A0A077Z7H6_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7H6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M57.1Low78.2Confident219 Ų219110.2 Ų110.2100%1.07962%0.624SS**  0-380-69.4178.6-164.200113.7K3 S4M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.46Å; M1-S4 PolarHBondContact O-N 2.98Å
2A65.4Low79.1Confident79 Ų79109.8 Ų109.865%0.65362%0.618SS**Hα-helixtrans-60.4-26.1-175.900000117.2T5 A6A2-T5 PolarHBondContact O-OG1 3.5Å; A2-A6 PolarHBondContact O-N 3.01Å
3K65.7Low79.9Confident195 Ų195108.1 Ų108.185%0.84861%0.611SS**Hα-helixtrans-73.1-27.5177.5-71.1-174177.8-178.20113.4M1 L7M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.46Å; K3-L7 PolarHBondContact O-N 3.36Å
4S78.6Confident80.6Confident81 Ų81104.3 Ų104.357%0.56659%0.591SS**Hα-helixtrans-76.1-40.5179.5-168.70000111.1M1 A6 L7 V8M1-S4 PolarHBondContact O-N 2.98Å; S4-A6 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 2.97Å; S4-L7 PolarHBondContact O-N 3.38Å; S4-V8 WeakPolarHBondContact O-CG2 3.44Å; S4-V8 PolarHBondContact O-N 3.17Å
5T80.4Confident81.1Confident94 Ų94101.9 Ų101.958%0.57758%0.58SS**Hα-helixtrans-63.6-37.6177.646.30000112.5A2 A9A2-T5 PolarHBondContact O-OG1 3.5Å; T5-A9 WeakPolarHBondContact O-CB 3.27Å; T5-A9 PolarHBondContact O-N 3.03Å
6A81Confident81.5Confident63 Ų6399.9 Ų99.952%0.52157%0.57SS.*Hα-helixtrans-65.6-40.4176.100000112.8A2 S4 A9 F10A2-A6 PolarHBondContact O-N 3.01Å; S4-A6 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 2.97Å; A6-A9 PolarHBondContact O-N 2.83Å; A6-F10 WeakPolarHBondContact O-CB 3.48Å; A6-F10 PolarHBondContact O-N 3.38Å
7L84.6Confident81.7Confident115 Ų11598.2 Ų98.260%0.60256%0.562SS**Hα-helixtrans-67.2-42.1178.3-157.490.3000111.4K3 S4 F10 L11K3-L7 PolarHBondContact O-N 3.36Å; S4-L7 PolarHBondContact O-N 3.38Å; L7-F10 PolarHBondContact O-N 2.81Å; L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.48Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 3.49Å
8V85.7Confident81.9Confident77 Ų7797.7 Ų97.747%0.46756%0.557SS.*Hα-helixtrans-64.2-43.1176.4174.40000110.8S4 F10 L11 L12S4-V8 WeakPolarHBondContact O-CG2 3.44Å; S4-V8 PolarHBondContact O-N 3.17Å; V8-F10 PolarHBondContact O-N 3.22Å; V8-L11 PolarHBondContact O-N 3.06Å; V8-L12 HydrophobicContact CG1-CD1 4.03Å; V8-L12 WeakPolarHBondContact O-CG 3.41Å; V8-L12 PolarHBondContact O-N 2.84Å
9A85.7Confident82.1Confident52 Ų5298.4 Ų98.443%0.4356%0.558SS.*Hα-helixtrans-61.8-43.1175.800000112.1T5 A6 L12 V13T5-A9 WeakPolarHBondContact O-CB 3.27Å; T5-A9 PolarHBondContact O-N 3.03Å; A6-A9 PolarHBondContact O-N 2.83Å; A9-L12 PolarHBondContact O-N 2.78Å; A9-V13 WeakPolarHBondContact O-CG2 3.32Å; A9-V13 PolarHBondContact O-N 2.93Å
10F87.4Confident82Confident139 Ų13998.1 Ų98.161%0.6155%0.554SS**Hα-helixtrans-62.1-44.8177.2-176.1-99.4000112.2A6 L7 V8 L12 V13 V14A6-F10 WeakPolarHBondContact O-CB 3.48Å; A6-F10 PolarHBondContact O-N 3.38Å; L7-F10 PolarHBondContact O-N 2.81Å; V8-F10 PolarHBondContact O-N 3.22Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.79Å; F10-V13 PolarHBondContact O-N 3.38Å; F10-V14 HydrophobicContact CD1-CG2 4.19Å; F10-V14 HydrophobicContact CE1-CG2 3.79Å; F10-V14 HydrophobicContact CE2-CG2 4.42Å; F10-V14 HydrophobicContact CZ-CG2 3.92Å; F10-V14 WeakPolarHBondContact O-CG2 3.41Å; F10-V14 PolarHBondContact O-N 3.49Å
11L88.9Confident81.8Confident98 Ų9899.3 Ų99.351%0.51356%0.555SS.*Hα-helixtrans-63.8-36.9177.6-72.9166.2000112.4L7 V8 V14 T15L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.48Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 3.49Å; V8-L11 PolarHBondContact O-N 3.06Å; L11-V14 PolarHBondContact O-N 3.09Å; L11-T15 WeakPolarHBondContact O-CB 3.27Å; L11-T15 WeakPolarHBondContact O-CG2 3.44Å; L11-T15 PolarHBondContact O-N 3.29Å; L11-T15 PolarHBondContact O-OG1 3.46Å
12L88.7Confident82.7Confident106 Ų10695.4 Ų95.456%0.55553%0.532SS*.Hα-helixtrans-65.9-39.7174.9-74.5167.7000112V8 A9 F10 T15 T16V8-L12 HydrophobicContact CG1-CD1 4.03Å; V8-L12 WeakPolarHBondContact O-CG 3.41Å; V8-L12 PolarHBondContact O-N 2.84Å; A9-L12 PolarHBondContact O-N 2.78Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.79Å; L12-T15 WeakPolarHBondContact CA-OG1 3.38Å; L12-T15 PolarHBondContact O-OG1 3.37Å; L12-T16 WeakPolarHBondContact O-CB 3.36Å; L12-T16 WeakPolarHBondContact O-CG2 3.27Å; L12-T16 PolarHBondContact O-N 2.74Å; L12-T16 PolarHBondContact O-OG1 3.39Å
13V89.8Confident83Confident87 Ų8798.8 Ų98.853%0.52753%0.532SS..Hα-helixtrans-66.3-44.8175.8174.40000110.8A9 F10 T15 T16 T17A9-V13 WeakPolarHBondContact O-CG2 3.32Å; A9-V13 PolarHBondContact O-N 2.93Å; F10-V13 PolarHBondContact O-N 3.38Å; V13-T15 PolarHBondContact O-N 2.67Å; V13-T16 WeakPolarHBondContact CA-OG1 3.15Å; V13-T16 PolarHBondContact O-N 2.85Å; V13-T16 PolarHBondContact O-OG1 3.16Å; V13-T17 WeakPolarHBondContact O-CB 3.35Å; V13-T17 PolarHBondContact O-N 3.42Å; V13-T17 PolarHBondContact O-OG1 3.4Å
14V90Very high83Confident55 Ų5595.5 Ų95.533%0.33352%0.518SS..Hα-helixtrans-63.5-45179.61740000111.3F10 L11 T17 I18F10-V14 HydrophobicContact CD1-CG2 4.19Å; F10-V14 HydrophobicContact CE1-CG2 3.79Å; F10-V14 HydrophobicContact CE2-CG2 4.42Å; F10-V14 HydrophobicContact CZ-CG2 3.92Å; F10-V14 WeakPolarHBondContact O-CG2 3.41Å; F10-V14 PolarHBondContact O-N 3.49Å; L11-V14 PolarHBondContact O-N 3.09Å; V14-T17 PolarHBondContact O-N 3.5Å; V14-I18 HydrophobicContact CG1-CD1 3.8Å; V14-I18 HydrophobicContact CG1-CG1 4.5Å; V14-I18 VanDerWaalsContact O-CG1 3.28Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.99Å
15T87.1Confident82.4Confident69 Ų6996.8 Ų96.842%0.42352%0.518SS..Hα-helixtrans-65.6-41.617947.80000112.6L11 L12 V13 I18 L19L11-T15 WeakPolarHBondContact O-CB 3.27Å; L11-T15 WeakPolarHBondContact O-CG2 3.44Å; L11-T15 PolarHBondContact O-N 3.29Å; L11-T15 PolarHBondContact O-OG1 3.46Å; L12-T15 WeakPolarHBondContact CA-OG1 3.38Å; L12-T15 PolarHBondContact O-OG1 3.37Å; V13-T15 PolarHBondContact O-N 2.67Å; T15-I18 PolarHBondContact O-N 2.89Å; T15-L19 WeakPolarHBondContact O-CB 3.28Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.41Å; T15-L19 PolarHBondContact O-N 3Å
16T87.5Confident81.4Confident69 Ų6997.4 Ų97.442%0.42352%0.518SS..Hα-helixtrans-64.5-40.1174.147.20000112.2L12 V13 I18 L19 I20L12-T16 WeakPolarHBondContact O-CB 3.36Å; L12-T16 WeakPolarHBondContact O-CG2 3.27Å; L12-T16 PolarHBondContact O-N 2.74Å; L12-T16 PolarHBondContact O-OG1 3.39Å; V13-T16 WeakPolarHBondContact CA-OG1 3.15Å; V13-T16 PolarHBondContact O-N 2.85Å; V13-T16 PolarHBondContact O-OG1 3.16Å; T16-I18 PolarHBondContact O-N 3.35Å; T16-L19 PolarHBondContact O-N 3.4Å; T16-I20 WeakPolarHBondContact O-CB 3.36Å; T16-I20 WeakPolarHBondContact O-CD1 3.22Å; T16-I20 WeakPolarHBondContact O-CG1 3.08Å; T16-I20 PolarHBondContact O-N 3.49Å
17T85.1Confident80Confident71 Ų71101.7 Ų101.744%0.43653%0.527SS..Hα-helixtrans-65-41.5177.6-41.20000111.6V13 V14 I20 H21V13-T17 WeakPolarHBondContact O-CB 3.35Å; V13-T17 PolarHBondContact O-N 3.42Å; V13-T17 PolarHBondContact O-OG1 3.4Å; V14-T17 PolarHBondContact O-N 3.5Å; T17-I20 PolarHBondContact O-N 2.86Å; T17-H21 WeakPolarHBondContact O-CB 3.3Å; T17-H21 PolarHBondContact O-N 3.13Å
18I86.2Confident78.1Confident89 Ų89102.4 Ų102.446%0.45653%0.531SS..Hα-helixtrans-64.3-44.8175.5-68.8168.3000110.4V14 T15 T16 I20 H21 F22V14-I18 HydrophobicContact CG1-CD1 3.8Å; V14-I18 HydrophobicContact CG1-CG1 4.5Å; V14-I18 VanDerWaalsContact O-CG1 3.28Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.99Å; T15-I18 PolarHBondContact O-N 2.89Å; T16-I18 PolarHBondContact O-N 3.35Å; I18-I20 PolarHBondContact O-N 3.38Å; I18-H21 PolarHBondContact O-N 3.41Å; I18-F22 HydrophobicContact CG2-CD2 3.72Å; I18-F22 HydrophobicContact CG2-CE2 3.96Å; I18-F22 WeakPolarHBondContact O-CB 3.06Å; I18-F22 WeakPolarHBondContact O-CD2 3.22Å; I18-F22 PolarHBondContact O-N 3.35Å
19L84.5Confident75.8Confident112 Ų112103.6 Ų103.659%0.58653%0.534SS*.Hα-helixtrans-63.1-40.9178.2-76.3167.6000112T15 T16 F22 F23T15-L19 WeakPolarHBondContact O-CB 3.28Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.41Å; T15-L19 PolarHBondContact O-N 3Å; T16-L19 PolarHBondContact O-N 3.4Å; L19-F22 PolarHBondContact O-N 3.23Å; L19-F23 WeakPolarHBondContact O-CB 3.39Å; L19-F23 PolarHBondContact O-N 3.39Å
20I81.2Confident73.4Confident92 Ų92106.6 Ų106.647%0.47255%0.549SS..Hα-helixtrans-63.2-45.5174.6-70.8165.7000110.2T16 T17 I18 F22 F23 F24T16-I20 WeakPolarHBondContact O-CB 3.36Å; T16-I20 WeakPolarHBondContact O-CD1 3.22Å; T16-I20 WeakPolarHBondContact O-CG1 3.08Å; T16-I20 PolarHBondContact O-N 3.49Å; T17-I20 PolarHBondContact O-N 2.86Å; I18-I20 PolarHBondContact O-N 3.38Å; I20-F22 VanDerWaalsContact C-N 3.35Å; I20-F22 PolarHBondContact O-N 3.43Å; I20-F23 PolarHBondContact O-N 3.37Å; I20-F24 HydrophobicContact CG2-CD2 3.47Å; I20-F24 VanDerWaalsContact CG2-CD2 3.47Å; I20-F24 HydrophobicContact CG2-CE2 3.41Å; I20-F24 VanDerWaalsContact CG2-CE2 3.41Å; I20-F24 WeakPolarHBondContact O-CD2 3.31Å; I20-F24 PolarHBondContact O-N 2.62Å
21H77.2Confident70.8Confident124 Ų124111 Ų11157%0.57456%0.562SS**Hα-helixtrans-61.1-42.7175.2-106.4-55.8000112.2T17 I18 F24 L25T17-H21 WeakPolarHBondContact O-CB 3.3Å; T17-H21 PolarHBondContact O-N 3.13Å; I18-H21 PolarHBondContact O-N 3.41Å; H21-F24 PolarHBondContact O-N 3.11Å; H21-L25 VanDerWaalsContact O-CB 3.31Å; H21-L25 WeakPolarHBondContact O-CB 3.37Å; H21-L25 WeakPolarHBondContact O-CD1 3.43Å; H21-L25 WeakPolarHBondContact O-CG 3.42Å; H21-L25 PolarHBondContact O-N 3.15Å
22F75.3Confident68.2Low136 Ų136112 Ų11260%0.59658%0.577SS**Hα-helixtrans-64.4-39.5174.5-96.7-83000111.9I18 L19 I20 L25 N26I18-F22 HydrophobicContact CG2-CD2 3.72Å; I18-F22 HydrophobicContact CG2-CE2 3.96Å; I18-F22 WeakPolarHBondContact O-CB 3.06Å; I18-F22 WeakPolarHBondContact O-CD2 3.22Å; I18-F22 PolarHBondContact O-N 3.35Å; L19-F22 PolarHBondContact O-N 3.23Å; I20-F22 VanDerWaalsContact C-N 3.35Å; I20-F22 PolarHBondContact O-N 3.43Å; F22-L25 PolarHBondContact O-N 2.8Å; F22-N26 WeakPolarHBondContact O-CB 3.44Å; F22-N26 PolarHBondContact O-N 3.38Å
23F72.3Confident65.6Low150 Ų150111.3 Ų111.366%0.65858%0.581SS**Hα-helixtrans-64.2-45.8175.9-120.3-89.3000111.6L19 I20 L25 N26 E27L19-F23 WeakPolarHBondContact O-CB 3.39Å; L19-F23 PolarHBondContact O-N 3.39Å; I20-F23 PolarHBondContact O-N 3.37Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 3Å; F23-N26 PolarHBondContact O-N 3.19Å; F23-E27 PolarHBondContact O-N 2.95Å
24F66.5Low62.8Low127 Ų127112.9 Ų112.956%0.55760%0.596SS**Hα-helixtrans-67.1-32.5175.2-80.3-65000112.6I20 H21 N28I20-F24 HydrophobicContact CG2-CD2 3.47Å; I20-F24 VanDerWaalsContact CG2-CD2 3.47Å; I20-F24 HydrophobicContact CG2-CE2 3.41Å; I20-F24 VanDerWaalsContact CG2-CE2 3.41Å; I20-F24 WeakPolarHBondContact O-CD2 3.31Å; I20-F24 PolarHBondContact O-N 2.62Å; H21-F24 PolarHBondContact O-N 3.11Å; F24-N28 WeakPolarHBondContact O-CB 2.9Å; F24-N28 PolarHBondContact O-N 3.15Å; F24-N28 PolarHBondContact O-ND2 3.44Å
25L65.7Low60Low107 Ų107118.4 Ų118.456%0.5662%0.616SS**Hα-helixtrans-69-37.9171.8-74.1167.1000111.2H21 F22 F23 N28 I29H21-L25 VanDerWaalsContact O-CB 3.31Å; H21-L25 WeakPolarHBondContact O-CB 3.37Å; H21-L25 WeakPolarHBondContact O-CD1 3.43Å; H21-L25 WeakPolarHBondContact O-CG 3.42Å; H21-L25 PolarHBondContact O-N 3.15Å; F22-L25 PolarHBondContact O-N 2.8Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 3Å; L25-N28 PolarHBondContact O-N 3.05Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.02Å
26N59.6Low57.2Low108 Ų108120.3 Ų120.358%0.57863%0.632SS**Hα-helixtrans-75.4-36.8179.8-115.412.8000113.5F22 F23 N28 I29F22-N26 WeakPolarHBondContact O-CB 3.44Å; F22-N26 PolarHBondContact O-N 3.38Å; F23-N26 PolarHBondContact O-N 3.19Å; N26-N28 PolarHBondContact O-N 3.47Å; N26-I29 WeakPolarHBondContact O-CB 2.94Å; N26-I29 PolarHBondContact O-N 2.96Å; N26-I29 WeakPolarHBondContact OD1-CD1 3.32Å
27E51.7Low54.5Low153 Ų153121.6 Ų121.672%0.71564%0.64SS**Hα-helixtrans-66.9-28.2172-82.5-151.4150.600111.9F23 I29F23-E27 PolarHBondContact O-N 2.95Å; E27-I29 PolarHBondContact O-N 3.36Å
28N43.4Very low52Low129 Ų129127.7 Ų127.769%0.6966%0.66SS**THydrogen-bonded Turntrans-811.1171.6-74.3-51.3000113.6F24 L25 N26 P30F24-N28 WeakPolarHBondContact O-CB 2.9Å; F24-N28 PolarHBondContact O-N 3.15Å; F24-N28 PolarHBondContact O-ND2 3.44Å; L25-N28 PolarHBondContact O-N 3.05Å; N26-N28 PolarHBondContact O-N 3.47Å; N28-P30 VanDerWaalsContact O-CD 3.25Å; N28-P30 WeakPolarHBondContact O-CD 3.16Å
29I38.3Very low49.6Very low102 Ų102134.6 Ų134.652%0.52368%0.68SS.*SBendtrans-80.3110.3162.8-58.2-178.8000106.2L25 N26 E27 R31L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.02Å; N26-I29 WeakPolarHBondContact O-CB 2.94Å; N26-I29 PolarHBondContact O-N 2.96Å; N26-I29 WeakPolarHBondContact OD1-CD1 3.32Å; E27-I29 PolarHBondContact O-N 3.36Å; I29-R31 PolarHBondContact O-N 3.09Å
30P35.5Very low47.5Very low115 Ų115134.2 Ų134.275%0.74769%0.687SS**  trans-59.7113.5177.9-14.528.5000107.4N28 S32N28-P30 VanDerWaalsContact O-CD 3.25Å; N28-P30 WeakPolarHBondContact O-CD 3.16Å; P30-S32 PolarHBondContact O-N 3.05Å
31R32.9Very low45.7Very low232 Ų232134 Ų13488%0.87570%0.699SS**  trans-49.7118.8161.8-93.6-178.2178.6171.21105.7I29 S33I29-R31 PolarHBondContact O-N 3.09Å; R31-S33 PolarHBondContact O-N 3.16Å
32S33.7Very low44.4Very low119 Ų119136.8 Ų136.883%0.83271%0.71SS**  trans-65.473.4169.362.50000108.1P30 S34P30-S32 PolarHBondContact O-N 3.05Å; S32-S34 PolarHBondContact O-N 3.45Å
33S33.6Very low43.5Very low92 Ų92134.2 Ų134.264%0.64371%0.709SS**  trans-66123.2154.254.70000104.9R31 F35R31-S33 PolarHBondContact O-N 3.16Å; S33-F35 PolarHBondContact O-N 2.84Å
34S30.7Very low43.1Very low120 Ų120133.9 Ų133.984%0.83971%0.712SS**  trans-59.670175.641.70000110.1S32 S36S32-S34 PolarHBondContact O-N 3.45Å; S34-S36 PolarHBondContact O-N 2.99Å
35F31.5Very low43.4Very low171 Ų171128.4 Ų128.475%0.7569%0.69SS**  trans-76.985.9165-139.7-99000106S33 T37S33-F35 PolarHBondContact O-N 2.84Å; F35-T37 HydrophobicContact CD1-CG2 3.82Å; F35-T37 HydrophobicContact CE1-CG2 4.1Å; F35-T37 PolarHBondContact O-N 3.25Å; F35-T37 PolarHBondContact O-OG1 3.11Å
36S28.3Very low43.6Very low108 Ų108127.3 Ų127.376%0.75569%0.689SS**  trans-58.567.3166.1168.10000109.5S34S34-S36 PolarHBondContact O-N 2.99Å
37T31.8Very low43.6Very low97 Ų97126.1 Ų126.160%0.59569%0.694SS**  trans-81.2112.9150.441.80000104.4F35 R39F35-T37 HydrophobicContact CD1-CG2 3.82Å; F35-T37 HydrophobicContact CE1-CG2 4.1Å; F35-T37 PolarHBondContact O-N 3.25Å; F35-T37 PolarHBondContact O-OG1 3.11Å; T37-R39 PolarHBondContact O-N 3.13Å
38K31.9Very low43.7Very low198 Ų198127.9 Ų127.986%0.86170%0.702SS**  trans-51.286.1161.1-70.2174.3177.2176.60107S40K38-S40 PolarHBondContact O-N 3.35Å
39R36.3Very low44.2Very low234 Ų234123 Ų12388%0.88368%0.679SS**  trans-57.799.1150.6-93.4-176.2175.7-179.70.2102.1T37 A41T37-R39 PolarHBondContact O-N 3.13Å; R39-A41 VanDerWaalsContact C-N 3.3Å; R39-A41 PolarHBondContact O-N 3.3Å
40S39Very low45Very low104 Ų104119 Ų11973%0.72766%0.66SS**  trans-41.9110.2160.4-179.80000104.3K38 K42K38-S40 PolarHBondContact O-N 3.35Å; S40-K42 VanDerWaalsContact C-N 3.3Å; S40-K42 PolarHBondContact O-N 3.17Å
41A43.9Very low45.9Very low88 Ų88120.1 Ų120.173%0.72765%0.65SS**  trans-49.311116700000103.2R39 S43R39-A41 VanDerWaalsContact C-N 3.3Å; R39-A41 PolarHBondContact O-N 3.3Å; A41-S43 VanDerWaalsContact C-N 3.27Å; A41-S43 PolarHBondContact O-N 3.29Å
42K49.8Very low46.9Very low183 Ų183117 Ų11780%0.79665%0.651SS**  trans-54111.5167.6-84.7-178.3175.5-178.50102.1S40 I44S40-K42 VanDerWaalsContact C-N 3.3Å; S40-K42 PolarHBondContact O-N 3.17Å; K42-I44 WeakPolarHBondContact O-CG1 3.25Å; K42-I44 PolarHBondContact O-N 2.87Å
43S57Low48.5Very low82 Ų82115.3 Ų115.357%0.57363%0.629SS**  trans-47.8112.9168162.50000104.2A41 Y354A41-S43 VanDerWaalsContact C-N 3.27Å; A41-S43 PolarHBondContact O-N 3.29Å; S43-Y354 WeakPolarHBondContact O-CE1 3.38Å; S43-Y354 PolarHBondContact O-OH 3.46Å; S43-Y354 VanDerWaalsContact O-OH 3.05Å
44I64.7Low51.1Low142 Ų142119 Ų11973%0.72864%0.636SS**PPolyproline II helixtrans-89.1122.8174-60.8178000103.4K42K42-I44 WeakPolarHBondContact O-CG1 3.25Å; K42-I44 PolarHBondContact O-N 2.87Å
45C71.7Confident54Low13 Ų13117 Ų1179%0.08862%0.619CS.*PPolyproline II helixtrans-55.3132.4172.9-65.10000108.9A47 T350 C353 Y354C45-A47 PolarHBondContact O-N 3.19Å; C45-T350 WeakPolarHBondContact CB-O 3.43Å; C45-T350 PolarHBondContact SG-O 3.3Å; C45-C353 WeakPolarHBondContact CA-SG 3.42Å; C45-C353 HydrophobicContact CB-CB 3.96Å; C45-C353 WeakPolarHBondContact CB-SG 3.48Å; C45-C353 WeakPolarHBondContact SG-CB 3.4Å; C45-C353 CovalentContact SG-SG 2.03Å; C45-C353 PolarHBondContact SG-SG 3.34Å; C45-Y354 WeakPolarHBondContact SG-CE1 3.49Å
46P69.7Low57Low83 Ų83110.3 Ų110.354%0.53959%0.592SS.*PPolyproline II helixtrans-56.1131.8176.5-21.530.7000109.9E48 S49P46-E48 PolarHBondContact O-N 2.86Å; P46-S49 VanDerWaalsContact O-CB 3.27Å; P46-S49 WeakPolarHBondContact O-CB 3.41Å; P46-S49 PolarHBondContact O-N 3.43Å; P46-S49 PolarHBondContact O-OG 3.23Å
47A60.2Low60.3Low84 Ų84105.7 Ų105.769%0.69456%0.559SS**G310 helixtrans-58.3-37.6-177.500000112.2C45 S49 S50C45-A47 PolarHBondContact O-N 3.19Å; A47-S49 PolarHBondContact O-N 2.9Å; A47-S49 VanDerWaalsContact O-N 3.13Å; A47-S50 PolarHBondContact O-N 3.16Å; A47-S50 VanDerWaalsContact O-N 3.17Å; A47-S50 PolarHBondContact O-OG 3.38Å
48E53.6Low63.5Low189 Ų189101 Ų10188%0.88353%0.531SS*.G310 helixtrans-60.3-20.3175.3-70.3177.9171.700113.3P46 S50P46-E48 PolarHBondContact O-N 2.86Å; E48-S50 VanDerWaalsContact C-N 3.3Å; E48-S50 PolarHBondContact O-N 3.4Å
49S53.9Low66.6Low27 Ų2791.6 Ų91.619%0.18949%0.49CS..G310 helixtrans-82.8-0.6179.782.60000114.1P46 A47 K53P46-S49 VanDerWaalsContact O-CB 3.27Å; P46-S49 WeakPolarHBondContact O-CB 3.41Å; P46-S49 PolarHBondContact O-N 3.43Å; P46-S49 PolarHBondContact O-OG 3.23Å; A47-S49 PolarHBondContact O-N 2.9Å; A47-S49 VanDerWaalsContact O-N 3.13Å; S49-K53 WeakPolarHBondContact O-CD 3.18Å; S49-K53 WeakPolarHBondContact O-CE 3.2Å; S49-K53 PolarHBondContact O-NZ 2.92Å
50S55.5Low69.4Low19 Ų1980.8 Ų80.813%0.13345%0.449CS..SBendtrans-97.4-23.4-169.3620000115.4A47 E48A47-S50 PolarHBondContact O-N 3.16Å; A47-S50 VanDerWaalsContact O-N 3.17Å; A47-S50 PolarHBondContact O-OG 3.38Å; E48-S50 VanDerWaalsContact C-N 3.3Å; E48-S50 PolarHBondContact O-N 3.4Å
51Y54Low72Confident137 Ų13777 Ų7754%0.53742%0.419SS..SBendtrans-114.1132-177.6-66.3-86.8000109.6Q79 L80Y51-Q79 HydrophobicContact CE1-CG 4.36Å; Y51-L80 HydrophobicContact CE1-CD2 3.81Å
52N55.1Low74.2Confident168 Ų16873.3 Ų73.390%0.89839%0.387SS*.SBendtrans79.531.1-174.4-57.9-24.9000118.3
53K67.3Low76.1Confident83 Ų8367 Ų6736%0.36136%0.362SS..  trans-96.3167.6168.5-80.1-175.2176.3160.10112.8S49 N81S49-K53 WeakPolarHBondContact O-CD 3.18Å; S49-K53 WeakPolarHBondContact O-CE 3.2Å; S49-K53 PolarHBondContact O-NZ 2.92Å; K53-N81 PolarHBondContact O-ND2 3.11Å
54E86.7Confident77.5Confident169 Ų16963.2 Ų63.279%0.7934%0.335SS*.  trans-39.4147.4167.9-70.6179.617200112.9L56 R349E54-L56 PolarHBondContact O-N 3.45Å; E54-R349 PolarHBondContact O-NH1 3.27Å; E54-R349 PolarHBondContact O-NH2 3.46Å
55P91.6Very high78.4Confident77 Ų7758.4 Ų58.450%0.531%0.313SS..PPolyproline II helixtrans-64.6130.3-179.126.6-33.7000111.3N81P55-N81 VanDerWaalsContact CA-O 3.31Å; P55-N81 WeakPolarHBondContact CA-O 3.5Å
56L95.4Very high78.8Confident32 Ų3260.6 Ų60.617%0.16832%0.324CS..EExtended strand (participates in β ladder)trans-88.5127.6174.2-67.2179.1000110.1E54 N81 C82 H83 A95 L348 R349E54-L56 PolarHBondContact O-N 3.45Å; L56-N81 PolarHBondContact N-O 3.08Å; L56-N81 VanDerWaalsContact N-O 3.16Å; L56-C82 CarbonylContact O-C 3.59Å; L56-C82 VanDerWaalsContact O-CA 3.23Å; L56-C82 WeakPolarHBondContact O-CA 3.31Å; L56-H83 PolarHBondContact O-N 2.87Å; L56-A95 HydrophobicContact CB-CB 4.24Å; L56-A95 HydrophobicContact CD2-CB 4.16Å; L56-L348 HydrophobicContact CD1-CB 4.01Å; L56-R349 HydrophobicContact CD1-CG 4.04Å
57S97.4Very high79.1Confident10 Ų1056.9 Ų56.97%0.0730%0.301CS..EExtended strand (participates in β ladder)trans-88.3133177.9-167.30000111.9H83 T85 S94 A95 A96S57-H83 VanDerWaalsContact CA-CE1 3.42Å; S57-H83 WeakPolarHBondContact CA-CE1 3.39Å; S57-H83 WeakPolarHBondContact CB-CE1 3.27Å; S57-H83 VanDerWaalsContact CB-NE2 3.31Å; S57-H83 WeakPolarHBondContact CB-NE2 3.09Å; S57-H83 PolarHBondContact OG-CE1 3.33Å; S57-H83 PolarHBondContact OG-NE2 3.01Å; S57-T85 VanDerWaalsContact OG-CG2 3.29Å; S57-T85 WeakPolarHBondContact OG-CG2 3.5Å; S57-S94 CarbonylContact O-C 3.47Å; S57-A95 PolarHBondContact O-N 2.99Å; S57-A96 PolarHBondContact O-N 3.45Å
58I98.2Very high80.3Confident0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-112.3109.8169.8-56.8174.3000107.6I60 C82 H83 V84 T85 A96 V98 M341 L344 C345 L348I58-I60 HydrophobicContact CG2-CD1 4.36Å; I58-C82 HydrophobicContact CD1-CB 4.16Å; I58-H83 PolarHBondContact N-O 2.66Å; I58-V84 WeakPolarHBondContact O-CA 3.39Å; I58-T85 PolarHBondContact O-N 3.04Å; I58-A96 HydrophobicContact CG2-CB 4.37Å; I58-V98 HydrophobicContact CG2-CG2 3.63Å; I58-M341 HydrophobicContact CD1-CE 4.11Å; I58-M341 HydrophobicContact CG2-CE 4.03Å; I58-L344 HydrophobicContact CD1-CD2 4.24Å; I58-L344 HydrophobicContact CD1-CG 4.35Å; I58-L344 HydrophobicContact CG2-CD2 4.23Å; I58-C345 HydrophobicContact CD1-CB 4.48Å; I58-L348 HydrophobicContact CD1-CD1 4.05Å; I58-L348 HydrophobicContact CG1-CD1 3.84Å
59L97.3Very high82.1Confident0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-85.4121.4178.7172.959.6000110.5W61 T85 D87 I91 S94 A96 V97 V98L59-W61 HydrophobicContact CD2-CE3 3.82Å; L59-W61 HydrophobicContact CD2-CZ3 4.2Å; L59-W61 HydrophobicContact CG-CE3 4.44Å; L59-W61 PolarHBondContact O-N 2.96Å; L59-T85 CarbonylContact C-O 3.59Å; L59-T85 WeakPolarHBondContact CA-O 3.47Å; L59-T85 HydrophobicContact CB-CG2 4.21Å; L59-T85 HydrophobicContact CD1-CG2 4.06Å; L59-D87 WeakPolarHBondContact CD1-O 3.37Å; L59-I91 HydrophobicContact CD2-CB 3.79Å; L59-I91 HydrophobicContact CD2-CG1 4.2Å; L59-S94 WeakPolarHBondContact CB-OG 3.45Å; L59-A96 PolarHBondContact N-O 3.01Å; L59-V97 HydrophobicContact CB-CG1 4.47Å; L59-V97 HydrophobicContact CB-CG2 4.43Å; L59-V97 HydrophobicContact CD2-CG1 4.21Å; L59-V97 HydrophobicContact CD2-CG2 4.34Å; L59-V97 HydrophobicContact CG-CG1 4.24Å; L59-V97 CarbonylContact O-C 3.56Å; L59-V97 VanDerWaalsContact O-CA 3.27Å; L59-V97 WeakPolarHBondContact O-CA 3.18Å; L59-V98 PolarHBondContact O-N 3.37Å
60I95.9Very high83.9Confident6 Ų648.5 Ų48.53%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-86.499.1169.3-50.5-55.7000108I58 V69 V84 T85 F86 V98 M341I58-I60 HydrophobicContact CG2-CD1 4.36Å; I60-V69 HydrophobicContact CD1-CB 4.42Å; I60-V69 HydrophobicContact CD1-CG1 4.23Å; I60-V84 HydrophobicContact CD1-CG1 3.92Å; I60-V84 HydrophobicContact CG1-CG1 3.41Å; I60-V84 VanDerWaalsContact CG1-CG1 3.41Å; I60-T85 PolarHBondContact N-O 2.85Å; I60-F86 HydrophobicContact CB-CD1 3.8Å; I60-F86 HydrophobicContact CB-CE1 3.61Å; I60-F86 HydrophobicContact CB-CZ 4.19Å; I60-F86 HydrophobicContact CG1-CE1 4.12Å; I60-F86 HydrophobicContact CG1-CZ 4.18Å; I60-F86 HydrophobicContact CG2-CD1 4.09Å; I60-F86 HydrophobicContact CG2-CE1 3.59Å; I60-F86 HydrophobicContact CG2-CZ 4.34Å; I60-V98 HydrophobicContact CD1-CB 3.81Å; I60-V98 HydrophobicContact CD1-CG1 4.35Å; I60-V98 HydrophobicContact CD1-CG2 4.03Å; I60-M341 HydrophobicContact CD1-CE 4.49Å
61W93.9Very high85.9Confident26 Ų2651.5 Ų51.510%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-76.6-43.1-179.5-170-89.2000112L59 R88 I91 V97 V98 F99 P111L59-W61 HydrophobicContact CD2-CE3 3.82Å; L59-W61 HydrophobicContact CD2-CZ3 4.2Å; L59-W61 HydrophobicContact CG-CE3 4.44Å; L59-W61 PolarHBondContact O-N 2.96Å; W61-R88 HydrophobicContact CD2-CG 4.26Å; W61-R88 HydrophobicContact CE3-CB 4.18Å; W61-R88 HydrophobicContact CE3-CG 3.75Å; W61-R88 HydrophobicContact CH2-CB 3.96Å; W61-R88 HydrophobicContact CH2-CG 4.03Å; W61-R88 HydrophobicContact CZ3-CB 3.57Å; W61-R88 HydrophobicContact CZ3-CG 3.62Å; W61-R88 PolarHBondContact O-NH2 3.45Å; W61-I91 HydrophobicContact CE3-CD1 4.19Å; W61-I91 HydrophobicContact CH2-CD1 4.36Å; W61-I91 HydrophobicContact CZ3-CB 4.29Å; W61-I91 HydrophobicContact CZ3-CD1 3.77Å; W61-I91 HydrophobicContact CZ3-CG1 4.5Å; W61-V97 HydrophobicContact CB-CG1 3.58Å; W61-V97 HydrophobicContact CE3-CG1 4.34Å; W61-V97 HydrophobicContact CG-CG1 4.3Å; W61-V98 PolarHBondContact N-O 3.14Å; W61-F99 HydrophobicContact CB-CD1 3.93Å; W61-F99 HydrophobicContact CB-CE1 3.71Å; W61-F99 HydrophobicContact CB-CG 4.45Å; W61-F99 HydrophobicContact CB-CZ 4.08Å; W61-F99 AromaticContact CD1-CD1 3.74Å; W61-F99 AromaticContact CD1-CE1 3.38Å; W61-F99 HydrophobicContact CD2-CE1 4.35Å; W61-F99 HydrophobicContact CG-CD1 4.02Å; W61-F99 AromaticContact CG-CE1 3.51Å; W61-F99 HydrophobicContact CG-CE1 3.51Å; W61-F99 HydrophobicContact CG-CZ 4.11Å; W61-P111 HydrophobicContact CD2-CG 3.97Å; W61-P111 HydrophobicContact CE3-CG 4.04Å; W61-P111 HydrophobicContact CH2-CG 3.76Å; W61-P111 HydrophobicContact CZ2-CG 3.67Å; W61-P111 HydrophobicContact CZ3-CG 3.95Å
62V90.2Very high87.8Confident9 Ų949.3 Ų49.36%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-120.1115.7175.4-176.40000108.1V98 F99 Y100 N103 I104V62-V98 PolarHBondContact N-O 3.38Å; V62-F99 HydrophobicContact CG2-CB 4.39Å; V62-F99 HydrophobicContact CG2-CD1 3.94Å; V62-Y100 WeakPolarHBondContact CG1-O 3.33Å; V62-Y100 WeakPolarHBondContact O-CB 3.38Å; V62-Y100 PolarHBondContact O-N 2.89Å; V62-N103 VanDerWaalsContact CG1-C 3.41Å; V62-N103 HydrophobicContact CG1-CB 3.41Å; V62-N103 VanDerWaalsContact CG1-CB 3.41Å; V62-N103 VanDerWaalsContact CG1-O 3.31Å; V62-N103 WeakPolarHBondContact CG1-O 3.37Å; V62-I104 HydrophobicContact CG2-CG1 4.12Å
63N88.2Confident89.7Confident50 Ų5041.6 Ų41.627%0.26722%0.215SC..  trans-68145.7-175.1-171.523.4000112.1P65 F86N63-P65 WeakPolarHBondContact O-CD 3.46Å; N63-F86 HydrophobicContact CB-CE1 4.27Å
64Y87.3Confident91.1Very high3 Ų338 Ų381%0.01220%0.2CC..  trans-93.2104.3166.3177.3-130.8000109.3D66 G67 H68 Y100 L123 M125 F333 I337Y64-D66 VanDerWaalsContact C-N 3.32Å; Y64-D66 HydrophobicContact CE1-CB 4.03Å; Y64-D66 HydrophobicContact CE2-CB 4.02Å; Y64-D66 VanDerWaalsContact CE2-OD2 3.22Å; Y64-D66 WeakPolarHBondContact CE2-OD2 3.29Å; Y64-D66 PolarHBondContact O-N 2.79Å; Y64-D66 WeakPolarHBondContact OH-CB 3.42Å; Y64-D66 PolarHBondContact OH-OD2 3.16Å; Y64-G67 PolarHBondContact O-N 3.45Å; Y64-H68 PolarHBondContact O-N 2.72Å; Y64-Y100 AromaticContact CD2-CD1 3.88Å; Y64-Y100 HydrophobicContact CD2-CD1 3.88Å; Y64-Y100 AromaticContact CD2-CD2 3.6Å; Y64-Y100 HydrophobicContact CD2-CD2 3.6Å; Y64-Y100 AromaticContact CD2-CE1 3.68Å; Y64-Y100 HydrophobicContact CD2-CE1 3.68Å; Y64-Y100 AromaticContact CD2-CE2 3.38Å; Y64-Y100 HydrophobicContact CD2-CE2 3.38Å; Y64-Y100 AromaticContact CD2-CG 3.85Å; Y64-Y100 HydrophobicContact CD2-CG 3.85Å; Y64-Y100 AromaticContact CD2-CZ 3.42Å; Y64-Y100 VanDerWaalsContact CD2-CZ 3.42Å; Y64-Y100 HydrophobicContact CE2-CD2 4.36Å; Y64-Y100 HydrophobicContact CE2-CE1 4.19Å; Y64-Y100 AromaticContact CE2-CE2 3.69Å; Y64-Y100 HydrophobicContact CE2-CE2 3.69Å; Y64-Y100 AromaticContact CE2-CZ 3.59Å; Y64-Y100 HydrophobicContact CG-CD2 4.19Å; Y64-Y100 HydrophobicContact CG-CE2 4.33Å; Y64-Y100 HydrophobicContact CG-CG 4.37Å; Y64-L123 HydrophobicContact CG-CD2 4.49Å; Y64-M125 HydrophobicContact CE2-CB 4.44Å; Y64-M125 HydrophobicContact CE2-CG 4.4Å; Y64-F333 HydrophobicContact CE1-CE2 4.23Å; Y64-F333 AromaticContact CE1-CZ 3.98Å; Y64-F333 HydrophobicContact CE1-CZ 3.98Å; Y64-I337 HydrophobicContact CD1-CD1 3.75Å; Y64-I337 HydrophobicContact CE1-CD1 3.33Å
65P83.8Confident91.6Very high41 Ų4133.8 Ų33.827%0.26619%0.189SC..THydrogen-bonded Turntrans-65.8-28.8-16724.6-34.6000114.4N63 G67 Y232N63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-G67 VanDerWaalsContact C-N 3.3Å; P65-G67 PolarHBondContact O-N 2.95Å; P65-Y232 WeakPolarHBondContact O-CE1 3.17Å; P65-Y232 PolarHBondContact O-OH 3.06Å
66D79.6Confident91.7Very high59 Ų5933.6 Ų33.632%0.31619%0.19SC..THydrogen-bonded Turntrans-79.8-14.2-178.1-46.5-42.9000113.1Y64 F333Y64-D66 VanDerWaalsContact C-N 3.32Å; Y64-D66 HydrophobicContact CE1-CB 4.03Å; Y64-D66 HydrophobicContact CE2-CB 4.02Å; Y64-D66 VanDerWaalsContact CE2-OD2 3.22Å; Y64-D66 WeakPolarHBondContact CE2-OD2 3.29Å; Y64-D66 PolarHBondContact O-N 2.79Å; Y64-D66 WeakPolarHBondContact OH-CB 3.42Å; Y64-D66 PolarHBondContact OH-OD2 3.16Å; D66-F333 HydrophobicContact CB-CZ 4.29Å
67G76.7Confident91.7Very high6 Ų632.5 Ų32.56%0.06218%0.184CC..THydrogen-bonded Turntrans-115.9-37.2-178.500000114.4Y64 P65 Y73Y64-G67 PolarHBondContact O-N 3.45Å; P65-G67 VanDerWaalsContact C-N 3.3Å; P65-G67 PolarHBondContact O-N 2.95Å; G67-Y73 WeakPolarHBondContact CA-OH 2.94Å; G67-Y73 PolarHBondContact O-OH 2.93Å
68H84.5Confident91.6Very high77 Ų7734.5 Ų34.536%0.35621%0.207SC..  trans48.670.9-169.4-170.6-95.9000111.2Y64 T70 Y232Y64-H68 PolarHBondContact O-N 2.72Å; H68-T70 VanDerWaalsContact ND1-CG2 3.32Å; H68-T70 WeakPolarHBondContact ND1-CG2 3.38Å; H68-T70 WeakPolarHBondContact O-CG2 3.42Å; H68-T70 PolarHBondContact O-N 3.13Å; H68-Y232 HydrophobicContact CB-CD1 4.19Å; H68-Y232 HydrophobicContact CB-CE1 3.33Å
69V91Very high91.4Very high3 Ų340.3 Ų40.32%0.01823%0.234CC..  trans-62.6103.6-172-176.80000110I60 Y73 V84 F86 I337 M341I60-V69 HydrophobicContact CD1-CB 4.42Å; I60-V69 HydrophobicContact CD1-CG1 4.23Å; V69-Y73 HydrophobicContact CG1-CD1 4.13Å; V69-Y73 HydrophobicContact CG1-CG 4.1Å; V69-Y73 HydrophobicContact CG2-CD1 4.28Å; V69-Y73 HydrophobicContact CG2-CE1 4.22Å; V69-V84 VanDerWaalsContact O-CG1 3.29Å; V69-V84 WeakPolarHBondContact O-CG1 3.4Å; V69-F86 WeakPolarHBondContact O-CE2 3.46Å; V69-F86 WeakPolarHBondContact O-CZ 3.35Å; V69-I337 HydrophobicContact CG2-CG2 4.29Å; V69-M341 HydrophobicContact CG1-CE 3.84Å; V69-M341 HydrophobicContact CG1-CG 3.87Å; V69-M341 HydrophobicContact CG1-SD 3.85Å
70T93.4Very high91.3Very high43 Ų4340.9 Ų40.926%0.26424%0.237SC..  trans-116.3-17617856.30000110.4H68 E72 Y73 F86H68-T70 VanDerWaalsContact ND1-CG2 3.32Å; H68-T70 WeakPolarHBondContact ND1-CG2 3.38Å; H68-T70 WeakPolarHBondContact O-CG2 3.42Å; H68-T70 PolarHBondContact O-N 3.13Å; T70-E72 PolarHBondContact O-N 3.36Å; T70-E72 VanDerWaalsContact O-N 3.07Å; T70-Y73 WeakPolarHBondContact O-CB 3.19Å; T70-Y73 PolarHBondContact O-N 3.02Å; T70-F86 HydrophobicContact CG2-CE2 4.2Å
71D95.8Very high91.2Very high83 Ų8343.9 Ų43.944%0.44425%0.253SS..G310 helixtrans-56-22.3172.7-74-36.7000114Y73 L74 S75 H83 V84D71-Y73 PolarHBondContact O-N 3.14Å; D71-Y73 VanDerWaalsContact O-N 3.12Å; D71-L74 PolarHBondContact O-N 2.99Å; D71-S75 PolarHBondContact O-N 3.36Å; D71-H83 WeakPolarHBondContact OD1-CA 3.32Å; D71-V84 PolarHBondContact OD1-N 3.4Å
72E94.6Very high91.3Very high90 Ų9043.5 Ų43.542%0.42125%0.254SS..G310 helixtrans-56.8-28.4172.8-170.1-105.6159.500112.1T70 L74 S75 H338T70-E72 PolarHBondContact O-N 3.36Å; T70-E72 VanDerWaalsContact O-N 3.07Å; E72-L74 VanDerWaalsContact C-N 3.26Å; E72-L74 PolarHBondContact O-N 3.09Å; E72-S75 VanDerWaalsContact O-CB 3.31Å; E72-S75 WeakPolarHBondContact O-CB 3.21Å; E72-S75 PolarHBondContact O-N 3.38Å; E72-S75 PolarHBondContact O-OG 3.31Å; E72-H338 PolarHBondContact O-CE1 3.16Å; E72-H338 VanDerWaalsContact O-CE1 3.26Å; E72-H338 PolarHBondContact O-ND1 3.13Å; E72-H338 IonicContact OE1-CE1 3.22Å; E72-H338 PolarHBondContact OE1-CE1 3.22Å; E72-H338 VanDerWaalsContact OE1-CE1 3.28Å; E72-H338 IonicContact OE1-NE2 3.37Å; E72-H338 IonicContact OE2-CE1 2.89Å; E72-H338 IonicContact OE2-NE2 2.71Å
73Y95.4Very high91.7Very high7 Ų745.9 Ų45.93%0.02727%0.265CS..G310 helixtrans-73.8-16.4178.3-77-122.2000112.9G67 V69 T70 D71 P334 I337 H338G67-Y73 WeakPolarHBondContact CA-OH 2.94Å; G67-Y73 PolarHBondContact O-OH 2.93Å; V69-Y73 HydrophobicContact CG1-CD1 4.13Å; V69-Y73 HydrophobicContact CG1-CG 4.1Å; V69-Y73 HydrophobicContact CG2-CD1 4.28Å; V69-Y73 HydrophobicContact CG2-CE1 4.22Å; T70-Y73 WeakPolarHBondContact O-CB 3.19Å; T70-Y73 PolarHBondContact O-N 3.02Å; D71-Y73 PolarHBondContact O-N 3.14Å; D71-Y73 VanDerWaalsContact O-N 3.12Å; Y73-P334 HydrophobicContact CE1-CB 4.08Å; Y73-P334 HydrophobicContact CE1-CG 4.43Å; Y73-P334 WeakPolarHBondContact OH-CB 3.49Å; Y73-P334 WeakPolarHBondContact OH-CG 3.37Å; Y73-I337 HydrophobicContact CD1-CB 3.96Å; Y73-I337 HydrophobicContact CD1-CG2 3.57Å; Y73-I337 HydrophobicContact CE1-CB 3.75Å; Y73-I337 HydrophobicContact CE1-CG2 3.6Å; Y73-H338 WeakPolarHBondContact CA-ND1 3.4Å; Y73-H338 WeakPolarHBondContact O-CA 3.41Å
74L97.1Very high92.1Very high8 Ų844.1 Ų44.14%0.04226%0.256CS..G310 helixtrans-100.30.8176.8-63.8172.7000113D71 E72 S76 C77 G78 C82 V84 M341 C345D71-L74 PolarHBondContact O-N 2.99Å; E72-L74 VanDerWaalsContact C-N 3.26Å; E72-L74 PolarHBondContact O-N 3.09Å; L74-S76 VanDerWaalsContact C-N 3.25Å; L74-S76 PolarHBondContact O-N 3.49Å; L74-S76 VanDerWaalsContact O-N 3.14Å; L74-C77 CarbonylContact O-C 3.52Å; L74-C77 PolarHBondContact O-N 3.26Å; L74-C77 PolarHBondContact O-SG 3.01Å; L74-G78 PolarHBondContact O-N 2.99Å; L74-C82 HydrophobicContact CD1-CB 3.87Å; L74-C82 WeakPolarHBondContact CD1-O 3.35Å; L74-V84 HydrophobicContact CD1-CG2 3.7Å; L74-V84 HydrophobicContact CG-CG2 4.25Å; L74-M341 HydrophobicContact CD2-CB 3.9Å; L74-C345 HydrophobicContact CD2-CB 4.1Å
75S95.4Very high92.6Very high80 Ų8045 Ų4556%0.55926%0.262SS*.G310 helixtrans-60.1-28.9-171.858.30000114.7D71 E72 C77D71-S75 PolarHBondContact O-N 3.36Å; E72-S75 VanDerWaalsContact O-CB 3.31Å; E72-S75 WeakPolarHBondContact O-CB 3.21Å; E72-S75 PolarHBondContact O-N 3.38Å; E72-S75 PolarHBondContact O-OG 3.31Å; S75-C77 VanDerWaalsContact C-N 3.27Å; S75-C77 PolarHBondContact O-N 3.28Å
76S94.7Very high93.1Very high73 Ų7346.8 Ų46.851%0.5127%0.265SS..G310 helixtrans-79.4-4.8175.2530000114.6L74 C342L74-S76 VanDerWaalsContact C-N 3.25Å; L74-S76 PolarHBondContact O-N 3.49Å; L74-S76 VanDerWaalsContact O-N 3.14Å; S76-C342 PolarHBondContact OG-SG 3.04Å; S76-C342 VanDerWaalsContact OG-SG 3.41Å
77C96.2Very high93.9Very high8 Ų846.1 Ų46.15%0.05426%0.262CS..G310 helixtrans-139.132.5-177.958.80000112.6L74 S75 Q79 L80 C342L74-C77 CarbonylContact O-C 3.52Å; L74-C77 PolarHBondContact O-N 3.26Å; L74-C77 PolarHBondContact O-SG 3.01Å; S75-C77 VanDerWaalsContact C-N 3.27Å; S75-C77 PolarHBondContact O-N 3.28Å; C77-Q79 PolarHBondContact O-N 3.28Å; C77-Q79 PolarHBondContact O-OE1 3.25Å; C77-L80 HydrophobicContact CB-CD1 3.79Å; C77-L80 HydrophobicContact CB-CG 4.21Å; C77-L80 WeakPolarHBondContact O-CB 3.41Å; C77-L80 PolarHBondContact O-N 3.1Å; C77-C342 HydrophobicContact CB-CB 3.7Å; C77-C342 WeakPolarHBondContact CB-SG 3.41Å; C77-C342 WeakPolarHBondContact SG-CA 3.02Å; C77-C342 WeakPolarHBondContact SG-CB 3.31Å; C77-C342 CovalentContact SG-SG 2.03Å; C77-C342 PolarHBondContact SG-SG 3.17Å
78G94.7Very high94.7Very high53 Ų5350.3 Ų50.355%0.54628%0.276SS..G310 helixtrans-55.8-26.1-177.300000114.7L74 L80 N81L74-G78 PolarHBondContact O-N 2.99Å; G78-L80 PolarHBondContact O-N 3.38Å; G78-N81 PolarHBondContact O-N 2.96Å
79Q93.8Very high95.2Very high121 Ų12156.3 Ų56.357%0.56530%0.295SS*.G310 helixtrans-62.3-20.7173.976.6-752.900113.8Y51 C77 N81Y51-Q79 HydrophobicContact CE1-CG 4.36Å; C77-Q79 PolarHBondContact O-N 3.28Å; C77-Q79 PolarHBondContact O-OE1 3.25Å; Q79-N81 PolarHBondContact O-N 3.24Å
80L94.3Very high95.4Very high12 Ų1258.3 Ų58.36%0.06331%0.305CS..G310 helixtrans-78.7-6.6174.1-58.5177.8000112.1Y51 C77 G78 C82 C345 A346 R349Y51-L80 HydrophobicContact CE1-CD2 3.81Å; C77-L80 HydrophobicContact CB-CD1 3.79Å; C77-L80 HydrophobicContact CB-CG 4.21Å; C77-L80 WeakPolarHBondContact O-CB 3.41Å; C77-L80 PolarHBondContact O-N 3.1Å; G78-L80 PolarHBondContact O-N 3.38Å; L80-C82 VanDerWaalsContact C-N 3.3Å; L80-C82 PolarHBondContact O-N 3.37Å; L80-C82 VanDerWaalsContact O-N 3.15Å; L80-C345 WeakPolarHBondContact CB-SG 2.86Å; L80-C345 HydrophobicContact CD1-CB 4.26Å; L80-A346 HydrophobicContact CD1-CB 3.81Å; L80-R349 VanDerWaalsContact O-CZ 3.27Å; L80-R349 PolarHBondContact O-NE 3.41Å; L80-R349 PolarHBondContact O-NH2 3.2Å
81N94.7Very high95.4Very high70 Ų7057.4 Ų57.437%0.37430%0.299SS..  trans50.840.4171.5-170.430.6000114.4K53 P55 L56 G78 Q79 R349K53-N81 PolarHBondContact O-ND2 3.11Å; P55-N81 VanDerWaalsContact CA-O 3.31Å; P55-N81 WeakPolarHBondContact CA-O 3.5Å; L56-N81 PolarHBondContact N-O 3.08Å; L56-N81 VanDerWaalsContact N-O 3.16Å; G78-N81 PolarHBondContact O-N 2.96Å; Q79-N81 PolarHBondContact O-N 3.24Å; N81-R349 VanDerWaalsContact C-NH2 3.32Å; N81-R349 VanDerWaalsContact CB-NH2 3.33Å; N81-R349 PolarHBondContact O-NH2 2.84Å
82C97Very high95.4Very high17 Ų1758.1 Ų58.112%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-92.5155.4166.7-59.90000109.9L56 I58 L74 L80 C345L56-C82 CarbonylContact O-C 3.59Å; L56-C82 VanDerWaalsContact O-CA 3.23Å; L56-C82 WeakPolarHBondContact O-CA 3.31Å; I58-C82 HydrophobicContact CD1-CB 4.16Å; L74-C82 HydrophobicContact CD1-CB 3.87Å; L74-C82 WeakPolarHBondContact CD1-O 3.35Å; L80-C82 VanDerWaalsContact C-N 3.3Å; L80-C82 PolarHBondContact O-N 3.37Å; L80-C82 VanDerWaalsContact O-N 3.15Å; C82-C345 HydrophobicContact CB-CB 3.81Å; C82-C345 WeakPolarHBondContact CB-SG 3.17Å; C82-C345 VanDerWaalsContact SG-CA 3.5Å; C82-C345 WeakPolarHBondContact SG-CB 3.43Å; C82-C345 CovalentContact SG-SG 2.02Å; C82-C345 PolarHBondContact SG-SG 3.08Å
83H97Very high95.3Very high60 Ų6060.9 Ų60.928%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-130.5153.7169.175.1-88.5000111.1L56 S57 I58 D71L56-H83 PolarHBondContact O-N 2.87Å; S57-H83 VanDerWaalsContact CA-CE1 3.42Å; S57-H83 WeakPolarHBondContact CA-CE1 3.39Å; S57-H83 WeakPolarHBondContact CB-CE1 3.27Å; S57-H83 VanDerWaalsContact CB-NE2 3.31Å; S57-H83 WeakPolarHBondContact CB-NE2 3.09Å; S57-H83 PolarHBondContact OG-CE1 3.33Å; S57-H83 PolarHBondContact OG-NE2 3.01Å; I58-H83 PolarHBondContact N-O 2.66Å; D71-H83 WeakPolarHBondContact OD1-CA 3.32Å
84V97.9Very high95.3Very high13 Ų1360.6 Ų60.68%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-102.9134.5178.1-174.30000109.5I58 I60 V69 D71 L74 M341I58-V84 WeakPolarHBondContact O-CA 3.39Å; I60-V84 HydrophobicContact CD1-CG1 3.92Å; I60-V84 HydrophobicContact CG1-CG1 3.41Å; I60-V84 VanDerWaalsContact CG1-CG1 3.41Å; V69-V84 VanDerWaalsContact O-CG1 3.29Å; V69-V84 WeakPolarHBondContact O-CG1 3.4Å; D71-V84 PolarHBondContact OD1-N 3.4Å; L74-V84 HydrophobicContact CD1-CG2 3.7Å; L74-V84 HydrophobicContact CG-CG2 4.25Å; V84-M341 HydrophobicContact CG2-CE 4.19Å
85T96.9Very high95.3Very high22 Ų2261 Ų6114%0.13532%0.319CS..EExtended strand (participates in β ladder)trans-133.4151.9175.3-175.50000111.1S57 I58 L59 I60 D87 L90S57-T85 VanDerWaalsContact OG-CG2 3.29Å; S57-T85 WeakPolarHBondContact OG-CG2 3.5Å; I58-T85 PolarHBondContact O-N 3.04Å; L59-T85 CarbonylContact C-O 3.59Å; L59-T85 WeakPolarHBondContact CA-O 3.47Å; L59-T85 HydrophobicContact CB-CG2 4.21Å; L59-T85 HydrophobicContact CD1-CG2 4.06Å; I60-T85 PolarHBondContact N-O 2.85Å; T85-D87 PolarHBondContact OG1-N 3.38Å; T85-D87 VanDerWaalsContact OG1-N 3.1Å; T85-L90 HydrophobicContact CG2-CD1 4.12Å
86F95.2Very high95.4Very high77 Ų7757.1 Ų57.134%0.33829%0.292SS..  trans-108.51.3170.7-66.1-92.9000111.6I60 N63 V69 T70 R88I60-F86 HydrophobicContact CB-CD1 3.8Å; I60-F86 HydrophobicContact CB-CE1 3.61Å; I60-F86 HydrophobicContact CB-CZ 4.19Å; I60-F86 HydrophobicContact CG1-CE1 4.12Å; I60-F86 HydrophobicContact CG1-CZ 4.18Å; I60-F86 HydrophobicContact CG2-CD1 4.09Å; I60-F86 HydrophobicContact CG2-CE1 3.59Å; I60-F86 HydrophobicContact CG2-CZ 4.34Å; N63-F86 HydrophobicContact CB-CE1 4.27Å; V69-F86 WeakPolarHBondContact O-CE2 3.46Å; V69-F86 WeakPolarHBondContact O-CZ 3.35Å; T70-F86 HydrophobicContact CG2-CE2 4.2Å; F86-R88 PolarHBondContact O-N 2.88Å; F86-R88 VanDerWaalsContact O-N 3.11Å
87D95.5Very high95.5Very high46 Ų4653.7 Ų53.725%0.24627%0.268CS..  trans-76.599.5179.7-172.5-5.5000110.8L59 T85 R89 L90L59-D87 WeakPolarHBondContact CD1-O 3.37Å; T85-D87 PolarHBondContact OG1-N 3.38Å; T85-D87 VanDerWaalsContact OG1-N 3.1Å; D87-R89 PolarHBondContact O-N 3.45Å; D87-R89 VanDerWaalsContact OD1-CB 3.22Å; D87-R89 WeakPolarHBondContact OD1-CB 3.21Å; D87-R89 VanDerWaalsContact OD1-CG 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.32Å; D87-R89 IonicContact OD1-CZ 3.77Å; D87-R89 PolarHBondContact OD1-N 3.49Å; D87-R89 IonicContact OD1-NE 3.87Å; D87-R89 PolarHBondContact OD1-NE 3.26Å; D87-R89 IonicContact OD1-NH2 3.9Å; D87-R89 IonicContact OD2-CZ 2.62Å; D87-R89 VanDerWaalsContact OD2-CZ 3.25Å; D87-R89 IonicContact OD2-NE 3.47Å; D87-R89 PolarHBondContact OD2-NE 2.7Å; D87-R89 IonicContact OD2-NH2 2.7Å; D87-R89 PolarHBondContact OD2-NH2 3.2Å; D87-L90 HydrophobicContact CB-CD1 4.11Å; D87-L90 HydrophobicContact CB-CG 4.22Å; D87-L90 WeakPolarHBondContact O-CB 3.4Å; D87-L90 PolarHBondContact O-N 3.07Å
88R93.6Very high95.5Very high93 Ų9353.4 Ų53.435%0.35127%0.266SS..G310 helixtrans-58.3-18.7179.8-68.5-174.3173.4-165.7-5.3113.9W61 F86 L90 I91 D108W61-R88 HydrophobicContact CD2-CG 4.26Å; W61-R88 HydrophobicContact CE3-CB 4.18Å; W61-R88 HydrophobicContact CE3-CG 3.75Å; W61-R88 HydrophobicContact CH2-CB 3.96Å; W61-R88 HydrophobicContact CH2-CG 4.03Å; W61-R88 HydrophobicContact CZ3-CB 3.57Å; W61-R88 HydrophobicContact CZ3-CG 3.62Å; W61-R88 PolarHBondContact O-NH2 3.45Å; F86-R88 PolarHBondContact O-N 2.88Å; F86-R88 VanDerWaalsContact O-N 3.11Å; R88-L90 PolarHBondContact O-N 3.43Å; R88-I91 PolarHBondContact O-N 2.87Å; R88-D108 IonicContact CZ-OD1 3.83Å; R88-D108 IonicContact CZ-OD2 3.18Å; R88-D108 VanDerWaalsContact CZ-OD2 3.22Å; R88-D108 VanDerWaalsContact NH1-CG 3.27Å; R88-D108 IonicContact NH1-OD1 3.77Å; R88-D108 PolarHBondContact NH1-OD1 3.34Å; R88-D108 IonicContact NH1-OD2 3.88Å; R88-D108 PolarHBondContact NH1-OD2 3.19Å; R88-D108 IonicContact NH2-OD2 3.96Å; R88-D108 PolarHBondContact NH2-OD2 3.26Å
89R94.3Very high95.5Very high203 Ų20350.9 Ų50.977%0.76624%0.24SC*.G310 helixtrans-66.1-26.2175.9-59.2174-65.6179.14112.2D87 I91D87-R89 PolarHBondContact O-N 3.45Å; D87-R89 VanDerWaalsContact OD1-CB 3.22Å; D87-R89 WeakPolarHBondContact OD1-CB 3.21Å; D87-R89 VanDerWaalsContact OD1-CG 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.32Å; D87-R89 IonicContact OD1-CZ 3.77Å; D87-R89 PolarHBondContact OD1-N 3.49Å; D87-R89 IonicContact OD1-NE 3.87Å; D87-R89 PolarHBondContact OD1-NE 3.26Å; D87-R89 IonicContact OD1-NH2 3.9Å; D87-R89 IonicContact OD2-CZ 2.62Å; D87-R89 VanDerWaalsContact OD2-CZ 3.25Å; D87-R89 IonicContact OD2-NE 3.47Å; D87-R89 PolarHBondContact OD2-NE 2.7Å; D87-R89 IonicContact OD2-NH2 2.7Å; D87-R89 PolarHBondContact OD2-NH2 3.2Å; R89-I91 PolarHBondContact O-N 2.82Å
90L95.3Very high95.4Very high45 Ų4545.6 Ų45.624%0.23622%0.215CC..G310 helixtrans-826.5-178.5-60.3178.3000113.6T85 D87 R88 N92 E93 S94T85-L90 HydrophobicContact CG2-CD1 4.12Å; D87-L90 HydrophobicContact CB-CD1 4.11Å; D87-L90 HydrophobicContact CB-CG 4.22Å; D87-L90 WeakPolarHBondContact O-CB 3.4Å; D87-L90 PolarHBondContact O-N 3.07Å; R88-L90 PolarHBondContact O-N 3.43Å; L90-N92 PolarHBondContact O-N 3.37Å; L90-N92 VanDerWaalsContact O-N 3.1Å; L90-E93 PolarHBondContact O-N 3.11Å; L90-S94 PolarHBondContact O-N 2.99Å; L90-S94 PolarHBondContact O-OG 3.41Å
91I94.9Very high95.1Very high24 Ų2445.4 Ų45.412%0.12322%0.215CC..G310 helixtrans-52.8-36.6-177.7-173168.2000113.5L59 W61 R88 R89 E93 V97 P111 Q118L59-I91 HydrophobicContact CD2-CB 3.79Å; L59-I91 HydrophobicContact CD2-CG1 4.2Å; W61-I91 HydrophobicContact CE3-CD1 4.19Å; W61-I91 HydrophobicContact CH2-CD1 4.36Å; W61-I91 HydrophobicContact CZ3-CB 4.29Å; W61-I91 HydrophobicContact CZ3-CD1 3.77Å; W61-I91 HydrophobicContact CZ3-CG1 4.5Å; R88-I91 PolarHBondContact O-N 2.87Å; R89-I91 PolarHBondContact O-N 2.82Å; I91-E93 VanDerWaalsContact C-N 3.28Å; I91-E93 PolarHBondContact O-N 3.23Å; I91-V97 HydrophobicContact CG1-CG2 4.13Å; I91-P111 HydrophobicContact CD1-CB 3.39Å; I91-P111 HydrophobicContact CD1-CG 3.24Å; I91-Q118 PolarHBondContact O-NE2 3.37Å
92N94.2Very high94.6Very high99 Ų9944.3 Ų44.353%0.52921%0.209SC..G310 helixtrans-75.9-18.3-179.7-70-33.4000113.3L90 Q115L90-N92 PolarHBondContact O-N 3.37Å; L90-N92 VanDerWaalsContact O-N 3.1Å; N92-Q115 PolarHBondContact OD1-NE2 2.93Å
93E93.8Very high93.9Very high148 Ų14847.4 Ų47.469%0.69223%0.225SC*.THydrogen-bonded Turntrans-99.8-18.6-178.5-64.2170.2-143.900112L90 I91L90-E93 PolarHBondContact O-N 3.11Å; I91-E93 VanDerWaalsContact C-N 3.28Å; I91-E93 PolarHBondContact O-N 3.23Å
94S96Very high93.2Very high0 Ų045 Ų450%021%0.214CC..  trans-72133.6-178.8-54.80000113.1S57 L59 L90 A96 Q118S57-S94 CarbonylContact O-C 3.47Å; L59-S94 WeakPolarHBondContact CB-OG 3.45Å; L90-S94 PolarHBondContact O-N 2.99Å; L90-S94 PolarHBondContact O-OG 3.41Å; S94-A96 VanDerWaalsContact C-N 3.31Å; S94-Q118 WeakPolarHBondContact O-CG 3.33Å; S94-Q118 PolarHBondContact O-NE2 3.28Å
95A96.1Very high92.3Very high16 Ų1648.3 Ų48.313%0.13223%0.231CC..SBendtrans-70-31.4174.400000111.9L56 S57 Q118 H119 L348L56-A95 HydrophobicContact CB-CB 4.24Å; L56-A95 HydrophobicContact CD2-CB 4.16Å; S57-A95 PolarHBondContact O-N 2.99Å; A95-Q118 WeakPolarHBondContact O-CA 3.48Å; A95-H119 PolarHBondContact O-N 3.39Å; A95-L348 HydrophobicContact CB-CD1 4.25Å; A95-L348 HydrophobicContact CB-CD2 4.49Å
96A97.9Very high91.2Very high0 Ų050.8 Ų50.80%025%0.246CC..EExtended strand (participates in β ladder)trans-140.1152.5173.400000112.2S57 I58 L59 S94 H119 V121 L348S57-A96 PolarHBondContact O-N 3.45Å; I58-A96 HydrophobicContact CG2-CB 4.37Å; L59-A96 PolarHBondContact N-O 3.01Å; S94-A96 VanDerWaalsContact C-N 3.31Å; A96-H119 CarbonylContact C-O 3.55Å; A96-H119 WeakPolarHBondContact CA-O 3.4Å; A96-H119 HydrophobicContact CB-CB 4.24Å; A96-V121 HydrophobicContact CB-CG2 4.17Å; A96-L348 HydrophobicContact CB-CD1 3.65Å; A96-L348 HydrophobicContact CB-CD2 3.98Å; A96-L348 HydrophobicContact CB-CG 4.43Å
97V97.1Very high90.1Very high0 Ų055 Ų550%027%0.269CS..EExtended strand (participates in β ladder)trans-123.8118.8172.5-169.90000108.1L59 W61 I91 F99 Q118 H119 F120 V121L59-V97 HydrophobicContact CB-CG1 4.47Å; L59-V97 HydrophobicContact CB-CG2 4.43Å; L59-V97 HydrophobicContact CD2-CG1 4.21Å; L59-V97 HydrophobicContact CD2-CG2 4.34Å; L59-V97 HydrophobicContact CG-CG1 4.24Å; L59-V97 CarbonylContact O-C 3.56Å; L59-V97 VanDerWaalsContact O-CA 3.27Å; L59-V97 WeakPolarHBondContact O-CA 3.18Å; W61-V97 HydrophobicContact CB-CG1 3.58Å; W61-V97 HydrophobicContact CE3-CG1 4.34Å; W61-V97 HydrophobicContact CG-CG1 4.3Å; I91-V97 HydrophobicContact CG1-CG2 4.13Å; V97-F99 HydrophobicContact CB-CE2 3.76Å; V97-F99 HydrophobicContact CB-CZ 4.21Å; V97-F99 HydrophobicContact CG1-CD2 4.26Å; V97-F99 HydrophobicContact CG1-CE1 4.38Å; V97-F99 HydrophobicContact CG1-CE2 3.43Å; V97-F99 VanDerWaalsContact CG1-CE2 3.43Å; V97-F99 HydrophobicContact CG1-CZ 3.49Å; V97-F99 VanDerWaalsContact CG1-CZ 3.49Å; V97-F99 WeakPolarHBondContact O-CD2 3.19Å; V97-F99 WeakPolarHBondContact O-CE2 3.49Å; V97-Q118 HydrophobicContact CG2-CG 4.23Å; V97-Q118 VanDerWaalsContact CG2-NE2 3.33Å; V97-H119 PolarHBondContact N-O 3.12Å; V97-F120 HydrophobicContact CB-CD1 3.75Å; V97-F120 HydrophobicContact CB-CE1 3.9Å; V97-F120 HydrophobicContact CG2-CD1 3.91Å; V97-F120 HydrophobicContact CG2-CE1 3.67Å; V97-F120 CarbonylContact O-C 3.53Å; V97-F120 WeakPolarHBondContact O-CA 3.47Å; V97-V121 PolarHBondContact O-N 3.13Å
98V96.4Very high89.1Confident3 Ų354.7 Ų54.72%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-102.1132.5-175.7-176.40000110.1I58 L59 I60 W61 V62 V121 L123 L344I58-V98 HydrophobicContact CG2-CG2 3.63Å; L59-V98 PolarHBondContact O-N 3.37Å; I60-V98 HydrophobicContact CD1-CB 3.81Å; I60-V98 HydrophobicContact CD1-CG1 4.35Å; I60-V98 HydrophobicContact CD1-CG2 4.03Å; W61-V98 PolarHBondContact N-O 3.14Å; V62-V98 PolarHBondContact N-O 3.38Å; V98-V121 WeakPolarHBondContact CA-O 3.39Å; V98-V121 HydrophobicContact CG2-CB 4.19Å; V98-L123 HydrophobicContact CG1-CB 3.95Å; V98-L123 HydrophobicContact CG1-CD2 4.49Å; V98-L344 HydrophobicContact CG2-CD2 3.98Å
99F93.8Very high87.9Confident0 Ų057 Ų570%029%0.286CS..EExtended strand (participates in β ladder)trans-122.4113.2180-57.6-104.5000109.2W61 V62 V97 A101 I104 L110 P111 F120 V121 L123 F143 F144W61-F99 HydrophobicContact CB-CD1 3.93Å; W61-F99 HydrophobicContact CB-CE1 3.71Å; W61-F99 HydrophobicContact CB-CG 4.45Å; W61-F99 HydrophobicContact CB-CZ 4.08Å; W61-F99 AromaticContact CD1-CD1 3.74Å; W61-F99 AromaticContact CD1-CE1 3.38Å; W61-F99 HydrophobicContact CD2-CE1 4.35Å; W61-F99 HydrophobicContact CG-CD1 4.02Å; W61-F99 AromaticContact CG-CE1 3.51Å; W61-F99 HydrophobicContact CG-CE1 3.51Å; W61-F99 HydrophobicContact CG-CZ 4.11Å; V62-F99 HydrophobicContact CG2-CB 4.39Å; V62-F99 HydrophobicContact CG2-CD1 3.94Å; V97-F99 HydrophobicContact CB-CE2 3.76Å; V97-F99 HydrophobicContact CB-CZ 4.21Å; V97-F99 HydrophobicContact CG1-CD2 4.26Å; V97-F99 HydrophobicContact CG1-CE1 4.38Å; V97-F99 HydrophobicContact CG1-CE2 3.43Å; V97-F99 VanDerWaalsContact CG1-CE2 3.43Å; V97-F99 HydrophobicContact CG1-CZ 3.49Å; V97-F99 VanDerWaalsContact CG1-CZ 3.49Å; V97-F99 WeakPolarHBondContact O-CD2 3.19Å; V97-F99 WeakPolarHBondContact O-CE2 3.49Å; F99-A101 PolarHBondContact O-N 2.86Å; F99-I104 HydrophobicContact CB-CD1 4.24Å; F99-I104 HydrophobicContact CB-CG1 4.45Å; F99-L110 HydrophobicContact CD1-CD2 4.05Å; F99-L110 HydrophobicContact CE1-CD2 3.88Å; F99-P111 HydrophobicContact CZ-CG 4.4Å; F99-F120 HydrophobicContact CE2-CB 4.08Å; F99-F120 HydrophobicContact CE2-CD1 4.15Å; F99-F120 HydrophobicContact CE2-CD2 4.04Å; F99-F120 AromaticContact CE2-CG 3.83Å; F99-F120 HydrophobicContact CE2-CG 3.83Å; F99-F120 HydrophobicContact CZ-CD2 4.19Å; F99-F120 HydrophobicContact CZ-CE2 4.29Å; F99-F120 HydrophobicContact CZ-CG 4.36Å; F99-V121 PolarHBondContact N-O 3.34Å; F99-L123 PolarHBondContact O-N 2.91Å; F99-F143 HydrophobicContact CE1-CE1 4.4Å; F99-F143 HydrophobicContact CE2-CE1 4.44Å; F99-F143 HydrophobicContact CZ-CE1 4.24Å; F99-F143 HydrophobicContact CZ-CZ 4.49Å; F99-F144 HydrophobicContact CB-CE1 3.85Å; F99-F144 HydrophobicContact CB-CZ 4.3Å; F99-F144 HydrophobicContact CD2-CD1 4.3Å; F99-F144 AromaticContact CD2-CE1 3.63Å; F99-F144 HydrophobicContact CD2-CE1 3.63Å; F99-F144 HydrophobicContact CE2-CE1 4.34Å; F99-F144 AromaticContact CG-CE1 3.83Å; F99-F144 HydrophobicContact CG-CE1 3.83Å; F99-F144 HydrophobicContact CG-CZ 4.5Å
100Y91.6Very high87Confident9 Ų948.8 Ų48.84%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-72.3116.4168.1-179.8-119.5000110.8V62 Y64 N102 N103 L123 M125V62-Y100 WeakPolarHBondContact CG1-O 3.33Å; V62-Y100 WeakPolarHBondContact O-CB 3.38Å; V62-Y100 PolarHBondContact O-N 2.89Å; Y64-Y100 AromaticContact CD2-CD1 3.88Å; Y64-Y100 HydrophobicContact CD2-CD1 3.88Å; Y64-Y100 AromaticContact CD2-CD2 3.6Å; Y64-Y100 HydrophobicContact CD2-CD2 3.6Å; Y64-Y100 AromaticContact CD2-CE1 3.68Å; Y64-Y100 HydrophobicContact CD2-CE1 3.68Å; Y64-Y100 AromaticContact CD2-CE2 3.38Å; Y64-Y100 HydrophobicContact CD2-CE2 3.38Å; Y64-Y100 AromaticContact CD2-CG 3.85Å; Y64-Y100 HydrophobicContact CD2-CG 3.85Å; Y64-Y100 AromaticContact CD2-CZ 3.42Å; Y64-Y100 VanDerWaalsContact CD2-CZ 3.42Å; Y64-Y100 HydrophobicContact CE2-CD2 4.36Å; Y64-Y100 HydrophobicContact CE2-CE1 4.19Å; Y64-Y100 AromaticContact CE2-CE2 3.69Å; Y64-Y100 HydrophobicContact CE2-CE2 3.69Å; Y64-Y100 AromaticContact CE2-CZ 3.59Å; Y64-Y100 HydrophobicContact CG-CD2 4.19Å; Y64-Y100 HydrophobicContact CG-CE2 4.33Å; Y64-Y100 HydrophobicContact CG-CG 4.37Å; Y100-N102 HydrophobicContact CE1-CB 3.87Å; Y100-N102 PolarHBondContact O-N 2.71Å; Y100-N103 HydrophobicContact CD1-CB 3.94Å; Y100-N103 VanDerWaalsContact CD1-OD1 3.24Å; Y100-N103 WeakPolarHBondContact CD1-OD1 3.31Å; Y100-N103 WeakPolarHBondContact CE1-OD1 3.32Å; Y100-N103 PolarHBondContact O-N 3.47Å; Y100-L123 HydrophobicContact CD2-CD2 4.23Å; Y100-L123 HydrophobicContact CD2-CG 4.1Å; Y100-L123 WeakPolarHBondContact CD2-O 3.17Å; Y100-M125 HydrophobicContact CE2-CB 4.08Å; Y100-M125 HydrophobicContact CE2-CG 4.24Å
101A87.1Confident86.2Confident8 Ų847.3 Ų47.37%0.06625%0.25CS..G310 helixtrans-55.5-44.5-165.600000114.7F99 N103 I104 L122 L123 L124F99-A101 PolarHBondContact O-N 2.86Å; A101-N103 VanDerWaalsContact C-N 3.26Å; A101-N103 PolarHBondContact O-N 2.92Å; A101-I104 PolarHBondContact O-N 3.22Å; A101-L122 HydrophobicContact CB-CD1 3.68Å; A101-L122 HydrophobicContact CB-CG 4.36Å; A101-L123 PolarHBondContact N-O 3.14Å; A101-L124 HydrophobicContact CB-CD2 3.33Å; A101-L124 HydrophobicContact CB-CG 4.05Å
102N84.6Confident85.3Confident47 Ų4755.5 Ų55.525%0.25129%0.285SS..G310 helixtrans-76.7-13.2-171.1-83.712.6000113.8Y100 E126 E130 S132Y100-N102 HydrophobicContact CE1-CB 3.87Å; Y100-N102 PolarHBondContact O-N 2.71Å; N102-E126 WeakPolarHBondContact ND2-CB 3.46Å; N102-E126 WeakPolarHBondContact ND2-CG 3.46Å; N102-E130 PolarHBondContact ND2-O 3.2Å; N102-S132 PolarHBondContact OD1-N 3.46Å; N102-S132 VanDerWaalsContact OD1-N 3.15Å
103N83.4Confident84.8Confident83 Ų8357.2 Ų57.244%0.44429%0.292SS..G310 helixtrans-107.37.8177.2-73.460.2000112.5V62 Y100 A101 D105V62-N103 VanDerWaalsContact CG1-C 3.41Å; V62-N103 HydrophobicContact CG1-CB 3.41Å; V62-N103 VanDerWaalsContact CG1-CB 3.41Å; V62-N103 VanDerWaalsContact CG1-O 3.31Å; V62-N103 WeakPolarHBondContact CG1-O 3.37Å; Y100-N103 HydrophobicContact CD1-CB 3.94Å; Y100-N103 VanDerWaalsContact CD1-OD1 3.24Å; Y100-N103 WeakPolarHBondContact CD1-OD1 3.31Å; Y100-N103 WeakPolarHBondContact CE1-OD1 3.32Å; Y100-N103 PolarHBondContact O-N 3.47Å; A101-N103 VanDerWaalsContact C-N 3.26Å; A101-N103 PolarHBondContact O-N 2.92Å; N103-D105 PolarHBondContact O-N 3.15Å
104I82.8Confident84.6Confident10 Ų1053.4 Ų53.45%0.05127%0.272CS..  trans-65.3111.2171.9-68.4170000107.5V62 F99 A101 L110 L122 A135 V139 F144V62-I104 HydrophobicContact CG2-CG1 4.12Å; F99-I104 HydrophobicContact CB-CD1 4.24Å; F99-I104 HydrophobicContact CB-CG1 4.45Å; A101-I104 PolarHBondContact O-N 3.22Å; I104-L110 HydrophobicContact CG2-CD1 4.08Å; I104-L110 HydrophobicContact CG2-CD2 4.29Å; I104-L122 HydrophobicContact CD1-CD1 4.14Å; I104-A135 HydrophobicContact CB-CB 3.86Å; I104-A135 HydrophobicContact CG2-CB 4.03Å; I104-V139 HydrophobicContact CD1-CG2 4.03Å; I104-F144 HydrophobicContact CD1-CZ 4.21Å
105D77.9Confident84.5Confident81 Ų8156 Ų5643%0.43328%0.284SS..  trans-83.8123.8167.2-175.2-1.9000108.5N103 M107 D108N103-D105 PolarHBondContact O-N 3.15Å; D105-M107 PolarHBondContact O-N 3.16Å; D105-M107 WeakPolarHBondContact OD1-CB 3.29Å; D105-M107 PolarHBondContact OD1-N 2.94Å; D105-D108 HydrophobicContact CB-CB 3.93Å; D105-D108 WeakPolarHBondContact O-CB 3.31Å; D105-D108 PolarHBondContact O-N 3.26Å
106T73.7Confident84.4Confident75 Ų7558.3 Ų58.346%0.4630%0.298SS..THydrogen-bonded Turntrans-69.6-15.2175.451.20000113V134 A138T106-V134 HydrophobicContact CG2-CG1 4Å; T106-A138 HydrophobicContact CG2-CB 4.03Å
107M72.6Confident84.1Confident164 Ų16462.5 Ų62.581%0.80832%0.317SS*.THydrogen-bonded Turntrans-86-22.1172.4-57.2-171.1-176.400112.6D105 L109D105-M107 PolarHBondContact O-N 3.16Å; D105-M107 WeakPolarHBondContact OD1-CB 3.29Å; D105-M107 PolarHBondContact OD1-N 2.94Å; M107-L109 PolarHBondContact O-N 2.66Å
108D75.1Confident84Confident41 Ų4162.6 Ų62.622%0.21932%0.317CS..SBendtrans-67.5130.3170.5-172.414.8000108.2R88 D105 L110R88-D108 IonicContact CZ-OD1 3.83Å; R88-D108 IonicContact CZ-OD2 3.18Å; R88-D108 VanDerWaalsContact CZ-OD2 3.22Å; R88-D108 VanDerWaalsContact NH1-CG 3.27Å; R88-D108 IonicContact NH1-OD1 3.77Å; R88-D108 PolarHBondContact NH1-OD1 3.34Å; R88-D108 IonicContact NH1-OD2 3.88Å; R88-D108 PolarHBondContact NH1-OD2 3.19Å; R88-D108 IonicContact NH2-OD2 3.96Å; R88-D108 PolarHBondContact NH2-OD2 3.26Å; D105-D108 HydrophobicContact CB-CB 3.93Å; D105-D108 WeakPolarHBondContact O-CB 3.31Å; D105-D108 PolarHBondContact O-N 3.26Å; D108-L110 PolarHBondContact O-N 2.91Å
109L66.9Low84.1Confident141 Ų14162.6 Ų62.674%0.73832%0.317SS*.  trans-67.884.3-177.6-71.6170.8000108.9M107M107-L109 PolarHBondContact O-N 2.66Å
110L76.5Confident84.2Confident31 Ų3162.8 Ų62.816%0.16232%0.318CS..  trans-54.1133.4173.8-71.7-179.6000108.6F99 I104 D108 K112 V139 F143F99-L110 HydrophobicContact CD1-CD2 4.05Å; F99-L110 HydrophobicContact CE1-CD2 3.88Å; I104-L110 HydrophobicContact CG2-CD1 4.08Å; I104-L110 HydrophobicContact CG2-CD2 4.29Å; D108-L110 PolarHBondContact O-N 2.91Å; L110-K112 PolarHBondContact O-N 3.39Å; L110-V139 HydrophobicContact CD1-CG1 3.54Å; L110-F143 HydrophobicContact CB-CE2 4.33Å; L110-F143 HydrophobicContact CB-CZ 4.05Å; L110-F143 HydrophobicContact CD1-CZ 4.24Å
111P78.4Confident84.5Confident14 Ų1462.4 Ų62.49%0.09132%0.316CS..  trans-55.4117178-25.934.6000110.3W61 I91 F99 I113 F120W61-P111 HydrophobicContact CD2-CG 3.97Å; W61-P111 HydrophobicContact CE3-CG 4.04Å; W61-P111 HydrophobicContact CH2-CG 3.76Å; W61-P111 HydrophobicContact CZ2-CG 3.67Å; W61-P111 HydrophobicContact CZ3-CG 3.95Å; I91-P111 HydrophobicContact CD1-CB 3.39Å; I91-P111 HydrophobicContact CD1-CG 3.24Å; F99-P111 HydrophobicContact CZ-CG 4.4Å; P111-I113 VanDerWaalsContact C-N 3.33Å; P111-F120 HydrophobicContact CB-CE2 4.14Å; P111-F120 HydrophobicContact CB-CZ 3.76Å; P111-F120 HydrophobicContact CG-CZ 4.44Å
112K76.1Confident84.8Confident195 Ų19562.1 Ų62.185%0.84831%0.314SS*.SBendtrans-79.3-20.2-177.8-63.8-174.3-179.1179.80112.9L110L110-K112 PolarHBondContact O-N 3.39Å
113I82.7Confident85.3Confident135 Ų13560.1 Ų60.169%0.69230%0.303SS*.  trans-123.8128.5-176.1-56.7175.7000107.9P111P111-I113 VanDerWaalsContact C-N 3.33Å
114R90.7Very high85.8Confident69 Ų6956.2 Ų56.226%0.2628%0.282SS..  trans-107.6137.6174.5-179.1178.761.8700.3108.7Q118 F120 T145R114-Q118 WeakPolarHBondContact CD-O 3.41Å; R114-Q118 HydrophobicContact CG-CB 4.15Å; R114-Q118 HydrophobicContact CG-CG 4.23Å; R114-Q118 WeakPolarHBondContact CG-O 3.49Å; R114-Q118 PolarHBondContact NH1-O 3.3Å; R114-F120 HydrophobicContact CB-CD1 4.3Å; R114-F120 HydrophobicContact CB-CD2 4.42Å; R114-F120 HydrophobicContact CB-CE1 3.92Å; R114-F120 HydrophobicContact CB-CE2 4.04Å; R114-F120 HydrophobicContact CB-CZ 3.76Å; R114-F120 HydrophobicContact CG-CD1 3.71Å; R114-F120 HydrophobicContact CG-CE1 3.67Å; R114-F120 HydrophobicContact CG-CE2 4.48Å; R114-F120 HydrophobicContact CG-CG 4.15Å; R114-F120 HydrophobicContact CG-CZ 4.05Å; R114-T145 VanDerWaalsContact CZ-CG2 3.45Å
115Q93.4Very high86.3Confident55 Ų5555.8 Ų55.826%0.25728%0.28SS..  trans-63.6145.4174.8-61.7-59.8-26.500110.5N92 H117 Q118N92-Q115 PolarHBondContact OD1-NE2 2.93Å; Q115-H117 PolarHBondContact O-N 2.84Å; Q115-H117 VanDerWaalsContact O-N 3.1Å; Q115-Q118 HydrophobicContact CB-CB 3.79Å; Q115-Q118 WeakPolarHBondContact O-CB 3.29Å; Q115-Q118 PolarHBondContact O-N 3.22Å
116P93.5Very high87Confident64 Ų6453.9 Ų53.942%0.41627%0.269SS..THydrogen-bonded Turntrans-54.1-36.1-175.5-29.536.6000114.1R355 T356 I357P116-R355 CarbonylContact C-O 3.59Å; P116-R355 WeakPolarHBondContact CB-O 3.16Å; P116-T356 HydrophobicContact CB-CG2 4.37Å; P116-T356 CarbonylContact O-C 3.59Å; P116-T356 VanDerWaalsContact O-CA 3.31Å; P116-T356 WeakPolarHBondContact O-CA 3.48Å; P116-I357 PolarHBondContact O-N 3.36Å
117H91.9Very high88Confident88 Ų8850.3 Ų50.341%0.40725%0.247SC..THydrogen-bonded Turntrans-91.6-1.918061.676.3000114.4Q115 R355Q115-H117 PolarHBondContact O-N 2.84Å; Q115-H117 VanDerWaalsContact O-N 3.1Å; H117-R355 PolarHBondContact N-O 2.04Å
118Q95.8Very high89Confident1 Ų143.5 Ų43.51%0.00522%0.215CC..PPolyproline II helixtrans-95.7141.2-172.8173.7178.366.100111.7I91 S94 A95 V97 R114 Q115 F120 I357I91-Q118 PolarHBondContact O-NE2 3.37Å; S94-Q118 WeakPolarHBondContact O-CG 3.33Å; S94-Q118 PolarHBondContact O-NE2 3.28Å; A95-Q118 WeakPolarHBondContact O-CA 3.48Å; V97-Q118 HydrophobicContact CG2-CG 4.23Å; V97-Q118 VanDerWaalsContact CG2-NE2 3.33Å; R114-Q118 WeakPolarHBondContact CD-O 3.41Å; R114-Q118 HydrophobicContact CG-CB 4.15Å; R114-Q118 HydrophobicContact CG-CG 4.23Å; R114-Q118 WeakPolarHBondContact CG-O 3.49Å; R114-Q118 PolarHBondContact NH1-O 3.3Å; Q115-Q118 HydrophobicContact CB-CB 3.79Å; Q115-Q118 WeakPolarHBondContact O-CB 3.29Å; Q115-Q118 PolarHBondContact O-N 3.22Å; Q118-F120 HydrophobicContact CG-CD1 4.4Å; Q118-F120 HydrophobicContact CG-CE1 4.37Å; Q118-I357 WeakPolarHBondContact O-CG1 3.24Å
119H97.3Very high89.9Confident4 Ų444.1 Ų44.12%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-93.9133.2171.7-77.4-79.3000112.8A95 A96 V97 V121 T145 L146 L348 E351A95-H119 PolarHBondContact O-N 3.39Å; A96-H119 CarbonylContact C-O 3.55Å; A96-H119 WeakPolarHBondContact CA-O 3.4Å; A96-H119 HydrophobicContact CB-CB 4.24Å; V97-H119 PolarHBondContact N-O 3.12Å; H119-V121 HydrophobicContact CB-CG2 4.13Å; H119-T145 VanDerWaalsContact CA-OG1 3.24Å; H119-T145 WeakPolarHBondContact CA-OG1 3.27Å; H119-T145 WeakPolarHBondContact CB-OG1 3.3Å; H119-T145 PolarHBondContact ND1-OG1 3.09Å; H119-L146 HydrophobicContact CB-CD1 4.04Å; H119-L146 WeakPolarHBondContact ND1-CD1 3.43Å; H119-L146 WeakPolarHBondContact ND1-CG 2.98Å; H119-L348 HydrophobicContact CB-CD2 4.31Å; H119-E351 IonicContact CE1-OE2 3.91Å; H119-E351 IonicContact NE2-OE2 2.8Å; H119-E351 PolarHBondContact NE2-OE2 3.34Å
120F96.4Very high91Very high4 Ų441.2 Ų41.22%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-97.8120.4161.2-79.69.9000107.5V97 F99 P111 R114 Q118 F143 F144 T145 L146V97-F120 HydrophobicContact CB-CD1 3.75Å; V97-F120 HydrophobicContact CB-CE1 3.9Å; V97-F120 HydrophobicContact CG2-CD1 3.91Å; V97-F120 HydrophobicContact CG2-CE1 3.67Å; V97-F120 CarbonylContact O-C 3.53Å; V97-F120 WeakPolarHBondContact O-CA 3.47Å; F99-F120 HydrophobicContact CE2-CB 4.08Å; F99-F120 HydrophobicContact CE2-CD1 4.15Å; F99-F120 HydrophobicContact CE2-CD2 4.04Å; F99-F120 AromaticContact CE2-CG 3.83Å; F99-F120 HydrophobicContact CE2-CG 3.83Å; F99-F120 HydrophobicContact CZ-CD2 4.19Å; F99-F120 HydrophobicContact CZ-CE2 4.29Å; F99-F120 HydrophobicContact CZ-CG 4.36Å; P111-F120 HydrophobicContact CB-CE2 4.14Å; P111-F120 HydrophobicContact CB-CZ 3.76Å; P111-F120 HydrophobicContact CG-CZ 4.44Å; R114-F120 HydrophobicContact CB-CD1 4.3Å; R114-F120 HydrophobicContact CB-CD2 4.42Å; R114-F120 HydrophobicContact CB-CE1 3.92Å; R114-F120 HydrophobicContact CB-CE2 4.04Å; R114-F120 HydrophobicContact CB-CZ 3.76Å; R114-F120 HydrophobicContact CG-CD1 3.71Å; R114-F120 HydrophobicContact CG-CE1 3.67Å; R114-F120 HydrophobicContact CG-CE2 4.48Å; R114-F120 HydrophobicContact CG-CG 4.15Å; R114-F120 HydrophobicContact CG-CZ 4.05Å; Q118-F120 HydrophobicContact CG-CD1 4.4Å; Q118-F120 HydrophobicContact CG-CE1 4.37Å; F120-F143 HydrophobicContact CD2-CD1 4.25Å; F120-F143 AromaticContact CD2-CE1 3.76Å; F120-F143 HydrophobicContact CD2-CE1 3.76Å; F120-F143 AromaticContact CD2-CZ 3.96Å; F120-F143 HydrophobicContact CD2-CZ 3.96Å; F120-F143 HydrophobicContact CE2-CE1 4.26Å; F120-F143 AromaticContact CE2-CZ 3.98Å; F120-F143 HydrophobicContact CE2-CZ 3.98Å; F120-F144 HydrophobicContact CB-CD1 4.1Å; F120-T145 PolarHBondContact N-OG1 2.9Å; F120-T145 PolarHBondContact O-N 3.47Å; F120-T145 PolarHBondContact O-OG1 3.25Å; F120-L146 PolarHBondContact O-N 2.98Å; F120-L146 VanDerWaalsContact O-N 3.16Å
121V97.1Very high91.4Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-112.8120.6-171.4-170.90000109A96 V97 V98 F99 H119 L146 M148 L344A96-V121 HydrophobicContact CB-CG2 4.17Å; V97-V121 PolarHBondContact O-N 3.13Å; V98-V121 WeakPolarHBondContact CA-O 3.39Å; V98-V121 HydrophobicContact CG2-CB 4.19Å; F99-V121 PolarHBondContact N-O 3.34Å; H119-V121 HydrophobicContact CB-CG2 4.13Å; V121-L146 WeakPolarHBondContact CA-O 3.48Å; V121-L146 HydrophobicContact CG1-CB 4.24Å; V121-L146 HydrophobicContact CG2-CB 4.22Å; V121-L146 HydrophobicContact CG2-CD1 4.38Å; V121-M148 HydrophobicContact CG1-CB 3.82Å; V121-L344 HydrophobicContact CG2-CD1 3.99Å; V121-L344 HydrophobicContact CG2-CD2 4.33Å
122L94.7Very high91.6Very high3 Ų341.7 Ų41.72%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-86117171-176.470.5000109.6A101 I104 L124 F144 L146 M148 I366A101-L122 HydrophobicContact CB-CD1 3.68Å; A101-L122 HydrophobicContact CB-CG 4.36Å; I104-L122 HydrophobicContact CD1-CD1 4.14Å; L122-L124 HydrophobicContact CD2-CD1 3.45Å; L122-L124 VanDerWaalsContact CD2-CD1 3.45Å; L122-L124 HydrophobicContact CD2-CD2 4.21Å; L122-L124 HydrophobicContact CD2-CG 3.67Å; L122-L124 HydrophobicContact CG-CD1 4.16Å; L122-L124 HydrophobicContact CG-CG 3.92Å; L122-F144 HydrophobicContact CB-CB 4.44Å; L122-F144 HydrophobicContact CB-CD1 3.73Å; L122-F144 HydrophobicContact CB-CD2 3.89Å; L122-F144 HydrophobicContact CB-CE1 3.88Å; L122-F144 HydrophobicContact CB-CE2 3.97Å; L122-F144 HydrophobicContact CB-CG 3.74Å; L122-F144 HydrophobicContact CB-CZ 4Å; L122-F144 HydrophobicContact CD1-CD2 4.46Å; L122-F144 HydrophobicContact CD1-CE1 3.98Å; L122-F144 HydrophobicContact CD1-CE2 3.69Å; L122-F144 HydrophobicContact CD1-CZ 3.44Å; L122-F144 VanDerWaalsContact CD1-CZ 3.44Å; L122-F144 HydrophobicContact CD2-CD2 4.43Å; L122-F144 HydrophobicContact CD2-CE2 4.2Å; L122-F144 HydrophobicContact CG-CD2 4.48Å; L122-F144 HydrophobicContact CG-CE2 4.15Å; L122-F144 HydrophobicContact CG-CZ 4.22Å; L122-L146 PolarHBondContact N-O 3.44Å; L122-M148 PolarHBondContact O-N 3.48Å; L122-I366 HydrophobicContact CB-CD1 4.09Å; L122-I366 HydrophobicContact CD2-CD1 3.41Å; L122-I366 VanDerWaalsContact CD2-CD1 3.41Å; L122-I366 HydrophobicContact CD2-CG2 3.74Å; L122-I366 HydrophobicContact CG-CD1 4.36Å
123L94.9Very high91.8Very high4 Ų441 Ų412%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-91.7114.1170.4176.962000110.2Y64 V98 F99 Y100 A101 M125 M148Y64-L123 HydrophobicContact CG-CD2 4.49Å; V98-L123 HydrophobicContact CG1-CB 3.95Å; V98-L123 HydrophobicContact CG1-CD2 4.49Å; F99-L123 PolarHBondContact O-N 2.91Å; Y100-L123 HydrophobicContact CD2-CD2 4.23Å; Y100-L123 HydrophobicContact CD2-CG 4.1Å; Y100-L123 WeakPolarHBondContact CD2-O 3.17Å; A101-L123 PolarHBondContact N-O 3.14Å; L123-M125 HydrophobicContact CD1-CG 4.17Å; L123-M125 HydrophobicContact CD1-SD 3.93Å; L123-M125 HydrophobicContact CG-CG 4.37Å; L123-M148 CarbonylContact C-O 3.53Å; L123-M148 VanDerWaalsContact CA-O 3.31Å; L123-M148 WeakPolarHBondContact CA-O 3.49Å; L123-M148 HydrophobicContact CD1-CB 4.22Å; L123-M148 HydrophobicContact CD1-CE 3.99Å; L123-M148 HydrophobicContact CD1-CG 3.72Å; L123-M148 HydrophobicContact CD1-SD 4.02Å
124L92.7Very high91.7Very high2 Ų239.3 Ų39.31%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-116.7108.5178.2-78162.5000110.4A101 L122 M148 S149 I366 W369 F370A101-L124 HydrophobicContact CB-CD2 3.33Å; A101-L124 HydrophobicContact CB-CG 4.05Å; L122-L124 HydrophobicContact CD2-CD1 3.45Å; L122-L124 VanDerWaalsContact CD2-CD1 3.45Å; L122-L124 HydrophobicContact CD2-CD2 4.21Å; L122-L124 HydrophobicContact CD2-CG 3.67Å; L122-L124 HydrophobicContact CG-CD1 4.16Å; L122-L124 HydrophobicContact CG-CG 3.92Å; L124-M148 PolarHBondContact N-O 3.3Å; L124-S149 WeakPolarHBondContact O-CA 3.24Å; L124-S149 WeakPolarHBondContact O-CB 3.47Å; L124-I366 HydrophobicContact CD1-CG2 4.11Å; L124-W369 HydrophobicContact CD1-CZ3 4.21Å; L124-F370 HydrophobicContact CB-CE2 4.32Å; L124-F370 HydrophobicContact CB-CZ 4.19Å; L124-F370 HydrophobicContact CD1-CB 4.4Å; L124-F370 HydrophobicContact CD1-CD1 3.88Å; L124-F370 HydrophobicContact CD1-CD2 3.89Å; L124-F370 HydrophobicContact CD1-CE1 4.08Å; L124-F370 HydrophobicContact CD1-CE2 4.12Å; L124-F370 HydrophobicContact CD1-CG 3.79Å; L124-F370 HydrophobicContact CD1-CZ 4.21Å; L124-F370 HydrophobicContact CD2-CD1 4.4Å; L124-F370 HydrophobicContact CD2-CE1 4.04Å; L124-F370 HydrophobicContact CD2-CZ 4.42Å; L124-F370 HydrophobicContact CG-CE1 4.49Å
125M93.3Very high90.9Very high0 Ų036.1 Ų36.10%019%0.192CC..  trans-103.7-27172.4-60.6-55.3-63.700112.2Y64 Y100 L123 Y150 Y160 I337Y64-M125 HydrophobicContact CE2-CB 4.44Å; Y64-M125 HydrophobicContact CE2-CG 4.4Å; Y100-M125 HydrophobicContact CE2-CB 4.08Å; Y100-M125 HydrophobicContact CE2-CG 4.24Å; L123-M125 HydrophobicContact CD1-CG 4.17Å; L123-M125 HydrophobicContact CD1-SD 3.93Å; L123-M125 HydrophobicContact CG-CG 4.37Å; M125-Y150 VanDerWaalsContact O-CD1 3.27Å; M125-Y150 WeakPolarHBondContact O-CD1 3.45Å; M125-Y160 HydrophobicContact CE-CD1 4.28Å; M125-Y160 HydrophobicContact CE-CD2 3.81Å; M125-Y160 HydrophobicContact CE-CE1 4.12Å; M125-Y160 HydrophobicContact CE-CE2 3.62Å; M125-Y160 HydrophobicContact CE-CG 4.15Å; M125-Y160 PolarHBondContact O-OH 3.43Å; M125-I337 HydrophobicContact CE-CD1 4.38Å; M125-I337 HydrophobicContact CE-CG1 4.27Å
126E93.2Very high90.2Very high42 Ų4234.6 Ų34.620%0.19618%0.184CC..SBendtrans-85.3145.6177.1-67.4-53.1142.500113N102 E130 Y260 F370N102-E126 WeakPolarHBondContact ND2-CB 3.46Å; N102-E126 WeakPolarHBondContact ND2-CG 3.46Å; E126-E130 HydrophobicContact CB-CB 4.31Å; E126-Y260 PolarHBondContact OE2-OH 2.89Å; E126-F370 VanDerWaalsContact O-CZ 3.26Å; E126-F370 WeakPolarHBondContact O-CZ 3.49Å
127P95.1Very high89.7Confident0 Ų039 Ų390%020%0.197CC..  trans-76.5163.2-179.234.6-35.3000111.2P129 E130 A131 Y150 Y260P127-P129 VanDerWaalsContact C-CD 3.45Å; P127-P129 VanDerWaalsContact O-N 3.13Å; P127-E130 HydrophobicContact CG-CB 4.22Å; P127-E130 HydrophobicContact CG-CG 3.89Å; P127-E130 CarbonylContact O-C 3.48Å; P127-E130 PolarHBondContact O-N 3.49Å; P127-A131 PolarHBondContact O-N 2.94Å; P127-Y150 WeakPolarHBondContact CA-OH 3.37Å; P127-Y260 HydrophobicContact CB-CD1 4.14Å; P127-Y260 HydrophobicContact CB-CD2 3.99Å; P127-Y260 HydrophobicContact CB-CE1 4.24Å; P127-Y260 HydrophobicContact CB-CE2 4.11Å; P127-Y260 HydrophobicContact CB-CG 4Å; P127-Y260 VanDerWaalsContact CD-CZ 3.41Å; P127-Y260 WeakPolarHBondContact CD-OH 3.15Å; P127-Y260 HydrophobicContact CG-CD1 4.07Å; P127-Y260 HydrophobicContact CG-CD2 4.28Å; P127-Y260 HydrophobicContact CG-CE1 3.68Å; P127-Y260 HydrophobicContact CG-CE2 3.93Å; P127-Y260 HydrophobicContact CG-CG 4.34Å
128P93.7Very high89.1Confident21 Ų2137.9 Ų37.914%0.13620%0.203CC..G310 helixtrans-52-39-174.1-28.835.1000116.4E130 A131 F370 V371P128-E130 PolarHBondContact O-N 3.43Å; P128-A131 PolarHBondContact O-N 3.2Å; P128-F370 HydrophobicContact CB-CE1 4.44Å; P128-F370 HydrophobicContact CG-CD1 3.89Å; P128-F370 HydrophobicContact CG-CE1 3.71Å; P128-F370 HydrophobicContact CG-CZ 4.19Å; P128-F370 WeakPolarHBondContact CG-O 3.04Å; P128-V371 HydrophobicContact CB-CG1 4.49Å; P128-V371 HydrophobicContact CB-CG2 4.32Å
129P93.4Very high88.4Confident53 Ų5338.1 Ų38.134%0.34420%0.204SC..G310 helixtrans-65.5-23.5177.1-23.636.9000114.4P127 S255P127-P129 VanDerWaalsContact C-CD 3.45Å; P127-P129 VanDerWaalsContact O-N 3.13Å; P129-S255 WeakPolarHBondContact CG-OG 3.33Å
130E90Very high87.8Confident81 Ų8139.8 Ų39.838%0.37921%0.212SC..G310 helixtrans-106.41.1-178.1-49.7-62.6157.800112.2N102 E126 P127 P128N102-E130 PolarHBondContact ND2-O 3.2Å; E126-E130 HydrophobicContact CB-CB 4.31Å; P127-E130 HydrophobicContact CG-CB 4.22Å; P127-E130 HydrophobicContact CG-CG 3.89Å; P127-E130 CarbonylContact O-C 3.48Å; P127-E130 PolarHBondContact O-N 3.49Å; P128-E130 PolarHBondContact O-N 3.43Å
131A85.8Confident87.5Confident14 Ų1445.1 Ų45.112%0.11624%0.235CC..SBendtrans-72.8141.9176.400000111.2P127 P128 K133P127-A131 PolarHBondContact O-N 2.94Å; P128-A131 PolarHBondContact O-N 3.2Å; A131-K133 PolarHBondContact O-N 3.25Å
132S81Confident87Confident41 Ų4151.2 Ų51.229%0.28727%0.268SS..  trans-62.5109.5177174.60000111.6N102 V134 A135 F136N102-S132 PolarHBondContact OD1-N 3.46Å; N102-S132 VanDerWaalsContact OD1-N 3.15Å; S132-V134 VanDerWaalsContact C-N 3.31Å; S132-V134 PolarHBondContact O-N 2.94Å; S132-A135 WeakPolarHBondContact OG-CB 3.04Å; S132-A135 PolarHBondContact OG-N 3.37Å; S132-F136 WeakPolarHBondContact O-CB 3.34Å; S132-F136 PolarHBondContact O-N 3.01Å
133K81.1Confident86.9Confident180 Ų18053.1 Ų53.178%0.78328%0.276SS*.Hα-helixtrans-61.6-37-178.5-65.6-179.2-178.2175.80113.3A131 K137A131-K133 PolarHBondContact O-N 3.25Å; K133-K137 VanDerWaalsContact O-CB 3.24Å; K133-K137 WeakPolarHBondContact O-CB 3.28Å; K133-K137 PolarHBondContact O-N 3.08Å; K133-K137 VanDerWaalsContact O-N 3.16Å
134V80.3Confident86.9Confident99 Ų9952.9 Ų52.960%0.628%0.275SS*.Hα-helixtrans-73.6-53.9-176.9176.40000110.2T106 S132 F136 K137 A138T106-V134 HydrophobicContact CG2-CG1 4Å; S132-V134 VanDerWaalsContact C-N 3.31Å; S132-V134 PolarHBondContact O-N 2.94Å; V134-F136 PolarHBondContact O-N 3.34Å; V134-K137 PolarHBondContact O-N 3.35Å; V134-A138 PolarHBondContact O-N 3.36Å
135A75.1Confident87.1Confident2 Ų252.9 Ų52.92%0.01728%0.275CS..Hα-helixtrans-60.6-48178.200000111I104 S132 K137 A138 V139I104-A135 HydrophobicContact CB-CB 3.86Å; I104-A135 HydrophobicContact CG2-CB 4.03Å; S132-A135 WeakPolarHBondContact OG-CB 3.04Å; S132-A135 PolarHBondContact OG-N 3.37Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-K137 PolarHBondContact O-N 2.85Å; A135-A138 WeakPolarHBondContact O-CB 3.28Å; A135-A138 PolarHBondContact O-N 3.26Å; A135-V139 WeakPolarHBondContact O-CG2 3.35Å; A135-V139 PolarHBondContact O-N 2.86Å
136F78.7Confident87.3Confident23 Ų2353 Ų5310%0.10128%0.276CS..Hα-helixtrans-57.8-45.5-179.3-168.7-93.6000111.7S132 V134 A138 V139 E140 I366 K367 F370 V371S132-F136 WeakPolarHBondContact O-CB 3.34Å; S132-F136 PolarHBondContact O-N 3.01Å; V134-F136 PolarHBondContact O-N 3.34Å; F136-A138 VanDerWaalsContact C-N 3.26Å; F136-A138 PolarHBondContact O-N 3.32Å; F136-V139 PolarHBondContact O-N 2.81Å; F136-E140 HydrophobicContact CD1-CB 4.19Å; F136-E140 HydrophobicContact CE1-CB 4.11Å; F136-E140 WeakPolarHBondContact O-CA 3.43Å; F136-E140 WeakPolarHBondContact O-CB 3.36Å; F136-E140 PolarHBondContact O-N 3.24Å; F136-I366 HydrophobicContact CE2-CB 4.35Å; F136-I366 HydrophobicContact CE2-CG2 3.52Å; F136-I366 HydrophobicContact CZ-CB 4.18Å; F136-I366 HydrophobicContact CZ-CG2 3.68Å; F136-K367 HydrophobicContact CE1-CB 3.74Å; F136-K367 HydrophobicContact CE1-CG 4.16Å; F136-K367 HydrophobicContact CZ-CB 4.32Å; F136-F370 HydrophobicContact CE2-CD1 4.27Å; F136-F370 HydrophobicContact CZ-CB 4.46Å; F136-V371 HydrophobicContact CE1-CG2 3.66Å; F136-V371 HydrophobicContact CZ-CG2 3.66Å
137K81.7Confident87.5Confident157 Ų15751 Ų5168%0.68327%0.266SS*.Hα-helixtrans-63.1-29.9177.4-172.9176.3-179.6-176.60113.4K133 V134 A135 V139K133-K137 VanDerWaalsContact O-CB 3.24Å; K133-K137 WeakPolarHBondContact O-CB 3.28Å; K133-K137 PolarHBondContact O-N 3.08Å; K133-K137 VanDerWaalsContact O-N 3.16Å; V134-K137 PolarHBondContact O-N 3.35Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-K137 PolarHBondContact O-N 2.85Å; K137-V139 VanDerWaalsContact C-N 3.34Å
138A79.3Confident87.6Confident64 Ų6451 Ų5153%0.52927%0.266SS..Hα-helixtrans-72.8-26.6179.800000113.1T106 V134 A135 F136T106-A138 HydrophobicContact CG2-CB 4.03Å; V134-A138 PolarHBondContact O-N 3.36Å; A135-A138 WeakPolarHBondContact O-CB 3.28Å; A135-A138 PolarHBondContact O-N 3.26Å; F136-A138 VanDerWaalsContact C-N 3.26Å; F136-A138 PolarHBondContact O-N 3.32Å
139V82.5Confident87.8Confident6 Ų650 Ų504%0.03626%0.26CS..Hα-helixtrans-127.19.6-172.8-62.50000114.1I104 L110 A135 F136 K137 K141 F143 F144I104-V139 HydrophobicContact CD1-CG2 4.03Å; L110-V139 HydrophobicContact CD1-CG1 3.54Å; A135-V139 WeakPolarHBondContact O-CG2 3.35Å; A135-V139 PolarHBondContact O-N 2.86Å; F136-V139 PolarHBondContact O-N 2.81Å; K137-V139 VanDerWaalsContact C-N 3.34Å; V139-K141 PolarHBondContact O-N 3.13Å; V139-F143 HydrophobicContact CB-CB 4.18Å; V139-F143 HydrophobicContact CB-CD1 4.07Å; V139-F143 HydrophobicContact CB-CG 4.1Å; V139-F143 HydrophobicContact CG1-CD1 4.01Å; V139-F143 HydrophobicContact CG1-CD2 4.32Å; V139-F143 HydrophobicContact CG1-CE1 4.28Å; V139-F143 HydrophobicContact CG1-CG 4.04Å; V139-F144 HydrophobicContact CB-CD2 4.45Å; V139-F144 HydrophobicContact CB-CE2 3.52Å; V139-F144 HydrophobicContact CB-CZ 4Å; V139-F144 HydrophobicContact CG1-CE2 4.5Å; V139-F144 HydrophobicContact CG2-CE2 3.43Å; V139-F144 VanDerWaalsContact CG2-CE2 3.43Å; V139-F144 HydrophobicContact CG2-CZ 3.83Å
140E83Confident87.9Confident39 Ų3947.7 Ų47.718%0.18224%0.244CC..SBendtrans-65.4-21.8-174.253.8173.3-14400114.5F136 I366 K367F136-E140 HydrophobicContact CD1-CB 4.19Å; F136-E140 HydrophobicContact CE1-CB 4.11Å; F136-E140 WeakPolarHBondContact O-CA 3.43Å; F136-E140 WeakPolarHBondContact O-CB 3.36Å; F136-E140 PolarHBondContact O-N 3.24Å; E140-I366 PolarHBondContact O-N 2.87Å; E140-K367 HydrophobicContact CB-CB 4.28Å
141K90.1Very high88.3Confident116 Ų11643.9 Ų43.950%0.50423%0.226SC..BIsolated β-bridgetrans-128.2135.1-176.4-69.6-177.6-175.9-168.90112.6V139 F143 I364 D365V139-K141 PolarHBondContact O-N 3.13Å; K141-F143 PolarHBondContact O-N 3.15Å; K141-I364 WeakPolarHBondContact CA-O 3.37Å; K141-D365 VanDerWaalsContact CE-OD2 3.3Å; K141-D365 WeakPolarHBondContact CE-OD2 3.24Å; K141-D365 IonicContact NZ-OD2 3.62Å
142N88.1Confident88.8Confident129 Ų12948.6 Ų48.669%0.6924%0.241SC*.SBendtrans53.420.1169.6-58.8-42000116.2I364N142-I364 PolarHBondContact N-O 2.93Å; N142-I364 VanDerWaalsContact N-O 3.07Å
143F91.9Very high89.6Confident42 Ų4249.5 Ų49.518%0.18424%0.243CC..SBendtrans-101-48.9178.1-172.5-91.8000111.8F99 L110 F120 V139 K141F99-F143 HydrophobicContact CE1-CE1 4.4Å; F99-F143 HydrophobicContact CE2-CE1 4.44Å; F99-F143 HydrophobicContact CZ-CE1 4.24Å; F99-F143 HydrophobicContact CZ-CZ 4.49Å; L110-F143 HydrophobicContact CB-CE2 4.33Å; L110-F143 HydrophobicContact CB-CZ 4.05Å; L110-F143 HydrophobicContact CD1-CZ 4.24Å; F120-F143 HydrophobicContact CD2-CD1 4.25Å; F120-F143 AromaticContact CD2-CE1 3.76Å; F120-F143 HydrophobicContact CD2-CE1 3.76Å; F120-F143 AromaticContact CD2-CZ 3.96Å; F120-F143 HydrophobicContact CD2-CZ 3.96Å; F120-F143 HydrophobicContact CE2-CE1 4.26Å; F120-F143 AromaticContact CE2-CZ 3.98Å; F120-F143 HydrophobicContact CE2-CZ 3.98Å; V139-F143 HydrophobicContact CB-CB 4.18Å; V139-F143 HydrophobicContact CB-CD1 4.07Å; V139-F143 HydrophobicContact CB-CG 4.1Å; V139-F143 HydrophobicContact CG1-CD1 4.01Å; V139-F143 HydrophobicContact CG1-CD2 4.32Å; V139-F143 HydrophobicContact CG1-CE1 4.28Å; V139-F143 HydrophobicContact CG1-CG 4.04Å; K141-F143 PolarHBondContact O-N 3.15Å
144F94.4Very high90.4Very high0 Ų041.5 Ų41.50%021%0.21CC..  trans-89.7160.2179.5-58.5-77.9000112F99 I104 F120 L122 V139 A363 I366F99-F144 HydrophobicContact CB-CE1 3.85Å; F99-F144 HydrophobicContact CB-CZ 4.3Å; F99-F144 HydrophobicContact CD2-CD1 4.3Å; F99-F144 AromaticContact CD2-CE1 3.63Å; F99-F144 HydrophobicContact CD2-CE1 3.63Å; F99-F144 HydrophobicContact CE2-CE1 4.34Å; F99-F144 AromaticContact CG-CE1 3.83Å; F99-F144 HydrophobicContact CG-CE1 3.83Å; F99-F144 HydrophobicContact CG-CZ 4.5Å; I104-F144 HydrophobicContact CD1-CZ 4.21Å; F120-F144 HydrophobicContact CB-CD1 4.1Å; L122-F144 HydrophobicContact CB-CB 4.44Å; L122-F144 HydrophobicContact CB-CD1 3.73Å; L122-F144 HydrophobicContact CB-CD2 3.89Å; L122-F144 HydrophobicContact CB-CE1 3.88Å; L122-F144 HydrophobicContact CB-CE2 3.97Å; L122-F144 HydrophobicContact CB-CG 3.74Å; L122-F144 HydrophobicContact CB-CZ 4Å; L122-F144 HydrophobicContact CD1-CD2 4.46Å; L122-F144 HydrophobicContact CD1-CE1 3.98Å; L122-F144 HydrophobicContact CD1-CE2 3.69Å; L122-F144 HydrophobicContact CD1-CZ 3.44Å; L122-F144 VanDerWaalsContact CD1-CZ 3.44Å; L122-F144 HydrophobicContact CD2-CD2 4.43Å; L122-F144 HydrophobicContact CD2-CE2 4.2Å; L122-F144 HydrophobicContact CG-CD2 4.48Å; L122-F144 HydrophobicContact CG-CE2 4.15Å; L122-F144 HydrophobicContact CG-CZ 4.22Å; V139-F144 HydrophobicContact CB-CD2 4.45Å; V139-F144 HydrophobicContact CB-CE2 3.52Å; V139-F144 HydrophobicContact CB-CZ 4Å; V139-F144 HydrophobicContact CG1-CE2 4.5Å; V139-F144 HydrophobicContact CG2-CE2 3.43Å; V139-F144 VanDerWaalsContact CG2-CE2 3.43Å; V139-F144 HydrophobicContact CG2-CZ 3.83Å; F144-A363 HydrophobicContact CB-CB 4.31Å; F144-I366 HydrophobicContact CB-CD1 4.08Å; F144-I366 HydrophobicContact CD2-CD1 3.32Å; F144-I366 HydrophobicContact CE2-CD1 4.05Å; F144-I366 HydrophobicContact CG-CD1 4.01Å
145T96.8Very high91.2Very high1 Ų139.1 Ų39.11%0.00619%0.193CC..SBendtrans-116.7-19173.858.60000113R114 H119 F120 I357 P359 S360 A363R114-T145 VanDerWaalsContact CZ-CG2 3.45Å; H119-T145 VanDerWaalsContact CA-OG1 3.24Å; H119-T145 WeakPolarHBondContact CA-OG1 3.27Å; H119-T145 WeakPolarHBondContact CB-OG1 3.3Å; H119-T145 PolarHBondContact ND1-OG1 3.09Å; F120-T145 PolarHBondContact N-OG1 2.9Å; F120-T145 PolarHBondContact O-N 3.47Å; F120-T145 PolarHBondContact O-OG1 3.25Å; T145-I357 HydrophobicContact CG2-CD1 3.33Å; T145-P359 HydrophobicContact CG2-CB 4.22Å; T145-P359 HydrophobicContact CG2-CG 3.86Å; T145-S360 PolarHBondContact O-N 3.04Å; T145-A363 WeakPolarHBondContact O-CB 3.42Å
146L97.9Very high92.4Very high3 Ų339.1 Ų39.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-137.2151.5173-63173.6000111.7H119 F120 V121 L122 D155 L344 K347H119-L146 HydrophobicContact CB-CD1 4.04Å; H119-L146 WeakPolarHBondContact ND1-CD1 3.43Å; H119-L146 WeakPolarHBondContact ND1-CG 2.98Å; F120-L146 PolarHBondContact O-N 2.98Å; F120-L146 VanDerWaalsContact O-N 3.16Å; V121-L146 WeakPolarHBondContact CA-O 3.48Å; V121-L146 HydrophobicContact CG1-CB 4.24Å; V121-L146 HydrophobicContact CG2-CB 4.22Å; V121-L146 HydrophobicContact CG2-CD1 4.38Å; L122-L146 PolarHBondContact N-O 3.44Å; L146-D155 HydrophobicContact CB-CB 4.42Å; L146-D155 HydrophobicContact CD2-CB 3.87Å; L146-L344 HydrophobicContact CD1-CD1 4.14Å; L146-K347 HydrophobicContact CD1-CD 3.85Å; L146-K347 HydrophobicContact CD2-CD 4.17Å
147T97.4Very high93.3Very high0 Ų040.6 Ų40.60%020%0.2CC..EExtended strand (participates in β ladder)trans-110.4132.3172.656.70000109.9D155 I156 N362 A363 I366 W369T147-D155 PolarHBondContact N-OD2 3.28Å; T147-D155 WeakPolarHBondContact O-CB 3.43Å; T147-D155 PolarHBondContact O-N 2.84Å; T147-D155 VanDerWaalsContact O-N 3.16Å; T147-D155 PolarHBondContact OG1-N 2.63Å; T147-D155 VanDerWaalsContact OG1-N 3.08Å; T147-D155 PolarHBondContact OG1-OD2 3.06Å; T147-I156 PolarHBondContact O-N 3.22Å; T147-N362 HydrophobicContact CG2-CB 4.04Å; T147-A363 HydrophobicContact CG2-CB 4.12Å; T147-I366 HydrophobicContact CG2-CD1 4.42Å; T147-I366 HydrophobicContact CG2-CG1 4.44Å; T147-W369 HydrophobicContact CG2-CE3 3.71Å; T147-W369 HydrophobicContact CG2-CH2 4.08Å; T147-W369 HydrophobicContact CG2-CZ3 3.37Å
148M98.1Very high94Very high0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-124.2116.8174-179.6173.5166.600108.7V121 L122 L123 L124 I156 S158 I337 M341V121-M148 HydrophobicContact CG1-CB 3.82Å; L122-M148 PolarHBondContact O-N 3.48Å; L123-M148 CarbonylContact C-O 3.53Å; L123-M148 VanDerWaalsContact CA-O 3.31Å; L123-M148 WeakPolarHBondContact CA-O 3.49Å; L123-M148 HydrophobicContact CD1-CB 4.22Å; L123-M148 HydrophobicContact CD1-CE 3.99Å; L123-M148 HydrophobicContact CD1-CG 3.72Å; L123-M148 HydrophobicContact CD1-SD 4.02Å; L124-M148 PolarHBondContact N-O 3.3Å; M148-I156 VanDerWaalsContact CA-O 3.23Å; M148-I156 WeakPolarHBondContact CA-O 3.43Å; M148-I156 HydrophobicContact CB-CB 3.93Å; M148-I156 HydrophobicContact CB-CG2 4.28Å; M148-I156 HydrophobicContact CG-CB 3.93Å; M148-I156 HydrophobicContact CG-CG2 3.73Å; M148-I156 HydrophobicContact SD-CG2 3.98Å; M148-S158 WeakPolarHBondContact CE-OG 3.15Å; M148-I337 HydrophobicContact CE-CG2 4.2Å; M148-M341 HydrophobicContact CE-CG 4.16Å; M148-M341 HydrophobicContact CE-SD 3.92Å; M148-M341 HydrophobicContact SD-SD 4.23Å
149S96.8Very high94.9Very high0 Ų030.6 Ų30.60%015%0.146CC..EExtended strand (participates in β ladder)trans-158.5173.7-176.579.70000114.2L124 R151 S154 I156 S158 W369L124-S149 WeakPolarHBondContact O-CA 3.24Å; L124-S149 WeakPolarHBondContact O-CB 3.47Å; S149-R151 PolarHBondContact O-N 2.87Å; S149-R151 WeakPolarHBondContact OG-CB 3.26Å; S149-R151 PolarHBondContact OG-N 3Å; S149-R151 VanDerWaalsContact OG-N 3.08Å; S149-S154 PolarHBondContact O-OG 2.79Å; S149-S154 WeakPolarHBondContact OG-CB 3.25Å; S149-I156 PolarHBondContact N-O 3.28Å; S149-I156 VanDerWaalsContact N-O 3.15Å; S149-S158 CarbonylContact C-O 3.6Å; S149-S158 PolarHBondContact O-N 2.87Å; S149-W369 WeakPolarHBondContact OG-CH2 3.33Å
150Y96.9Very high95.5Very high4 Ų430.5 Ų30.52%0.01615%0.145CC..SBendtrans-66.4-11170.671-98000113.6M125 P127 F157 S158 E258 D259 Y260 F370M125-Y150 VanDerWaalsContact O-CD1 3.27Å; M125-Y150 WeakPolarHBondContact O-CD1 3.45Å; P127-Y150 WeakPolarHBondContact CA-OH 3.37Å; Y150-F157 VanDerWaalsContact O-CE2 3.22Å; Y150-F157 WeakPolarHBondContact O-CE2 3.47Å; Y150-S158 WeakPolarHBondContact CA-O 3.41Å; Y150-S158 PolarHBondContact N-O 3.27Å; Y150-E258 WeakPolarHBondContact CE2-O 3.49Å; Y150-D259 HydrophobicContact CD2-CB 4.42Å; Y150-Y260 AromaticContact CD1-CD2 3.89Å; Y150-Y260 HydrophobicContact CD1-CD2 3.89Å; Y150-Y260 HydrophobicContact CD1-CE2 4.3Å; Y150-Y260 AromaticContact CD2-CD2 3.94Å; Y150-Y260 HydrophobicContact CD2-CD2 3.94Å; Y150-Y260 AromaticContact CE1-CD2 3.64Å; Y150-Y260 HydrophobicContact CE1-CD2 3.64Å; Y150-Y260 HydrophobicContact CE1-CE2 4.14Å; Y150-Y260 AromaticContact CE2-CD2 3.73Å; Y150-Y260 HydrophobicContact CE2-CD2 3.73Å; Y150-Y260 HydrophobicContact CE2-CG 4.16Å; Y150-Y260 HydrophobicContact CG-CD2 4.04Å; Y150-Y260 AromaticContact CZ-CD2 3.57Å; Y150-F370 HydrophobicContact CE1-CE2 4.03Å; Y150-F370 AromaticContact CE1-CZ 3.83Å; Y150-F370 HydrophobicContact CE1-CZ 3.83Å
151R97.1Very high96.1Very high2 Ų228.8 Ų28.81%0.00814%0.137CC..SBendtrans-76.5134.9177.2-72-178.358.8130.210.7110.1S149 D153 S154 F157 E258 W369 F370 R373S149-R151 PolarHBondContact O-N 2.87Å; S149-R151 WeakPolarHBondContact OG-CB 3.26Å; S149-R151 PolarHBondContact OG-N 3Å; S149-R151 VanDerWaalsContact OG-N 3.08Å; R151-D153 WeakPolarHBondContact CB-OD1 3.27Å; R151-D153 IonicContact CZ-OD1 3.49Å; R151-D153 IonicContact CZ-OD2 3.94Å; R151-D153 IonicContact NE-OD1 2.72Å; R151-D153 PolarHBondContact NE-OD1 3.35Å; R151-D153 IonicContact NE-OD2 3.25Å; R151-D153 IonicContact NH2-OD1 3.32Å; R151-D153 PolarHBondContact NH2-OD1 3.16Å; R151-D153 IonicContact NH2-OD2 3.4Å; R151-D153 PolarHBondContact NH2-OD2 3.46Å; R151-D153 PolarHBondContact O-N 2.95Å; R151-S154 WeakPolarHBondContact O-CB 3.45Å; R151-S154 PolarHBondContact O-N 3.39Å; R151-S154 VanDerWaalsContact O-N 3.16Å; R151-S154 PolarHBondContact O-OG 2.86Å; R151-F157 WeakPolarHBondContact O-CD2 3.4Å; R151-E258 IonicContact NH2-OE2 2.66Å; R151-E258 PolarHBondContact NH2-OE2 2.73Å; R151-W369 HydrophobicContact CB-CZ2 4.1Å; R151-W369 PolarHBondContact NH1-O 3.49Å; R151-F370 HydrophobicContact CG-CD2 4.4Å; R151-F370 HydrophobicContact CG-CE2 4.1Å; R151-F370 PolarHBondContact NH1-O 2.98Å; R151-R373 VanDerWaalsContact NH1-C 3.33Å; R151-R373 PolarHBondContact NH1-O 3.16Å; R151-R373 PolarHBondContact NH2-O 2.99Å
152R97.1Very high96.4Very high113 Ų11325.8 Ų25.843%0.42612%0.123SC..THydrogen-bonded Turntrans-66.5-20.8-179.7-67.8178.7-70.2153.2-0113.4F157 D259 L286R152-F157 HydrophobicContact CG-CD2 4.37Å; R152-F157 HydrophobicContact CG-CE1 4.21Å; R152-F157 HydrophobicContact CG-CE2 3.83Å; R152-F157 HydrophobicContact CG-CZ 3.73Å; R152-D259 VanDerWaalsContact CB-OD2 3.32Å; R152-D259 WeakPolarHBondContact CB-OD2 3.33Å; R152-D259 WeakPolarHBondContact CG-OD2 3.01Å; R152-D259 IonicContact CZ-OD1 3.9Å; R152-D259 IonicContact CZ-OD2 3.2Å; R152-D259 PolarHBondContact N-OD2 2.94Å; R152-D259 IonicContact NE-OD1 2.85Å; R152-D259 PolarHBondContact NE-OD1 3.42Å; R152-D259 IonicContact NE-OD2 2.84Å; R152-D259 PolarHBondContact NE-OD2 3.18Å; R152-D259 IonicContact NH2-OD1 3.68Å; R152-D259 PolarHBondContact NH2-OD1 2.81Å; R152-D259 IonicContact NH2-OD2 2.73Å; R152-L286 HydrophobicContact CG-CD2 4.18Å
153D96.9Very high96.8Very high59 Ų5921.3 Ų21.332%0.31610%0.098SC..THydrogen-bonded Turntrans-95.611178.474.1-19000114R151 N362 W369 R373R151-D153 WeakPolarHBondContact CB-OD1 3.27Å; R151-D153 IonicContact CZ-OD1 3.49Å; R151-D153 IonicContact CZ-OD2 3.94Å; R151-D153 IonicContact NE-OD1 2.72Å; R151-D153 PolarHBondContact NE-OD1 3.35Å; R151-D153 IonicContact NE-OD2 3.25Å; R151-D153 IonicContact NH2-OD1 3.32Å; R151-D153 PolarHBondContact NH2-OD1 3.16Å; R151-D153 IonicContact NH2-OD2 3.4Å; R151-D153 PolarHBondContact NH2-OD2 3.46Å; R151-D153 PolarHBondContact O-N 2.95Å; D153-N362 PolarHBondContact O-ND2 2.79Å; D153-W369 VanDerWaalsContact CG-NE1 3.26Å; D153-W369 PolarHBondContact OD1-NE1 3.45Å; D153-W369 PolarHBondContact OD2-NE1 2.99Å; D153-R373 IonicContact OD2-NH1 2.78Å
154S98Very high97Very high13 Ų1325 Ų259%0.09111%0.11CC..SBendtrans-69.1160.2168.457.30000111.6S149 R151 I156 F157 W369S149-S154 PolarHBondContact O-OG 2.79Å; S149-S154 WeakPolarHBondContact OG-CB 3.25Å; R151-S154 WeakPolarHBondContact O-CB 3.45Å; R151-S154 PolarHBondContact O-N 3.39Å; R151-S154 VanDerWaalsContact O-N 3.16Å; R151-S154 PolarHBondContact O-OG 2.86Å; S154-I156 PolarHBondContact O-N 3.27Å; S154-I156 VanDerWaalsContact OG-C 3.27Å; S154-I156 PolarHBondContact OG-O 3.44Å; S154-I156 VanDerWaalsContact OG-O 3.06Å; S154-F157 WeakPolarHBondContact OG-CA 3.16Å; S154-F157 PolarHBondContact OG-N 2.83Å; S154-W369 VanDerWaalsContact CA-CZ2 3.48Å
155D98.3Very high97.1Very high48 Ų4831 Ų3126%0.25714%0.142SC..SBendtrans-64.8-35.6176.3-55.7-63.3000111.4L146 T147 S360L146-D155 HydrophobicContact CB-CB 4.42Å; L146-D155 HydrophobicContact CD2-CB 3.87Å; T147-D155 PolarHBondContact N-OD2 3.28Å; T147-D155 WeakPolarHBondContact O-CB 3.43Å; T147-D155 PolarHBondContact O-N 2.84Å; T147-D155 VanDerWaalsContact O-N 3.16Å; T147-D155 PolarHBondContact OG1-N 2.63Å; T147-D155 VanDerWaalsContact OG1-N 3.08Å; T147-D155 PolarHBondContact OG1-OD2 3.06Å; D155-S360 VanDerWaalsContact CG-CB 3.44Å; D155-S360 WeakPolarHBondContact OD1-CB 3.37Å; D155-S360 PolarHBondContact OD1-OG 3.26Å; D155-S360 WeakPolarHBondContact OD2-CB 3.25Å; D155-S360 PolarHBondContact OD2-OG 2.93Å
156I98.6Very high97.1Very high3 Ų333.6 Ų33.62%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-125101.3174.2-56.3-62.5000109T147 M148 S149 S154 S158 G340 M343 L344 K347T147-I156 PolarHBondContact O-N 3.22Å; M148-I156 VanDerWaalsContact CA-O 3.23Å; M148-I156 WeakPolarHBondContact CA-O 3.43Å; M148-I156 HydrophobicContact CB-CB 3.93Å; M148-I156 HydrophobicContact CB-CG2 4.28Å; M148-I156 HydrophobicContact CG-CB 3.93Å; M148-I156 HydrophobicContact CG-CG2 3.73Å; M148-I156 HydrophobicContact SD-CG2 3.98Å; S149-I156 PolarHBondContact N-O 3.28Å; S149-I156 VanDerWaalsContact N-O 3.15Å; S154-I156 PolarHBondContact O-N 3.27Å; S154-I156 VanDerWaalsContact OG-C 3.27Å; S154-I156 PolarHBondContact OG-O 3.44Å; S154-I156 VanDerWaalsContact OG-O 3.06Å; I156-S158 PolarHBondContact O-N 3.08Å; I156-G340 WeakPolarHBondContact CG2-O 3.46Å; I156-M343 HydrophobicContact CD1-CB 4.36Å; I156-M343 HydrophobicContact CG2-CB 4.04Å; I156-L344 HydrophobicContact CD1-CB 4.38Å; I156-L344 HydrophobicContact CG1-CB 4.39Å; I156-L344 HydrophobicContact CG1-CD1 4.41Å; I156-L344 HydrophobicContact CG2-CB 4.36Å; I156-K347 HydrophobicContact CD1-CB 4.26Å; I156-K347 HydrophobicContact CD1-CD 3.88Å
157F98.2Very high97Very high53 Ų5342.9 Ų42.923%0.23220%0.195CC..EExtended strand (participates in β ladder)trans-70.8121.9176.4178.4-135.3000111.2Y150 R151 R152 S154 P159 L286 M343Y150-F157 VanDerWaalsContact O-CE2 3.22Å; Y150-F157 WeakPolarHBondContact O-CE2 3.47Å; R151-F157 WeakPolarHBondContact O-CD2 3.4Å; R152-F157 HydrophobicContact CG-CD2 4.37Å; R152-F157 HydrophobicContact CG-CE1 4.21Å; R152-F157 HydrophobicContact CG-CE2 3.83Å; R152-F157 HydrophobicContact CG-CZ 3.73Å; S154-F157 WeakPolarHBondContact OG-CA 3.16Å; S154-F157 PolarHBondContact OG-N 2.83Å; F157-P159 HydrophobicContact CD1-CG 4.45Å; F157-P159 HydrophobicContact CE1-CB 4.28Å; F157-P159 HydrophobicContact CE1-CG 3.85Å; F157-P159 HydrophobicContact CE2-CB 3.72Å; F157-P159 HydrophobicContact CE2-CG 4.03Å; F157-P159 HydrophobicContact CZ-CB 3.54Å; F157-P159 HydrophobicContact CZ-CG 3.63Å; F157-L286 HydrophobicContact CZ-CD2 4.15Å; F157-M343 HydrophobicContact CB-CE 4.4Å
158S97.6Very high97Very high0 Ų051.3 Ų51.30%023%0.231CC..  trans-134.276.5-176.9178.70000109.7M148 S149 Y150 I156 G336 I337M148-S158 WeakPolarHBondContact CE-OG 3.15Å; S149-S158 CarbonylContact C-O 3.6Å; S149-S158 PolarHBondContact O-N 2.87Å; Y150-S158 WeakPolarHBondContact CA-O 3.41Å; Y150-S158 PolarHBondContact N-O 3.27Å; I156-S158 PolarHBondContact O-N 3.08Å; S158-G336 PolarHBondContact OG-O 2.58Å; S158-I337 WeakPolarHBondContact OG-CA 3.24Å
159P97.2Very high96.8Very high12 Ų1255.2 Ų55.28%0.07826%0.257CS..  trans-68.3169.7-179.328.5-33.2000112F157 G161 Y162 G336F157-P159 HydrophobicContact CD1-CG 4.45Å; F157-P159 HydrophobicContact CE1-CB 4.28Å; F157-P159 HydrophobicContact CE1-CG 3.85Å; F157-P159 HydrophobicContact CE2-CB 3.72Å; F157-P159 HydrophobicContact CE2-CG 4.03Å; F157-P159 HydrophobicContact CZ-CB 3.54Å; F157-P159 HydrophobicContact CZ-CG 3.63Å; P159-G161 VanDerWaalsContact C-N 3.35Å; P159-G161 WeakPolarHBondContact CB-O 3.31Å; P159-Y162 HydrophobicContact CG-CD1 4.48Å; P159-G336 CarbonylContact O-C 3.58Å; P159-G336 VanDerWaalsContact O-C 3.28Å; P159-G336 WeakPolarHBondContact O-CA 3.46Å
160Y94.9Very high96.8Very high4 Ų459.1 Ų59.12%0.01628%0.277CS..SBendtrans-72.2-31.3171-79-97.8000112.5M125 Y260 T262 E263 F333M125-Y160 HydrophobicContact CE-CD1 4.28Å; M125-Y160 HydrophobicContact CE-CD2 3.81Å; M125-Y160 HydrophobicContact CE-CE1 4.12Å; M125-Y160 HydrophobicContact CE-CE2 3.62Å; M125-Y160 HydrophobicContact CE-CG 4.15Å; M125-Y160 PolarHBondContact O-OH 3.43Å; Y160-Y260 HydrophobicContact CE2-CE2 4.07Å; Y160-T262 HydrophobicContact CD2-CG2 4.1Å; Y160-T262 HydrophobicContact CE2-CG2 3.9Å; Y160-T262 HydrophobicContact CG-CG2 4.49Å; Y160-E263 HydrophobicContact CD1-CB 4.32Å; Y160-E263 WeakPolarHBondContact CD1-OE2 3.1Å; Y160-E263 WeakPolarHBondContact CE1-OE2 3.06Å; Y160-F333 AromaticContact CD1-CD2 3.66Å; Y160-F333 HydrophobicContact CD1-CD2 3.66Å; Y160-F333 HydrophobicContact CD1-CE2 4.03Å; Y160-F333 HydrophobicContact CE1-CD2 4.37Å; Y160-F333 HydrophobicContact CE1-CE2 4.3Å; Y160-F333 HydrophobicContact CG-CD2 4.49Å; Y160-F333 WeakPolarHBondContact O-CA 3.19Å; Y160-F333 WeakPolarHBondContact O-CB 3.4Å; Y160-F333 PolarHBondContact O-N 3.43Å
161G95.3Very high96.6Very high3 Ų368.6 Ų68.63%0.03132%0.318CS..  trans-163.1171.1174.700000110.8P159 F266 A331P159-G161 VanDerWaalsContact C-N 3.35Å; P159-G161 WeakPolarHBondContact CB-O 3.31Å; G161-F266 VanDerWaalsContact C-CE1 3.49Å; G161-F266 WeakPolarHBondContact O-CE1 3.33Å; G161-F266 WeakPolarHBondContact O-CZ 3.49Å; G161-A331 CarbonylContact C-O 3.43Å; G161-A331 WeakPolarHBondContact CA-O 3.35Å
162Y96.9Very high96.5Very high52 Ų5270.4 Ų70.420%0.20433%0.33CS..EExtended strand (participates in β ladder)trans-155.8173.7-178.960.5-84.4000111.4P159 R164 A331 K335 A339P159-Y162 HydrophobicContact CG-CD1 4.48Å; Y162-R164 HydrophobicContact CD2-CG 4.06Å; Y162-R164 HydrophobicContact CE2-CG 3.66Å; Y162-R164 VanDerWaalsContact CE2-NE 3.34Å; Y162-R164 PolarHBondContact OH-NE 3.44Å; Y162-R164 PolarHBondContact OH-NH2 2.92Å; Y162-A331 HydrophobicContact CD1-CB 4.01Å; Y162-A331 HydrophobicContact CD2-CB 4.15Å; Y162-A331 HydrophobicContact CE1-CB 3.76Å; Y162-A331 HydrophobicContact CE2-CB 3.92Å; Y162-A331 HydrophobicContact CG-CB 4.2Å; Y162-A331 PolarHBondContact N-O 3.26Å; Y162-A331 VanDerWaalsContact N-O 3.07Å; Y162-A331 PolarHBondContact O-N 3.06Å; Y162-K335 HydrophobicContact CE1-CB 4.04Å; Y162-K335 WeakPolarHBondContact CE1-O 3.48Å; Y162-A339 HydrophobicContact CE1-CB 4.12Å
163F97.2Very high96.4Very high35 Ų3569 Ų6915%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-110142.2178.1-61.9-94.8000110.6F266 L269 L286 L287 P288 W324 Y328 E329 V330F163-F266 HydrophobicContact CD2-CE1 4.38Å; F163-F266 HydrophobicContact CE2-CD1 4.25Å; F163-F266 AromaticContact CE2-CE1 3.74Å; F163-F266 HydrophobicContact CE2-CE1 3.74Å; F163-F266 HydrophobicContact CZ-CE1 4.43Å; F163-L269 HydrophobicContact CE1-CD1 4.03Å; F163-L269 HydrophobicContact CE2-CD1 4.44Å; F163-L269 HydrophobicContact CZ-CD1 3.46Å; F163-L269 VanDerWaalsContact CZ-CD1 3.46Å; F163-L286 WeakPolarHBondContact CD2-O 3.45Å; F163-L286 WeakPolarHBondContact CE2-O 3.32Å; F163-L287 HydrophobicContact CE2-CB 4.45Å; F163-L287 HydrophobicContact CE2-CG 4.2Å; F163-L287 HydrophobicContact CZ-CG 4.38Å; F163-P288 HydrophobicContact CD1-CG 3.62Å; F163-P288 HydrophobicContact CD2-CG 4.14Å; F163-P288 VanDerWaalsContact CE1-CD 3.49Å; F163-P288 HydrophobicContact CE1-CG 3.69Å; F163-P288 HydrophobicContact CE2-CG 4.23Å; F163-P288 HydrophobicContact CG-CG 3.83Å; F163-P288 HydrophobicContact CZ-CG 3.98Å; F163-W324 HydrophobicContact CD1-CE3 4.28Å; F163-W324 AromaticContact CD1-CZ3 3.87Å; F163-W324 HydrophobicContact CD1-CZ3 3.87Å; F163-W324 HydrophobicContact CE1-CE3 4.07Å; F163-W324 AromaticContact CE1-CH2 3.9Å; F163-W324 HydrophobicContact CE1-CH2 3.9Å; F163-W324 AromaticContact CE1-CZ3 3.6Å; F163-W324 HydrophobicContact CE1-CZ3 3.6Å; F163-Y328 HydrophobicContact CB-CD1 4.08Å; F163-Y328 HydrophobicContact CB-CG 4.47Å; F163-E329 CarbonylContact C-O 3.44Å; F163-E329 VanDerWaalsContact CA-O 3.28Å; F163-E329 WeakPolarHBondContact CA-O 3.4Å; F163-V330 HydrophobicContact CD1-CB 4.36Å; F163-V330 HydrophobicContact CE1-CB 4.27Å; F163-V330 HydrophobicContact CE1-CG2 4.41Å
164R95.9Very high96.3Very high120 Ų12073.2 Ų73.245%0.45335%0.346SS..EExtended strand (participates in β ladder)trans-113.9141.7171.6-62.9177.7-179-170.5-6.2108.6Y162 Y328 E329Y162-R164 HydrophobicContact CD2-CG 4.06Å; Y162-R164 HydrophobicContact CE2-CG 3.66Å; Y162-R164 VanDerWaalsContact CE2-NE 3.34Å; Y162-R164 PolarHBondContact OH-NE 3.44Å; Y162-R164 PolarHBondContact OH-NH2 2.92Å; R164-Y328 CarbonylContact O-C 3.55Å; R164-Y328 WeakPolarHBondContact O-CA 3.43Å; R164-E329 PolarHBondContact N-O 3.14Å; R164-E329 PolarHBondContact O-N 3.33Å
165L97Very high96.3Very high126 Ų12675.8 Ų75.866%0.6637%0.368SS*.EExtended strand (participates in β ladder)trans-66.9135.4167.9-74.3167.2000108.7Y328L165-Y328 HydrophobicContact CD2-CD1 3.82Å; L165-Y328 HydrophobicContact CD2-CE1 3.32Å; L165-Y328 HydrophobicContact CG-CD1 4.3Å; L165-Y328 HydrophobicContact CG-CE1 3.95Å
166R96.8Very high96.2Very high55 Ų5576.1 Ų76.121%0.20837%0.371CS..  trans-68.4137.2169.4-69177.8175.4-71.2-9.3109K168 K325 F327 Y328 E329R166-K168 WeakPolarHBondContact CB-O 3.28Å; R166-K168 PolarHBondContact O-N 3.21Å; R166-K325 PolarHBondContact NE-O 3.28Å; R166-F327 PolarHBondContact N-O 2.8Å; R166-Y328 PolarHBondContact NE-O 3.02Å; R166-E329 HydrophobicContact CG-CG 3.8Å; R166-E329 IonicContact CZ-OE1 2.76Å; R166-E329 IonicContact NH1-OE1 3.9Å; R166-E329 PolarHBondContact NH1-OE1 3.03Å; R166-E329 VanDerWaalsContact NH2-CG 3.34Å; R166-E329 IonicContact NH2-OE1 3.81Å
167E95.8Very high96.1Very high198 Ų19877.6 Ų77.693%0.92538%0.377SS*.SBendtrans-59.9-39.1170.8-65.1-178.8178.300111.5
168K95.7Very high96Very high177 Ų17781.3 Ų81.377%0.7739%0.389SS*.SBendtrans-124.1126.9174.3-66.9-179.7-176.8174.50109.9R166 L170R166-K168 WeakPolarHBondContact CB-O 3.28Å; R166-K168 PolarHBondContact O-N 3.21Å; K168-L170 PolarHBondContact O-N 3.28Å
169P95.6Very high96Very high83 Ų8390 Ų9054%0.53942%0.422SS..  trans-57.5132.5176.1-26.434.5000112.4K171 G326P169-K171 PolarHBondContact O-N 3.23Å; P169-G326 CarbonylContact C-O 3.6Å; P169-G326 WeakPolarHBondContact CA-O 3.31Å
170L94.7Very high95.8Very high82 Ų8290.9 Ų90.943%0.42943%0.426SS..  trans-77.4114.8177177.666.9000110.2K168 T172 G326K168-L170 PolarHBondContact O-N 3.28Å; L170-T172 PolarHBondContact O-N 3.35Å; L170-G326 PolarHBondContact N-O 3.06Å
171K93.7Very high95.9Very high202 Ų20290.7 Ų90.788%0.87843%0.425SS*.  trans-91.688.6176.9-64.9-176.9-178.7179.70110.7P169P169-K171 PolarHBondContact O-N 3.23Å
172T95.2Very high95.9Very high41 Ų4195.6 Ų95.625%0.25245%0.45SS..  trans-94.2130.2173.6-56.60000110.5L170 V176 W177L170-T172 PolarHBondContact O-N 3.35Å; T172-V176 HydrophobicContact CG2-CB 3.79Å; T172-V176 HydrophobicContact CG2-CG1 3.62Å; T172-W177 VanDerWaalsContact CB-CE2 3.47Å; T172-W177 VanDerWaalsContact CB-CZ2 3.48Å; T172-W177 HydrophobicContact CG2-CD2 3.76Å; T172-W177 HydrophobicContact CG2-CE3 4.35Å; T172-W177 HydrophobicContact CG2-CG 4.14Å; T172-W177 HydrophobicContact CG2-CH2 4.15Å; T172-W177 HydrophobicContact CG2-CZ2 3.57Å
173T95.5Very high95.8Very high84 Ų8496.7 Ų96.752%0.51547%0.465SS..  trans-72152.3-177.7700000111.8A175 V176 W177T173-A175 PolarHBondContact O-N 3.48Å; T173-V176 PolarHBondContact O-N 2.96Å; T173-V176 VanDerWaalsContact O-N 3.11Å; T173-V176 WeakPolarHBondContact OG1-CG2 3.28Å; T173-V176 PolarHBondContact OG1-N 3.32Å; T173-W177 PolarHBondContact O-N 3.16Å; T173-W177 VanDerWaalsContact O-N 3.13Å
174R94.4Very high95.7Very high147 Ų14796 Ų9656%0.55546%0.462SS*.Hα-helixtrans-57.2-33.6174.8-175.2177.2178.8-178.90.1112.3W177 R178 W315 E316R174-W177 PolarHBondContact O-N 3.32Å; R174-R178 WeakPolarHBondContact O-CB 3.18Å; R174-R178 PolarHBondContact O-N 2.71Å; R174-W315 HydrophobicContact CG-CH2 3.76Å; R174-W315 HydrophobicContact CG-CZ3 4.08Å; R174-E316 IonicContact CZ-OE1 3.23Å; R174-E316 IonicContact NH2-OE1 2.63Å; R174-E316 PolarHBondContact NH2-OE1 3.17Å; R174-E316 IonicContact NH2-OE2 2.81Å; R174-E316 PolarHBondContact NH2-OE2 2.7Å
175A97.1Very high95.7Very high67 Ų6794.9 Ų94.955%0.55447%0.473SS*.Hα-helixtrans-65-40177.100000112.5T173 R178 R179T173-A175 PolarHBondContact O-N 3.48Å; A175-R178 PolarHBondContact O-N 3.35Å; A175-R179 PolarHBondContact O-N 2.61Å
176V96.8Very high95.7Very high55 Ų5592.4 Ų92.433%0.33346%0.457SS..Hα-helixtrans-65.7-46.8174.61720000110.3T172 T173 R178 R179 I180T172-V176 HydrophobicContact CG2-CB 3.79Å; T172-V176 HydrophobicContact CG2-CG1 3.62Å; T173-V176 PolarHBondContact O-N 2.96Å; T173-V176 VanDerWaalsContact O-N 3.11Å; T173-V176 WeakPolarHBondContact OG1-CG2 3.28Å; T173-V176 PolarHBondContact OG1-N 3.32Å; V176-R178 VanDerWaalsContact C-N 3.33Å; V176-R178 PolarHBondContact O-N 3.46Å; V176-R179 WeakPolarHBondContact O-CB 3.49Å; V176-R179 PolarHBondContact O-N 3.27Å; V176-I180 HydrophobicContact CG1-CD1 3.88Å; V176-I180 WeakPolarHBondContact O-CG1 3.37Å; V176-I180 PolarHBondContact O-N 3.28Å
177W95.7Very high95.7Very high34 Ų3491.9 Ų91.913%0.12946%0.457CS..Hα-helixtrans-61.3-40.4176.7-70.2133.4000113.1T172 T173 R174 R179 I180 A181 H272 I319 Y322 K325T172-W177 VanDerWaalsContact CB-CE2 3.47Å; T172-W177 VanDerWaalsContact CB-CZ2 3.48Å; T172-W177 HydrophobicContact CG2-CD2 3.76Å; T172-W177 HydrophobicContact CG2-CE3 4.35Å; T172-W177 HydrophobicContact CG2-CG 4.14Å; T172-W177 HydrophobicContact CG2-CH2 4.15Å; T172-W177 HydrophobicContact CG2-CZ2 3.57Å; T173-W177 PolarHBondContact O-N 3.16Å; T173-W177 VanDerWaalsContact O-N 3.13Å; R174-W177 PolarHBondContact O-N 3.32Å; W177-R179 VanDerWaalsContact C-N 3.35Å; W177-R179 PolarHBondContact O-N 2.73Å; W177-I180 HydrophobicContact CE3-CD1 3.8Å; W177-I180 HydrophobicContact CZ3-CD1 3.79Å; W177-I180 PolarHBondContact O-N 3.48Å; W177-A181 VanDerWaalsContact O-CB 3.3Å; W177-A181 WeakPolarHBondContact O-CB 3.49Å; W177-A181 PolarHBondContact O-N 3.23Å; W177-H272 AromaticContact CZ3-CE1 3.77Å; W177-H272 AromaticContact CZ3-ND1 3.59Å; W177-I319 HydrophobicContact CB-CB 4.26Å; W177-I319 HydrophobicContact CB-CD1 3.95Å; W177-I319 HydrophobicContact CB-CG2 3.98Å; W177-Y322 HydrophobicContact CD2-CD2 4.19Å; W177-Y322 AromaticContact CE3-CD2 3.57Å; W177-Y322 HydrophobicContact CE3-CD2 3.57Å; W177-Y322 HydrophobicContact CE3-CE2 4.23Å; W177-Y322 HydrophobicContact CE3-CG 4.37Å; W177-Y322 AromaticContact CZ3-CD2 3.89Å; W177-Y322 HydrophobicContact CZ3-CD2 3.89Å; W177-Y322 HydrophobicContact CZ3-CG 4.37Å; W177-K325 HydrophobicContact CH2-CB 4.5Å; W177-K325 HydrophobicContact CH2-CD 3.95Å; W177-K325 HydrophobicContact CZ3-CD 4.48Å
178R96.6Very high95.8Very high131 Ų13182.5 Ų82.549%0.49441%0.414SS..Hα-helixtrans-58.1-47.3173.7-173.9176.7178.7179.7-0.2111.2R174 A175 V176 A181 L182 W315R174-R178 WeakPolarHBondContact O-CB 3.18Å; R174-R178 PolarHBondContact O-N 2.71Å; A175-R178 PolarHBondContact O-N 3.35Å; V176-R178 VanDerWaalsContact C-N 3.33Å; V176-R178 PolarHBondContact O-N 3.46Å; R178-A181 PolarHBondContact O-N 2.9Å; R178-L182 HydrophobicContact CG-CD1 3.8Å; R178-L182 HydrophobicContact CG-CG 4.39Å; R178-L182 WeakPolarHBondContact O-CB 3.37Å; R178-L182 VanDerWaalsContact O-CG 3.27Å; R178-L182 WeakPolarHBondContact O-CG 3.32Å; R178-L182 PolarHBondContact O-N 3.01Å; R178-W315 HydrophobicContact CB-CD2 4.38Å; R178-W315 HydrophobicContact CB-CE3 3.84Å; R178-W315 HydrophobicContact CB-CH2 3.76Å; R178-W315 HydrophobicContact CB-CZ2 4.34Å; R178-W315 HydrophobicContact CB-CZ3 3.49Å; R178-W315 VanDerWaalsContact CB-CZ3 3.49Å; R178-W315 HydrophobicContact CG-CD2 3.93Å; R178-W315 HydrophobicContact CG-CE3 3.91Å; R178-W315 HydrophobicContact CG-CH2 3.89Å; R178-W315 HydrophobicContact CG-CZ2 3.95Å; R178-W315 HydrophobicContact CG-CZ3 3.88Å
179R97Very high95.9Very high183 Ų18374.2 Ų74.269%0.69138%0.378SS*.Hα-helixtrans-60-47.5178.7-172.6-174.1-61.1161.30.1111.6A175 V176 W177 L182 S183A175-R179 PolarHBondContact O-N 2.61Å; V176-R179 WeakPolarHBondContact O-CB 3.49Å; V176-R179 PolarHBondContact O-N 3.27Å; W177-R179 VanDerWaalsContact C-N 3.35Å; W177-R179 PolarHBondContact O-N 2.73Å; R179-L182 PolarHBondContact O-N 3.26Å; R179-S183 WeakPolarHBondContact O-CB 3.48Å; R179-S183 PolarHBondContact O-N 2.81Å
180I94.4Very high95.9Very high30 Ų3070.5 Ų70.515%0.15435%0.353CS..Hα-helixtrans-62.2-45.4178.2-67167.5000110.8V176 W177 L182 S183 H272 Y322V176-I180 HydrophobicContact CG1-CD1 3.88Å; V176-I180 WeakPolarHBondContact O-CG1 3.37Å; V176-I180 PolarHBondContact O-N 3.28Å; W177-I180 HydrophobicContact CE3-CD1 3.8Å; W177-I180 HydrophobicContact CZ3-CD1 3.79Å; W177-I180 PolarHBondContact O-N 3.48Å; I180-L182 VanDerWaalsContact C-N 3.31Å; I180-L182 PolarHBondContact O-N 3.07Å; I180-S183 PolarHBondContact O-N 2.95Å; I180-S183 PolarHBondContact O-OG 3.36Å; I180-H272 HydrophobicContact CG2-CB 3.64Å; I180-Y322 HydrophobicContact CG2-CE2 4.46Å
181A95.6Very high95.9Very high0 Ų068.3 Ų68.30%034%0.341CS..Hα-helixtrans-63.4-36.7-179.800000112.7W177 R178 K247 W315 Y318 I319W177-A181 VanDerWaalsContact O-CB 3.3Å; W177-A181 WeakPolarHBondContact O-CB 3.49Å; W177-A181 PolarHBondContact O-N 3.23Å; R178-A181 PolarHBondContact O-N 2.9Å; A181-K247 PolarHBondContact O-NZ 2.98Å; A181-W315 HydrophobicContact CB-CB 4.2Å; A181-Y318 HydrophobicContact CB-CD1 3.8Å; A181-Y318 HydrophobicContact CB-CE1 4.2Å; A181-I319 HydrophobicContact CB-CG2 3.68Å
182L95.7Very high95.8Very high105 Ų10558.9 Ų58.955%0.5530%0.301SS..Hα-helixtrans-85-16.6-179.3-64.6178.7000113.4R178 R179 I180 K184 W315R178-L182 HydrophobicContact CG-CD1 3.8Å; R178-L182 HydrophobicContact CG-CG 4.39Å; R178-L182 WeakPolarHBondContact O-CB 3.37Å; R178-L182 VanDerWaalsContact O-CG 3.27Å; R178-L182 WeakPolarHBondContact O-CG 3.32Å; R178-L182 PolarHBondContact O-N 3.01Å; R179-L182 PolarHBondContact O-N 3.26Å; I180-L182 VanDerWaalsContact C-N 3.31Å; I180-L182 PolarHBondContact O-N 3.07Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 2.96Å; L182-W315 HydrophobicContact CD2-CB 4.23Å
183S95.8Very high95.6Very high76 Ų7661.4 Ų61.453%0.53131%0.313SS..Hα-helixtrans-76.1-16.7176.675.40000113.5R179 I180 S185R179-S183 WeakPolarHBondContact O-CB 3.48Å; R179-S183 PolarHBondContact O-N 2.81Å; I180-S183 PolarHBondContact O-N 2.95Å; I180-S183 PolarHBondContact O-OG 3.36Å; S183-S185 PolarHBondContact O-N 2.57Å
184K95.1Very high95.4Very high19 Ų1960.5 Ų60.58%0.08331%0.31CS..  trans-78.8113.7177.9-52.1-56.6-162.9173.40109.9L182 K243 K244 D245 Y246 K247 S271 H272L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 2.96Å; K184-K243 PolarHBondContact NZ-O 2.8Å; K184-K244 WeakPolarHBondContact CD-O 3.27Å; K184-K244 PolarHBondContact NZ-O 3.08Å; K184-D245 CarbonylContact C-O 3.28Å; K184-D245 WeakPolarHBondContact CA-O 3.23Å; K184-Y246 WeakPolarHBondContact CD-O 3.23Å; K184-Y246 WeakPolarHBondContact CE-O 3.27Å; K184-Y246 WeakPolarHBondContact CG-O 3.3Å; K184-K247 HydrophobicContact CB-CG 3.61Å; K184-K247 HydrophobicContact CG-CG 4.09Å; K184-S271 PolarHBondContact NZ-O 3.38Å; K184-H272 VanDerWaalsContact CE-O 3.22Å; K184-H272 WeakPolarHBondContact CE-O 3.45Å
185S95Very high95.4Very high97 Ų9756.1 Ų56.168%0.67830%0.301SS*.  trans-89.1-17.9-177.757.80000114.2S183 D245S183-S185 PolarHBondContact O-N 2.57Å; S185-D245 PolarHBondContact N-O 2.9Å
186K97Very high95.4Very high75 Ų7558.8 Ų58.833%0.32631%0.306SS..EExtended strand (participates in β ladder)trans-115.5155.2-177.3-60.9-173.9174-166.90111.5D215 D245 Y246 K247K186-D215 IonicContact NZ-OD2 3.28Å; K186-D245 HydrophobicContact CD-CB 4.25Å; K186-D245 HydrophobicContact CG-CB 4.34Å; K186-D245 PolarHBondContact N-O 3.48Å; K186-Y246 HydrophobicContact CB-CD1 3.41Å; K186-Y246 VanDerWaalsContact CB-CD1 3.41Å; K186-Y246 HydrophobicContact CB-CD2 4.2Å; K186-Y246 HydrophobicContact CB-CE1 3.53Å; K186-Y246 HydrophobicContact CB-CE2 4.32Å; K186-Y246 HydrophobicContact CB-CG 3.79Å; K186-Y246 HydrophobicContact CD-CD1 4.28Å; K186-Y246 HydrophobicContact CD-CD2 4.28Å; K186-Y246 HydrophobicContact CD-CE1 3.61Å; K186-Y246 HydrophobicContact CD-CE2 3.64Å; K186-Y246 WeakPolarHBondContact CD-OH 3.39Å; K186-Y246 HydrophobicContact CG-CE1 4.22Å; K186-Y246 PolarHBondContact NZ-OH 3.09Å; K186-Y246 CarbonylContact O-C 3.38Å; K186-Y246 VanDerWaalsContact O-CA 3.28Å; K186-Y246 WeakPolarHBondContact O-CA 3.42Å; K186-K247 PolarHBondContact O-N 2.82Å
187I97.8Very high95.4Very high43 Ų4356.5 Ų56.522%0.22129%0.292CS..EExtended strand (participates in β ladder)trans-91.6-68-173.6-55.1-179.7000110.6M212 K247 F248 N312I187-M212 HydrophobicContact CB-CE 4.44Å; I187-M212 HydrophobicContact CG2-CE 3.61Å; I187-K247 PolarHBondContact O-N 3.48Å; I187-F248 HydrophobicContact CG2-CD2 3.92Å; I187-F248 HydrophobicContact CG2-CE2 4.26Å; I187-F248 WeakPolarHBondContact O-CD2 3.4Å; I187-F248 PolarHBondContact O-N 3.38Å; I187-N312 HydrophobicContact CD1-CB 4.3Å; I187-N312 WeakPolarHBondContact CD1-ND2 3.37Å; I187-N312 HydrophobicContact CG1-CB 4.43Å
188L98.3Very high95.4Very high2 Ų256.2 Ų56.21%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-136.2132.6-165.8-18061.6000112.1L208 M212 V214 D215 Y246 F248 L250 I276 L308L188-L208 HydrophobicContact CD2-CD2 3.86Å; L188-M212 HydrophobicContact CB-CE 3.87Å; L188-M212 HydrophobicContact CD2-CE 3.89Å; L188-M212 HydrophobicContact CD2-SD 3.92Å; L188-V214 HydrophobicContact CD2-CG1 4.33Å; L188-V214 HydrophobicContact CD2-CG2 3.96Å; L188-V214 HydrophobicContact CG-CG1 4.33Å; L188-D215 PolarHBondContact O-N 3.42Å; L188-D215 VanDerWaalsContact O-N 3.09Å; L188-Y246 VanDerWaalsContact C-CD1 3.5Å; L188-F248 HydrophobicContact CD1-CB 3.66Å; L188-L250 HydrophobicContact CD1-CD2 3.8Å; L188-L250 HydrophobicContact CD1-CG 3.88Å; L188-L250 HydrophobicContact CD2-CD1 4.48Å; L188-L250 HydrophobicContact CD2-CD2 4Å; L188-L250 HydrophobicContact CD2-CG 4.23Å; L188-L250 HydrophobicContact CG-CD2 4.39Å; L188-L250 HydrophobicContact CG-CG 4.3Å; L188-I276 HydrophobicContact CD1-CD1 3.64Å; L188-L308 HydrophobicContact CD2-CD1 4.04Å
189F97Very high95.5Very high3 Ų350 Ų501%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-122.8163.416774.6-90000112.7I191 D215 Y217 L242 Y246 F248 Y249 L250 L268 L273F189-I191 HydrophobicContact CD2-CD1 4.31Å; F189-I191 HydrophobicContact CD2-CG1 3.91Å; F189-I191 HydrophobicContact CE2-CD1 3.87Å; F189-I191 HydrophobicContact CE2-CG1 3.92Å; F189-D215 CarbonylContact C-O 3.49Å; F189-D215 VanDerWaalsContact CA-O 3.25Å; F189-D215 WeakPolarHBondContact CA-O 3.12Å; F189-D215 HydrophobicContact CB-CB 4.34Å; F189-D215 WeakPolarHBondContact CB-O 3.17Å; F189-Y217 HydrophobicContact CB-CD2 4.44Å; F189-Y217 HydrophobicContact CB-CE2 4.16Å; F189-L242 HydrophobicContact CD1-CB 4.47Å; F189-L242 HydrophobicContact CD2-CD1 3.92Å; F189-L242 HydrophobicContact CE1-CB 4.21Å; F189-L242 HydrophobicContact CE2-CB 4.49Å; F189-L242 HydrophobicContact CE2-CD1 4.1Å; F189-L242 HydrophobicContact CG-CD1 4.36Å; F189-L242 HydrophobicContact CZ-CB 4.22Å; F189-Y246 HydrophobicContact CB-CD1 3.81Å; F189-Y246 HydrophobicContact CB-CD2 4.47Å; F189-Y246 HydrophobicContact CB-CE1 3.63Å; F189-Y246 HydrophobicContact CB-CE2 4.32Å; F189-Y246 HydrophobicContact CB-CG 4.22Å; F189-Y246 AromaticContact CD1-CD1 3.83Å; F189-Y246 HydrophobicContact CD1-CD1 3.83Å; F189-Y246 AromaticContact CD1-CD2 3.71Å; F189-Y246 HydrophobicContact CD1-CD2 3.71Å; F189-Y246 HydrophobicContact CD1-CE1 4.4Å; F189-Y246 HydrophobicContact CD1-CE2 4.28Å; F189-Y246 AromaticContact CD1-CG 3.43Å; F189-Y246 HydrophobicContact CD1-CG 3.43Å; F189-Y246 VanDerWaalsContact CD1-CG 3.43Å; F189-Y246 HydrophobicContact CE1-CD2 4.3Å; F189-Y246 HydrophobicContact CE1-CG 4.2Å; F189-Y246 HydrophobicContact CG-CD1 4.32Å; F189-Y246 HydrophobicContact CG-CD2 4.42Å; F189-Y246 HydrophobicContact CG-CE1 4.49Å; F189-Y246 HydrophobicContact CG-CG 4.27Å; F189-F248 WeakPolarHBondContact CD1-O 3.5Å; F189-F248 PolarHBondContact N-O 2.85Å; F189-Y249 HydrophobicContact CE1-CG 4.42Å; F189-Y249 VanDerWaalsContact CZ-CB 3.44Å; F189-Y249 HydrophobicContact CZ-CG 4.15Å; F189-Y249 VanDerWaalsContact O-CA 3.32Å; F189-Y249 WeakPolarHBondContact O-CA 3.4Å; F189-L250 PolarHBondContact O-N 2.67Å; F189-L268 HydrophobicContact CE2-CD1 4.19Å; F189-L268 HydrophobicContact CZ-CD1 3.72Å; F189-L273 HydrophobicContact CE1-CD2 4.04Å
190W96.3Very high95.5Very high5 Ų543.4 Ų43.42%0.01925%0.248CC..EExtended strand (participates in β ladder)trans-141.9135173.5179.943000110.2A192 R201 E202 V205 V214 D215 A216 Y217 C220 L250W190-A192 HydrophobicContact CD2-CB 3.93Å; W190-A192 HydrophobicContact CE3-CB 4.27Å; W190-A192 HydrophobicContact CH2-CB 3.74Å; W190-A192 HydrophobicContact CZ2-CB 3.3Å; W190-A192 HydrophobicContact CZ3-CB 4.2Å; W190-R201 HydrophobicContact CZ2-CG 4.14Å; W190-E202 HydrophobicContact CH2-CB 4.11Å; W190-V205 HydrophobicContact CD2-CB 4.49Å; W190-V205 HydrophobicContact CD2-CG1 4.14Å; W190-V205 HydrophobicContact CD2-CG2 3.97Å; W190-V205 HydrophobicContact CE3-CB 4.06Å; W190-V205 HydrophobicContact CE3-CG1 3.51Å; W190-V205 HydrophobicContact CE3-CG2 4.05Å; W190-V205 HydrophobicContact CH2-CB 4.22Å; W190-V205 HydrophobicContact CH2-CG2 4.15Å; W190-V205 HydrophobicContact CZ2-CG2 4.09Å; W190-V205 HydrophobicContact CZ3-CB 3.91Å; W190-V205 HydrophobicContact CZ3-CG1 3.73Å; W190-V205 HydrophobicContact CZ3-CG2 4.13Å; W190-V214 HydrophobicContact CB-CG1 4.13Å; W190-D215 PolarHBondContact N-O 3.42Å; W190-A216 HydrophobicContact CE3-CB 4.11Å; W190-A216 CarbonylContact O-C 3.39Å; W190-A216 WeakPolarHBondContact O-CA 3.47Å; W190-Y217 PolarHBondContact O-N 3.07Å; W190-C220 HydrophobicContact CH2-CB 3.87Å; W190-C220 HydrophobicContact CZ3-CB 3.85Å; W190-L250 HydrophobicContact CB-CB 4.07Å; W190-L250 HydrophobicContact CB-CD1 3.98Å; W190-L250 HydrophobicContact CB-CG 4.23Å; W190-L250 HydrophobicContact CG-CB 3.99Å; W190-L250 HydrophobicContact CG-CD1 4.06Å; W190-L250 HydrophobicContact CG-CG 4.48Å
191I93.4Very high95.7Very high36 Ų3642.1 Ų42.119%0.18524%0.242CC..EExtended strand (participates in β ladder)trans-113.8122.3174.2-53.8177.8000108.2F189 C238 E239 L242F189-I191 HydrophobicContact CD2-CD1 4.31Å; F189-I191 HydrophobicContact CD2-CG1 3.91Å; F189-I191 HydrophobicContact CE2-CD1 3.87Å; F189-I191 HydrophobicContact CE2-CG1 3.92Å; I191-C238 HydrophobicContact CD1-CB 4.28Å; I191-E239 HydrophobicContact CD1-CG 3.69Å; I191-L242 HydrophobicContact CD1-CD1 4.04Å; I191-L242 HydrophobicContact CG1-CD1 4.36Å
192A92.5Very high95.8Very high3 Ų343.5 Ų43.53%0.02525%0.248CC..  trans-154129.8-178.400000113.4W190 Y217 G218 N219 C220W190-A192 HydrophobicContact CD2-CB 3.93Å; W190-A192 HydrophobicContact CE3-CB 4.27Å; W190-A192 HydrophobicContact CH2-CB 3.74Å; W190-A192 HydrophobicContact CZ2-CB 3.3Å; W190-A192 HydrophobicContact CZ3-CB 4.2Å; A192-Y217 PolarHBondContact N-O 3.33Å; A192-G218 CarbonylContact O-C 3.53Å; A192-N219 PolarHBondContact O-N 3.38Å; A192-C220 HydrophobicContact CB-CB 3.92Å; A192-C220 PolarHBondContact O-N 2.92Å; A192-C220 VanDerWaalsContact O-N 3.1Å; A192-C220 PolarHBondContact O-SG 2.98Å; A192-C220 VanDerWaalsContact O-SG 3.38Å
193N90.2Very high95.9Very high95 Ų9541 Ų4151%0.50824%0.237SC..SBendtrans-105.1-26.6175.3-66.6-25.7000113.6N219N193-N219 WeakPolarHBondContact O-CB 3.31Å; N193-N219 PolarHBondContact O-ND2 3.49Å; N193-N219 PolarHBondContact OD1-N 2.83Å
194S92Very high96Very high64 Ų6437.4 Ų37.445%0.44821%0.212SC..  trans-99.2116.5175.5-50.40000110.4T197 R201 C220S194-T197 WeakPolarHBondContact O-CG2 3.24Å; S194-R201 PolarHBondContact O-NH2 2.93Å; S194-C220 PolarHBondContact O-SG 2.94Å; S194-C220 VanDerWaalsContact O-SG 3.39Å
195C94.9Very high96.2Very high55 Ų5536.5 Ų36.537%0.37221%0.208SC..SBendtrans-111.314.7-170.6-40.70000113.6E202 N219 C220C195-E202 WeakPolarHBondContact O-CG 3.22Å; C195-N219 VanDerWaalsContact SG-C 3.52Å; C195-C220 WeakPolarHBondContact CA-SG 3.2Å; C195-C220 HydrophobicContact CB-CB 3.93Å; C195-C220 WeakPolarHBondContact CB-SG 3.46Å; C195-C220 PolarHBondContact N-SG 2.9Å; C195-C220 VanDerWaalsContact N-SG 3.37Å; C195-C220 WeakPolarHBondContact SG-CA 3.42Å; C195-C220 WeakPolarHBondContact SG-CB 3.17Å; C195-C220 PolarHBondContact SG-N 2.63Å; C195-C220 CovalentContact SG-SG 2.04Å; C195-C220 PolarHBondContact SG-SG 3.06Å
196N95.9Very high96.3Very high124 Ų12437.4 Ų37.466%0.66320%0.201SC*.SBendtrans-14790.2170.6179.322.4000106.2K200 E202N196-K200 PolarHBondContact OD1-NZ 2.76Å; N196-E202 WeakPolarHBondContact CA-OE1 3.14Å
197T97Very high96.3Very high6 Ų637 Ų374%0.03720%0.199CC..  trans-111.3160.2-172.972.20000111.6S194 S199 K200 R201 E202 T254S194-T197 WeakPolarHBondContact O-CG2 3.24Å; T197-S199 PolarHBondContact O-N 3Å; T197-S199 PolarHBondContact OG1-OG 3.35Å; T197-K200 WeakPolarHBondContact O-CD 3.26Å; T197-K200 WeakPolarHBondContact O-CE 3.43Å; T197-K200 PolarHBondContact O-N 3.48Å; T197-K200 VanDerWaalsContact O-N 3.08Å; T197-K200 PolarHBondContact OG1-N 3.12Å; T197-R201 HydrophobicContact CG2-CG 4.43Å; T197-E202 PolarHBondContact N-OE1 3.4Å; T197-E202 VanDerWaalsContact N-OE1 3.16Å; T197-E202 PolarHBondContact N-OE2 3.06Å; T197-E202 PolarHBondContact OG1-OE2 3.41Å; T197-T254 VanDerWaalsContact CB-O 3.3Å; T197-T254 WeakPolarHBondContact CB-O 3.41Å; T197-T254 HydrophobicContact CG2-CG2 4Å; T197-T254 PolarHBondContact OG1-O 2.87Å
198S96.8Very high96.4Very high29 Ų2934.9 Ų34.920%0.20319%0.189CC..THydrogen-bonded Turntrans-56.9-36.8172.7-176.60000111.8K200 T254 D379S198-K200 VanDerWaalsContact C-N 3.31Å; S198-K200 PolarHBondContact O-N 3.38Å; S198-T254 PolarHBondContact N-O 3.1Å; S198-D379 PolarHBondContact O-N 3.07Å
199S97.8Very high96.3Very high0 Ų038.2 Ų38.20%020%0.203CC..THydrogen-bonded Turntrans-72.3-17.6177.365.80000114.7T197 R201 E253 T254 F380 G381T197-S199 PolarHBondContact O-N 3Å; T197-S199 PolarHBondContact OG1-OG 3.35Å; S199-R201 PolarHBondContact O-N 3.26Å; S199-R201 PolarHBondContact OG-N 3.24Å; S199-E253 WeakPolarHBondContact CB-O 3.39Å; S199-E253 PolarHBondContact OG-O 3.11Å; S199-T254 VanDerWaalsContact CB-O 3.27Å; S199-T254 WeakPolarHBondContact CB-O 3.45Å; S199-T254 PolarHBondContact N-O 2.84Å; S199-T254 PolarHBondContact OG-O 2.89Å; S199-F380 PolarHBondContact O-N 3.32Å; S199-G381 PolarHBondContact O-N 2.96Å
200K97.8Very high96.4Very high44 Ų4444 Ų4419%0.19123%0.23CC..  trans52.733.4-171.5-56.9-65.2174.6-175.30113.5N196 T197 S198 E202 V203 Y204 D379N196-K200 PolarHBondContact OD1-NZ 2.76Å; T197-K200 WeakPolarHBondContact O-CD 3.26Å; T197-K200 WeakPolarHBondContact O-CE 3.43Å; T197-K200 PolarHBondContact O-N 3.48Å; T197-K200 VanDerWaalsContact O-N 3.08Å; T197-K200 PolarHBondContact OG1-N 3.12Å; S198-K200 VanDerWaalsContact C-N 3.31Å; S198-K200 PolarHBondContact O-N 3.38Å; K200-E202 WeakPolarHBondContact CD-OE1 3.43Å; K200-E202 PolarHBondContact O-N 3.07Å; K200-V203 HydrophobicContact CB-CG2 4.2Å; K200-V203 PolarHBondContact O-N 2.77Å; K200-V203 VanDerWaalsContact O-N 3.08Å; K200-Y204 PolarHBondContact O-N 3.44Å; K200-D379 WeakPolarHBondContact CE-OD1 3.29Å; K200-D379 HydrophobicContact CG-CB 4.14Å; K200-D379 WeakPolarHBondContact CG-OD1 3.38Å
201R97.7Very high96.5Very high4 Ų447.6 Ų47.62%0.01525%0.245CC..Hα-helixtrans-57.4-34.6178.865.3-175-176.2127.210.1112W190 S194 T197 S199 V203 Y204 V205 F252 E253 F278W190-R201 HydrophobicContact CZ2-CG 4.14Å; S194-R201 PolarHBondContact O-NH2 2.93Å; T197-R201 HydrophobicContact CG2-CG 4.43Å; S199-R201 PolarHBondContact O-N 3.26Å; S199-R201 PolarHBondContact OG-N 3.24Å; R201-V203 VanDerWaalsContact C-N 3.28Å; R201-V203 PolarHBondContact O-N 3.41Å; R201-Y204 PolarHBondContact O-N 3.34Å; R201-V205 WeakPolarHBondContact O-CG2 3.46Å; R201-V205 PolarHBondContact O-N 2.89Å; R201-F252 HydrophobicContact CB-CB 3.85Å; R201-F252 HydrophobicContact CB-CD2 4.25Å; R201-F252 HydrophobicContact CB-CG 4.48Å; R201-F252 VanDerWaalsContact CD-O 3.24Å; R201-F252 WeakPolarHBondContact CD-O 3.41Å; R201-F252 HydrophobicContact CG-CB 4.46Å; R201-F252 PolarHBondContact NH1-O 2.72Å; R201-E253 WeakPolarHBondContact CD-O 3.17Å; R201-F278 HydrophobicContact CB-CD1 4.31Å; R201-F278 HydrophobicContact CB-CE1 3.68Å; R201-F278 HydrophobicContact CB-CZ 4.2Å
202E97.8Very high96.7Very high28 Ų2846.7 Ų46.713%0.13124%0.24CC..Hα-helixtrans-60.7-36177.664.4-79.8-17900112.5W190 C195 N196 T197 K200 V205 Q206W190-E202 HydrophobicContact CH2-CB 4.11Å; C195-E202 WeakPolarHBondContact O-CG 3.22Å; N196-E202 WeakPolarHBondContact CA-OE1 3.14Å; T197-E202 PolarHBondContact N-OE1 3.4Å; T197-E202 VanDerWaalsContact N-OE1 3.16Å; T197-E202 PolarHBondContact N-OE2 3.06Å; T197-E202 PolarHBondContact OG1-OE2 3.41Å; K200-E202 WeakPolarHBondContact CD-OE1 3.43Å; K200-E202 PolarHBondContact O-N 3.07Å; E202-V205 PolarHBondContact O-N 3.3Å; E202-Q206 WeakPolarHBondContact O-CB 3.15Å; E202-Q206 PolarHBondContact O-N 3.18Å
203V97.5Very high97Very high53 Ų5353.5 Ų53.532%0.32127%0.271SS..Hα-helixtrans-68.9-43.9178.3-178.60000109.9K200 R201 V205 Q206 K207 N382K200-V203 HydrophobicContact CB-CG2 4.2Å; K200-V203 PolarHBondContact O-N 2.77Å; K200-V203 VanDerWaalsContact O-N 3.08Å; R201-V203 VanDerWaalsContact C-N 3.28Å; R201-V203 PolarHBondContact O-N 3.41Å; V203-V205 PolarHBondContact O-N 2.88Å; V203-Q206 PolarHBondContact O-N 3.19Å; V203-K207 PolarHBondContact O-N 3.14Å; V203-N382 VanDerWaalsContact CG1-OD1 3.32Å; V203-N382 WeakPolarHBondContact CG1-OD1 3.34Å
204Y98.3Very high97.4Very high1 Ų149.7 Ų49.70%0.00425%0.251CS..Hα-helixtrans-60.6-45.9175-172.7-82.1000111.4K200 R201 Q206 K207 L208 F252 F278 A295 P301 L304 L384 T385K200-Y204 PolarHBondContact O-N 3.44Å; R201-Y204 PolarHBondContact O-N 3.34Å; Y204-Q206 VanDerWaalsContact C-N 3.33Å; Y204-Q206 PolarHBondContact O-N 3.45Å; Y204-K207 PolarHBondContact O-N 3.01Å; Y204-L208 WeakPolarHBondContact O-CB 3.15Å; Y204-L208 PolarHBondContact O-N 2.87Å; Y204-F252 AromaticContact CD1-CE2 3.65Å; Y204-F252 HydrophobicContact CD1-CE2 3.65Å; Y204-F252 HydrophobicContact CD1-CZ 4.06Å; Y204-F252 HydrophobicContact CE1-CE2 4.04Å; Y204-F252 HydrophobicContact CE1-CZ 4Å; Y204-F278 HydrophobicContact CD1-CE2 4.34Å; Y204-F278 HydrophobicContact CD2-CE2 4.01Å; Y204-F278 AromaticContact CG-CE2 3.86Å; Y204-F278 HydrophobicContact CG-CE2 3.86Å; Y204-F278 HydrophobicContact CG-CZ 4.24Å; Y204-A295 HydrophobicContact CE1-CB 4.22Å; Y204-P301 HydrophobicContact CD2-CG 3.94Å; Y204-P301 HydrophobicContact CE1-CB 4.36Å; Y204-P301 HydrophobicContact CE1-CG 4.37Å; Y204-P301 HydrophobicContact CE2-CB 4.33Å; Y204-P301 HydrophobicContact CE2-CG 3.6Å; Y204-P301 HydrophobicContact CG-CG 4.47Å; Y204-L304 HydrophobicContact CE1-CD2 3.93Å; Y204-L304 VanDerWaalsContact OH-CD2 3.3Å; Y204-L304 WeakPolarHBondContact OH-CD2 3.32Å; Y204-L384 HydrophobicContact CD2-CB 3.63Å; Y204-L384 HydrophobicContact CD2-CD1 4.34Å; Y204-L384 HydrophobicContact CE2-CB 3.6Å; Y204-L384 HydrophobicContact CE2-CD1 4.1Å; Y204-T385 HydrophobicContact CD2-CG2 4.02Å
205V98.4Very high97.6Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-63.8-39.4177.9178.50000111.7W190 R201 E202 V203 K207 L208 K209 V214 L250 F252W190-V205 HydrophobicContact CD2-CB 4.49Å; W190-V205 HydrophobicContact CD2-CG1 4.14Å; W190-V205 HydrophobicContact CD2-CG2 3.97Å; W190-V205 HydrophobicContact CE3-CB 4.06Å; W190-V205 HydrophobicContact CE3-CG1 3.51Å; W190-V205 HydrophobicContact CE3-CG2 4.05Å; W190-V205 HydrophobicContact CH2-CB 4.22Å; W190-V205 HydrophobicContact CH2-CG2 4.15Å; W190-V205 HydrophobicContact CZ2-CG2 4.09Å; W190-V205 HydrophobicContact CZ3-CB 3.91Å; W190-V205 HydrophobicContact CZ3-CG1 3.73Å; W190-V205 HydrophobicContact CZ3-CG2 4.13Å; R201-V205 WeakPolarHBondContact O-CG2 3.46Å; R201-V205 PolarHBondContact O-N 2.89Å; E202-V205 PolarHBondContact O-N 3.3Å; V203-V205 PolarHBondContact O-N 2.88Å; V205-K207 VanDerWaalsContact C-N 3.28Å; V205-K207 PolarHBondContact O-N 3.16Å; V205-L208 PolarHBondContact O-N 3.09Å; V205-K209 WeakPolarHBondContact O-CG 3.42Å; V205-K209 PolarHBondContact O-N 3.07Å; V205-V214 HydrophobicContact CG1-CG1 4.17Å; V205-L250 HydrophobicContact CB-CD1 4.48Å; V205-L250 HydrophobicContact CG1-CD1 4.21Å; V205-L250 HydrophobicContact CG2-CD1 3.51Å; V205-F252 HydrophobicContact CG2-CD2 3.87Å; V205-F252 HydrophobicContact CG2-CE2 3.96Å
206Q97.6Very high97.7Very high115 Ų11545.2 Ų45.254%0.53722%0.219SC..Hα-helixtrans-62.6-37.2176.2-173.96016.800111.9E202 V203 Y204E202-Q206 WeakPolarHBondContact O-CB 3.15Å; E202-Q206 PolarHBondContact O-N 3.18Å; V203-Q206 PolarHBondContact O-N 3.19Å; Y204-Q206 VanDerWaalsContact C-N 3.33Å; Y204-Q206 PolarHBondContact O-N 3.45Å
207K97.9Very high97.6Very high66 Ų6640.5 Ų40.529%0.28719%0.192SC..Hα-helixtrans-70.2-41.6173.8-170.961.8177.91700111.9V203 Y204 V205 K209 Q210 Y211 P301 T385V203-K207 PolarHBondContact O-N 3.14Å; Y204-K207 PolarHBondContact O-N 3.01Å; V205-K207 VanDerWaalsContact C-N 3.28Å; V205-K207 PolarHBondContact O-N 3.16Å; K207-K209 VanDerWaalsContact C-N 3.3Å; K207-K209 PolarHBondContact O-N 3.26Å; K207-Q210 WeakPolarHBondContact O-CB 3.43Å; K207-Q210 PolarHBondContact O-N 2.96Å; K207-Q210 VanDerWaalsContact O-N 3.11Å; K207-Y211 HydrophobicContact CD-CE2 4.3Å; K207-Y211 VanDerWaalsContact CE-OH 3.28Å; K207-Y211 WeakPolarHBondContact CE-OH 3.34Å; K207-Y211 HydrophobicContact CG-CE2 4.22Å; K207-Y211 PolarHBondContact NZ-OH 3.44Å; K207-Y211 WeakPolarHBondContact O-CD2 3.33Å; K207-P301 HydrophobicContact CB-CB 4.47Å; K207-P301 HydrophobicContact CB-CG 4.02Å; K207-P301 HydrophobicContact CG-CB 4.2Å; K207-P301 HydrophobicContact CG-CG 3.71Å; K207-T385 HydrophobicContact CB-CG2 3.91Å; K207-T385 HydrophobicContact CG-CG2 4.13Å
208L98.5Very high97.3Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-59.5-38.4176.9-176.362.2000112.5L188 Y204 V205 Q210 Y211 M212 V214 L250 P301 L304 A305L188-L208 HydrophobicContact CD2-CD2 3.86Å; Y204-L208 WeakPolarHBondContact O-CB 3.15Å; Y204-L208 PolarHBondContact O-N 2.87Å; V205-L208 PolarHBondContact O-N 3.09Å; L208-Q210 PolarHBondContact O-N 2.97Å; L208-Q210 VanDerWaalsContact O-N 3.08Å; L208-Y211 PolarHBondContact O-N 3.17Å; L208-M212 HydrophobicContact CD1-CG 4.11Å; L208-M212 HydrophobicContact CD1-SD 3.96Å; L208-M212 HydrophobicContact CG-CG 4.16Å; L208-M212 HydrophobicContact CG-SD 4.29Å; L208-M212 PolarHBondContact O-N 3.48Å; L208-V214 HydrophobicContact CD2-CG2 4.17Å; L208-V214 HydrophobicContact CG-CG2 4.12Å; L208-L250 HydrophobicContact CD2-CD1 4.22Å; L208-L250 HydrophobicContact CD2-CD2 4.38Å; L208-P301 HydrophobicContact CB-CB 4.15Å; L208-P301 HydrophobicContact CD1-CB 4.17Å; L208-P301 WeakPolarHBondContact CD1-O 2.96Å; L208-L304 HydrophobicContact CD1-CD2 4.33Å; L208-L304 HydrophobicContact CD2-CD2 4.32Å; L208-A305 HydrophobicContact CD1-CB 3.94Å
209K98.1Very high97.1Very high71 Ų7145 Ų4531%0.30922%0.216SC..THydrogen-bonded Turntrans-57.8-19.8175.6-78.6175.6178.6176.20114.2V205 K207 Y211 M212 V214V205-K209 WeakPolarHBondContact O-CG 3.42Å; V205-K209 PolarHBondContact O-N 3.07Å; K207-K209 VanDerWaalsContact C-N 3.3Å; K207-K209 PolarHBondContact O-N 3.26Å; K209-Y211 VanDerWaalsContact C-N 3.29Å; K209-M212 WeakPolarHBondContact CA-O 3.5Å; K209-V214 HydrophobicContact CG-CB 3.85Å; K209-V214 HydrophobicContact CG-CG2 3.9Å
210Q98Very high96.9Very high125 Ų12546.1 Ų46.158%0.58422%0.223SC*.THydrogen-bonded Turntrans-74.5-20.6175.4-59.5-174.8-20.300112.7K207 L208K207-Q210 WeakPolarHBondContact O-CB 3.43Å; K207-Q210 PolarHBondContact O-N 2.96Å; K207-Q210 VanDerWaalsContact O-N 3.11Å; L208-Q210 PolarHBondContact O-N 2.97Å; L208-Q210 VanDerWaalsContact O-N 3.08Å
211Y98.3Very high96.6Very high81 Ų8144.5 Ų44.532%0.31822%0.219SC..THydrogen-bonded Turntrans-113.4-18.1-173.1-54.2-66.2000113.3K207 L208 K209 P301 K302K207-Y211 HydrophobicContact CD-CE2 4.3Å; K207-Y211 VanDerWaalsContact CE-OH 3.28Å; K207-Y211 WeakPolarHBondContact CE-OH 3.34Å; K207-Y211 HydrophobicContact CG-CE2 4.22Å; K207-Y211 PolarHBondContact NZ-OH 3.44Å; K207-Y211 WeakPolarHBondContact O-CD2 3.33Å; L208-Y211 PolarHBondContact O-N 3.17Å; K209-Y211 VanDerWaalsContact C-N 3.29Å; Y211-P301 HydrophobicContact CD2-CB 4.34Å; Y211-P301 HydrophobicContact CE2-CB 4.44Å; Y211-K302 HydrophobicContact CD1-CB 3.77Å; Y211-K302 HydrophobicContact CD1-CD 4Å; Y211-K302 HydrophobicContact CD1-CG 3.57Å; Y211-K302 HydrophobicContact CD2-CB 3.76Å; Y211-K302 HydrophobicContact CD2-CG 4.42Å; Y211-K302 HydrophobicContact CE1-CB 3.8Å; Y211-K302 HydrophobicContact CE1-CD 3.88Å; Y211-K302 HydrophobicContact CE1-CG 3.85Å; Y211-K302 HydrophobicContact CE2-CB 3.8Å; Y211-K302 HydrophobicContact CG-CB 3.74Å; Y211-K302 HydrophobicContact CG-CG 3.88Å
212M98.2Very high96.3Very high16 Ų1651.9 Ų51.98%0.07926%0.259CS..SBendtrans-156.7159.1174.665.1-178.5-58.600112.1I187 L188 L208 K209 V214 A305 L308I187-M212 HydrophobicContact CB-CE 4.44Å; I187-M212 HydrophobicContact CG2-CE 3.61Å; L188-M212 HydrophobicContact CB-CE 3.87Å; L188-M212 HydrophobicContact CD2-CE 3.89Å; L188-M212 HydrophobicContact CD2-SD 3.92Å; L208-M212 HydrophobicContact CD1-CG 4.11Å; L208-M212 HydrophobicContact CD1-SD 3.96Å; L208-M212 HydrophobicContact CG-CG 4.16Å; L208-M212 HydrophobicContact CG-SD 4.29Å; L208-M212 PolarHBondContact O-N 3.48Å; K209-M212 WeakPolarHBondContact CA-O 3.5Å; M212-V214 HydrophobicContact CG-CG2 4.28Å; M212-V214 PolarHBondContact O-N 3.2Å; M212-A305 HydrophobicContact CB-CB 4.14Å; M212-A305 HydrophobicContact CG-CB 3.93Å; M212-A305 HydrophobicContact SD-CB 3.77Å; M212-L308 HydrophobicContact CE-CB 4.1Å; M212-L308 HydrophobicContact CE-CD1 3.99Å; M212-L308 HydrophobicContact SD-CB 4.35Å; M212-L308 HydrophobicContact SD-CD1 3.74Å
213Q97.8Very high96.1Very high147 Ų14753.6 Ų53.669%0.68727%0.269SS*.  trans-66.9126.1171.5-177.1175.9-21.200110.7D215Q213-D215 PolarHBondContact NE2-OD1 2.83Å
214V98.4Very high95.6Very high14 Ų1459.2 Ų59.29%0.08529%0.289CS..  trans-121.8109.2172.4-173.50000108.4L188 W190 V205 L208 K209 M212 A216 L250L188-V214 HydrophobicContact CD2-CG1 4.33Å; L188-V214 HydrophobicContact CD2-CG2 3.96Å; L188-V214 HydrophobicContact CG-CG1 4.33Å; W190-V214 HydrophobicContact CB-CG1 4.13Å; V205-V214 HydrophobicContact CG1-CG1 4.17Å; L208-V214 HydrophobicContact CD2-CG2 4.17Å; L208-V214 HydrophobicContact CG-CG2 4.12Å; K209-V214 HydrophobicContact CG-CB 3.85Å; K209-V214 HydrophobicContact CG-CG2 3.9Å; M212-V214 HydrophobicContact CG-CG2 4.28Å; M212-V214 PolarHBondContact O-N 3.2Å; V214-A216 PolarHBondContact O-N 2.94Å; V214-L250 HydrophobicContact CG1-CD1 4.27Å
215D97.2Very high94.8Very high20 Ų2060.6 Ų60.611%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-75.395.7176.9-72.7-4.6000108.7K186 L188 F189 W190 Q213 Y217 L223 Y246K186-D215 IonicContact NZ-OD2 3.28Å; L188-D215 PolarHBondContact O-N 3.42Å; L188-D215 VanDerWaalsContact O-N 3.09Å; F189-D215 CarbonylContact C-O 3.49Å; F189-D215 VanDerWaalsContact CA-O 3.25Å; F189-D215 WeakPolarHBondContact CA-O 3.12Å; F189-D215 HydrophobicContact CB-CB 4.34Å; F189-D215 WeakPolarHBondContact CB-O 3.17Å; W190-D215 PolarHBondContact N-O 3.42Å; Q213-D215 PolarHBondContact NE2-OD1 2.83Å; D215-Y217 HydrophobicContact CB-CE2 3.86Å; D215-Y217 VanDerWaalsContact O-CD2 3.32Å; D215-Y217 WeakPolarHBondContact O-CD2 3.26Å; D215-Y217 WeakPolarHBondContact O-CE2 3.33Å; D215-L223 HydrophobicContact CB-CD1 3.71Å; D215-Y246 HydrophobicContact CB-CE1 3.78Å; D215-Y246 VanDerWaalsContact CB-OH 3.32Å; D215-Y246 WeakPolarHBondContact CB-OH 3.29Å; D215-Y246 WeakPolarHBondContact OD2-CE1 3.39Å; D215-Y246 PolarHBondContact OD2-OH 3.18Å
216A96.3Very high93.6Very high5 Ų567.7 Ų67.74%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-93.7120.7-17600000111.3W190 V214 G221 N222 L223W190-A216 HydrophobicContact CE3-CB 4.11Å; W190-A216 CarbonylContact O-C 3.39Å; W190-A216 WeakPolarHBondContact O-CA 3.47Å; V214-A216 PolarHBondContact O-N 2.94Å; A216-G221 WeakPolarHBondContact O-CA 3.42Å; A216-N222 PolarHBondContact O-N 2.7Å; A216-L223 WeakPolarHBondContact O-CB 3.45Å; A216-L223 PolarHBondContact O-N 2.96Å; A216-L223 VanDerWaalsContact O-N 3.15Å
217Y93.9Very high92Very high25 Ų2571 Ų7110%0.09834%0.344CS..EExtended strand (participates in β ladder)trans-109.3153.6178.7-62.1-101.5000111.7F189 W190 A192 D215 L223 L242 Y246F189-Y217 HydrophobicContact CB-CD2 4.44Å; F189-Y217 HydrophobicContact CB-CE2 4.16Å; W190-Y217 PolarHBondContact O-N 3.07Å; A192-Y217 PolarHBondContact N-O 3.33Å; D215-Y217 HydrophobicContact CB-CE2 3.86Å; D215-Y217 VanDerWaalsContact O-CD2 3.32Å; D215-Y217 WeakPolarHBondContact O-CD2 3.26Å; D215-Y217 WeakPolarHBondContact O-CE2 3.33Å; Y217-L223 VanDerWaalsContact CA-O 3.31Å; Y217-L223 WeakPolarHBondContact CA-O 3.45Å; Y217-L223 HydrophobicContact CD1-CB 3.5Å; Y217-L223 VanDerWaalsContact CD1-CB 3.5Å; Y217-L223 HydrophobicContact CD1-CD1 4.43Å; Y217-L223 HydrophobicContact CD2-CB 4.37Å; Y217-L223 HydrophobicContact CD2-CD1 4.22Å; Y217-L223 HydrophobicContact CE1-CB 3.59Å; Y217-L223 HydrophobicContact CE1-CD1 3.92Å; Y217-L223 HydrophobicContact CE1-CG 4.36Å; Y217-L223 HydrophobicContact CE2-CB 4.43Å; Y217-L223 HydrophobicContact CE2-CD1 3.65Å; Y217-L223 HydrophobicContact CG-CB 3.89Å; Y217-L223 VanDerWaalsContact CZ-CD1 3.45Å; Y217-L242 HydrophobicContact CD1-CD1 4.37Å; Y217-L242 HydrophobicContact CD2-CD1 3.86Å; Y217-L242 HydrophobicContact CE1-CD1 4.29Å; Y217-L242 HydrophobicContact CE1-CD2 3.86Å; Y217-L242 HydrophobicContact CE2-CD1 3.79Å; Y217-L242 HydrophobicContact CE2-CD2 3.74Å; Y217-L242 HydrophobicContact CE2-CG 4.45Å; Y217-L242 HydrophobicContact CG-CD1 4.19Å; Y217-L242 VanDerWaalsContact OH-CD2 3.27Å; Y217-L242 WeakPolarHBondContact OH-CD2 3.37Å; Y217-Y246 PolarHBondContact OH-OH 3.23Å
218G90.7Very high90.3Very high8 Ų869.6 Ų69.68%0.08235%0.345CS..SBendtrans91.3-163.2-179.500000112.1A192 C220 G221 L223A192-G218 CarbonylContact O-C 3.53Å; G218-C220 PolarHBondContact O-N 3.36Å; G218-G221 PolarHBondContact O-N 3.4Å; G218-G221 VanDerWaalsContact O-O 3.12Å; G218-L223 PolarHBondContact N-O 3.48Å; G218-L223 VanDerWaalsContact N-O 3.15Å
219N92.2Very high88Confident122 Ų12277.2 Ų77.265%0.65239%0.386SS*.THydrogen-bonded Turntrans-66.8-22.3-174.4-61.9-19.2000113.7A192 N193 C195 G221A192-N219 PolarHBondContact O-N 3.38Å; N193-N219 WeakPolarHBondContact O-CB 3.31Å; N193-N219 PolarHBondContact O-ND2 3.49Å; N193-N219 PolarHBondContact OD1-N 2.83Å; C195-N219 VanDerWaalsContact SG-C 3.52Å; N219-G221 VanDerWaalsContact C-N 3.32Å
220C93.8Very high85.7Confident24 Ų2475.8 Ų75.816%0.16239%0.387CS..THydrogen-bonded Turntrans-93.38.4-178.4-45.40000113.4W190 A192 S194 C195 G218W190-C220 HydrophobicContact CH2-CB 3.87Å; W190-C220 HydrophobicContact CZ3-CB 3.85Å; A192-C220 HydrophobicContact CB-CB 3.92Å; A192-C220 PolarHBondContact O-N 2.92Å; A192-C220 VanDerWaalsContact O-N 3.1Å; A192-C220 PolarHBondContact O-SG 2.98Å; A192-C220 VanDerWaalsContact O-SG 3.38Å; S194-C220 PolarHBondContact O-SG 2.94Å; S194-C220 VanDerWaalsContact O-SG 3.39Å; C195-C220 WeakPolarHBondContact CA-SG 3.2Å; C195-C220 HydrophobicContact CB-CB 3.93Å; C195-C220 WeakPolarHBondContact CB-SG 3.46Å; C195-C220 PolarHBondContact N-SG 2.9Å; C195-C220 VanDerWaalsContact N-SG 3.37Å; C195-C220 WeakPolarHBondContact SG-CA 3.42Å; C195-C220 WeakPolarHBondContact SG-CB 3.17Å; C195-C220 PolarHBondContact SG-N 2.63Å; C195-C220 CovalentContact SG-SG 2.04Å; C195-C220 PolarHBondContact SG-SG 3.06Å; G218-C220 PolarHBondContact O-N 3.36Å
221G91.1Very high83.5Confident10 Ų1074.2 Ų74.210%0.10339%0.386CS..SBendtrans-141.5174.5-179.400000112.4A216 G218 N219A216-G221 WeakPolarHBondContact O-CA 3.42Å; G218-G221 PolarHBondContact O-N 3.4Å; G218-G221 VanDerWaalsContact O-O 3.12Å; N219-G221 VanDerWaalsContact C-N 3.32Å
222N92.5Very high81.2Confident159 Ų15975.7 Ų75.785%0.8539%0.392SS*.SBendtrans-91-15.5-178.5-63.3-17.5000112.1A216A216-N222 PolarHBondContact O-N 2.7Å
223L93.5Very high79Confident64 Ų6478.1 Ų78.134%0.33540%0.403SS..BIsolated β-bridgetrans-87.9135.9-179.7-55.9174.2000110D215 A216 Y217 G218D215-L223 HydrophobicContact CB-CD1 3.71Å; A216-L223 WeakPolarHBondContact O-CB 3.45Å; A216-L223 PolarHBondContact O-N 2.96Å; A216-L223 VanDerWaalsContact O-N 3.15Å; Y217-L223 VanDerWaalsContact CA-O 3.31Å; Y217-L223 WeakPolarHBondContact CA-O 3.45Å; Y217-L223 HydrophobicContact CD1-CB 3.5Å; Y217-L223 VanDerWaalsContact CD1-CB 3.5Å; Y217-L223 HydrophobicContact CD1-CD1 4.43Å; Y217-L223 HydrophobicContact CD2-CB 4.37Å; Y217-L223 HydrophobicContact CD2-CD1 4.22Å; Y217-L223 HydrophobicContact CE1-CB 3.59Å; Y217-L223 HydrophobicContact CE1-CD1 3.92Å; Y217-L223 HydrophobicContact CE1-CG 4.36Å; Y217-L223 HydrophobicContact CE2-CB 4.43Å; Y217-L223 HydrophobicContact CE2-CD1 3.65Å; Y217-L223 HydrophobicContact CG-CB 3.89Å; Y217-L223 VanDerWaalsContact CZ-CD1 3.45Å; G218-L223 PolarHBondContact N-O 3.48Å; G218-L223 VanDerWaalsContact N-O 3.15Å
224K87.6Confident77.3Confident170 Ų17077.3 Ų77.374%0.73940%0.397SS*.  trans-88.3143.9-179.5-62.5-57.6-176.5-172.80110.9
225C81.5Confident75.8Confident30 Ų3078.1 Ų78.120%0.20340%0.402CS..  trans-108.9134.1167.9-98.40000109.6K227 C238C225-K227 PolarHBondContact O-N 3.31Å; C225-C238 WeakPolarHBondContact CA-SG 3.24Å; C225-C238 HydrophobicContact CB-CB 4.23Å; C225-C238 WeakPolarHBondContact CB-SG 3.22Å; C225-C238 WeakPolarHBondContact SG-CB 3.18Å; C225-C238 CovalentContact SG-SG 2.02Å; C225-C238 PolarHBondContact SG-SG 2.85Å
226Q73.1Confident74.6Confident150 Ų15079.5 Ų79.570%0.70141%0.408SS*.PPolyproline II helixtrans-58133.9166.5-69.8179-14.400107.7A228 H236Q226-A228 PolarHBondContact O-N 3.38Å; Q226-H236 PolarHBondContact O-CE1 3.15Å; Q226-H236 PolarHBondContact O-NE2 3.44Å
227K63.2Low73.8Confident183 Ų18380.5 Ų80.580%0.79641%0.414SS*.PPolyproline II helixtrans-60.7135.7173.4-67.3-177178.4-179.30107.8C225 N229C225-K227 PolarHBondContact O-N 3.31Å; K227-N229 PolarHBondContact O-N 3.49Å
228A61.9Low73.2Confident37 Ų3779.9 Ų79.931%0.30641%0.413SS..PPolyproline II helixtrans-57.3131164.300000107.8Q226 A230Q226-A228 PolarHBondContact O-N 3.38Å; A228-A230 PolarHBondContact O-N 2.87Å
229N51.5Low72.9Confident161 Ų16180.6 Ų80.686%0.86141%0.414SS*.SBendtrans-75-14.8-178.9-82.4-22000111.2K227 E233K227-N229 PolarHBondContact O-N 3.49Å; N229-E233 PolarHBondContact N-OE1 3.42Å
230A49.9Very low72.4Confident40 Ų4079.3 Ų79.333%0.33140%0.404SS..SBendtrans-134146.3172.600000112.5A228 Y232 E233A228-A230 PolarHBondContact O-N 2.87Å; A230-Y232 PolarHBondContact O-N 3.26Å; A230-E233 HydrophobicContact CB-CG 4.23Å; A230-E233 PolarHBondContact N-OE1 3.32Å; A230-E233 PolarHBondContact O-N 2.9Å
231T51.8Low71.9Confident92 Ų9282.5 Ų82.556%0.56442%0.423SS*.THydrogen-bonded Turntrans-59.9-17.4166.739.40000113
232Y50.1Low71.9Confident112 Ų11282.5 Ų82.544%0.43942%0.421SS..THydrogen-bonded Turntrans-101.14.8-174.8-51.3-66.4000114.7P65 H68 A230 K234P65-Y232 WeakPolarHBondContact O-CE1 3.17Å; P65-Y232 PolarHBondContact O-OH 3.06Å; H68-Y232 HydrophobicContact CB-CD1 4.19Å; H68-Y232 HydrophobicContact CB-CE1 3.33Å; A230-Y232 PolarHBondContact O-N 3.26Å; Y232-K234 PolarHBondContact O-N 2.89Å; Y232-K234 VanDerWaalsContact O-N 3.14Å
233E51.2Low71.7Confident67 Ų6777.9 Ų77.931%0.31339%0.393SS..  trans-65.4117.9-179.5-78.7179.7-156.500110.9N229 A230 V235 P237N229-E233 PolarHBondContact N-OE1 3.42Å; A230-E233 HydrophobicContact CB-CG 4.23Å; A230-E233 PolarHBondContact N-OE1 3.32Å; A230-E233 PolarHBondContact O-N 2.9Å; E233-V235 PolarHBondContact O-N 3.18Å; E233-V235 VanDerWaalsContact O-N 3.12Å; E233-P237 WeakPolarHBondContact OE2-CD 3.27Å; E233-P237 WeakPolarHBondContact OE2-CG 3.32Å
234K61.6Low71.5Confident130 Ų13081.8 Ų81.857%0.56541%0.407SS*.SBendtrans-54.8-29.3179.1-67.1176179.8170.90113.6Y232 N267Y232-K234 PolarHBondContact O-N 2.89Å; Y232-K234 VanDerWaalsContact O-N 3.14Å; K234-N267 PolarHBondContact O-ND2 2.03Å; K234-N267 VanDerWaalsContact O-ND2 3.13Å
235V66.7Low71.8Confident32 Ų3276.5 Ų76.519%0.19439%0.387CS..SBendtrans-144.7125.9180-178.60000107.9E233 E239 Q240E233-V235 PolarHBondContact O-N 3.18Å; E233-V235 VanDerWaalsContact O-N 3.12Å; V235-E239 HydrophobicContact CG1-CB 3.54Å; V235-Q240 HydrophobicContact CB-CG 4.08Å; V235-Q240 HydrophobicContact CG1-CG 3.6Å
236H72.3Confident72.6Confident48 Ų4875.1 Ų75.122%0.22238%0.378CS..  trans-59.4143.1-178.7-174.7-73.8000110.4Q226 C238 E239 Q240Q226-H236 PolarHBondContact O-CE1 3.15Å; Q226-H236 PolarHBondContact O-NE2 3.44Å; H236-C238 VanDerWaalsContact ND1-CB 3.33Å; H236-C238 WeakPolarHBondContact ND1-CB 3.49Å; H236-C238 PolarHBondContact ND1-N 2.71Å; H236-C238 VanDerWaalsContact ND1-N 3.11Å; H236-C238 PolarHBondContact O-N 2.9Å; H236-C238 VanDerWaalsContact O-N 3.13Å; H236-E239 HydrophobicContact CB-CB 4.3Å; H236-E239 HydrophobicContact CB-CG 3.95Å; H236-E239 PolarHBondContact N-OE2 2.82Å; H236-E239 VanDerWaalsContact N-OE2 3.11Å; H236-E239 WeakPolarHBondContact O-CA 3.43Å; H236-E239 VanDerWaalsContact O-CB 3.31Å; H236-E239 WeakPolarHBondContact O-CB 3.45Å; H236-E239 PolarHBondContact O-N 3.05Å; H236-Q240 PolarHBondContact O-N 3.36Å; H236-Q240 VanDerWaalsContact O-N 3.17Å
237P79Confident73.7Confident26 Ų2668.3 Ų68.317%0.16935%0.346CS..Hα-helixtrans-55.6-37.8-176.9-2937000113.5E233 Q240 T241E233-P237 WeakPolarHBondContact OE2-CD 3.27Å; E233-P237 WeakPolarHBondContact OE2-CG 3.32Å; P237-Q240 PolarHBondContact O-N 3.06Å; P237-T241 PolarHBondContact O-N 3.3Å; P237-T241 PolarHBondContact O-OG1 3.24Å
238C82.8Confident75.4Confident13 Ų1359.6 Ų59.69%0.08831%0.308CS..Hα-helixtrans-57.4-48.5169-76.10000113.8I191 C225 H236 Q240 T241 L242I191-C238 HydrophobicContact CD1-CB 4.28Å; C225-C238 WeakPolarHBondContact CA-SG 3.24Å; C225-C238 HydrophobicContact CB-CB 4.23Å; C225-C238 WeakPolarHBondContact CB-SG 3.22Å; C225-C238 WeakPolarHBondContact SG-CB 3.18Å; C225-C238 CovalentContact SG-SG 2.02Å; C225-C238 PolarHBondContact SG-SG 2.85Å; H236-C238 VanDerWaalsContact ND1-CB 3.33Å; H236-C238 WeakPolarHBondContact ND1-CB 3.49Å; H236-C238 PolarHBondContact ND1-N 2.71Å; H236-C238 VanDerWaalsContact ND1-N 3.11Å; H236-C238 PolarHBondContact O-N 2.9Å; H236-C238 VanDerWaalsContact O-N 3.13Å; C238-Q240 PolarHBondContact O-N 2.89Å; C238-T241 PolarHBondContact O-N 2.85Å; C238-L242 HydrophobicContact CB-CD1 4.04Å; C238-L242 WeakPolarHBondContact O-CB 3.41Å; C238-L242 WeakPolarHBondContact O-CG 3.12Å; C238-L242 PolarHBondContact O-N 3.37Å
239E83.3Confident77.1Confident22 Ų2258 Ų5810%0.10329%0.294CS..Hα-helixtrans-58.1-38-179.1-72176.2164.300111I191 V235 H236 T241 K243 L268I191-E239 HydrophobicContact CD1-CG 3.69Å; V235-E239 HydrophobicContact CG1-CB 3.54Å; H236-E239 HydrophobicContact CB-CB 4.3Å; H236-E239 HydrophobicContact CB-CG 3.95Å; H236-E239 PolarHBondContact N-OE2 2.82Å; H236-E239 VanDerWaalsContact N-OE2 3.11Å; H236-E239 WeakPolarHBondContact O-CA 3.43Å; H236-E239 VanDerWaalsContact O-CB 3.31Å; H236-E239 WeakPolarHBondContact O-CB 3.45Å; H236-E239 PolarHBondContact O-N 3.05Å; E239-T241 VanDerWaalsContact C-N 3.28Å; E239-T241 PolarHBondContact O-N 3.34Å; E239-K243 WeakPolarHBondContact O-CB 3.42Å; E239-K243 VanDerWaalsContact O-CG 3.32Å; E239-K243 WeakPolarHBondContact O-CG 3.36Å; E239-K243 PolarHBondContact O-N 3.34Å; E239-L268 HydrophobicContact CB-CD2 3.73Å; E239-L268 HydrophobicContact CB-CG 4.4Å; E239-L268 HydrophobicContact CG-CD1 4.19Å; E239-L268 HydrophobicContact CG-CD2 4.12Å; E239-L268 HydrophobicContact CG-CG 4.29Å
240Q82.4Confident79.3Confident96 Ų9650.8 Ų50.845%0.44926%0.255SS..Hα-helixtrans-64.3-31.4176-62-164.965.100113.9V235 H236 P237 C238 K243V235-Q240 HydrophobicContact CB-CG 4.08Å; V235-Q240 HydrophobicContact CG1-CG 3.6Å; H236-Q240 PolarHBondContact O-N 3.36Å; H236-Q240 VanDerWaalsContact O-N 3.17Å; P237-Q240 PolarHBondContact O-N 3.06Å; C238-Q240 PolarHBondContact O-N 2.89Å; Q240-K243 WeakPolarHBondContact O-CE 3.38Å; Q240-K243 WeakPolarHBondContact O-CG 3.45Å
241T84.2Confident81.6Confident90 Ų9049 Ų4955%0.55224%0.241SC*.Hα-helixtrans-83.5-52.4178.9-53.80000110.4P237 C238 E239 K243 K244P237-T241 PolarHBondContact O-N 3.3Å; P237-T241 PolarHBondContact O-OG1 3.24Å; C238-T241 PolarHBondContact O-N 2.85Å; E239-T241 VanDerWaalsContact C-N 3.28Å; E239-T241 PolarHBondContact O-N 3.34Å; T241-K243 VanDerWaalsContact C-N 3.28Å; T241-K243 PolarHBondContact O-N 3.25Å; T241-K244 PolarHBondContact O-N 3.35Å
242L90Very high83.8Confident10 Ų1044.6 Ų44.65%0.05221%0.214CC..Hα-helixtrans-64-32.6-175.4-61174.5000111.9F189 I191 Y217 C238 K244 D245 Y246F189-L242 HydrophobicContact CD1-CB 4.47Å; F189-L242 HydrophobicContact CD2-CD1 3.92Å; F189-L242 HydrophobicContact CE1-CB 4.21Å; F189-L242 HydrophobicContact CE2-CB 4.49Å; F189-L242 HydrophobicContact CE2-CD1 4.1Å; F189-L242 HydrophobicContact CG-CD1 4.36Å; F189-L242 HydrophobicContact CZ-CB 4.22Å; I191-L242 HydrophobicContact CD1-CD1 4.04Å; I191-L242 HydrophobicContact CG1-CD1 4.36Å; Y217-L242 HydrophobicContact CD1-CD1 4.37Å; Y217-L242 HydrophobicContact CD2-CD1 3.86Å; Y217-L242 HydrophobicContact CE1-CD1 4.29Å; Y217-L242 HydrophobicContact CE1-CD2 3.86Å; Y217-L242 HydrophobicContact CE2-CD1 3.79Å; Y217-L242 HydrophobicContact CE2-CD2 3.74Å; Y217-L242 HydrophobicContact CE2-CG 4.45Å; Y217-L242 HydrophobicContact CG-CD1 4.19Å; Y217-L242 VanDerWaalsContact OH-CD2 3.27Å; Y217-L242 WeakPolarHBondContact OH-CD2 3.37Å; C238-L242 HydrophobicContact CB-CD1 4.04Å; C238-L242 WeakPolarHBondContact O-CB 3.41Å; C238-L242 WeakPolarHBondContact O-CG 3.12Å; C238-L242 PolarHBondContact O-N 3.37Å; L242-K244 PolarHBondContact O-N 3.46Å; L242-D245 PolarHBondContact O-N 3.07Å; L242-D245 VanDerWaalsContact O-N 3.09Å; L242-Y246 HydrophobicContact CB-CD2 4.2Å; L242-Y246 HydrophobicContact CB-CE2 4.1Å; L242-Y246 HydrophobicContact CD2-CD2 4.48Å; L242-Y246 HydrophobicContact CD2-CE2 3.58Å; L242-Y246 HydrophobicContact CG-CE2 4.4Å; L242-Y246 VanDerWaalsContact O-CD2 3.27Å; L242-Y246 WeakPolarHBondContact O-CD2 3.14Å; L242-Y246 PolarHBondContact O-N 2.04Å
243K87.9Confident86Confident62 Ų6240 Ų4027%0.2720%0.196SC..THydrogen-bonded Turntrans-56.8-22.8-177.368.6176.6174.5-177.10114.5K184 E239 Q240 T241 L268 S271 L273K184-K243 PolarHBondContact NZ-O 2.8Å; E239-K243 WeakPolarHBondContact O-CB 3.42Å; E239-K243 VanDerWaalsContact O-CG 3.32Å; E239-K243 WeakPolarHBondContact O-CG 3.36Å; E239-K243 PolarHBondContact O-N 3.34Å; Q240-K243 WeakPolarHBondContact O-CE 3.38Å; Q240-K243 WeakPolarHBondContact O-CG 3.45Å; T241-K243 VanDerWaalsContact C-N 3.28Å; T241-K243 PolarHBondContact O-N 3.25Å; K243-L268 HydrophobicContact CB-CD2 4.22Å; K243-S271 WeakPolarHBondContact CD-OG 3.48Å; K243-L273 HydrophobicContact CB-CD1 3.65Å
244K90.1Very high88.2Confident146 Ų14637.7 Ų37.764%0.63519%0.187SC*.THydrogen-bonded Turntrans-76.3-32.1-178.9-66.1-177.7-178176.20113.1K184 T241 L242K184-K244 WeakPolarHBondContact CD-O 3.27Å; K184-K244 PolarHBondContact NZ-O 3.08Å; T241-K244 PolarHBondContact O-N 3.35Å; L242-K244 PolarHBondContact O-N 3.46Å
245D93.6Very high90Very high59 Ų5931.5 Ų31.532%0.31616%0.16SC..THydrogen-bonded Turntrans-101.4-27.5-164.9-58.7-30.5000113.8K184 S185 K186 L242K184-D245 CarbonylContact C-O 3.28Å; K184-D245 WeakPolarHBondContact CA-O 3.23Å; S185-D245 PolarHBondContact N-O 2.9Å; K186-D245 HydrophobicContact CD-CB 4.25Å; K186-D245 HydrophobicContact CG-CB 4.34Å; K186-D245 PolarHBondContact N-O 3.48Å; L242-D245 PolarHBondContact O-N 3.07Å; L242-D245 VanDerWaalsContact O-N 3.09Å
246Y97.2Very high91.5Very high1 Ų130.3 Ų30.30%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-96161.3-171.3-64.8-101.8000113.1K184 K186 L188 F189 D215 Y217 L242 L273K184-Y246 WeakPolarHBondContact CD-O 3.23Å; K184-Y246 WeakPolarHBondContact CE-O 3.27Å; K184-Y246 WeakPolarHBondContact CG-O 3.3Å; K186-Y246 HydrophobicContact CB-CD1 3.41Å; K186-Y246 VanDerWaalsContact CB-CD1 3.41Å; K186-Y246 HydrophobicContact CB-CD2 4.2Å; K186-Y246 HydrophobicContact CB-CE1 3.53Å; K186-Y246 HydrophobicContact CB-CE2 4.32Å; K186-Y246 HydrophobicContact CB-CG 3.79Å; K186-Y246 HydrophobicContact CD-CD1 4.28Å; K186-Y246 HydrophobicContact CD-CD2 4.28Å; K186-Y246 HydrophobicContact CD-CE1 3.61Å; K186-Y246 HydrophobicContact CD-CE2 3.64Å; K186-Y246 WeakPolarHBondContact CD-OH 3.39Å; K186-Y246 HydrophobicContact CG-CE1 4.22Å; K186-Y246 PolarHBondContact NZ-OH 3.09Å; K186-Y246 CarbonylContact O-C 3.38Å; K186-Y246 VanDerWaalsContact O-CA 3.28Å; K186-Y246 WeakPolarHBondContact O-CA 3.42Å; L188-Y246 VanDerWaalsContact C-CD1 3.5Å; F189-Y246 HydrophobicContact CB-CD1 3.81Å; F189-Y246 HydrophobicContact CB-CD2 4.47Å; F189-Y246 HydrophobicContact CB-CE1 3.63Å; F189-Y246 HydrophobicContact CB-CE2 4.32Å; F189-Y246 HydrophobicContact CB-CG 4.22Å; F189-Y246 AromaticContact CD1-CD1 3.83Å; F189-Y246 HydrophobicContact CD1-CD1 3.83Å; F189-Y246 AromaticContact CD1-CD2 3.71Å; F189-Y246 HydrophobicContact CD1-CD2 3.71Å; F189-Y246 HydrophobicContact CD1-CE1 4.4Å; F189-Y246 HydrophobicContact CD1-CE2 4.28Å; F189-Y246 AromaticContact CD1-CG 3.43Å; F189-Y246 HydrophobicContact CD1-CG 3.43Å; F189-Y246 VanDerWaalsContact CD1-CG 3.43Å; F189-Y246 HydrophobicContact CE1-CD2 4.3Å; F189-Y246 HydrophobicContact CE1-CG 4.2Å; F189-Y246 HydrophobicContact CG-CD1 4.32Å; F189-Y246 HydrophobicContact CG-CD2 4.42Å; F189-Y246 HydrophobicContact CG-CE1 4.49Å; F189-Y246 HydrophobicContact CG-CG 4.27Å; D215-Y246 HydrophobicContact CB-CE1 3.78Å; D215-Y246 VanDerWaalsContact CB-OH 3.32Å; D215-Y246 WeakPolarHBondContact CB-OH 3.29Å; D215-Y246 WeakPolarHBondContact OD2-CE1 3.39Å; D215-Y246 PolarHBondContact OD2-OH 3.18Å; Y217-Y246 PolarHBondContact OH-OH 3.23Å; L242-Y246 HydrophobicContact CB-CD2 4.2Å; L242-Y246 HydrophobicContact CB-CE2 4.1Å; L242-Y246 HydrophobicContact CD2-CD2 4.48Å; L242-Y246 HydrophobicContact CD2-CE2 3.58Å; L242-Y246 HydrophobicContact CG-CE2 4.4Å; L242-Y246 VanDerWaalsContact O-CD2 3.27Å; L242-Y246 WeakPolarHBondContact O-CD2 3.14Å; L242-Y246 PolarHBondContact O-N 2.04Å; Y246-L273 WeakPolarHBondContact O-CD2 3.22Å
247K97.8Very high92.7Very high7 Ų728 Ų283%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-96.4-34.9171.3-70.5173.9-177.9-87.50112.7A181 K184 K186 I187 L273 V274 N312 Y318A181-K247 PolarHBondContact O-NZ 2.98Å; K184-K247 HydrophobicContact CB-CG 3.61Å; K184-K247 HydrophobicContact CG-CG 4.09Å; K186-K247 PolarHBondContact O-N 2.82Å; I187-K247 PolarHBondContact O-N 3.48Å; K247-L273 WeakPolarHBondContact O-CA 3.38Å; K247-V274 PolarHBondContact O-N 3.41Å; K247-N312 HydrophobicContact CD-CB 4.37Å; K247-N312 WeakPolarHBondContact CD-OD1 3.29Å; K247-N312 WeakPolarHBondContact CE-OD1 3.33Å; K247-Y318 VanDerWaalsContact C-OH 3.31Å; K247-Y318 WeakPolarHBondContact CA-OH 3.2Å; K247-Y318 HydrophobicContact CB-CE1 4.49Å; K247-Y318 HydrophobicContact CB-CE2 3.86Å; K247-Y318 HydrophobicContact CG-CE1 4.25Å; K247-Y318 HydrophobicContact CG-CE2 4.39Å; K247-Y318 PolarHBondContact O-OH 3.35Å
248F98.4Very high93.5Very high0 Ų028.8 Ų28.80%014%0.143CC..EExtended strand (participates in β ladder)trans-134.1156.5-172.6-52.7-79.4000111.2I187 L188 F189 V274 I276 I293 L308 L311 Y318I187-F248 HydrophobicContact CG2-CD2 3.92Å; I187-F248 HydrophobicContact CG2-CE2 4.26Å; I187-F248 WeakPolarHBondContact O-CD2 3.4Å; I187-F248 PolarHBondContact O-N 3.38Å; L188-F248 HydrophobicContact CD1-CB 3.66Å; F189-F248 WeakPolarHBondContact CD1-O 3.5Å; F189-F248 PolarHBondContact N-O 2.85Å; F248-V274 WeakPolarHBondContact CA-O 3.35Å; F248-V274 HydrophobicContact CD1-CB 3.78Å; F248-V274 HydrophobicContact CD1-CG1 4.37Å; F248-V274 HydrophobicContact CE1-CB 3.99Å; F248-V274 HydrophobicContact CE1-CG1 4.47Å; F248-V274 HydrophobicContact CE1-CG2 4.36Å; F248-I276 HydrophobicContact CB-CD1 3.87Å; F248-I276 HydrophobicContact CG-CD1 4.41Å; F248-I293 HydrophobicContact CD1-CD1 4.02Å; F248-I293 HydrophobicContact CE1-CD1 3.74Å; F248-L308 HydrophobicContact CD1-CD2 3.8Å; F248-L308 HydrophobicContact CD2-CD2 4.1Å; F248-L308 HydrophobicContact CE1-CD2 3.89Å; F248-L308 HydrophobicContact CE2-CB 4.48Å; F248-L308 HydrophobicContact CE2-CD2 4.16Å; F248-L308 HydrophobicContact CG-CD2 3.94Å; F248-L308 HydrophobicContact CZ-CD2 4.07Å; F248-L311 HydrophobicContact CE1-CD1 3.86Å; F248-L311 HydrophobicContact CE2-CB 4.46Å; F248-L311 HydrophobicContact CZ-CB 3.66Å; F248-L311 HydrophobicContact CZ-CD1 3.81Å; F248-L311 HydrophobicContact CZ-CG 4.42Å; F248-Y318 HydrophobicContact CD1-CE2 4.3Å; F248-Y318 AromaticContact CE1-CD2 3.85Å; F248-Y318 HydrophobicContact CE1-CD2 3.85Å; F248-Y318 AromaticContact CE1-CE2 3.58Å; F248-Y318 HydrophobicContact CE1-CE2 3.58Å; F248-Y318 HydrophobicContact CE2-CD2 4.48Å; F248-Y318 HydrophobicContact CE2-CE2 4.27Å; F248-Y318 AromaticContact CZ-CD2 3.56Å; F248-Y318 HydrophobicContact CZ-CD2 3.56Å; F248-Y318 AromaticContact CZ-CE2 3.54Å; F248-Y318 HydrophobicContact CZ-CE2 3.54Å
249Y97.6Very high94.3Very high4 Ų428.5 Ų28.52%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-141.8145.6169.564.7-81.3000110.6F189 A251 K264 V265 L268 L273 V274 P275 I276F189-Y249 HydrophobicContact CE1-CG 4.42Å; F189-Y249 VanDerWaalsContact CZ-CB 3.44Å; F189-Y249 HydrophobicContact CZ-CG 4.15Å; F189-Y249 VanDerWaalsContact O-CA 3.32Å; F189-Y249 WeakPolarHBondContact O-CA 3.4Å; Y249-A251 HydrophobicContact CD2-CB 4.18Å; Y249-A251 HydrophobicContact CE2-CB 3.86Å; Y249-A251 PolarHBondContact O-N 2.96Å; Y249-K264 WeakPolarHBondContact CE2-O 3.5Å; Y249-V265 PolarHBondContact OH-O 3.17Å; Y249-L268 HydrophobicContact CD1-CB 4.48Å; Y249-L268 HydrophobicContact CD1-CD1 4.27Å; Y249-L268 HydrophobicContact CD2-CD1 3.76Å; Y249-L268 HydrophobicContact CE1-CB 3.87Å; Y249-L268 HydrophobicContact CE1-CD1 4.38Å; Y249-L268 HydrophobicContact CE2-CB 4.08Å; Y249-L268 HydrophobicContact CE2-CD1 3.88Å; Y249-L268 HydrophobicContact CG-CD1 3.95Å; Y249-L273 HydrophobicContact CD1-CB 3.75Å; Y249-L273 HydrophobicContact CE1-CB 3.88Å; Y249-V274 PolarHBondContact N-O 2.85Å; Y249-P275 HydrophobicContact CE1-CB 3.93Å; Y249-P275 HydrophobicContact CE1-CG 4.39Å; Y249-P275 HydrophobicContact CE2-CB 3.81Å; Y249-P275 VanDerWaalsContact CZ-CB 3.45Å; Y249-P275 WeakPolarHBondContact OH-CB 3.06Å; Y249-I276 PolarHBondContact O-N 3.32Å
250L98.3Very high95Very high9 Ų927.9 Ų27.95%0.04714%0.138CC..EExtended strand (participates in β ladder)trans-82.3109.9174.8-59.1-174.2000109.9L188 F189 W190 V205 L208 V214 F252 I276L188-L250 HydrophobicContact CD1-CD2 3.8Å; L188-L250 HydrophobicContact CD1-CG 3.88Å; L188-L250 HydrophobicContact CD2-CD1 4.48Å; L188-L250 HydrophobicContact CD2-CD2 4Å; L188-L250 HydrophobicContact CD2-CG 4.23Å; L188-L250 HydrophobicContact CG-CD2 4.39Å; L188-L250 HydrophobicContact CG-CG 4.3Å; F189-L250 PolarHBondContact O-N 2.67Å; W190-L250 HydrophobicContact CB-CB 4.07Å; W190-L250 HydrophobicContact CB-CD1 3.98Å; W190-L250 HydrophobicContact CB-CG 4.23Å; W190-L250 HydrophobicContact CG-CB 3.99Å; W190-L250 HydrophobicContact CG-CD1 4.06Å; W190-L250 HydrophobicContact CG-CG 4.48Å; V205-L250 HydrophobicContact CB-CD1 4.48Å; V205-L250 HydrophobicContact CG1-CD1 4.21Å; V205-L250 HydrophobicContact CG2-CD1 3.51Å; L208-L250 HydrophobicContact CD2-CD1 4.22Å; L208-L250 HydrophobicContact CD2-CD2 4.38Å; V214-L250 HydrophobicContact CG1-CD1 4.27Å; L250-F252 VanDerWaalsContact C-N 3.26Å; L250-F252 HydrophobicContact CB-CD2 4.24Å; L250-F252 HydrophobicContact CB-CE2 4.36Å; L250-F252 HydrophobicContact CB-CG 4.34Å; L250-F252 HydrophobicContact CD1-CD2 4.22Å; L250-F252 HydrophobicContact CD1-CE2 3.88Å; L250-F252 HydrophobicContact CD1-CZ 4.48Å; L250-F252 HydrophobicContact CD2-CE1 4.26Å; L250-F252 HydrophobicContact CD2-CE2 4Å; L250-F252 HydrophobicContact CD2-CZ 3.77Å; L250-F252 HydrophobicContact CG-CE2 4.31Å; L250-F252 PolarHBondContact O-N 2.86Å; L250-I276 HydrophobicContact CD2-CB 3.9Å; L250-I276 HydrophobicContact CD2-CD1 3.71Å; L250-I276 HydrophobicContact CD2-CG1 4.44Å; L250-I276 HydrophobicContact CD2-CG2 4.11Å
251A97.2Very high95.7Very high3 Ų323.8 Ų23.83%0.02512%0.119CC..  trans-94.744.6174.800000110.9Y249 E253 K264 V265 P275 I276Y249-A251 HydrophobicContact CD2-CB 4.18Å; Y249-A251 HydrophobicContact CE2-CB 3.86Å; Y249-A251 PolarHBondContact O-N 2.96Å; A251-E253 PolarHBondContact O-N 3.01Å; A251-K264 HydrophobicContact CB-CB 4.44Å; A251-V265 HydrophobicContact CB-CG2 3.61Å; A251-P275 HydrophobicContact CB-CB 4.25Å; A251-I276 PolarHBondContact N-O 3.05Å
252F98.3Very high96.2Very high0 Ų019.5 Ų19.50%09%0.093CC..  trans-80.4119.2-176.9-63.9-14.9000111.5R201 Y204 V205 L250 I276 F278 A295R201-F252 HydrophobicContact CB-CB 3.85Å; R201-F252 HydrophobicContact CB-CD2 4.25Å; R201-F252 HydrophobicContact CB-CG 4.48Å; R201-F252 VanDerWaalsContact CD-O 3.24Å; R201-F252 WeakPolarHBondContact CD-O 3.41Å; R201-F252 HydrophobicContact CG-CB 4.46Å; R201-F252 PolarHBondContact NH1-O 2.72Å; Y204-F252 AromaticContact CD1-CE2 3.65Å; Y204-F252 HydrophobicContact CD1-CE2 3.65Å; Y204-F252 HydrophobicContact CD1-CZ 4.06Å; Y204-F252 HydrophobicContact CE1-CE2 4.04Å; Y204-F252 HydrophobicContact CE1-CZ 4Å; V205-F252 HydrophobicContact CG2-CD2 3.87Å; V205-F252 HydrophobicContact CG2-CE2 3.96Å; L250-F252 VanDerWaalsContact C-N 3.26Å; L250-F252 HydrophobicContact CB-CD2 4.24Å; L250-F252 HydrophobicContact CB-CE2 4.36Å; L250-F252 HydrophobicContact CB-CG 4.34Å; L250-F252 HydrophobicContact CD1-CD2 4.22Å; L250-F252 HydrophobicContact CD1-CE2 3.88Å; L250-F252 HydrophobicContact CD1-CZ 4.48Å; L250-F252 HydrophobicContact CD2-CE1 4.26Å; L250-F252 HydrophobicContact CD2-CE2 4Å; L250-F252 HydrophobicContact CD2-CZ 3.77Å; L250-F252 HydrophobicContact CG-CE2 4.31Å; L250-F252 PolarHBondContact O-N 2.86Å; F252-I276 WeakPolarHBondContact CD1-O 3.27Å; F252-I276 HydrophobicContact CE1-CG2 3.92Å; F252-I276 WeakPolarHBondContact CE1-O 3.31Å; F252-I276 HydrophobicContact CZ-CG2 4.19Å; F252-F278 HydrophobicContact CD1-CB 3.88Å; F252-F278 HydrophobicContact CD1-CD2 4.29Å; F252-F278 HydrophobicContact CD1-CG 4.11Å; F252-F278 HydrophobicContact CE1-CB 4.32Å; F252-F278 HydrophobicContact CE1-CD2 4.19Å; F252-F278 HydrophobicContact CE1-CG 4.43Å; F252-F278 HydrophobicContact CG-CB 4.43Å; F252-F278 HydrophobicContact CG-CG 4.29Å; F252-F278 HydrophobicContact CZ-CD2 4.34Å; F252-A295 HydrophobicContact CE1-CB 4Å; F252-A295 HydrophobicContact CZ-CB 3.88Å
253E97.3Very high96.4Very high14 Ų1421.3 Ų21.37%0.06510%0.101CC..  trans-76.4153.7178.6-58.4-59.3174.400113.2S199 R201 A251 S255 Y260 T262 K264S199-E253 WeakPolarHBondContact CB-O 3.39Å; S199-E253 PolarHBondContact OG-O 3.11Å; R201-E253 WeakPolarHBondContact CD-O 3.17Å; A251-E253 PolarHBondContact O-N 3.01Å; E253-S255 WeakPolarHBondContact CB-O 2.98Å; E253-S255 PolarHBondContact O-N 3.01Å; E253-Y260 HydrophobicContact CB-CD1 4.01Å; E253-Y260 HydrophobicContact CB-CE1 3.97Å; E253-Y260 HydrophobicContact CG-CD1 4.12Å; E253-Y260 HydrophobicContact CG-CE1 4.22Å; E253-T262 VanDerWaalsContact CD-CG2 3.49Å; E253-T262 VanDerWaalsContact OE1-CB 3.26Å; E253-T262 WeakPolarHBondContact OE1-CB 3.36Å; E253-T262 WeakPolarHBondContact OE1-CG2 3.31Å; E253-T262 PolarHBondContact OE1-N 3.03Å; E253-T262 PolarHBondContact OE1-OG1 2.97Å; E253-T262 WeakPolarHBondContact OE2-CG2 3.36Å; E253-T262 PolarHBondContact OE2-OG1 2.85Å; E253-K264 WeakPolarHBondContact OE2-CD 3.49Å; E253-K264 WeakPolarHBondContact OE2-CE 3.2Å; E253-K264 IonicContact OE2-NZ 3.56Å; E253-K264 PolarHBondContact OE2-NZ 3.33Å
254T96.9Very high96.6Very high19 Ų1920.6 Ų20.612%0.11710%0.098CC..SBendtrans-63.7-28.2176.952.10000112.2T197 S198 S199T197-T254 VanDerWaalsContact CB-O 3.3Å; T197-T254 WeakPolarHBondContact CB-O 3.41Å; T197-T254 HydrophobicContact CG2-CG2 4Å; T197-T254 PolarHBondContact OG1-O 2.87Å; S198-T254 PolarHBondContact N-O 3.1Å; S199-T254 VanDerWaalsContact CB-O 3.27Å; S199-T254 WeakPolarHBondContact CB-O 3.45Å; S199-T254 PolarHBondContact N-O 2.84Å; S199-T254 PolarHBondContact OG-O 2.89Å
255S97.9Very high96.9Very high1 Ų113.8 Ų13.81%0.0077%0.069CC..SBendtrans-132.3144.9176.6-700000110.8P129 E253P129-S255 WeakPolarHBondContact CG-OG 3.33Å; E253-S255 WeakPolarHBondContact CB-O 2.98Å; E253-S255 PolarHBondContact O-N 3.01Å
256V98.1Very high97Very high7 Ų711 Ų114%0.0425%0.054CC..  trans-104.788176.7-177.60000107.5F278 K279 I282 C376 V377 F380V256-F278 HydrophobicContact CG2-CD1 3.77Å; V256-F278 HydrophobicContact CG2-CE1 4.41Å; V256-F278 HydrophobicContact CG2-CG 4.48Å; V256-K279 HydrophobicContact CG1-CB 3.98Å; V256-K279 HydrophobicContact CG1-CD 3.71Å; V256-K279 HydrophobicContact CG1-CG 4.46Å; V256-I282 HydrophobicContact CB-CD1 4.41Å; V256-I282 HydrophobicContact CG1-CD1 3.43Å; V256-I282 VanDerWaalsContact CG1-CD1 3.43Å; V256-C376 CarbonylContact O-C 3.57Å; V256-C376 WeakPolarHBondContact O-CA 3.38Å; V256-V377 HydrophobicContact CB-CB 4.46Å; V256-V377 HydrophobicContact CG1-CB 4.32Å; V256-V377 PolarHBondContact O-N 2.99Å; V256-F380 HydrophobicContact CB-CB 4.33Å; V256-F380 HydrophobicContact CG1-CD1 4.15Å; V256-F380 HydrophobicContact CG1-CG 4.25Å; V256-F380 HydrophobicContact CG2-CB 3.81Å; V256-F380 HydrophobicContact CG2-CD1 3.88Å; V256-F380 HydrophobicContact CG2-CG 4.09Å
257C98.1Very high96.7Very high0 Ų011.8 Ų11.80%06%0.058CC..  trans-128.2157.8-174.5-59.20000111.5D259 Y260 I282 C376C257-D259 PolarHBondContact O-N 3.36Å; C257-Y260 PolarHBondContact O-N 2.77Å; C257-I282 VanDerWaalsContact O-CD1 3.23Å; C257-I282 WeakPolarHBondContact O-CD1 3.48Å; C257-C376 HydrophobicContact CB-CB 4.14Å; C257-C376 WeakPolarHBondContact CB-SG 3.36Å; C257-C376 WeakPolarHBondContact SG-CB 3.32Å; C257-C376 CovalentContact SG-SG 2.04Å; C257-C376 PolarHBondContact SG-SG 3.15Å
258E97.3Very high96.4Very high41 Ų4111.6 Ų11.619%0.1926%0.057CC..THydrogen-bonded Turntrans-51.4130.5178.2-177.2161.8-137.400111.2Y150 R151 Y260 S374 K375Y150-E258 WeakPolarHBondContact CE2-O 3.49Å; R151-E258 IonicContact NH2-OE2 2.66Å; R151-E258 PolarHBondContact NH2-OE2 2.73Å; E258-Y260 PolarHBondContact O-N 2.73Å; E258-S374 VanDerWaalsContact CB-O 3.3Å; E258-S374 WeakPolarHBondContact CB-O 3.28Å; E258-S374 PolarHBondContact N-O 3.08Å; E258-K375 HydrophobicContact CB-CB 4.3Å; E258-K375 IonicContact OE1-NZ 2.78Å; E258-K375 PolarHBondContact OE1-NZ 3.25Å; E258-K375 WeakPolarHBondContact OE2-CD 3.34Å; E258-K375 VanDerWaalsContact OE2-CE 3.31Å; E258-K375 WeakPolarHBondContact OE2-CE 3.42Å; E258-K375 IonicContact OE2-NZ 2.93Å; E258-K375 PolarHBondContact OE2-NZ 3.48Å
259D97.6Very high96.1Very high8 Ų811.6 Ų11.64%0.0436%0.057CC..THydrogen-bonded Turntrans59.51.9179.5-58-22.2000116.9Y150 R152 C257 V261Y150-D259 HydrophobicContact CD2-CB 4.42Å; R152-D259 VanDerWaalsContact CB-OD2 3.32Å; R152-D259 WeakPolarHBondContact CB-OD2 3.33Å; R152-D259 WeakPolarHBondContact CG-OD2 3.01Å; R152-D259 IonicContact CZ-OD1 3.9Å; R152-D259 IonicContact CZ-OD2 3.2Å; R152-D259 PolarHBondContact N-OD2 2.94Å; R152-D259 IonicContact NE-OD1 2.85Å; R152-D259 PolarHBondContact NE-OD1 3.42Å; R152-D259 IonicContact NE-OD2 2.84Å; R152-D259 PolarHBondContact NE-OD2 3.18Å; R152-D259 IonicContact NH2-OD1 3.68Å; R152-D259 PolarHBondContact NH2-OD1 2.81Å; R152-D259 IonicContact NH2-OD2 2.73Å; C257-D259 PolarHBondContact O-N 3.36Å; D259-V261 PolarHBondContact O-N 2.84Å
260Y98.1Very high95.7Very high9 Ų915.8 Ų15.84%0.0358%0.08CC..  trans-78.690.1-178.2-169.5-114.6000111.3E126 P127 Y150 Y160 E253 C257 E258 T262E126-Y260 PolarHBondContact OE2-OH 2.89Å; P127-Y260 HydrophobicContact CB-CD1 4.14Å; P127-Y260 HydrophobicContact CB-CD2 3.99Å; P127-Y260 HydrophobicContact CB-CE1 4.24Å; P127-Y260 HydrophobicContact CB-CE2 4.11Å; P127-Y260 HydrophobicContact CB-CG 4Å; P127-Y260 VanDerWaalsContact CD-CZ 3.41Å; P127-Y260 WeakPolarHBondContact CD-OH 3.15Å; P127-Y260 HydrophobicContact CG-CD1 4.07Å; P127-Y260 HydrophobicContact CG-CD2 4.28Å; P127-Y260 HydrophobicContact CG-CE1 3.68Å; P127-Y260 HydrophobicContact CG-CE2 3.93Å; P127-Y260 HydrophobicContact CG-CG 4.34Å; Y150-Y260 AromaticContact CD1-CD2 3.89Å; Y150-Y260 HydrophobicContact CD1-CD2 3.89Å; Y150-Y260 HydrophobicContact CD1-CE2 4.3Å; Y150-Y260 AromaticContact CD2-CD2 3.94Å; Y150-Y260 HydrophobicContact CD2-CD2 3.94Å; Y150-Y260 AromaticContact CE1-CD2 3.64Å; Y150-Y260 HydrophobicContact CE1-CD2 3.64Å; Y150-Y260 HydrophobicContact CE1-CE2 4.14Å; Y150-Y260 AromaticContact CE2-CD2 3.73Å; Y150-Y260 HydrophobicContact CE2-CD2 3.73Å; Y150-Y260 HydrophobicContact CE2-CG 4.16Å; Y150-Y260 HydrophobicContact CG-CD2 4.04Å; Y150-Y260 AromaticContact CZ-CD2 3.57Å; Y160-Y260 HydrophobicContact CE2-CE2 4.07Å; E253-Y260 HydrophobicContact CB-CD1 4.01Å; E253-Y260 HydrophobicContact CB-CE1 3.97Å; E253-Y260 HydrophobicContact CG-CD1 4.12Å; E253-Y260 HydrophobicContact CG-CE1 4.22Å; C257-Y260 PolarHBondContact O-N 2.77Å; E258-Y260 PolarHBondContact O-N 2.73Å; Y260-T262 HydrophobicContact CD1-CG2 4.26Å; Y260-T262 HydrophobicContact CD2-CG2 4.13Å; Y260-T262 HydrophobicContact CE1-CG2 3.7Å; Y260-T262 HydrophobicContact CE2-CG2 3.55Å; Y260-T262 HydrophobicContact CG-CG2 4.47Å
261V97.8Very high95.4Very high9 Ų916.4 Ų16.46%0.0559%0.085CC..  trans-127.9120.9173.2-1790000108.1D259 V265 F266 I282 L286 L287D259-V261 PolarHBondContact O-N 2.84Å; V261-V265 HydrophobicContact CG1-CB 3.77Å; V261-V265 HydrophobicContact CG1-CG1 4.11Å; V261-V265 HydrophobicContact CG1-CG2 3.68Å; V261-F266 HydrophobicContact CB-CE2 4.34Å; V261-F266 HydrophobicContact CG1-CE2 3.78Å; V261-F266 HydrophobicContact CG1-CZ 4.03Å; V261-I282 HydrophobicContact CG2-CG2 3.81Å; V261-L286 HydrophobicContact CB-CD1 3.95Å; V261-L286 HydrophobicContact CG2-CD1 3.72Å; V261-L287 HydrophobicContact CG1-CD1 4.05Å
262T95.7Very high95.2Very high0 Ų019 Ų190%010%0.096CC..  trans-108-173.4-166.174.90000113.6Y160 E253 Y260 K264 V265 F266Y160-T262 HydrophobicContact CD2-CG2 4.1Å; Y160-T262 HydrophobicContact CE2-CG2 3.9Å; Y160-T262 HydrophobicContact CG-CG2 4.49Å; E253-T262 VanDerWaalsContact CD-CG2 3.49Å; E253-T262 VanDerWaalsContact OE1-CB 3.26Å; E253-T262 WeakPolarHBondContact OE1-CB 3.36Å; E253-T262 WeakPolarHBondContact OE1-CG2 3.31Å; E253-T262 PolarHBondContact OE1-N 3.03Å; E253-T262 PolarHBondContact OE1-OG1 2.97Å; E253-T262 WeakPolarHBondContact OE2-CG2 3.36Å; E253-T262 PolarHBondContact OE2-OG1 2.85Å; Y260-T262 HydrophobicContact CD1-CG2 4.26Å; Y260-T262 HydrophobicContact CD2-CG2 4.13Å; Y260-T262 HydrophobicContact CE1-CG2 3.7Å; Y260-T262 HydrophobicContact CE2-CG2 3.55Å; Y260-T262 HydrophobicContact CG-CG2 4.47Å; T262-K264 PolarHBondContact O-N 3.06Å; T262-K264 VanDerWaalsContact O-N 3.09Å; T262-K264 PolarHBondContact OG1-N 2.8Å; T262-K264 PolarHBondContact OG1-NZ 3.38Å; T262-K264 VanDerWaalsContact OG1-NZ 3.07Å; T262-V265 PolarHBondContact O-N 2.71Å; T262-F266 WeakPolarHBondContact O-CD2 3.39Å; T262-F266 PolarHBondContact O-N 3.16Å
263E93Very high95.1Very high49 Ų4919.1 Ų19.123%0.22910%0.097CC..Hα-helixtrans-51.9-28.1173.376.6-67.9148.500113.1Y160 V265 F266 N267 F333Y160-E263 HydrophobicContact CD1-CB 4.32Å; Y160-E263 WeakPolarHBondContact CD1-OE2 3.1Å; Y160-E263 WeakPolarHBondContact CE1-OE2 3.06Å; E263-V265 CarbonylContact O-C 3.46Å; E263-V265 PolarHBondContact O-N 2.89Å; E263-V265 VanDerWaalsContact O-N 3.15Å; E263-F266 PolarHBondContact O-N 3.35Å; E263-F266 VanDerWaalsContact O-N 3.13Å; E263-N267 WeakPolarHBondContact CB-ND2 3.49Å; E263-N267 VanDerWaalsContact O-CB 3.29Å; E263-N267 WeakPolarHBondContact O-CB 3.26Å; E263-N267 PolarHBondContact O-N 3.21Å; E263-F333 HydrophobicContact CB-CB 3.7Å; E263-F333 HydrophobicContact CB-CG 4.18Å
264K93.2Very high95.1Very high47 Ų4718.5 Ų18.520%0.2049%0.094CC..Hα-helixtrans-53-37.9175.9-66.1178.2-156.567.20111.6Y249 A251 E253 T262Y249-K264 WeakPolarHBondContact CE2-O 3.5Å; A251-K264 HydrophobicContact CB-CB 4.44Å; E253-K264 WeakPolarHBondContact OE2-CD 3.49Å; E253-K264 WeakPolarHBondContact OE2-CE 3.2Å; E253-K264 IonicContact OE2-NZ 3.56Å; E253-K264 PolarHBondContact OE2-NZ 3.33Å; T262-K264 PolarHBondContact O-N 3.06Å; T262-K264 VanDerWaalsContact O-N 3.09Å; T262-K264 PolarHBondContact OG1-N 2.8Å; T262-K264 PolarHBondContact OG1-NZ 3.38Å; T262-K264 VanDerWaalsContact OG1-NZ 3.07Å
265V95.5Very high95.2Very high2 Ų217.6 Ų17.61%0.0129%0.088CC..Hα-helixtrans-78.7-55.2173.8169.70000110.4Y249 A251 V261 T262 E263 L269 V277 L287Y249-V265 PolarHBondContact OH-O 3.17Å; A251-V265 HydrophobicContact CB-CG2 3.61Å; V261-V265 HydrophobicContact CG1-CB 3.77Å; V261-V265 HydrophobicContact CG1-CG1 4.11Å; V261-V265 HydrophobicContact CG1-CG2 3.68Å; T262-V265 PolarHBondContact O-N 2.71Å; E263-V265 CarbonylContact O-C 3.46Å; E263-V265 PolarHBondContact O-N 2.89Å; E263-V265 VanDerWaalsContact O-N 3.15Å; V265-L269 HydrophobicContact CG1-CD1 3.58Å; V265-L269 HydrophobicContact CG1-CG 4.29Å; V265-L269 VanDerWaalsContact O-CG 3.27Å; V265-L269 WeakPolarHBondContact O-CG 3.1Å; V265-V277 HydrophobicContact CG2-CG1 4.04Å; V265-L287 HydrophobicContact CG1-CD1 4.27Å; V265-L287 HydrophobicContact CG1-CD2 3.81Å; V265-L287 HydrophobicContact CG1-CG 4.27Å
266F94.7Very high95.2Very high2 Ų217.5 Ų17.51%0.0099%0.088CC..Hα-helixtrans-72.9-33.7-164.6-60.3-74.8000115G161 F163 V261 T262 E263 L268 L269 V330G161-F266 VanDerWaalsContact C-CE1 3.49Å; G161-F266 WeakPolarHBondContact O-CE1 3.33Å; G161-F266 WeakPolarHBondContact O-CZ 3.49Å; F163-F266 HydrophobicContact CD2-CE1 4.38Å; F163-F266 HydrophobicContact CE2-CD1 4.25Å; F163-F266 AromaticContact CE2-CE1 3.74Å; F163-F266 HydrophobicContact CE2-CE1 3.74Å; F163-F266 HydrophobicContact CZ-CE1 4.43Å; V261-F266 HydrophobicContact CB-CE2 4.34Å; V261-F266 HydrophobicContact CG1-CE2 3.78Å; V261-F266 HydrophobicContact CG1-CZ 4.03Å; T262-F266 WeakPolarHBondContact O-CD2 3.39Å; T262-F266 PolarHBondContact O-N 3.16Å; E263-F266 PolarHBondContact O-N 3.35Å; E263-F266 VanDerWaalsContact O-N 3.13Å; F266-L268 VanDerWaalsContact C-N 3.3Å; F266-L268 PolarHBondContact O-N 2.88Å; F266-L269 HydrophobicContact CD1-CD1 4.33Å; F266-V330 HydrophobicContact CB-CG2 4.29Å; F266-V330 HydrophobicContact CD1-CG2 4.15Å
267N91.7Very high95.2Very high17 Ų1717.5 Ų17.59%0.0919%0.088CC..THydrogen-bonded Turntrans-68.3-29.5-173.1-71.22000113.3K234 E263 F333K234-N267 PolarHBondContact O-ND2 2.03Å; K234-N267 VanDerWaalsContact O-ND2 3.13Å; E263-N267 WeakPolarHBondContact CB-ND2 3.49Å; E263-N267 VanDerWaalsContact O-CB 3.29Å; E263-N267 WeakPolarHBondContact O-CB 3.26Å; E263-N267 PolarHBondContact O-N 3.21Å; N267-F333 PolarHBondContact OD1-N 2.89Å
268L91.9Very high95.2Very high3 Ų318 Ų182%0.0169%0.09CC..THydrogen-bonded Turntrans-100.3-14.1-176.4-74.9174.8000113.9F189 E239 K243 Y249 F266 D270 S271F189-L268 HydrophobicContact CE2-CD1 4.19Å; F189-L268 HydrophobicContact CZ-CD1 3.72Å; E239-L268 HydrophobicContact CB-CD2 3.73Å; E239-L268 HydrophobicContact CB-CG 4.4Å; E239-L268 HydrophobicContact CG-CD1 4.19Å; E239-L268 HydrophobicContact CG-CD2 4.12Å; E239-L268 HydrophobicContact CG-CG 4.29Å; K243-L268 HydrophobicContact CB-CD2 4.22Å; Y249-L268 HydrophobicContact CD1-CB 4.48Å; Y249-L268 HydrophobicContact CD1-CD1 4.27Å; Y249-L268 HydrophobicContact CD2-CD1 3.76Å; Y249-L268 HydrophobicContact CE1-CB 3.87Å; Y249-L268 HydrophobicContact CE1-CD1 4.38Å; Y249-L268 HydrophobicContact CE2-CB 4.08Å; Y249-L268 HydrophobicContact CE2-CD1 3.88Å; Y249-L268 HydrophobicContact CG-CD1 3.95Å; F266-L268 VanDerWaalsContact C-N 3.3Å; F266-L268 PolarHBondContact O-N 2.88Å; L268-D270 PolarHBondContact O-N 3.36Å; L268-D270 VanDerWaalsContact O-N 3.14Å; L268-S271 VanDerWaalsContact O-CB 3.27Å; L268-S271 WeakPolarHBondContact O-CB 3.31Å; L268-S271 PolarHBondContact O-N 3.22Å
269L91.5Very high95.3Very high0 Ų018.4 Ų18.40%09%0.091CC..THydrogen-bonded Turntrans-60.3-29.6-171.2-98.2171.2000113.9F163 V265 F266 S271 P275 W324 K325 V330F163-L269 HydrophobicContact CE1-CD1 4.03Å; F163-L269 HydrophobicContact CE2-CD1 4.44Å; F163-L269 HydrophobicContact CZ-CD1 3.46Å; F163-L269 VanDerWaalsContact CZ-CD1 3.46Å; V265-L269 HydrophobicContact CG1-CD1 3.58Å; V265-L269 HydrophobicContact CG1-CG 4.29Å; V265-L269 VanDerWaalsContact O-CG 3.27Å; V265-L269 WeakPolarHBondContact O-CG 3.1Å; F266-L269 HydrophobicContact CD1-CD1 4.33Å; L269-S271 VanDerWaalsContact C-N 3.26Å; L269-S271 PolarHBondContact O-N 2.65Å; L269-P275 HydrophobicContact CD2-CG 3.73Å; L269-P275 HydrophobicContact CG-CG 4.29Å; L269-W324 HydrophobicContact CB-CH2 4.4Å; L269-W324 HydrophobicContact CB-CZ2 4.5Å; L269-W324 HydrophobicContact CD2-CH2 4.36Å; L269-W324 HydrophobicContact CD2-CZ2 3.77Å; L269-K325 PolarHBondContact O-NZ 3.38Å; L269-V330 HydrophobicContact CB-CG1 4.42Å; L269-V330 HydrophobicContact CB-CG2 4.3Å
270D90.2Very high95.3Very high92 Ų9221.7 Ų21.749%0.49210%0.103SC..THydrogen-bonded Turntrans-72.5-22.8176.5-161.136.2000112.7L268 H272 K325 V330L268-D270 PolarHBondContact O-N 3.36Å; L268-D270 VanDerWaalsContact O-N 3.14Å; D270-H272 PolarHBondContact O-N 3.19Å; D270-K325 PolarHBondContact O-NZ 2.83Å; D270-K325 VanDerWaalsContact O-NZ 3.14Å; D270-K325 IonicContact OD1-NZ 3.87Å; D270-V330 HydrophobicContact CB-CG1 3.74Å
271S91.9Very high95.3Very high21 Ų2124.7 Ų24.715%0.14713%0.126CC..SBendtrans-82.422.6-165.4-560000116K184 K243 L268 L269 L273K184-S271 PolarHBondContact NZ-O 3.38Å; K243-S271 WeakPolarHBondContact CD-OG 3.48Å; L268-S271 VanDerWaalsContact O-CB 3.27Å; L268-S271 WeakPolarHBondContact O-CB 3.31Å; L268-S271 PolarHBondContact O-N 3.22Å; L269-S271 VanDerWaalsContact C-N 3.26Å; L269-S271 PolarHBondContact O-N 2.65Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 WeakPolarHBondContact O-CD1 3.28Å; S271-L273 PolarHBondContact O-N 2.9Å
272H93Very high95.3Very high58 Ų5825.3 Ų25.327%0.26913%0.128SC..SBendtrans51.150.8-178.2-45.5-56.2000112.7W177 I180 K184 D270 Y322W177-H272 AromaticContact CZ3-CE1 3.77Å; W177-H272 AromaticContact CZ3-ND1 3.59Å; I180-H272 HydrophobicContact CG2-CB 3.64Å; K184-H272 VanDerWaalsContact CE-O 3.22Å; K184-H272 WeakPolarHBondContact CE-O 3.45Å; D270-H272 PolarHBondContact O-N 3.19Å; H272-Y322 VanDerWaalsContact C-OH 3.24Å; H272-Y322 HydrophobicContact CB-CE1 4.45Å; H272-Y322 HydrophobicContact CB-CE2 4.36Å; H272-Y322 PolarHBondContact O-OH 3.16Å
273L95.3Very high95.4Very high3 Ų325.4 Ų25.42%0.01613%0.129CC..  trans-126.5161164.8-60.1119000108.6F189 K243 Y246 K247 Y249 S271F189-L273 HydrophobicContact CE1-CD2 4.04Å; K243-L273 HydrophobicContact CB-CD1 3.65Å; Y246-L273 WeakPolarHBondContact O-CD2 3.22Å; K247-L273 WeakPolarHBondContact O-CA 3.38Å; Y249-L273 HydrophobicContact CD1-CB 3.75Å; Y249-L273 HydrophobicContact CE1-CB 3.88Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 WeakPolarHBondContact O-CD1 3.28Å; S271-L273 PolarHBondContact O-N 2.9Å
274V98.1Very high95.6Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-106.5118177.8-1770000109.3K247 F248 Y249 I293 Y318 Y321 Y322K247-V274 PolarHBondContact O-N 3.41Å; F248-V274 WeakPolarHBondContact CA-O 3.35Å; F248-V274 HydrophobicContact CD1-CB 3.78Å; F248-V274 HydrophobicContact CD1-CG1 4.37Å; F248-V274 HydrophobicContact CE1-CB 3.99Å; F248-V274 HydrophobicContact CE1-CG1 4.47Å; F248-V274 HydrophobicContact CE1-CG2 4.36Å; Y249-V274 PolarHBondContact N-O 2.85Å; V274-I293 HydrophobicContact CG1-CD1 4.07Å; V274-I293 HydrophobicContact CG1-CG1 4.02Å; V274-Y318 HydrophobicContact CB-CE2 4.44Å; V274-Y318 HydrophobicContact CG2-CD2 4.31Å; V274-Y318 HydrophobicContact CG2-CE2 3.62Å; V274-Y321 HydrophobicContact CG1-CD1 3.65Å; V274-Y321 HydrophobicContact CG1-CE1 4.23Å; V274-Y321 HydrophobicContact CG1-CG 3.82Å; V274-Y321 VanDerWaalsContact CG2-CB 3.42Å; V274-Y321 HydrophobicContact CG2-CD2 4.46Å; V274-Y321 HydrophobicContact CG2-CG 3.93Å; V274-Y322 HydrophobicContact CG2-CE1 4.03Å
275P98.2Very high95.8Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-66140.1172.219.9-26.7000111.3Y249 A251 L269 S291 F292 I293Y249-P275 HydrophobicContact CE1-CB 3.93Å; Y249-P275 HydrophobicContact CE1-CG 4.39Å; Y249-P275 HydrophobicContact CE2-CB 3.81Å; Y249-P275 VanDerWaalsContact CZ-CB 3.45Å; Y249-P275 WeakPolarHBondContact OH-CB 3.06Å; A251-P275 HydrophobicContact CB-CB 4.25Å; L269-P275 HydrophobicContact CD2-CG 3.73Å; L269-P275 HydrophobicContact CG-CG 4.29Å; P275-S291 WeakPolarHBondContact CD-O 3.43Å; P275-F292 HydrophobicContact CG-CB 3.93Å; P275-F292 WeakPolarHBondContact O-CA 3.5Å; P275-I293 PolarHBondContact O-N 2.89Å
276I98.8Very high95.8Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-105.2109.6163.6-55.9157000107.2L188 F248 Y249 L250 A251 F252 I293 A295 L304 L308L188-I276 HydrophobicContact CD1-CD1 3.64Å; F248-I276 HydrophobicContact CB-CD1 3.87Å; F248-I276 HydrophobicContact CG-CD1 4.41Å; Y249-I276 PolarHBondContact O-N 3.32Å; L250-I276 HydrophobicContact CD2-CB 3.9Å; L250-I276 HydrophobicContact CD2-CD1 3.71Å; L250-I276 HydrophobicContact CD2-CG1 4.44Å; L250-I276 HydrophobicContact CD2-CG2 4.11Å; A251-I276 PolarHBondContact N-O 3.05Å; F252-I276 WeakPolarHBondContact CD1-O 3.27Å; F252-I276 HydrophobicContact CE1-CG2 3.92Å; F252-I276 WeakPolarHBondContact CE1-O 3.31Å; F252-I276 HydrophobicContact CZ-CG2 4.19Å; I276-I293 CarbonylContact C-O 3.47Å; I276-I293 VanDerWaalsContact CA-O 3.26Å; I276-I293 WeakPolarHBondContact CA-O 3.41Å; I276-I293 HydrophobicContact CG1-CB 4.12Å; I276-I293 HydrophobicContact CG1-CD1 4.48Å; I276-I293 HydrophobicContact CG1-CG2 4.45Å; I276-I293 HydrophobicContact CG2-CG2 4.36Å; I276-A295 HydrophobicContact CG2-CB 4.5Å; I276-L304 HydrophobicContact CG2-CD1 4.39Å; I276-L304 HydrophobicContact CG2-CD2 4.27Å; I276-L308 HydrophobicContact CD1-CD1 3.55Å; I276-L308 HydrophobicContact CD1-CD2 3.78Å; I276-L308 HydrophobicContact CD1-CG 4.31Å; I276-L308 HydrophobicContact CG1-CD2 4.32Å
277V98.6Very high96Very high7 Ų731.2 Ų31.24%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-91159.7177.8-54.60000110.1V265 A283 F292 I293 A294 A295V265-V277 HydrophobicContact CG2-CG1 4.04Å; V277-A283 HydrophobicContact CB-CB 4.16Å; V277-A283 HydrophobicContact CG1-CB 4.06Å; V277-A283 HydrophobicContact CG2-CB 3.73Å; V277-F292 HydrophobicContact CG1-CB 4.38Å; V277-F292 HydrophobicContact CG1-CD2 4.33Å; V277-F292 HydrophobicContact CG2-CD2 3.49Å; V277-F292 VanDerWaalsContact CG2-CD2 3.49Å; V277-F292 HydrophobicContact CG2-CE2 3.79Å; V277-F292 HydrophobicContact CG2-CG 4.44Å; V277-I293 PolarHBondContact N-O 2.02Å; V277-A294 HydrophobicContact CG2-CB 3.84Å; V277-A294 WeakPolarHBondContact O-CA 3.09Å; V277-A295 PolarHBondContact O-N 3.15Å
278F97.8Very high96.2Very high10 Ų1031 Ų314%0.04416%0.163CC..SBendtrans-76.4-44-175.5-146175000112.5R201 Y204 F252 V256 A295 D296 F380 L384R201-F278 HydrophobicContact CB-CD1 4.31Å; R201-F278 HydrophobicContact CB-CE1 3.68Å; R201-F278 HydrophobicContact CB-CZ 4.2Å; Y204-F278 HydrophobicContact CD1-CE2 4.34Å; Y204-F278 HydrophobicContact CD2-CE2 4.01Å; Y204-F278 AromaticContact CG-CE2 3.86Å; Y204-F278 HydrophobicContact CG-CE2 3.86Å; Y204-F278 HydrophobicContact CG-CZ 4.24Å; F252-F278 HydrophobicContact CD1-CB 3.88Å; F252-F278 HydrophobicContact CD1-CD2 4.29Å; F252-F278 HydrophobicContact CD1-CG 4.11Å; F252-F278 HydrophobicContact CE1-CB 4.32Å; F252-F278 HydrophobicContact CE1-CD2 4.19Å; F252-F278 HydrophobicContact CE1-CG 4.43Å; F252-F278 HydrophobicContact CG-CB 4.43Å; F252-F278 HydrophobicContact CG-CG 4.29Å; F252-F278 HydrophobicContact CZ-CD2 4.34Å; V256-F278 HydrophobicContact CG2-CD1 3.77Å; V256-F278 HydrophobicContact CG2-CE1 4.41Å; V256-F278 HydrophobicContact CG2-CG 4.48Å; F278-A295 HydrophobicContact CD2-CB 4.13Å; F278-D296 PolarHBondContact O-N 3.5Å; F278-F380 AromaticContact CD1-CD1 3.93Å; F278-F380 HydrophobicContact CD1-CD1 3.93Å; F278-F380 AromaticContact CD2-CD1 3.87Å; F278-F380 HydrophobicContact CD2-CD1 3.87Å; F278-F380 HydrophobicContact CD2-CE1 4.03Å; F278-F380 HydrophobicContact CE1-CD1 4.15Å; F278-F380 HydrophobicContact CE2-CD1 4.15Å; F278-F380 AromaticContact CG-CD1 3.82Å; F278-F380 HydrophobicContact CG-CD1 3.82Å; F278-F380 HydrophobicContact CG-CE1 4.15Å; F278-F380 HydrophobicContact CZ-CD1 4.3Å; F278-F380 WeakPolarHBondContact O-CE1 3.36Å; F278-L384 HydrophobicContact CD2-CD1 3.76Å; F278-L384 HydrophobicContact CE2-CD1 3.63Å
279K98.3Very high96.5Very high49 Ų4940.8 Ų40.821%0.21321%0.205CC..  trans-131.1122.4-174.2-167.7174.5-17761.80111.8V256 S281 I282 A283 D296 F380V256-K279 HydrophobicContact CG1-CB 3.98Å; V256-K279 HydrophobicContact CG1-CD 3.71Å; V256-K279 HydrophobicContact CG1-CG 4.46Å; K279-S281 VanDerWaalsContact CE-OG 3.31Å; K279-S281 WeakPolarHBondContact CE-OG 3.47Å; K279-S281 PolarHBondContact O-N 2.66Å; K279-I282 HydrophobicContact CB-CD1 4.14Å; K279-I282 HydrophobicContact CD-CD1 3.9Å; K279-I282 HydrophobicContact CD-CG1 4.31Å; K279-I282 HydrophobicContact CG-CD1 4.42Å; K279-I282 PolarHBondContact O-N 2.89Å; K279-A283 PolarHBondContact O-N 3.19Å; K279-D296 WeakPolarHBondContact CA-OD1 3.35Å; K279-D296 VanDerWaalsContact CG-OD2 3.27Å; K279-D296 WeakPolarHBondContact CG-OD2 3.19Å; K279-D296 IonicContact NZ-OD2 2.86Å; K279-F380 HydrophobicContact CB-CE1 3.83Å; K279-F380 HydrophobicContact CB-CZ 4.05Å; K279-F380 HydrophobicContact CD-CE1 4.46Å; K279-F380 HydrophobicContact CD-CE2 4.33Å; K279-F380 HydrophobicContact CD-CZ 4.01Å; K279-F380 HydrophobicContact CG-CE1 4.2Å; K279-F380 HydrophobicContact CG-CZ 3.89Å
280R98.2Very high96.7Very high77 Ų7742.5 Ų42.529%0.29122%0.224SC..Hα-helixtrans-57.4-47.7-178.1173.5166.8-70.3-71.5-3.1112.8I282 A283 Q284 A294 D296 D297R280-I282 PolarHBondContact O-N 2.86Å; R280-A283 PolarHBondContact O-N 3.45Å; R280-A283 VanDerWaalsContact O-N 3.17Å; R280-Q284 HydrophobicContact CG-CB 4.29Å; R280-Q284 WeakPolarHBondContact O-CB 3.45Å; R280-Q284 PolarHBondContact O-N 2.94Å; R280-A294 HydrophobicContact CB-CB 3.64Å; R280-D296 PolarHBondContact N-OD1 3.17Å; R280-D296 PolarHBondContact N-OD2 2.72Å; R280-D297 WeakPolarHBondContact CD-OD1 3.31Å; R280-D297 IonicContact CZ-OD1 2.67Å; R280-D297 IonicContact CZ-OD2 2.85Å; R280-D297 VanDerWaalsContact CZ-OD2 3.23Å; R280-D297 VanDerWaalsContact NE-CG 3.32Å; R280-D297 IonicContact NE-OD1 3.05Å; R280-D297 PolarHBondContact NE-OD1 3.24Å; R280-D297 IonicContact NE-OD2 3.74Å; R280-D297 PolarHBondContact NE-OD2 2.86Å; R280-D297 IonicContact NH2-OD1 3.77Å; R280-D297 IonicContact NH2-OD2 3.25Å; R280-D297 PolarHBondContact NH2-OD2 3.22Å
281S97.6Very high97.1Very high73 Ų7338.2 Ų38.251%0.5120%0.201SC..Hα-helixtrans-65.3-22.8-17264.20000114.1K279 P285K279-S281 VanDerWaalsContact CE-OG 3.31Å; K279-S281 WeakPolarHBondContact CE-OG 3.47Å; K279-S281 PolarHBondContact O-N 2.66Å; S281-P285 VanDerWaalsContact O-CD 3.29Å; S281-P285 WeakPolarHBondContact O-CD 3.44Å
282I97.9Very high97.4Very high22 Ų2237.4 Ų37.411%0.11320%0.195CC..Hα-helixtrans-80.4-41.7175.1-69.9167.7000110.9V256 C257 V261 K279 R280V256-I282 HydrophobicContact CB-CD1 4.41Å; V256-I282 HydrophobicContact CG1-CD1 3.43Å; V256-I282 VanDerWaalsContact CG1-CD1 3.43Å; C257-I282 VanDerWaalsContact O-CD1 3.23Å; C257-I282 WeakPolarHBondContact O-CD1 3.48Å; V261-I282 HydrophobicContact CG2-CG2 3.81Å; K279-I282 HydrophobicContact CB-CD1 4.14Å; K279-I282 HydrophobicContact CD-CD1 3.9Å; K279-I282 HydrophobicContact CD-CG1 4.31Å; K279-I282 HydrophobicContact CG-CD1 4.42Å; K279-I282 PolarHBondContact O-N 2.89Å; R280-I282 PolarHBondContact O-N 2.86Å
283A97.6Very high97.6Very high1 Ų134.8 Ų34.81%0.00818%0.182CC..Hα-helixtrans-81.8-38.6-176.400000113.5V277 K279 R280 P285 L286 L287 F292V277-A283 HydrophobicContact CB-CB 4.16Å; V277-A283 HydrophobicContact CG1-CB 4.06Å; V277-A283 HydrophobicContact CG2-CB 3.73Å; K279-A283 PolarHBondContact O-N 3.19Å; R280-A283 PolarHBondContact O-N 3.45Å; R280-A283 VanDerWaalsContact O-N 3.17Å; A283-P285 VanDerWaalsContact C-CD 3.44Å; A283-P285 VanDerWaalsContact C-N 3.34Å; A283-L286 PolarHBondContact O-N 3.32Å; A283-L287 HydrophobicContact CB-CD1 4.07Å; A283-L287 HydrophobicContact CB-CD2 4.45Å; A283-L287 VanDerWaalsContact O-CD1 3.26Å; A283-L287 WeakPolarHBondContact O-CD1 3.39Å; A283-L287 PolarHBondContact O-N 3.39Å; A283-F292 HydrophobicContact CB-CD2 4.41Å; A283-F292 HydrophobicContact CB-CE1 4.44Å; A283-F292 HydrophobicContact CB-CE2 4.01Å; A283-F292 HydrophobicContact CB-CZ 4.02Å
284Q97.6Very high97.8Very high113 Ų11334.6 Ų34.653%0.52818%0.182SC..THydrogen-bonded Turntrans-54-38.4-172.6177.8174.8-33.100114.9R280 L286 F292R280-Q284 HydrophobicContact CG-CB 4.29Å; R280-Q284 WeakPolarHBondContact O-CB 3.45Å; R280-Q284 PolarHBondContact O-N 2.94Å; Q284-L286 VanDerWaalsContact C-N 3.26Å; Q284-L286 PolarHBondContact O-N 3.2Å; Q284-F292 HydrophobicContact CB-CZ 4.07Å
285P97Very high97.8Very high66 Ų6634.6 Ų34.643%0.42918%0.182SC..THydrogen-bonded Turntrans-70.7-19177.3-20.134.1000114.5S281 A283S281-P285 VanDerWaalsContact O-CD 3.29Å; S281-P285 WeakPolarHBondContact O-CD 3.44Å; A283-P285 VanDerWaalsContact C-CD 3.44Å; A283-P285 VanDerWaalsContact C-N 3.34Å
286L97.1Very high97.8Very high33 Ų3336.1 Ų36.117%0.17319%0.19CC..THydrogen-bonded Turntrans-107.4-19.6-172.9-65.8172.3000113R152 F157 F163 V261 A283 Q284R152-L286 HydrophobicContact CG-CD2 4.18Å; F157-L286 HydrophobicContact CZ-CD2 4.15Å; F163-L286 WeakPolarHBondContact CD2-O 3.45Å; F163-L286 WeakPolarHBondContact CE2-O 3.32Å; V261-L286 HydrophobicContact CB-CD1 3.95Å; V261-L286 HydrophobicContact CG2-CD1 3.72Å; A283-L286 PolarHBondContact O-N 3.32Å; Q284-L286 VanDerWaalsContact C-N 3.26Å; Q284-L286 PolarHBondContact O-N 3.2Å
287L97.4Very high97.8Very high10 Ų1039.7 Ų39.75%0.05221%0.209CC..SBendtrans-112.9142.9-175.1-79.374.3000111.6F163 V261 V265 A283 F292F163-L287 HydrophobicContact CE2-CB 4.45Å; F163-L287 HydrophobicContact CE2-CG 4.2Å; F163-L287 HydrophobicContact CZ-CG 4.38Å; V261-L287 HydrophobicContact CG1-CD1 4.05Å; V265-L287 HydrophobicContact CG1-CD1 4.27Å; V265-L287 HydrophobicContact CG1-CD2 3.81Å; V265-L287 HydrophobicContact CG1-CG 4.27Å; A283-L287 HydrophobicContact CB-CD1 4.07Å; A283-L287 HydrophobicContact CB-CD2 4.45Å; A283-L287 VanDerWaalsContact O-CD1 3.26Å; A283-L287 WeakPolarHBondContact O-CD1 3.39Å; A283-L287 PolarHBondContact O-N 3.39Å; L287-F292 HydrophobicContact CB-CD1 3.64Å; L287-F292 HydrophobicContact CB-CE1 3.72Å; L287-F292 HydrophobicContact CD2-CB 3.84Å; L287-F292 HydrophobicContact CD2-CD1 3.44Å; L287-F292 VanDerWaalsContact CD2-CD1 3.44Å; L287-F292 HydrophobicContact CD2-CE1 4.18Å; L287-F292 HydrophobicContact CD2-CG 3.79Å; L287-F292 HydrophobicContact CG-CD1 4.2Å
288P97.2Very high97.7Very high13 Ų1340.3 Ų40.38%0.08421%0.211CC..  trans-55.2142.4173.1-25.932.9000111.9F163 G290 S291 W324 Y328F163-P288 HydrophobicContact CD1-CG 3.62Å; F163-P288 HydrophobicContact CD2-CG 4.14Å; F163-P288 VanDerWaalsContact CE1-CD 3.49Å; F163-P288 HydrophobicContact CE1-CG 3.69Å; F163-P288 HydrophobicContact CE2-CG 4.23Å; F163-P288 HydrophobicContact CG-CG 3.83Å; F163-P288 HydrophobicContact CZ-CG 3.98Å; P288-G290 PolarHBondContact O-N 3.49Å; P288-S291 VanDerWaalsContact O-CB 3.28Å; P288-S291 WeakPolarHBondContact O-CB 3.22Å; P288-S291 PolarHBondContact O-N 3.34Å; P288-S291 PolarHBondContact O-OG 3.16Å; P288-W324 HydrophobicContact CB-CB 3.7Å; P288-W324 HydrophobicContact CB-CG 4.19Å; P288-W324 HydrophobicContact CG-CB 4.37Å; P288-W324 HydrophobicContact CG-CD2 4.43Å; P288-W324 HydrophobicContact CG-CE3 4.18Å; P288-Y328 HydrophobicContact CB-CD2 4.16Å; P288-Y328 HydrophobicContact CB-CE2 4.23Å; P288-Y328 HydrophobicContact CG-CD2 4.03Å; P288-Y328 HydrophobicContact CG-CE2 4.43Å; P288-Y328 HydrophobicContact CG-CG 4.23Å
289K96.4Very high97.6Very high208 Ų20844.7 Ų44.790%0.90424%0.235SC*.THydrogen-bonded Turntrans-55.3129.2176.7-174.5177.1180177.90110.6S291K289-S291 VanDerWaalsContact C-N 3.33Å
290G96.5Very high97.5Very high37 Ų3744.8 Ų44.838%0.38124%0.237SC..THydrogen-bonded Turntrans75.115.9179.700000114.7P288 Y321P288-G290 PolarHBondContact O-N 3.49Å; G290-Y321 VanDerWaalsContact O-CA 3.29Å; G290-Y321 WeakPolarHBondContact O-CA 3.46Å; G290-Y321 VanDerWaalsContact O-CD1 3.24Å; G290-Y321 WeakPolarHBondContact O-CD1 3.46Å
291S97.7Very high97.5Very high1 Ų141.2 Ų41.21%0.00722%0.224CC..SBendtrans-89.7-9.2176.162.40000114.7P275 P288 K289 W324P275-S291 WeakPolarHBondContact CD-O 3.43Å; P288-S291 VanDerWaalsContact O-CB 3.28Å; P288-S291 WeakPolarHBondContact O-CB 3.22Å; P288-S291 PolarHBondContact O-N 3.34Å; P288-S291 PolarHBondContact O-OG 3.16Å; K289-S291 VanDerWaalsContact C-N 3.33Å; S291-W324 VanDerWaalsContact CA-CD1 3.5Å; S291-W324 VanDerWaalsContact CB-NE1 3.34Å
292F98.5Very high97.5Very high5 Ų541.9 Ų41.92%0.02222%0.218CC..  trans-146.8160-17468-87.2000112P275 V277 A283 Q284 L287 A294 Y321P275-F292 HydrophobicContact CG-CB 3.93Å; P275-F292 WeakPolarHBondContact O-CA 3.5Å; V277-F292 HydrophobicContact CG1-CB 4.38Å; V277-F292 HydrophobicContact CG1-CD2 4.33Å; V277-F292 HydrophobicContact CG2-CD2 3.49Å; V277-F292 VanDerWaalsContact CG2-CD2 3.49Å; V277-F292 HydrophobicContact CG2-CE2 3.79Å; V277-F292 HydrophobicContact CG2-CG 4.44Å; A283-F292 HydrophobicContact CB-CD2 4.41Å; A283-F292 HydrophobicContact CB-CE1 4.44Å; A283-F292 HydrophobicContact CB-CE2 4.01Å; A283-F292 HydrophobicContact CB-CZ 4.02Å; Q284-F292 HydrophobicContact CB-CZ 4.07Å; L287-F292 HydrophobicContact CB-CD1 3.64Å; L287-F292 HydrophobicContact CB-CE1 3.72Å; L287-F292 HydrophobicContact CD2-CB 3.84Å; L287-F292 HydrophobicContact CD2-CD1 3.44Å; L287-F292 VanDerWaalsContact CD2-CD1 3.44Å; L287-F292 HydrophobicContact CD2-CE1 4.18Å; L287-F292 HydrophobicContact CD2-CG 3.79Å; L287-F292 HydrophobicContact CG-CD1 4.2Å; F292-A294 HydrophobicContact CD2-CB 4.38Å; F292-A294 HydrophobicContact CE2-CB 4.12Å; F292-Y321 WeakPolarHBondContact O-CE1 3.29Å
293I98.8Very high97.5Very high2 Ų244.5 Ų44.51%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-104.4140.8168.3-62.7168.7000107.4F248 V274 P275 I276 V277 F298 L304 Y307 L308 L311 Y321F248-I293 HydrophobicContact CD1-CD1 4.02Å; F248-I293 HydrophobicContact CE1-CD1 3.74Å; V274-I293 HydrophobicContact CG1-CD1 4.07Å; V274-I293 HydrophobicContact CG1-CG1 4.02Å; P275-I293 PolarHBondContact O-N 2.89Å; I276-I293 CarbonylContact C-O 3.47Å; I276-I293 VanDerWaalsContact CA-O 3.26Å; I276-I293 WeakPolarHBondContact CA-O 3.41Å; I276-I293 HydrophobicContact CG1-CB 4.12Å; I276-I293 HydrophobicContact CG1-CD1 4.48Å; I276-I293 HydrophobicContact CG1-CG2 4.45Å; I276-I293 HydrophobicContact CG2-CG2 4.36Å; V277-I293 PolarHBondContact N-O 2.02Å; I293-F298 HydrophobicContact CG2-CE2 3.61Å; I293-F298 HydrophobicContact CG2-CZ 3.98Å; I293-L304 HydrophobicContact CG2-CD1 3.96Å; I293-Y307 HydrophobicContact CD1-CD1 4.36Å; I293-Y307 HydrophobicContact CD1-CE1 4.01Å; I293-Y307 HydrophobicContact CG1-CE1 4.28Å; I293-L308 HydrophobicContact CD1-CD2 3.68Å; I293-L311 HydrophobicContact CD1-CD1 3.69Å; I293-Y321 HydrophobicContact CD1-CE1 4.42Å; I293-Y321 HydrophobicContact CD1-CE2 4.41Å; I293-Y321 HydrophobicContact CG1-CD1 4.41Å; I293-Y321 HydrophobicContact CG1-CE1 3.58Å; I293-Y321 HydrophobicContact CG1-CE2 4.36Å; I293-Y321 WeakPolarHBondContact CG1-OH 3.11Å
294A98.7Very high97.6Very high0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-111.9131.8174.200000110.7V277 R280 F292 D296 D297 F298V277-A294 HydrophobicContact CG2-CB 3.84Å; V277-A294 WeakPolarHBondContact O-CA 3.09Å; R280-A294 HydrophobicContact CB-CB 3.64Å; F292-A294 HydrophobicContact CD2-CB 4.38Å; F292-A294 HydrophobicContact CE2-CB 4.12Å; A294-D296 VanDerWaalsContact CB-OD1 3.29Å; A294-D296 WeakPolarHBondContact CB-OD1 3.4Å; A294-D296 PolarHBondContact O-N 2.71Å; A294-D297 WeakPolarHBondContact O-CB 3.39Å; A294-D297 PolarHBondContact O-N 3.36Å; A294-F298 WeakPolarHBondContact O-CD2 3.19Å; A294-F298 VanDerWaalsContact O-CE2 3.25Å; A294-F298 WeakPolarHBondContact O-CE2 3.42Å
295A98.6Very high97.6Very high0 Ų039 Ų390%020%0.204CC..G310 helixtrans-66-26-177.300000112.9Y204 F252 I276 V277 F278 D297 F298 L304 L384Y204-A295 HydrophobicContact CE1-CB 4.22Å; F252-A295 HydrophobicContact CE1-CB 4Å; F252-A295 HydrophobicContact CZ-CB 3.88Å; I276-A295 HydrophobicContact CG2-CB 4.5Å; V277-A295 PolarHBondContact O-N 3.15Å; F278-A295 HydrophobicContact CD2-CB 4.13Å; A295-D297 VanDerWaalsContact C-N 3.3Å; A295-D297 PolarHBondContact O-N 3.5Å; A295-F298 PolarHBondContact O-N 3.42Å; A295-L304 HydrophobicContact CB-CD2 4.27Å; A295-L384 HydrophobicContact CB-CD1 4.4Å
296D97.7Very high97.7Very high32 Ų3239.6 Ų39.617%0.17120%0.203CC..G310 helixtrans-77.9-9.7178.566.7-32000114.7F278 K279 R280 A294 F298 F380 L384 K389F278-D296 PolarHBondContact O-N 3.5Å; K279-D296 WeakPolarHBondContact CA-OD1 3.35Å; K279-D296 VanDerWaalsContact CG-OD2 3.27Å; K279-D296 WeakPolarHBondContact CG-OD2 3.19Å; K279-D296 IonicContact NZ-OD2 2.86Å; R280-D296 PolarHBondContact N-OD1 3.17Å; R280-D296 PolarHBondContact N-OD2 2.72Å; A294-D296 VanDerWaalsContact CB-OD1 3.29Å; A294-D296 WeakPolarHBondContact CB-OD1 3.4Å; A294-D296 PolarHBondContact O-N 2.71Å; D296-F298 PolarHBondContact O-N 3.3Å; D296-F380 HydrophobicContact CB-CE1 4.27Å; D296-F380 HydrophobicContact CB-CZ 3.82Å; D296-L384 HydrophobicContact CB-CD1 4.08Å; D296-L384 HydrophobicContact CB-CD2 3.91Å; D296-K389 PolarHBondContact O-NZ 2.92Å
297D98Very high97.8Very high74 Ų7441.3 Ų41.340%0.39621%0.208SC..G310 helixtrans-69.4-17.6171.3-64.4-30.8000112.9R280 A294 A295R280-D297 WeakPolarHBondContact CD-OD1 3.31Å; R280-D297 IonicContact CZ-OD1 2.67Å; R280-D297 IonicContact CZ-OD2 2.85Å; R280-D297 VanDerWaalsContact CZ-OD2 3.23Å; R280-D297 VanDerWaalsContact NE-CG 3.32Å; R280-D297 IonicContact NE-OD1 3.05Å; R280-D297 PolarHBondContact NE-OD1 3.24Å; R280-D297 IonicContact NE-OD2 3.74Å; R280-D297 PolarHBondContact NE-OD2 2.86Å; R280-D297 IonicContact NH2-OD1 3.77Å; R280-D297 IonicContact NH2-OD2 3.25Å; R280-D297 PolarHBondContact NH2-OD2 3.22Å; A294-D297 WeakPolarHBondContact O-CB 3.39Å; A294-D297 PolarHBondContact O-N 3.36Å; A295-D297 VanDerWaalsContact C-N 3.3Å; A295-D297 PolarHBondContact O-N 3.5Å
298F97.8Very high97.8Very high21 Ų2140.8 Ų40.89%0.09221%0.205CC..SBendtrans-106.9143.8-175.3-56.4-83.8000110.5I293 A294 A295 D296 D300 E303 L304 Y307 K389I293-F298 HydrophobicContact CG2-CE2 3.61Å; I293-F298 HydrophobicContact CG2-CZ 3.98Å; A294-F298 WeakPolarHBondContact O-CD2 3.19Å; A294-F298 VanDerWaalsContact O-CE2 3.25Å; A294-F298 WeakPolarHBondContact O-CE2 3.42Å; A295-F298 PolarHBondContact O-N 3.42Å; D296-F298 PolarHBondContact O-N 3.3Å; F298-D300 VanDerWaalsContact C-N 3.28Å; F298-D300 PolarHBondContact O-N 3.37Å; F298-E303 HydrophobicContact CB-CB 4.18Å; F298-E303 HydrophobicContact CB-CG 4.44Å; F298-E303 HydrophobicContact CD1-CB 4.39Å; F298-E303 HydrophobicContact CD1-CG 3.97Å; F298-L304 HydrophobicContact CB-CB 4.2Å; F298-L304 HydrophobicContact CD1-CB 4.48Å; F298-L304 HydrophobicContact CD2-CB 3.9Å; F298-L304 HydrophobicContact CD2-CD1 3.68Å; F298-L304 HydrophobicContact CD2-CG 4.33Å; F298-L304 HydrophobicContact CE2-CB 4.46Å; F298-L304 HydrophobicContact CE2-CD1 3.43Å; F298-L304 VanDerWaalsContact CE2-CD1 3.43Å; F298-L304 HydrophobicContact CG-CB 3.92Å; F298-L304 HydrophobicContact CG-CD1 4.42Å; F298-L304 HydrophobicContact CZ-CD1 3.99Å; F298-Y307 VanDerWaalsContact CE1-CB 3.46Å; F298-Y307 AromaticContact CE1-CD1 3.82Å; F298-Y307 HydrophobicContact CE1-CD1 3.82Å; F298-Y307 HydrophobicContact CE1-CD2 4.31Å; F298-Y307 AromaticContact CE1-CG 3.6Å; F298-Y307 HydrophobicContact CE1-CG 3.6Å; F298-Y307 AromaticContact CZ-CD1 3.42Å; F298-Y307 HydrophobicContact CZ-CD1 3.42Å; F298-Y307 VanDerWaalsContact CZ-CD1 3.42Å; F298-Y307 HydrophobicContact CZ-CE1 4.08Å; F298-Y307 AromaticContact CZ-CG 3.75Å; F298-Y307 HydrophobicContact CZ-CG 3.75Å; F298-K389 PolarHBondContact O-NZ 2.68Å
299N95.4Very high97.9Very high101 Ų10142.2 Ų42.254%0.5421%0.212SC..SBendtrans-61.1-36.8-178.3-66.6-56.2000112.5E303 K389N299-E303 WeakPolarHBondContact CB-OE2 3.23Å; N299-E303 VanDerWaalsContact CG-OE2 3.3Å; N299-E303 PolarHBondContact N-OE2 3.39Å; N299-E303 PolarHBondContact ND2-OE2 2.69Å; N299-K389 VanDerWaalsContact O-CE 3.24Å; N299-K389 WeakPolarHBondContact O-CE 3.47Å
300D95.6Very high98Very high51 Ų5137.7 Ų37.727%0.27319%0.19SC..SBendtrans-153.3174.1179.46537.6000111.4F298 K302 E303 L304F298-D300 VanDerWaalsContact C-N 3.28Å; F298-D300 PolarHBondContact O-N 3.37Å; D300-K302 PolarHBondContact O-N 2.8Å; D300-K302 VanDerWaalsContact OD1-CA 3.31Å; D300-K302 WeakPolarHBondContact OD1-CA 3.06Å; D300-K302 WeakPolarHBondContact OD1-CB 3.49Å; D300-K302 PolarHBondContact OD1-N 2.98Å; D300-E303 PolarHBondContact O-N 2.83Å; D300-E303 PolarHBondContact OD1-N 3.08Å; D300-L304 PolarHBondContact O-N 3.22Å
301P97.9Very high98.1Very high2 Ų235.9 Ų35.91%0.01317%0.172CC..Hα-helixtrans-62.4-23.1177-24.434.8000114.7Y204 K207 L208 Y211 A305 T385Y204-P301 HydrophobicContact CD2-CG 3.94Å; Y204-P301 HydrophobicContact CE1-CB 4.36Å; Y204-P301 HydrophobicContact CE1-CG 4.37Å; Y204-P301 HydrophobicContact CE2-CB 4.33Å; Y204-P301 HydrophobicContact CE2-CG 3.6Å; Y204-P301 HydrophobicContact CG-CG 4.47Å; K207-P301 HydrophobicContact CB-CB 4.47Å; K207-P301 HydrophobicContact CB-CG 4.02Å; K207-P301 HydrophobicContact CG-CB 4.2Å; K207-P301 HydrophobicContact CG-CG 3.71Å; L208-P301 HydrophobicContact CB-CB 4.15Å; L208-P301 HydrophobicContact CD1-CB 4.17Å; L208-P301 WeakPolarHBondContact CD1-O 2.96Å; Y211-P301 HydrophobicContact CD2-CB 4.34Å; Y211-P301 HydrophobicContact CE2-CB 4.44Å; P301-A305 WeakPolarHBondContact O-CB 3.45Å; P301-A305 PolarHBondContact O-N 2.89Å; P301-T385 HydrophobicContact CG-CG2 4.03Å
302K98.1Very high98.1Very high88 Ų8838.1 Ų38.138%0.38318%0.184SC..Hα-helixtrans-70.7-44.3178-175.9-174.4176.3-63.50110.1Y211 D300 L304 A305 D306Y211-K302 HydrophobicContact CD1-CB 3.77Å; Y211-K302 HydrophobicContact CD1-CD 4Å; Y211-K302 HydrophobicContact CD1-CG 3.57Å; Y211-K302 HydrophobicContact CD2-CB 3.76Å; Y211-K302 HydrophobicContact CD2-CG 4.42Å; Y211-K302 HydrophobicContact CE1-CB 3.8Å; Y211-K302 HydrophobicContact CE1-CD 3.88Å; Y211-K302 HydrophobicContact CE1-CG 3.85Å; Y211-K302 HydrophobicContact CE2-CB 3.8Å; Y211-K302 HydrophobicContact CG-CB 3.74Å; Y211-K302 HydrophobicContact CG-CG 3.88Å; D300-K302 PolarHBondContact O-N 2.8Å; D300-K302 VanDerWaalsContact OD1-CA 3.31Å; D300-K302 WeakPolarHBondContact OD1-CA 3.06Å; D300-K302 WeakPolarHBondContact OD1-CB 3.49Å; D300-K302 PolarHBondContact OD1-N 2.98Å; K302-L304 VanDerWaalsContact C-N 3.32Å; K302-L304 PolarHBondContact O-N 2.81Å; K302-A305 WeakPolarHBondContact O-CA 3.34Å; K302-A305 WeakPolarHBondContact O-CB 3.5Å; K302-A305 PolarHBondContact O-N 2.85Å; K302-A305 VanDerWaalsContact O-N 3.07Å; K302-D306 IonicContact NZ-OD1 3.06Å; K302-D306 IonicContact NZ-OD2 3.73Å; K302-D306 PolarHBondContact NZ-OD2 2.96Å; K302-D306 PolarHBondContact O-N 3.32Å
303E98.2Very high98.1Very high76 Ų7646.3 Ų46.336%0.35522%0.22SC..Hα-helixtrans-64.3-38.5178.5-167.4-172.8-177.400111.6F298 N299 D300 A305 D306 Y307F298-E303 HydrophobicContact CB-CB 4.18Å; F298-E303 HydrophobicContact CB-CG 4.44Å; F298-E303 HydrophobicContact CD1-CB 4.39Å; F298-E303 HydrophobicContact CD1-CG 3.97Å; N299-E303 WeakPolarHBondContact CB-OE2 3.23Å; N299-E303 VanDerWaalsContact CG-OE2 3.3Å; N299-E303 PolarHBondContact N-OE2 3.39Å; N299-E303 PolarHBondContact ND2-OE2 2.69Å; D300-E303 PolarHBondContact O-N 2.83Å; D300-E303 PolarHBondContact OD1-N 3.08Å; E303-A305 PolarHBondContact O-N 3.25Å; E303-D306 PolarHBondContact O-N 2.72Å; E303-Y307 PolarHBondContact O-N 2.96Å
304L98.6Very high98Very high0 Ų048.7 Ų48.70%023%0.232CC..Hα-helixtrans-58.8-46.9169.2174.164000111Y204 L208 I276 I293 A295 F298 D300 K302 D306 Y307 L308Y204-L304 HydrophobicContact CE1-CD2 3.93Å; Y204-L304 VanDerWaalsContact OH-CD2 3.3Å; Y204-L304 WeakPolarHBondContact OH-CD2 3.32Å; L208-L304 HydrophobicContact CD1-CD2 4.33Å; L208-L304 HydrophobicContact CD2-CD2 4.32Å; I276-L304 HydrophobicContact CG2-CD1 4.39Å; I276-L304 HydrophobicContact CG2-CD2 4.27Å; I293-L304 HydrophobicContact CG2-CD1 3.96Å; A295-L304 HydrophobicContact CB-CD2 4.27Å; F298-L304 HydrophobicContact CB-CB 4.2Å; F298-L304 HydrophobicContact CD1-CB 4.48Å; F298-L304 HydrophobicContact CD2-CB 3.9Å; F298-L304 HydrophobicContact CD2-CD1 3.68Å; F298-L304 HydrophobicContact CD2-CG 4.33Å; F298-L304 HydrophobicContact CE2-CB 4.46Å; F298-L304 HydrophobicContact CE2-CD1 3.43Å; F298-L304 VanDerWaalsContact CE2-CD1 3.43Å; F298-L304 HydrophobicContact CG-CB 3.92Å; F298-L304 HydrophobicContact CG-CD1 4.42Å; F298-L304 HydrophobicContact CZ-CD1 3.99Å; D300-L304 PolarHBondContact O-N 3.22Å; K302-L304 VanDerWaalsContact C-N 3.32Å; K302-L304 PolarHBondContact O-N 2.81Å; L304-D306 PolarHBondContact O-N 2.9Å; L304-Y307 PolarHBondContact O-N 2.96Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CD2 4.36Å; L304-L308 HydrophobicContact CD1-CG 4.04Å; L304-L308 HydrophobicContact CG-CD1 4.09Å; L304-L308 HydrophobicContact CG-CG 4.38Å; L304-L308 VanDerWaalsContact O-CG 3.31Å; L304-L308 WeakPolarHBondContact O-CG 3.4Å; L304-L308 PolarHBondContact O-N 3.46Å
305A98.8Very high97.9Very high0 Ų050.5 Ų50.50%024%0.239CC..Hα-helixtrans-60.5-43.2178.800000112.4L208 M212 P301 K302 E303 Y307 L308 N309L208-A305 HydrophobicContact CD1-CB 3.94Å; M212-A305 HydrophobicContact CB-CB 4.14Å; M212-A305 HydrophobicContact CG-CB 3.93Å; M212-A305 HydrophobicContact SD-CB 3.77Å; P301-A305 WeakPolarHBondContact O-CB 3.45Å; P301-A305 PolarHBondContact O-N 2.89Å; K302-A305 WeakPolarHBondContact O-CA 3.34Å; K302-A305 WeakPolarHBondContact O-CB 3.5Å; K302-A305 PolarHBondContact O-N 2.85Å; K302-A305 VanDerWaalsContact O-N 3.07Å; E303-A305 PolarHBondContact O-N 3.25Å; A305-Y307 VanDerWaalsContact C-N 3.31Å; A305-Y307 PolarHBondContact O-N 2.78Å; A305-L308 PolarHBondContact O-N 3.49Å; A305-N309 WeakPolarHBondContact O-CB 3.46Å; A305-N309 PolarHBondContact O-N 3.43Å; A305-N309 PolarHBondContact O-ND2 3.16Å; A305-N309 VanDerWaalsContact O-ND2 3.16Å
306D98.8Very high97.8Very high77 Ų7754.5 Ų54.541%0.41226%0.258SS..Hα-helixtrans-60.9-41.8176.4-70.1-26.3000110.8K302 E303 L304 N309 Y310K302-D306 IonicContact NZ-OD1 3.06Å; K302-D306 IonicContact NZ-OD2 3.73Å; K302-D306 PolarHBondContact NZ-OD2 2.96Å; K302-D306 PolarHBondContact O-N 3.32Å; E303-D306 PolarHBondContact O-N 2.72Å; L304-D306 PolarHBondContact O-N 2.9Å; D306-N309 PolarHBondContact O-N 3.16Å; D306-Y310 PolarHBondContact O-N 3.39Å
307Y98.8Very high97.9Very high69 Ų6953.9 Ų53.927%0.27126%0.257SS..Hα-helixtrans-65.8-43.4176.2-173.7-110.8000113.3I293 F298 E303 L304 A305 N309 Y310 L311 Y321I293-Y307 HydrophobicContact CD1-CD1 4.36Å; I293-Y307 HydrophobicContact CD1-CE1 4.01Å; I293-Y307 HydrophobicContact CG1-CE1 4.28Å; F298-Y307 VanDerWaalsContact CE1-CB 3.46Å; F298-Y307 AromaticContact CE1-CD1 3.82Å; F298-Y307 HydrophobicContact CE1-CD1 3.82Å; F298-Y307 HydrophobicContact CE1-CD2 4.31Å; F298-Y307 AromaticContact CE1-CG 3.6Å; F298-Y307 HydrophobicContact CE1-CG 3.6Å; F298-Y307 AromaticContact CZ-CD1 3.42Å; F298-Y307 HydrophobicContact CZ-CD1 3.42Å; F298-Y307 VanDerWaalsContact CZ-CD1 3.42Å; F298-Y307 HydrophobicContact CZ-CE1 4.08Å; F298-Y307 AromaticContact CZ-CG 3.75Å; F298-Y307 HydrophobicContact CZ-CG 3.75Å; E303-Y307 PolarHBondContact O-N 2.96Å; L304-Y307 PolarHBondContact O-N 2.96Å; A305-Y307 VanDerWaalsContact C-N 3.31Å; A305-Y307 PolarHBondContact O-N 2.78Å; Y307-N309 VanDerWaalsContact C-N 3.3Å; Y307-N309 PolarHBondContact O-N 2.76Å; Y307-Y310 HydrophobicContact CD2-CD1 4.13Å; Y307-Y310 HydrophobicContact CE2-CD1 4.03Å; Y307-Y310 HydrophobicContact CE2-CE1 4.32Å; Y307-Y310 WeakPolarHBondContact O-CB 2.97Å; Y307-Y310 PolarHBondContact O-N 2.93Å; Y307-L311 HydrophobicContact CD1-CD1 4.01Å; Y307-L311 HydrophobicContact CD1-CG 4.42Å; Y307-L311 HydrophobicContact CE1-CD1 3.48Å; Y307-L311 VanDerWaalsContact CE1-CD1 3.48Å; Y307-L311 HydrophobicContact CE1-CG 4.04Å; Y307-L311 HydrophobicContact CE2-CG 4.48Å; Y307-L311 WeakPolarHBondContact O-CG 3.13Å; Y307-L311 PolarHBondContact O-N 3.43Å; Y307-Y321 WeakPolarHBondContact CE1-OH 3.31Å; Y307-Y321 PolarHBondContact OH-OH 2.85Å
308L98.8Very high97.9Very high0 Ų050.3 Ų50.30%024%0.238CC..Hα-helixtrans-64.6-36.9176.2-64.3178.2000111.6L188 M212 F248 I276 I293 L304 A305 L311 N312L188-L308 HydrophobicContact CD2-CD1 4.04Å; M212-L308 HydrophobicContact CE-CB 4.1Å; M212-L308 HydrophobicContact CE-CD1 3.99Å; M212-L308 HydrophobicContact SD-CB 4.35Å; M212-L308 HydrophobicContact SD-CD1 3.74Å; F248-L308 HydrophobicContact CD1-CD2 3.8Å; F248-L308 HydrophobicContact CD2-CD2 4.1Å; F248-L308 HydrophobicContact CE1-CD2 3.89Å; F248-L308 HydrophobicContact CE2-CB 4.48Å; F248-L308 HydrophobicContact CE2-CD2 4.16Å; F248-L308 HydrophobicContact CG-CD2 3.94Å; F248-L308 HydrophobicContact CZ-CD2 4.07Å; I276-L308 HydrophobicContact CD1-CD1 3.55Å; I276-L308 HydrophobicContact CD1-CD2 3.78Å; I276-L308 HydrophobicContact CD1-CG 4.31Å; I276-L308 HydrophobicContact CG1-CD2 4.32Å; I293-L308 HydrophobicContact CD1-CD2 3.68Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CD2 4.36Å; L304-L308 HydrophobicContact CD1-CG 4.04Å; L304-L308 HydrophobicContact CG-CD1 4.09Å; L304-L308 HydrophobicContact CG-CG 4.38Å; L304-L308 VanDerWaalsContact O-CG 3.31Å; L304-L308 WeakPolarHBondContact O-CG 3.4Å; L304-L308 PolarHBondContact O-N 3.46Å; A305-L308 PolarHBondContact O-N 3.49Å; L308-L311 PolarHBondContact O-N 2.8Å; L308-N312 VanDerWaalsContact O-CB 3.29Å; L308-N312 WeakPolarHBondContact O-CB 3.31Å; L308-N312 PolarHBondContact O-N 2.86Å
309N98.6Very high97.8Very high43 Ų4350.2 Ų50.223%0.2324%0.238CC..Hα-helixtrans-66.3-38.8173.4-78.4-37000112.4A305 D306 Y307 N312 K313A305-N309 WeakPolarHBondContact O-CB 3.46Å; A305-N309 PolarHBondContact O-N 3.43Å; A305-N309 PolarHBondContact O-ND2 3.16Å; A305-N309 VanDerWaalsContact O-ND2 3.16Å; D306-N309 PolarHBondContact O-N 3.16Å; Y307-N309 VanDerWaalsContact C-N 3.3Å; Y307-N309 PolarHBondContact O-N 2.76Å; N309-N312 PolarHBondContact O-N 2.91Å; N309-K313 WeakPolarHBondContact O-CG 3.24Å; N309-K313 PolarHBondContact O-N 3.3Å; N309-K313 VanDerWaalsContact O-N 3.16Å
310Y98.6Very high97.9Very high112 Ų11249.3 Ų49.344%0.43923%0.231SC..Hα-helixtrans-59.1-52171.5160.2-104.9000111.2D306 Y307 N312 K313 N314 A317D306-Y310 PolarHBondContact O-N 3.39Å; Y307-Y310 HydrophobicContact CD2-CD1 4.13Å; Y307-Y310 HydrophobicContact CE2-CD1 4.03Å; Y307-Y310 HydrophobicContact CE2-CE1 4.32Å; Y307-Y310 WeakPolarHBondContact O-CB 2.97Å; Y307-Y310 PolarHBondContact O-N 2.93Å; Y310-N312 VanDerWaalsContact C-N 3.29Å; Y310-N312 PolarHBondContact O-N 2.92Å; Y310-K313 PolarHBondContact O-N 3.43Å; Y310-K313 VanDerWaalsContact O-N 3.16Å; Y310-N314 HydrophobicContact CD2-CB 4.35Å; Y310-N314 HydrophobicContact CE2-CB 3.96Å; Y310-N314 WeakPolarHBondContact O-CB 3.34Å; Y310-N314 PolarHBondContact O-N 3.27Å; Y310-N314 PolarHBondContact OH-ND2 3.47Å; Y310-N314 VanDerWaalsContact OH-ND2 3.16Å; Y310-A317 HydrophobicContact CE1-CB 3.8Å; Y310-A317 WeakPolarHBondContact OH-CB 3.17Å
311L98.4Very high98Very high0 Ų048.3 Ų48.30%022%0.223CC..Hα-helixtrans-63.7-34.4178.3-66.7-178.9000112.6F248 I293 Y307 L308 K313 N314 A317 Y318 Y321F248-L311 HydrophobicContact CE1-CD1 3.86Å; F248-L311 HydrophobicContact CE2-CB 4.46Å; F248-L311 HydrophobicContact CZ-CB 3.66Å; F248-L311 HydrophobicContact CZ-CD1 3.81Å; F248-L311 HydrophobicContact CZ-CG 4.42Å; I293-L311 HydrophobicContact CD1-CD1 3.69Å; Y307-L311 HydrophobicContact CD1-CD1 4.01Å; Y307-L311 HydrophobicContact CD1-CG 4.42Å; Y307-L311 HydrophobicContact CE1-CD1 3.48Å; Y307-L311 VanDerWaalsContact CE1-CD1 3.48Å; Y307-L311 HydrophobicContact CE1-CG 4.04Å; Y307-L311 HydrophobicContact CE2-CG 4.48Å; Y307-L311 WeakPolarHBondContact O-CG 3.13Å; Y307-L311 PolarHBondContact O-N 3.43Å; L308-L311 PolarHBondContact O-N 2.8Å; L311-K313 VanDerWaalsContact C-N 3.29Å; L311-K313 PolarHBondContact O-N 3.29Å; L311-N314 CarbonylContact O-C 3.58Å; L311-N314 PolarHBondContact O-N 2.93Å; L311-N314 VanDerWaalsContact O-O 3.14Å; L311-A317 HydrophobicContact CD2-CB 3.67Å; L311-Y318 HydrophobicContact CB-CD2 4.48Å; L311-Y321 HydrophobicContact CD1-CD2 4.34Å; L311-Y321 HydrophobicContact CD1-CE2 3.66Å; L311-Y321 HydrophobicContact CD2-CE2 4.2Å
312N97.7Very high97.9Very high48 Ų4848.3 Ų48.326%0.25722%0.223SC..Hα-helixtrans-59.6-41.3175.1-179.552000111.9I187 K247 L308 N309 Y310I187-N312 HydrophobicContact CD1-CB 4.3Å; I187-N312 WeakPolarHBondContact CD1-ND2 3.37Å; I187-N312 HydrophobicContact CG1-CB 4.43Å; K247-N312 HydrophobicContact CD-CB 4.37Å; K247-N312 WeakPolarHBondContact CD-OD1 3.29Å; K247-N312 WeakPolarHBondContact CE-OD1 3.33Å; L308-N312 VanDerWaalsContact O-CB 3.29Å; L308-N312 WeakPolarHBondContact O-CB 3.31Å; L308-N312 PolarHBondContact O-N 2.86Å; N309-N312 PolarHBondContact O-N 2.91Å; Y310-N312 VanDerWaalsContact C-N 3.29Å; Y310-N312 PolarHBondContact O-N 2.92Å
313K97.4Very high97.8Very high177 Ų17750.7 Ų50.777%0.7723%0.233SC*.Hα-helixtrans-84.3-23179.9-65.3173.7-176.6177.80113.3N309 Y310 L311N309-K313 WeakPolarHBondContact O-CG 3.24Å; N309-K313 PolarHBondContact O-N 3.3Å; N309-K313 VanDerWaalsContact O-N 3.16Å; Y310-K313 PolarHBondContact O-N 3.43Å; Y310-K313 VanDerWaalsContact O-N 3.16Å; L311-K313 VanDerWaalsContact C-N 3.29Å; L311-K313 PolarHBondContact O-N 3.29Å
314N98Very high97.7Very high51 Ų5147.7 Ų47.727%0.27322%0.219SC..  trans-111.889.9-179.3-172.2-19.6000111.2Y310 L311 E316 A317 Y318Y310-N314 HydrophobicContact CD2-CB 4.35Å; Y310-N314 HydrophobicContact CE2-CB 3.96Å; Y310-N314 WeakPolarHBondContact O-CB 3.34Å; Y310-N314 PolarHBondContact O-N 3.27Å; Y310-N314 PolarHBondContact OH-ND2 3.47Å; Y310-N314 VanDerWaalsContact OH-ND2 3.16Å; L311-N314 CarbonylContact O-C 3.58Å; L311-N314 PolarHBondContact O-N 2.93Å; L311-N314 VanDerWaalsContact O-O 3.14Å; N314-E316 PolarHBondContact O-N 3.42Å; N314-E316 WeakPolarHBondContact OD1-CB 3.5Å; N314-E316 PolarHBondContact OD1-N 3Å; N314-E316 VanDerWaalsContact OD1-N 3.13Å; N314-A317 HydrophobicContact CB-CB 4.13Å; N314-A317 PolarHBondContact O-N 3.04Å; N314-A317 PolarHBondContact OD1-N 3.29Å; N314-A317 VanDerWaalsContact OD1-N 3.09Å; N314-Y318 PolarHBondContact O-N 3.23Å
315W96.2Very high97.6Very high39 Ų3948 Ų4815%0.14822%0.22CC..Hα-helixtrans-61.1-29.8-179.676.5-88.6000112.9R174 R178 A181 L182 Y318 I319R174-W315 HydrophobicContact CG-CH2 3.76Å; R174-W315 HydrophobicContact CG-CZ3 4.08Å; R178-W315 HydrophobicContact CB-CD2 4.38Å; R178-W315 HydrophobicContact CB-CE3 3.84Å; R178-W315 HydrophobicContact CB-CH2 3.76Å; R178-W315 HydrophobicContact CB-CZ2 4.34Å; R178-W315 HydrophobicContact CB-CZ3 3.49Å; R178-W315 VanDerWaalsContact CB-CZ3 3.49Å; R178-W315 HydrophobicContact CG-CD2 3.93Å; R178-W315 HydrophobicContact CG-CE3 3.91Å; R178-W315 HydrophobicContact CG-CH2 3.89Å; R178-W315 HydrophobicContact CG-CZ2 3.95Å; R178-W315 HydrophobicContact CG-CZ3 3.88Å; A181-W315 HydrophobicContact CB-CB 4.2Å; L182-W315 HydrophobicContact CD2-CB 4.23Å; W315-Y318 PolarHBondContact O-N 2.87Å; W315-I319 HydrophobicContact CE3-CD1 4Å; W315-I319 HydrophobicContact CE3-CG1 4.2Å; W315-I319 HydrophobicContact CE3-CG2 4.21Å; W315-I319 HydrophobicContact CZ3-CD1 3.56Å; W315-I319 HydrophobicContact CZ3-CG1 4.26Å; W315-I319 WeakPolarHBondContact O-CG1 3.33Å; W315-I319 WeakPolarHBondContact O-CG2 3.42Å; W315-I319 PolarHBondContact O-N 3.42Å
316E97.4Very high97.5Very high84 Ų8448.6 Ų48.639%0.39323%0.226SC..Hα-helixtrans-70.1-41.2-178.4-60-167.4166.800111.9R174 N314 I319 Q320R174-E316 IonicContact CZ-OE1 3.23Å; R174-E316 IonicContact NH2-OE1 2.63Å; R174-E316 PolarHBondContact NH2-OE1 3.17Å; R174-E316 IonicContact NH2-OE2 2.81Å; R174-E316 PolarHBondContact NH2-OE2 2.7Å; N314-E316 PolarHBondContact O-N 3.42Å; N314-E316 WeakPolarHBondContact OD1-CB 3.5Å; N314-E316 PolarHBondContact OD1-N 3Å; N314-E316 VanDerWaalsContact OD1-N 3.13Å; E316-I319 WeakPolarHBondContact O-CG1 3.3Å; E316-Q320 WeakPolarHBondContact O-CG 3.42Å; E316-Q320 PolarHBondContact O-NE2 3.02Å
317A98.1Very high97.4Very high18 Ų1850.4 Ų50.415%0.14923%0.231CC..Hα-helixtrans-66.6-41.9171.900000110.9Y310 L311 N314 I319 Q320Y310-A317 HydrophobicContact CE1-CB 3.8Å; Y310-A317 WeakPolarHBondContact OH-CB 3.17Å; L311-A317 HydrophobicContact CD2-CB 3.67Å; N314-A317 HydrophobicContact CB-CB 4.13Å; N314-A317 PolarHBondContact O-N 3.04Å; N314-A317 PolarHBondContact OD1-N 3.29Å; N314-A317 VanDerWaalsContact OD1-N 3.09Å; A317-I319 PolarHBondContact O-N 3.34Å; A317-Q320 VanDerWaalsContact O-CB 3.27Å; A317-Q320 WeakPolarHBondContact O-CB 3.47Å; A317-Q320 WeakPolarHBondContact O-CG 3.3Å; A317-Q320 PolarHBondContact O-N 3.03Å
318Y98.1Very high97.4Very high0 Ų051 Ų510%023%0.233CC..Hα-helixtrans-60.1-46.8179.3179.3-116.3000112.8A181 K247 F248 V274 L311 N314 W315 Q320 Y321 Y322A181-Y318 HydrophobicContact CB-CD1 3.8Å; A181-Y318 HydrophobicContact CB-CE1 4.2Å; K247-Y318 VanDerWaalsContact C-OH 3.31Å; K247-Y318 WeakPolarHBondContact CA-OH 3.2Å; K247-Y318 HydrophobicContact CB-CE1 4.49Å; K247-Y318 HydrophobicContact CB-CE2 3.86Å; K247-Y318 HydrophobicContact CG-CE1 4.25Å; K247-Y318 HydrophobicContact CG-CE2 4.39Å; K247-Y318 PolarHBondContact O-OH 3.35Å; F248-Y318 HydrophobicContact CD1-CE2 4.3Å; F248-Y318 AromaticContact CE1-CD2 3.85Å; F248-Y318 HydrophobicContact CE1-CD2 3.85Å; F248-Y318 AromaticContact CE1-CE2 3.58Å; F248-Y318 HydrophobicContact CE1-CE2 3.58Å; F248-Y318 HydrophobicContact CE2-CD2 4.48Å; F248-Y318 HydrophobicContact CE2-CE2 4.27Å; F248-Y318 AromaticContact CZ-CD2 3.56Å; F248-Y318 HydrophobicContact CZ-CD2 3.56Å; F248-Y318 AromaticContact CZ-CE2 3.54Å; F248-Y318 HydrophobicContact CZ-CE2 3.54Å; V274-Y318 HydrophobicContact CB-CE2 4.44Å; V274-Y318 HydrophobicContact CG2-CD2 4.31Å; V274-Y318 HydrophobicContact CG2-CE2 3.62Å; L311-Y318 HydrophobicContact CB-CD2 4.48Å; N314-Y318 PolarHBondContact O-N 3.23Å; W315-Y318 PolarHBondContact O-N 2.87Å; Y318-Q320 PolarHBondContact O-N 2.93Å; Y318-Q320 VanDerWaalsContact O-N 3.13Å; Y318-Y321 PolarHBondContact O-N 2.78Å; Y318-Y321 VanDerWaalsContact O-N 3.16Å; Y318-Y322 HydrophobicContact CE1-CE2 4.15Å; Y318-Y322 AromaticContact CE1-CZ 3.78Å; Y318-Y322 WeakPolarHBondContact CE1-OH 3.31Å; Y318-Y322 AromaticContact CZ-CZ 3.93Å; Y318-Y322 PolarHBondContact OH-OH 2.85Å
319I96.6Very high97.2Very high18 Ų1855.2 Ų55.29%0.09225%0.253CS..G310 helixtrans-70.3-9.7-178.864.1157000113.6W177 A181 W315 E316 A317 Y321 Y322W177-I319 HydrophobicContact CB-CB 4.26Å; W177-I319 HydrophobicContact CB-CD1 3.95Å; W177-I319 HydrophobicContact CB-CG2 3.98Å; A181-I319 HydrophobicContact CB-CG2 3.68Å; W315-I319 HydrophobicContact CE3-CD1 4Å; W315-I319 HydrophobicContact CE3-CG1 4.2Å; W315-I319 HydrophobicContact CE3-CG2 4.21Å; W315-I319 HydrophobicContact CZ3-CD1 3.56Å; W315-I319 HydrophobicContact CZ3-CG1 4.26Å; W315-I319 WeakPolarHBondContact O-CG1 3.33Å; W315-I319 WeakPolarHBondContact O-CG2 3.42Å; W315-I319 PolarHBondContact O-N 3.42Å; E316-I319 WeakPolarHBondContact O-CG1 3.3Å; A317-I319 PolarHBondContact O-N 3.34Å; I319-Y321 PolarHBondContact O-N 3Å; I319-Y322 HydrophobicContact CB-CD2 4.27Å; I319-Y322 HydrophobicContact CG2-CD2 4.2Å; I319-Y322 HydrophobicContact CG2-CE2 4.31Å; I319-Y322 WeakPolarHBondContact O-CB 3.39Å; I319-Y322 PolarHBondContact O-N 3.36Å
320Q97.3Very high97.1Very high83 Ų8354.3 Ų54.339%0.38825%0.249SC..G310 helixtrans-59.6-30.9171.3-58.3-53.6-51.900111.2E316 A317 Y318 Y322 K323E316-Q320 WeakPolarHBondContact O-CG 3.42Å; E316-Q320 PolarHBondContact O-NE2 3.02Å; A317-Q320 VanDerWaalsContact O-CB 3.27Å; A317-Q320 WeakPolarHBondContact O-CB 3.47Å; A317-Q320 WeakPolarHBondContact O-CG 3.3Å; A317-Q320 PolarHBondContact O-N 3.03Å; Y318-Q320 PolarHBondContact O-N 2.93Å; Y318-Q320 VanDerWaalsContact O-N 3.13Å; Q320-Y322 PolarHBondContact O-N 2.91Å; Q320-Y322 VanDerWaalsContact O-N 3.16Å; Q320-K323 WeakPolarHBondContact O-CB 3.39Å; Q320-K323 WeakPolarHBondContact O-CG 3.36Å; Q320-K323 PolarHBondContact O-N 3.49Å
321Y97.8Very high97Very high30 Ų3049.4 Ų49.412%0.11823%0.231CC..G310 helixtrans-70.1-4.4175.9-71.3-84.9000114.3V274 G290 F292 I293 Y307 L311 Y318 I319 W324V274-Y321 HydrophobicContact CG1-CD1 3.65Å; V274-Y321 HydrophobicContact CG1-CE1 4.23Å; V274-Y321 HydrophobicContact CG1-CG 3.82Å; V274-Y321 VanDerWaalsContact CG2-CB 3.42Å; V274-Y321 HydrophobicContact CG2-CD2 4.46Å; V274-Y321 HydrophobicContact CG2-CG 3.93Å; G290-Y321 VanDerWaalsContact O-CA 3.29Å; G290-Y321 WeakPolarHBondContact O-CA 3.46Å; G290-Y321 VanDerWaalsContact O-CD1 3.24Å; G290-Y321 WeakPolarHBondContact O-CD1 3.46Å; F292-Y321 WeakPolarHBondContact O-CE1 3.29Å; I293-Y321 HydrophobicContact CD1-CE1 4.42Å; I293-Y321 HydrophobicContact CD1-CE2 4.41Å; I293-Y321 HydrophobicContact CG1-CD1 4.41Å; I293-Y321 HydrophobicContact CG1-CE1 3.58Å; I293-Y321 HydrophobicContact CG1-CE2 4.36Å; I293-Y321 WeakPolarHBondContact CG1-OH 3.11Å; Y307-Y321 WeakPolarHBondContact CE1-OH 3.31Å; Y307-Y321 PolarHBondContact OH-OH 2.85Å; L311-Y321 HydrophobicContact CD1-CD2 4.34Å; L311-Y321 HydrophobicContact CD1-CE2 3.66Å; L311-Y321 HydrophobicContact CD2-CE2 4.2Å; Y318-Y321 PolarHBondContact O-N 2.78Å; Y318-Y321 VanDerWaalsContact O-N 3.16Å; I319-Y321 PolarHBondContact O-N 3Å; Y321-W324 PolarHBondContact O-NE1 3.28Å
322Y96.1Very high96.7Very high2 Ų251.5 Ų51.51%0.00825%0.245CC..G310 helixtrans-103.1-5175.7-60.2-21.3000113.5W177 I180 H272 V274 Y318 I319 Q320 W324 K325W177-Y322 HydrophobicContact CD2-CD2 4.19Å; W177-Y322 AromaticContact CE3-CD2 3.57Å; W177-Y322 HydrophobicContact CE3-CD2 3.57Å; W177-Y322 HydrophobicContact CE3-CE2 4.23Å; W177-Y322 HydrophobicContact CE3-CG 4.37Å; W177-Y322 AromaticContact CZ3-CD2 3.89Å; W177-Y322 HydrophobicContact CZ3-CD2 3.89Å; W177-Y322 HydrophobicContact CZ3-CG 4.37Å; I180-Y322 HydrophobicContact CG2-CE2 4.46Å; H272-Y322 VanDerWaalsContact C-OH 3.24Å; H272-Y322 HydrophobicContact CB-CE1 4.45Å; H272-Y322 HydrophobicContact CB-CE2 4.36Å; H272-Y322 PolarHBondContact O-OH 3.16Å; V274-Y322 HydrophobicContact CG2-CE1 4.03Å; Y318-Y322 HydrophobicContact CE1-CE2 4.15Å; Y318-Y322 AromaticContact CE1-CZ 3.78Å; Y318-Y322 WeakPolarHBondContact CE1-OH 3.31Å; Y318-Y322 AromaticContact CZ-CZ 3.93Å; Y318-Y322 PolarHBondContact OH-OH 2.85Å; I319-Y322 HydrophobicContact CB-CD2 4.27Å; I319-Y322 HydrophobicContact CG2-CD2 4.2Å; I319-Y322 HydrophobicContact CG2-CE2 4.31Å; I319-Y322 WeakPolarHBondContact O-CB 3.39Å; I319-Y322 PolarHBondContact O-N 3.36Å; Q320-Y322 PolarHBondContact O-N 2.91Å; Q320-Y322 VanDerWaalsContact O-N 3.16Å; Y322-W324 PolarHBondContact O-N 2.72Å; Y322-W324 VanDerWaalsContact O-N 3.15Å; Y322-K325 HydrophobicContact CD1-CD 4.32Å; Y322-K325 HydrophobicContact CG-CD 4.32Å; Y322-K325 VanDerWaalsContact O-CB 3.24Å; Y322-K325 WeakPolarHBondContact O-CB 3.23Å; Y322-K325 WeakPolarHBondContact O-CG 3.43Å; Y322-K325 PolarHBondContact O-N 3.39Å
323K95.6Very high96.5Very high137 Ų13750.3 Ų50.360%0.59624%0.237SC*.G310 helixtrans-53-39.3-178.8-81.1176.9156.2172.40112.9Q320 K325 G326 F327Q320-K323 WeakPolarHBondContact O-CB 3.39Å; Q320-K323 WeakPolarHBondContact O-CG 3.36Å; Q320-K323 PolarHBondContact O-N 3.49Å; K323-K325 PolarHBondContact O-N 3.4Å; K323-G326 PolarHBondContact O-N 2.95Å; K323-F327 WeakPolarHBondContact O-CD2 3.22Å
324W96.7Very high96.2Very high13 Ų1342.5 Ų42.55%0.04921%0.205CC..G310 helixtrans-60.2-27.8178.869.8-92.6000113.3F163 L269 P288 S291 Y321 Y322 G326 F327 Y328F163-W324 HydrophobicContact CD1-CE3 4.28Å; F163-W324 AromaticContact CD1-CZ3 3.87Å; F163-W324 HydrophobicContact CD1-CZ3 3.87Å; F163-W324 HydrophobicContact CE1-CE3 4.07Å; F163-W324 AromaticContact CE1-CH2 3.9Å; F163-W324 HydrophobicContact CE1-CH2 3.9Å; F163-W324 AromaticContact CE1-CZ3 3.6Å; F163-W324 HydrophobicContact CE1-CZ3 3.6Å; L269-W324 HydrophobicContact CB-CH2 4.4Å; L269-W324 HydrophobicContact CB-CZ2 4.5Å; L269-W324 HydrophobicContact CD2-CH2 4.36Å; L269-W324 HydrophobicContact CD2-CZ2 3.77Å; P288-W324 HydrophobicContact CB-CB 3.7Å; P288-W324 HydrophobicContact CB-CG 4.19Å; P288-W324 HydrophobicContact CG-CB 4.37Å; P288-W324 HydrophobicContact CG-CD2 4.43Å; P288-W324 HydrophobicContact CG-CE3 4.18Å; S291-W324 VanDerWaalsContact CA-CD1 3.5Å; S291-W324 VanDerWaalsContact CB-NE1 3.34Å; Y321-W324 PolarHBondContact O-NE1 3.28Å; Y322-W324 PolarHBondContact O-N 2.72Å; Y322-W324 VanDerWaalsContact O-N 3.15Å; W324-G326 PolarHBondContact O-N 3.1Å; W324-F327 PolarHBondContact O-N 3.16Å; W324-Y328 HydrophobicContact CB-CD2 4.42Å; W324-Y328 WeakPolarHBondContact O-CD2 3.44Å; W324-Y328 PolarHBondContact O-N 2.81Å
325K96.3Very high96Very high6 Ų643.1 Ų43.13%0.02621%0.205CC..G310 helixtrans-63.9-23.6-178.7-64-179.2167-750113R166 W177 L269 D270 Y322 K323 F327R166-K325 PolarHBondContact NE-O 3.28Å; W177-K325 HydrophobicContact CH2-CB 4.5Å; W177-K325 HydrophobicContact CH2-CD 3.95Å; W177-K325 HydrophobicContact CZ3-CD 4.48Å; L269-K325 PolarHBondContact O-NZ 3.38Å; D270-K325 PolarHBondContact O-NZ 2.83Å; D270-K325 VanDerWaalsContact O-NZ 3.14Å; D270-K325 IonicContact OD1-NZ 3.87Å; Y322-K325 HydrophobicContact CD1-CD 4.32Å; Y322-K325 HydrophobicContact CG-CD 4.32Å; Y322-K325 VanDerWaalsContact O-CB 3.24Å; Y322-K325 WeakPolarHBondContact O-CB 3.23Å; Y322-K325 WeakPolarHBondContact O-CG 3.43Å; Y322-K325 PolarHBondContact O-N 3.39Å; K323-K325 PolarHBondContact O-N 3.4Å; K325-F327 PolarHBondContact O-N 3.13Å
326G96Very high96Very high13 Ų1341.2 Ų41.213%0.13420%0.198CC..G310 helixtrans-65.7-23.4172.700000113.3P169 L170 K323 W324P169-G326 CarbonylContact C-O 3.6Å; P169-G326 WeakPolarHBondContact CA-O 3.31Å; L170-G326 PolarHBondContact N-O 3.06Å; K323-G326 PolarHBondContact O-N 2.95Å; W324-G326 PolarHBondContact O-N 3.1Å
327F97.1Very high95.9Very high115 Ų11537.3 Ų37.350%0.50418%0.179SC..THydrogen-bonded Turntrans-116.2-27.4-171.1-54.8-78.7000113.5R166 K323 W324 K325R166-F327 PolarHBondContact N-O 2.8Å; K323-F327 WeakPolarHBondContact O-CD2 3.22Å; W324-F327 PolarHBondContact O-N 3.16Å; K325-F327 PolarHBondContact O-N 3.13Å
328Y97.7Very high95.8Very high82 Ų8236.6 Ų36.632%0.32217%0.173SC..EExtended strand (participates in β ladder)trans-124.3153.3-175.1-55.3-91000113.1F163 R164 L165 R166 P288 W324F163-Y328 HydrophobicContact CB-CD1 4.08Å; F163-Y328 HydrophobicContact CB-CG 4.47Å; R164-Y328 CarbonylContact O-C 3.55Å; R164-Y328 WeakPolarHBondContact O-CA 3.43Å; L165-Y328 HydrophobicContact CD2-CD1 3.82Å; L165-Y328 HydrophobicContact CD2-CE1 3.32Å; L165-Y328 HydrophobicContact CG-CD1 4.3Å; L165-Y328 HydrophobicContact CG-CE1 3.95Å; R166-Y328 PolarHBondContact NE-O 3.02Å; P288-Y328 HydrophobicContact CB-CD2 4.16Å; P288-Y328 HydrophobicContact CB-CE2 4.23Å; P288-Y328 HydrophobicContact CG-CD2 4.03Å; P288-Y328 HydrophobicContact CG-CE2 4.43Å; P288-Y328 HydrophobicContact CG-CG 4.23Å; W324-Y328 HydrophobicContact CB-CD2 4.42Å; W324-Y328 WeakPolarHBondContact O-CD2 3.44Å; W324-Y328 PolarHBondContact O-N 2.81Å
329E96.4Very high95.8Very high89 Ų8937.8 Ų37.842%0.41618%0.183SC..EExtended strand (participates in β ladder)trans-110.8144.7163.7-74.4172.4161.600109F163 R164 R166F163-E329 CarbonylContact C-O 3.44Å; F163-E329 VanDerWaalsContact CA-O 3.28Å; F163-E329 WeakPolarHBondContact CA-O 3.4Å; R164-E329 PolarHBondContact N-O 3.14Å; R164-E329 PolarHBondContact O-N 3.33Å; R166-E329 HydrophobicContact CG-CG 3.8Å; R166-E329 IonicContact CZ-OE1 2.76Å; R166-E329 IonicContact NH1-OE1 3.9Å; R166-E329 PolarHBondContact NH1-OE1 3.03Å; R166-E329 VanDerWaalsContact NH2-CG 3.34Å; R166-E329 IonicContact NH2-OE1 3.81Å
330V96Very high95.9Very high23 Ų2336.9 Ų36.914%0.13918%0.179CC..EExtended strand (participates in β ladder)trans-92.8134.3173.362.40000109.6F163 F266 L269 D270 P332F163-V330 HydrophobicContact CD1-CB 4.36Å; F163-V330 HydrophobicContact CE1-CB 4.27Å; F163-V330 HydrophobicContact CE1-CG2 4.41Å; F266-V330 HydrophobicContact CB-CG2 4.29Å; F266-V330 HydrophobicContact CD1-CG2 4.15Å; L269-V330 HydrophobicContact CB-CG1 4.42Å; L269-V330 HydrophobicContact CB-CG2 4.3Å; D270-V330 HydrophobicContact CB-CG1 3.74Å; V330-P332 WeakPolarHBondContact O-CD 3.44Å
331A95.4Very high95.9Very high9 Ų933 Ų337%0.07416%0.16CC..EExtended strand (participates in β ladder)trans-10397.116700000107.5G161 Y162 K335G161-A331 CarbonylContact C-O 3.43Å; G161-A331 WeakPolarHBondContact CA-O 3.35Å; Y162-A331 HydrophobicContact CD1-CB 4.01Å; Y162-A331 HydrophobicContact CD2-CB 4.15Å; Y162-A331 HydrophobicContact CE1-CB 3.76Å; Y162-A331 HydrophobicContact CE2-CB 3.92Å; Y162-A331 HydrophobicContact CG-CB 4.2Å; Y162-A331 PolarHBondContact N-O 3.26Å; Y162-A331 VanDerWaalsContact N-O 3.07Å; Y162-A331 PolarHBondContact O-N 3.06Å; A331-K335 HydrophobicContact CB-CB 3.83Å; A331-K335 HydrophobicContact CB-CG 4.24Å
332P93.8Very high95.9Very high44 Ų4432.3 Ų32.329%0.28616%0.16SC..  trans-74175.8-175.932.9-37.1000111.9V330 K335V330-P332 WeakPolarHBondContact O-CD 3.44Å; P332-K335 WeakPolarHBondContact O-CB 3.48Å; P332-K335 VanDerWaalsContact O-CG 3.31Å; P332-K335 WeakPolarHBondContact O-CG 3.4Å; P332-K335 PolarHBondContact O-N 3.41Å
333F91.9Very high96Very high23 Ų2336.4 Ų36.410%0.10118%0.18CC..THydrogen-bonded Turntrans-57.7140.2174.1-179-90.7000110.8Y64 D66 Y160 E263 N267 I337Y64-F333 HydrophobicContact CE1-CE2 4.23Å; Y64-F333 AromaticContact CE1-CZ 3.98Å; Y64-F333 HydrophobicContact CE1-CZ 3.98Å; D66-F333 HydrophobicContact CB-CZ 4.29Å; Y160-F333 AromaticContact CD1-CD2 3.66Å; Y160-F333 HydrophobicContact CD1-CD2 3.66Å; Y160-F333 HydrophobicContact CD1-CE2 4.03Å; Y160-F333 HydrophobicContact CE1-CD2 4.37Å; Y160-F333 HydrophobicContact CE1-CE2 4.3Å; Y160-F333 HydrophobicContact CG-CD2 4.49Å; Y160-F333 WeakPolarHBondContact O-CA 3.19Å; Y160-F333 WeakPolarHBondContact O-CB 3.4Å; Y160-F333 PolarHBondContact O-N 3.43Å; E263-F333 HydrophobicContact CB-CB 3.7Å; E263-F333 HydrophobicContact CB-CG 4.18Å; N267-F333 PolarHBondContact OD1-N 2.89Å; F333-I337 HydrophobicContact CE2-CD1 3.74Å; F333-I337 HydrophobicContact CE2-CG1 4.5Å; F333-I337 HydrophobicContact CZ-CD1 4.25Å
334P92.2Very high96.2Very high13 Ų1329.9 Ų29.98%0.08415%0.151CC..THydrogen-bonded Turncis-92.3204.336.4-35.9000114.9Y73 G336 I337 H338Y73-P334 HydrophobicContact CE1-CB 4.08Å; Y73-P334 HydrophobicContact CE1-CG 4.43Å; Y73-P334 WeakPolarHBondContact OH-CB 3.49Å; Y73-P334 WeakPolarHBondContact OH-CG 3.37Å; P334-G336 VanDerWaalsContact C-N 3.25Å; P334-G336 PolarHBondContact O-N 2.87Å; P334-I337 WeakPolarHBondContact O-CA 3.37Å; P334-I337 WeakPolarHBondContact O-CB 3.27Å; P334-I337 PolarHBondContact O-N 2.79Å; P334-H338 PolarHBondContact O-CD2 2.9Å; P334-H338 PolarHBondContact O-N 2.66Å
335K94.1Very high96.2Very high64 Ų6429.3 Ų29.328%0.27815%0.149SC..Hα-helixtrans-58.9-27.3-168.3-68.7-61.7178.4-160.10115.6Y162 A331 P332 I337 H338 A339Y162-K335 HydrophobicContact CE1-CB 4.04Å; Y162-K335 WeakPolarHBondContact CE1-O 3.48Å; A331-K335 HydrophobicContact CB-CB 3.83Å; A331-K335 HydrophobicContact CB-CG 4.24Å; P332-K335 WeakPolarHBondContact O-CB 3.48Å; P332-K335 VanDerWaalsContact O-CG 3.31Å; P332-K335 WeakPolarHBondContact O-CG 3.4Å; P332-K335 PolarHBondContact O-N 3.41Å; K335-I337 VanDerWaalsContact C-N 3.31Å; K335-H338 PolarHBondContact NZ-CE1 2.79Å; K335-H338 WeakPolarHBondContact O-CB 3.44Å; K335-H338 PolarHBondContact O-N 2.78Å; K335-A339 PolarHBondContact O-N 2.96Å
336G95.9Very high96.2Very high0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-71.9-24.6174.100000113.7S158 P159 P334 A339 G340S158-G336 PolarHBondContact OG-O 2.58Å; P159-G336 CarbonylContact O-C 3.58Å; P159-G336 VanDerWaalsContact O-C 3.28Å; P159-G336 WeakPolarHBondContact O-CA 3.46Å; P334-G336 VanDerWaalsContact C-N 3.25Å; P334-G336 PolarHBondContact O-N 2.87Å; G336-A339 WeakPolarHBondContact O-CB 3.48Å; G336-A339 PolarHBondContact O-N 3.03Å; G336-G340 PolarHBondContact O-N 2.93Å
337I95.3Very high96.2Very high1 Ų132.6 Ų32.61%0.00517%0.167CC..Hα-helixtrans-71.8-38.4168.7-51.9-179.9000110.9Y64 V69 Y73 M125 M148 S158 F333 P334 K335 A339 G340 M341Y64-I337 HydrophobicContact CD1-CD1 3.75Å; Y64-I337 HydrophobicContact CE1-CD1 3.33Å; V69-I337 HydrophobicContact CG2-CG2 4.29Å; Y73-I337 HydrophobicContact CD1-CB 3.96Å; Y73-I337 HydrophobicContact CD1-CG2 3.57Å; Y73-I337 HydrophobicContact CE1-CB 3.75Å; Y73-I337 HydrophobicContact CE1-CG2 3.6Å; M125-I337 HydrophobicContact CE-CD1 4.38Å; M125-I337 HydrophobicContact CE-CG1 4.27Å; M148-I337 HydrophobicContact CE-CG2 4.2Å; S158-I337 WeakPolarHBondContact OG-CA 3.24Å; F333-I337 HydrophobicContact CE2-CD1 3.74Å; F333-I337 HydrophobicContact CE2-CG1 4.5Å; F333-I337 HydrophobicContact CZ-CD1 4.25Å; P334-I337 WeakPolarHBondContact O-CA 3.37Å; P334-I337 WeakPolarHBondContact O-CB 3.27Å; P334-I337 PolarHBondContact O-N 2.79Å; K335-I337 VanDerWaalsContact C-N 3.31Å; I337-A339 VanDerWaalsContact C-N 3.27Å; I337-A339 PolarHBondContact O-N 3.19Å; I337-G340 PolarHBondContact O-N 2.8Å; I337-M341 HydrophobicContact CG2-CG 4.27Å; I337-M341 WeakPolarHBondContact O-CB 3.46Å; I337-M341 WeakPolarHBondContact O-CG 3.36Å; I337-M341 PolarHBondContact O-N 2.71Å
338H96.5Very high96.1Very high3 Ų327.4 Ų27.41%0.01414%0.144CC..Hα-helixtrans-55.9-46.5170.1-68.3-115.7000110.7E72 Y73 P334 K335 G340 M341 C342E72-H338 PolarHBondContact O-CE1 3.16Å; E72-H338 VanDerWaalsContact O-CE1 3.26Å; E72-H338 PolarHBondContact O-ND1 3.13Å; E72-H338 IonicContact OE1-CE1 3.22Å; E72-H338 PolarHBondContact OE1-CE1 3.22Å; E72-H338 VanDerWaalsContact OE1-CE1 3.28Å; E72-H338 IonicContact OE1-NE2 3.37Å; E72-H338 IonicContact OE2-CE1 2.89Å; E72-H338 IonicContact OE2-NE2 2.71Å; Y73-H338 WeakPolarHBondContact CA-ND1 3.4Å; Y73-H338 WeakPolarHBondContact O-CA 3.41Å; P334-H338 PolarHBondContact O-CD2 2.9Å; P334-H338 PolarHBondContact O-N 2.66Å; K335-H338 PolarHBondContact NZ-CE1 2.79Å; K335-H338 WeakPolarHBondContact O-CB 3.44Å; K335-H338 PolarHBondContact O-N 2.78Å; H338-G340 PolarHBondContact O-N 3.3Å; H338-M341 PolarHBondContact O-N 3.27Å; H338-C342 WeakPolarHBondContact O-CB 3.39Å; H338-C342 PolarHBondContact O-N 3.29Å; H338-C342 PolarHBondContact O-SG 2.94Å
339A97.3Very high95.9Very high25 Ų2523.9 Ų23.921%0.20713%0.13CC..Hα-helixtrans-61-45.6177.900000111.7Y162 K335 G336 I337 C342 M343Y162-A339 HydrophobicContact CE1-CB 4.12Å; K335-A339 PolarHBondContact O-N 2.96Å; G336-A339 WeakPolarHBondContact O-CB 3.48Å; G336-A339 PolarHBondContact O-N 3.03Å; I337-A339 VanDerWaalsContact C-N 3.27Å; I337-A339 PolarHBondContact O-N 3.19Å; A339-C342 PolarHBondContact O-N 3.06Å; A339-M343 WeakPolarHBondContact O-CG 3.5Å; A339-M343 PolarHBondContact O-N 3.02Å
340G98.1Very high95.7Very high0 Ų023.4 Ų23.40%013%0.134CC..Hα-helixtrans-63.2-41.617700000113.4I156 G336 I337 H338 C342 M343 L344I156-G340 WeakPolarHBondContact CG2-O 3.46Å; G336-G340 PolarHBondContact O-N 2.93Å; I337-G340 PolarHBondContact O-N 2.8Å; H338-G340 PolarHBondContact O-N 3.3Å; G340-C342 PolarHBondContact O-N 2.71Å; G340-M343 WeakPolarHBondContact O-CB 3.5Å; G340-M343 PolarHBondContact O-N 3.1Å; G340-L344 WeakPolarHBondContact O-CB 3.35Å; G340-L344 PolarHBondContact O-N 3.13Å
341M98.2Very high95.5Very high1 Ų124.2 Ų24.21%0.00514%0.136CC..Hα-helixtrans-64.5-39.4175-69.8-57.5-63.800112I58 I60 V69 L74 V84 M148 I337 H338 L344 C345I58-M341 HydrophobicContact CD1-CE 4.11Å; I58-M341 HydrophobicContact CG2-CE 4.03Å; I60-M341 HydrophobicContact CD1-CE 4.49Å; V69-M341 HydrophobicContact CG1-CE 3.84Å; V69-M341 HydrophobicContact CG1-CG 3.87Å; V69-M341 HydrophobicContact CG1-SD 3.85Å; L74-M341 HydrophobicContact CD2-CB 3.9Å; V84-M341 HydrophobicContact CG2-CE 4.19Å; M148-M341 HydrophobicContact CE-CG 4.16Å; M148-M341 HydrophobicContact CE-SD 3.92Å; M148-M341 HydrophobicContact SD-SD 4.23Å; I337-M341 HydrophobicContact CG2-CG 4.27Å; I337-M341 WeakPolarHBondContact O-CB 3.46Å; I337-M341 WeakPolarHBondContact O-CG 3.36Å; I337-M341 PolarHBondContact O-N 2.71Å; H338-M341 PolarHBondContact O-N 3.27Å; M341-L344 HydrophobicContact CE-CD2 4.45Å; M341-L344 PolarHBondContact O-N 2.93Å; M341-L344 HydrophobicContact SD-CD2 4.45Å; M341-C345 WeakPolarHBondContact O-CB 3.42Å; M341-C345 PolarHBondContact O-N 2.98Å
342C98.2Very high95.2Very high16 Ų1626 Ų2611%0.10815%0.148CC..Hα-helixtrans-64.6-40.4172.4-75.70000112.7S76 C77 H338 A339 G340 C345 A346S76-C342 PolarHBondContact OG-SG 3.04Å; S76-C342 VanDerWaalsContact OG-SG 3.41Å; C77-C342 HydrophobicContact CB-CB 3.7Å; C77-C342 WeakPolarHBondContact CB-SG 3.41Å; C77-C342 WeakPolarHBondContact SG-CA 3.02Å; C77-C342 WeakPolarHBondContact SG-CB 3.31Å; C77-C342 CovalentContact SG-SG 2.03Å; C77-C342 PolarHBondContact SG-SG 3.17Å; H338-C342 WeakPolarHBondContact O-CB 3.39Å; H338-C342 PolarHBondContact O-N 3.29Å; H338-C342 PolarHBondContact O-SG 2.94Å; A339-C342 PolarHBondContact O-N 3.06Å; G340-C342 PolarHBondContact O-N 2.71Å; C342-C345 PolarHBondContact O-N 3.07Å; C342-A346 WeakPolarHBondContact O-CB 3.1Å; C342-A346 PolarHBondContact O-N 3.1Å
343M98.1Very high94.9Very high87 Ų8726.2 Ų26.243%0.42915%0.15SC..Hα-helixtrans-64.1-40.6174.2-74.1176.265.100111.8I156 F157 A339 G340 A346 K347I156-M343 HydrophobicContact CD1-CB 4.36Å; I156-M343 HydrophobicContact CG2-CB 4.04Å; F157-M343 HydrophobicContact CB-CE 4.4Å; A339-M343 WeakPolarHBondContact O-CG 3.5Å; A339-M343 PolarHBondContact O-N 3.02Å; G340-M343 WeakPolarHBondContact O-CB 3.5Å; G340-M343 PolarHBondContact O-N 3.1Å; M343-A346 PolarHBondContact O-N 2.81Å; M343-K347 WeakPolarHBondContact O-CB 3.27Å; M343-K347 PolarHBondContact O-N 2.67Å
344L98.5Very high94.8Very high0 Ų028.2 Ų28.20%016%0.158CC..Hα-helixtrans-61.2-50.1173.7175.659.6000110.6I58 V98 V121 L146 I156 G340 M341 A346 K347 L348I58-L344 HydrophobicContact CD1-CD2 4.24Å; I58-L344 HydrophobicContact CD1-CG 4.35Å; I58-L344 HydrophobicContact CG2-CD2 4.23Å; V98-L344 HydrophobicContact CG2-CD2 3.98Å; V121-L344 HydrophobicContact CG2-CD1 3.99Å; V121-L344 HydrophobicContact CG2-CD2 4.33Å; L146-L344 HydrophobicContact CD1-CD1 4.14Å; I156-L344 HydrophobicContact CD1-CB 4.38Å; I156-L344 HydrophobicContact CG1-CB 4.39Å; I156-L344 HydrophobicContact CG1-CD1 4.41Å; I156-L344 HydrophobicContact CG2-CB 4.36Å; G340-L344 WeakPolarHBondContact O-CB 3.35Å; G340-L344 PolarHBondContact O-N 3.13Å; M341-L344 HydrophobicContact CE-CD2 4.45Å; M341-L344 PolarHBondContact O-N 2.93Å; M341-L344 HydrophobicContact SD-CD2 4.45Å; L344-A346 VanDerWaalsContact C-N 3.33Å; L344-A346 PolarHBondContact O-N 3.27Å; L344-K347 WeakPolarHBondContact O-CB 3.3Å; L344-K347 PolarHBondContact O-N 3.22Å; L344-K347 VanDerWaalsContact O-N 3.16Å; L344-L348 HydrophobicContact CD1-CD1 4.19Å; L344-L348 HydrophobicContact CD1-CD2 4.42Å; L344-L348 HydrophobicContact CD1-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 4.11Å; L344-L348 HydrophobicContact CG-CG 4.45Å; L344-L348 VanDerWaalsContact O-CG 3.31Å; L344-L348 WeakPolarHBondContact O-CG 3.34Å; L344-L348 PolarHBondContact O-N 3.05Å
345C97.7Very high94.6Very high1 Ų138.1 Ų38.11%0.00719%0.193CC..Hα-helixtrans-58-45.1177.6178.30000112I58 L74 L80 C82 M341 C342 K347 L348 R349I58-C345 HydrophobicContact CD1-CB 4.48Å; L74-C345 HydrophobicContact CD2-CB 4.1Å; L80-C345 WeakPolarHBondContact CB-SG 2.86Å; L80-C345 HydrophobicContact CD1-CB 4.26Å; C82-C345 HydrophobicContact CB-CB 3.81Å; C82-C345 WeakPolarHBondContact CB-SG 3.17Å; C82-C345 VanDerWaalsContact SG-CA 3.5Å; C82-C345 WeakPolarHBondContact SG-CB 3.43Å; C82-C345 CovalentContact SG-SG 2.02Å; C82-C345 PolarHBondContact SG-SG 3.08Å; M341-C345 WeakPolarHBondContact O-CB 3.42Å; M341-C345 PolarHBondContact O-N 2.98Å; C342-C345 PolarHBondContact O-N 3.07Å; C345-K347 VanDerWaalsContact C-N 3.33Å; C345-K347 PolarHBondContact O-N 2.84Å; C345-L348 PolarHBondContact O-N 2.03Å; C345-R349 WeakPolarHBondContact O-CG 3.18Å; C345-R349 PolarHBondContact O-N 2.81Å
346A96.2Very high94.5Very high36 Ų3639 Ų3930%0.29820%0.204SC..Hα-helixtrans-59.4-44.6176.200000111.5L80 C342 M343 L344 R349 T350L80-A346 HydrophobicContact CD1-CB 3.81Å; C342-A346 WeakPolarHBondContact O-CB 3.1Å; C342-A346 PolarHBondContact O-N 3.1Å; M343-A346 PolarHBondContact O-N 2.81Å; L344-A346 VanDerWaalsContact C-N 3.33Å; L344-A346 PolarHBondContact O-N 3.27Å; A346-R349 WeakPolarHBondContact O-CB 3.38Å; A346-R349 PolarHBondContact O-N 2.89Å; A346-T350 WeakPolarHBondContact O-CG2 3.31Å; A346-T350 PolarHBondContact O-N 3.48Å; A346-T350 PolarHBondContact O-OG1 2.95Å
347K96Very high94.4Very high52 Ų5239.4 Ų39.423%0.22621%0.206CC..Hα-helixtrans-59.5-50.3176.1179.9165.9176.344.90111.7L146 I156 M343 L344 C345 R349 T350 E351L146-K347 HydrophobicContact CD1-CD 3.85Å; L146-K347 HydrophobicContact CD2-CD 4.17Å; I156-K347 HydrophobicContact CD1-CB 4.26Å; I156-K347 HydrophobicContact CD1-CD 3.88Å; M343-K347 WeakPolarHBondContact O-CB 3.27Å; M343-K347 PolarHBondContact O-N 2.67Å; L344-K347 WeakPolarHBondContact O-CB 3.3Å; L344-K347 PolarHBondContact O-N 3.22Å; L344-K347 VanDerWaalsContact O-N 3.16Å; C345-K347 VanDerWaalsContact C-N 3.33Å; C345-K347 PolarHBondContact O-N 2.84Å; K347-R349 VanDerWaalsContact C-N 3.26Å; K347-R349 PolarHBondContact O-N 2.82Å; K347-T350 PolarHBondContact O-N 2.79Å; K347-T350 VanDerWaalsContact O-N 3.1Å; K347-T350 PolarHBondContact O-OG1 2.82Å; K347-E351 WeakPolarHBondContact CE-OE2 3.03Å; K347-E351 VanDerWaalsContact CG-OE2 3.31Å; K347-E351 WeakPolarHBondContact CG-OE2 3.46Å; K347-E351 IonicContact NZ-OE1 3.81Å; K347-E351 PolarHBondContact NZ-OE1 3.19Å; K347-E351 IonicContact NZ-OE2 2.71Å; K347-E351 PolarHBondContact NZ-OE2 3.48Å; K347-E351 WeakPolarHBondContact O-CG 3.02Å; K347-E351 PolarHBondContact O-N 3.31Å
348L95.6Very high94.3Very high6 Ų646.4 Ų46.43%0.03124%0.239CC..Hα-helixtrans-58.7-38.3177.6-63.4173.2000112L56 I58 A95 A96 H119 L344 C345 E351 S352L56-L348 HydrophobicContact CD1-CB 4.01Å; I58-L348 HydrophobicContact CD1-CD1 4.05Å; I58-L348 HydrophobicContact CG1-CD1 3.84Å; A95-L348 HydrophobicContact CB-CD1 4.25Å; A95-L348 HydrophobicContact CB-CD2 4.49Å; A96-L348 HydrophobicContact CB-CD1 3.65Å; A96-L348 HydrophobicContact CB-CD2 3.98Å; A96-L348 HydrophobicContact CB-CG 4.43Å; H119-L348 HydrophobicContact CB-CD2 4.31Å; L344-L348 HydrophobicContact CD1-CD1 4.19Å; L344-L348 HydrophobicContact CD1-CD2 4.42Å; L344-L348 HydrophobicContact CD1-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 4.11Å; L344-L348 HydrophobicContact CG-CG 4.45Å; L344-L348 VanDerWaalsContact O-CG 3.31Å; L344-L348 WeakPolarHBondContact O-CG 3.34Å; L344-L348 PolarHBondContact O-N 3.05Å; C345-L348 PolarHBondContact O-N 2.03Å; L348-E351 CarbonylContact O-C 3.54Å; L348-E351 PolarHBondContact O-N 3.29Å; L348-S352 WeakPolarHBondContact O-CA 3.33Å; L348-S352 PolarHBondContact O-N 2.84Å
349R92.8Very high94.2Very high8 Ų848.2 Ų48.23%0.0325%0.251CS..Hα-helixtrans-62.8-46174.6-74.4-70.4177.8-1713.9112.3E54 L56 L80 N81 C345 A346 K347 E351 S352E54-R349 PolarHBondContact O-NH1 3.27Å; E54-R349 PolarHBondContact O-NH2 3.46Å; L56-R349 HydrophobicContact CD1-CG 4.04Å; L80-R349 VanDerWaalsContact O-CZ 3.27Å; L80-R349 PolarHBondContact O-NE 3.41Å; L80-R349 PolarHBondContact O-NH2 3.2Å; N81-R349 VanDerWaalsContact C-NH2 3.32Å; N81-R349 VanDerWaalsContact CB-NH2 3.33Å; N81-R349 PolarHBondContact O-NH2 2.84Å; C345-R349 WeakPolarHBondContact O-CG 3.18Å; C345-R349 PolarHBondContact O-N 2.81Å; A346-R349 WeakPolarHBondContact O-CB 3.38Å; A346-R349 PolarHBondContact O-N 2.89Å; K347-R349 VanDerWaalsContact C-N 3.26Å; K347-R349 PolarHBondContact O-N 2.82Å; R349-E351 PolarHBondContact O-N 3.03Å; R349-S352 WeakPolarHBondContact O-CB 3.09Å; R349-S352 PolarHBondContact O-N 3.46Å; R349-S352 PolarHBondContact O-OG 2.82Å
350T91.7Very high94.2Very high79 Ų7948 Ų4849%0.48525%0.248SC..Hα-helixtrans-65.8-2217860.20000113.6C45 A346 K347C45-T350 WeakPolarHBondContact CB-O 3.43Å; C45-T350 PolarHBondContact SG-O 3.3Å; A346-T350 WeakPolarHBondContact O-CG2 3.31Å; A346-T350 PolarHBondContact O-N 3.48Å; A346-T350 PolarHBondContact O-OG1 2.95Å; K347-T350 PolarHBondContact O-N 2.79Å; K347-T350 VanDerWaalsContact O-N 3.1Å; K347-T350 PolarHBondContact O-OG1 2.82Å
351E92.4Very high94.1Very high40 Ų4055.9 Ų55.919%0.18728%0.282CS..Hα-helixtrans-105.30.6-178.2-61.9-175.6141.700112.7H119 K347 L348 R349 C353 Y354H119-E351 IonicContact CE1-OE2 3.91Å; H119-E351 IonicContact NE2-OE2 2.8Å; H119-E351 PolarHBondContact NE2-OE2 3.34Å; K347-E351 WeakPolarHBondContact CE-OE2 3.03Å; K347-E351 VanDerWaalsContact CG-OE2 3.31Å; K347-E351 WeakPolarHBondContact CG-OE2 3.46Å; K347-E351 IonicContact NZ-OE1 3.81Å; K347-E351 PolarHBondContact NZ-OE1 3.19Å; K347-E351 IonicContact NZ-OE2 2.71Å; K347-E351 PolarHBondContact NZ-OE2 3.48Å; K347-E351 WeakPolarHBondContact O-CG 3.02Å; K347-E351 PolarHBondContact O-N 3.31Å; L348-E351 CarbonylContact O-C 3.54Å; L348-E351 PolarHBondContact O-N 3.29Å; R349-E351 PolarHBondContact O-N 3.03Å; E351-C353 PolarHBondContact O-N 3.06Å; E351-Y354 HydrophobicContact CB-CD2 3.67Å; E351-Y354 HydrophobicContact CB-CE2 3.97Å; E351-Y354 HydrophobicContact CG-CD2 3.89Å; E351-Y354 HydrophobicContact CG-CE2 3.7Å; E351-Y354 WeakPolarHBondContact O-CB 3.31Å; E351-Y354 PolarHBondContact O-N 2.82Å
352S89.2Confident94Very high46 Ų4656.8 Ų56.832%0.32229%0.287SS..THydrogen-bonded Turntrans-60.5-19.6-173.260.90000115L348 R349L348-S352 WeakPolarHBondContact O-CA 3.33Å; L348-S352 PolarHBondContact O-N 2.84Å; R349-S352 WeakPolarHBondContact O-CB 3.09Å; R349-S352 PolarHBondContact O-N 3.46Å; R349-S352 PolarHBondContact O-OG 2.82Å
353C87.1Confident93.9Very high50 Ų5056 Ų5634%0.33828%0.282SS..THydrogen-bonded Turntrans-88.5-10176.584.10000113.5C45 E351C45-C353 WeakPolarHBondContact CA-SG 3.42Å; C45-C353 HydrophobicContact CB-CB 3.96Å; C45-C353 WeakPolarHBondContact CB-SG 3.48Å; C45-C353 WeakPolarHBondContact SG-CB 3.4Å; C45-C353 CovalentContact SG-SG 2.03Å; C45-C353 PolarHBondContact SG-SG 3.34Å; E351-C353 PolarHBondContact O-N 3.06Å
354Y89.7Confident93.7Very high65 Ų6555.4 Ų55.426%0.25528%0.28SS..  trans-77128.7-177.8-61.5-24.1000111.2S43 C45 E351S43-Y354 WeakPolarHBondContact O-CE1 3.38Å; S43-Y354 PolarHBondContact O-OH 3.46Å; S43-Y354 VanDerWaalsContact O-OH 3.05Å; C45-Y354 WeakPolarHBondContact SG-CE1 3.49Å; E351-Y354 HydrophobicContact CB-CD2 3.67Å; E351-Y354 HydrophobicContact CB-CE2 3.97Å; E351-Y354 HydrophobicContact CG-CD2 3.89Å; E351-Y354 HydrophobicContact CG-CE2 3.7Å; E351-Y354 WeakPolarHBondContact O-CB 3.31Å; E351-Y354 PolarHBondContact O-N 2.82Å
355R88.2Confident93.5Very high221 Ų22156.9 Ų56.983%0.83429%0.287SS*.SBendtrans-73.3-30.3174.8-64.6-175178.8-135.70.4112.7P116 H117P116-R355 CarbonylContact C-O 3.59Å; P116-R355 WeakPolarHBondContact CB-O 3.16Å; H117-R355 PolarHBondContact N-O 2.04Å
356T92.6Very high93.3Very high83 Ų8356.9 Ų56.951%0.50929%0.287SS..SBendtrans-139.5129.3-179.6-52.30000109.9P116P116-T356 HydrophobicContact CB-CG2 4.37Å; P116-T356 CarbonylContact O-C 3.59Å; P116-T356 VanDerWaalsContact O-CA 3.31Å; P116-T356 WeakPolarHBondContact O-CA 3.48Å
357I92.9Very high93.1Very high7 Ų758.6 Ų58.64%0.03629%0.288CS..  trans-98.3151.4174.466.778.8000110.8P116 Q118 T145P116-I357 PolarHBondContact O-N 3.36Å; Q118-I357 WeakPolarHBondContact O-CG1 3.24Å; T145-I357 HydrophobicContact CG2-CD1 3.33Å
358Q93.4Very high93Very high148 Ų14861.1 Ų61.169%0.69230%0.301SS*.  trans-107.7137.2175.9-62.2-60.1-30.700109.4
359P95.3Very high92.9Very high41 Ų4160.9 Ų60.927%0.26630%0.299SS..  trans-55.3140.9170.3-24.633.6000112.2T145 I364T145-P359 HydrophobicContact CG2-CB 4.22Å; T145-P359 HydrophobicContact CG2-CG 3.86Å; P359-I364 HydrophobicContact CB-CD1 4.44Å; P359-I364 HydrophobicContact CB-CG1 3.75Å
360S96.8Very high93Very high21 Ų2160.5 Ų60.515%0.14730%0.298CS..  trans-68.3160.5171.780.10000111.4T145 D155 N362 A363 I364T145-S360 PolarHBondContact O-N 3.04Å; D155-S360 VanDerWaalsContact CG-CB 3.44Å; D155-S360 WeakPolarHBondContact OD1-CB 3.37Å; D155-S360 PolarHBondContact OD1-OG 3.26Å; D155-S360 WeakPolarHBondContact OD2-CB 3.25Å; D155-S360 PolarHBondContact OD2-OG 2.93Å; S360-N362 PolarHBondContact O-N 3.21Å; S360-N362 PolarHBondContact OG-N 2.86Å; S360-A363 PolarHBondContact O-N 3.45Å; S360-A363 VanDerWaalsContact O-N 3.14Å; S360-A363 VanDerWaalsContact OG-CB 3.27Å; S360-A363 WeakPolarHBondContact OG-CB 3.46Å; S360-A363 PolarHBondContact OG-N 2.88Å; S360-I364 VanDerWaalsContact O-CG1 3.31Å; S360-I364 WeakPolarHBondContact O-CG1 3.16Å; S360-I364 PolarHBondContact O-N 3.32Å; S360-I364 VanDerWaalsContact O-N 3.08Å
361K95.8Very high93.1Very high166 Ų16659 Ų5972%0.72229%0.289SS*.Hα-helixtrans-57.1-37.8175.1-176.6179.1177.1-178.90112.4
362N95.8Very high93.1Very high20 Ų2061.6 Ų61.611%0.10730%0.303CS..Hα-helixtrans-74-31.3-179.9-68.6-25.2000112.3T147 D153 S360 W369 R373T147-N362 HydrophobicContact CG2-CB 4.04Å; D153-N362 PolarHBondContact O-ND2 2.79Å; S360-N362 PolarHBondContact O-N 3.21Å; S360-N362 PolarHBondContact OG-N 2.86Å; N362-W369 HydrophobicContact CB-CB 4.3Å; N362-W369 HydrophobicContact CB-CD2 3.78Å; N362-W369 HydrophobicContact CB-CE3 4.11Å; N362-W369 HydrophobicContact CB-CG 3.86Å; N362-R373 PolarHBondContact OD1-NH2 3.48Å
363A95.5Very high93.4Very high0 Ų064 Ų640%031%0.306CS..Hα-helixtrans-81.8-23.9-178.900000113.8F144 T145 T147 S360F144-A363 HydrophobicContact CB-CB 4.31Å; T145-A363 WeakPolarHBondContact O-CB 3.42Å; T147-A363 HydrophobicContact CG2-CB 4.12Å; S360-A363 PolarHBondContact O-N 3.45Å; S360-A363 VanDerWaalsContact O-N 3.14Å; S360-A363 VanDerWaalsContact OG-CB 3.27Å; S360-A363 WeakPolarHBondContact OG-CB 3.46Å; S360-A363 PolarHBondContact OG-N 2.88Å
364I94.8Very high93.7Very high74 Ų7462.4 Ų62.438%0.37930%0.295SS..Hα-helixtrans-62.1-44.8177.3-72.5165.8000111.5K141 N142 P359 S360K141-I364 WeakPolarHBondContact CA-O 3.37Å; N142-I364 PolarHBondContact N-O 2.93Å; N142-I364 VanDerWaalsContact N-O 3.07Å; P359-I364 HydrophobicContact CB-CD1 4.44Å; P359-I364 HydrophobicContact CB-CG1 3.75Å; S360-I364 VanDerWaalsContact O-CG1 3.31Å; S360-I364 WeakPolarHBondContact O-CG1 3.16Å; S360-I364 PolarHBondContact O-N 3.32Å; S360-I364 VanDerWaalsContact O-N 3.08Å
365D94.5Very high94Very high30 Ų3066.2 Ų66.216%0.1631%0.313CS..BIsolated β-bridgetrans-136.990.9177.5-167.5-32.5000109.5K141 K367 Q368 W369K141-D365 VanDerWaalsContact CE-OD2 3.3Å; K141-D365 WeakPolarHBondContact CE-OD2 3.24Å; K141-D365 IonicContact NZ-OD2 3.62Å; D365-K367 VanDerWaalsContact C-N 3.3Å; D365-K367 PolarHBondContact O-N 2.98Å; D365-K367 PolarHBondContact OD1-N 3.34Å; D365-Q368 HydrophobicContact CB-CB 3.94Å; D365-Q368 VanDerWaalsContact CG-CB 3.47Å; D365-Q368 PolarHBondContact O-N 2.93Å; D365-Q368 WeakPolarHBondContact OD1-CB 3.31Å; D365-Q368 PolarHBondContact OD1-N 2.74Å; D365-W369 PolarHBondContact O-N 3.5Å; D365-W369 VanDerWaalsContact O-N 3.13Å
366I93.1Very high94.4Very high1 Ų157.6 Ų57.61%0.00529%0.286CS..Hα-helixtrans-71.1-31.6-175.8-56.9-173.8000110L122 L124 F136 E140 F144 T147 W369 F370L122-I366 HydrophobicContact CB-CD1 4.09Å; L122-I366 HydrophobicContact CD2-CD1 3.41Å; L122-I366 VanDerWaalsContact CD2-CD1 3.41Å; L122-I366 HydrophobicContact CD2-CG2 3.74Å; L122-I366 HydrophobicContact CG-CD1 4.36Å; L124-I366 HydrophobicContact CD1-CG2 4.11Å; F136-I366 HydrophobicContact CE2-CB 4.35Å; F136-I366 HydrophobicContact CE2-CG2 3.52Å; F136-I366 HydrophobicContact CZ-CB 4.18Å; F136-I366 HydrophobicContact CZ-CG2 3.68Å; E140-I366 PolarHBondContact O-N 2.87Å; F144-I366 HydrophobicContact CB-CD1 4.08Å; F144-I366 HydrophobicContact CD2-CD1 3.32Å; F144-I366 HydrophobicContact CE2-CD1 4.05Å; F144-I366 HydrophobicContact CG-CD1 4.01Å; T147-I366 HydrophobicContact CG2-CD1 4.42Å; T147-I366 HydrophobicContact CG2-CG1 4.44Å; I366-W369 HydrophobicContact CG2-CE3 4.22Å; I366-W369 HydrophobicContact CG2-CZ3 4.44Å; I366-W369 PolarHBondContact O-N 3.43Å; I366-F370 HydrophobicContact CG2-CB 4.08Å; I366-F370 WeakPolarHBondContact O-CA 3.49Å; I366-F370 WeakPolarHBondContact O-CB 3.42Å; I366-F370 PolarHBondContact O-N 3.47Å
367K92.5Very high94.6Very high72 Ų7255.9 Ų55.931%0.31328%0.275SS..Iπ-helixtrans-61.6-50174.3-175-169.9165.9-62.20110.7F136 E140 D365 W369 V371 D372F136-K367 HydrophobicContact CE1-CB 3.74Å; F136-K367 HydrophobicContact CE1-CG 4.16Å; F136-K367 HydrophobicContact CZ-CB 4.32Å; E140-K367 HydrophobicContact CB-CB 4.28Å; D365-K367 VanDerWaalsContact C-N 3.3Å; D365-K367 PolarHBondContact O-N 2.98Å; D365-K367 PolarHBondContact OD1-N 3.34Å; K367-W369 VanDerWaalsContact C-N 3.28Å; K367-W369 PolarHBondContact O-N 2.94Å; K367-V371 HydrophobicContact CG-CB 4.26Å; K367-V371 HydrophobicContact CG-CG2 4.41Å; K367-V371 WeakPolarHBondContact O-CA 3.47Å; K367-V371 WeakPolarHBondContact O-CB 3.2Å; K367-V371 PolarHBondContact O-N 2.62Å; K367-D372 VanDerWaalsContact NZ-CG 3.26Å; K367-D372 IonicContact NZ-OD1 3.19Å; K367-D372 PolarHBondContact NZ-OD1 3.44Å; K367-D372 IonicContact NZ-OD2 3.84Å; K367-D372 PolarHBondContact NZ-OD2 3.49Å; K367-D372 PolarHBondContact O-N 3.04Å
368Q93.6Very high94.8Very high106 Ų10662.2 Ų62.250%0.49530%0.302SS..Iπ-helixtrans-60.2-39.1179.3-174.1-17651.300111.9D365D365-Q368 HydrophobicContact CB-CB 3.94Å; D365-Q368 VanDerWaalsContact CG-CB 3.47Å; D365-Q368 PolarHBondContact O-N 2.93Å; D365-Q368 WeakPolarHBondContact OD1-CB 3.31Å; D365-Q368 PolarHBondContact OD1-N 2.74Å
369W94.4Very high95Very high1 Ų157.4 Ų57.40%0.00428%0.281CS..Iπ-helixtrans-76.3-59.7176.5167.753000113.2L124 T147 S149 R151 D153 S154 N362 D365 I366 K367 R373L124-W369 HydrophobicContact CD1-CZ3 4.21Å; T147-W369 HydrophobicContact CG2-CE3 3.71Å; T147-W369 HydrophobicContact CG2-CH2 4.08Å; T147-W369 HydrophobicContact CG2-CZ3 3.37Å; S149-W369 WeakPolarHBondContact OG-CH2 3.33Å; R151-W369 HydrophobicContact CB-CZ2 4.1Å; R151-W369 PolarHBondContact NH1-O 3.49Å; D153-W369 VanDerWaalsContact CG-NE1 3.26Å; D153-W369 PolarHBondContact OD1-NE1 3.45Å; D153-W369 PolarHBondContact OD2-NE1 2.99Å; S154-W369 VanDerWaalsContact CA-CZ2 3.48Å; N362-W369 HydrophobicContact CB-CB 4.3Å; N362-W369 HydrophobicContact CB-CD2 3.78Å; N362-W369 HydrophobicContact CB-CE3 4.11Å; N362-W369 HydrophobicContact CB-CG 3.86Å; D365-W369 PolarHBondContact O-N 3.5Å; D365-W369 VanDerWaalsContact O-N 3.13Å; I366-W369 HydrophobicContact CG2-CE3 4.22Å; I366-W369 HydrophobicContact CG2-CZ3 4.44Å; I366-W369 PolarHBondContact O-N 3.43Å; K367-W369 VanDerWaalsContact C-N 3.28Å; K367-W369 PolarHBondContact O-N 2.94Å; W369-R373 VanDerWaalsContact CB-NH2 3.26Å; W369-R373 WeakPolarHBondContact O-CB 3.35Å
370F94Very high95.1Very high0 Ų055.9 Ų55.90%027%0.271CS..Iπ-helixtrans-79-42.3-165.3-168.9-112.8000112.6L124 E126 P128 F136 Y150 R151 I366 S374L124-F370 HydrophobicContact CB-CE2 4.32Å; L124-F370 HydrophobicContact CB-CZ 4.19Å; L124-F370 HydrophobicContact CD1-CB 4.4Å; L124-F370 HydrophobicContact CD1-CD1 3.88Å; L124-F370 HydrophobicContact CD1-CD2 3.89Å; L124-F370 HydrophobicContact CD1-CE1 4.08Å; L124-F370 HydrophobicContact CD1-CE2 4.12Å; L124-F370 HydrophobicContact CD1-CG 3.79Å; L124-F370 HydrophobicContact CD1-CZ 4.21Å; L124-F370 HydrophobicContact CD2-CD1 4.4Å; L124-F370 HydrophobicContact CD2-CE1 4.04Å; L124-F370 HydrophobicContact CD2-CZ 4.42Å; L124-F370 HydrophobicContact CG-CE1 4.49Å; E126-F370 VanDerWaalsContact O-CZ 3.26Å; E126-F370 WeakPolarHBondContact O-CZ 3.49Å; P128-F370 HydrophobicContact CB-CE1 4.44Å; P128-F370 HydrophobicContact CG-CD1 3.89Å; P128-F370 HydrophobicContact CG-CE1 3.71Å; P128-F370 HydrophobicContact CG-CZ 4.19Å; P128-F370 WeakPolarHBondContact CG-O 3.04Å; F136-F370 HydrophobicContact CE2-CD1 4.27Å; F136-F370 HydrophobicContact CZ-CB 4.46Å; Y150-F370 HydrophobicContact CE1-CE2 4.03Å; Y150-F370 AromaticContact CE1-CZ 3.83Å; Y150-F370 HydrophobicContact CE1-CZ 3.83Å; R151-F370 HydrophobicContact CG-CD2 4.4Å; R151-F370 HydrophobicContact CG-CE2 4.1Å; R151-F370 PolarHBondContact NH1-O 2.98Å; I366-F370 HydrophobicContact CG2-CB 4.08Å; I366-F370 WeakPolarHBondContact O-CA 3.49Å; I366-F370 WeakPolarHBondContact O-CB 3.42Å; I366-F370 PolarHBondContact O-N 3.47Å; F370-S374 VanDerWaalsContact O-CB 3.3Å; F370-S374 WeakPolarHBondContact O-CB 3.38Å
371V92.6Very high95.1Very high48 Ų4854.9 Ų54.929%0.29126%0.264SS..Iπ-helixtrans-89.1-55.6-175.8-177.10000110.7P128 F136 K367 R373 S374P128-V371 HydrophobicContact CB-CG1 4.49Å; P128-V371 HydrophobicContact CB-CG2 4.32Å; F136-V371 HydrophobicContact CE1-CG2 3.66Å; F136-V371 HydrophobicContact CZ-CG2 3.66Å; K367-V371 HydrophobicContact CG-CB 4.26Å; K367-V371 HydrophobicContact CG-CG2 4.41Å; K367-V371 WeakPolarHBondContact O-CA 3.47Å; K367-V371 WeakPolarHBondContact O-CB 3.2Å; K367-V371 PolarHBondContact O-N 2.62Å; V371-R373 PolarHBondContact O-N 3.47Å; V371-S374 WeakPolarHBondContact O-CB 3.41Å; V371-S374 PolarHBondContact O-N 3.02Å; V371-S374 VanDerWaalsContact O-N 3.17Å; V371-S374 PolarHBondContact O-OG 3.25Å
372D93.5Very high95.2Very high93 Ų9349.3 Ų49.350%0.49724%0.242SC..THydrogen-bonded Turntrans-71.6-31.3-170.2-59.5-16.4000111.8K367K367-D372 VanDerWaalsContact NZ-CG 3.26Å; K367-D372 IonicContact NZ-OD1 3.19Å; K367-D372 PolarHBondContact NZ-OD1 3.44Å; K367-D372 IonicContact NZ-OD2 3.84Å; K367-D372 PolarHBondContact NZ-OD2 3.49Å; K367-D372 PolarHBondContact O-N 3.04Å
373R94.8Very high95.2Very high98 Ų9850.3 Ų50.337%0.3725%0.247SC..THydrogen-bonded Turntrans-98.223.4173.4-58.2-176.5-78.7152.8-8.5113.2R151 D153 N362 W369 V371R151-R373 VanDerWaalsContact NH1-C 3.33Å; R151-R373 PolarHBondContact NH1-O 3.16Å; R151-R373 PolarHBondContact NH2-O 2.99Å; D153-R373 IonicContact OD2-NH1 2.78Å; N362-R373 PolarHBondContact OD1-NH2 3.48Å; W369-R373 VanDerWaalsContact CB-NH2 3.26Å; W369-R373 WeakPolarHBondContact O-CB 3.35Å; V371-R373 PolarHBondContact O-N 3.47Å
374S93.8Very high95.2Very high16 Ų1650.6 Ų50.611%0.11225%0.248CC..  trans-74-22.6-176.262.40000115.3E258 F370 V371 C376E258-S374 VanDerWaalsContact CB-O 3.3Å; E258-S374 WeakPolarHBondContact CB-O 3.28Å; E258-S374 PolarHBondContact N-O 3.08Å; F370-S374 VanDerWaalsContact O-CB 3.3Å; F370-S374 WeakPolarHBondContact O-CB 3.38Å; V371-S374 WeakPolarHBondContact O-CB 3.41Å; V371-S374 PolarHBondContact O-N 3.02Å; V371-S374 VanDerWaalsContact O-N 3.17Å; V371-S374 PolarHBondContact O-OG 3.25Å; S374-C376 WeakPolarHBondContact CB-SG 3.12Å; S374-C376 PolarHBondContact O-N 3.36Å; S374-C376 VanDerWaalsContact O-N 3.08Å; S374-C376 PolarHBondContact OG-N 3.33Å; S374-C376 PolarHBondContact OG-SG 2.75Å; S374-C376 VanDerWaalsContact OG-SG 3.35Å
375K95.9Very high95.2Very high144 Ų14448.8 Ų48.863%0.62624%0.241SC*.  trans48.533.8-172.7-52.6177.3-170.7159.10112.7E258E258-K375 HydrophobicContact CB-CB 4.3Å; E258-K375 IonicContact OE1-NZ 2.78Å; E258-K375 PolarHBondContact OE1-NZ 3.25Å; E258-K375 WeakPolarHBondContact OE2-CD 3.34Å; E258-K375 VanDerWaalsContact OE2-CE 3.31Å; E258-K375 WeakPolarHBondContact OE2-CE 3.42Å; E258-K375 IonicContact OE2-NZ 2.93Å; E258-K375 PolarHBondContact OE2-NZ 3.48Å
376C97.3Very high94.8Very high41 Ų4154.8 Ų54.828%0.27726%0.261SS..  trans-67.4134178.2-64.80000111.2V256 C257 S374V256-C376 CarbonylContact O-C 3.57Å; V256-C376 WeakPolarHBondContact O-CA 3.38Å; C257-C376 HydrophobicContact CB-CB 4.14Å; C257-C376 WeakPolarHBondContact CB-SG 3.36Å; C257-C376 WeakPolarHBondContact SG-CB 3.32Å; C257-C376 CovalentContact SG-SG 2.04Å; C257-C376 PolarHBondContact SG-SG 3.15Å; S374-C376 WeakPolarHBondContact CB-SG 3.12Å; S374-C376 PolarHBondContact O-N 3.36Å; S374-C376 VanDerWaalsContact O-N 3.08Å; S374-C376 PolarHBondContact OG-N 3.33Å; S374-C376 PolarHBondContact OG-SG 2.75Å; S374-C376 VanDerWaalsContact OG-SG 3.35Å
377V97.2Very high93.3Very high46 Ų4663.4 Ų63.428%0.27930%0.301SS..  trans-104.6109173.5-172.20000109V256 F380 I383V256-V377 HydrophobicContact CB-CB 4.46Å; V256-V377 HydrophobicContact CG1-CB 4.32Å; V256-V377 PolarHBondContact O-N 2.99Å; V377-F380 HydrophobicContact CB-CD2 4.24Å; V377-F380 HydrophobicContact CG1-CB 4.23Å; V377-F380 HydrophobicContact CG1-CD2 3.66Å; V377-F380 HydrophobicContact CG1-CE2 4.5Å; V377-F380 HydrophobicContact CG1-CG 4.34Å; V377-I383 HydrophobicContact CG1-CD1 4.05Å
378K96.2Very high91.6Very high140 Ų14067.1 Ų67.161%0.60933%0.325SS*.THydrogen-bonded Turntrans-75.2150.3176.1-163.5-172.1171.1-1750110.6F380K378-F380 PolarHBondContact O-N 3.38Å; K378-F380 VanDerWaalsContact O-N 3.09Å
379D96.8Very high89.8Confident47 Ų4765.7 Ų65.725%0.25132%0.317SS..THydrogen-bonded Turntrans57.926.8173-56.4-53.3000113.2S198 K200 G381 N382 I383S198-D379 PolarHBondContact O-N 3.07Å; K200-D379 WeakPolarHBondContact CE-OD1 3.29Å; K200-D379 HydrophobicContact CG-CB 4.14Å; K200-D379 WeakPolarHBondContact CG-OD1 3.38Å; D379-G381 VanDerWaalsContact C-N 3.26Å; D379-G381 PolarHBondContact O-N 3.06Å; D379-N382 HydrophobicContact CB-CB 4.38Å; D379-N382 WeakPolarHBondContact O-CA 3.35Å; D379-N382 VanDerWaalsContact O-CB 3.32Å; D379-N382 WeakPolarHBondContact O-CB 3.43Å; D379-N382 PolarHBondContact O-N 3.41Å; D379-I383 PolarHBondContact O-N 3.02Å; D379-I383 VanDerWaalsContact O-N 3.07Å
380F97.5Very high87.7Confident9 Ų967.9 Ų67.94%0.03934%0.34CS..Hα-helixtrans-57.7-37.1-173.9-168.8-117.3000113.1S199 V256 F278 K279 D296 V377 K378 N382 I383 L384S199-F380 PolarHBondContact O-N 3.32Å; V256-F380 HydrophobicContact CB-CB 4.33Å; V256-F380 HydrophobicContact CG1-CD1 4.15Å; V256-F380 HydrophobicContact CG1-CG 4.25Å; V256-F380 HydrophobicContact CG2-CB 3.81Å; V256-F380 HydrophobicContact CG2-CD1 3.88Å; V256-F380 HydrophobicContact CG2-CG 4.09Å; F278-F380 AromaticContact CD1-CD1 3.93Å; F278-F380 HydrophobicContact CD1-CD1 3.93Å; F278-F380 AromaticContact CD2-CD1 3.87Å; F278-F380 HydrophobicContact CD2-CD1 3.87Å; F278-F380 HydrophobicContact CD2-CE1 4.03Å; F278-F380 HydrophobicContact CE1-CD1 4.15Å; F278-F380 HydrophobicContact CE2-CD1 4.15Å; F278-F380 AromaticContact CG-CD1 3.82Å; F278-F380 HydrophobicContact CG-CD1 3.82Å; F278-F380 HydrophobicContact CG-CE1 4.15Å; F278-F380 HydrophobicContact CZ-CD1 4.3Å; F278-F380 WeakPolarHBondContact O-CE1 3.36Å; K279-F380 HydrophobicContact CB-CE1 3.83Å; K279-F380 HydrophobicContact CB-CZ 4.05Å; K279-F380 HydrophobicContact CD-CE1 4.46Å; K279-F380 HydrophobicContact CD-CE2 4.33Å; K279-F380 HydrophobicContact CD-CZ 4.01Å; K279-F380 HydrophobicContact CG-CE1 4.2Å; K279-F380 HydrophobicContact CG-CZ 3.89Å; D296-F380 HydrophobicContact CB-CE1 4.27Å; D296-F380 HydrophobicContact CB-CZ 3.82Å; V377-F380 HydrophobicContact CB-CD2 4.24Å; V377-F380 HydrophobicContact CG1-CB 4.23Å; V377-F380 HydrophobicContact CG1-CD2 3.66Å; V377-F380 HydrophobicContact CG1-CE2 4.5Å; V377-F380 HydrophobicContact CG1-CG 4.34Å; K378-F380 PolarHBondContact O-N 3.38Å; K378-F380 VanDerWaalsContact O-N 3.09Å; F380-N382 VanDerWaalsContact C-N 3.33Å; F380-N382 PolarHBondContact O-N 3.48Å; F380-I383 WeakPolarHBondContact O-CB 3.28Å; F380-I383 PolarHBondContact O-N 3.45Å; F380-I383 VanDerWaalsContact O-N 3.16Å; F380-L384 HydrophobicContact CD1-CD1 3.95Å; F380-L384 HydrophobicContact CD1-CG 4.31Å; F380-L384 HydrophobicContact CE1-CD1 3.48Å; F380-L384 VanDerWaalsContact CE1-CD1 3.48Å; F380-L384 HydrophobicContact CE1-CD2 4.46Å; F380-L384 HydrophobicContact CE1-CG 4Å; F380-L384 HydrophobicContact CE2-CD2 4.38Å; F380-L384 HydrophobicContact CE2-CG 4.39Å; F380-L384 HydrophobicContact CZ-CD1 3.92Å; F380-L384 HydrophobicContact CZ-CD2 4.06Å; F380-L384 HydrophobicContact CZ-CG 4.05Å; F380-L384 WeakPolarHBondContact O-CG 3.4Å; F380-L384 PolarHBondContact O-N 3.18Å
381G97.7Very high85.4Confident0 Ų076.7 Ų76.70%039%0.386CS..Hα-helixtrans-62.4-37.1173.500000113.6S199 D379 L384 T385S199-G381 PolarHBondContact O-N 2.96Å; D379-G381 VanDerWaalsContact C-N 3.26Å; D379-G381 PolarHBondContact O-N 3.06Å; G381-L384 PolarHBondContact O-N 2.66Å; G381-T385 VanDerWaalsContact O-CG2 3.23Å; G381-T385 WeakPolarHBondContact O-CG2 3.33Å; G381-T385 PolarHBondContact O-N 2.69Å; G381-T385 PolarHBondContact O-OG1 3.45Å
382N97Very high83.2Confident49 Ų4985.4 Ų85.426%0.26242%0.42SS..Hα-helixtrans-65.2-45.1172.1-69.6-32.1000110.5V203 D379 F380 L384 T385 R386V203-N382 VanDerWaalsContact CG1-OD1 3.32Å; V203-N382 WeakPolarHBondContact CG1-OD1 3.34Å; D379-N382 HydrophobicContact CB-CB 4.38Å; D379-N382 WeakPolarHBondContact O-CA 3.35Å; D379-N382 VanDerWaalsContact O-CB 3.32Å; D379-N382 WeakPolarHBondContact O-CB 3.43Å; D379-N382 PolarHBondContact O-N 3.41Å; F380-N382 VanDerWaalsContact C-N 3.33Å; F380-N382 PolarHBondContact O-N 3.48Å; N382-L384 VanDerWaalsContact C-N 3.29Å; N382-L384 PolarHBondContact O-N 3.49Å; N382-T385 WeakPolarHBondContact CA-OG1 3.21Å; N382-T385 PolarHBondContact O-N 3.44Å; N382-T385 PolarHBondContact O-OG1 3.01Å; N382-R386 PolarHBondContact O-N 2.92Å
383I96.2Very high82.7Confident41 Ų4185.1 Ų85.121%0.2142%0.416CS..Hα-helixtrans-54.8-47.2178.1-64.4171.7000110.5V377 D379 F380 T385 R386 F392V377-I383 HydrophobicContact CG1-CD1 4.05Å; D379-I383 PolarHBondContact O-N 3.02Å; D379-I383 VanDerWaalsContact O-N 3.07Å; F380-I383 WeakPolarHBondContact O-CB 3.28Å; F380-I383 PolarHBondContact O-N 3.45Å; F380-I383 VanDerWaalsContact O-N 3.16Å; I383-T385 PolarHBondContact O-N 3.44Å; I383-R386 PolarHBondContact O-N 2.7Å; I383-F392 HydrophobicContact CG2-CD2 4.37Å; I383-F392 HydrophobicContact CG2-CE2 4.43Å
384L95.9Very high82Confident7 Ų784.4 Ų84.44%0.03742%0.419CS..THydrogen-bonded Turntrans-73.2-5.6-179.9-65.1-173.2000114.8Y204 F278 A295 D296 F380 G381 N382Y204-L384 HydrophobicContact CD2-CB 3.63Å; Y204-L384 HydrophobicContact CD2-CD1 4.34Å; Y204-L384 HydrophobicContact CE2-CB 3.6Å; Y204-L384 HydrophobicContact CE2-CD1 4.1Å; F278-L384 HydrophobicContact CD2-CD1 3.76Å; F278-L384 HydrophobicContact CE2-CD1 3.63Å; A295-L384 HydrophobicContact CB-CD1 4.4Å; D296-L384 HydrophobicContact CB-CD1 4.08Å; D296-L384 HydrophobicContact CB-CD2 3.91Å; F380-L384 HydrophobicContact CD1-CD1 3.95Å; F380-L384 HydrophobicContact CD1-CG 4.31Å; F380-L384 HydrophobicContact CE1-CD1 3.48Å; F380-L384 VanDerWaalsContact CE1-CD1 3.48Å; F380-L384 HydrophobicContact CE1-CD2 4.46Å; F380-L384 HydrophobicContact CE1-CG 4Å; F380-L384 HydrophobicContact CE2-CD2 4.38Å; F380-L384 HydrophobicContact CE2-CG 4.39Å; F380-L384 HydrophobicContact CZ-CD1 3.92Å; F380-L384 HydrophobicContact CZ-CD2 4.06Å; F380-L384 HydrophobicContact CZ-CG 4.05Å; F380-L384 WeakPolarHBondContact O-CG 3.4Å; F380-L384 PolarHBondContact O-N 3.18Å; G381-L384 PolarHBondContact O-N 2.66Å; N382-L384 VanDerWaalsContact C-N 3.29Å; N382-L384 PolarHBondContact O-N 3.49Å
385T94Very high81.4Confident35 Ų3588.2 Ų88.222%0.21544%0.436CS..THydrogen-bonded Turntrans-103-6.3175.159.70000113.7Y204 K207 P301 G381 N382 I383Y204-T385 HydrophobicContact CD2-CG2 4.02Å; K207-T385 HydrophobicContact CB-CG2 3.91Å; K207-T385 HydrophobicContact CG-CG2 4.13Å; P301-T385 HydrophobicContact CG-CG2 4.03Å; G381-T385 VanDerWaalsContact O-CG2 3.23Å; G381-T385 WeakPolarHBondContact O-CG2 3.33Å; G381-T385 PolarHBondContact O-N 2.69Å; G381-T385 PolarHBondContact O-OG1 3.45Å; N382-T385 WeakPolarHBondContact CA-OG1 3.21Å; N382-T385 PolarHBondContact O-N 3.44Å; N382-T385 PolarHBondContact O-OG1 3.01Å; I383-T385 PolarHBondContact O-N 3.44Å
386R86.1Confident80.5Confident157 Ų15784.9 Ų84.959%0.59243%0.425SS*.SBendtrans-76132.5176.9-69.9175.7-178.1-179.50.4109.7N382 I383 N388N382-R386 PolarHBondContact O-N 2.92Å; I383-R386 PolarHBondContact O-N 2.7Å; R386-N388 PolarHBondContact O-N 2.91Å; R386-N388 VanDerWaalsContact O-N 3.16Å
387Q63.3Low79.5Confident181 Ų18187.6 Ų87.685%0.84643%0.434SS*.SBendtrans-66.1-14.3-179-74.4-178.5-35.600114.3
388N56.1Low78.3Confident150 Ų15090.4 Ų90.480%0.80244%0.444SS*.  trans-120.693.2177.9-72.7-19.6000110.5R386 G390R386-N388 PolarHBondContact O-N 2.91Å; R386-N388 VanDerWaalsContact O-N 3.16Å; N388-G390 PolarHBondContact O-N 2.85Å
389K56Low77Confident77 Ų7786.9 Ų86.934%0.33543%0.433SS..  trans-72.8100.1165-72-173.8177.2-177.70108.6D296 F298 N299 L391D296-K389 PolarHBondContact O-NZ 2.92Å; F298-K389 PolarHBondContact O-NZ 2.68Å; N299-K389 VanDerWaalsContact O-CE 3.24Å; N299-K389 WeakPolarHBondContact O-CE 3.47Å; K389-L391 PolarHBondContact O-N 2.8Å
390G49.3Very low75.5Confident47 Ų4789.9 Ų89.949%0.48545%0.447SS..  trans-61.1128.3147.400000106.8N388 F392N388-G390 PolarHBondContact O-N 2.85Å; G390-F392 WeakPolarHBondContact O-CD2 3.4Å; G390-F392 PolarHBondContact O-N 3.36Å; G390-F392 VanDerWaalsContact O-N 3.09Å
391L45.4Very low73.7Confident185 Ų18596.7 Ų96.797%0.96948%0.48SS*.  trans-51.3116.1175.9-79.2147.7000109.1K389K389-L391 PolarHBondContact O-N 2.8Å
392F47.3Very low71.5Confident231 Ų231105.5 Ų105.5100%1.01352%0.524SS*.  trans-106.20174.8-74.9-75.6000110.9I383 G390I383-F392 HydrophobicContact CG2-CD2 4.37Å; I383-F392 HydrophobicContact CG2-CE2 4.43Å; G390-F392 WeakPolarHBondContact O-CD2 3.4Å; G390-F392 PolarHBondContact O-N 3.36Å; G390-F392 VanDerWaalsContact O-N 3.09Å

Retrieved 392 of 392 residues in 211.8 ms (Link to these results)

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