-Y303 PolarHBondContact O-OH 3.07Å
296S94.8Very high90.7Very high51 Ų5145.7 Ų45.736%0.35723%0.233SC..G310 helixtrans-69.9-17.7177770000113.8R258 P293 W294 L298R258-S296 PolarHBondContact NH1-O 3.36Å; P293-S296 WeakPolarHBondContact O-CB 3.5Å; P293-S296 PolarHBondContact O-N 2.72Å; P293-S296 VanDerWaalsContact O-N 3.15Å; P293-S296 PolarHBondContact O-OG 3.11Å; W294-S296 PolarHBondContact O-N 2.77Å; S296-L298 PolarHBondContact O-N 3.45Å
297L97.3Very high91.4Very high0 Ų043.1 Ų43.10%022%0.219CC..G310 helixtrans-75.7-14.2172.9-61.5-178000112.4L86 L100 F255 R258 F259 I274 W294 C295L86-L297 HydrophobicContact CD1-CD1 3.82Å; L100-L297 HydrophobicContact CD2-CD1 3.69Å; L100-L297 HydrophobicContact CD2-CD2 3.97Å; L100-L297 HydrophobicContact CD2-CG 4.05Å; F255-L297 HydrophobicContact CE2-CB 4.44Å; R258-L297 PolarHBondContact NH2-O 2.61Å; F259-L297 HydrophobicContact CD2-CD2 4.44Å; F259-L297 HydrophobicContact CE1-CD2 4.15Å; F259-L297 HydrophobicContact CE2-CB 4.35Å; F259-L297 HydrophobicContact CE2-CD2 3.74Å; F259-L297 HydrophobicContact CZ-CD2 3.57Å; I274-L297 HydrophobicContact CD1-CB 4.23Å; I274-L297 HydrophobicContact CD1-CD1 3.78Å; I274-L297 HydrophobicContact CG1-CD1 3.87Å; I274-L297 HydrophobicContact CG2-CB 3.65Å; I274-L297 HydrophobicContact CG2-CD1 4.11Å; I274-L297 HydrophobicContact CG2-CG 4.49Å; W294-L297 HydrophobicContact CE3-CD1 4.2Å; W294-L297 WeakPolarHBondContact O-CB 3.44Å; W294-L297 PolarHBondContact O-N 3.48Å; C295-L297 PolarHBondContact O-N 3.32Å
298L96.5Very high92.4Very high12 Ų1238.1 Ų38.16%0.06319%0.192CC..  trans-98.7155178-57.8169000110.9L271 I274 F275 C278 C295 S296 D302 Y303L271-L298 HydrophobicContact CD1-CD2 4.5Å; I274-L298 HydrophobicContact CB-CD2 4.43Å; I274-L298 HydrophobicContact CG2-CD1 4.28Å; I274-L298 HydrophobicContact CG2-CD2 3.7Å; I274-L298 HydrophobicContact CG2-CG 3.74Å; F275-L298 HydrophobicContact CB-CD1 4.46Å; F275-L298 HydrophobicContact CD2-CD1 4.29Å; C278-L298 HydrophobicContact CB-CD1 4.18Å; C295-L298 PolarHBondContact O-N 3.05Å; C295-L298 VanDerWaalsContact O-N 3.11Å; S296-L298 PolarHBondContact O-N 3.45Å; L298-D302 HydrophobicContact CB-CB 4.24Å; L298-D302 HydrophobicContact CD2-CB 3.95Å; L298-Y303 HydrophobicContact CB-CE2 3.92Å; L298-Y303 HydrophobicContact CD1-CE1 3.92Å
299T94.7Very high93.5Very high29 Ų2927.6 Ų27.618%0.17815%0.151CC..  trans-109.3163.9171.467.40000110.3R258 Y301 D302 Y303R258-T299 VanDerWaalsContact CZ-CG2 3.48Å; R258-T299 VanDerWaalsContact NH2-CG2 3.29Å; T299-Y301 PolarHBondContact O-N 3.47Å; T299-Y301 VanDerWaalsContact O-N 3.07Å; T299-Y301 PolarHBondContact OG1-N 2.99Å; T299-D302 WeakPolarHBondContact CA-OD2 3.39Å; T299-D302 WeakPolarHBondContact CB-OD2 3.42Å; T299-D302 PolarHBondContact N-OD2 3.18Å; T299-D302 WeakPolarHBondContact O-CB 3.41Å; T299-D302 PolarHBondContact O-N 3.27Å; T299-D302 VanDerWaalsContact OG1-CG 3.28Å; T299-D302 PolarHBondContact OG1-OD2 2.68Å; T299-Y303 VanDerWaalsContact O-CD2 3.25Å; T299-Y303 WeakPolarHBondContact O-CD2 3.4Å
300P91.8Very high94.4Very high75 Ų7524.7 Ų24.749%0.48714%0.139SC..THydrogen-bonded Turntrans-49.5-31.2171.2-33.739.9000115F26 P304F26-P300 HydrophobicContact CE1-CB 3.54Å; F26-P300 HydrophobicContact CE1-CG 4.11Å; F26-P300 HydrophobicContact CE2-CG 4.24Å; F26-P300 HydrophobicContact CZ-CB 3.55Å; F26-P300 HydrophobicContact CZ-CG 3.64Å; P300-P304 VanDerWaalsContact O-CD 3.24Å; P300-P304 WeakPolarHBondContact O-CD 3.31Å
301Y92.9Very high95.1Very high72 Ų7219 Ų1928%0.28211%0.108SC..THydrogen-bonded Turntrans-68.4-34.2176.3176.6-98.5000112.9Y247 N250 T299 P304 V305Y247-Y301 WeakPolarHBondContact CA-OH 3.42Å; Y247-Y301 PolarHBondContact O-OH 3.14Å; N250-Y301 HydrophobicContact CB-CE1 4.28Å; T299-Y301 PolarHBondContact O-N 3.47Å; T299-Y301 VanDerWaalsContact O-N 3.07Å; T299-Y301 PolarHBondContact OG1-N 2.99Å; Y301-P304 WeakPolarHBondContact O-CD 3.29Å; Y301-P304 WeakPolarHBondContact O-CG 3.5Å; Y301-V305 HydrophobicContact CD1-CG2 4.35Å; Y301-V305 HydrophobicContact CE1-CG2 3.95Å; Y301-V305 HydrophobicContact CE2-CG2 4.42Å; Y301-V305 WeakPolarHBondContact O-CG2 3.17Å
302D95.6Very high95.7Very high0 Ų015.2 Ų15.20%09%0.089CC..Hα-helixtrans-73.6-36.7-171.3-60.4-49.2000112.1S251 L298 T299 V305 W306S251-D302 WeakPolarHBondContact CA-OD1 3.43Å; S251-D302 WeakPolarHBondContact CB-OD1 3.33Å; S251-D302 PolarHBondContact OG-OD1 3.44Å; L298-D302 HydrophobicContact CB-CB 4.24Å; L298-D302 HydrophobicContact CD2-CB 3.95Å; T299-D302 WeakPolarHBondContact CA-OD2 3.39Å; T299-D302 WeakPolarHBondContact CB-OD2 3.42Å; T299-D302 PolarHBondContact N-OD2 3.18Å; T299-D302 WeakPolarHBondContact O-CB 3.41Å; T299-D302 PolarHBondContact O-N 3.27Å; T299-D302 VanDerWaalsContact OG1-CG 3.28Å; T299-D302 PolarHBondContact OG1-OD2 2.68Å; D302-V305 PolarHBondContact O-N 3.19Å; D302-W306 PolarHBondContact O-N 3.37Å
303Y94.7Very high96Very high14 Ų1418.9 Ų18.96%0.05510%0.104CC..Hα-helixtrans-54.7-57.8-177.3-71.1-82.5000113.7F26 F27 L30 F275 C295 L298 T299 V305 W306 E307F26-Y303 HydrophobicContact CB-CD1 4.13Å; F26-Y303 HydrophobicContact CB-CD2 3.88Å; F26-Y303 HydrophobicContact CB-CE1 4.26Å; F26-Y303 HydrophobicContact CB-CE2 4.03Å; F26-Y303 HydrophobicContact CB-CG 3.94Å; F26-Y303 AromaticContact CD1-CD2 3.91Å; F26-Y303 HydrophobicContact CD1-CD2 3.91Å; F26-Y303 HydrophobicContact CD1-CG 4.3Å; F26-Y303 AromaticContact CG-CD2 4Å; F26-Y303 HydrophobicContact CG-CD2 4Å; F26-Y303 HydrophobicContact CG-CE2 4.23Å; F26-Y303 HydrophobicContact CG-CG 4.44Å; F27-Y303 HydrophobicContact CE1-CE1 4.4Å; L30-Y303 HydrophobicContact CD2-CD1 3.94Å; L30-Y303 HydrophobicContact CD2-CE1 4.09Å; F275-Y303 HydrophobicContact CE2-CD1 4.3Å; C295-Y303 PolarHBondContact O-OH 3.07Å; L298-Y303 HydrophobicContact CB-CE2 3.92Å; L298-Y303 HydrophobicContact CD1-CE1 3.92Å; T299-Y303 VanDerWaalsContact O-CD2 3.25Å; T299-Y303 WeakPolarHBondContact O-CD2 3.4Å; Y303-V305 VanDerWaalsContact C-N 3.28Å; Y303-V305 PolarHBondContact O-N 2.86Å; Y303-W306 PolarHBondContact O-N 3.31Å; Y303-E307 VanDerWaalsContact O-CB 3.23Å; Y303-E307 WeakPolarHBondContact O-CB 3.37Å; Y303-E307 PolarHBondContact O-N 3.29Å
304P94.1Very high96.2Very high10 Ų1019.6 Ų19.67%0.06511%0.107CC..Hα-helixtrans-66-30.4-179.829.2-38.6000112.7P300 Y301 Y308 F399 L403P300-P304 VanDerWaalsContact O-CD 3.24Å; P300-P304 WeakPolarHBondContact O-CD 3.31Å; Y301-P304 WeakPolarHBondContact O-CD 3.29Å; Y301-P304 WeakPolarHBondContact O-CG 3.5Å; P304-Y308 WeakPolarHBondContact O-CB 3.23Å; P304-Y308 PolarHBondContact O-N 2.83Å; P304-F399 HydrophobicContact CB-CZ 4.43Å; P304-L403 HydrophobicContact CB-CD2 3.55Å; P304-L403 HydrophobicContact CG-CD2 3.84Å
305V96.8Very high96.3Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-65-51.9177.4172.20000110.6F242 I248 Y301 D302 Y303 Y308 L309 F399F242-V305 HydrophobicContact CE1-CG1 4.19Å; F242-V305 WeakPolarHBondContact CE1-O 3.5Å; F242-V305 HydrophobicContact CZ-CG1 4.31Å; I248-V305 HydrophobicContact CD1-CG1 3.54Å; I248-V305 HydrophobicContact CG1-CG1 4.1Å; Y301-V305 HydrophobicContact CD1-CG2 4.35Å; Y301-V305 HydrophobicContact CE1-CG2 3.95Å; Y301-V305 HydrophobicContact CE2-CG2 4.42Å; Y301-V305 WeakPolarHBondContact O-CG2 3.17Å; D302-V305 PolarHBondContact O-N 3.19Å; Y303-V305 VanDerWaalsContact C-N 3.28Å; Y303-V305 PolarHBondContact O-N 2.86Å; V305-Y308 PolarHBondContact O-N 3.44Å; V305-L309 PolarHBondContact O-N 2.66Å; V305-F399 HydrophobicContact CB-CZ 4.28Å; V305-F399 HydrophobicContact CG2-CE1 3.77Å; V305-F399 HydrophobicContact CG2-CZ 3.64Å
306W97.4Very high96.5Very high4 Ų420.5 Ų20.52%0.01511%0.11CC..Hα-helixtrans-74.9-30.1-178-70.7105.5000112.7F243 I248 S251 L268 L271 K272 F275 D302 Y303 L309 A310F243-W306 HydrophobicContact CD2-CZ3 4.42Å; F243-W306 HydrophobicContact CE2-CH2 4.11Å; F243-W306 HydrophobicContact CE2-CZ3 4.1Å; I248-W306 HydrophobicContact CD1-CD2 4.18Å; I248-W306 HydrophobicContact CD1-CE3 4.03Å; I248-W306 HydrophobicContact CD1-CH2 3.74Å; I248-W306 HydrophobicContact CD1-CZ2 3.86Å; I248-W306 HydrophobicContact CD1-CZ3 3.81Å; I248-W306 HydrophobicContact CG2-CH2 3.98Å; I248-W306 HydrophobicContact CG2-CZ2 4.2Å; S251-W306 PolarHBondContact OG-NE1 2.73Å; L268-W306 VanDerWaalsContact O-CH2 3.32Å; L268-W306 WeakPolarHBondContact O-CH2 3.38Å; L271-W306 HydrophobicContact CB-CH2 4.01Å; L271-W306 HydrophobicContact CB-CZ2 3.23Å; L271-W306 HydrophobicContact CG-CZ2 4.23Å; K272-W306 HydrophobicContact CB-CE3 3.83Å; K272-W306 HydrophobicContact CB-CH2 4.06Å; K272-W306 HydrophobicContact CB-CZ3 3.46Å; K272-W306 VanDerWaalsContact CB-CZ3 3.46Å; K272-W306 HydrophobicContact CG-CE3 4.16Å; K272-W306 HydrophobicContact CG-CZ3 4.04Å; F275-W306 HydrophobicContact CB-CB 4.06Å; F275-W306 HydrophobicContact CB-CG 4.24Å; F275-W306 HydrophobicContact CD1-CB 4.05Å; F275-W306 HydrophobicContact CD2-CB 3.48Å; F275-W306 VanDerWaalsContact CD2-CB 3.48Å; F275-W306 HydrophobicContact CD2-CG 4.33Å; F275-W306 HydrophobicContact CE1-CB 4.34Å; F275-W306 HydrophobicContact CE2-CB 3.81Å; F275-W306 HydrophobicContact CG-CB 3.59Å; F275-W306 HydrophobicContact CG-CG 4.3Å; F275-W306 HydrophobicContact CZ-CB 4.21Å; D302-W306 PolarHBondContact O-N 3.37Å; Y303-W306 PolarHBondContact O-N 3.31Å; W306-L309 HydrophobicContact CE3-CD2 3.54Å; W306-L309 HydrophobicContact CZ3-CD2 3.38Å; W306-A310 PolarHBondContact O-N 2.79Å; W306-A310 VanDerWaalsContact O-N 3.17Å
307E96.9Very high96.6Very high4 Ų420 Ų202%0.01910%0.1CC..Hα-helixtrans-61.4-50.4167.6-171.8-177.5-160.600111.1G29 F275 Y303 L309 A310 D311 R418 S420G29-E307 WeakPolarHBondContact CA-OE1 3.33Å; G29-E307 VanDerWaalsContact CA-OE2 3.27Å; G29-E307 WeakPolarHBondContact CA-OE2 3.22Å; G29-E307 WeakPolarHBondContact O-CB 3.48Å; G29-E307 WeakPolarHBondContact O-CG 3.35Å; F275-E307 HydrophobicContact CZ-CB 4.37Å; Y303-E307 VanDerWaalsContact O-CB 3.23Å; Y303-E307 WeakPolarHBondContact O-CB 3.37Å; Y303-E307 PolarHBondContact O-N 3.29Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.01Å; E307-A310 CarbonylContact O-C 3.44Å; E307-A310 WeakPolarHBondContact O-CA 3.49Å; E307-A310 WeakPolarHBondContact O-CB 3.3Å; E307-A310 PolarHBondContact O-N 2.96Å; E307-D311 PolarHBondContact O-N 2.89Å; E307-R418 IonicContact OE1-CZ 2.65Å; E307-R418 IonicContact OE1-NE 3.1Å; E307-R418 PolarHBondContact OE1-NE 3.41Å; E307-R418 IonicContact OE1-NH2 3.16Å; E307-R418 PolarHBondContact OE1-NH2 2.74Å; E307-R418 IonicContact OE2-CZ 3.38Å; E307-R418 IonicContact OE2-NE 3.62Å; E307-R418 IonicContact OE2-NH2 3.47Å; E307-R418 PolarHBondContact OE2-NH2 3.02Å; E307-S420 WeakPolarHBondContact OE1-CB 3.26Å; E307-S420 PolarHBondContact OE1-OG 2.63Å
308Y97.3Very high96.6Very high4 Ų420.9 Ų20.92%0.01610%0.104CC..Hα-helixtrans-62.6-39.9-177.5-169.8-114.1000112.1F242 P304 V305 A310 D311 L312 L394 T395 N398 F399 R402F242-Y308 HydrophobicContact CD1-CD1 4.18Å; F242-Y308 HydrophobicContact CD2-CD1 4.01Å; F242-Y308 HydrophobicContact CD2-CE1 4.17Å; F242-Y308 AromaticContact CE1-CD1 3.92Å; F242-Y308 HydrophobicContact CE1-CD1 3.92Å; F242-Y308 AromaticContact CE2-CD1 3.74Å; F242-Y308 HydrophobicContact CE2-CD1 3.74Å; F242-Y308 HydrophobicContact CE2-CE1 4.17Å; F242-Y308 HydrophobicContact CG-CD1 4.23Å; F242-Y308 AromaticContact CZ-CD1 3.69Å; F242-Y308 HydrophobicContact CZ-CD1 3.69Å; P304-Y308 WeakPolarHBondContact O-CB 3.23Å; P304-Y308 PolarHBondContact O-N 2.83Å; V305-Y308 PolarHBondContact O-N 3.44Å; Y308-A310 VanDerWaalsContact C-N 3.3Å; Y308-A310 PolarHBondContact O-N 3.48Å; Y308-D311 PolarHBondContact O-N 3.35Å; Y308-L312 HydrophobicContact CD1-CD1 3.83Å; Y308-L312 HydrophobicContact CD1-CG 4.17Å; Y308-L312 HydrophobicContact CE1-CD1 3.65Å; Y308-L312 HydrophobicContact CE1-CD2 4.17Å; Y308-L312 HydrophobicContact CE1-CG 3.9Å; Y308-L312 WeakPolarHBondContact O-CG 3.42Å; Y308-L312 PolarHBondContact O-N 3.34Å; Y308-L394 HydrophobicContact CE2-CD2 4.16Å; Y308-L394 HydrophobicContact CE2-CG 4.16Å; Y308-T395 VanDerWaalsContact CE1-O 3.31Å; Y308-T395 WeakPolarHBondContact CE1-O 3.27Å; Y308-T395 PolarHBondContact OH-N 3.38Å; Y308-T395 PolarHBondContact OH-O 3.3Å; Y308-N398 PolarHBondContact OH-OD1 2.86Å; Y308-F399 HydrophobicContact CD1-CB 4.01Å; Y308-F399 AromaticContact CD1-CD2 3.33Å; Y308-F399 HydrophobicContact CD1-CD2 3.33Å; Y308-F399 HydrophobicContact CD1-CE2 4.09Å; Y308-F399 AromaticContact CD1-CG 3.93Å; Y308-F399 HydrophobicContact CD1-CG 3.93Å; Y308-F399 HydrophobicContact CD2-CD2 4.1Å; Y308-F399 HydrophobicContact CE1-CB 3.8Å; Y308-F399 AromaticContact CE1-CD2 3.9Å; Y308-F399 HydrophobicContact CE1-CD2 3.9Å; Y308-F399 HydrophobicContact CE1-CG 4.24Å; Y308-F399 AromaticContact CG-CD2 3.43Å; Y308-F399 HydrophobicContact CG-CD2 3.43Å; Y308-F399 VanDerWaalsContact CG-CD2 3.43Å; Y308-F399 AromaticContact CG-CE2 3.85Å; Y308-F399 HydrophobicContact CG-CE2 3.85Å; Y308-F399 HydrophobicContact CG-CG 4.45Å; Y308-R402 HydrophobicContact CD2-CB 4.44Å; Y308-R402 HydrophobicContact CD2-CG 3.72Å; Y308-R402 HydrophobicContact CE2-CB 4.09Å; Y308-R402 HydrophobicContact CE2-CG 3.75Å
309L98.3Very high96.7Very high4 Ų420.4 Ų20.42%0.02110%0.101CC..Hα-helixtrans-57-44.9171.8-177.572.3000111.3Y239 F242 F243 I248 V305 W306 E307 K313Y239-L309 HydrophobicContact CD2-CD1 3.59Å; Y239-L309 HydrophobicContact CD2-CG 3.89Å; Y239-L309 VanDerWaalsContact CD2-O 3.24Å; Y239-L309 WeakPolarHBondContact CD2-O 3.45Å; Y239-L309 HydrophobicContact CE2-CD1 3.57Å; Y239-L309 HydrophobicContact CE2-CD2 4.02Å; Y239-L309 HydrophobicContact CE2-CG 3.51Å; Y239-L309 HydrophobicContact CG-CD1 4.25Å; Y239-L309 WeakPolarHBondContact O-CD1 3.37Å; F242-L309 HydrophobicContact CB-CD1 4.4Å; F242-L309 HydrophobicContact CD1-CB 3.89Å; F242-L309 HydrophobicContact CD1-CD1 3.79Å; F242-L309 HydrophobicContact CD1-CG 4.44Å; F242-L309 HydrophobicContact CE1-CB 4.09Å; F243-L309 HydrophobicContact CB-CD1 3.9Å; F243-L309 HydrophobicContact CD2-CD1 4.26Å; F243-L309 HydrophobicContact CD2-CD2 3.75Å; F243-L309 HydrophobicContact CE2-CD2 4.38Å; I248-L309 HydrophobicContact CD1-CD2 4.15Å; V305-L309 PolarHBondContact O-N 2.66Å; W306-L309 HydrophobicContact CE3-CD2 3.54Å; W306-L309 HydrophobicContact CZ3-CD2 3.38Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.01Å; L309-K313 PolarHBondContact O-N 3.45Å
310A98Very high96.8Very high24 Ų2420 Ų2020%0.19810%0.097CC..Hα-helixtrans-67.2-40.717700000112.1S31 W306 E307 Y308 K313 H314S31-A310 WeakPolarHBondContact OG-CB 3.47Å; W306-A310 PolarHBondContact O-N 2.79Å; W306-A310 VanDerWaalsContact O-N 3.17Å; E307-A310 CarbonylContact O-C 3.44Å; E307-A310 WeakPolarHBondContact O-CA 3.49Å; E307-A310 WeakPolarHBondContact O-CB 3.3Å; E307-A310 PolarHBondContact O-N 2.96Å; Y308-A310 VanDerWaalsContact C-N 3.3Å; Y308-A310 PolarHBondContact O-N 3.48Å; A310-K313 WeakPolarHBondContact O-CB 3.36Å; A310-K313 PolarHBondContact O-N 3.34Å; A310-H314 PolarHBondContact O-CD2 3.4Å; A310-H314 PolarHBondContact O-N 2.97Å
311D97.8Very high97Very high0 Ų016.5 Ų16.50%07%0.074CC..Hα-helixtrans-63.6-41.8177.7-80.2-2.3000112S31 E307 Y308 K313 H314 Y315 L394 R402 R418 T419S31-D311 PolarHBondContact OG-OD1 2.92Å; E307-D311 PolarHBondContact O-N 2.89Å; Y308-D311 PolarHBondContact O-N 3.35Å; D311-K313 VanDerWaalsContact C-N 3.27Å; D311-K313 PolarHBondContact O-N 3.03Å; D311-H314 PolarHBondContact O-N 3.27Å; D311-H314 VanDerWaalsContact O-N 3.13Å; D311-Y315 WeakPolarHBondContact O-CB 3.47Å; D311-Y315 PolarHBondContact O-N 3.04Å; D311-L394 HydrophobicContact CB-CD2 4.42Å; D311-R402 IonicContact OD2-NH2 3.34Å; D311-R402 PolarHBondContact OD2-NH2 3.34Å; D311-R402 VanDerWaalsContact OD2-NH2 3.11Å; D311-R418 WeakPolarHBondContact OD2-CA 3.45Å; D311-T419 WeakPolarHBondContact OD1-CB 3.36Å; D311-T419 PolarHBondContact OD1-N 3.14Å; D311-T419 VanDerWaalsContact OD1-N 3.11Å; D311-T419 PolarHBondContact OD1-OG1 2.92Å; D311-T419 PolarHBondContact OD2-N 2.54Å
312L98.4Very high97.2Very high0 Ų016.5 Ų16.50%07%0.074CC..Hα-helixtrans-55.5-44.7172.1-76.7170.1000111.1E238 F242 Y308 H314 W316 L394E238-L312 HydrophobicContact CB-CD2 4.1Å; F242-L312 HydrophobicContact CB-CD1 3.4Å; F242-L312 HydrophobicContact CD1-CD1 4.05Å; F242-L312 HydrophobicContact CD2-CD1 4.36Å; F242-L312 HydrophobicContact CG-CD1 3.68Å; Y308-L312 HydrophobicContact CD1-CD1 3.83Å; Y308-L312 HydrophobicContact CD1-CG 4.17Å; Y308-L312 HydrophobicContact CE1-CD1 3.65Å; Y308-L312 HydrophobicContact CE1-CD2 4.17Å; Y308-L312 HydrophobicContact CE1-CG 3.9Å; Y308-L312 WeakPolarHBondContact O-CG 3.42Å; Y308-L312 PolarHBondContact O-N 3.34Å; L312-H314 PolarHBondContact O-N 3.32Å; L312-W316 WeakPolarHBondContact O-CB 3.36Å; L312-W316 PolarHBondContact O-N 3.46Å; L312-L394 HydrophobicContact CD2-CB 3.97Å
313K98.1Very high97.2Very high84 Ų8422.5 Ų22.537%0.36510%0.102SC..Hα-helixtrans-62.2-44.6177.3-171.7176.3178.4179.20111.8Y239 L309 A310 D311 R317Y239-K313 HydrophobicContact CD2-CB 3.71Å; Y239-K313 HydrophobicContact CD2-CD 4.47Å; Y239-K313 HydrophobicContact CD2-CG 4.4Å; Y239-K313 HydrophobicContact CE2-CB 4.17Å; Y239-K313 HydrophobicContact CE2-CD 4.27Å; Y239-K313 HydrophobicContact CG-CB 4.37Å; L309-K313 PolarHBondContact O-N 3.45Å; A310-K313 WeakPolarHBondContact O-CB 3.36Å; A310-K313 PolarHBondContact O-N 3.34Å; D311-K313 VanDerWaalsContact C-N 3.27Å; D311-K313 PolarHBondContact O-N 3.03Å; K313-R317 WeakPolarHBondContact O-CB 3.47Å; K313-R317 PolarHBondContact O-N 3.36Å
314H98.3Very high97.4Very high21 Ų2123 Ų2310%0.09711%0.106CC..Hα-helixtrans-69.3-43.1-179.8-75.4-65000112.4S32 A310 D311 L312 K318 L373 T419S32-H314 PolarHBondContact OG-CE1 3.46Å; S32-H314 PolarHBondContact OG-NE2 3.05Å; A310-H314 PolarHBondContact O-CD2 3.4Å; A310-H314 PolarHBondContact O-N 2.97Å; D311-H314 PolarHBondContact O-N 3.27Å; D311-H314 VanDerWaalsContact O-N 3.13Å; L312-H314 PolarHBondContact O-N 3.32Å; H314-K318 WeakPolarHBondContact O-CA 3.49Å; H314-K318 WeakPolarHBondContact O-CB 3.4Å; H314-K318 PolarHBondContact O-N 3.36Å; H314-L373 HydrophobicContact CB-CD1 4.16Å; H314-T419 HydrophobicContact CB-CG2 4.24Å; H314-T419 WeakPolarHBondContact CB-OG1 3.46Å
315Y98.3Very high97.5Very high2 Ų222.6 Ų22.61%0.00810%0.103CC..Hα-helixtrans-57.3-54.1178.1-176.1-88.7000111.3D311 S319 Y320 G321 K393 L394 F417D311-Y315 WeakPolarHBondContact O-CB 3.47Å; D311-Y315 PolarHBondContact O-N 3.04Å; Y315-S319 CarbonylContact O-C 3.56Å; Y315-S319 VanDerWaalsContact O-C 3.3Å; Y315-S319 PolarHBondContact O-N 2.97Å; Y315-Y320 AromaticContact CE2-CD2 3.99Å; Y315-Y320 HydrophobicContact CE2-CD2 3.99Å; Y315-Y320 HydrophobicContact CE2-CG 4.27Å; Y315-Y320 VanDerWaalsContact CZ-CB 3.49Å; Y315-Y320 WeakPolarHBondContact OH-CB 3.4Å; Y315-G321 PolarHBondContact O-N 3.05Å; Y315-K393 HydrophobicContact CE1-CB 4.11Å; Y315-K393 HydrophobicContact CE1-CG 4.43Å; Y315-K393 WeakPolarHBondContact OH-CA 3.45Å; Y315-L394 HydrophobicContact CD1-CB 4.03Å; Y315-L394 HydrophobicContact CD2-CB 4.08Å; Y315-L394 HydrophobicContact CD2-CD1 3.95Å; Y315-L394 HydrophobicContact CD2-CD2 4.01Å; Y315-L394 HydrophobicContact CD2-CG 4.23Å; Y315-L394 HydrophobicContact CE1-CB 4.29Å; Y315-L394 HydrophobicContact CE2-CB 4.31Å; Y315-L394 HydrophobicContact CE2-CD1 3.81Å; Y315-L394 HydrophobicContact CE2-CG 4.48Å; Y315-L394 HydrophobicContact CG-CB 3.93Å; Y315-L394 HydrophobicContact CG-CD2 4.23Å; Y315-L394 HydrophobicContact CG-CG 4.49Å; Y315-F417 HydrophobicContact CD2-CB 4.38Å; Y315-F417 AromaticContact CD2-CD1 3.76Å; Y315-F417 HydrophobicContact CD2-CD1 3.76Å; Y315-F417 HydrophobicContact CD2-CD2 4.12Å; Y315-F417 HydrophobicContact CD2-CE1 4.01Å; Y315-F417 HydrophobicContact CD2-CE2 4.38Å; Y315-F417 AromaticContact CD2-CG 3.81Å; Y315-F417 HydrophobicContact CD2-CG 3.81Å; Y315-F417 HydrophobicContact CD2-CZ 4.31Å; Y315-F417 HydrophobicContact CE2-CG 4.39Å; Y315-F417 HydrophobicContact CG-CE1 4.45Å
316W98.3Very high97.5Very high20 Ų2025.4 Ų25.48%0.07611%0.114CC..Hα-helixtrans-73-32-174.4-76.596.8000113.6I236 E238 L312 Y322 N325 K393 L394I236-W316 HydrophobicContact CG2-CB 4.07Å; E238-W316 HydrophobicContact CG-CD2 4.43Å; E238-W316 HydrophobicContact CG-CZ2 3.61Å; L312-W316 WeakPolarHBondContact O-CB 3.36Å; L312-W316 PolarHBondContact O-N 3.46Å; W316-Y322 HydrophobicContact CE3-CE1 4.45Å; W316-Y322 AromaticContact CE3-CE2 3.79Å; W316-Y322 HydrophobicContact CE3-CE2 3.79Å; W316-Y322 AromaticContact CE3-CZ 3.72Å; W316-Y322 HydrophobicContact CZ3-CE1 4.28Å; W316-Y322 HydrophobicContact CZ3-CE2 4.42Å; W316-Y322 AromaticContact CZ3-CZ 3.94Å; W316-Y322 VanDerWaalsContact O-CD2 3.24Å; W316-Y322 WeakPolarHBondContact O-CD2 3.32Å; W316-Y322 WeakPolarHBondContact O-CE2 3.31Å; W316-N325 PolarHBondContact O-ND2 3.43Å; W316-K393 HydrophobicContact CH2-CD 3.76Å; W316-K393 HydrophobicContact CZ2-CB 4.38Å; W316-K393 HydrophobicContact CZ2-CD 4.19Å; W316-K393 HydrophobicContact CZ3-CD 4.46Å; W316-L394 PolarHBondContact NE1-O 3.4Å
317R97.7Very high97.5Very high40 Ų4028.5 Ų28.515%0.15113%0.128CC..Hα-helixtrans-94.7-22-175.4-165.3177.8-179115-12.3113.9Y225 I229 E230 I236 K313 N325Y225-R317 VanDerWaalsContact CE2-O 3.22Å; Y225-R317 WeakPolarHBondContact CE2-O 3.22Å; Y225-R317 PolarHBondContact OH-O 3.49Å; Y225-R317 VanDerWaalsContact OH-O 3.12Å; I229-R317 HydrophobicContact CG2-CG 4.23Å; E230-R317 VanDerWaalsContact CD-NE 3.27Å; E230-R317 PolarHBondContact O-NH1 2.9Å; E230-R317 PolarHBondContact O-NH2 3.45Å; E230-R317 IonicContact OE1-CZ 3.68Å; E230-R317 IonicContact OE1-NE 3.88Å; E230-R317 PolarHBondContact OE1-NE 2.88Å; E230-R317 IonicContact OE1-NH2 2.75Å; E230-R317 PolarHBondContact OE1-NH2 2.9Å; E230-R317 IonicContact OE2-CZ 3.33Å; E230-R317 VanDerWaalsContact OE2-CZ 3.29Å; E230-R317 IonicContact OE2-NE 3.08Å; E230-R317 PolarHBondContact OE2-NE 2.88Å; E230-R317 IonicContact OE2-NH2 3.98Å; E230-R317 PolarHBondContact OE2-NH2 2.88Å; I236-R317 HydrophobicContact CG2-CB 4.03Å; K313-R317 WeakPolarHBondContact O-CB 3.47Å; K313-R317 PolarHBondContact O-N 3.36Å; R317-N325 PolarHBondContact O-OD1 2.88Å
318K97.7Very high97.4Very high20 Ų2028.4 Ų28.49%0.08713%0.128CC..Hα-helixtrans-1412.3-166.1-56.1173.9-179-179.90114.6H314 E370 L373 P374H314-K318 WeakPolarHBondContact O-CA 3.49Å; H314-K318 WeakPolarHBondContact O-CB 3.4Å; H314-K318 PolarHBondContact O-N 3.36Å; K318-E370 HydrophobicContact CD-CG 4Å; K318-E370 VanDerWaalsContact NZ-CD 3.26Å; K318-E370 IonicContact NZ-OE1 3.11Å; K318-E370 PolarHBondContact NZ-OE1 3.09Å; K318-L373 HydrophobicContact CB-CB 4.18Å; K318-L373 HydrophobicContact CB-CD1 4.14Å; K318-L373 HydrophobicContact CD-CD1 4.14Å; K318-L373 CarbonylContact O-C 3.49Å; K318-P374 VanDerWaalsContact O-CD 3.28Å; K318-P374 WeakPolarHBondContact O-CD 3.43Å; K318-P374 WeakPolarHBondContact O-CG 3.33Å
319S97.8Very high97.4Very high1 Ų128.2 Ų28.21%0.00713%0.127CC..SBendtrans-144.2-144.4-175.4-1750000109.2Y315 G321 N325 F417Y315-S319 CarbonylContact O-C 3.56Å; Y315-S319 VanDerWaalsContact O-C 3.3Å; Y315-S319 PolarHBondContact O-N 2.97Å; S319-G321 PolarHBondContact O-N 3.38Å; S319-N325 WeakPolarHBondContact O-CB 3.47Å; S319-N325 PolarHBondContact O-ND2 2.92Å; S319-F417 WeakPolarHBondContact OG-CE2 3.45Å
320Y96.8Very high97.3Very high22 Ų2228.7 Ų28.79%0.08613%0.13CC..THydrogen-bonded Turntrans-59.5-1.9-173.4-61.1-69.6000117.7Y315 Y322 Y326 A377 G380 I381 F382 N383 F417Y315-Y320 AromaticContact CE2-CD2 3.99Å; Y315-Y320 HydrophobicContact CE2-CD2 3.99Å; Y315-Y320 HydrophobicContact CE2-CG 4.27Å; Y315-Y320 VanDerWaalsContact CZ-CB 3.49Å; Y315-Y320 WeakPolarHBondContact OH-CB 3.4Å; Y320-Y322 VanDerWaalsContact C-N 3.29Å; Y320-Y322 PolarHBondContact O-N 3.5Å; Y320-Y326 HydrophobicContact CD1-CE1 4.39Å; Y320-A377 HydrophobicContact CD1-CB 4.16Å; Y320-A377 HydrophobicContact CD2-CB 4.38Å; Y320-A377 HydrophobicContact CE1-CB 3.91Å; Y320-A377 VanDerWaalsContact CE1-O 3.32Å; Y320-A377 WeakPolarHBondContact CE1-O 3.26Å; Y320-A377 HydrophobicContact CE2-CB 4.15Å; Y320-A377 HydrophobicContact CG-CB 4.38Å; Y320-A377 WeakPolarHBondContact OH-CA 3.47Å; Y320-A377 PolarHBondContact OH-O 3.15Å; Y320-G380 VanDerWaalsContact OH-CA 3.24Å; Y320-G380 WeakPolarHBondContact OH-CA 3.27Å; Y320-G380 PolarHBondContact OH-O 3.01Å; Y320-I381 PolarHBondContact OH-N 3.24Å; Y320-I381 PolarHBondContact OH-O 2.84Å; Y320-F382 WeakPolarHBondContact CE2-O 3.41Å; Y320-N383 HydrophobicContact CE1-CB 4.03Å; Y320-N383 HydrophobicContact CE2-CB 4.08Å; Y320-F417 HydrophobicContact CD2-CD2 4.23Å; Y320-F417 HydrophobicContact CE2-CD2 4.36Å
321G96.8Very high97.3Very high0 Ų028.2 Ų28.20%013%0.125CC..THydrogen-bonded Turntrans-50.9-49.6173.500000113.1Y315 S319 K393Y315-G321 PolarHBondContact O-N 3.05Å; S319-G321 PolarHBondContact O-N 3.38Å; G321-K393 PolarHBondContact O-NZ 3.39Å
322Y97Very high97.3Very high73 Ų7328.2 Ų28.229%0.28613%0.125SC..  trans-141.4144.2-178.8-53.4-77.2000110.2I229 A235 W316 Y320 L324 N325I229-Y322 HydrophobicContact CD1-CD2 3.78Å; I229-Y322 HydrophobicContact CD1-CG 3.99Å; I229-Y322 HydrophobicContact CG1-CD2 4.2Å; I229-Y322 HydrophobicContact CG2-CD2 4.34Å; A235-Y322 VanDerWaalsContact CA-OH 3.31Å; A235-Y322 WeakPolarHBondContact CA-OH 3.46Å; A235-Y322 HydrophobicContact CB-CE2 3.92Å; A235-Y322 VanDerWaalsContact O-CE2 3.26Å; A235-Y322 WeakPolarHBondContact O-CE2 3.49Å; A235-Y322 PolarHBondContact O-OH 2.74Å; W316-Y322 HydrophobicContact CE3-CE1 4.45Å; W316-Y322 AromaticContact CE3-CE2 3.79Å; W316-Y322 HydrophobicContact CE3-CE2 3.79Å; W316-Y322 AromaticContact CE3-CZ 3.72Å; W316-Y322 HydrophobicContact CZ3-CE1 4.28Å; W316-Y322 HydrophobicContact CZ3-CE2 4.42Å; W316-Y322 AromaticContact CZ3-CZ 3.94Å; W316-Y322 VanDerWaalsContact O-CD2 3.24Å; W316-Y322 WeakPolarHBondContact O-CD2 3.32Å; W316-Y322 WeakPolarHBondContact O-CE2 3.31Å; Y320-Y322 VanDerWaalsContact C-N 3.29Å; Y320-Y322 PolarHBondContact O-N 3.5Å; Y322-L324 VanDerWaalsContact C-N 3.3Å; Y322-L324 PolarHBondContact O-N 3.28Å; Y322-N325 PolarHBondContact N-ND2 3.29Å; Y322-N325 VanDerWaalsContact O-CB 3.23Å; Y322-N325 WeakPolarHBondContact O-CB 3.39Å; Y322-N325 PolarHBondContact O-N 3.26Å
323E95.8Very high97.3Very high125 Ų12528.2 Ų28.258%0.58413%0.125SC*.Hα-helixtrans-56.4-43.5179.1-177.1169.8-163.500112.9N325 Y326 E327E323-N325 PolarHBondContact O-N 3.05Å; E323-Y326 HydrophobicContact CG-CE2 3.99Å; E323-Y326 PolarHBondContact O-N 3.1Å; E323-E327 HydrophobicContact CG-CB 4.5Å; E323-E327 WeakPolarHBondContact O-CB 3.3Å; E323-E327 PolarHBondContact O-N 2.72Å
324L97Very high97.3Very high26 Ų2624.2 Ų24.214%0.13611%0.108CC..Hα-helixtrans-52.9-29.4176.6-18060.1000113.6N224 K228 I229 Y322 Y326 Q328 V502N224-L324 HydrophobicContact CB-CD1 4.46Å; N224-L324 HydrophobicContact CB-CD2 3.99Å; K228-L324 HydrophobicContact CD-CD2 4.46Å; I229-L324 HydrophobicContact CD1-CB 4.17Å; I229-L324 HydrophobicContact CD1-CD2 4.08Å; I229-L324 HydrophobicContact CD1-CG 4.33Å; Y322-L324 VanDerWaalsContact C-N 3.3Å; Y322-L324 PolarHBondContact O-N 3.28Å; L324-Y326 VanDerWaalsContact C-N 3.28Å; L324-Y326 PolarHBondContact O-N 3.48Å; L324-Q328 VanDerWaalsContact O-CG 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.23Å; L324-Q328 PolarHBondContact O-N 3.19Å; L324-V502 HydrophobicContact CD1-CG1 3.72Å
325N97.3Very high97.3Very high0 Ų026 Ų260%012%0.116CC..Hα-helixtrans-61-39.2179.9-71-20.1000112.1I229 W316 R317 S319 Y322 E323 Q328 P374I229-N325 WeakPolarHBondContact CD1-OD1 3.42Å; W316-N325 PolarHBondContact O-ND2 3.43Å; R317-N325 PolarHBondContact O-OD1 2.88Å; S319-N325 WeakPolarHBondContact O-CB 3.47Å; S319-N325 PolarHBondContact O-ND2 2.92Å; Y322-N325 PolarHBondContact N-ND2 3.29Å; Y322-N325 VanDerWaalsContact O-CB 3.23Å; Y322-N325 WeakPolarHBondContact O-CB 3.39Å; Y322-N325 PolarHBondContact O-N 3.26Å; E323-N325 PolarHBondContact O-N 3.05Å; N325-Q328 WeakPolarHBondContact O-CG 3.45Å; N325-Q328 PolarHBondContact O-NE2 2.88Å; N325-P374 WeakPolarHBondContact O-CB 3.49Å
326Y96.9Very high97.3Very high60 Ų6025.9 Ų25.924%0.23512%0.116CC..Hα-helixtrans-104.4-28.3-177.558.1-100.8000113.1Y320 E323 L324 Q328 S329 P374 A377 A378Y320-Y326 HydrophobicContact CD1-CE1 4.39Å; E323-Y326 HydrophobicContact CG-CE2 3.99Å; E323-Y326 PolarHBondContact O-N 3.1Å; L324-Y326 VanDerWaalsContact C-N 3.28Å; L324-Y326 PolarHBondContact O-N 3.48Å; Y326-Q328 VanDerWaalsContact C-N 3.27Å; Y326-Q328 PolarHBondContact O-N 2.75Å; Y326-S329 WeakPolarHBondContact O-CB 3.42Å; Y326-S329 PolarHBondContact O-N 2.99Å; Y326-S329 PolarHBondContact O-OG 2.59Å; Y326-P374 VanDerWaalsContact CB-O 3.25Å; Y326-P374 WeakPolarHBondContact CB-O 3.29Å; Y326-A377 HydrophobicContact CD1-CB 3.99Å; Y326-A377 HydrophobicContact CG-CB 4.12Å; Y326-A378 HydrophobicContact CD2-CB 4.36Å
327E96.3Very high97.3Very high69 Ų6925.1 Ų25.132%0.32211%0.113SC..Hα-helixtrans-58.5-37.5174-170.2-174.7-172.200112.5E323 S329 C330 Y497 V502E323-E327 HydrophobicContact CG-CB 4.5Å; E323-E327 WeakPolarHBondContact O-CB 3.3Å; E323-E327 PolarHBondContact O-N 2.72Å; E327-S329 PolarHBondContact O-N 2.94Å; E327-S329 VanDerWaalsContact O-N 3.08Å; E327-C330 VanDerWaalsContact O-CB 3.28Å; E327-C330 WeakPolarHBondContact O-CB 3.42Å; E327-C330 PolarHBondContact O-N 3.25Å; E327-C330 VanDerWaalsContact O-N 3.08Å; E327-Y497 HydrophobicContact CG-CE2 4.45Å; E327-Y497 PolarHBondContact O-OH 2.69Å; E327-V502 HydrophobicContact CB-CG1 4.35Å; E327-V502 HydrophobicContact CG-CG1 3.92Å; E327-V502 HydrophobicContact CG-CG2 4.12Å; E327-V502 VanDerWaalsContact OE1-CG2 3.24Å; E327-V502 WeakPolarHBondContact OE1-CG2 3.42Å
328Q96.2Very high97.3Very high2 Ų225.3 Ų25.31%0.00912%0.116CC..THydrogen-bonded Turntrans-63.1-14.1175.466.1178-38.900113.8F218 L324 N325 Y326 P331F218-Q328 WeakPolarHBondContact CB-O 3.45Å; F218-Q328 HydrophobicContact CD2-CB 4.22Å; F218-Q328 HydrophobicContact CD2-CG 3.57Å; F218-Q328 HydrophobicContact CE2-CG 3.8Å; F218-Q328 WeakPolarHBondContact CG-O 3.3Å; L324-Q328 VanDerWaalsContact O-CG 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.23Å; L324-Q328 PolarHBondContact O-N 3.19Å; N325-Q328 WeakPolarHBondContact O-CG 3.45Å; N325-Q328 PolarHBondContact O-NE2 2.88Å; Y326-Q328 VanDerWaalsContact C-N 3.27Å; Y326-Q328 PolarHBondContact O-N 2.75Å; Q328-P331 WeakPolarHBondContact O-CD 3.44Å
329S97Very high97.3Very high0 Ų024.9 Ų24.90%011%0.114CC..THydrogen-bonded Turntrans-87-8177.676.20000113.3F218 Y326 E327 P331 L332 L333F218-S329 VanDerWaalsContact CZ-CB 3.48Å; Y326-S329 WeakPolarHBondContact O-CB 3.42Å; Y326-S329 PolarHBondContact O-N 2.99Å; Y326-S329 PolarHBondContact O-OG 2.59Å; E327-S329 PolarHBondContact O-N 2.94Å; E327-S329 VanDerWaalsContact O-N 3.08Å; S329-P331 VanDerWaalsContact C-CD 3.44Å; S329-P331 VanDerWaalsContact C-N 3.34Å; S329-L332 PolarHBondContact O-N 3.17Å; S329-L333 PolarHBondContact O-N 2.96Å; S329-L333 VanDerWaalsContact O-N 3.09Å
330C97Very high97.4Very high13 Ų1324.8 Ų24.89%0.08811%0.114CC..Hα-helixtrans-50.1-41.4178.7-91.40000114.3E327 L332 L333 G334 C492 Y497E327-C330 VanDerWaalsContact O-CB 3.28Å; E327-C330 WeakPolarHBondContact O-CB 3.42Å; E327-C330 PolarHBondContact O-N 3.25Å; E327-C330 VanDerWaalsContact O-N 3.08Å; C330-L332 VanDerWaalsContact C-N 3.28Å; C330-L332 PolarHBondContact O-N 3.14Å; C330-L333 PolarHBondContact O-N 3.2Å; C330-G334 PolarHBondContact O-N 3.3Å; C330-C492 VanDerWaalsContact CA-SG 3.58Å; C330-C492 HydrophobicContact CB-CB 3.53Å; C330-C492 WeakPolarHBondContact CB-SG 3.44Å; C330-C492 WeakPolarHBondContact SG-CB 3.2Å; C330-C492 CovalentContact SG-SG 2.06Å; C330-C492 PolarHBondContact SG-SG 2.96Å; C330-Y497 HydrophobicContact CB-CD2 3.47Å; C330-Y497 VanDerWaalsContact CB-CD2 3.47Å; C330-Y497 HydrophobicContact CB-CE1 4.39Å; C330-Y497 HydrophobicContact CB-CE2 3.32Å; C330-Y497 HydrophobicContact CB-CG 4.09Å
331P96.7Very high97.4Very high14 Ų1427.4 Ų27.49%0.09112%0.124CC..Hα-helixtrans-55.9-41.7177.6-28.836.8000113.3Y214 L215 Q328 S329 E335 Y497Y214-P331 HydrophobicContact CE1-CB 3.98Å; L215-P331 HydrophobicContact CD2-CB 3.8Å; Q328-P331 WeakPolarHBondContact O-CD 3.44Å; S329-P331 VanDerWaalsContact C-CD 3.44Å; S329-P331 VanDerWaalsContact C-N 3.34Å; P331-E335 WeakPolarHBondContact O-CB 3.29Å; P331-E335 PolarHBondContact O-N 2.65Å; P331-E335 VanDerWaalsContact O-N 3.12Å; P331-Y497 HydrophobicContact CG-CD1 3.78Å; P331-Y497 HydrophobicContact CG-CE1 3.43Å; P331-Y497 VanDerWaalsContact CG-CE1 3.43Å
332L98.1Very high97.5Very high0 Ų030.7 Ų30.70%014%0.142CC..Hα-helixtrans-72-44176.8173.161.4000111.2L63 L215 L216 F218 S329 C330 E335 I336 W365 T371 I375L63-L332 HydrophobicContact CD1-CD2 4.04Å; L63-L332 HydrophobicContact CD2-CD2 4.04Å; L215-L332 HydrophobicContact CB-CB 4.26Å; L215-L332 HydrophobicContact CB-CD1 4.07Å; L216-L332 HydrophobicContact CD2-CD1 4.33Å; L216-L332 HydrophobicContact CD2-CD2 4.18Å; F218-L332 HydrophobicContact CE1-CD2 4.4Å; S329-L332 PolarHBondContact O-N 3.17Å; C330-L332 VanDerWaalsContact C-N 3.28Å; C330-L332 PolarHBondContact O-N 3.14Å; L332-E335 PolarHBondContact O-N 3.13Å; L332-I336 HydrophobicContact CD1-CD1 4.08Å; L332-I336 HydrophobicContact CD1-CG1 4.32Å; L332-I336 HydrophobicContact CG-CD1 4.12Å; L332-I336 WeakPolarHBondContact O-CG1 3.05Å; L332-I336 PolarHBondContact O-N 3.05Å; L332-W365 HydrophobicContact CD1-CD2 4.28Å; L332-W365 HydrophobicContact CD1-CE3 4.12Å; L332-W365 HydrophobicContact CD1-CZ3 4.41Å; L332-T371 HydrophobicContact CD2-CG2 3.58Å; L332-I375 HydrophobicContact CB-CD1 4.3Å; L332-I375 HydrophobicContact CD2-CD1 4.09Å; L332-I375 HydrophobicContact CD2-CG1 4.12Å; L332-I375 HydrophobicContact CG-CD1 4.14Å
333L98Very high97.6Very high0 Ų027.3 Ų27.30%013%0.128CC..Hα-helixtrans-63.1-43.2179.2-176.655.8000111.9S329 C330 I336 I337 I375 A378 L379 F431 F489S329-L333 PolarHBondContact O-N 2.96Å; S329-L333 VanDerWaalsContact O-N 3.09Å; C330-L333 PolarHBondContact O-N 3.2Å; L333-I336 PolarHBondContact O-N 3.06Å; L333-I337 HydrophobicContact CD1-CD1 4.01Å; L333-I337 HydrophobicContact CD1-CG1 4.35Å; L333-I337 HydrophobicContact CG-CD1 3.92Å; L333-I337 VanDerWaalsContact O-CG1 3.3Å; L333-I337 WeakPolarHBondContact O-CG1 3.49Å; L333-I337 PolarHBondContact O-N 3.4Å; L333-I375 HydrophobicContact CB-CD1 3.84Å; L333-A378 HydrophobicContact CD2-CB 3.95Å; L333-L379 HydrophobicContact CD1-CD2 4.11Å; L333-F431 HydrophobicContact CD1-CE1 4.46Å; L333-F431 HydrophobicContact CD1-CZ 4.16Å; L333-F489 HydrophobicContact CD2-CD1 3.54Å; L333-F489 HydrophobicContact CD2-CE1 3.5Å; L333-F489 HydrophobicContact CD2-CG 4.29Å; L333-F489 HydrophobicContact CD2-CZ 4.2Å; L333-F489 HydrophobicContact CG-CD1 4.37Å
334G98Very high97.7Very high0 Ų021.3 Ų21.30%010%0.1CC..Hα-helixtrans-61.7-41.8175.500000112.4C330 I337 Q338 C492C330-G334 PolarHBondContact O-N 3.3Å; G334-I337 PolarHBondContact O-N 3.01Å; G334-Q338 WeakPolarHBondContact O-CB 3.34Å; G334-Q338 PolarHBondContact O-N 3.43Å; G334-C492 WeakPolarHBondContact CA-O 3.49Å
335E98.2Very high97.7Very high59 Ų5921.6 Ų21.628%0.27610%0.102SC..Hα-helixtrans-62.4-43.8174.1-178.959.3-149.200111.9L215 P331 L332 Q338 Q339 W365L215-E335 HydrophobicContact CD1-CB 4.01Å; L215-E335 HydrophobicContact CD1-CG 3.8Å; P331-E335 WeakPolarHBondContact O-CB 3.29Å; P331-E335 PolarHBondContact O-N 2.65Å; P331-E335 VanDerWaalsContact O-N 3.12Å; L332-E335 PolarHBondContact O-N 3.13Å; E335-Q338 PolarHBondContact O-N 3.5Å; E335-Q339 WeakPolarHBondContact O-CG 3.47Å; E335-Q339 PolarHBondContact O-N 2.89Å; E335-Q339 PolarHBondContact OE1-NE2 3Å; E335-W365 HydrophobicContact CG-CH2 3.68Å; E335-W365 HydrophobicContact CG-CZ2 4.2Å
336I98.6Very high97.7Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-59.7-49.1176-70.2168.6000110.6N61 L332 L333 Q338 Q339 I340 W365 F431N61-I336 HydrophobicContact CB-CG2 4.26Å; L332-I336 HydrophobicContact CD1-CD1 4.08Å; L332-I336 HydrophobicContact CD1-CG1 4.32Å; L332-I336 HydrophobicContact CG-CD1 4.12Å; L332-I336 WeakPolarHBondContact O-CG1 3.05Å; L332-I336 PolarHBondContact O-N 3.05Å; L333-I336 PolarHBondContact O-N 3.06Å; I336-Q338 VanDerWaalsContact C-N 3.34Å; I336-Q338 PolarHBondContact O-N 3.04Å; I336-Q339 PolarHBondContact O-N 2.7Å; I336-I340 HydrophobicContact CG2-CD1 3.94Å; I336-I340 WeakPolarHBondContact O-CG1 3.43Å; I336-I340 PolarHBondContact O-N 2.81Å; I336-W365 HydrophobicContact CG1-CZ2 4.5Å; I336-F431 HydrophobicContact CD1-CE2 4.12Å; I336-F431 HydrophobicContact CG2-CD2 3.82Å; I336-F431 HydrophobicContact CG2-CE2 4Å; I336-F431 HydrophobicContact CG2-CG 4.1Å; I336-F431 HydrophobicContact CG2-CZ 4.41Å
337I98.3Very high97.6Very high3 Ų322 Ų222%0.01511%0.108CC..Hα-helixtrans-65.7-38.9-179.6-66.5169.5000110.8L333 G334 Q339 I340 Y341 I485 L486 F489 M493L333-I337 HydrophobicContact CD1-CD1 4.01Å; L333-I337 HydrophobicContact CD1-CG1 4.35Å; L333-I337 HydrophobicContact CG-CD1 3.92Å; L333-I337 VanDerWaalsContact O-CG1 3.3Å; L333-I337 WeakPolarHBondContact O-CG1 3.49Å; L333-I337 PolarHBondContact O-N 3.4Å; G334-I337 PolarHBondContact O-N 3.01Å; I337-Q339 PolarHBondContact O-N 3.23Å; I337-I340 PolarHBondContact O-N 3.21Å; I337-Y341 WeakPolarHBondContact O-CB 3.33Å; I337-Y341 PolarHBondContact O-N 3.31Å; I337-I485 HydrophobicContact CD1-CG2 4Å; I337-I485 HydrophobicContact CG1-CG2 4.16Å; I337-I485 HydrophobicContact CG2-CG2 4.31Å; I337-L486 HydrophobicContact CG2-CD2 3.8Å; I337-F489 HydrophobicContact CD1-CB 3.4Å; I337-F489 HydrophobicContact CD1-CD1 4.46Å; I337-F489 HydrophobicContact CD1-CD2 3.55Å; I337-F489 HydrophobicContact CD1-CE2 4.47Å; I337-F489 HydrophobicContact CD1-CG 3.54Å; I337-M493 HydrophobicContact CB-SD 4.2Å; I337-M493 HydrophobicContact CG2-CE 4.4Å; I337-M493 HydrophobicContact CG2-SD 3.76Å
338Q98.2Very high97.5Very high44 Ų4420.7 Ų20.721%0.20610%0.102CC..Hα-helixtrans-62.4-42.2176.1-174.864.367.200111.7G334 E335 I336 Y341 N342 M493G334-Q338 WeakPolarHBondContact O-CB 3.34Å; G334-Q338 PolarHBondContact O-N 3.43Å; E335-Q338 PolarHBondContact O-N 3.5Å; I336-Q338 VanDerWaalsContact C-N 3.34Å; I336-Q338 PolarHBondContact O-N 3.04Å; Q338-Y341 PolarHBondContact O-N 3.38Å; Q338-N342 PolarHBondContact NE2-OD1 3.37Å; Q338-N342 WeakPolarHBondContact O-CB 3.23Å; Q338-N342 PolarHBondContact O-N 3.41Å; Q338-N342 PolarHBondContact O-ND2 3.27Å; Q338-N342 PolarHBondContact O-OD1 3.25Å; Q338-M493 HydrophobicContact CB-CE 4.22Å; Q338-M493 VanDerWaalsContact OE1-CE 3.23Å
339Q98.3Very high97.5Very high11 Ų1127.6 Ų27.65%0.05113%0.132CC..Hα-helixtrans-62.4-45.2174.5-72.3178.218.800111.4N61 E335 I336 I337 Y341 N342 V343 H360 S363 W365N61-Q339 PolarHBondContact ND2-OE1 2.47Å; E335-Q339 WeakPolarHBondContact O-CG 3.47Å; E335-Q339 PolarHBondContact O-N 2.89Å; E335-Q339 PolarHBondContact OE1-NE2 3Å; I336-Q339 PolarHBondContact O-N 2.7Å; I337-Q339 PolarHBondContact O-N 3.23Å; Q339-Y341 PolarHBondContact O-N 3.39Å; Q339-N342 PolarHBondContact O-N 2.95Å; Q339-V343 WeakPolarHBondContact O-CG2 3.42Å; Q339-V343 PolarHBondContact O-N 2.86Å; Q339-H360 PolarHBondContact OE1-CE1 2.96Å; Q339-S363 PolarHBondContact OE1-OG 3.42Å; Q339-W365 VanDerWaalsContact NE2-CZ2 3.28Å
340I98.5Very high97.3Very high0 Ų031.6 Ų31.60%015%0.15CC..Hα-helixtrans-60.4-46177-68.4168.7000111.1I336 I337 V343 A344 F431 L433 I450 L482I336-I340 HydrophobicContact CG2-CD1 3.94Å; I336-I340 WeakPolarHBondContact O-CG1 3.43Å; I336-I340 PolarHBondContact O-N 2.81Å; I337-I340 PolarHBondContact O-N 3.21Å; I340-V343 PolarHBondContact O-N 2.74Å; I340-A344 PolarHBondContact O-N 3.13Å; I340-F431 HydrophobicContact CD1-CB 3.81Å; I340-F431 HydrophobicContact CD1-CG 4.37Å; I340-L433 HydrophobicContact CG2-CB 4.3Å; I340-L433 HydrophobicContact CG2-CD1 3.76Å; I340-L433 HydrophobicContact CG2-CD2 4.03Å; I340-L433 HydrophobicContact CG2-CG 4.23Å; I340-I450 HydrophobicContact CD1-CD1 4.48Å; I340-I450 HydrophobicContact CG2-CD1 3.88Å; I340-I450 HydrophobicContact CG2-CG1 4.12Å; I340-L482 HydrophobicContact CG2-CD1 4.07Å
341Y98.1Very high97.1Very high76 Ų7637.9 Ų37.930%0.29818%0.183SC..Hα-helixtrans-59.6-48.4176.2172.6-102.9000111.9I337 Q338 Q339 V343 A344 I345 L445 L486I337-Y341 WeakPolarHBondContact O-CB 3.33Å; I337-Y341 PolarHBondContact O-N 3.31Å; Q338-Y341 PolarHBondContact O-N 3.38Å; Q339-Y341 PolarHBondContact O-N 3.39Å; Y341-V343 PolarHBondContact O-N 3.08Å; Y341-A344 PolarHBondContact O-N 2.67Å; Y341-A344 VanDerWaalsContact O-N 3.12Å; Y341-I345 HydrophobicContact CD1-CG1 4.29Å; Y341-I345 HydrophobicContact CD2-CG1 4.17Å; Y341-I345 HydrophobicContact CE1-CG1 3.85Å; Y341-I345 HydrophobicContact CE2-CD1 3.82Å; Y341-I345 HydrophobicContact CE2-CG1 3.72Å; Y341-I345 HydrophobicContact CG-CG1 4.46Å; Y341-I345 WeakPolarHBondContact O-CG1 3.27Å; Y341-I345 PolarHBondContact O-N 3.25Å; Y341-L445 HydrophobicContact CE2-CD1 4.18Å; Y341-L486 HydrophobicContact CD2-CD1 3.73Å; Y341-L486 HydrophobicContact CD2-CD2 4.29Å; Y341-L486 HydrophobicContact CE2-CD1 4.17Å; Y341-L486 HydrophobicContact CG-CD2 4.48Å
342N98Very high96.9Very high70 Ų7040.3 Ų40.337%0.37419%0.191SC..Hα-helixtrans-59.4-38.1179-70.7-13.2000111.7Q338 Q339 N346Q338-N342 PolarHBondContact NE2-OD1 3.37Å; Q338-N342 WeakPolarHBondContact O-CB 3.23Å; Q338-N342 PolarHBondContact O-N 3.41Å; Q338-N342 PolarHBondContact O-ND2 3.27Å; Q338-N342 PolarHBondContact O-OD1 3.25Å; Q339-N342 PolarHBondContact O-N 2.95Å; N342-N346 VanDerWaalsContact O-CB 3.3Å; N342-N346 WeakPolarHBondContact O-CB 3.21Å; N342-N346 PolarHBondContact O-N 3.27Å; N342-N346 PolarHBondContact O-ND2 3.41Å
343V98.2Very high96.6Very high1 Ų142.8 Ų42.81%0.00621%0.208CC..Hα-helixtrans-65-46.61751740000111.4V58 H59 Q339 I340 Y341 I345 N346 F347 L359 H360 L433V58-V343 HydrophobicContact CG1-CG1 3.8Å; H59-V343 HydrophobicContact CB-CB 4.4Å; H59-V343 HydrophobicContact CB-CG1 3.93Å; H59-V343 HydrophobicContact CB-CG2 4.36Å; Q339-V343 WeakPolarHBondContact O-CG2 3.42Å; Q339-V343 PolarHBondContact O-N 2.86Å; I340-V343 PolarHBondContact O-N 2.74Å; Y341-V343 PolarHBondContact O-N 3.08Å; V343-I345 PolarHBondContact O-N 2.84Å; V343-N346 PolarHBondContact O-N 3.03Å; V343-F347 VanDerWaalsContact O-CB 3.27Å; V343-F347 WeakPolarHBondContact O-CB 3.33Å; V343-F347 PolarHBondContact O-N 2.84Å; V343-L359 HydrophobicContact CG1-CD1 4.18Å; V343-L359 HydrophobicContact CG1-CD2 4.19Å; V343-L359 HydrophobicContact CG1-CG 4.16Å; V343-H360 HydrophobicContact CG2-CB 3.93Å; V343-H360 VanDerWaalsContact CG2-O 3.23Å; V343-H360 WeakPolarHBondContact CG2-O 3.37Å; V343-L433 HydrophobicContact CB-CD2 4.26Å; V343-L433 HydrophobicContact CG1-CD2 4.03Å
344A98Very high96.2Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-57.5-48.517800000111.6I340 Y341 N346 F347 Q348 L433 F448 L482I340-A344 PolarHBondContact O-N 3.13Å; Y341-A344 PolarHBondContact O-N 2.67Å; Y341-A344 VanDerWaalsContact O-N 3.12Å; A344-N346 PolarHBondContact O-N 3.19Å; A344-F347 WeakPolarHBondContact O-CB 3.47Å; A344-F347 PolarHBondContact O-N 3.26Å; A344-Q348 WeakPolarHBondContact O-CG 3.18Å; A344-Q348 PolarHBondContact O-N 3.35Å; A344-L433 HydrophobicContact CB-CD2 4.46Å; A344-F448 HydrophobicContact CB-CD1 3.84Å; A344-F448 HydrophobicContact CB-CD2 4.02Å; A344-F448 HydrophobicContact CB-CE1 3.86Å; A344-F448 HydrophobicContact CB-CE2 4.05Å; A344-F448 HydrophobicContact CB-CG 3.91Å; A344-F448 HydrophobicContact CB-CZ 3.95Å; A344-L482 HydrophobicContact CB-CD2 3.51Å
345I97.5Very high95.7Very high32 Ų3250.7 Ų50.716%0.16425%0.249CC..Hα-helixtrans-61.2-44.7177.4-64-58.3000111.7Y341 V343 F347 Q348 K349 L445Y341-I345 HydrophobicContact CD1-CG1 4.29Å; Y341-I345 HydrophobicContact CD2-CG1 4.17Å; Y341-I345 HydrophobicContact CE1-CG1 3.85Å; Y341-I345 HydrophobicContact CE2-CD1 3.82Å; Y341-I345 HydrophobicContact CE2-CG1 3.72Å; Y341-I345 HydrophobicContact CG-CG1 4.46Å; Y341-I345 WeakPolarHBondContact O-CG1 3.27Å; Y341-I345 PolarHBondContact O-N 3.25Å; V343-I345 PolarHBondContact O-N 2.84Å; I345-F347 VanDerWaalsContact C-N 3.32Å; I345-F347 PolarHBondContact O-N 2.95Å; I345-Q348 PolarHBondContact O-N 3.48Å; I345-K349 HydrophobicContact CG2-CD 4.12Å; I345-K349 WeakPolarHBondContact O-CG 3.35Å; I345-K349 PolarHBondContact O-N 3.06Å; I345-L445 HydrophobicContact CD1-CD2 4.11Å
346N96.8Very high95.2Very high67 Ų6748.4 Ų48.436%0.35824%0.239SC..Hα-helixtrans-69.1-32.6179.3-73-25.6000112N342 V343 A344 K349 H350 L359N342-N346 VanDerWaalsContact O-CB 3.3Å; N342-N346 WeakPolarHBondContact O-CB 3.21Å; N342-N346 PolarHBondContact O-N 3.27Å; N342-N346 PolarHBondContact O-ND2 3.41Å; V343-N346 PolarHBondContact O-N 3.03Å; A344-N346 PolarHBondContact O-N 3.19Å; N346-K349 PolarHBondContact O-N 3.17Å; N346-H350 PolarHBondContact O-N 3.38Å; N346-H350 PolarHBondContact O-ND1 3.4Å; N346-L359 HydrophobicContact CB-CD1 3.9Å
347F96.1Very high94.7Very high1 Ų153.3 Ų53.30%0.00427%0.27CS..Hα-helixtrans-65.1-44.4174.7-164.4-118.1000111.1V58 V343 A344 I345 H350 Y352 S353 Q354 L359 Y435 F448V58-F347 HydrophobicContact CG1-CB 4.41Å; V58-F347 HydrophobicContact CG1-CD1 4.32Å; V58-F347 HydrophobicContact CG1-CD2 3.86Å; V58-F347 HydrophobicContact CG1-CE2 4.13Å; V58-F347 HydrophobicContact CG1-CG 3.96Å; V58-F347 HydrophobicContact CG1-CZ 4.5Å; V58-F347 HydrophobicContact CG2-CD1 4.32Å; V58-F347 HydrophobicContact CG2-CE1 4.03Å; V58-F347 HydrophobicContact CG2-CZ 4.15Å; V343-F347 VanDerWaalsContact O-CB 3.27Å; V343-F347 WeakPolarHBondContact O-CB 3.33Å; V343-F347 PolarHBondContact O-N 2.84Å; A344-F347 WeakPolarHBondContact O-CB 3.47Å; A344-F347 PolarHBondContact O-N 3.26Å; I345-F347 VanDerWaalsContact C-N 3.32Å; I345-F347 PolarHBondContact O-N 2.95Å; F347-H350 CarbonylContact O-C 3.51Å; F347-H350 PolarHBondContact O-N 3.44Å; F347-Y352 AromaticContact CD1-CD1 3.69Å; F347-Y352 HydrophobicContact CD1-CD1 3.69Å; F347-Y352 HydrophobicContact CD1-CG 4.39Å; F347-Y352 AromaticContact CE1-CD1 3.9Å; F347-Y352 HydrophobicContact CE1-CD1 3.9Å; F347-Y352 HydrophobicContact CE1-CG 4.34Å; F347-Y352 VanDerWaalsContact CZ-C 3.44Å; F347-Y352 WeakPolarHBondContact CZ-O 3.17Å; F347-Y352 WeakPolarHBondContact O-CA 3.07Å; F347-Y352 PolarHBondContact O-N 2.86Å; F347-S353 VanDerWaalsContact CE2-O 3.31Å; F347-S353 WeakPolarHBondContact CE2-O 3.41Å; F347-Q354 HydrophobicContact CE2-CG 4.41Å; F347-Q354 HydrophobicContact CZ-CG 4.05Å; F347-L359 HydrophobicContact CB-CD1 4.44Å; F347-L359 HydrophobicContact CD2-CD2 3.63Å; F347-L359 HydrophobicContact CE2-CD2 4.27Å; F347-L359 HydrophobicContact CG-CD2 4.48Å; F347-Y435 HydrophobicContact CD1-CG 4.34Å; F347-Y435 AromaticContact CE1-CD1 3.7Å; F347-Y435 HydrophobicContact CE1-CD1 3.7Å; F347-Y435 HydrophobicContact CE1-CE1 4.34Å; F347-Y435 AromaticContact CE1-CG 3.83Å; F347-Y435 HydrophobicContact CE1-CG 3.83Å; F347-F448 HydrophobicContact CB-CE1 4.44Å; F347-F448 HydrophobicContact CB-CZ 4.35Å; F347-F448 AromaticContact CD1-CE1 3.88Å; F347-F448 HydrophobicContact CD1-CE1 3.88Å; F347-F448 AromaticContact CD1-CZ 3.9Å; F347-F448 HydrophobicContact CD1-CZ 3.9Å
348Q94.8Very high94.4Very high41 Ų4158.1 Ų58.119%0.19230%0.3CS..Hα-helixtrans-59.3-49.9173.1-70.4173.2-27.400112.2A344 I345 H350 N351 Y352 F448A344-Q348 WeakPolarHBondContact O-CG 3.18Å; A344-Q348 PolarHBondContact O-N 3.35Å; I345-Q348 PolarHBondContact O-N 3.48Å; Q348-H350 PolarHBondContact O-N 2.65Å; Q348-N351 PolarHBondContact O-N 2.95Å; Q348-Y352 HydrophobicContact CB-CE1 4.32Å; Q348-Y352 HydrophobicContact CG-CD1 4.48Å; Q348-Y352 HydrophobicContact CG-CE1 3.57Å; Q348-F448 HydrophobicContact CG-CE2 3.9Å; Q348-F448 HydrophobicContact CG-CZ 4.08Å
349K94.7Very high94.3Very high148 Ų14856.2 Ų56.264%0.64329%0.291SS*.Hα-helixtrans-57.4-25.3179-75.6175.8179.9176.30113.5I345 N346I345-K349 HydrophobicContact CG2-CD 4.12Å; I345-K349 WeakPolarHBondContact O-CG 3.35Å; I345-K349 PolarHBondContact O-N 3.06Å; N346-K349 PolarHBondContact O-N 3.17Å
350H93.4Very high94.2Very high84 Ų8457.6 Ų57.639%0.38930%0.298SS..THydrogen-bonded Turntrans-104.332.9177.8-63.987.2000112.3N346 F347 Q348 Y352 S353 N356N346-H350 PolarHBondContact O-N 3.38Å; N346-H350 PolarHBondContact O-ND1 3.4Å; F347-H350 CarbonylContact O-C 3.51Å; F347-H350 PolarHBondContact O-N 3.44Å; Q348-H350 PolarHBondContact O-N 2.65Å; H350-Y352 PolarHBondContact O-N 3.33Å; H350-Y352 VanDerWaalsContact O-N 3.16Å; H350-S353 VanDerWaalsContact O-CB 3.22Å; H350-S353 WeakPolarHBondContact O-CB 3.33Å; H350-S353 PolarHBondContact O-N 3.25Å; H350-N356 PolarHBondContact CD2-ND2 3.44Å; H350-N356 PolarHBondContact ND1-ND2 2.81Å
351N93Very high94.2Very high145 Ų14557.7 Ų57.778%0.77530%0.298SS*.THydrogen-bonded Turntrans52.238.1176.7-63-33.4000113.6Q348 S353Q348-N351 PolarHBondContact O-N 2.95Å; N351-S353 PolarHBondContact O-N 3.24Å
352Y93Very high94.2Very high65 Ų6554 Ų5426%0.25528%0.284SS..THydrogen-bonded Turntrans58.929.5179.4-50.1-84000113.5F347 Q348 H350 Q354 Y435 D444 F448F347-Y352 AromaticContact CD1-CD1 3.69Å; F347-Y352 HydrophobicContact CD1-CD1 3.69Å; F347-Y352 HydrophobicContact CD1-CG 4.39Å; F347-Y352 AromaticContact CE1-CD1 3.9Å; F347-Y352 HydrophobicContact CE1-CD1 3.9Å; F347-Y352 HydrophobicContact CE1-CG 4.34Å; F347-Y352 VanDerWaalsContact CZ-C 3.44Å; F347-Y352 WeakPolarHBondContact CZ-O 3.17Å; F347-Y352 WeakPolarHBondContact O-CA 3.07Å; F347-Y352 PolarHBondContact O-N 2.86Å; Q348-Y352 HydrophobicContact CB-CE1 4.32Å; Q348-Y352 HydrophobicContact CG-CD1 4.48Å; Q348-Y352 HydrophobicContact CG-CE1 3.57Å; H350-Y352 PolarHBondContact O-N 3.33Å; H350-Y352 VanDerWaalsContact O-N 3.16Å; Y352-Q354 PolarHBondContact O-N 3.07Å; Y352-Y435 HydrophobicContact CD1-CD1 4.27Å; Y352-Y435 HydrophobicContact CD1-CD2 4.07Å; Y352-Y435 AromaticContact CD1-CE1 3.71Å; Y352-Y435 HydrophobicContact CD1-CE1 3.71Å; Y352-Y435 AromaticContact CD1-CE2 3.51Å; Y352-Y435 HydrophobicContact CD1-CE2 3.51Å; Y352-Y435 HydrophobicContact CD1-CG 4.41Å; Y352-Y435 AromaticContact CD1-CZ 3.29Å; Y352-Y435 WeakPolarHBondContact CD1-OH 3.41Å; Y352-Y435 HydrophobicContact CE1-CD2 4.17Å; Y352-Y435 HydrophobicContact CE1-CE1 4.4Å; Y352-Y435 AromaticContact CE1-CE2 3.41Å; Y352-Y435 HydrophobicContact CE1-CE2 3.41Å; Y352-Y435 VanDerWaalsContact CE1-CE2 3.41Å; Y352-Y435 AromaticContact CE1-CZ 3.54Å; Y352-Y435 AromaticContact CG-CE1 3.99Å; Y352-Y435 HydrophobicContact CG-CE1 3.99Å; Y352-Y435 HydrophobicContact CG-CE2 4.44Å; Y352-Y435 AromaticContact CG-CZ 3.8Å; Y352-D444 PolarHBondContact OH-OD2 2.75Å; Y352-F448 HydrophobicContact CD1-CZ 4.44Å; Y352-F448 HydrophobicContact CE1-CE2 4.3Å; Y352-F448 HydrophobicContact CE1-CZ 4.18Å
353S91.8Very high94.2Very high51 Ų5150.7 Ų50.736%0.35727%0.266SS..  trans-70.2111.3-178.7178.80000112F347 H350 N351 N355 N356F347-S353 VanDerWaalsContact CE2-O 3.31Å; F347-S353 WeakPolarHBondContact CE2-O 3.41Å; H350-S353 VanDerWaalsContact O-CB 3.22Å; H350-S353 WeakPolarHBondContact O-CB 3.33Å; H350-S353 PolarHBondContact O-N 3.25Å; N351-S353 PolarHBondContact O-N 3.24Å; S353-N355 PolarHBondContact O-N 3.21Å; S353-N355 PolarHBondContact OG-N 2.84Å; S353-N356 PolarHBondContact O-N 3.25Å
354Q89.6Confident94.2Very high40 Ų4050.7 Ų50.719%0.18727%0.266CS..THydrogen-bonded Turntrans-66.4-16.7174.4-77.9-653.900114.1T56 F347 Y352 R361T56-Q354 VanDerWaalsContact CB-NE2 3.28Å; T56-Q354 PolarHBondContact OG1-NE2 3.03Å; F347-Q354 HydrophobicContact CE2-CG 4.41Å; F347-Q354 HydrophobicContact CZ-CG 4.05Å; Y352-Q354 PolarHBondContact O-N 3.07Å; Q354-R361 PolarHBondContact O-NH2 3.4Å; Q354-R361 VanDerWaalsContact OE1-NH1 3.11Å
355N86.1Confident94.3Very high126 Ų12650.7 Ų50.767%0.67427%0.266SS*.THydrogen-bonded Turntrans-101.115.8-179-63.9-19.3000112S353 P357S353-N355 PolarHBondContact O-N 3.21Å; S353-N355 PolarHBondContact OG-N 2.84Å; N355-P357 WeakPolarHBondContact O-CD 3.49Å; N355-P357 VanDerWaalsContact O-N 3.14Å
356N89.2Confident94.3Very high12 Ų1249.2 Ų49.26%0.06426%0.258CS..  trans-63.3113176-177.6-9.9000110.5H350 S353 T358 L359H350-N356 PolarHBondContact CD2-ND2 3.44Å; H350-N356 PolarHBondContact ND1-ND2 2.81Å; S353-N356 PolarHBondContact O-N 3.25Å; N356-T358 PolarHBondContact O-N 3.08Å; N356-T358 PolarHBondContact OD1-N 3.33Å; N356-T358 PolarHBondContact OD1-OG1 2.75Å; N356-L359 HydrophobicContact CB-CB 4.19Å; N356-L359 PolarHBondContact O-N 3.17Å
357P88.1Confident94.4Very high102 Ų10246 Ų4666%0.66224%0.241SC*.THydrogen-bonded Turntrans-76.1-9.6-175.833-36.3000113.1N144 N355N144-P357 PolarHBondContact ND2-O 2.81Å; N355-P357 WeakPolarHBondContact O-CD 3.49Å; N355-P357 VanDerWaalsContact O-N 3.14Å
358T90.5Very high94.5Very high105 Ų10546 Ų4664%0.64424%0.241SC*.THydrogen-bonded Turntrans-100.9-6.5-179.9670000113.1N356N356-T358 PolarHBondContact O-N 3.08Å; N356-T358 PolarHBondContact OD1-N 3.33Å; N356-T358 PolarHBondContact OD1-OG1 2.75Å
359L96.2Very high94.7Very high3 Ų344.3 Ų44.32%0.01623%0.234CC..SBendtrans-68137.6-177.2-162.570.8000110.5V58 N144 V343 N346 F347 N356 R361V58-L359 HydrophobicContact CG1-CD2 3.7Å; N144-L359 WeakPolarHBondContact CB-O 3.24Å; N144-L359 PolarHBondContact ND2-O 3.01Å; V343-L359 HydrophobicContact CG1-CD1 4.18Å; V343-L359 HydrophobicContact CG1-CD2 4.19Å; V343-L359 HydrophobicContact CG1-CG 4.16Å; N346-L359 HydrophobicContact CB-CD1 3.9Å; F347-L359 HydrophobicContact CB-CD1 4.44Å; F347-L359 HydrophobicContact CD2-CD2 3.63Å; F347-L359 HydrophobicContact CE2-CD2 4.27Å; F347-L359 HydrophobicContact CG-CD2 4.48Å; N356-L359 HydrophobicContact CB-CB 4.19Å; N356-L359 PolarHBondContact O-N 3.17Å; L359-R361 PolarHBondContact O-N 3.23Å
360H97.5Very high94.9Very high41 Ų4139.9 Ų39.919%0.1922%0.215CC..  trans-74.3110.7174.4174.5-153.3000109.9H59 N144 Q339 V343 G362 S363H59-H360 AromaticContact CE1-CE1 3.58Å; H59-H360 AromaticContact CE1-ND1 3.82Å; H59-H360 AromaticContact CE1-NE2 3.72Å; H59-H360 PolarHBondContact ND1-O 3Å; N144-H360 PolarHBondContact O-CD2 3.06Å; Q339-H360 PolarHBondContact OE1-CE1 2.96Å; V343-H360 HydrophobicContact CG2-CB 3.93Å; V343-H360 VanDerWaalsContact CG2-O 3.23Å; V343-H360 WeakPolarHBondContact CG2-O 3.37Å; H360-G362 PolarHBondContact CD2-O 3.14Å; H360-G362 PolarHBondContact NE2-O 3.42Å; H360-S363 PolarHBondContact CE1-OG 2.89Å; H360-S363 PolarHBondContact NE2-OG 2.91Å
361R97.5Very high95.1Very high1 Ų135.9 Ų35.90%0.00420%0.197CC..  trans-97.8-27.7-170.1-66.7-60.8-175.9163.32114.3V58 H59 V60 M134 F138 F140 N144 Q354 L359V58-R361 WeakPolarHBondContact O-CD 3.49Å; V58-R361 PolarHBondContact O-NH1 3.34Å; H59-R361 WeakPolarHBondContact CA-O 2.99Å; H59-R361 PolarHBondContact ND1-O 2.97Å; V60-R361 PolarHBondContact N-O 3.22Å; M134-R361 HydrophobicContact CE-CB 3.95Å; F138-R361 HydrophobicContact CD2-CB 4.36Å; F138-R361 HydrophobicContact CD2-CG 4.05Å; F138-R361 HydrophobicContact CE2-CB 3.71Å; F138-R361 HydrophobicContact CE2-CG 3.9Å; F138-R361 HydrophobicContact CZ-CB 4.26Å; F140-R361 HydrophobicContact CB-CB 4.19Å; F140-R361 HydrophobicContact CB-CG 3.91Å; N144-R361 HydrophobicContact CB-CB 4.02Å; N144-R361 HydrophobicContact CB-CG 3.89Å; N144-R361 PolarHBondContact O-N 3.1Å; Q354-R361 PolarHBondContact O-NH2 3.4Å; Q354-R361 VanDerWaalsContact OE1-NH1 3.11Å; L359-R361 PolarHBondContact O-N 3.23Å
362G98.2Very high95.4Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-157.5155.6176.300000116.4V60 N144 V145 N146 H360V60-G362 CarbonylContact O-C 3.58Å; V60-G362 WeakPolarHBondContact O-CA 2.98Å; N144-G362 PolarHBondContact O-N 2.88Å; V145-G362 CarbonylContact C-O 3.53Å; V145-G362 VanDerWaalsContact CA-O 3.31Å; V145-G362 WeakPolarHBondContact CA-O 3.48Å; N146-G362 PolarHBondContact N-O 3.31Å; H360-G362 PolarHBondContact CD2-O 3.14Å; H360-G362 PolarHBondContact NE2-O 3.42Å
363S98.7Very high95.7Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-137128.2171.7-74.80000109.8V60 N61 V62 N146 Q339 H360V60-S363 PolarHBondContact O-N 2.8Å; N61-S363 CarbonylContact C-O 3.55Å; N61-S363 WeakPolarHBondContact CA-O 3.37Å; V62-S363 PolarHBondContact N-O 3.19Å; N146-S363 CarbonylContact O-C 3.53Å; N146-S363 WeakPolarHBondContact O-CA 3.43Å; Q339-S363 PolarHBondContact OE1-OG 3.42Å; H360-S363 PolarHBondContact CE1-OG 2.89Å; H360-S363 PolarHBondContact NE2-OG 2.91Å
364F98.8Very high96Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-120.9123.9-179.8-61.1-79.6000109.9V62 L64 F130 M134 V145 N146 F147 Y148 F162 F166 F366V62-F364 HydrophobicContact CB-CD1 3.81Å; V62-F364 HydrophobicContact CB-CE1 4.1Å; V62-F364 HydrophobicContact CG2-CD1 3.86Å; V62-F364 HydrophobicContact CG2-CE1 3.61Å; V62-F364 CarbonylContact O-C 3.56Å; V62-F364 WeakPolarHBondContact O-CA 3.41Å; L64-F364 HydrophobicContact CD1-CB 4.31Å; L64-F364 HydrophobicContact CD1-CD1 4.26Å; F130-F364 HydrophobicContact CB-CE1 3.95Å; F130-F364 HydrophobicContact CB-CZ 4.15Å; F130-F364 HydrophobicContact CD1-CE1 4.32Å; F130-F364 HydrophobicContact CD2-CE1 4.43Å; F130-F364 AromaticContact CG-CE1 3.99Å; F130-F364 HydrophobicContact CG-CE1 3.99Å; M134-F364 HydrophobicContact SD-CE2 4.3Å; M134-F364 HydrophobicContact SD-CZ 3.82Å; V145-F364 HydrophobicContact CG1-CD2 3.6Å; V145-F364 HydrophobicContact CG1-CE2 3.45Å; V145-F364 VanDerWaalsContact CG1-CE2 3.45Å; N146-F364 PolarHBondContact O-N 3.27Å; F147-F364 CarbonylContact C-O 3.54Å; F147-F364 WeakPolarHBondContact CA-O 3.41Å; F147-F364 HydrophobicContact CD1-CB 3.91Å; F147-F364 HydrophobicContact CD1-CD2 4.02Å; F147-F364 HydrophobicContact CD1-CG 4.32Å; F147-F364 HydrophobicContact CE1-CB 4.29Å; F147-F364 AromaticContact CE1-CD2 3.62Å; F147-F364 HydrophobicContact CE1-CD2 3.62Å; F147-F364 HydrophobicContact CE1-CE2 4.35Å; F147-F364 HydrophobicContact CE1-CG 4.2Å; F147-F364 HydrophobicContact CZ-CD2 4.17Å; Y148-F364 PolarHBondContact N-O 3.16Å; F162-F364 HydrophobicContact CE1-CB 4.31Å; F162-F364 AromaticContact CE1-CD1 3.56Å; F162-F364 HydrophobicContact CE1-CD1 3.56Å; F162-F364 HydrophobicContact CE1-CD2 4.01Å; F162-F364 AromaticContact CE1-CE1 3.82Å; F162-F364 HydrophobicContact CE1-CE1 3.82Å; F162-F364 HydrophobicContact CE1-CE2 4.21Å; F162-F364 AromaticContact CE1-CG 3.68Å; F162-F364 HydrophobicContact CE1-CG 3.68Å; F162-F364 HydrophobicContact CE1-CZ 4.13Å; F162-F364 HydrophobicContact CE2-CD1 4.23Å; F162-F364 HydrophobicContact CE2-CE1 4.45Å; F162-F364 AromaticContact CZ-CD1 3.32Å; F162-F364 HydrophobicContact CZ-CD1 3.32Å; F162-F364 AromaticContact CZ-CE1 3.38Å; F162-F364 HydrophobicContact CZ-CE1 3.38Å; F162-F364 AromaticContact CZ-CG 3.96Å; F162-F364 HydrophobicContact CZ-CG 3.96Å; F162-F364 HydrophobicContact CZ-CZ 4.04Å; F166-F364 HydrophobicContact CD2-CE2 4.15Å; F166-F364 HydrophobicContact CD2-CZ 4.09Å; F166-F364 HydrophobicContact CE1-CE2 4.43Å; F166-F364 AromaticContact CE2-CE2 3.56Å; F166-F364 HydrophobicContact CE2-CE2 3.56Å; F166-F364 AromaticContact CE2-CZ 3.47Å; F166-F364 HydrophobicContact CE2-CZ 3.47Å; F166-F364 VanDerWaalsContact CE2-CZ 3.47Å; F166-F364 AromaticContact CZ-CE2 3.71Å; F166-F364 HydrophobicContact CZ-CE2 3.71Å; F166-F364 HydrophobicContact CZ-CZ 4.05Å; F364-F366 HydrophobicContact CB-CE2 4.03Å; F364-F366 HydrophobicContact CB-CZ 4.12Å
365W98.8Very high96.4Very high1 Ų121.7 Ų21.70%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-120.3121.3-172.1-49.785.2000111.2N61 V62 L63 L64 Y148 L215 L216 L332 E335 I336 Q339N61-W365 PolarHBondContact OD1-NE1 3.21Å; V62-W365 PolarHBondContact O-N 3.48Å; L63-W365 HydrophobicContact CD1-CB 3.68Å; L64-W365 PolarHBondContact N-O 2.89Å; Y148-W365 HydrophobicContact CD1-CE3 4.3Å; Y148-W365 HydrophobicContact CD1-CH2 4.46Å; Y148-W365 AromaticContact CD1-CZ3 3.9Å; Y148-W365 HydrophobicContact CD1-CZ3 3.9Å; Y148-W365 AromaticContact CD2-CD2 3.57Å; Y148-W365 HydrophobicContact CD2-CD2 3.57Å; Y148-W365 AromaticContact CD2-CE2 3.78Å; Y148-W365 AromaticContact CD2-CE3 3.43Å; Y148-W365 HydrophobicContact CD2-CE3 3.43Å; Y148-W365 VanDerWaalsContact CD2-CE3 3.43Å; Y148-W365 HydrophobicContact CD2-CG 4.33Å; Y148-W365 AromaticContact CD2-CH2 3.73Å; Y148-W365 HydrophobicContact CD2-CH2 3.73Å; Y148-W365 AromaticContact CD2-CZ2 3.89Å; Y148-W365 HydrophobicContact CD2-CZ2 3.89Å; Y148-W365 AromaticContact CD2-CZ3 3.49Å; Y148-W365 HydrophobicContact CD2-CZ3 3.49Å; Y148-W365 VanDerWaalsContact CD2-CZ3 3.49Å; Y148-W365 HydrophobicContact CE1-CH2 4.43Å; Y148-W365 HydrophobicContact CE1-CZ3 4.29Å; Y148-W365 HydrophobicContact CE2-CD2 4.31Å; Y148-W365 HydrophobicContact CE2-CE3 4.23Å; Y148-W365 AromaticContact CE2-CH2 3.66Å; Y148-W365 HydrophobicContact CE2-CH2 3.66Å; Y148-W365 AromaticContact CE2-CZ2 3.77Å; Y148-W365 HydrophobicContact CE2-CZ2 3.77Å; Y148-W365 AromaticContact CE2-CZ3 3.9Å; Y148-W365 HydrophobicContact CE2-CZ3 3.9Å; Y148-W365 HydrophobicContact CG-CD2 4.06Å; Y148-W365 AromaticContact CG-CE3 3.46Å; Y148-W365 HydrophobicContact CG-CE3 3.46Å; Y148-W365 VanDerWaalsContact CG-CE3 3.46Å; Y148-W365 HydrophobicContact CG-CH2 4.13Å; Y148-W365 AromaticContact CG-CZ3 3.48Å; Y148-W365 HydrophobicContact CG-CZ3 3.48Å; Y148-W365 VanDerWaalsContact CG-CZ3 3.48Å; Y148-W365 CarbonylContact O-C 3.57Å; Y148-W365 WeakPolarHBondContact O-CA 3.45Å; L215-W365 HydrophobicContact CD1-CH2 4.26Å; L215-W365 HydrophobicContact CD1-CZ3 3.93Å; L216-W365 HydrophobicContact CD2-CB 3.85Å; L216-W365 HydrophobicContact CD2-CE3 4.36Å; L332-W365 HydrophobicContact CD1-CD2 4.28Å; L332-W365 HydrophobicContact CD1-CE3 4.12Å; L332-W365 HydrophobicContact CD1-CZ3 4.41Å; E335-W365 HydrophobicContact CG-CH2 3.68Å; E335-W365 HydrophobicContact CG-CZ2 4.2Å; I336-W365 HydrophobicContact CG1-CZ2 4.5Å; Q339-W365 VanDerWaalsContact NE2-CZ2 3.28Å
366F98.7Very high97Very high0 Ų015.8 Ų15.80%09%0.091CC..EExtended strand (participates in β ladder)trans-105.7106.1-175.9-58.5-84000111.7L64 H123 F147 Y148 S150 C155 G159 F162 F364L64-F366 HydrophobicContact CB-CD1 3.99Å; L64-F366 HydrophobicContact CB-CE1 4.15Å; L64-F366 HydrophobicContact CD1-CD1 4.28Å; L64-F366 HydrophobicContact CD1-CE1 3.81Å; L64-F366 HydrophobicContact CD1-CZ 4.07Å; L64-F366 HydrophobicContact CD2-CE1 4.29Å; L64-F366 HydrophobicContact CG-CE1 4.3Å; L64-F366 CarbonylContact O-C 3.33Å; L64-F366 WeakPolarHBondContact O-CA 3.26Å; H123-F366 AromaticContact ND1-CE1 3.82Å; F147-F366 HydrophobicContact CD1-CE2 4.33Å; Y148-F366 VanDerWaalsContact O-CD2 3.22Å; Y148-F366 WeakPolarHBondContact O-CD2 3.41Å; Y148-F366 PolarHBondContact O-N 3.28Å; S150-F366 PolarHBondContact N-O 2.97Å; C155-F366 HydrophobicContact CB-CB 4.43Å; G159-F366 VanDerWaalsContact CA-CE2 3.47Å; F162-F366 HydrophobicContact CB-CE1 3.63Å; F162-F366 HydrophobicContact CB-CZ 3.52Å; F162-F366 AromaticContact CD1-CZ 3.76Å; F162-F366 HydrophobicContact CD1-CZ 3.76Å; F162-F366 HydrophobicContact CD2-CE1 4.09Å; F162-F366 HydrophobicContact CD2-CZ 4.12Å; F162-F366 AromaticContact CG-CE1 3.84Å; F162-F366 HydrophobicContact CG-CE1 3.84Å; F162-F366 AromaticContact CG-CZ 3.53Å; F162-F366 HydrophobicContact CG-CZ 3.53Å; F364-F366 HydrophobicContact CB-CE2 4.03Å; F364-F366 HydrophobicContact CB-CZ 4.12Å
367G98.4Very high97.4Very high0 Ų015.4 Ų15.40%09%0.09CC..EExtended strand (participates in β ladder)trans-125.7-145.1-177.100000113.8L64 H66 C155L64-G367 PolarHBondContact O-N 2.98Å; H66-G367 PolarHBondContact N-O 3.15Å; C155-G367 PolarHBondContact SG-O 2.94Å
368H98.4Very high97.8Very high2 Ų211.2 Ų11.21%0.0096%0.063CC..  trans-127173.1-171.9-54-88.8000110.8H66 S150 R154 C155 F219 E370 T371 I372H66-H368 AromaticContact CD2-ND1 3.76Å; S150-H368 PolarHBondContact OG-NE2 2.97Å; R154-H368 PolarHBondContact NH2-CE1 2.68Å; R154-H368 VanDerWaalsContact NH2-CE1 3.33Å; R154-H368 PolarHBondContact NH2-ND1 2.76Å; R154-H368 VanDerWaalsContact NH2-ND1 3.13Å; C155-H368 PolarHBondContact SG-CE1 3.45Å; C155-H368 PolarHBondContact SG-NE2 3.16Å; F219-H368 HydrophobicContact CZ-CB 4.44Å; H368-E370 HydrophobicContact CB-CB 4.21Å; H368-E370 WeakPolarHBondContact CB-OE2 3.48Å; H368-E370 PolarHBondContact O-N 3.48Å; H368-T371 PolarHBondContact N-OG1 3.24Å; H368-T371 WeakPolarHBondContact O-CA 3.43Å; H368-T371 WeakPolarHBondContact O-CB 3.46Å; H368-T371 PolarHBondContact O-N 3Å; H368-I372 PolarHBondContact O-N 3.18Å; H368-I372 VanDerWaalsContact O-N 3.07Å
369A98.4Very high98.1Very high4 Ų46.2 Ų6.23%0.0333%0.033CC..Hα-helixtrans-61.3-33.6169.500000110.6T371 I372 L373 A423A369-T371 PolarHBondContact O-N 3.28Å; A369-I372 PolarHBondContact O-N 3.41Å; A369-L373 HydrophobicContact CB-CD1 4.47Å; A369-L373 WeakPolarHBondContact O-CB 3.19Å; A369-L373 WeakPolarHBondContact O-CG 3.49Å; A369-L373 PolarHBondContact O-N 3.31Å; A369-A423 HydrophobicContact CB-CB 4.13Å
370E98.1Very high98Very high56 Ų566.9 Ų6.926%0.2624%0.04SC..Hα-helixtrans-62.3-16.2170.4-66.177.2-174.300113.8F219 K318 H368 P374F219-E370 HydrophobicContact CD1-CB 3.54Å; F219-E370 HydrophobicContact CD2-CB 4.16Å; F219-E370 HydrophobicContact CD2-CG 4.43Å; F219-E370 HydrophobicContact CE1-CB 3.38Å; F219-E370 HydrophobicContact CE1-CG 4.44Å; F219-E370 HydrophobicContact CE2-CB 4.03Å; F219-E370 HydrophobicContact CE2-CG 4.27Å; F219-E370 HydrophobicContact CG-CB 3.94Å; F219-E370 HydrophobicContact CZ-CB 3.65Å; F219-E370 HydrophobicContact CZ-CG 4.28Å; K318-E370 HydrophobicContact CD-CG 4Å; K318-E370 VanDerWaalsContact NZ-CD 3.26Å; K318-E370 IonicContact NZ-OE1 3.11Å; K318-E370 PolarHBondContact NZ-OE1 3.09Å; H368-E370 HydrophobicContact CB-CB 4.21Å; H368-E370 WeakPolarHBondContact CB-OE2 3.48Å; H368-E370 PolarHBondContact O-N 3.48Å; E370-P374 VanDerWaalsContact O-CD 3.24Å; E370-P374 WeakPolarHBondContact O-CD 3.46Å; E370-P374 VanDerWaalsContact O-CG 3.24Å; E370-P374 WeakPolarHBondContact O-CG 3.28Å
371T98.5Very high97.9Very high0 Ų04.9 Ų4.90%03%0.031CC..Hα-helixtrans-93.6-45173-40.20000110.6L63 L216 F218 L332 H368 A369 I375L63-T371 HydrophobicContact CD1-CG2 3.97Å; L63-T371 HydrophobicContact CD2-CG2 4.09Å; L216-T371 HydrophobicContact CD2-CG2 4.24Å; L216-T371 PolarHBondContact O-OG1 3.31Å; F218-T371 HydrophobicContact CE1-CG2 3.98Å; L332-T371 HydrophobicContact CD2-CG2 3.58Å; H368-T371 PolarHBondContact N-OG1 3.24Å; H368-T371 WeakPolarHBondContact O-CA 3.43Å; H368-T371 WeakPolarHBondContact O-CB 3.46Å; H368-T371 PolarHBondContact O-N 3Å; A369-T371 PolarHBondContact O-N 3.28Å; T371-I375 WeakPolarHBondContact O-CG1 3.36Å
372I98.7Very high97.7Very high0 Ų05 Ų50%03%0.032CC..Hα-helixtrans-67.6-48.8-176.3-63.7-77.3000112.1L63 R65 H368 A369 I375 V376 I422 A423 V429L63-I372 HydrophobicContact CB-CD1 4.21Å; L63-I372 HydrophobicContact CD2-CD1 3.79Å; L63-I372 HydrophobicContact CG-CD1 3.58Å; L63-I372 WeakPolarHBondContact O-CD1 3.17Å; R65-I372 HydrophobicContact CB-CG1 4.13Å; H368-I372 PolarHBondContact O-N 3.18Å; H368-I372 VanDerWaalsContact O-N 3.07Å; A369-I372 PolarHBondContact O-N 3.41Å; I372-I375 PolarHBondContact O-N 3.34Å; I372-V376 HydrophobicContact CG2-CG2 4.11Å; I372-V376 WeakPolarHBondContact O-CG2 3.38Å; I372-V376 PolarHBondContact O-N 3.27Å; I372-I422 HydrophobicContact CG2-CG2 4.17Å; I372-A423 HydrophobicContact CB-CB 4.31Å; I372-A423 HydrophobicContact CG2-CB 4.03Å; I372-V429 HydrophobicContact CD1-CG2 4.01Å; I372-V429 HydrophobicContact CG2-CG2 4Å
373L98.7Very high97.5Very high1 Ų16.7 Ų6.71%0.0054%0.041CC..Hα-helixtrans-60.2-46.5-173.7-71.4163.8000112.6H314 K318 A369 I375 V376 A377 F417 T419 I422 A423H314-L373 HydrophobicContact CB-CD1 4.16Å; K318-L373 HydrophobicContact CB-CB 4.18Å; K318-L373 HydrophobicContact CB-CD1 4.14Å; K318-L373 HydrophobicContact CD-CD1 4.14Å; K318-L373 CarbonylContact O-C 3.49Å; A369-L373 HydrophobicContact CB-CD1 4.47Å; A369-L373 WeakPolarHBondContact O-CB 3.19Å; A369-L373 WeakPolarHBondContact O-CG 3.49Å; A369-L373 PolarHBondContact O-N 3.31Å; L373-I375 PolarHBondContact O-N 3.26Å; L373-V376 PolarHBondContact O-N 2.92Å; L373-A377 WeakPolarHBondContact O-CB 3.45Å; L373-A377 PolarHBondContact O-N 3.42Å; L373-F417 HydrophobicContact CD2-CE2 4.16Å; L373-F417 HydrophobicContact CD2-CZ 3.98Å; L373-T419 HydrophobicContact CD1-CG2 4.18Å; L373-T419 HydrophobicContact CD2-CG2 4.21Å; L373-I422 HydrophobicContact CD2-CB 4.06Å; L373-I422 HydrophobicContact CD2-CD1 4.44Å; L373-I422 HydrophobicContact CD2-CG2 3.62Å; L373-A423 HydrophobicContact CD2-CB 4.31Å; L373-A423 HydrophobicContact CG-CB 4.15Å
374P98.4Very high97.1Very high2 Ų27.2 Ų7.21%0.0134%0.043CC..Hα-helixtrans-58.4-43.7172.8-33.341.6000114.1F218 K318 N325 Y326 E370 A377 A378F218-P374 HydrophobicContact CE2-CB 4.01Å; F218-P374 HydrophobicContact CE2-CG 3.9Å; F218-P374 HydrophobicContact CZ-CB 3.77Å; F218-P374 HydrophobicContact CZ-CG 3.87Å; K318-P374 VanDerWaalsContact O-CD 3.28Å; K318-P374 WeakPolarHBondContact O-CD 3.43Å; K318-P374 WeakPolarHBondContact O-CG 3.33Å; N325-P374 WeakPolarHBondContact O-CB 3.49Å; Y326-P374 VanDerWaalsContact CB-O 3.25Å; Y326-P374 WeakPolarHBondContact CB-O 3.29Å; E370-P374 VanDerWaalsContact O-CD 3.24Å; E370-P374 WeakPolarHBondContact O-CD 3.46Å; E370-P374 VanDerWaalsContact O-CG 3.24Å; E370-P374 WeakPolarHBondContact O-CG 3.28Å; P374-A377 PolarHBondContact O-N 2.93Å; P374-A378 WeakPolarHBondContact O-CB 3.33Å; P374-A378 PolarHBondContact O-N 2.88Å
375I98.4Very high96.7Very high0 Ų08 Ų80%05%0.049CC..Hα-helixtrans-64.3-46-179.4-69.4-71.7000110.6L63 L332 L333 T371 I372 L373 A377 A378 L379 F431L63-I375 HydrophobicContact CD2-CB 4.16Å; L63-I375 HydrophobicContact CD2-CG1 3.83Å; L63-I375 HydrophobicContact CD2-CG2 4.33Å; L332-I375 HydrophobicContact CB-CD1 4.3Å; L332-I375 HydrophobicContact CD2-CD1 4.09Å; L332-I375 HydrophobicContact CD2-CG1 4.12Å; L332-I375 HydrophobicContact CG-CD1 4.14Å; L333-I375 HydrophobicContact CB-CD1 3.84Å; T371-I375 WeakPolarHBondContact O-CG1 3.36Å; I372-I375 PolarHBondContact O-N 3.34Å; L373-I375 PolarHBondContact O-N 3.26Å; I375-A377 VanDerWaalsContact C-N 3.28Å; I375-A377 PolarHBondContact O-N 3.27Å; I375-A378 PolarHBondContact O-N 2.9Å; I375-L379 HydrophobicContact CG2-CD1 4.17Å; I375-L379 VanDerWaalsContact O-CG 3.27Å; I375-L379 WeakPolarHBondContact O-CG 3.18Å; I375-L379 PolarHBondContact O-N 2.95Å; I375-F431 HydrophobicContact CG2-CZ 4.41Å
376V98.3Very high96.3Very high2 Ų28.7 Ų8.71%0.0125%0.053CC..Hα-helixtrans-61.5-38.6177.5171.40000111.5I372 L373 L379 G380 I381 F382 I422 V429 I454I372-V376 HydrophobicContact CG2-CG2 4.11Å; I372-V376 WeakPolarHBondContact O-CG2 3.38Å; I372-V376 PolarHBondContact O-N 3.27Å; L373-V376 PolarHBondContact O-N 2.92Å; V376-L379 PolarHBondContact O-N 3.43Å; V376-G380 PolarHBondContact O-N 3.43Å; V376-I381 HydrophobicContact CG1-CB 4.1Å; V376-I381 HydrophobicContact CG1-CG2 4.49Å; V376-I381 PolarHBondContact O-N 3.2Å; V376-F382 HydrophobicContact CG1-CD2 3.71Å; V376-F382 HydrophobicContact CG1-CE2 4.26Å; V376-I422 HydrophobicContact CB-CG2 3.96Å; V376-I422 HydrophobicContact CG1-CG1 4.47Å; V376-I422 HydrophobicContact CG1-CG2 3.84Å; V376-I422 HydrophobicContact CG2-CG2 3.87Å; V376-V429 HydrophobicContact CG2-CG2 3.57Å; V376-I454 HydrophobicContact CG2-CD1 3.85Å
377A97.4Very high95.7Very high4 Ų410.1 Ų10.13%0.0337%0.068CC..Hα-helixtrans-68.6-41.1175.100000113.1Y320 Y326 L373 P374 I375 L379 G380Y320-A377 HydrophobicContact CD1-CB 4.16Å; Y320-A377 HydrophobicContact CD2-CB 4.38Å; Y320-A377 HydrophobicContact CE1-CB 3.91Å; Y320-A377 VanDerWaalsContact CE1-O 3.32Å; Y320-A377 WeakPolarHBondContact CE1-O 3.26Å; Y320-A377 HydrophobicContact CE2-CB 4.15Å; Y320-A377 HydrophobicContact CG-CB 4.38Å; Y320-A377 WeakPolarHBondContact OH-CA 3.47Å; Y320-A377 PolarHBondContact OH-O 3.15Å; Y326-A377 HydrophobicContact CD1-CB 3.99Å; Y326-A377 HydrophobicContact CG-CB 4.12Å; L373-A377 WeakPolarHBondContact O-CB 3.45Å; L373-A377 PolarHBondContact O-N 3.42Å; P374-A377 PolarHBondContact O-N 2.93Å; I375-A377 VanDerWaalsContact C-N 3.28Å; I375-A377 PolarHBondContact O-N 3.27Å; A377-L379 PolarHBondContact O-N 3.45Å; A377-G380 PolarHBondContact O-N 3.05Å
378A96.9Very high95Very high13 Ų1313.9 Ų13.911%0.1079%0.085CC..Hα-helixtrans-61.9-32.917500000112Y326 L333 P374 I375 G380 F489Y326-A378 HydrophobicContact CD2-CB 4.36Å; L333-A378 HydrophobicContact CD2-CB 3.95Å; P374-A378 WeakPolarHBondContact O-CB 3.33Å; P374-A378 PolarHBondContact O-N 2.88Å; I375-A378 PolarHBondContact O-N 2.9Å; A378-G380 PolarHBondContact O-N 3.48Å; A378-F489 WeakPolarHBondContact O-CE1 3.28Å
379L96.5Very high94.1Very high1 Ų119.9 Ų19.91%0.00513%0.127CC..THydrogen-bonded Turntrans-73.2-10.5173.4-65169.8000113.7L333 I375 V376 A377 I381 V429 F431 V452 W461 F489L333-L379 HydrophobicContact CD1-CD2 4.11Å; I375-L379 HydrophobicContact CG2-CD1 4.17Å; I375-L379 VanDerWaalsContact O-CG 3.27Å; I375-L379 WeakPolarHBondContact O-CG 3.18Å; I375-L379 PolarHBondContact O-N 2.95Å; V376-L379 PolarHBondContact O-N 3.43Å; A377-L379 PolarHBondContact O-N 3.45Å; L379-I381 VanDerWaalsContact C-N 3.29Å; L379-I381 HydrophobicContact CB-CD1 3.69Å; L379-I381 HydrophobicContact CB-CG1 3.86Å; L379-I381 HydrophobicContact CD1-CD1 3.8Å; L379-I381 HydrophobicContact CG-CD1 4.4Å; L379-I381 PolarHBondContact O-N 3.35Å; L379-V429 HydrophobicContact CD1-CG1 4.25Å; L379-F431 HydrophobicContact CD1-CE1 3.98Å; L379-F431 HydrophobicContact CD1-CZ 3.79Å; L379-F431 HydrophobicContact CD2-CE1 3.85Å; L379-F431 HydrophobicContact CD2-CZ 4.2Å; L379-V452 HydrophobicContact CD1-CG1 4.39Å; L379-W461 HydrophobicContact CD2-CZ2 3.82Å; L379-W461 PolarHBondContact O-NE1 3Å; L379-F489 HydrophobicContact CD2-CE2 4.14Å; L379-F489 HydrophobicContact CD2-CZ 3.79Å
380G94.5Very high93.3Very high16 Ų1624.2 Ų24.217%0.16515%0.154CC..THydrogen-bonded Turntrans75.212.6-176.300000114.5Y320 V376 A377 A378 P462Y320-G380 VanDerWaalsContact OH-CA 3.24Å; Y320-G380 WeakPolarHBondContact OH-CA 3.27Å; Y320-G380 PolarHBondContact OH-O 3.01Å; V376-G380 PolarHBondContact O-N 3.43Å; A377-G380 PolarHBondContact O-N 3.05Å; A378-G380 PolarHBondContact O-N 3.48Å; G380-P462 WeakPolarHBondContact O-CG 3.26Å
381I95.2Very high92.5Very high0 Ų027.6 Ų27.60%017%0.173CC..THydrogen-bonded Turntrans-85.1143.2-177.1-55.7166.4000110.4Y320 V376 L379 N383 V452 I459 W461Y320-I381 PolarHBondContact OH-N 3.24Å; Y320-I381 PolarHBondContact OH-O 2.84Å; V376-I381 HydrophobicContact CG1-CB 4.1Å; V376-I381 HydrophobicContact CG1-CG2 4.49Å; V376-I381 PolarHBondContact O-N 3.2Å; L379-I381 VanDerWaalsContact C-N 3.29Å; L379-I381 HydrophobicContact CB-CD1 3.69Å; L379-I381 HydrophobicContact CB-CG1 3.86Å; L379-I381 HydrophobicContact CD1-CD1 3.8Å; L379-I381 HydrophobicContact CG-CD1 4.4Å; L379-I381 PolarHBondContact O-N 3.35Å; I381-N383 VanDerWaalsContact C-N 3.27Å; I381-N383 PolarHBondContact O-N 3.27Å; I381-V452 HydrophobicContact CD1-CB 4.48Å; I381-V452 HydrophobicContact CD1-CG1 3.81Å; I381-I459 HydrophobicContact CD1-CD1 3.65Å; I381-I459 HydrophobicContact CD1-CG1 4.16Å; I381-I459 HydrophobicContact CG1-CD1 3.97Å; I381-I459 HydrophobicContact CG2-CB 4.28Å; I381-I459 HydrophobicContact CG2-CD1 4.1Å; I381-I459 HydrophobicContact CG2-CG1 4.14Å; I381-W461 HydrophobicContact CG1-CG 4.39Å
382F94.4Very high91.9Very high3 Ų329 Ų291%0.01318%0.179CC..THydrogen-bonded Turntrans56.838.5-173.7-50.4-69000113.6L41 Y320 V376 T415 M416 F417 I422 I454 I459L41-F382 HydrophobicContact CD1-CE1 3.92Å; L41-F382 HydrophobicContact CD1-CZ 3.94Å; L41-F382 HydrophobicContact CD2-CZ 4.12Å; Y320-F382 WeakPolarHBondContact CE2-O 3.41Å; V376-F382 HydrophobicContact CG1-CD2 3.71Å; V376-F382 HydrophobicContact CG1-CE2 4.26Å; F382-T415 CarbonylContact C-O 3.53Å; F382-T415 VanDerWaalsContact CA-O 3.22Å; F382-T415 WeakPolarHBondContact CA-O 3.32Å; F382-M416 WeakPolarHBondContact CD1-O 3.31Å; F382-F417 WeakPolarHBondContact O-CB 3.21Å; F382-I422 HydrophobicContact CB-CD1 3.97Å; F382-I422 HydrophobicContact CB-CG1 4.48Å; F382-I422 HydrophobicContact CD2-CD1 3.76Å; F382-I422 HydrophobicContact CD2-CG1 3.39Å; F382-I422 HydrophobicContact CE2-CG1 3.7Å; F382-I422 HydrophobicContact CG-CD1 4.07Å; F382-I422 HydrophobicContact CG-CG1 4.03Å; F382-I454 HydrophobicContact CE2-CB 4.33Å; F382-I454 HydrophobicContact CE2-CG1 3.97Å; F382-I454 HydrophobicContact CE2-CG2 4.05Å; F382-I454 HydrophobicContact CZ-CB 4.43Å; F382-I454 HydrophobicContact CZ-CG1 4.36Å; F382-I454 HydrophobicContact CZ-CG2 4.32Å; F382-I459 HydrophobicContact CZ-CG2 4.04Å
383N92.7Very high91.6Very high36 Ų3631.8 Ų31.819%0.19319%0.192CC..  trans-90110.1171.3-176.1-9.6000110Y320 I381 S385 V386 T415Y320-N383 HydrophobicContact CE1-CB 4.03Å; Y320-N383 HydrophobicContact CE2-CB 4.08Å; I381-N383 VanDerWaalsContact C-N 3.27Å; I381-N383 PolarHBondContact O-N 3.27Å; N383-S385 PolarHBondContact O-N 3.13Å; N383-S385 VanDerWaalsContact OD1-CB 3.3Å; N383-S385 WeakPolarHBondContact OD1-CB 3.48Å; N383-S385 PolarHBondContact OD1-N 2.63Å; N383-S385 PolarHBondContact OD1-OG 3.18Å; N383-V386 HydrophobicContact CB-CG2 4.06Å; N383-V386 WeakPolarHBondContact O-CB 3.27Å; N383-V386 VanDerWaalsContact O-CG2 3.31Å; N383-V386 WeakPolarHBondContact O-CG2 3.49Å; N383-V386 PolarHBondContact O-N 3.09Å; N383-T415 CarbonylContact C-O 2.97Å; N383-T415 VanDerWaalsContact C-O 3.29Å; N383-T415 PolarHBondContact N-O 3.17Å
384N90.4Very high91.4Very high11 Ų1131.9 Ų31.96%0.05919%0.192CC..THydrogen-bonded Turntrans-55.8-16.8177.2-73.866.3000114.5V386 H388 H392 L394 T415 F417N384-V386 VanDerWaalsContact C-N 3.32Å; N384-H388 PolarHBondContact O-CD2 3.41Å; N384-H392 HydrophobicContact CB-CB 4.33Å; N384-H392 WeakPolarHBondContact CB-O 3.42Å; N384-L394 WeakPolarHBondContact OD1-CD1 3.16Å; N384-T415 PolarHBondContact N-O 3.24Å; N384-F417 VanDerWaalsContact OD1-CB 3.29Å; N384-F417 WeakPolarHBondContact OD1-CB 3.12Å; N384-F417 PolarHBondContact OD1-N 3.43Å
385S90.2Very high91.3Very high17 Ų1733.6 Ų33.612%0.11920%0.202CC..THydrogen-bonded Turntrans-80-12.4179.1-49.90000113.7N383 G387 H388 L391 H392N383-S385 PolarHBondContact O-N 3.13Å; N383-S385 VanDerWaalsContact OD1-CB 3.3Å; N383-S385 WeakPolarHBondContact OD1-CB 3.48Å; N383-S385 PolarHBondContact OD1-N 2.63Å; N383-S385 PolarHBondContact OD1-OG 3.18Å; S385-G387 PolarHBondContact O-N 2.71Å; S385-H388 PolarHBondContact O-N 2.65Å; S385-L391 WeakPolarHBondContact OG-CD1 3.22Å; S385-H392 PolarHBondContact OG-N 2.87Å; S385-H392 PolarHBondContact OG-O 3.12Å
386V89.9Confident91.3Very high14 Ų1433.9 Ų33.99%0.08521%0.205CC..THydrogen-bonded Turntrans-61.9125.2-178.7171.40000110N383 N384 H388 T415 P462 P470 P475N383-V386 HydrophobicContact CB-CG2 4.06Å; N383-V386 WeakPolarHBondContact O-CB 3.27Å; N383-V386 VanDerWaalsContact O-CG2 3.31Å; N383-V386 WeakPolarHBondContact O-CG2 3.49Å; N383-V386 PolarHBondContact O-N 3.09Å; N384-V386 VanDerWaalsContact C-N 3.32Å; V386-H388 VanDerWaalsContact C-N 3.29Å; V386-H388 PolarHBondContact O-CD2 3.3Å; V386-T415 HydrophobicContact CB-CG2 3.68Å; V386-T415 HydrophobicContact CG1-CG2 3.66Å; V386-T415 HydrophobicContact CG2-CG2 4.26Å; V386-P462 HydrophobicContact CG1-CG 4.36Å; V386-P462 HydrophobicContact CG2-CB 3.98Å; V386-P462 HydrophobicContact CG2-CG 3.55Å; V386-P470 HydrophobicContact CG1-CB 4.09Å; V386-P475 HydrophobicContact CG1-CB 3.85Å
387G86.3Confident91.2Very high30 Ų3040.5 Ų40.531%0.30924%0.24SC..THydrogen-bonded Turntrans80.11.6-176.700000115.7S385 P470S385-G387 PolarHBondContact O-N 2.71Å; G387-P470 WeakPolarHBondContact CA-O 3.48Å; G387-P470 PolarHBondContact N-O 2.72Å
388H85.3Confident91Very high79 Ų7941.4 Ų41.437%0.36625%0.245SC..  trans-107.6143.4177.3-65.5-86.2000111.6N384 S385 V386 T390N384-H388 PolarHBondContact O-CD2 3.41Å; S385-H388 PolarHBondContact O-N 2.65Å; V386-H388 VanDerWaalsContact C-N 3.29Å; V386-H388 PolarHBondContact O-CD2 3.3Å; H388-T390 VanDerWaalsContact C-N 3.28Å; H388-T390 PolarHBondContact O-N 3.26Å
389S79.3Confident90.9Very high128 Ų12840.9 Ų40.990%0.89524%0.24SC*.SBendtrans-73.5-20.6178.455.90000113.4
390T80.9Confident90.7Very high96 Ų9645.2 Ų45.259%0.58926%0.263SS*.SBendtrans-115.6150.7177.657.10000110.6H388 H392H388-T390 VanDerWaalsContact C-N 3.28Å; H388-T390 PolarHBondContact O-N 3.26Å; T390-H392 PolarHBondContact O-N 2.72Å; T390-H392 VanDerWaalsContact O-N 3.11Å
391L81Confident90.5Very high127 Ų12748.4 Ų48.467%0.66527%0.274SS*.  trans-63.4113.2175.3-174.472000109.6S385 K393S385-L391 WeakPolarHBondContact OG-CD1 3.22Å; L391-K393 HydrophobicContact CD2-CD 4.32Å; L391-K393 VanDerWaalsContact CD2-CE 3.43Å; L391-K393 HydrophobicContact CD2-CG 4.24Å; L391-K393 HydrophobicContact CG-CG 4.16Å
392H86.1Confident90.2Very high28 Ų2848.9 Ų48.913%0.1328%0.275CS..  trans-100.299.1-177.6-156.9101.9000109.8N384 S385 T390 N398 E401N384-H392 HydrophobicContact CB-CB 4.33Å; N384-H392 WeakPolarHBondContact CB-O 3.42Å; S385-H392 PolarHBondContact OG-N 2.87Å; S385-H392 PolarHBondContact OG-O 3.12Å; T390-H392 PolarHBondContact O-N 2.72Å; T390-H392 VanDerWaalsContact O-N 3.11Å; H392-N398 PolarHBondContact NE2-ND2 3.12Å; H392-N398 VanDerWaalsContact NE2-ND2 3.14Å; H392-E401 VanDerWaalsContact CE1-CD 3.42Å; H392-E401 IonicContact CE1-OE1 3.71Å; H392-E401 PolarHBondContact CE1-OE1 2.98Å; H392-E401 IonicContact CE1-OE2 3.75Å; H392-E401 PolarHBondContact CE1-OE2 2.79Å; H392-E401 IonicContact NE2-OE1 2.78Å; H392-E401 IonicContact NE2-OE2 3.72Å; H392-E401 PolarHBondContact NE2-OE2 3.17Å
393K92.7Very high89.9Confident60 Ų6050.1 Ų50.126%0.26128%0.282SS..  trans-97.3153.8176.9-64.8-164.8173.9-170.40111.6Y315 W316 G321 L391 T395 N398Y315-K393 HydrophobicContact CE1-CB 4.11Å; Y315-K393 HydrophobicContact CE1-CG 4.43Å; Y315-K393 WeakPolarHBondContact OH-CA 3.45Å; W316-K393 HydrophobicContact CH2-CD 3.76Å; W316-K393 HydrophobicContact CZ2-CB 4.38Å; W316-K393 HydrophobicContact CZ2-CD 4.19Å; W316-K393 HydrophobicContact CZ3-CD 4.46Å; G321-K393 PolarHBondContact O-NZ 3.39Å; L391-K393 HydrophobicContact CD2-CD 4.32Å; L391-K393 VanDerWaalsContact CD2-CE 3.43Å; L391-K393 HydrophobicContact CD2-CG 4.24Å; L391-K393 HydrophobicContact CG-CG 4.16Å; K393-T395 HydrophobicContact CB-CG2 4.46Å; K393-T395 PolarHBondContact O-N 3.32Å; K393-N398 PolarHBondContact O-ND2 3.17Å
394L94.8Very high89.7Confident2 Ų254.6 Ų54.61%0.0130%0.3CS..  trans-71.4122.2167.9-88.763.9000109.2Y308 D311 L312 Y315 W316 N384 F417Y308-L394 HydrophobicContact CE2-CD2 4.16Å; Y308-L394 HydrophobicContact CE2-CG 4.16Å; D311-L394 HydrophobicContact CB-CD2 4.42Å; L312-L394 HydrophobicContact CD2-CB 3.97Å; Y315-L394 HydrophobicContact CD1-CB 4.03Å; Y315-L394 HydrophobicContact CD2-CB 4.08Å; Y315-L394 HydrophobicContact CD2-CD1 3.95Å; Y315-L394 HydrophobicContact CD2-CD2 4.01Å; Y315-L394 HydrophobicContact CD2-CG 4.23Å; Y315-L394 HydrophobicContact CE1-CB 4.29Å; Y315-L394 HydrophobicContact CE2-CB 4.31Å; Y315-L394 HydrophobicContact CE2-CD1 3.81Å; Y315-L394 HydrophobicContact CE2-CG 4.48Å; Y315-L394 HydrophobicContact CG-CB 3.93Å; Y315-L394 HydrophobicContact CG-CD2 4.23Å; Y315-L394 HydrophobicContact CG-CG 4.49Å; W316-L394 PolarHBondContact NE1-O 3.4Å; N384-L394 WeakPolarHBondContact OD1-CD1 3.16Å; L394-F417 HydrophobicContact CD1-CB 4.15Å; L394-F417 HydrophobicContact CD2-CB 4.47Å; L394-F417 HydrophobicContact CD2-CD1 3.7Å; L394-F417 HydrophobicContact CD2-CE1 4.47Å; L394-F417 HydrophobicContact CD2-CG 4.47Å
395T96.9Very high89.3Confident38 Ų3856 Ų5623%0.23331%0.307CS..  trans-133.2167.9-17864.60000110.6E238 Y308 K393 D397 N398E238-T395 WeakPolarHBondContact OE2-CA 3.36Å; E238-T395 WeakPolarHBondContact OE2-CB 3.39Å; Y308-T395 VanDerWaalsContact CE1-O 3.31Å; Y308-T395 WeakPolarHBondContact CE1-O 3.27Å; Y308-T395 PolarHBondContact OH-N 3.38Å; Y308-T395 PolarHBondContact OH-O 3.3Å; K393-T395 HydrophobicContact CB-CG2 4.46Å; K393-T395 PolarHBondContact O-N 3.32Å; T395-D397 PolarHBondContact O-N 2.94Å; T395-N398 WeakPolarHBondContact CA-OD1 3.44Å; T395-N398 PolarHBondContact N-OD1 3.07Å; T395-N398 PolarHBondContact O-OD1 3.03Å; T395-N398 VanDerWaalsContact OG1-CG 3.32Å; T395-N398 PolarHBondContact OG1-N 3.07Å; T395-N398 PolarHBondContact OG1-OD1 3.03Å
396A97.6Very high88.9Confident7 Ų756.5 Ų56.56%0.05831%0.308CS..SBendtrans-62-30.8174.500000112.5E238 K241 F242E238-A396 PolarHBondContact OE2-N 3.02Å; K241-A396 HydrophobicContact CB-CB 3.63Å; F242-A396 HydrophobicContact CB-CB 3.83Å; F242-A396 HydrophobicContact CD2-CB 4.39Å
397D95.5Very high88.6Confident140 Ų14062 Ų6275%0.74933%0.328SS*.THydrogen-bonded Turntrans-87.6-20-167.6-60.4-27000113.7T395T395-D397 PolarHBondContact O-N 2.94Å
398N92.9Very high87.9Confident24 Ų2465.8 Ų65.813%0.12834%0.341CS..THydrogen-bonded Turntrans-95.825.1178.565.5-17.1000114.1Y308 H392 K393 T395 E401 R402Y308-N398 PolarHBondContact OH-OD1 2.86Å; H392-N398 PolarHBondContact NE2-ND2 3.12Å; H392-N398 VanDerWaalsContact NE2-ND2 3.14Å; K393-N398 PolarHBondContact O-ND2 3.17Å; T395-N398 WeakPolarHBondContact CA-OD1 3.44Å; T395-N398 PolarHBondContact N-OD1 3.07Å; T395-N398 PolarHBondContact O-OD1 3.03Å; T395-N398 VanDerWaalsContact OG1-CG 3.32Å; T395-N398 PolarHBondContact OG1-N 3.07Å; T395-N398 PolarHBondContact OG1-OD1 3.03Å; N398-E401 HydrophobicContact CB-CB 4.44Å; N398-E401 PolarHBondContact O-N 2.83Å; N398-R402 WeakPolarHBondContact O-CB 3.32Å; N398-R402 PolarHBondContact O-N 3.36Å
399F95.5Very high86.8Confident1 Ų164.9 Ų64.90%0.00434%0.341CS..Hα-helixtrans-65.8-35.8176.6179.9-121.3000113.3F242 Y247 P304 V305 Y308 R402 L403F242-F399 HydrophobicContact CD2-CB 4.43Å; F242-F399 HydrophobicContact CE2-CB 3.62Å; F242-F399 AromaticContact CE2-CD1 3.8Å; F242-F399 HydrophobicContact CE2-CD1 3.8Å; F242-F399 HydrophobicContact CE2-CD2 4.16Å; F242-F399 AromaticContact CE2-CG 3.58Å; F242-F399 HydrophobicContact CE2-CG 3.58Å; F242-F399 HydrophobicContact CZ-CB 4.31Å; F242-F399 AromaticContact CZ-CD1 3.85Å; F242-F399 HydrophobicContact CZ-CD1 3.85Å; F242-F399 AromaticContact CZ-CD2 4Å; F242-F399 HydrophobicContact CZ-CD2 4Å; F242-F399 HydrophobicContact CZ-CE1 4.12Å; F242-F399 HydrophobicContact CZ-CE2 4.26Å; F242-F399 AromaticContact CZ-CG 3.77Å; F242-F399 HydrophobicContact CZ-CG 3.77Å; F242-F399 HydrophobicContact CZ-CZ 4.31Å; Y247-F399 AromaticContact CD1-CD1 3.56Å; Y247-F399 HydrophobicContact CD1-CD1 3.56Å; Y247-F399 AromaticContact CD1-CE1 3.63Å; Y247-F399 HydrophobicContact CD1-CE1 3.63Å; Y247-F399 AromaticContact CD2-CD1 3.79Å; Y247-F399 HydrophobicContact CD2-CD1 3.79Å; Y247-F399 HydrophobicContact CD2-CE1 4.46Å; Y247-F399 AromaticContact CE1-CD1 3.66Å; Y247-F399 HydrophobicContact CE1-CD1 3.66Å; Y247-F399 HydrophobicContact CE1-CE1 4.07Å; Y247-F399 HydrophobicContact CE2-CB 4.35Å; Y247-F399 AromaticContact CE2-CD1 3.9Å; Y247-F399 HydrophobicContact CE2-CD1 3.9Å; Y247-F399 AromaticContact CG-CD1 3.64Å; Y247-F399 HydrophobicContact CG-CD1 3.64Å; Y247-F399 AromaticContact CG-CE1 3.86Å; Y247-F399 HydrophobicContact CG-CE1 3.86Å; Y247-F399 AromaticContact CZ-CD1 3.84Å; P304-F399 HydrophobicContact CB-CZ 4.43Å; V305-F399 HydrophobicContact CB-CZ 4.28Å; V305-F399 HydrophobicContact CG2-CE1 3.77Å; V305-F399 HydrophobicContact CG2-CZ 3.64Å; Y308-F399 HydrophobicContact CD1-CB 4.01Å; Y308-F399 AromaticContact CD1-CD2 3.33Å; Y308-F399 HydrophobicContact CD1-CD2 3.33Å; Y308-F399 HydrophobicContact CD1-CE2 4.09Å; Y308-F399 AromaticContact CD1-CG 3.93Å; Y308-F399 HydrophobicContact CD1-CG 3.93Å; Y308-F399 HydrophobicContact CD2-CD2 4.1Å; Y308-F399 HydrophobicContact CE1-CB 3.8Å; Y308-F399 AromaticContact CE1-CD2 3.9Å; Y308-F399 HydrophobicContact CE1-CD2 3.9Å; Y308-F399 HydrophobicContact CE1-CG 4.24Å; Y308-F399 AromaticContact CG-CD2 3.43Å; Y308-F399 HydrophobicContact CG-CD2 3.43Å; Y308-F399 VanDerWaalsContact CG-CD2 3.43Å; Y308-F399 AromaticContact CG-CE2 3.85Å; Y308-F399 HydrophobicContact CG-CE2 3.85Å; Y308-F399 HydrophobicContact CG-CG 4.45Å; F399-R402 HydrophobicContact CD2-CB 4.46Å; F399-R402 HydrophobicContact CD2-CG 4.46Å; F399-R402 CarbonylContact O-C 3.53Å; F399-R402 WeakPolarHBondContact O-CA 3.36Å; F399-R402 VanDerWaalsContact O-CB 3.29Å; F399-R402 WeakPolarHBondContact O-CB 3.41Å; F399-R402 PolarHBondContact O-N 2.75Å; F399-L403 HydrophobicContact CD1-CD1 4.13Å; F399-L403 HydrophobicContact CD1-CG 4.33Å; F399-L403 HydrophobicContact CD2-CG 4.34Å; F399-L403 HydrophobicContact CE1-CD1 3.58Å; F399-L403 HydrophobicContact CE1-CD2 4.23Å; F399-L403 HydrophobicContact CE1-CG 3.88Å; F399-L403 HydrophobicContact CE2-CD1 4.49Å; F399-L403 HydrophobicContact CE2-CD2 3.79Å; F399-L403 HydrophobicContact CE2-CG 3.89Å; F399-L403 HydrophobicContact CZ-CD1 3.79Å; F399-L403 HydrophobicContact CZ-CD2 3.54Å; F399-L403 HydrophobicContact CZ-CG 3.65Å; F399-L403 WeakPolarHBondContact O-CG 3.47Å; F399-L403 PolarHBondContact O-N 3.39Å
400D93.4Very high86Confident93 Ų9365.2 Ų65.250%0.49733%0.333SS..Hα-helixtrans-66-40.7177.3-72.1-23.5000111.9Y247 R402 L403 K404Y247-D400 WeakPolarHBondContact CE1-OD1 3.44Å; Y247-D400 PolarHBondContact OH-OD1 3.29Å; Y247-D400 PolarHBondContact OH-OD2 3.1Å; D400-R402 VanDerWaalsContact C-N 3.27Å; D400-R402 PolarHBondContact O-N 2.89Å; D400-L403 PolarHBondContact O-N 2.94Å; D400-K404 PolarHBondContact O-N 3Å
401E89Confident85.2Confident82 Ų8265.4 Ų65.438%0.38333%0.334SS..Hα-helixtrans-60-42.4171.9179.9178.9-174.400110.7H392 N398 K404 M405H392-E401 VanDerWaalsContact CE1-CD 3.42Å; H392-E401 IonicContact CE1-OE1 3.71Å; H392-E401 PolarHBondContact CE1-OE1 2.98Å; H392-E401 IonicContact CE1-OE2 3.75Å; H392-E401 PolarHBondContact CE1-OE2 2.79Å; H392-E401 IonicContact NE2-OE1 2.78Å; H392-E401 IonicContact NE2-OE2 3.72Å; H392-E401 PolarHBondContact NE2-OE2 3.17Å; N398-E401 HydrophobicContact CB-CB 4.44Å; N398-E401 PolarHBondContact O-N 2.83Å; E401-K404 WeakPolarHBondContact O-CB 3.17Å; E401-K404 PolarHBondContact O-N 3.4Å; E401-M405 WeakPolarHBondContact O-CG 3.39Å; E401-M405 PolarHBondContact O-N 2.82Å
402R88.9Confident84.6Confident10 Ų1060.2 Ų60.24%0.03831%0.307CS..Hα-helixtrans-60.1-45.8174.517358.5165.7-138.4-17.7112.3Y308 D311 N398 F399 D400 K404 M405 I406 M416 F417 R418Y308-R402 HydrophobicContact CD2-CB 4.44Å; Y308-R402 HydrophobicContact CD2-CG 3.72Å; Y308-R402 HydrophobicContact CE2-CB 4.09Å; Y308-R402 HydrophobicContact CE2-CG 3.75Å; D311-R402 IonicContact OD2-NH2 3.34Å; D311-R402 PolarHBondContact OD2-NH2 3.34Å; D311-R402 VanDerWaalsContact OD2-NH2 3.11Å; N398-R402 WeakPolarHBondContact O-CB 3.32Å; N398-R402 PolarHBondContact O-N 3.36Å; F399-R402 HydrophobicContact CD2-CB 4.46Å; F399-R402 HydrophobicContact CD2-CG 4.46Å; F399-R402 CarbonylContact O-C 3.53Å; F399-R402 WeakPolarHBondContact O-CA 3.36Å; F399-R402 VanDerWaalsContact O-CB 3.29Å; F399-R402 WeakPolarHBondContact O-CB 3.41Å; F399-R402 PolarHBondContact O-N 2.75Å; D400-R402 VanDerWaalsContact C-N 3.27Å; D400-R402 PolarHBondContact O-N 2.89Å; R402-K404 VanDerWaalsContact C-N 3.31Å; R402-K404 PolarHBondContact O-N 3.44Å; R402-M405 PolarHBondContact O-N 3.45Å; R402-I406 HydrophobicContact CG-CD1 4.34Å; R402-I406 WeakPolarHBondContact O-CG1 3.39Å; R402-I406 PolarHBondContact O-N 2.91Å; R402-M416 VanDerWaalsContact CZ-CE 3.44Å; R402-M416 VanDerWaalsContact NE-CE 3.27Å; R402-M416 VanDerWaalsContact NH1-CE 3.31Å; R402-F417 PolarHBondContact NH1-O 2.88Å; R402-F417 PolarHBondContact NH2-O 3.14Å; R402-R418 VanDerWaalsContact NH2-CG 3.35Å
403L89.2Confident84.2Confident29 Ų2960.4 Ų60.415%0.15231%0.312CS..Hα-helixtrans-60.8-42.6176.6-74.4-177000111.4P304 F399 D400 M405 I406 Y407P304-L403 HydrophobicContact CB-CD2 3.55Å; P304-L403 HydrophobicContact CG-CD2 3.84Å; F399-L403 HydrophobicContact CD1-CD1 4.13Å; F399-L403 HydrophobicContact CD1-CG 4.33Å; F399-L403 HydrophobicContact CD2-CG 4.34Å; F399-L403 HydrophobicContact CE1-CD1 3.58Å; F399-L403 HydrophobicContact CE1-CD2 4.23Å; F399-L403 HydrophobicContact CE1-CG 3.88Å; F399-L403 HydrophobicContact CE2-CD1 4.49Å; F399-L403 HydrophobicContact CE2-CD2 3.79Å; F399-L403 HydrophobicContact CE2-CG 3.89Å; F399-L403 HydrophobicContact CZ-CD1 3.79Å; F399-L403 HydrophobicContact CZ-CD2 3.54Å; F399-L403 HydrophobicContact CZ-CG 3.65Å; F399-L403 WeakPolarHBondContact O-CG 3.47Å; F399-L403 PolarHBondContact O-N 3.39Å; D400-L403 PolarHBondContact O-N 2.94Å; L403-M405 VanDerWaalsContact C-N 3.32Å; L403-M405 PolarHBondContact O-N 3.32Å; L403-I406 PolarHBondContact O-N 2.92Å; L403-Y407 HydrophobicContact CB-CD2 4.34Å; L403-Y407 HydrophobicContact CB-CE2 4.49Å; L403-Y407 HydrophobicContact CD2-CE2 3.89Å; L403-Y407 WeakPolarHBondContact O-CD2 3.24Å; L403-Y407 PolarHBondContact O-N 2.87Å
404K86.9Confident83.7Confident130 Ų13059.6 Ų59.657%0.56531%0.313SS*.Hα-helixtrans-56.9-45.8175.3-163.4-173.7177.1179.90111.6D400 E401 R402 I406 Y407 D408D400-K404 PolarHBondContact O-N 3Å; E401-K404 WeakPolarHBondContact O-CB 3.17Å; E401-K404 PolarHBondContact O-N 3.4Å; R402-K404 VanDerWaalsContact C-N 3.31Å; R402-K404 PolarHBondContact O-N 3.44Å; K404-I406 PolarHBondContact O-N 3.05Å; K404-Y407 PolarHBondContact O-N 2.92Å; K404-D408 WeakPolarHBondContact CE-OD2 3.38Å; K404-D408 HydrophobicContact CG-CB 4.13Å; K404-D408 WeakPolarHBondContact CG-OD2 3.2Å; K404-D408 VanDerWaalsContact O-CB 3.24Å; K404-D408 WeakPolarHBondContact O-CB 3.45Å; K404-D408 PolarHBondContact O-N 3.4Å
405M82.5Confident83.4Confident42 Ų4259.8 Ų59.821%0.20731%0.314CS..Hα-helixtrans-64.6-22.3176.3-66.7176.375.700114.1E401 R402 L403 T409 M416E401-M405 WeakPolarHBondContact O-CG 3.39Å; E401-M405 PolarHBondContact O-N 2.82Å; R402-M405 PolarHBondContact O-N 3.45Å; L403-M405 VanDerWaalsContact C-N 3.32Å; L403-M405 PolarHBondContact O-N 3.32Å; M405-T409 PolarHBondContact O-OG1 3.26Å; M405-T409 VanDerWaalsContact O-OG1 3.06Å; M405-M416 HydrophobicContact CB-CE 3.66Å; M405-M416 HydrophobicContact CB-SD 4.36Å; M405-M416 HydrophobicContact CE-CB 4.24Å; M405-M416 HydrophobicContact CE-CG 4.13Å; M405-M416 HydrophobicContact CE-SD 4.4Å
406I83.1Confident83Confident27 Ų2758 Ų5814%0.13830%0.303CS..Hα-helixtrans-85.4-40.4176.9-65.8172.7000110.6R402 L403 K404 M416R402-I406 HydrophobicContact CG-CD1 4.34Å; R402-I406 WeakPolarHBondContact O-CG1 3.39Å; R402-I406 PolarHBondContact O-N 2.91Å; L403-I406 PolarHBondContact O-N 2.92Å; K404-I406 PolarHBondContact O-N 3.05Å; I406-M416 HydrophobicContact CD1-CE 4.24Å; I406-M416 HydrophobicContact CG1-CE 3.47Å; I406-M416 VanDerWaalsContact CG1-CE 3.47Å
407Y81.7Confident82.9Confident128 Ų12857.7 Ų57.750%0.50230%0.301SS..Hα-helixtrans-99.2-28.2-169.7-65.9-50.8000115.3L403 K404L403-Y407 HydrophobicContact CB-CD2 4.34Å; L403-Y407 HydrophobicContact CB-CE2 4.49Å; L403-Y407 HydrophobicContact CD2-CE2 3.89Å; L403-Y407 WeakPolarHBondContact O-CD2 3.24Å; L403-Y407 PolarHBondContact O-N 2.87Å; K404-Y407 PolarHBondContact O-N 2.92Å
408D72.1Confident82.8Confident110 Ų11051.3 Ų51.359%0.58827%0.266SS*.SBendtrans-89.4-6.1-173.7-70.89.4000113.3K404K404-D408 WeakPolarHBondContact CE-OD2 3.38Å; K404-D408 HydrophobicContact CG-CB 4.13Å; K404-D408 WeakPolarHBondContact CG-OD2 3.2Å; K404-D408 VanDerWaalsContact O-CB 3.24Å; K404-D408 WeakPolarHBondContact O-CB 3.45Å; K404-D408 PolarHBondContact O-N 3.4Å
409T63.1Low83Confident61 Ų6150.2 Ų50.237%0.37426%0.26SS..  trans-121.3126-176.661.20000111.1M405 V411M405-T409 PolarHBondContact O-OG1 3.26Å; M405-T409 VanDerWaalsContact O-OG1 3.06Å; T409-V411 WeakPolarHBondContact CB-O 3.48Å; T409-V411 PolarHBondContact O-N 2.87Å; T409-V411 PolarHBondContact OG1-O 3.3Å
410D62.5Low83.1Confident135 Ų13550.1 Ų50.172%0.72226%0.26SS*.SBendtrans-60.2-22.9170.7-67.2-40000112.2Y21Y21-D410 PolarHBondContact OH-O 3Å
411V64Low83.1Confident99 Ų9946 Ų4660%0.624%0.237SC*.SBendtrans-128.5115.6175.5-173.70000108.8T409T409-V411 WeakPolarHBondContact CB-O 3.48Å; T409-V411 PolarHBondContact O-N 2.87Å; T409-V411 PolarHBondContact OG1-O 3.3Å
412P68Low83.5Confident18 Ų1842 Ų4212%0.11722%0.219CC..  trans-51.9143.2173.5-23.930.7000111.1M416 Y421P412-M416 HydrophobicContact CB-SD 4.27Å; P412-Y421 HydrophobicContact CB-CE2 3.98Å; P412-Y421 WeakPolarHBondContact CB-OH 3.46Å; P412-Y421 HydrophobicContact CG-CE2 4.33Å; P412-Y421 WeakPolarHBondContact CG-OH 3.32Å
413S77.7Confident84Confident32 Ų3241.6 Ų41.622%0.22422%0.217CC..  trans-51.9132177.8163.20000110.9T415 M416S413-T415 PolarHBondContact O-N 3.31Å; S413-T415 PolarHBondContact OG-N 3.11Å; S413-T415 PolarHBondContact OG-OG1 2.75Å; S413-M416 WeakPolarHBondContact O-CB 3.04Å; S413-M416 PolarHBondContact O-N 2.96Å
414P82.2Confident84.4Confident43 Ų4340.2 Ų40.228%0.27921%0.21SC..THydrogen-bonded Turntrans-64.3-14.1-178.326.9-34.9000112.8Y44 A460 P475Y44-P414 HydrophobicContact CD2-CB 3.91Å; Y44-P414 HydrophobicContact CD2-CG 4.32Å; Y44-P414 HydrophobicContact CE2-CB 4.34Å; Y44-P414 HydrophobicContact CE2-CG 4.29Å; P414-A460 HydrophobicContact CB-CB 4.03Å; P414-P475 HydrophobicContact CG-CB 4.4Å; P414-P475 HydrophobicContact CG-CG 3.73Å
415T88Confident84.9Confident6 Ų634 Ų344%0.03718%0.183CC..THydrogen-bonded Turntrans-104.13.3-179.163.90000112.8F382 N383 N384 V386 S413 F417 P475F382-T415 CarbonylContact C-O 3.53Å; F382-T415 VanDerWaalsContact CA-O 3.22Å; F382-T415 WeakPolarHBondContact CA-O 3.32Å; N383-T415 CarbonylContact C-O 2.97Å; N383-T415 VanDerWaalsContact C-O 3.29Å; N383-T415 PolarHBondContact N-O 3.17Å; N384-T415 PolarHBondContact N-O 3.24Å; V386-T415 HydrophobicContact CB-CG2 3.68Å; V386-T415 HydrophobicContact CG1-CG2 3.66Å; V386-T415 HydrophobicContact CG2-CG2 4.26Å; S413-T415 PolarHBondContact O-N 3.31Å; S413-T415 PolarHBondContact OG-N 3.11Å; S413-T415 PolarHBondContact OG-OG1 2.75Å; T415-F417 PolarHBondContact O-N 3.22Å; T415-P475 HydrophobicContact CG2-CB 3.58Å
416M90.1Very high85.7Confident1 Ų132 Ų321%0.00517%0.173CC..  trans-73.5118.9-175.2-173.3-179.7-16200112.5F382 R402 M405 I406 P412 S413 R418F382-M416 WeakPolarHBondContact CD1-O 3.31Å; R402-M416 VanDerWaalsContact CZ-CE 3.44Å; R402-M416 VanDerWaalsContact NE-CE 3.27Å; R402-M416 VanDerWaalsContact NH1-CE 3.31Å; M405-M416 HydrophobicContact CB-CE 3.66Å; M405-M416 HydrophobicContact CB-SD 4.36Å; M405-M416 HydrophobicContact CE-CB 4.24Å; M405-M416 HydrophobicContact CE-CG 4.13Å; M405-M416 HydrophobicContact CE-SD 4.4Å; I406-M416 HydrophobicContact CD1-CE 4.24Å; I406-M416 HydrophobicContact CG1-CE 3.47Å; I406-M416 VanDerWaalsContact CG1-CE 3.47Å; P412-M416 HydrophobicContact CB-SD 4.27Å; S413-M416 WeakPolarHBondContact O-CB 3.04Å; S413-M416 PolarHBondContact O-N 2.96Å; M416-R418 HydrophobicContact CG-CG 4.19Å; M416-R418 PolarHBondContact O-N 3.26Å; M416-R418 HydrophobicContact SD-CG 4.3Å
417F94.5Very high86.5Confident1 Ų130.7 Ų30.70%0.00417%0.166CC..  trans-69.3111172-174.3-89.3000111.3Y315 S319 Y320 L373 F382 N384 L394 R402 T415 I422Y315-F417 HydrophobicContact CD2-CB 4.38Å; Y315-F417 AromaticContact CD2-CD1 3.76Å; Y315-F417 HydrophobicContact CD2-CD1 3.76Å; Y315-F417 HydrophobicContact CD2-CD2 4.12Å; Y315-F417 HydrophobicContact CD2-CE1 4.01Å; Y315-F417 HydrophobicContact CD2-CE2 4.38Å; Y315-F417 AromaticContact CD2-CG 3.81Å; Y315-F417 HydrophobicContact CD2-CG 3.81Å; Y315-F417 HydrophobicContact CD2-CZ 4.31Å; Y315-F417 HydrophobicContact CE2-CG 4.39Å; Y315-F417 HydrophobicContact CG-CE1 4.45Å; S319-F417 WeakPolarHBondContact OG-CE2 3.45Å; Y320-F417 HydrophobicContact CD2-CD2 4.23Å; Y320-F417 HydrophobicContact CE2-CD2 4.36Å; L373-F417 HydrophobicContact CD2-CE2 4.16Å; L373-F417 HydrophobicContact CD2-CZ 3.98Å; F382-F417 WeakPolarHBondContact O-CB 3.21Å; N384-F417 VanDerWaalsContact OD1-CB 3.29Å; N384-F417 WeakPolarHBondContact OD1-CB 3.12Å; N384-F417 PolarHBondContact OD1-N 3.43Å; L394-F417 HydrophobicContact CD1-CB 4.15Å; L394-F417 HydrophobicContact CD2-CB 4.47Å; L394-F417 HydrophobicContact CD2-CD1 3.7Å; L394-F417 HydrophobicContact CD2-CE1 4.47Å; L394-F417 HydrophobicContact CD2-CG 4.47Å; R402-F417 PolarHBondContact NH1-O 2.88Å; R402-F417 PolarHBondContact NH2-O 3.14Å; T415-F417 PolarHBondContact O-N 3.22Å; F417-I422 HydrophobicContact CD2-CD1 3.36Å; F417-I422 HydrophobicContact CE2-CD1 3.39Å; F417-I422 HydrophobicContact CG-CD1 4.05Å; F417-I422 HydrophobicContact CZ-CD1 4.14Å
418R94.5Very high87.3Confident6 Ų624.6 Ų24.62%0.02314%0.143CC..  trans-128.9131.4162.2-45.7-173.366.2173.9-7.1109.5E24 E307 D311 R402 M416 S420 Y421 I422E24-R418 IonicContact OE1-NH1 2.59Å; E24-R418 IonicContact OE2-CZ 2.76Å; E24-R418 IonicContact OE2-NH1 3.64Å; E24-R418 PolarHBondContact OE2-NH1 2.04Å; E307-R418 IonicContact OE1-CZ 2.65Å; E307-R418 IonicContact OE1-NE 3.1Å; E307-R418 PolarHBondContact OE1-NE 3.41Å; E307-R418 IonicContact OE1-NH2 3.16Å; E307-R418 PolarHBondContact OE1-NH2 2.74Å; E307-R418 IonicContact OE2-CZ 3.38Å; E307-R418 IonicContact OE2-NE 3.62Å; E307-R418 IonicContact OE2-NH2 3.47Å; E307-R418 PolarHBondContact OE2-NH2 3.02Å; D311-R418 WeakPolarHBondContact OD2-CA 3.45Å; R402-R418 VanDerWaalsContact NH2-CG 3.35Å; M416-R418 HydrophobicContact CG-CG 4.19Å; M416-R418 PolarHBondContact O-N 3.26Å; M416-R418 HydrophobicContact SD-CG 4.3Å; R418-S420 WeakPolarHBondContact CB-OG 3.46Å; R418-S420 PolarHBondContact O-N 2.96Å; R418-Y421 HydrophobicContact CB-CD1 4.46Å; R418-Y421 HydrophobicContact CB-CD2 4.11Å; R418-Y421 HydrophobicContact CB-CG 4.03Å; R418-Y421 HydrophobicContact CG-CD2 3.89Å; R418-Y421 HydrophobicContact CG-CE2 3.92Å; R418-Y421 HydrophobicContact CG-CG 4.26Å; R418-Y421 PolarHBondContact NH1-OH 3.48Å; R418-Y421 PolarHBondContact O-N 2.89Å; R418-Y421 VanDerWaalsContact O-N 3.14Å; R418-I422 WeakPolarHBondContact O-CD1 3.47Å; R418-I422 VanDerWaalsContact O-CG1 3.23Å; R418-I422 WeakPolarHBondContact O-CG1 3.19Å; R418-I422 PolarHBondContact O-N 3.29Å; R418-I422 VanDerWaalsContact O-N 3.12Å
419T97Very high88.5Confident0 Ų019.4 Ų19.40%011%0.114CC..Hα-helixtrans-66.2-28.7178.8-45.70000111.6S31 D311 H314 L373 Y421 I422 A423S31-T419 VanDerWaalsContact OG-CB 3.31Å; S31-T419 WeakPolarHBondContact OG-CB 3.35Å; S31-T419 PolarHBondContact OG-OG1 3.1Å; D311-T419 WeakPolarHBondContact OD1-CB 3.36Å; D311-T419 PolarHBondContact OD1-N 3.14Å; D311-T419 VanDerWaalsContact OD1-N 3.11Å; D311-T419 PolarHBondContact OD1-OG1 2.92Å; D311-T419 PolarHBondContact OD2-N 2.54Å; H314-T419 HydrophobicContact CB-CG2 4.24Å; H314-T419 WeakPolarHBondContact CB-OG1 3.46Å; L373-T419 HydrophobicContact CD1-CG2 4.18Å; L373-T419 HydrophobicContact CD2-CG2 4.21Å; T419-Y421 VanDerWaalsContact C-N 3.32Å; T419-Y421 PolarHBondContact O-N 3.37Å; T419-I422 PolarHBondContact O-N 3.42Å; T419-A423 CarbonylContact O-C 3.5Å; T419-A423 PolarHBondContact O-N 3.16Å
420S96.2Very high90.2Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-63.1-32.9174.344.40000113.8S28 S31 T34 E307 R418 P424S28-S420 WeakPolarHBondContact O-CB 3.48Å; S31-S420 VanDerWaalsContact O-CA 3.29Å; S31-S420 WeakPolarHBondContact O-CA 3.2Å; T34-S420 WeakPolarHBondContact OG1-CB 3.41Å; E307-S420 WeakPolarHBondContact OE1-CB 3.26Å; E307-S420 PolarHBondContact OE1-OG 2.63Å; R418-S420 WeakPolarHBondContact CB-OG 3.46Å; R418-S420 PolarHBondContact O-N 2.96Å; S420-P424 WeakPolarHBondContact O-CD 3.22Å
421Y94.4Very high91.9Very high5 Ų510.2 Ų10.22%0.026%0.063CC..Hα-helixtrans-82-31.1173.8-69.1-3.9000112.9E24 L41 P412 R418 T419 N455E24-Y421 VanDerWaalsContact CD-OH 3.28Å; E24-Y421 WeakPolarHBondContact OE1-CE1 3.4Å; E24-Y421 VanDerWaalsContact OE1-CZ 3.25Å; E24-Y421 PolarHBondContact OE1-OH 3.44Å; E24-Y421 PolarHBondContact OE2-OH 2.82Å; L41-Y421 HydrophobicContact CB-CD1 4.21Å; L41-Y421 HydrophobicContact CB-CG 4.11Å; L41-Y421 HydrophobicContact CD1-CD2 4.06Å; L41-Y421 HydrophobicContact CD1-CG 4.28Å; P412-Y421 HydrophobicContact CB-CE2 3.98Å; P412-Y421 WeakPolarHBondContact CB-OH 3.46Å; P412-Y421 HydrophobicContact CG-CE2 4.33Å; P412-Y421 WeakPolarHBondContact CG-OH 3.32Å; R418-Y421 HydrophobicContact CB-CD1 4.46Å; R418-Y421 HydrophobicContact CB-CD2 4.11Å; R418-Y421 HydrophobicContact CB-CG 4.03Å; R418-Y421 HydrophobicContact CG-CD2 3.89Å; R418-Y421 HydrophobicContact CG-CE2 3.92Å; R418-Y421 HydrophobicContact CG-CG 4.26Å; R418-Y421 PolarHBondContact NH1-OH 3.48Å; R418-Y421 PolarHBondContact O-N 2.89Å; R418-Y421 VanDerWaalsContact O-N 3.14Å; T419-Y421 VanDerWaalsContact C-N 3.32Å; T419-Y421 PolarHBondContact O-N 3.37Å; Y421-N455 PolarHBondContact O-ND2 3.32Å
422I97.6Very high93.5Very high0 Ų05.7 Ų5.70%04%0.036CC..Hα-helixtrans-90.3-47.9-170-62.9166.3000111.2I372 L373 V376 F382 F417 R418 T419I372-I422 HydrophobicContact CG2-CG2 4.17Å; L373-I422 HydrophobicContact CD2-CB 4.06Å; L373-I422 HydrophobicContact CD2-CD1 4.44Å; L373-I422 HydrophobicContact CD2-CG2 3.62Å; V376-I422 HydrophobicContact CB-CG2 3.96Å; V376-I422 HydrophobicContact CG1-CG1 4.47Å; V376-I422 HydrophobicContact CG1-CG2 3.84Å; V376-I422 HydrophobicContact CG2-CG2 3.87Å; F382-I422 HydrophobicContact CB-CD1 3.97Å; F382-I422 HydrophobicContact CB-CG1 4.48Å; F382-I422 HydrophobicContact CD2-CD1 3.76Å; F382-I422 HydrophobicContact CD2-CG1 3.39Å; F382-I422 HydrophobicContact CE2-CG1 3.7Å; F382-I422 HydrophobicContact CG-CD1 4.07Å; F382-I422 HydrophobicContact CG-CG1 4.03Å; F417-I422 HydrophobicContact CD2-CD1 3.36Å; F417-I422 HydrophobicContact CE2-CD1 3.39Å; F417-I422 HydrophobicContact CG-CD1 4.05Å; F417-I422 HydrophobicContact CZ-CD1 4.14Å; R418-I422 WeakPolarHBondContact O-CD1 3.47Å; R418-I422 VanDerWaalsContact O-CG1 3.23Å; R418-I422 WeakPolarHBondContact O-CG1 3.19Å; R418-I422 PolarHBondContact O-N 3.29Å; R418-I422 VanDerWaalsContact O-N 3.12Å; T419-I422 PolarHBondContact O-N 3.42Å
423A98.1Very high95Very high0 Ų04.9 Ų4.90%03%0.03CC..SBendtrans-140.160.1-172.400000111.4R65 A369 I372 L373 T419R65-A423 PolarHBondContact NH1-O 3.11Å; A369-A423 HydrophobicContact CB-CB 4.13Å; I372-A423 HydrophobicContact CB-CB 4.31Å; I372-A423 HydrophobicContact CG2-CB 4.03Å; L373-A423 HydrophobicContact CD2-CB 4.31Å; L373-A423 HydrophobicContact CG-CB 4.15Å; T419-A423 CarbonylContact O-C 3.5Å; T419-A423 PolarHBondContact O-N 3.16Å
424P98.2Very high95.8Very high0 Ų04.6 Ų4.60%02%0.024CC..  trans-63.4173.9163.432.1-35.8000110T34 Y36 C39 R65 S420 A426 G427 N455T34-P424 HydrophobicContact CG2-CB 4.23Å; T34-P424 VanDerWaalsContact O-CB 3.3Å; T34-P424 WeakPolarHBondContact O-CB 3.48Å; Y36-P424 HydrophobicContact CD2-CG 4.34Å; C39-P424 HydrophobicContact CB-CG 4.3Å; R65-P424 VanDerWaalsContact CD-O 3.24Å; R65-P424 WeakPolarHBondContact CD-O 3.42Å; R65-P424 PolarHBondContact NH1-O 3.32Å; S420-P424 WeakPolarHBondContact O-CD 3.22Å; P424-A426 PolarHBondContact O-N 3.22Å; P424-G427 PolarHBondContact O-N 2.8Å; P424-N455 WeakPolarHBondContact CD-ND2 3.38Å
425F98.6Very high96.5Very high0 Ų03.8 Ų3.80%02%0.016CC..THydrogen-bonded Turntrans-55.9142.6168.8-75-62.9000109.8K33 T34 Y36 R65 G67 T68 R69 Y280 A283 G427K33-F425 HydrophobicContact CB-CE2 4.32Å; K33-F425 HydrophobicContact CD-CE2 4.05Å; K33-F425 HydrophobicContact CD-CZ 3.73Å; T34-F425 PolarHBondContact O-N 3.43Å; Y36-F425 VanDerWaalsContact CB-O 3.29Å; Y36-F425 WeakPolarHBondContact CB-O 3.31Å; Y36-F425 WeakPolarHBondContact CD2-O 3.48Å; R65-F425 VanDerWaalsContact NH1-N 3.18Å; G67-F425 WeakPolarHBondContact O-CD1 3.42Å; T68-F425 VanDerWaalsContact OG1-CB 3.3Å; T68-F425 WeakPolarHBondContact OG1-CB 3.43Å; R69-F425 HydrophobicContact CG-CE1 3.77Å; R69-F425 HydrophobicContact CG-CZ 4.36Å; Y280-F425 HydrophobicContact CD1-CE2 4.48Å; Y280-F425 HydrophobicContact CD1-CZ 4.17Å; Y280-F425 AromaticContact CE1-CZ 3.8Å; Y280-F425 HydrophobicContact CE1-CZ 3.8Å; A283-F425 HydrophobicContact CB-CD2 3.69Å; A283-F425 HydrophobicContact CB-CE2 3.75Å; F425-G427 PolarHBondContact O-N 2.7Å
426A98.6Very high96.8Very high0 Ų03.7 Ų3.70%02%0.015CC..THydrogen-bonded Turntrans56.113.7-172.400000116Y36 R65 H66 E122 L126 P424Y36-A426 HydrophobicContact CD2-CB 4.14Å; Y36-A426 HydrophobicContact CG-CB 4.26Å; R65-A426 WeakPolarHBondContact O-CA 3.04Å; H66-A426 PolarHBondContact O-N 2.93Å; H66-A426 VanDerWaalsContact O-N 3.1Å; E122-A426 HydrophobicContact CB-CB 3.79Å; E122-A426 HydrophobicContact CG-CB 4.29Å; L126-A426 HydrophobicContact CD1-CB 3.85Å; P424-A426 PolarHBondContact O-N 3.22Å
427G98.7Very high96.9Very high0 Ų06.4 Ų6.40%03%0.033CC..  trans-58.5146.317800000112.6R65 P424 F425 N455R65-G427 WeakPolarHBondContact CB-O 3.45Å; R65-G427 PolarHBondContact N-O 2.91Å; P424-G427 PolarHBondContact O-N 2.8Å; F425-G427 PolarHBondContact O-N 2.7Å; G427-N455 WeakPolarHBondContact CA-OD1 3.42Å
428N98.8Very high96.7Very high0 Ų011 Ų110%06%0.058CC..EExtended strand (participates in β ladder)trans-142.6153.1-171.859.482.4000113.6Y36 V62 L63 L64 I454 N455 E456Y36-N428 WeakPolarHBondContact CE2-ND2 3.26Å; Y36-N428 PolarHBondContact OH-ND2 3.45Å; V62-N428 HydrophobicContact CG1-CB 4.12Å; L63-N428 CarbonylContact O-C 3.51Å; L63-N428 WeakPolarHBondContact O-CA 3.14Å; L63-N428 WeakPolarHBondContact O-CB 3.41Å; L64-N428 HydrophobicContact CD2-CB 4.23Å; L64-N428 HydrophobicContact CG-CB 4.07Å; N428-I454 WeakPolarHBondContact O-CA 3.48Å; N428-N455 PolarHBondContact N-OD1 3.33Å; N428-N455 PolarHBondContact O-N 3.07Å; N428-N455 WeakPolarHBondContact OD1-CA 3.01Å; N428-N455 PolarHBondContact OD1-N 2.77Å; N428-E456 PolarHBondContact OD1-N 3.41Å
429V98.7Very high96.5Very high0 Ų012.3 Ų12.30%07%0.065CC..EExtended strand (participates in β ladder)trans-122.2117.3170.8-175.50000107.2V62 L63 I372 V376 L379 F431 V452 L453 I454V62-V429 CarbonylContact C-O 3.55Å; V62-V429 WeakPolarHBondContact CA-O 3.5Å; L63-V429 PolarHBondContact N-O 2.94Å; L63-V429 PolarHBondContact O-N 3.49Å; I372-V429 HydrophobicContact CD1-CG2 4.01Å; I372-V429 HydrophobicContact CG2-CG2 4Å; V376-V429 HydrophobicContact CG2-CG2 3.57Å; L379-V429 HydrophobicContact CD1-CG1 4.25Å; V429-F431 HydrophobicContact CG1-CD2 4.49Å; V429-F431 HydrophobicContact CG1-CE2 3.82Å; V429-F431 HydrophobicContact CG1-CZ 4.08Å; V429-V452 HydrophobicContact CG1-CG1 4.12Å; V429-L453 CarbonylContact C-O 3.55Å; V429-L453 WeakPolarHBondContact CA-O 3.49Å; V429-I454 HydrophobicContact CB-CD1 4.13Å; V429-I454 HydrophobicContact CG1-CD1 3.82Å; V429-I454 HydrophobicContact CG2-CD1 3.68Å
430A98.7Very high96Very high0 Ų020.5 Ų20.50%011%0.109CC..EExtended strand (participates in β ladder)trans-110.8133.4178.300000111N61 V62 F130 L432 V452 L453N61-A430 CarbonylContact O-C 3.55Å; N61-A430 WeakPolarHBondContact O-CA 3.22Å; V62-A430 HydrophobicContact CG1-CB 4.2Å; V62-A430 HydrophobicContact CG2-CB 4.04Å; F130-A430 HydrophobicContact CE1-CB 4.15Å; F130-A430 HydrophobicContact CZ-CB 4.2Å; A430-L432 HydrophobicContact CB-CD2 4.38Å; A430-V452 CarbonylContact O-C 3.4Å; A430-V452 VanDerWaalsContact O-CA 3.29Å; A430-V452 WeakPolarHBondContact O-CA 3.35Å; A430-L453 HydrophobicContact CB-CB 4.18Å; A430-L453 PolarHBondContact N-O 3.19Å; A430-L453 PolarHBondContact O-N 2.79Å
431F98.5Very high95.6Very high4 Ų422 Ų222%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-107113.3169.9-56.7-99.8000108N61 L333 I336 I340 I375 L379 V429 I450 V452N61-F431 HydrophobicContact CB-CB 4.25Å; N61-F431 PolarHBondContact N-O 3.39Å; N61-F431 PolarHBondContact O-N 3.32Å; L333-F431 HydrophobicContact CD1-CE1 4.46Å; L333-F431 HydrophobicContact CD1-CZ 4.16Å; I336-F431 HydrophobicContact CD1-CE2 4.12Å; I336-F431 HydrophobicContact CG2-CD2 3.82Å; I336-F431 HydrophobicContact CG2-CE2 4Å; I336-F431 HydrophobicContact CG2-CG 4.1Å; I336-F431 HydrophobicContact CG2-CZ 4.41Å; I340-F431 HydrophobicContact CD1-CB 3.81Å; I340-F431 HydrophobicContact CD1-CG 4.37Å; I375-F431 HydrophobicContact CG2-CZ 4.41Å; L379-F431 HydrophobicContact CD1-CE1 3.98Å; L379-F431 HydrophobicContact CD1-CZ 3.79Å; L379-F431 HydrophobicContact CD2-CE1 3.85Å; L379-F431 HydrophobicContact CD2-CZ 4.2Å; V429-F431 HydrophobicContact CG1-CD2 4.49Å; V429-F431 HydrophobicContact CG1-CE2 3.82Å; V429-F431 HydrophobicContact CG1-CZ 4.08Å; F431-I450 HydrophobicContact CB-CG2 4.29Å; F431-I450 HydrophobicContact CD1-CG2 4.19Å; F431-V452 HydrophobicContact CD1-CG2 3.85Å; F431-V452 HydrophobicContact CE1-CG2 4.03Å
432L97.5Very high95.4Very high4 Ų430 Ų302%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-105.1114.9-179.9-55.5-173.6000108.9L57 V60 L133 A430 Y434 I450 K451 L453L57-L432 HydrophobicContact CD1-CB 3.75Å; L57-L432 HydrophobicContact CD1-CD2 4.43Å; V60-L432 HydrophobicContact CB-CD2 4.28Å; V60-L432 HydrophobicContact CG1-CD2 3.88Å; V60-L432 HydrophobicContact CG2-CD2 3.88Å; L133-L432 HydrophobicContact CD2-CD2 4.34Å; A430-L432 HydrophobicContact CB-CD2 4.38Å; L432-Y434 HydrophobicContact CB-CD2 4.23Å; L432-Y434 HydrophobicContact CB-CE2 3.63Å; L432-Y434 HydrophobicContact CD1-CE2 4.27Å; L432-I450 WeakPolarHBondContact O-CA 3.26Å; L432-K451 HydrophobicContact CB-CB 4.33Å; L432-K451 PolarHBondContact N-O 3.14Å; L432-K451 PolarHBondContact O-N 3.22Å; L432-L453 HydrophobicContact CD1-CD1 3.67Å; L432-L453 HydrophobicContact CD1-CG 4.13Å; L432-L453 HydrophobicContact CG-CD1 4.39Å
433L97.9Very high95.1Very high0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-89.4118.2176.5179.566.7000109.6V58 H59 I340 V343 A344 F448 I450V58-L433 HydrophobicContact CB-CD2 4.47Å; V58-L433 PolarHBondContact N-O 2.79Å; H59-L433 HydrophobicContact CB-CB 4.02Å; H59-L433 HydrophobicContact CB-CD2 4.19Å; H59-L433 PolarHBondContact N-O 3.34Å; H59-L433 PolarHBondContact O-N 3.28Å; I340-L433 HydrophobicContact CG2-CB 4.3Å; I340-L433 HydrophobicContact CG2-CD1 3.76Å; I340-L433 HydrophobicContact CG2-CD2 4.03Å; I340-L433 HydrophobicContact CG2-CG 4.23Å; V343-L433 HydrophobicContact CB-CD2 4.26Å; V343-L433 HydrophobicContact CG1-CD2 4.03Å; A344-L433 HydrophobicContact CB-CD2 4.46Å; L433-F448 HydrophobicContact CD1-CB 3.91Å; L433-F448 HydrophobicContact CD1-CD1 4.02Å; L433-F448 HydrophobicContact CD1-CG 4.41Å; L433-F448 HydrophobicContact CD2-CD1 4.22Å; L433-F448 HydrophobicContact CG-CD1 4.19Å; L433-I450 HydrophobicContact CD1-CG1 4.06Å
434Y95.8Very high94.9Very high27 Ų2736.1 Ų36.111%0.10620%0.195CC..EExtended strand (participates in β ladder)trans-107.2144.7173.4-71.9-93.6000110.9F52 C55 T56 L57 L432 F448 R449 K451F52-Y434 HydrophobicContact CD1-CD1 4.01Å; F52-Y434 HydrophobicContact CD1-CD2 4.22Å; F52-Y434 HydrophobicContact CD1-CE1 4.36Å; F52-Y434 AromaticContact CD1-CG 3.94Å; F52-Y434 HydrophobicContact CD1-CG 3.94Å; F52-Y434 HydrophobicContact CE1-CD1 4.27Å; F52-Y434 AromaticContact CE1-CD2 3.72Å; F52-Y434 HydrophobicContact CE1-CD2 3.72Å; F52-Y434 HydrophobicContact CE1-CE2 4.27Å; F52-Y434 AromaticContact CE1-CG 3.72Å; F52-Y434 HydrophobicContact CE1-CG 3.72Å; C55-Y434 HydrophobicContact CB-CD1 4.1Å; T56-Y434 CarbonylContact O-C 3.6Å; T56-Y434 VanDerWaalsContact O-CA 3.29Å; T56-Y434 WeakPolarHBondContact O-CA 3.47Å; L57-Y434 HydrophobicContact CB-CD1 4.13Å; L57-Y434 HydrophobicContact CB-CE1 3.8Å; L57-Y434 HydrophobicContact CD1-CD1 4.4Å; L57-Y434 HydrophobicContact CD1-CD2 4.14Å; L57-Y434 HydrophobicContact CD1-CE1 4.05Å; L57-Y434 HydrophobicContact CD1-CE2 3.77Å; L57-Y434 HydrophobicContact CD1-CG 4.44Å; L432-Y434 HydrophobicContact CB-CD2 4.23Å; L432-Y434 HydrophobicContact CB-CE2 3.63Å; L432-Y434 HydrophobicContact CD1-CE2 4.27Å; Y434-F448 CarbonylContact O-C 3.58Å; Y434-F448 VanDerWaalsContact O-CA 3.27Å; Y434-F448 WeakPolarHBondContact O-CA 3.48Å; Y434-R449 PolarHBondContact N-O 3.01Å; Y434-R449 PolarHBondContact O-N 2.9Å; Y434-K451 HydrophobicContact CD2-CB 4.4Å; Y434-K451 HydrophobicContact CE2-CB 4.17Å; Y434-K451 HydrophobicContact CE2-CD 4.42Å
435Y95.9Very high94.8Very high25 Ų2537.5 Ų37.510%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-105.6127.3165.9173.3-115.5000109.9C55 T56 F347 Y352 P437 K447 F448C55-Y435 CarbonylContact C-O 3.54Å; C55-Y435 VanDerWaalsContact CA-O 3.27Å; C55-Y435 WeakPolarHBondContact CA-O 3.49Å; T56-Y435 PolarHBondContact N-O 3.22Å; T56-Y435 PolarHBondContact O-N 2.81Å; F347-Y435 HydrophobicContact CD1-CG 4.34Å; F347-Y435 AromaticContact CE1-CD1 3.7Å; F347-Y435 HydrophobicContact CE1-CD1 3.7Å; F347-Y435 HydrophobicContact CE1-CE1 4.34Å; F347-Y435 AromaticContact CE1-CG 3.83Å; F347-Y435 HydrophobicContact CE1-CG 3.83Å; Y352-Y435 HydrophobicContact CD1-CD1 4.27Å; Y352-Y435 HydrophobicContact CD1-CD2 4.07Å; Y352-Y435 AromaticContact CD1-CE1 3.71Å; Y352-Y435 HydrophobicContact CD1-CE1 3.71Å; Y352-Y435 AromaticContact CD1-CE2 3.51Å; Y352-Y435 HydrophobicContact CD1-CE2 3.51Å; Y352-Y435 HydrophobicContact CD1-CG 4.41Å; Y352-Y435 AromaticContact CD1-CZ 3.29Å; Y352-Y435 WeakPolarHBondContact CD1-OH 3.41Å; Y352-Y435 HydrophobicContact CE1-CD2 4.17Å; Y352-Y435 HydrophobicContact CE1-CE1 4.4Å; Y352-Y435 AromaticContact CE1-CE2 3.41Å; Y352-Y435 HydrophobicContact CE1-CE2 3.41Å; Y352-Y435 VanDerWaalsContact CE1-CE2 3.41Å; Y352-Y435 AromaticContact CE1-CZ 3.54Å; Y352-Y435 AromaticContact CG-CE1 3.99Å; Y352-Y435 HydrophobicContact CG-CE1 3.99Å; Y352-Y435 HydrophobicContact CG-CE2 4.44Å; Y352-Y435 AromaticContact CG-CZ 3.8Å; Y435-P437 HydrophobicContact CE1-CB 3.78Å; Y435-P437 HydrophobicContact CE1-CG 4.12Å; Y435-K447 HydrophobicContact CD2-CB 4.26Å; Y435-K447 HydrophobicContact CE2-CB 3.93Å; Y435-F448 HydrophobicContact CD2-CD1 4.3Å; Y435-F448 HydrophobicContact CD2-CD2 4.42Å; Y435-F448 AromaticContact CD2-CE1 3.95Å; Y435-F448 HydrophobicContact CD2-CE1 3.95Å; Y435-F448 HydrophobicContact CD2-CE2 4.06Å; Y435-F448 AromaticContact CD2-CZ 3.83Å; Y435-F448 HydrophobicContact CD2-CZ 3.83Å; Y435-F448 HydrophobicContact CE2-CE2 4.45Å; Y435-F448 HydrophobicContact CE2-CZ 4.44Å; Y435-F448 HydrophobicContact CG-CE1 4.29Å; Y435-F448 HydrophobicContact CG-CZ 4.5Å
436C94.4Very high94.6Very high4 Ų439.2 Ų39.23%0.02721%0.212CC..  trans-124.389.2-174.7-57.20000109.2C55 D438 L439 K447C55-C436 HydrophobicContact CB-CB 4.11Å; C55-C436 WeakPolarHBondContact CB-SG 3.36Å; C55-C436 WeakPolarHBondContact SG-CB 3.27Å; C55-C436 CovalentContact SG-SG 2.03Å; C55-C436 PolarHBondContact SG-SG 2.91Å; C436-D438 PolarHBondContact O-N 2.77Å; C436-L439 HydrophobicContact CB-CD1 3.56Å; C436-L439 HydrophobicContact CB-CG 3.61Å; C436-L439 PolarHBondContact O-N 2.87Å; C436-K447 PolarHBondContact N-O 2.87Å
437P92.1Very high94.4Very high59 Ų5941.1 Ų41.138%0.38322%0.22SC..THydrogen-bonded Turntrans-64.7-27.5-173.224.1-33.4000113.8Y435 L439Y435-P437 HydrophobicContact CE1-CB 3.78Å; Y435-P437 HydrophobicContact CE1-CG 4.12Å; P437-L439 VanDerWaalsContact C-N 3.26Å; P437-L439 PolarHBondContact O-N 3.45Å
438D90.9Very high94.4Very high98 Ų9841.1 Ų41.152%0.52422%0.22SC..THydrogen-bonded Turntrans-81.1-1-176.2-68.43.7000113.5R54 C436 D440R54-D438 WeakPolarHBondContact CD-OD2 3.29Å; R54-D438 IonicContact CZ-OD2 2.81Å; R54-D438 IonicContact NE-OD2 3.41Å; R54-D438 IonicContact NH1-OD2 2.81Å; R54-D438 PolarHBondContact NH1-OD2 2.86Å; C436-D438 PolarHBondContact O-N 2.77Å; D438-D440 PolarHBondContact O-N 3.35Å
439L90.2Very high94.2Very high32 Ų3243 Ų4317%0.16823%0.227CC..  trans-72.9123.9175.3-63.9-176.3000110.2Q51 C436 P437 S441 K447 R449Q51-L439 HydrophobicContact CG-CD2 4.08Å; C436-L439 HydrophobicContact CB-CD1 3.56Å; C436-L439 HydrophobicContact CB-CG 3.61Å; C436-L439 PolarHBondContact O-N 2.87Å; P437-L439 VanDerWaalsContact C-N 3.26Å; P437-L439 PolarHBondContact O-N 3.45Å; L439-S441 PolarHBondContact O-N 2.85Å; L439-K447 HydrophobicContact CB-CG 4.39Å; L439-R449 HydrophobicContact CD1-CG 3.9Å
440D86.4Confident94.1Very high172 Ų17243 Ų4392%0.9223%0.227SC*.  trans-7689.4176.4-165.822.5000109.7D438D438-D440 PolarHBondContact O-N 3.35Å
441S88.4Confident93.9Very high33 Ų3344.6 Ų44.623%0.23123%0.234CC..  trans-147134.4173.1-178.40000110.6L439 N443 D446 K447L439-S441 PolarHBondContact O-N 2.85Å; S441-N443 PolarHBondContact O-N 3.36Å; S441-N443 PolarHBondContact OG-N 2.95Å; S441-N443 PolarHBondContact OG-O 3.47Å; S441-D446 WeakPolarHBondContact OG-CB 3.06Å; S441-D446 PolarHBondContact OG-OD2 3.43Å; S441-K447 WeakPolarHBondContact O-CE 3.47Å
442D88.9Confident93.7Very high173 Ų17344.4 Ų44.493%0.92523%0.233SC*.SBendtrans-67.4-26.1173.5-67.8-34.8000112.3
443N93Very high93.7Very high62 Ų6245.2 Ų45.233%0.33224%0.237SC..SBendtrans-92110.4176.3173.319.1000109.8S441 L445 D446 T483S441-N443 PolarHBondContact O-N 3.36Å; S441-N443 PolarHBondContact OG-N 2.95Å; S441-N443 PolarHBondContact OG-O 3.47Å; N443-L445 PolarHBondContact O-N 3.18Å; N443-L445 VanDerWaalsContact O-N 3.08Å; N443-L445 PolarHBondContact OD1-N 2.93Å; N443-L445 VanDerWaalsContact OD1-N 3.14Å; N443-D446 WeakPolarHBondContact CB-OD2 3.33Å; N443-D446 PolarHBondContact ND2-OD2 3.4Å; N443-D446 WeakPolarHBondContact O-CB 3.32Å; N443-D446 PolarHBondContact O-N 3.29Å; N443-T483 PolarHBondContact ND2-OG1 3.04Å
444D92.7Very high93.7Very high65 Ų6545.2 Ų45.235%0.34824%0.237SC..G310 helixtrans-59.9-23.5-178.3-74.8-30.8000113.7Y352 D446 K447 F448Y352-D444 PolarHBondContact OH-OD2 2.75Å; D444-D446 PolarHBondContact O-N 3.36Å; D444-K447 WeakPolarHBondContact O-CB 3.5Å; D444-K447 PolarHBondContact O-N 3.38Å; D444-K447 IonicContact OD1-NZ 3.73Å; D444-K447 PolarHBondContact OD1-NZ 3.43Å; D444-F448 WeakPolarHBondContact O-CD2 3.39Å
445L96.1Very high93.8Very high29 Ų2944.2 Ų44.215%0.15223%0.234CC..G310 helixtrans-68.2-23.7174.1-64.8-179.4000112.6Y341 I345 N443 K447 F448 L482 L486Y341-L445 HydrophobicContact CE2-CD1 4.18Å; I345-L445 HydrophobicContact CD1-CD2 4.11Å; N443-L445 PolarHBondContact O-N 3.18Å; N443-L445 VanDerWaalsContact O-N 3.08Å; N443-L445 PolarHBondContact OD1-N 2.93Å; N443-L445 VanDerWaalsContact OD1-N 3.14Å; L445-K447 VanDerWaalsContact C-N 3.25Å; L445-K447 PolarHBondContact O-N 3.42Å; L445-F448 WeakPolarHBondContact O-CB 3.46Å; L445-F448 PolarHBondContact O-N 3.29Å; L445-F448 VanDerWaalsContact O-N 3.13Å; L445-L482 HydrophobicContact CD2-CD2 3.99Å; L445-L486 HydrophobicContact CD1-CD1 4.19Å
446D94.9Very high93.8Very high37 Ų3746 Ų4620%0.19824%0.243CC..G310 helixtrans-74.1-19.1175.4-69.4-46.6000113.4S441 N443 D444 F448 S481 T483S441-D446 WeakPolarHBondContact OG-CB 3.06Å; S441-D446 PolarHBondContact OG-OD2 3.43Å; N443-D446 WeakPolarHBondContact CB-OD2 3.33Å; N443-D446 PolarHBondContact ND2-OD2 3.4Å; N443-D446 WeakPolarHBondContact O-CB 3.32Å; N443-D446 PolarHBondContact O-N 3.29Å; D444-D446 PolarHBondContact O-N 3.36Å; D446-F448 PolarHBondContact O-N 3.13Å; D446-S481 VanDerWaalsContact OD1-CB 3.23Å; D446-S481 WeakPolarHBondContact OD1-CB 3.06Å; D446-S481 PolarHBondContact OD1-OG 3.48Å; D446-T483 VanDerWaalsContact CG-OG1 3.24Å; D446-T483 WeakPolarHBondContact OD1-CB 3.44Å; D446-T483 PolarHBondContact OD1-OG1 3.18Å; D446-T483 PolarHBondContact OD2-OG1 3.4Å
447K95.2Very high93.8Very high39 Ų3949.7 Ų49.717%0.1726%0.259CS..G310 helixtrans-71.5-11.2169.8-59.8175.2-176.1157.40112.2Y435 C436 L439 S441 D444 L445Y435-K447 HydrophobicContact CD2-CB 4.26Å; Y435-K447 HydrophobicContact CE2-CB 3.93Å; C436-K447 PolarHBondContact N-O 2.87Å; L439-K447 HydrophobicContact CB-CG 4.39Å; S441-K447 WeakPolarHBondContact O-CE 3.47Å; D444-K447 WeakPolarHBondContact O-CB 3.5Å; D444-K447 PolarHBondContact O-N 3.38Å; D444-K447 IonicContact OD1-NZ 3.73Å; D444-K447 PolarHBondContact OD1-NZ 3.43Å; L445-K447 VanDerWaalsContact C-N 3.25Å; L445-K447 PolarHBondContact O-N 3.42Å
448F96.7Very high93.8Very high0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-97124.1170.8-68.5-89.5000110.6A344 F347 Q348 Y352 L433 Y434 Y435 D444 L445 D446 S481 L482A344-F448 HydrophobicContact CB-CD1 3.84Å; A344-F448 HydrophobicContact CB-CD2 4.02Å; A344-F448 HydrophobicContact CB-CE1 3.86Å; A344-F448 HydrophobicContact CB-CE2 4.05Å; A344-F448 HydrophobicContact CB-CG 3.91Å; A344-F448 HydrophobicContact CB-CZ 3.95Å; F347-F448 HydrophobicContact CB-CE1 4.44Å; F347-F448 HydrophobicContact CB-CZ 4.35Å; F347-F448 AromaticContact CD1-CE1 3.88Å; F347-F448 HydrophobicContact CD1-CE1 3.88Å; F347-F448 AromaticContact CD1-CZ 3.9Å; F347-F448 HydrophobicContact CD1-CZ 3.9Å; Q348-F448 HydrophobicContact CG-CE2 3.9Å; Q348-F448 HydrophobicContact CG-CZ 4.08Å; Y352-F448 HydrophobicContact CD1-CZ 4.44Å; Y352-F448 HydrophobicContact CE1-CE2 4.3Å; Y352-F448 HydrophobicContact CE1-CZ 4.18Å; L433-F448 HydrophobicContact CD1-CB 3.91Å; L433-F448 HydrophobicContact CD1-CD1 4.02Å; L433-F448 HydrophobicContact CD1-CG 4.41Å; L433-F448 HydrophobicContact CD2-CD1 4.22Å; L433-F448 HydrophobicContact CG-CD1 4.19Å; Y434-F448 CarbonylContact O-C 3.58Å; Y434-F448 VanDerWaalsContact O-CA 3.27Å; Y434-F448 WeakPolarHBondContact O-CA 3.48Å; Y435-F448 HydrophobicContact CD2-CD1 4.3Å; Y435-F448 HydrophobicContact CD2-CD2 4.42Å; Y435-F448 AromaticContact CD2-CE1 3.95Å; Y435-F448 HydrophobicContact CD2-CE1 3.95Å; Y435-F448 HydrophobicContact CD2-CE2 4.06Å; Y435-F448 AromaticContact CD2-CZ 3.83Å; Y435-F448 HydrophobicContact CD2-CZ 3.83Å; Y435-F448 HydrophobicContact CE2-CE2 4.45Å; Y435-F448 HydrophobicContact CE2-CZ 4.44Å; Y435-F448 HydrophobicContact CG-CE1 4.29Å; Y435-F448 HydrophobicContact CG-CZ 4.5Å; D444-F448 WeakPolarHBondContact O-CD2 3.39Å; L445-F448 WeakPolarHBondContact O-CB 3.46Å; L445-F448 PolarHBondContact O-N 3.29Å; L445-F448 VanDerWaalsContact O-N 3.13Å; D446-F448 PolarHBondContact O-N 3.13Å; F448-S481 WeakPolarHBondContact O-CA 3.25Å; F448-L482 HydrophobicContact CB-CB 3.94Å; F448-L482 HydrophobicContact CB-CD2 4.11Å; F448-L482 PolarHBondContact O-N 2.97Å
449R95.1Very high93.9Very high39 Ų3943.4 Ų43.415%0.14722%0.223CC..EExtended strand (participates in β ladder)trans-117.4131.5-178.4-56.8-63.4-64.7-169.8-1.1110F52 Y434 L439 N479 A480 S481F52-R449 HydrophobicContact CE1-CB 4.43Å; F52-R449 HydrophobicContact CZ-CB 4.43Å; Y434-R449 PolarHBondContact N-O 3.01Å; Y434-R449 PolarHBondContact O-N 2.9Å; L439-R449 HydrophobicContact CD1-CG 3.9Å; R449-N479 VanDerWaalsContact CZ-OD1 3.25Å; R449-N479 PolarHBondContact NE-OD1 3.01Å; R449-N479 PolarHBondContact NH2-O 2.88Å; R449-N479 PolarHBondContact NH2-OD1 3.47Å; R449-A480 CarbonylContact C-O 3.56Å; R449-A480 WeakPolarHBondContact CA-O 3.34Å; R449-A480 VanDerWaalsContact CZ-C 3.47Å; R449-S481 VanDerWaalsContact CZ-N 3.3Å; R449-S481 VanDerWaalsContact NH1-N 3.19Å
450I96Very high94Very high2 Ų242 Ų421%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-101.6122.1175.5-61.4164.1000108.5I340 F431 L432 L433 V452 W461 N479 A480 L482 I485I340-I450 HydrophobicContact CD1-CD1 4.48Å; I340-I450 HydrophobicContact CG2-CD1 3.88Å; I340-I450 HydrophobicContact CG2-CG1 4.12Å; F431-I450 HydrophobicContact CB-CG2 4.29Å; F431-I450 HydrophobicContact CD1-CG2 4.19Å; L432-I450 WeakPolarHBondContact O-CA 3.26Å; L433-I450 HydrophobicContact CD1-CG1 4.06Å; I450-V452 HydrophobicContact CG2-CG2 4.5Å; I450-W461 HydrophobicContact CG2-CZ3 4.43Å; I450-N479 CarbonylContact O-C 3.6Å; I450-N479 WeakPolarHBondContact O-CA 3.46Å; I450-N479 WeakPolarHBondContact O-CB 3.39Å; I450-A480 PolarHBondContact N-O 3.31Å; I450-A480 PolarHBondContact O-N 3.07Å; I450-L482 HydrophobicContact CD1-CD1 3.84Å; I450-I485 HydrophobicContact CD1-CB 4Å; I450-I485 HydrophobicContact CD1-CG1 3.85Å; I450-I485 HydrophobicContact CD1-CG2 3.88Å
451K94.8Very high94.3Very high33 Ų3333.9 Ų33.914%0.14317%0.172CC..EExtended strand (participates in β ladder)trans-103.9127.5171177.5169.1-171.3175.80109.5L432 Y434 L453 T478 N479L432-K451 HydrophobicContact CB-CB 4.33Å; L432-K451 PolarHBondContact N-O 3.14Å; L432-K451 PolarHBondContact O-N 3.22Å; Y434-K451 HydrophobicContact CD2-CB 4.4Å; Y434-K451 HydrophobicContact CE2-CB 4.17Å; Y434-K451 HydrophobicContact CE2-CD 4.42Å; K451-L453 HydrophobicContact CD-CD2 4.41Å; K451-L453 HydrophobicContact CG-CD2 4.2Å; K451-T478 WeakPolarHBondContact CG-O 3.44Å; K451-N479 HydrophobicContact CB-CB 4.23Å
452V95.8Very high94.5Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-97.8131.7175.7179.30000109.4L379 I381 V429 A430 F431 I450 I454 I459 W461L379-V452 HydrophobicContact CD1-CG1 4.39Å; I381-V452 HydrophobicContact CD1-CB 4.48Å; I381-V452 HydrophobicContact CD1-CG1 3.81Å; V429-V452 HydrophobicContact CG1-CG1 4.12Å; A430-V452 CarbonylContact O-C 3.4Å; A430-V452 VanDerWaalsContact O-CA 3.29Å; A430-V452 WeakPolarHBondContact O-CA 3.35Å; F431-V452 HydrophobicContact CD1-CG2 3.85Å; F431-V452 HydrophobicContact CE1-CG2 4.03Å; I450-V452 HydrophobicContact CG2-CG2 4.5Å; V452-I454 HydrophobicContact CG1-CD1 4.38Å; V452-I459 HydrophobicContact CB-CD1 4.27Å; V452-I459 HydrophobicContact CG1-CD1 4.43Å; V452-I459 HydrophobicContact CG1-CG1 4.37Å; V452-W461 HydrophobicContact CG2-CD2 4.3Å; V452-W461 HydrophobicContact CG2-CE3 3.89Å; V452-W461 HydrophobicContact CG2-CH2 3.77Å; V452-W461 HydrophobicContact CG2-CZ2 4.24Å; V452-W461 HydrophobicContact CG2-CZ3 3.62Å
453L96.8Very high94.5Very high20 Ų2026 Ų2611%0.10513%0.128CC..EExtended strand (participates in β ladder)trans-114.9143.6169.2-51.6-179.8000110V429 A430 L432 K451 K457 T458V429-L453 CarbonylContact C-O 3.55Å; V429-L453 WeakPolarHBondContact CA-O 3.49Å; A430-L453 HydrophobicContact CB-CB 4.18Å; A430-L453 PolarHBondContact N-O 3.19Å; A430-L453 PolarHBondContact O-N 2.79Å; L432-L453 HydrophobicContact CD1-CD1 3.67Å; L432-L453 HydrophobicContact CD1-CG 4.13Å; L432-L453 HydrophobicContact CG-CD1 4.39Å; K451-L453 HydrophobicContact CD-CD2 4.41Å; K451-L453 HydrophobicContact CG-CD2 4.2Å; L453-K457 CarbonylContact C-O 3.57Å; L453-K457 WeakPolarHBondContact CA-O 3.49Å; L453-K457 WeakPolarHBondContact CB-O 3.22Å; L453-T458 HydrophobicContact CD2-CG2 3.83Å
454I97.6Very high94.3Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-116.9122168.9-55.9-66.1000107.4L41 V376 F382 N428 V429 V452 E456 K457 I459L41-I454 HydrophobicContact CD2-CB 3.94Å; L41-I454 HydrophobicContact CD2-CG2 3.86Å; L41-I454 WeakPolarHBondContact CD2-O 3.02Å; V376-I454 HydrophobicContact CG2-CD1 3.85Å; F382-I454 HydrophobicContact CE2-CB 4.33Å; F382-I454 HydrophobicContact CE2-CG1 3.97Å; F382-I454 HydrophobicContact CE2-CG2 4.05Å; F382-I454 HydrophobicContact CZ-CB 4.43Å; F382-I454 HydrophobicContact CZ-CG1 4.36Å; F382-I454 HydrophobicContact CZ-CG2 4.32Å; N428-I454 WeakPolarHBondContact O-CA 3.48Å; V429-I454 HydrophobicContact CB-CD1 4.13Å; V429-I454 HydrophobicContact CG1-CD1 3.82Å; V429-I454 HydrophobicContact CG2-CD1 3.68Å; V452-I454 HydrophobicContact CG1-CD1 4.38Å; I454-E456 PolarHBondContact O-N 2.7Å; I454-K457 PolarHBondContact N-O 3.32Å; I454-K457 WeakPolarHBondContact O-CA 3.13Å; I454-K457 WeakPolarHBondContact O-CB 3.21Å; I454-K457 PolarHBondContact O-N 2.98Å; I454-I459 HydrophobicContact CB-CG2 3.87Å; I454-I459 HydrophobicContact CG1-CG1 4.13Å; I454-I459 HydrophobicContact CG1-CG2 3.67Å
455N97.4Very high94.1Very high6 Ų621 Ų213%0.03210%0.103CC..THydrogen-bonded Turntrans50.245.6-176.9-56.5-34.6000112.6Y36 Y421 P424 G427 N428 K457Y36-N455 HydrophobicContact CE2-CB 3.95Å; Y421-N455 PolarHBondContact O-ND2 3.32Å; P424-N455 WeakPolarHBondContact CD-ND2 3.38Å; G427-N455 WeakPolarHBondContact CA-OD1 3.42Å; N428-N455 PolarHBondContact N-OD1 3.33Å; N428-N455 PolarHBondContact O-N 3.07Å; N428-N455 WeakPolarHBondContact OD1-CA 3.01Å; N428-N455 PolarHBondContact OD1-N 2.77Å; N455-K457 PolarHBondContact O-N 2.81Å; N455-K457 VanDerWaalsContact O-N 3.12Å
456E96.7Very high93.5Very high63 Ų6324.3 Ų24.329%0.29413%0.129SC..THydrogen-bonded Turntrans61.913.7-177.1-54.1168.493.300114.7Y36 L126 R129 N428 I454Y36-E456 PolarHBondContact OH-OE2 3.17Å; L126-E456 WeakPolarHBondContact CD2-OE2 2.89Å; R129-E456 WeakPolarHBondContact CD-OE1 3.48Å; R129-E456 IonicContact CZ-OE1 3.25Å; R129-E456 IonicContact CZ-OE2 2.73Å; R129-E456 IonicContact NE-OE1 3.65Å; R129-E456 PolarHBondContact NE-OE1 3.37Å; R129-E456 IonicContact NE-OE2 3.3Å; R129-E456 PolarHBondContact NE-OE2 3.06Å; R129-E456 IonicContact NH2-OE1 2.63Å; R129-E456 IonicContact NH2-OE2 3.29Å; R129-E456 PolarHBondContact NH2-OE2 2.68Å; N428-E456 PolarHBondContact OD1-N 3.41Å; I454-E456 PolarHBondContact O-N 2.7Å
457K94.2Very high93.2Very high81 Ų8125.8 Ų25.835%0.35214%0.136SC..EExtended strand (participates in β ladder)trans-105.2144.6175.4-54.1-57.9180-176.30111.5L41 S43 L453 I454 N455L41-K457 HydrophobicContact CB-CG 4.47Å; L41-K457 HydrophobicContact CD2-CB 3.97Å; L41-K457 HydrophobicContact CD2-CG 4.18Å; L41-K457 HydrophobicContact CG-CB 4.11Å; L41-K457 HydrophobicContact CG-CG 4.11Å; S43-K457 WeakPolarHBondContact OG-CD 3.36Å; L453-K457 CarbonylContact C-O 3.57Å; L453-K457 WeakPolarHBondContact CA-O 3.49Å; L453-K457 WeakPolarHBondContact CB-O 3.22Å; I454-K457 PolarHBondContact N-O 3.32Å; I454-K457 WeakPolarHBondContact O-CA 3.13Å; I454-K457 WeakPolarHBondContact O-CB 3.21Å; I454-K457 PolarHBondContact O-N 2.98Å; N455-K457 PolarHBondContact O-N 2.81Å; N455-K457 VanDerWaalsContact O-N 3.12Å
458T93.1Very high92.9Very high23 Ų2329.6 Ų29.614%0.14115%0.154CC..EExtended strand (participates in β ladder)trans-70.3142.7170.449.70000110.2S43 Y44 L453S43-T458 VanDerWaalsContact CB-OG1 3.3Å; S43-T458 WeakPolarHBondContact CB-OG1 3.34Å; Y44-T458 PolarHBondContact N-O 2.97Å; Y44-T458 PolarHBondContact N-OG1 3.36Å; Y44-T458 WeakPolarHBondContact O-CB 3.41Å; Y44-T458 PolarHBondContact O-OG1 3.24Å; L453-T458 HydrophobicContact CD2-CG2 3.83Å
459I93Very high92.5Very high3 Ų334.7 Ų34.72%0.01519%0.188CC..  trans-123.4155.8-179.756.574.1000110.9I381 F382 V452 I454 W461I381-I459 HydrophobicContact CD1-CD1 3.65Å; I381-I459 HydrophobicContact CD1-CG1 4.16Å; I381-I459 HydrophobicContact CG1-CD1 3.97Å; I381-I459 HydrophobicContact CG2-CB 4.28Å; I381-I459 HydrophobicContact CG2-CD1 4.1Å; I381-I459 HydrophobicContact CG2-CG1 4.14Å; F382-I459 HydrophobicContact CZ-CG2 4.04Å; V452-I459 HydrophobicContact CB-CD1 4.27Å; V452-I459 HydrophobicContact CG1-CD1 4.43Å; V452-I459 HydrophobicContact CG1-CG1 4.37Å; I454-I459 HydrophobicContact CB-CG2 3.87Å; I454-I459 HydrophobicContact CG1-CG1 4.13Å; I454-I459 HydrophobicContact CG1-CG2 3.67Å; I459-W461 HydrophobicContact CD1-CB 3.63Å; I459-W461 HydrophobicContact CD1-CG 4.29Å; I459-W461 PolarHBondContact O-N 3.13Å
460A92Very high92.3Very high2 Ų233.8 Ų33.82%0.01719%0.187CC..  trans-76.5115.9164.200000107.7Y44 P414 P462 P475Y44-A460 HydrophobicContact CD1-CB 3.71Å; Y44-A460 HydrophobicContact CD2-CB 4.07Å; Y44-A460 HydrophobicContact CE1-CB 3.71Å; Y44-A460 HydrophobicContact CE2-CB 4.09Å; Y44-A460 HydrophobicContact CG-CB 3.89Å; P414-A460 HydrophobicContact CB-CB 4.03Å; A460-P462 WeakPolarHBondContact O-CD 3.47Å; A460-P475 HydrophobicContact CB-CB 4.3Å; A460-P475 HydrophobicContact CB-CG 3.9Å
461W92.8Very high92Very high1 Ų136.2 Ų36.20%0.00420%0.201CC..BIsolated β-bridgetrans-99.8110.6178.3-168.811.3000109.7L379 I381 I450 V452 I459 L463 S464 G476 E477 A480 I485 F489L379-W461 HydrophobicContact CD2-CZ2 3.82Å; L379-W461 PolarHBondContact O-NE1 3Å; I381-W461 HydrophobicContact CG1-CG 4.39Å; I450-W461 HydrophobicContact CG2-CZ3 4.43Å; V452-W461 HydrophobicContact CG2-CD2 4.3Å; V452-W461 HydrophobicContact CG2-CE3 3.89Å; V452-W461 HydrophobicContact CG2-CH2 3.77Å; V452-W461 HydrophobicContact CG2-CZ2 4.24Å; V452-W461 HydrophobicContact CG2-CZ3 3.62Å; I459-W461 HydrophobicContact CD1-CB 3.63Å; I459-W461 HydrophobicContact CD1-CG 4.29Å; I459-W461 PolarHBondContact O-N 3.13Å; W461-L463 HydrophobicContact CD2-CB 4.44Å; W461-L463 HydrophobicContact CG-CB 4.41Å; W461-L463 HydrophobicContact CZ2-CD2 3.77Å; W461-L463 PolarHBondContact O-N 3.19Å; W461-S464 WeakPolarHBondContact CB-OG 3.42Å; W461-S464 PolarHBondContact O-N 3.33Å; W461-S464 PolarHBondContact O-OG 3.32Å; W461-G476 WeakPolarHBondContact O-CA 3.21Å; W461-E477 VanDerWaalsContact CB-O 3.3Å; W461-E477 WeakPolarHBondContact CB-O 3.17Å; W461-E477 PolarHBondContact N-O 2.5Å; W461-E477 PolarHBondContact O-N 3.02Å; W461-A480 HydrophobicContact CE3-CB 4.24Å; W461-A480 HydrophobicContact CZ3-CB 3.95Å; W461-I485 HydrophobicContact CH2-CD1 3.16Å; W461-I485 HydrophobicContact CH2-CG1 3.89Å; W461-I485 HydrophobicContact CZ2-CD1 3.62Å; W461-I485 HydrophobicContact CZ3-CD1 3.79Å; W461-I485 HydrophobicContact CZ3-CG1 4.39Å; W461-F489 HydrophobicContact CZ2-CE2 4.25Å
462P92Very high91.6Very high14 Ų1439.2 Ų39.29%0.09122%0.219CC..G310 helixtrans-60.5-33.3-174.9-28.337.9000113.9G380 V386 A460 S464 S465 Q468 P470 P475G380-P462 WeakPolarHBondContact O-CG 3.26Å; V386-P462 HydrophobicContact CG1-CG 4.36Å; V386-P462 HydrophobicContact CG2-CB 3.98Å; V386-P462 HydrophobicContact CG2-CG 3.55Å; A460-P462 WeakPolarHBondContact O-CD 3.47Å; P462-S464 VanDerWaalsContact C-N 3.26Å; P462-S464 PolarHBondContact O-N 3.31Å; P462-S465 WeakPolarHBondContact O-CB 3.23Å; P462-S465 PolarHBondContact O-N 3.17Å; P462-Q468 PolarHBondContact O-NE2 3.26Å; P462-P470 HydrophobicContact CB-CG 4.03Å; P462-P470 WeakPolarHBondContact O-CG 3.41Å; P462-P475 VanDerWaalsContact CA-O 3.28Å; P462-P475 WeakPolarHBondContact CA-O 3.27Å; P462-P475 WeakPolarHBondContact CG-O 3.48Å
463L88.9Confident91.2Very high26 Ų2645.8 Ų45.814%0.13625%0.254CS..G310 helixtrans-62.5-31.7176.9-179.965.7000113.2W461 S465 I485 Y488 F489W461-L463 HydrophobicContact CD2-CB 4.44Å; W461-L463 HydrophobicContact CG-CB 4.41Å; W461-L463 HydrophobicContact CZ2-CD2 3.77Å; W461-L463 PolarHBondContact O-N 3.19Å; L463-S465 VanDerWaalsContact C-N 3.31Å; L463-I485 HydrophobicContact CD2-CD1 3.48Å; L463-I485 VanDerWaalsContact CD2-CD1 3.48Å; L463-I485 HydrophobicContact CG-CD1 4.41Å; L463-Y488 HydrophobicContact CD1-CD1 3.83Å; L463-Y488 HydrophobicContact CD1-CD2 3.17Å; L463-Y488 HydrophobicContact CD1-CE1 4.13Å; L463-Y488 HydrophobicContact CD1-CE2 3.51Å; L463-Y488 HydrophobicContact CD1-CG 3.33Å; L463-Y488 HydrophobicContact CD2-CD1 3.74Å; L463-Y488 HydrophobicContact CD2-CE1 4.29Å; L463-Y488 HydrophobicContact CD2-CG 3.87Å; L463-Y488 HydrophobicContact CG-CD1 4.44Å; L463-Y488 HydrophobicContact CG-CD2 4.46Å; L463-Y488 HydrophobicContact CG-CG 4.25Å; L463-F489 HydrophobicContact CD2-CE2 3.67Å; L463-F489 HydrophobicContact CD2-CZ 4.11Å
464S89.5Confident90.8Very high12 Ų1249.6 Ų49.68%0.08427%0.271CS..G310 helixtrans-84.7-6.6-177.663.90000113.4W461 P462 S466 E477 N479W461-S464 WeakPolarHBondContact CB-OG 3.42Å; W461-S464 PolarHBondContact O-N 3.33Å; W461-S464 PolarHBondContact O-OG 3.32Å; P462-S464 VanDerWaalsContact C-N 3.26Å; P462-S464 PolarHBondContact O-N 3.31Å; S464-S466 PolarHBondContact O-N 3.15Å; S464-E477 VanDerWaalsContact OG-CA 3.31Å; S464-E477 WeakPolarHBondContact OG-CA 3.35Å; S464-E477 WeakPolarHBondContact OG-CB 3.46Å; S464-E477 PolarHBondContact OG-N 3.4Å; S464-E477 PolarHBondContact OG-O 2.97Å; S464-N479 WeakPolarHBondContact CB-O 3.41Å
465S87.3Confident90.4Very high10 Ų1049.8 Ų49.87%0.0727%0.272CS..  trans-60.7128.9-176.8-176.50000111.6P462 L463 I467 Q468P462-S465 WeakPolarHBondContact O-CB 3.23Å; P462-S465 PolarHBondContact O-N 3.17Å; L463-S465 VanDerWaalsContact C-N 3.31Å; S465-I467 VanDerWaalsContact CB-O 3.31Å; S465-I467 WeakPolarHBondContact CB-O 3.27Å; S465-I467 PolarHBondContact O-N 2.74Å; S465-I467 PolarHBondContact OG-N 2.7Å; S465-I467 PolarHBondContact OG-O 3.11Å; S465-Q468 PolarHBondContact O-NE2 3.48Å
466S84.7Confident90.1Very high99 Ų9949.7 Ų49.769%0.69227%0.273SS*.SBendtrans-64.4-18.4165.648.60000113.6S464 E477S464-S466 PolarHBondContact O-N 3.15Å; S466-E477 WeakPolarHBondContact CB-OE1 3.45Å; S466-E477 PolarHBondContact N-OE1 3.17Å; S466-E477 PolarHBondContact OG-OE1 3.25Å
467I87.2Confident89.9Confident69 Ų6948.1 Ų48.135%0.35427%0.266SS..SBendtrans-101.8119.1173.8-57.1178.1000109S465 P469 P470 T471 H474S465-I467 VanDerWaalsContact CB-O 3.31Å; S465-I467 WeakPolarHBondContact CB-O 3.27Å; S465-I467 PolarHBondContact O-N 2.74Å; S465-I467 PolarHBondContact OG-N 2.7Å; S465-I467 PolarHBondContact OG-O 3.11Å; I467-P469 CarbonylContact O-C 3.5Å; I467-P470 WeakPolarHBondContact O-CA 3.36Å; I467-T471 HydrophobicContact CG2-CG2 4.36Å; I467-H474 HydrophobicContact CD1-CB 3.91Å
468Q88.8Confident89.7Confident119 Ų11944.5 Ų44.556%0.55625%0.25SS*.SBendtrans-124.2123.4178.3-65.9-64.1-30.300110.6P462 S465P462-Q468 PolarHBondContact O-NE2 3.26Å; S465-Q468 PolarHBondContact O-NE2 3.48Å
469P89Confident89.7Confident107 Ų10743.4 Ų43.470%0.69524%0.243SC*.SBendcis-70.2151.9-331.2-35.3000112.1I467I467-P469 CarbonylContact O-C 3.5Å
470P90.8Very high89.7Confident20 Ų2043.3 Ų43.313%0.1324%0.243CC..  trans-63.6148.5177.2-19.833000111.8V386 G387 P462 I467 H474V386-P470 HydrophobicContact CG1-CB 4.09Å; G387-P470 WeakPolarHBondContact CA-O 3.48Å; G387-P470 PolarHBondContact N-O 2.72Å; P462-P470 HydrophobicContact CB-CG 4.03Å; P462-P470 WeakPolarHBondContact O-CG 3.41Å; I467-P470 WeakPolarHBondContact O-CA 3.36Å; P470-H474 WeakPolarHBondContact CB-O 3.47Å
471T89.8Confident89.8Confident52 Ų5243.4 Ų43.432%0.31924%0.244SC..  trans-108.6172.3-177.167.20000111.4I467 D473 H474 P475I467-T471 HydrophobicContact CG2-CG2 4.36Å; T471-D473 VanDerWaalsContact C-N 3.28Å; T471-D473 PolarHBondContact O-N 2.92Å; T471-H474 PolarHBondContact N-O 3.12Å; T471-H474 VanDerWaalsContact N-O 3.09Å; T471-H474 CarbonylContact O-C 3.58Å; T471-H474 PolarHBondContact O-N 3.48Å; T471-H474 PolarHBondContact OG1-N 3.4Å; T471-H474 VanDerWaalsContact OG1-N 3.14Å; T471-P475 WeakPolarHBondContact O-CA 3.48Å
472L86Confident90Very high97 Ų9743.4 Ų43.451%0.50824%0.244SC..SBendtrans-62.3-36.5174.4-74.4173.4000112.5
473D86.5Confident90.2Very high138 Ų13843.7 Ų43.774%0.73825%0.246SC*.SBendtrans-77.4-26.4178.5-60.7-35.3000112.4T471 P475T471-D473 VanDerWaalsContact C-N 3.28Å; T471-D473 PolarHBondContact O-N 2.92Å; D473-P475 VanDerWaalsContact C-CD 3.49Å
474H88.5Confident90.5Very high99 Ų9944.9 Ų44.946%0.45825%0.254SS..SBendtrans-131.270.5179.2-57.779.8000109.4I467 P470 T471 G476I467-H474 HydrophobicContact CD1-CB 3.91Å; P470-H474 WeakPolarHBondContact CB-O 3.47Å; T471-H474 PolarHBondContact N-O 3.12Å; T471-H474 VanDerWaalsContact N-O 3.09Å; T471-H474 CarbonylContact O-C 3.58Å; T471-H474 PolarHBondContact O-N 3.48Å; T471-H474 PolarHBondContact OG1-N 3.4Å; T471-H474 VanDerWaalsContact OG1-N 3.14Å; H474-G476 PolarHBondContact O-N 2.9Å
475P90.5Very high90.8Very high4 Ų444.5 Ų44.53%0.02625%0.251CS..  trans-73.8-14.1-173.327.8-34.1000113.2Y44 V386 P414 T415 A460 P462 T471 D473Y44-P475 HydrophobicContact CE2-CG 4.33Å; V386-P475 HydrophobicContact CG1-CB 3.85Å; P414-P475 HydrophobicContact CG-CB 4.4Å; P414-P475 HydrophobicContact CG-CG 3.73Å; T415-P475 HydrophobicContact CG2-CB 3.58Å; A460-P475 HydrophobicContact CB-CB 4.3Å; A460-P475 HydrophobicContact CB-CG 3.9Å; P462-P475 VanDerWaalsContact CA-O 3.28Å; P462-P475 WeakPolarHBondContact CA-O 3.27Å; P462-P475 WeakPolarHBondContact CG-O 3.48Å; T471-P475 WeakPolarHBondContact O-CA 3.48Å; D473-P475 VanDerWaalsContact C-CD 3.49Å
476G91.1Very high91.3Very high5 Ų545.6 Ų45.65%0.05226%0.256CS..  trans166.1173.5-175.600000112.2W461 H474W461-G476 WeakPolarHBondContact O-CA 3.21Å; H474-G476 PolarHBondContact O-N 2.9Å
477E91.3Very high91.8Very high30 Ų3047.6 Ų47.614%0.1425%0.254CS..BIsolated β-bridgetrans-114.3166.4169.7-67174.5-163.500110W461 S464 S466 N479W461-E477 VanDerWaalsContact CB-O 3.3Å; W461-E477 WeakPolarHBondContact CB-O 3.17Å; W461-E477 PolarHBondContact N-O 2.5Å; W461-E477 PolarHBondContact O-N 3.02Å; S464-E477 VanDerWaalsContact OG-CA 3.31Å; S464-E477 WeakPolarHBondContact OG-CA 3.35Å; S464-E477 WeakPolarHBondContact OG-CB 3.46Å; S464-E477 PolarHBondContact OG-N 3.4Å; S464-E477 PolarHBondContact OG-O 2.97Å; S466-E477 WeakPolarHBondContact CB-OE1 3.45Å; S466-E477 PolarHBondContact N-OE1 3.17Å; S466-E477 PolarHBondContact OG-OE1 3.25Å; E477-N479 VanDerWaalsContact C-N 3.27Å; E477-N479 PolarHBondContact O-N 3.49Å
478T91.1Very high92.1Very high4 Ų450.7 Ų50.73%0.02526%0.262CS..SBendtrans-78.2-8.2-177.358.50000114.3Y44 D46 K451Y44-T478 HydrophobicContact CD1-CG2 4.07Å; D46-T478 HydrophobicContact CB-CG2 4.18Å; D46-T478 WeakPolarHBondContact OD2-CB 3.3Å; D46-T478 WeakPolarHBondContact OD2-CG2 3.18Å; D46-T478 PolarHBondContact OD2-N 3.37Å; D46-T478 PolarHBondContact OD2-OG1 2.88Å; K451-T478 WeakPolarHBondContact CG-O 3.44Å
479N92.4Very high92.4Very high0 Ų045.4 Ų45.40%024%0.238CC..EExtended strand (participates in β ladder)trans-159.1151.7-173.472.898.2000113.2F52 R449 I450 K451 S464 E477F52-N479 HydrophobicContact CE2-CB 4.1Å; F52-N479 VanDerWaalsContact CE2-ND2 3.33Å; F52-N479 WeakPolarHBondContact CE2-ND2 3.27Å; F52-N479 HydrophobicContact CZ-CB 3.65Å; F52-N479 VanDerWaalsContact CZ-CG 3.42Å; R449-N479 VanDerWaalsContact CZ-OD1 3.25Å; R449-N479 PolarHBondContact NE-OD1 3.01Å; R449-N479 PolarHBondContact NH2-O 2.88Å; R449-N479 PolarHBondContact NH2-OD1 3.47Å; I450-N479 CarbonylContact O-C 3.6Å; I450-N479 WeakPolarHBondContact O-CA 3.46Å; I450-N479 WeakPolarHBondContact O-CB 3.39Å; K451-N479 HydrophobicContact CB-CB 4.23Å; S464-N479 WeakPolarHBondContact CB-O 3.41Å; E477-N479 VanDerWaalsContact C-N 3.27Å; E477-N479 PolarHBondContact O-N 3.49Å
480A93.2Very high92.7Very high2 Ų244.6 Ų44.62%0.01723%0.227CC..EExtended strand (participates in β ladder)trans-126.2160.6176.200000111.7R449 I450 W461 I485R449-A480 CarbonylContact C-O 3.56Å; R449-A480 WeakPolarHBondContact CA-O 3.34Å; R449-A480 VanDerWaalsContact CZ-C 3.47Å; I450-A480 PolarHBondContact N-O 3.31Å; I450-A480 PolarHBondContact O-N 3.07Å; W461-A480 HydrophobicContact CE3-CB 4.24Å; W461-A480 HydrophobicContact CZ3-CB 3.95Å; A480-I485 HydrophobicContact CB-CD1 3.62Å; A480-I485 HydrophobicContact CB-CG1 3.97Å
481S94.3Very high92.9Very high4 Ų445.8 Ų45.83%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-71.8150.6171.675.60000111.2D446 F448 R449 T483 T484 I485D446-S481 VanDerWaalsContact OD1-CB 3.23Å; D446-S481 WeakPolarHBondContact OD1-CB 3.06Å; D446-S481 PolarHBondContact OD1-OG 3.48Å; F448-S481 WeakPolarHBondContact O-CA 3.25Å; R449-S481 VanDerWaalsContact CZ-N 3.3Å; R449-S481 VanDerWaalsContact NH1-N 3.19Å; S481-T483 PolarHBondContact O-N 3.46Å; S481-T484 PolarHBondContact O-N 3.2Å; S481-T484 VanDerWaalsContact O-N 3.17Å; S481-T484 PolarHBondContact OG-N 2.91Å; S481-T484 PolarHBondContact OG-OG1 2.83Å; S481-T484 VanDerWaalsContact OG-OG1 3.13Å; S481-I485 WeakPolarHBondContact O-CG1 3.31Å; S481-I485 PolarHBondContact O-N 2.61Å; S481-I485 VanDerWaalsContact O-N 3.09Å
482L97Very high93.2Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-58.5-35.2175.8177.658.1000111.4I340 A344 L445 F448 I450 I485 L486I340-L482 HydrophobicContact CG2-CD1 4.07Å; A344-L482 HydrophobicContact CB-CD2 3.51Å; L445-L482 HydrophobicContact CD2-CD2 3.99Å; F448-L482 HydrophobicContact CB-CB 3.94Å; F448-L482 HydrophobicContact CB-CD2 4.11Å; F448-L482 PolarHBondContact O-N 2.97Å; I450-L482 HydrophobicContact CD1-CD1 3.84Å; L482-I485 PolarHBondContact O-N 3.16Å; L482-L486 HydrophobicContact CD1-CD1 4.11Å; L482-L486 HydrophobicContact CD1-CG 4.02Å; L482-L486 HydrophobicContact CG-CD1 3.91Å; L482-L486 HydrophobicContact CG-CG 4.32Å; L482-L486 WeakPolarHBondContact O-CB 3.27Å; L482-L486 VanDerWaalsContact O-CG 3.24Å; L482-L486 WeakPolarHBondContact O-CG 3.38Å; L482-L486 PolarHBondContact O-N 2.93Å
483T96.4Very high93.6Very high21 Ų2140.1 Ų40.113%0.12921%0.212CC..Hα-helixtrans-59.2-50.5173.9-47.90000112.1N443 D446 S481 I485 L486 Q487N443-T483 PolarHBondContact ND2-OG1 3.04Å; D446-T483 VanDerWaalsContact CG-OG1 3.24Å; D446-T483 WeakPolarHBondContact OD1-CB 3.44Å; D446-T483 PolarHBondContact OD1-OG1 3.18Å; D446-T483 PolarHBondContact OD2-OG1 3.4Å; S481-T483 PolarHBondContact O-N 3.46Å; T483-I485 VanDerWaalsContact C-N 3.27Å; T483-I485 PolarHBondContact O-N 2.93Å; T483-L486 PolarHBondContact O-N 3.2Å; T483-Q487 WeakPolarHBondContact O-CG 3.4Å; T483-Q487 PolarHBondContact O-N 3.03Å
484T94.5Very high93.8Very high51 Ų5136.8 Ų36.831%0.31320%0.198SC..Hα-helixtrans-58.2-42.4177.8-600000111.1S481 Q487 Y488S481-T484 PolarHBondContact O-N 3.2Å; S481-T484 VanDerWaalsContact O-N 3.17Å; S481-T484 PolarHBondContact OG-N 2.91Å; S481-T484 PolarHBondContact OG-OG1 2.83Å; S481-T484 VanDerWaalsContact OG-OG1 3.13Å; T484-Q487 PolarHBondContact O-N 3.16Å; T484-Y488 WeakPolarHBondContact O-CB 3.11Å; T484-Y488 PolarHBondContact O-N 3.46Å
485I96.4Very high93.9Very high4 Ų439.4 Ų39.42%0.02122%0.215CC..Hα-helixtrans-65.1-45.3178.6-63.8-42.8000111.8I337 I450 W461 L463 A480 S481 L482 T483 Q487 Y488 F489I337-I485 HydrophobicContact CD1-CG2 4Å; I337-I485 HydrophobicContact CG1-CG2 4.16Å; I337-I485 HydrophobicContact CG2-CG2 4.31Å; I450-I485 HydrophobicContact CD1-CB 4Å; I450-I485 HydrophobicContact CD1-CG1 3.85Å; I450-I485 HydrophobicContact CD1-CG2 3.88Å; W461-I485 HydrophobicContact CH2-CD1 3.16Å; W461-I485 HydrophobicContact CH2-CG1 3.89Å; W461-I485 HydrophobicContact CZ2-CD1 3.62Å; W461-I485 HydrophobicContact CZ3-CD1 3.79Å; W461-I485 HydrophobicContact CZ3-CG1 4.39Å; L463-I485 HydrophobicContact CD2-CD1 3.48Å; L463-I485 VanDerWaalsContact CD2-CD1 3.48Å; L463-I485 HydrophobicContact CG-CD1 4.41Å; A480-I485 HydrophobicContact CB-CD1 3.62Å; A480-I485 HydrophobicContact CB-CG1 3.97Å; S481-I485 WeakPolarHBondContact O-CG1 3.31Å; S481-I485 PolarHBondContact O-N 2.61Å; S481-I485 VanDerWaalsContact O-N 3.09Å; L482-I485 PolarHBondContact O-N 3.16Å; T483-I485 VanDerWaalsContact C-N 3.27Å; T483-I485 PolarHBondContact O-N 2.93Å; I485-Q487 VanDerWaalsContact C-N 3.33Å; I485-Q487 PolarHBondContact O-N 3.31Å; I485-Y488 PolarHBondContact O-N 3.22Å; I485-F489 HydrophobicContact CD1-CE2 4.37Å; I485-F489 HydrophobicContact CG2-CD2 3.84Å; I485-F489 HydrophobicContact CG2-CE2 4.35Å; I485-F489 WeakPolarHBondContact O-CB 3.22Å; I485-F489 WeakPolarHBondContact O-CD2 3.47Å; I485-F489 PolarHBondContact O-N 3.4Å
486L96.9Very high94Very high33 Ų3343.2 Ų43.217%0.17324%0.235CC..Hα-helixtrans-62.8-40.4177.2-71.6167.6000112I337 Y341 L445 L482 T483 N490 M493I337-L486 HydrophobicContact CG2-CD2 3.8Å; Y341-L486 HydrophobicContact CD2-CD1 3.73Å; Y341-L486 HydrophobicContact CD2-CD2 4.29Å; Y341-L486 HydrophobicContact CE2-CD1 4.17Å; Y341-L486 HydrophobicContact CG-CD2 4.48Å; L445-L486 HydrophobicContact CD1-CD1 4.19Å; L482-L486 HydrophobicContact CD1-CD1 4.11Å; L482-L486 HydrophobicContact CD1-CG 4.02Å; L482-L486 HydrophobicContact CG-CD1 3.91Å; L482-L486 HydrophobicContact CG-CG 4.32Å; L482-L486 WeakPolarHBondContact O-CB 3.27Å; L482-L486 VanDerWaalsContact O-CG 3.24Å; L482-L486 WeakPolarHBondContact O-CG 3.38Å; L482-L486 PolarHBondContact O-N 2.93Å; T483-L486 PolarHBondContact O-N 3.2Å; L486-N490 WeakPolarHBondContact O-CA 3.34Å; L486-N490 WeakPolarHBondContact O-CB 3.47Å; L486-N490 PolarHBondContact O-N 3.37Å; L486-M493 HydrophobicContact CD2-CE 4.25Å; L486-M493 HydrophobicContact CD2-SD 4.49Å
487Q95.1Very high94Very high140 Ų14044.5 Ų44.565%0.65424%0.239SC*.Hα-helixtrans-64.2-48.5177.1-74174-7.600111.5T483 T484 I485 N490T483-Q487 WeakPolarHBondContact O-CG 3.4Å; T483-Q487 PolarHBondContact O-N 3.03Å; T484-Q487 PolarHBondContact O-N 3.16Å; I485-Q487 VanDerWaalsContact C-N 3.33Å; I485-Q487 PolarHBondContact O-N 3.31Å; Q487-N490 WeakPolarHBondContact O-CB 3.4Å
488Y94.2Very high93.9Very high135 Ų13547 Ų4753%0.52925%0.253SS..Hα-helixtrans-68.4-42.3-176.6-170.5-95.6000112.6L463 T484 I485L463-Y488 HydrophobicContact CD1-CD1 3.83Å; L463-Y488 HydrophobicContact CD1-CD2 3.17Å; L463-Y488 HydrophobicContact CD1-CE1 4.13Å; L463-Y488 HydrophobicContact CD1-CE2 3.51Å; L463-Y488 HydrophobicContact CD1-CG 3.33Å; L463-Y488 HydrophobicContact CD2-CD1 3.74Å; L463-Y488 HydrophobicContact CD2-CE1 4.29Å; L463-Y488 HydrophobicContact CD2-CG 3.87Å; L463-Y488 HydrophobicContact CG-CD1 4.44Å; L463-Y488 HydrophobicContact CG-CD2 4.46Å; L463-Y488 HydrophobicContact CG-CG 4.25Å; T484-Y488 WeakPolarHBondContact O-CB 3.11Å; T484-Y488 PolarHBondContact O-N 3.46Å; I485-Y488 PolarHBondContact O-N 3.22Å
489F96Very high93.8Very high8 Ų847.8 Ų47.84%0.03526%0.257CS..THydrogen-bonded Turntrans-95.815.6-178.6-63.9-68.3000113.9L333 I337 A378 L379 W461 L463 I485 G491 C492 M493L333-F489 HydrophobicContact CD2-CD1 3.54Å; L333-F489 HydrophobicContact CD2-CE1 3.5Å; L333-F489 HydrophobicContact CD2-CG 4.29Å; L333-F489 HydrophobicContact CD2-CZ 4.2Å; L333-F489 HydrophobicContact CG-CD1 4.37Å; I337-F489 HydrophobicContact CD1-CB 3.4Å; I337-F489 HydrophobicContact CD1-CD1 4.46Å; I337-F489 HydrophobicContact CD1-CD2 3.55Å; I337-F489 HydrophobicContact CD1-CE2 4.47Å; I337-F489 HydrophobicContact CD1-CG 3.54Å; A378-F489 WeakPolarHBondContact O-CE1 3.28Å; L379-F489 HydrophobicContact CD2-CE2 4.14Å; L379-F489 HydrophobicContact CD2-CZ 3.79Å; W461-F489 HydrophobicContact CZ2-CE2 4.25Å; L463-F489 HydrophobicContact CD2-CE2 3.67Å; L463-F489 HydrophobicContact CD2-CZ 4.11Å; I485-F489 HydrophobicContact CD1-CE2 4.37Å; I485-F489 HydrophobicContact CG2-CD2 3.84Å; I485-F489 HydrophobicContact CG2-CE2 4.35Å; I485-F489 WeakPolarHBondContact O-CB 3.22Å; I485-F489 WeakPolarHBondContact O-CD2 3.47Å; I485-F489 PolarHBondContact O-N 3.4Å; F489-G491 PolarHBondContact O-N 3.29Å; F489-G491 VanDerWaalsContact O-N 3.1Å; F489-C492 PolarHBondContact O-N 3.02Å; F489-M493 PolarHBondContact O-N 3.32Å
490N95.7Very high93.6Very high89 Ų8952.6 Ų52.648%0.47628%0.283SS..G310 helixtrans-52.6-36.9179.4-175.855.8000112.1L486 Q487 C492 M493 N496L486-N490 WeakPolarHBondContact O-CA 3.34Å; L486-N490 WeakPolarHBondContact O-CB 3.47Å; L486-N490 PolarHBondContact O-N 3.37Å; Q487-N490 WeakPolarHBondContact O-CB 3.4Å; N490-C492 VanDerWaalsContact C-N 3.33Å; N490-C492 PolarHBondContact O-N 3.31Å; N490-M493 WeakPolarHBondContact O-CB 3.48Å; N490-M493 PolarHBondContact O-N 3.34Å; N490-N496 VanDerWaalsContact CG-ND2 3.34Å; N490-N496 PolarHBondContact ND2-ND2 3.19Å; N490-N496 VanDerWaalsContact O-CB 3.26Å; N490-N496 WeakPolarHBondContact O-CB 3.28Å; N490-N496 PolarHBondContact O-ND2 3.31Å; N490-N496 PolarHBondContact OD1-ND2 2.92Å
491G93.4Very high93.4Very high45 Ų4560.4 Ų60.446%0.46432%0.316SS..G310 helixtrans-69.5-22.5177.100000115.1F489 Y497F489-G491 PolarHBondContact O-N 3.29Å; F489-G491 VanDerWaalsContact O-N 3.1Å; G491-Y497 WeakPolarHBondContact O-CA 3.49Å; G491-Y497 WeakPolarHBondContact O-CB 3.4Å
492C96Very high93.3Very high13 Ų1360.8 Ų60.89%0.08832%0.319CS..G310 helixtrans-87.1-10.7174.6-66.80000112.8C330 G334 F489 N490C330-C492 VanDerWaalsContact CA-SG 3.58Å; C330-C492 HydrophobicContact CB-CB 3.53Å; C330-C492 WeakPolarHBondContact CB-SG 3.44Å; C330-C492 WeakPolarHBondContact SG-CB 3.2Å; C330-C492 CovalentContact SG-SG 2.06Å; C330-C492 PolarHBondContact SG-SG 2.96Å; G334-C492 WeakPolarHBondContact CA-O 3.49Å; F489-C492 PolarHBondContact O-N 3.02Å; N490-C492 VanDerWaalsContact C-N 3.33Å; N490-C492 PolarHBondContact O-N 3.31Å
493M95.9Very high92.9Very high18 Ų1860.9 Ų60.99%0.08932%0.319CS..SBendtrans-62.4145.1-177.6-63.7-60.6-70.800111I337 Q338 L486 F489 N490 N495 N496 Y497I337-M493 HydrophobicContact CB-SD 4.2Å; I337-M493 HydrophobicContact CG2-CE 4.4Å; I337-M493 HydrophobicContact CG2-SD 3.76Å; Q338-M493 HydrophobicContact CB-CE 4.22Å; Q338-M493 VanDerWaalsContact OE1-CE 3.23Å; L486-M493 HydrophobicContact CD2-CE 4.25Å; L486-M493 HydrophobicContact CD2-SD 4.49Å; F489-M493 PolarHBondContact O-N 3.32Å; N490-M493 WeakPolarHBondContact O-CB 3.48Å; N490-M493 PolarHBondContact O-N 3.34Å; M493-N495 PolarHBondContact O-N 3.46Å; M493-N496 PolarHBondContact O-N 2.94Å; M493-Y497 PolarHBondContact O-N 3.11Å
494P90.6Very high92.3Very high67 Ų6762.2 Ų62.244%0.43533%0.33SS..THydrogen-bonded Turntrans-52.5-32.3-171.8-30.735.8000116
495N90.1Very high90.9Very high154 Ų15462.2 Ų62.282%0.82433%0.327SS*.THydrogen-bonded Turntrans-84.5-12.7179.9-65.5-24000114.1M493M493-N495 PolarHBondContact O-N 3.46Å
496N92.6Very high88.7Confident84 Ų8469.5 Ų69.545%0.44936%0.361SS..THydrogen-bonded Turntrans-112.2-22.7-172.8-64.5-12.2000112.8N490 M493N490-N496 VanDerWaalsContact CG-ND2 3.34Å; N490-N496 PolarHBondContact ND2-ND2 3.19Å; N490-N496 VanDerWaalsContact O-CB 3.26Å; N490-N496 WeakPolarHBondContact O-CB 3.28Å; N490-N496 PolarHBondContact O-ND2 3.31Å; N490-N496 PolarHBondContact OD1-ND2 2.92Å; M493-N496 PolarHBondContact O-N 2.94Å
497Y90.9Very high85.8Confident32 Ų3277.5 Ų77.513%0.12539%0.394CS..  trans-81.8119.6-177-174.7-103.6000112.4E327 C330 P331 G491 M493 N499 V502E327-Y497 HydrophobicContact CG-CE2 4.45Å; E327-Y497 PolarHBondContact O-OH 2.69Å; C330-Y497 HydrophobicContact CB-CD2 3.47Å; C330-Y497 VanDerWaalsContact CB-CD2 3.47Å; C330-Y497 HydrophobicContact CB-CE1 4.39Å; C330-Y497 HydrophobicContact CB-CE2 3.32Å; C330-Y497 HydrophobicContact CB-CG 4.09Å; P331-Y497 HydrophobicContact CG-CD1 3.78Å; P331-Y497 HydrophobicContact CG-CE1 3.43Å; P331-Y497 VanDerWaalsContact CG-CE1 3.43Å; G491-Y497 WeakPolarHBondContact O-CA 3.49Å; G491-Y497 WeakPolarHBondContact O-CB 3.4Å; M493-Y497 PolarHBondContact O-N 3.11Å; Y497-N499 HydrophobicContact CD1-CB 3.86Å; Y497-N499 VanDerWaalsContact CE1-CA 3.42Å; Y497-N499 HydrophobicContact CE1-CB 3.52Å; Y497-N499 PolarHBondContact O-N 3.29Å; Y497-V502 HydrophobicContact CE2-CG2 3.89Å; Y497-V502 WeakPolarHBondContact OH-CB 3.41Å; Y497-V502 WeakPolarHBondContact OH-CG1 3.34Å
498D90.3Very high83.2Confident84 Ų8477.3 Ų77.345%0.44940%0.403SS..  trans-93.489.5172.8-174.1-10000111.1N500 K501 V502D498-N500 PolarHBondContact O-N 3.26Å; D498-N500 WeakPolarHBondContact OD1-CB 3.46Å; D498-N500 PolarHBondContact OD1-N 3.46Å; D498-K501 HydrophobicContact CB-CB 3.92Å; D498-K501 VanDerWaalsContact CG-CB 3.42Å; D498-K501 PolarHBondContact O-N 3.37Å; D498-K501 PolarHBondContact OD1-N 3.09Å; D498-K501 WeakPolarHBondContact OD2-CB 3.45Å; D498-V502 PolarHBondContact O-N 2.9Å
499N87.9Confident80.1Confident20 Ų2082.3 Ų82.311%0.10744%0.438CS..Hα-helixtrans-64.4-28.2179.1-159.88000113.1Y214 Y497 C503 L505Y214-N499 VanDerWaalsContact CE2-ND2 3.27Å; Y214-N499 WeakPolarHBondContact CE2-ND2 3.41Å; Y214-N499 PolarHBondContact OH-ND2 3.04Å; Y497-N499 HydrophobicContact CD1-CB 3.86Å; Y497-N499 VanDerWaalsContact CE1-CA 3.42Å; Y497-N499 HydrophobicContact CE1-CB 3.52Å; Y497-N499 PolarHBondContact O-N 3.29Å; N499-C503 WeakPolarHBondContact O-CB 3.43Å; N499-C503 PolarHBondContact O-N 3.38Å; N499-L505 HydrophobicContact CB-CD1 4.3Å; N499-L505 WeakPolarHBondContact ND2-CD1 3.43Å
500N88Confident79.4Confident101 Ų10186 Ų8654%0.5446%0.458SS..Hα-helixtrans-70.6-37.9177.8-71.6-35.7000111.1D498 S504D498-N500 PolarHBondContact O-N 3.26Å; D498-N500 WeakPolarHBondContact OD1-CB 3.46Å; D498-N500 PolarHBondContact OD1-N 3.46Å; N500-S504 WeakPolarHBondContact O-CA 3.15Å; N500-S504 PolarHBondContact O-N 3.01Å
501K90.1Very high78.5Confident165 Ų16585.8 Ų85.872%0.71746%0.457SS*.Hα-helixtrans-63.4-46.5173.6-179.9-176176.9-169.80111.9D498D498-K501 HydrophobicContact CB-CB 3.92Å; D498-K501 VanDerWaalsContact CG-CB 3.42Å; D498-K501 PolarHBondContact O-N 3.37Å; D498-K501 PolarHBondContact OD1-N 3.09Å; D498-K501 WeakPolarHBondContact OD2-CB 3.45Å
502V90.8Very high77.7Confident13 Ų1388.1 Ų88.18%0.07946%0.456CS..Hα-helixtrans-74.6-48.9-176.5-179.80000111.7N224 L324 E327 Y497 D498N224-V502 WeakPolarHBondContact CB-O 3.38Å; N224-V502 PolarHBondContact ND2-O 3.38Å; L324-V502 HydrophobicContact CD1-CG1 3.72Å; E327-V502 HydrophobicContact CB-CG1 4.35Å; E327-V502 HydrophobicContact CG-CG1 3.92Å; E327-V502 HydrophobicContact CG-CG2 4.12Å; E327-V502 VanDerWaalsContact OE1-CG2 3.24Å; E327-V502 WeakPolarHBondContact OE1-CG2 3.42Å; Y497-V502 HydrophobicContact CE2-CG2 3.89Å; Y497-V502 WeakPolarHBondContact OH-CB 3.41Å; Y497-V502 WeakPolarHBondContact OH-CG1 3.34Å; D498-V502 PolarHBondContact O-N 2.9Å
503C89.2Confident76.6Confident2 Ų292.5 Ų92.51%0.01448%0.478CS..Hα-helixtrans-105.3-14.4-169.1-80.60000115.3C222 K223 N224 N499 L505C222-C503 HydrophobicContact CB-CB 3.78Å; C222-C503 WeakPolarHBondContact CB-SG 3.45Å; C222-C503 WeakPolarHBondContact SG-CA 3.43Å; C222-C503 WeakPolarHBondContact SG-CB 3.23Å; C222-C503 CovalentContact SG-SG 2.05Å; C222-C503 PolarHBondContact SG-SG 2.9Å; K223-C503 WeakPolarHBondContact CB-O 3.25Å; K223-C503 PolarHBondContact N-O 2.98Å; N224-C503 PolarHBondContact N-O 2.79Å; N499-C503 WeakPolarHBondContact O-CB 3.43Å; N499-C503 PolarHBondContact O-N 3.38Å; C503-L505 VanDerWaalsContact C-N 3.34Å; C503-L505 HydrophobicContact CB-CD2 4.1Å; C503-L505 HydrophobicContact CB-CG 4.32Å; C503-L505 PolarHBondContact O-N 3.05Å
504S83.6Confident75.4Confident49 Ų4997.2 Ų97.234%0.34350%0.502SS..  trans50.452.7-175.4-58.10000112.2N224 N500N224-S504 PolarHBondContact ND2-OG 3.15Å; N224-S504 VanDerWaalsContact ND2-OG 3.12Å; N500-S504 WeakPolarHBondContact O-CA 3.15Å; N500-S504 PolarHBondContact O-N 3.01Å
505L66Low74.4Confident50 Ų5099.2 Ų99.226%0.26251%0.507SS..  trans-55.7147.7-179.7-62.9177.5000111.4D221 N499 C503 K507D221-L505 HydrophobicContact CB-CD2 4.37Å; N499-L505 HydrophobicContact CB-CD1 4.3Å; N499-L505 WeakPolarHBondContact ND2-CD1 3.43Å; C503-L505 VanDerWaalsContact C-N 3.34Å; C503-L505 HydrophobicContact CB-CD2 4.1Å; C503-L505 HydrophobicContact CB-CG 4.32Å; C503-L505 PolarHBondContact O-N 3.05Å; L505-K507 PolarHBondContact O-N 3.29Å
506H48.9Very low73.2Confident157 Ų15795.3 Ų95.373%0.72748%0.484SS*.  trans-60.1131.1162.7-79.7-80.4000107.9T508H506-T508 VanDerWaalsContact C-N 3.26Å; H506-T508 PolarHBondContact O-N 3.16Å
507K36.4Very low71.7Confident201 Ų20196.2 Ų96.287%0.87449%0.487SS*.  trans-57101.2157.2-78.8-176.8175.8-178.70105.9L505 L509L505-K507 PolarHBondContact O-N 3.29Å; K507-L509 PolarHBondContact O-N 2.91Å; K507-L509 VanDerWaalsContact O-N 3.13Å
508T40.2Very low70.2Confident137 Ų137101.5 Ų101.584%0.8452%0.517SS*.  trans-60.5112.4158.822.90000105.6H506H506-T508 VanDerWaalsContact C-N 3.26Å; H506-T508 PolarHBondContact O-N 3.16Å
509L30.5Very low68.3Low239 Ų239103.1 Ų103.1100%1.25152%0.523SS*.  trans-61.20173.6-86.6159.7000110.7K507K507-L509 PolarHBondContact O-N 2.91Å; K507-L509 VanDerWaalsContact O-N 3.13Å

Retrieved 509 of 509 residues in 243.9 ms (Link to these results)

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