A0A077ZFC8_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZFC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 326 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
1M40.2Very low43.9Very low244 Ų244140.4 Ų140.4100%1.20271%0.712SS**  067.70-81.5174.4155.500108.7
2E41.4Very low43.9Very low192 Ų192138.8 Ų138.890%0.89770%0.7SS**  trans-13661.3-175.4-80.6-174156.800111.6
3T43.2Very low44.7Very low132 Ų132132.4 Ų132.481%0.8168%0.676SS**  trans-136.610.8173.855.20000115.3
4N46.7Very low45.8Very low140 Ų140128 Ų12875%0.74966%0.663SS**SBendtrans-106.7-9.2-177.1-96.91000116.9
5E48.1Very low47.2Very low159 Ų159123.7 Ų123.774%0.74364%0.641SS**Hα-helixtrans-82.8-26.3-179.1-77.4-176.2159.400114.2S7 S8 H9E5-S7 PolarHBondContact O-N 2.69Å; E5-S8 PolarHBondContact O-OG 3.04Å; E5-S8 VanDerWaalsContact O-OG 3.07Å; E5-H9 PolarHBondContact O-CD2 3.18Å; E5-H9 VanDerWaalsContact O-CD2 3.3Å
6K46.8Very low48.8Very low178 Ų178122.4 Ų122.477%0.77464%0.636SS**Hα-helixtrans-72.3-29.3-179.1-73.8-173.9178.6178.60113.3I10K6-I10 WeakPolarHBondContact O-CG1 3.47Å; K6-I10 PolarHBondContact O-N 2.76Å
7S45.5Very low50.1Low68 Ų68120.6 Ų120.648%0.47662%0.622SS.*Hα-helixtrans-74.2-39.3-178.4-160.30000112.3E5 I10 E11E5-S7 PolarHBondContact O-N 2.69Å; S7-I10 PolarHBondContact O-N 2.85Å; S7-E11 PolarHBondContact O-N 2.89Å; S7-E11 VanDerWaalsContact O-N 3.13Å
8S42.1Very low51.5Low50 Ų50118.9 Ų118.935%0.3561%0.606SS.*Hα-helixtrans-66.5-39.4-179.558.80000112.1E5 Q12E5-S8 PolarHBondContact O-OG 3.04Å; E5-S8 VanDerWaalsContact O-OG 3.07Å; S8-Q12 WeakPolarHBondContact O-CB 3.31Å; S8-Q12 WeakPolarHBondContact O-CG 3.4Å; S8-Q12 PolarHBondContact O-N 3.21Å
9H43.4Very low52.9Low125 Ų125120.1 Ų120.158%0.57960%0.602SS**Hα-helixtrans-67.7-35.3177.6-79.4-61.6000113.3E5 S13E5-H9 PolarHBondContact O-CD2 3.18Å; E5-H9 VanDerWaalsContact O-CD2 3.3Å; H9-S13 WeakPolarHBondContact O-CB 3.47Å; H9-S13 PolarHBondContact O-N 2.76Å
10I44.6Very low54.1Low123 Ų123116.3 Ų116.363%0.63158%0.584SS**Hα-helixtrans-70.5-43.9177.3-66.2169.8000110.5K6 S7 S13 S14K6-I10 WeakPolarHBondContact O-CG1 3.47Å; K6-I10 PolarHBondContact O-N 2.76Å; S7-I10 PolarHBondContact O-N 2.85Å; I10-S13 PolarHBondContact O-N 3.18Å; I10-S14 WeakPolarHBondContact O-CB 3.42Å; I10-S14 PolarHBondContact O-N 3.09Å
11E40.3Very low55.4Low133 Ų133111.1 Ų111.162%0.62156%0.557SS**Hα-helixtrans-65.5-45.9177.9-75.9-175.3168.100111.9S7 S14 D15S7-E11 PolarHBondContact O-N 2.89Å; S7-E11 VanDerWaalsContact O-N 3.13Å; E11-S14 PolarHBondContact O-N 3.36Å; E11-S14 PolarHBondContact O-OG 2.79Å; E11-D15 PolarHBondContact O-N 3.05Å
12Q44.8Very low57.4Low121 Ų121101 Ų10157%0.56551%0.509SS*.Hα-helixtrans-62.6-43.8175.7-76.1-179.7-10.800112.2S8 S14 D15 D16S8-Q12 WeakPolarHBondContact O-CB 3.31Å; S8-Q12 WeakPolarHBondContact O-CG 3.4Å; S8-Q12 PolarHBondContact O-N 3.21Å; Q12-S14 VanDerWaalsContact C-N 3.26Å; Q12-S14 PolarHBondContact O-N 2.74Å; Q12-D15 PolarHBondContact O-N 3.32Å; Q12-D15 VanDerWaalsContact O-N 3.1Å; Q12-D16 PolarHBondContact O-N 3.24Å
13S54.1Low59.4Low56 Ų5697.7 Ų97.739%0.39249%0.494SS..Hα-helixtrans-58.6-39.1175.7177.20000112H9 I10 K17H9-S13 WeakPolarHBondContact O-CB 3.47Å; H9-S13 PolarHBondContact O-N 2.76Å; I10-S13 PolarHBondContact O-N 3.18Å; S13-K17 WeakPolarHBondContact O-CB 3.21Å; S13-K17 WeakPolarHBondContact O-CG 3.46Å; S13-K17 PolarHBondContact O-N 2.91Å; S13-K17 VanDerWaalsContact O-N 3.11Å
14S60.4Low61.4Low71 Ų7192.5 Ų92.550%0.49746%0.46SS..Hα-helixtrans-67.4-37.8176.282.70000112.3I10 E11 Q12 W18I10-S14 WeakPolarHBondContact O-CB 3.42Å; I10-S14 PolarHBondContact O-N 3.09Å; E11-S14 PolarHBondContact O-N 3.36Å; E11-S14 PolarHBondContact O-OG 2.79Å; Q12-S14 VanDerWaalsContact C-N 3.26Å; Q12-S14 PolarHBondContact O-N 2.74Å; S14-W18 VanDerWaalsContact O-CB 3.25Å; S14-W18 WeakPolarHBondContact O-CB 3.46Å; S14-W18 PolarHBondContact O-N 3.09Å
15D66.3Low63.3Low63 Ų6388.3 Ų88.334%0.33743%0.434SS..Hα-helixtrans-71-38.4179-164.330.8000111.6E11 Q12 W18 R19E11-D15 PolarHBondContact O-N 3.05Å; Q12-D15 PolarHBondContact O-N 3.32Å; Q12-D15 VanDerWaalsContact O-N 3.1Å; D15-W18 WeakPolarHBondContact O-CB 3.23Å; D15-W18 PolarHBondContact O-N 3.34Å; D15-R19 VanDerWaalsContact O-CG 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 2.7Å; D15-R19 IonicContact OD1-NE 2.83Å; D15-R19 IonicContact OD2-CZ 3.23Å; D15-R19 VanDerWaalsContact OD2-CZ 3.27Å; D15-R19 IonicContact OD2-NE 3.88Å; D15-R19 PolarHBondContact OD2-NE 3.34Å; D15-R19 VanDerWaalsContact OD2-NE 3.11Å; D15-R19 IonicContact OD2-NH2 2.52Å; D15-R19 PolarHBondContact OD2-NH2 3.01Å
16D72.6Confident64.9Low104 Ų10483.8 Ų83.856%0.55642%0.415SS*.Hα-helixtrans-67.6-45.7176.5-76.2-20000112Q12 W18 R19 L20Q12-D16 PolarHBondContact O-N 3.24Å; D16-W18 PolarHBondContact O-N 3.34Å; D16-R19 PolarHBondContact O-N 3.12Å; D16-L20 WeakPolarHBondContact O-CB 3.35Å; D16-L20 PolarHBondContact O-N 3.07Å
17K70.9Confident66.5Low92 Ų9278.7 Ų78.740%0.439%0.393SS..Hα-helixtrans-58.4-38.9172.7-75.4-177.4180-176.90111S13 W21S13-K17 WeakPolarHBondContact O-CB 3.21Å; S13-K17 WeakPolarHBondContact O-CG 3.46Å; S13-K17 PolarHBondContact O-N 2.91Å; S13-K17 VanDerWaalsContact O-N 3.11Å; K17-W21 WeakPolarHBondContact O-CB 3.18Å; K17-W21 PolarHBondContact O-N 3.45Å
18W74.9Confident68.3Low89 Ų8975.4 Ų75.434%0.33737%0.37SS..Hα-helixtrans-65.5-50.3177.3167.7-117.8000112.8S14 D15 D16 L20 W21 V22 R123S14-W18 VanDerWaalsContact O-CB 3.25Å; S14-W18 WeakPolarHBondContact O-CB 3.46Å; S14-W18 PolarHBondContact O-N 3.09Å; D15-W18 WeakPolarHBondContact O-CB 3.23Å; D15-W18 PolarHBondContact O-N 3.34Å; D16-W18 PolarHBondContact O-N 3.34Å; W18-L20 VanDerWaalsContact C-N 3.31Å; W18-L20 PolarHBondContact O-N 2.86Å; W18-W21 AromaticContact CE3-CE3 3.73Å; W18-W21 HydrophobicContact CE3-CE3 3.73Å; W18-W21 HydrophobicContact CE3-CZ3 4.2Å; W18-W21 HydrophobicContact CH2-CE3 4.03Å; W18-W21 AromaticContact CH2-CZ3 3.69Å; W18-W21 HydrophobicContact CH2-CZ3 3.69Å; W18-W21 HydrophobicContact CZ3-CD2 4.29Å; W18-W21 AromaticContact CZ3-CE3 3.28Å; W18-W21 HydrophobicContact CZ3-CE3 3.28Å; W18-W21 HydrophobicContact CZ3-CH2 4.29Å; W18-W21 AromaticContact CZ3-CZ3 3.28Å; W18-W21 HydrophobicContact CZ3-CZ3 3.28Å; W18-W21 WeakPolarHBondContact O-CB 3.47Å; W18-W21 PolarHBondContact O-N 3.2Å; W18-W21 VanDerWaalsContact O-N 3.16Å; W18-V22 HydrophobicContact CD2-CG2 3.69Å; W18-V22 VanDerWaalsContact CE2-CG2 3.41Å; W18-V22 HydrophobicContact CE3-CG2 3.82Å; W18-V22 HydrophobicContact CG-CG2 4.49Å; W18-V22 HydrophobicContact CH2-CG2 3.57Å; W18-V22 HydrophobicContact CZ2-CG2 3.36Å; W18-V22 HydrophobicContact CZ3-CG2 3.79Å; W18-V22 WeakPolarHBondContact O-CG2 3.4Å; W18-V22 PolarHBondContact O-N 3.21Å; W18-R123 HydrophobicContact CE3-CG 4.35Å; W18-R123 HydrophobicContact CZ3-CG 4.11Å
19R78.8Confident70.1Confident141 Ų14175.1 Ų75.153%0.53236%0.364SS..Hα-helixtrans-58.3-45.8178.3-73.2172.7-171.8-163.24.7110.9D15 D16 W21 V22 Q23D15-R19 VanDerWaalsContact O-CG 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 2.7Å; D15-R19 IonicContact OD1-NE 2.83Å; D15-R19 IonicContact OD2-CZ 3.23Å; D15-R19 VanDerWaalsContact OD2-CZ 3.27Å; D15-R19 IonicContact OD2-NE 3.88Å; D15-R19 PolarHBondContact OD2-NE 3.34Å; D15-R19 VanDerWaalsContact OD2-NE 3.11Å; D15-R19 IonicContact OD2-NH2 2.52Å; D15-R19 PolarHBondContact OD2-NH2 3.01Å; D16-R19 PolarHBondContact O-N 3.12Å; R19-W21 PolarHBondContact O-N 3.28Å; R19-V22 PolarHBondContact O-N 3.43Å; R19-Q23 WeakPolarHBondContact O-CB 3.27Å; R19-Q23 VanDerWaalsContact O-CG 3.27Å; R19-Q23 WeakPolarHBondContact O-CG 3.42Å; R19-Q23 PolarHBondContact O-N 3.47Å
20L77Confident71.6Confident44 Ų4475.6 Ų75.623%0.2337%0.37CS..Hα-helixtrans-56.6-51.7174.8-178.371.3000110.6D16 W18 V22 Q23 K24 L47D16-L20 WeakPolarHBondContact O-CB 3.35Å; D16-L20 PolarHBondContact O-N 3.07Å; W18-L20 VanDerWaalsContact C-N 3.31Å; W18-L20 PolarHBondContact O-N 2.86Å; L20-V22 PolarHBondContact O-N 3.33Å; L20-Q23 PolarHBondContact O-N 2.86Å; L20-K24 HydrophobicContact CD1-CD 4.44Å; L20-K24 VanDerWaalsContact CD1-CE 3.46Å; L20-K24 HydrophobicContact CD1-CG 4.24Å; L20-K24 HydrophobicContact CG-CG 4.35Å; L20-K24 WeakPolarHBondContact O-CB 3.22Å; L20-K24 VanDerWaalsContact O-CG 3.29Å; L20-K24 WeakPolarHBondContact O-CG 3.36Å; L20-K24 PolarHBondContact O-N 3.48Å; L20-L47 HydrophobicContact CD2-CD2 3.42Å; L20-L47 VanDerWaalsContact CD2-CD2 3.42Å; L20-L47 HydrophobicContact CD2-CG 4.31Å
21W82Confident72.8Confident8 Ų869.8 Ų69.83%0.0334%0.34CS..Hα-helixtrans-57.6-47.7179.6179.591.2000112.7K17 W18 R19 Q23 K24 R25 L119 Y120 R123 Y124K17-W21 WeakPolarHBondContact O-CB 3.18Å; K17-W21 PolarHBondContact O-N 3.45Å; W18-W21 AromaticContact CE3-CE3 3.73Å; W18-W21 HydrophobicContact CE3-CE3 3.73Å; W18-W21 HydrophobicContact CE3-CZ3 4.2Å; W18-W21 HydrophobicContact CH2-CE3 4.03Å; W18-W21 AromaticContact CH2-CZ3 3.69Å; W18-W21 HydrophobicContact CH2-CZ3 3.69Å; W18-W21 HydrophobicContact CZ3-CD2 4.29Å; W18-W21 AromaticContact CZ3-CE3 3.28Å; W18-W21 HydrophobicContact CZ3-CE3 3.28Å; W18-W21 HydrophobicContact CZ3-CH2 4.29Å; W18-W21 AromaticContact CZ3-CZ3 3.28Å; W18-W21 HydrophobicContact CZ3-CZ3 3.28Å; W18-W21 WeakPolarHBondContact O-CB 3.47Å; W18-W21 PolarHBondContact O-N 3.2Å; W18-W21 VanDerWaalsContact O-N 3.16Å; R19-W21 PolarHBondContact O-N 3.28Å; W21-Q23 VanDerWaalsContact C-N 3.34Å; W21-Q23 PolarHBondContact O-N 3.25Å; W21-K24 PolarHBondContact O-N 3.03Å; W21-R25 VanDerWaalsContact CH2-CD 3.42Å; W21-R25 HydrophobicContact CZ2-CG 4.4Å; W21-R25 VanDerWaalsContact O-CB 3.23Å; W21-R25 WeakPolarHBondContact O-CB 3.37Å; W21-R25 PolarHBondContact O-N 3.14Å; W21-L119 HydrophobicContact CG-CD2 4.5Å; W21-L119 PolarHBondContact NE1-O 2.89Å; W21-Y120 HydrophobicContact CH2-CE1 4.2Å; W21-Y120 AromaticContact CZ2-CD1 3.76Å; W21-Y120 HydrophobicContact CZ2-CD1 3.76Å; W21-Y120 AromaticContact CZ2-CE1 3.74Å; W21-Y120 HydrophobicContact CZ2-CE1 3.74Å; W21-R123 HydrophobicContact CD2-CB 3.98Å; W21-R123 HydrophobicContact CD2-CG 3.98Å; W21-R123 HydrophobicContact CE3-CG 4.29Å; W21-R123 HydrophobicContact CG-CB 4.01Å; W21-R123 HydrophobicContact CG-CG 4.37Å; W21-R123 HydrophobicContact CH2-CG 4.39Å; W21-R123 HydrophobicContact CZ2-CB 4.16Å; W21-R123 HydrophobicContact CZ2-CG 4.13Å; W21-R123 HydrophobicContact CZ3-CG 4.48Å; W21-Y124 AromaticContact CH2-CE2 3.68Å; W21-Y124 HydrophobicContact CH2-CE2 3.68Å; W21-Y124 HydrophobicContact CZ2-CD2 4.45Å; W21-Y124 AromaticContact CZ2-CE2 3.68Å; W21-Y124 HydrophobicContact CZ2-CE2 3.68Å
22V80.7Confident73.9Confident32 Ų3267.5 Ų67.519%0.19433%0.326CS..Hα-helixtrans-60.1-46.8179.91710000110.5W18 R19 L20 N26W18-V22 HydrophobicContact CD2-CG2 3.69Å; W18-V22 VanDerWaalsContact CE2-CG2 3.41Å; W18-V22 HydrophobicContact CE3-CG2 3.82Å; W18-V22 HydrophobicContact CG-CG2 4.49Å; W18-V22 HydrophobicContact CH2-CG2 3.57Å; W18-V22 HydrophobicContact CZ2-CG2 3.36Å; W18-V22 HydrophobicContact CZ3-CG2 3.79Å; W18-V22 WeakPolarHBondContact O-CG2 3.4Å; W18-V22 PolarHBondContact O-N 3.21Å; R19-V22 PolarHBondContact O-N 3.43Å; L20-V22 PolarHBondContact O-N 3.33Å; V22-N26 WeakPolarHBondContact O-CB 3.38Å; V22-N26 PolarHBondContact O-N 3.29Å; V22-N26 PolarHBondContact O-ND2 3.12Å; V22-N26 PolarHBondContact O-OD1 3.37Å
23Q83.9Confident74.8Confident123 Ų12373.3 Ų73.358%0.57534%0.343SS*.Hα-helixtrans-60.2-48.6178.3-72175.2-0.200111.4R19 L20 W21 N26 K27R19-Q23 WeakPolarHBondContact O-CB 3.27Å; R19-Q23 VanDerWaalsContact O-CG 3.27Å; R19-Q23 WeakPolarHBondContact O-CG 3.42Å; R19-Q23 PolarHBondContact O-N 3.47Å; L20-Q23 PolarHBondContact O-N 2.86Å; W21-Q23 VanDerWaalsContact C-N 3.34Å; W21-Q23 PolarHBondContact O-N 3.25Å; Q23-N26 PolarHBondContact O-N 2.89Å; Q23-K27 PolarHBondContact O-N 3.41Å
24K84.5Confident75.6Confident22 Ų2280.4 Ų80.410%0.09636%0.361CS..Hα-helixtrans-66.8-45.2-177.9-67.5-27.5171.8-168.90112.7L20 W21 N26 K27 L28 F40 E44 L119L20-K24 HydrophobicContact CD1-CD 4.44Å; L20-K24 VanDerWaalsContact CD1-CE 3.46Å; L20-K24 HydrophobicContact CD1-CG 4.24Å; L20-K24 HydrophobicContact CG-CG 4.35Å; L20-K24 WeakPolarHBondContact O-CB 3.22Å; L20-K24 VanDerWaalsContact O-CG 3.29Å; L20-K24 WeakPolarHBondContact O-CG 3.36Å; L20-K24 PolarHBondContact O-N 3.48Å; W21-K24 PolarHBondContact O-N 3.03Å; K24-N26 PolarHBondContact O-N 3.2Å; K24-K27 WeakPolarHBondContact O-CB 3.23Å; K24-K27 PolarHBondContact O-N 2.84Å; K24-L28 PolarHBondContact O-N 3.13Å; K24-F40 HydrophobicContact CB-CE1 3.72Å; K24-F40 HydrophobicContact CD-CD1 4.02Å; K24-F40 HydrophobicContact CD-CE1 3.97Å; K24-F40 HydrophobicContact CG-CD1 4.34Å; K24-F40 HydrophobicContact CG-CE1 4Å; K24-E44 WeakPolarHBondContact CE-OE1 3.46Å; K24-E44 WeakPolarHBondContact CE-OE2 3.48Å; K24-E44 IonicContact NZ-OE1 3.77Å; K24-E44 PolarHBondContact NZ-OE1 3.02Å; K24-E44 IonicContact NZ-OE2 3.76Å; K24-E44 PolarHBondContact NZ-OE2 2.93Å; K24-L119 HydrophobicContact CB-CD1 3.83Å; K24-L119 HydrophobicContact CB-CD2 4.04Å
25R86.5Confident76.1Confident53 Ų5380.2 Ų80.220%0.235%0.353CS..Hα-helixtrans-58.5-49.5173.1-179.4-155.965.2-170.1-5.8110.4W21 K27 L28 L29 L116W21-R25 VanDerWaalsContact CH2-CD 3.42Å; W21-R25 HydrophobicContact CZ2-CG 4.4Å; W21-R25 VanDerWaalsContact O-CB 3.23Å; W21-R25 WeakPolarHBondContact O-CB 3.37Å; W21-R25 PolarHBondContact O-N 3.14Å; R25-K27 VanDerWaalsContact C-N 3.27Å; R25-K27 PolarHBondContact O-N 2.99Å; R25-L28 WeakPolarHBondContact O-CB 3.49Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-L28 VanDerWaalsContact O-N 3.15Å; R25-L29 HydrophobicContact CG-CD1 4.26Å; R25-L29 HydrophobicContact CG-CG 4.26Å; R25-L29 WeakPolarHBondContact O-CG 3.29Å; R25-L29 PolarHBondContact O-N 2.92Å; R25-L116 HydrophobicContact CG-CD1 4.35Å
26N82Confident76.5Confident64 Ų6481 Ų8134%0.34236%0.355SS..Hα-helixtrans-60.1-38.7-178.7-71.3-6.3000111.5V22 Q23 K24 L28 L29 L30V22-N26 WeakPolarHBondContact O-CB 3.38Å; V22-N26 PolarHBondContact O-N 3.29Å; V22-N26 PolarHBondContact O-ND2 3.12Å; V22-N26 PolarHBondContact O-OD1 3.37Å; Q23-N26 PolarHBondContact O-N 2.89Å; K24-N26 PolarHBondContact O-N 3.2Å; N26-L28 PolarHBondContact O-N 2.74Å; N26-L29 PolarHBondContact O-N 3.25Å; N26-L30 VanDerWaalsContact O-CG 3.31Å; N26-L30 WeakPolarHBondContact O-CG 3.43Å; N26-L30 PolarHBondContact O-N 3.21Å
27K81.4Confident76.9Confident70 Ų7083.4 Ų83.430%0.30436%0.356SS..Hα-helixtrans-57.9-47.4174-168.3169.6178.8-169.90112Q23 K24 R25 L29 L30 Q31 P39Q23-K27 PolarHBondContact O-N 3.41Å; K24-K27 WeakPolarHBondContact O-CB 3.23Å; K24-K27 PolarHBondContact O-N 2.84Å; R25-K27 VanDerWaalsContact C-N 3.27Å; R25-K27 PolarHBondContact O-N 2.99Å; K27-L29 PolarHBondContact O-N 3.32Å; K27-L30 PolarHBondContact O-N 2.84Å; K27-Q31 WeakPolarHBondContact O-CG 3.15Å; K27-Q31 PolarHBondContact O-N 2.99Å; K27-Q31 VanDerWaalsContact O-N 3.09Å; K27-P39 WeakPolarHBondContact CD-O 3.46Å; K27-P39 WeakPolarHBondContact CE-O 3.31Å; K27-P39 PolarHBondContact NZ-O 3.1Å
28L82.8Confident77.7Confident0 Ų083.5 Ų83.50%036%0.358CS..Hα-helixtrans-61.7-40.2174-75.7169.8000113.2K24 R25 N26 L30 Q31 F40 F79 E112 M115 L116 L119K24-L28 PolarHBondContact O-N 3.13Å; R25-L28 WeakPolarHBondContact O-CB 3.49Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-L28 VanDerWaalsContact O-N 3.15Å; N26-L28 PolarHBondContact O-N 2.74Å; L28-L30 VanDerWaalsContact C-N 3.25Å; L28-L30 PolarHBondContact O-N 3.04Å; L28-Q31 PolarHBondContact O-N 2.84Å; L28-F40 HydrophobicContact CD1-CE2 4.09Å; L28-F40 HydrophobicContact CD1-CZ 3.59Å; L28-F40 HydrophobicContact CD2-CE2 3.79Å; L28-F40 HydrophobicContact CD2-CZ 3.88Å; L28-F40 HydrophobicContact CG-CE2 3.96Å; L28-F40 HydrophobicContact CG-CZ 3.5Å; L28-F79 HydrophobicContact CB-CZ 4.14Å; L28-F79 HydrophobicContact CD2-CZ 4.24Å; L28-E112 HydrophobicContact CD2-CB 3.75Å; L28-E112 HydrophobicContact CD2-CG 3.65Å; L28-M115 HydrophobicContact CD1-CB 4.28Å; L28-L116 HydrophobicContact CD1-CB 3.91Å; L28-L116 HydrophobicContact CD1-CD1 4.1Å; L28-L119 HydrophobicContact CD1-CD1 3.9Å
29L79.7Confident78.3Confident43 Ų4379.3 Ų79.323%0.22534%0.342CS..Hα-helixtrans-69.8-23.1178.4-60.7-167.9000112.7R25 N26 K27 R32 L83R25-L29 HydrophobicContact CG-CD1 4.26Å; R25-L29 HydrophobicContact CG-CG 4.26Å; R25-L29 WeakPolarHBondContact O-CG 3.29Å; R25-L29 PolarHBondContact O-N 2.92Å; N26-L29 PolarHBondContact O-N 3.25Å; K27-L29 PolarHBondContact O-N 3.32Å; L29-R32 VanDerWaalsContact CD2-NH2 3.27Å; L29-R32 WeakPolarHBondContact O-CB 3.32Å; L29-R32 WeakPolarHBondContact O-CD 3.05Å; L29-R32 WeakPolarHBondContact O-CG 3.2Å; L29-L83 HydrophobicContact CD2-CD2 3.76Å
30L74.9Confident79Confident135 Ų13572.7 Ų72.771%0.70732%0.317SS*.Hα-helixtrans-79.6-34.9172.7-70.8168.8000112.1N26 K27 L28 R32N26-L30 VanDerWaalsContact O-CG 3.31Å; N26-L30 WeakPolarHBondContact O-CG 3.43Å; N26-L30 PolarHBondContact O-N 3.21Å; K27-L30 PolarHBondContact O-N 2.84Å; L28-L30 VanDerWaalsContact C-N 3.25Å; L28-L30 PolarHBondContact O-N 3.04Å; L30-R32 PolarHBondContact O-N 2.97Å
31Q69.6Low79.8Confident2 Ų272.6 Ų72.61%0.00932%0.32CS..G310 helixtrans-65.2-5.3175.3-74.3177.89.800115K27 L28 R33 R34 E36 P39K27-Q31 WeakPolarHBondContact O-CG 3.15Å; K27-Q31 PolarHBondContact O-N 2.99Å; K27-Q31 VanDerWaalsContact O-N 3.09Å; L28-Q31 PolarHBondContact O-N 2.84Å; Q31-R33 PolarHBondContact O-N 2.78Å; Q31-R34 CarbonylContact O-C 3.6Å; Q31-R34 PolarHBondContact O-N 3.42Å; Q31-E36 HydrophobicContact CG-CB 4.45Å; Q31-E36 HydrophobicContact CG-CG 3.94Å; Q31-E36 WeakPolarHBondContact CG-OE1 3.44Å; Q31-E36 PolarHBondContact NE2-OE2 3.41Å; Q31-P39 VanDerWaalsContact NE2-CA 3.35Å
32R64Low80.4Confident85 Ų8574.2 Ų74.232%0.32133%0.331SS..G310 helixtrans-42.8-21.5168.5-77-175.4-177.1-174.90114.9L29 L30 H80 L83 Y91L29-R32 VanDerWaalsContact CD2-NH2 3.27Å; L29-R32 WeakPolarHBondContact O-CB 3.32Å; L29-R32 WeakPolarHBondContact O-CD 3.05Å; L29-R32 WeakPolarHBondContact O-CG 3.2Å; L30-R32 PolarHBondContact O-N 2.97Å; R32-H80 PolarHBondContact O-CE1 3.3Å; R32-L83 HydrophobicContact CG-CD1 3.49Å; R32-L83 VanDerWaalsContact CG-CD1 3.49Å; R32-Y91 PolarHBondContact NH2-OH 2.84Å
33R64.5Low81.1Confident242 Ų24279.3 Ų79.391%0.91335%0.353SS*.G310 helixtrans-97.5-35.2179.9-63.3-176.1176.7-174.8-0.4114.9Q31Q31-R33 PolarHBondContact O-N 2.78Å
34R69.6Low81.6Confident205 Ų20575.6 Ų75.677%0.77434%0.335SS*.SBendtrans-153.7132.6-175.1-173.7176.4176.4175.8-0.4109.8Q31 E36Q31-R34 CarbonylContact O-C 3.6Å; Q31-R34 PolarHBondContact O-N 3.42Å; R34-E36 PolarHBondContact O-N 2.86Å
35M72Confident82.1Confident68 Ų6874.6 Ų74.634%0.33533%0.331SS..  trans-61.9122.6170.7-175.3-162.9-67.900109.7P108 M109M35-P108 HydrophobicContact CE-CB 3.86Å; M35-P108 HydrophobicContact CE-CG 4.42Å; M35-P108 VanDerWaalsContact CE-O 3.32Å; M35-P108 WeakPolarHBondContact CE-O 3.48Å; M35-M109 HydrophobicContact CB-CE 4.32Å; M35-M109 HydrophobicContact CE-CG 3.48Å; M35-M109 VanDerWaalsContact CE-CG 3.48Å; M35-M109 HydrophobicContact CE-SD 4.32Å; M35-M109 HydrophobicContact CG-CE 4.4Å; M35-M109 HydrophobicContact CG-CG 4.47Å
36E74.5Confident82.6Confident80 Ų8072.5 Ų72.537%0.37433%0.326SS..  trans-87150.3171.3-72.7175.7-160.700109.9Q31 R34 Q38 R153Q31-E36 HydrophobicContact CG-CB 4.45Å; Q31-E36 HydrophobicContact CG-CG 3.94Å; Q31-E36 WeakPolarHBondContact CG-OE1 3.44Å; Q31-E36 PolarHBondContact NE2-OE2 3.41Å; R34-E36 PolarHBondContact O-N 2.86Å; E36-Q38 PolarHBondContact O-N 3.16Å; E36-R153 PolarHBondContact O-NH2 3.26Å
37R81.1Confident83.3Confident153 Ų15373.1 Ų73.158%0.57733%0.329SS*.SBendtrans-62.3-45.5178.9-169.6177176.7169.4-4111.3R153 E155R37-R153 WeakPolarHBondContact O-CB 3.45Å; R37-R153 PolarHBondContact O-NE 3.14Å; R37-E155 IonicContact NH2-OE1 3.23Å; R37-E155 PolarHBondContact NH2-OE1 2.95Å
38Q87.1Confident84Confident95 Ų9570 Ų7044%0.44432%0.316SS..  trans-135.186.6-178.2-67.5177.7-7.400110.4E36 F40 R153 Y154E36-Q38 PolarHBondContact O-N 3.16Å; Q38-F40 PolarHBondContact O-N 2.92Å; Q38-R153 VanDerWaalsContact CG-O 3.32Å; Q38-R153 WeakPolarHBondContact CG-O 3.13Å; Q38-R153 PolarHBondContact NE2-O 2.9Å; Q38-Y154 HydrophobicContact CB-CE1 3.94Å; Q38-Y154 HydrophobicContact CG-CD1 3.99Å; Q38-Y154 HydrophobicContact CG-CE1 3.65Å
39P88.4Confident84.7Confident0 Ų070.2 Ų70.20%032%0.317CS..SBendtrans-61.9-21.3176.624.9-38000113.2K27 Q31 L111K27-P39 WeakPolarHBondContact CD-O 3.46Å; K27-P39 WeakPolarHBondContact CE-O 3.31Å; K27-P39 PolarHBondContact NZ-O 3.1Å; Q31-P39 VanDerWaalsContact NE2-CA 3.35Å; P39-L111 HydrophobicContact CG-CD2 3.45Å; P39-L111 VanDerWaalsContact CG-CD2 3.45Å; P39-L111 HydrophobicContact CG-CG 4.26Å
40F92Very high85.6Confident3 Ų371.4 Ų71.41%0.01333%0.326CS..SBendtrans-138.5152-176.7-60.8-70000109.1K24 L28 Q38 E44 I45 M115 L119 Y154K24-F40 HydrophobicContact CB-CE1 3.72Å; K24-F40 HydrophobicContact CD-CD1 4.02Å; K24-F40 HydrophobicContact CD-CE1 3.97Å; K24-F40 HydrophobicContact CG-CD1 4.34Å; K24-F40 HydrophobicContact CG-CE1 4Å; L28-F40 HydrophobicContact CD1-CE2 4.09Å; L28-F40 HydrophobicContact CD1-CZ 3.59Å; L28-F40 HydrophobicContact CD2-CE2 3.79Å; L28-F40 HydrophobicContact CD2-CZ 3.88Å; L28-F40 HydrophobicContact CG-CE2 3.96Å; L28-F40 HydrophobicContact CG-CZ 3.5Å; Q38-F40 PolarHBondContact O-N 2.92Å; F40-E44 VanDerWaalsContact CA-OE2 3.28Å; F40-E44 WeakPolarHBondContact CA-OE2 3.42Å; F40-E44 HydrophobicContact CB-CB 4.18Å; F40-I45 HydrophobicContact CB-CD1 4.21Å; F40-I45 HydrophobicContact CB-CG1 3.74Å; F40-M115 HydrophobicContact CD1-CE 4.2Å; F40-M115 HydrophobicContact CD2-CB 4.32Å; F40-M115 HydrophobicContact CD2-CE 3.73Å; F40-M115 HydrophobicContact CD2-CG 3.94Å; F40-M115 HydrophobicContact CE1-CE 4.34Å; F40-M115 HydrophobicContact CE2-CB 3.61Å; F40-M115 HydrophobicContact CE2-CE 3.87Å; F40-M115 HydrophobicContact CE2-CG 3.74Å; F40-M115 HydrophobicContact CG-CE 3.88Å; F40-M115 HydrophobicContact CZ-CB 4.18Å; F40-M115 HydrophobicContact CZ-CE 4.14Å; F40-L119 HydrophobicContact CZ-CD1 4.45Å; F40-Y154 VanDerWaalsContact O-CE1 3.3Å; F40-Y154 WeakPolarHBondContact O-CE1 3.26Å; F40-Y154 PolarHBondContact O-OH 3.44Å
41S93.5Very high86.6Confident41 Ų4166.4 Ų66.429%0.28730%0.299SS..  trans-74164.7166.783.20000110.6E43 E44 I45S41-E43 WeakPolarHBondContact CB-OE2 3.34Å; S41-E43 PolarHBondContact O-N 2.8Å; S41-E43 PolarHBondContact OG-N 3.35Å; S41-E43 PolarHBondContact OG-OE2 3.13Å; S41-E44 PolarHBondContact N-OE2 3.36Å; S41-E44 WeakPolarHBondContact O-CB 3.4Å; S41-E44 PolarHBondContact O-N 3.37Å; S41-E44 WeakPolarHBondContact OG-CG 3.19Å; S41-E44 PolarHBondContact OG-N 2.96Å; S41-I45 WeakPolarHBondContact O-CG1 3.47Å; S41-I45 PolarHBondContact O-N 3.37Å
42V95.9Very high88Confident43 Ų4366.3 Ų66.326%0.26130%0.299SS..Hα-helixtrans-60.8-39.2176.4173.10000110.5E44 I45 G46 Y154 V159V42-E44 VanDerWaalsContact C-N 3.35Å; V42-E44 PolarHBondContact O-N 3.47Å; V42-I45 PolarHBondContact O-N 3.36Å; V42-G46 PolarHBondContact O-N 3.29Å; V42-Y154 HydrophobicContact CG2-CD1 3.96Å; V42-V159 HydrophobicContact CB-CG2 4.45Å; V42-V159 HydrophobicContact CG1-CG2 3.97Å; V42-V159 HydrophobicContact CG2-CG2 3.91Å
43E94.8Very high89.6Confident139 Ų13965.8 Ų65.865%0.6530%0.299SS*.Hα-helixtrans-64.7-40.2177.4-55.175.5-160.900111.3S41 G46 L47S41-E43 WeakPolarHBondContact CB-OE2 3.34Å; S41-E43 PolarHBondContact O-N 2.8Å; S41-E43 PolarHBondContact OG-N 3.35Å; S41-E43 PolarHBondContact OG-OE2 3.13Å; E43-G46 PolarHBondContact O-N 3.08Å; E43-L47 WeakPolarHBondContact O-CB 3.37Å; E43-L47 PolarHBondContact O-N 3.08Å
44E93.9Very high91.2Very high45 Ų4559.6 Ų59.621%0.2128%0.28CS..Hα-helixtrans-65.1-41.5177.7-70.6166.617800111.9K24 F40 S41 V42 V48K24-E44 WeakPolarHBondContact CE-OE1 3.46Å; K24-E44 WeakPolarHBondContact CE-OE2 3.48Å; K24-E44 IonicContact NZ-OE1 3.77Å; K24-E44 PolarHBondContact NZ-OE1 3.02Å; K24-E44 IonicContact NZ-OE2 3.76Å; K24-E44 PolarHBondContact NZ-OE2 2.93Å; F40-E44 VanDerWaalsContact CA-OE2 3.28Å; F40-E44 WeakPolarHBondContact CA-OE2 3.42Å; F40-E44 HydrophobicContact CB-CB 4.18Å; S41-E44 PolarHBondContact N-OE2 3.36Å; S41-E44 WeakPolarHBondContact O-CB 3.4Å; S41-E44 PolarHBondContact O-N 3.37Å; S41-E44 WeakPolarHBondContact OG-CG 3.19Å; S41-E44 PolarHBondContact OG-N 2.96Å; V42-E44 VanDerWaalsContact C-N 3.35Å; V42-E44 PolarHBondContact O-N 3.47Å; E44-V48 WeakPolarHBondContact O-CG2 3.43Å; E44-V48 PolarHBondContact O-N 2.63Å; E44-V48 VanDerWaalsContact O-N 3.1Å
45I96.1Very high92.5Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-63-47.6175-66.4170000109.9F40 S41 V42 L47 V48 C49 L111 M115 Y154 V159 F163F40-I45 HydrophobicContact CB-CD1 4.21Å; F40-I45 HydrophobicContact CB-CG1 3.74Å; S41-I45 WeakPolarHBondContact O-CG1 3.47Å; S41-I45 PolarHBondContact O-N 3.37Å; V42-I45 PolarHBondContact O-N 3.36Å; I45-L47 VanDerWaalsContact C-N 3.32Å; I45-L47 PolarHBondContact O-N 3.29Å; I45-V48 PolarHBondContact O-N 3.08Å; I45-C49 WeakPolarHBondContact O-CB 3.2Å; I45-C49 PolarHBondContact O-N 3.14Å; I45-C49 PolarHBondContact O-SG 2.84Å; I45-L111 HydrophobicContact CD1-CD1 4.1Å; I45-M115 HydrophobicContact CG1-CE 4.23Å; I45-M115 HydrophobicContact CG1-SD 4.41Å; I45-Y154 HydrophobicContact CD1-CE1 3.93Å; I45-Y154 HydrophobicContact CD1-CE2 3.92Å; I45-V159 HydrophobicContact CD1-CG1 3.85Å; I45-V159 HydrophobicContact CG2-CG1 4.07Å; I45-F163 HydrophobicContact CG2-CD2 4.36Å; I45-F163 HydrophobicContact CG2-CE1 4.42Å; I45-F163 HydrophobicContact CG2-CE2 3.54Å; I45-F163 HydrophobicContact CG2-CZ 3.57Å
46G97.4Very high93.8Very high10 Ų1048 Ų4810%0.10324%0.242CC..Hα-helixtrans-62.4-38-179.500000113.9V42 E43 T50V42-G46 PolarHBondContact O-N 3.29Å; E43-G46 PolarHBondContact O-N 3.08Å; G46-T50 WeakPolarHBondContact O-CB 3.25Å; G46-T50 PolarHBondContact O-N 2.74Å; G46-T50 PolarHBondContact O-OG1 3.48Å
47L95.8Very high94.9Very high76 Ų7646.2 Ų46.240%0.39824%0.241SC..Hα-helixtrans-64.2-44.8174-177.758.9000111.9L20 E43 I45 T50 Q51L20-L47 HydrophobicContact CD2-CD2 3.42Å; L20-L47 VanDerWaalsContact CD2-CD2 3.42Å; L20-L47 HydrophobicContact CD2-CG 4.31Å; E43-L47 WeakPolarHBondContact O-CB 3.37Å; E43-L47 PolarHBondContact O-N 3.08Å; I45-L47 VanDerWaalsContact C-N 3.32Å; I45-L47 PolarHBondContact O-N 3.29Å; L47-T50 PolarHBondContact O-N 3.31Å; L47-Q51 HydrophobicContact CD1-CG 4.36Å; L47-Q51 WeakPolarHBondContact O-CG 3.37Å; L47-Q51 PolarHBondContact O-N 2.62Å
48V96.2Very high95.6Very high5 Ų543.2 Ų43.23%0.0325%0.249CC..Hα-helixtrans-64-45.6177.2169.80000111E44 I45 T50 Q51 A52 M115 L118 L119 I122E44-V48 WeakPolarHBondContact O-CG2 3.43Å; E44-V48 PolarHBondContact O-N 2.63Å; E44-V48 VanDerWaalsContact O-N 3.1Å; I45-V48 PolarHBondContact O-N 3.08Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 2.71Å; V48-Q51 PolarHBondContact O-N 2.54Å; V48-A52 VanDerWaalsContact O-CB 3.29Å; V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 2.87Å; V48-M115 HydrophobicContact CB-CE 3.9Å; V48-M115 HydrophobicContact CB-SD 4.39Å; V48-M115 HydrophobicContact CG1-CE 3.94Å; V48-M115 HydrophobicContact CG1-SD 4.01Å; V48-M115 HydrophobicContact CG2-CE 3.84Å; V48-L118 HydrophobicContact CG1-CB 3.75Å; V48-L118 HydrophobicContact CG1-CD1 4.04Å; V48-L119 HydrophobicContact CG2-CD2 3.99Å; V48-I122 HydrophobicContact CB-CD1 4.49Å; V48-I122 HydrophobicContact CG1-CD1 3.92Å
49C98.3Very high96.1Very high4 Ų440.4 Ų40.43%0.02724%0.236CC..Hα-helixtrans-60.7-42.9177-74.10000111.8I45 A52 K53 Q162 F163 M166I45-C49 WeakPolarHBondContact O-CB 3.2Å; I45-C49 PolarHBondContact O-N 3.14Å; I45-C49 PolarHBondContact O-SG 2.84Å; C49-A52 PolarHBondContact O-N 2.89Å; C49-K53 WeakPolarHBondContact O-CB 3.43Å; C49-K53 PolarHBondContact O-N 3.43Å; C49-Q162 HydrophobicContact CB-CB 4.46Å; C49-F163 VanDerWaalsContact SG-CD1 3.58Å; C49-M166 HydrophobicContact CB-CB 4.22Å; C49-M166 WeakPolarHBondContact O-CG 3.23Å
50T97.8Very high96.5Very high68 Ų6842.7 Ų42.742%0.41725%0.252SS..Hα-helixtrans-62.8-48.8178.2-59.70000111.6G46 L47 V48 A52 K53 E54G46-T50 WeakPolarHBondContact O-CB 3.25Å; G46-T50 PolarHBondContact O-N 2.74Å; G46-T50 PolarHBondContact O-OG1 3.48Å; L47-T50 PolarHBondContact O-N 3.31Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 2.71Å; T50-A52 PolarHBondContact O-N 2.9Å; T50-K53 WeakPolarHBondContact O-CB 3.28Å; T50-K53 PolarHBondContact O-N 2.98Å; T50-E54 WeakPolarHBondContact O-CG 3.38Å; T50-E54 PolarHBondContact O-N 3.39Å
51Q96.5Very high96.8Very high31 Ų3142.7 Ų42.715%0.14525%0.252CS..Hα-helixtrans-66.8-39179.5-70.5-17515.600112.6L47 V48 E54 G55 I122L47-Q51 HydrophobicContact CD1-CG 4.36Å; L47-Q51 WeakPolarHBondContact O-CG 3.37Å; L47-Q51 PolarHBondContact O-N 2.62Å; V48-Q51 PolarHBondContact O-N 2.54Å; Q51-E54 PolarHBondContact O-N 2.8Å; Q51-G55 PolarHBondContact O-N 2.74Å; Q51-I122 HydrophobicContact CB-CD1 3.88Å; Q51-I122 HydrophobicContact CB-CG1 4.16Å; Q51-I122 HydrophobicContact CB-CG2 4.42Å
52A97.8Very high97.1Very high0 Ų040.8 Ų40.80%024%0.239CC..Hα-helixtrans-64.1-42.6174.700000111.4V48 C49 T50 E54 G55 F56 L118 I122 M166V48-A52 VanDerWaalsContact O-CB 3.29Å; V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 2.87Å; C49-A52 PolarHBondContact O-N 2.89Å; T50-A52 PolarHBondContact O-N 2.9Å; A52-E54 PolarHBondContact O-N 3.13Å; A52-G55 CarbonylContact O-C 3.48Å; A52-G55 PolarHBondContact O-N 2.73Å; A52-G55 VanDerWaalsContact O-N 3.17Å; A52-F56 HydrophobicContact CB-CD2 4.4Å; A52-F56 HydrophobicContact CB-CE2 4.12Å; A52-F56 WeakPolarHBondContact O-CD2 3.35Å; A52-F56 WeakPolarHBondContact O-CG 3.48Å; A52-F56 PolarHBondContact O-N 2.89Å; A52-L118 HydrophobicContact CB-CB 4.45Å; A52-L118 HydrophobicContact CB-CD2 3.81Å; A52-L118 HydrophobicContact CB-CG 4.46Å; A52-I122 HydrophobicContact CB-CD1 4.21Å; A52-I122 HydrophobicContact CB-CG1 4.24Å; A52-M166 HydrophobicContact CB-CG 3.97Å; A52-M166 HydrophobicContact CB-SD 4.32Å
53K98.4Very high97.2Very high73 Ų7339.1 Ų39.132%0.31723%0.228SC..Hα-helixtrans-56-50.2175.9-172.6-178.1109.6-175.70111.5C49 T50 G55 F56 A57 M166 W169C49-K53 WeakPolarHBondContact O-CB 3.43Å; C49-K53 PolarHBondContact O-N 3.43Å; T50-K53 WeakPolarHBondContact O-CB 3.28Å; T50-K53 PolarHBondContact O-N 2.98Å; K53-G55 VanDerWaalsContact C-N 3.33Å; K53-G55 PolarHBondContact O-N 3.2Å; K53-F56 PolarHBondContact O-N 3.04Å; K53-A57 WeakPolarHBondContact O-CB 3.45Å; K53-A57 PolarHBondContact O-N 3.35Å; K53-M166 HydrophobicContact CB-CB 4.34Å; K53-M166 HydrophobicContact CB-CG 4.19Å; K53-W169 HydrophobicContact CG-CB 4.37Å; K53-W169 HydrophobicContact CG-CD2 4.42Å; K53-W169 HydrophobicContact CG-CG 3.8Å
54E97.8Very high97.4Very high112 Ų11236.3 Ų36.352%0.52322%0.215SC..Hα-helixtrans-57.7-46175.2-70.7171-178.600111.5T50 Q51 A52 F56 A57 A58T50-E54 WeakPolarHBondContact O-CG 3.38Å; T50-E54 PolarHBondContact O-N 3.39Å; Q51-E54 PolarHBondContact O-N 2.8Å; A52-E54 PolarHBondContact O-N 3.13Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.23Å; E54-A57 PolarHBondContact O-N 3.11Å; E54-A58 PolarHBondContact O-N 2.64Å
55G97.4Very high97.6Very high29 Ų2934.3 Ų34.330%0.29921%0.206SC..Hα-helixtrans-62.7-35.4178.300000113.8Q51 A52 K53 Q59Q51-G55 PolarHBondContact O-N 2.74Å; A52-G55 CarbonylContact O-C 3.48Å; A52-G55 PolarHBondContact O-N 2.73Å; A52-G55 VanDerWaalsContact O-N 3.17Å; K53-G55 VanDerWaalsContact C-N 3.33Å; K53-G55 PolarHBondContact O-N 3.2Å; G55-Q59 WeakPolarHBondContact O-CG 3.39Å
56F98.6Very high97.6Very high0 Ų037.7 Ų37.70%022%0.222CC..Hα-helixtrans-76.7-38.8174.7-69-54.6000112.7A52 K53 E54 A58 Q59 L118 K121 L130 M166 W169 M170 P171 R202A52-F56 HydrophobicContact CB-CD2 4.4Å; A52-F56 HydrophobicContact CB-CE2 4.12Å; A52-F56 WeakPolarHBondContact O-CD2 3.35Å; A52-F56 WeakPolarHBondContact O-CG 3.48Å; A52-F56 PolarHBondContact O-N 2.89Å; K53-F56 PolarHBondContact O-N 3.04Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.23Å; F56-A58 PolarHBondContact O-N 3.07Å; F56-Q59 PolarHBondContact O-N 3.46Å; F56-Q59 VanDerWaalsContact O-N 3.07Å; F56-L118 HydrophobicContact CE2-CD2 4.02Å; F56-L118 HydrophobicContact CZ-CD2 4.31Å; F56-K121 HydrophobicContact CE1-CD 4.09Å; F56-K121 HydrophobicContact CE1-CG 4.05Å; F56-K121 HydrophobicContact CZ-CG 4.04Å; F56-L130 HydrophobicContact CE1-CB 4.04Å; F56-L130 HydrophobicContact CZ-CB 4.01Å; F56-L130 HydrophobicContact CZ-CD1 4Å; F56-L130 HydrophobicContact CZ-CG 4.48Å; F56-M166 HydrophobicContact CD2-CG 4.46Å; F56-M166 HydrophobicContact CD2-SD 3.97Å; F56-M166 HydrophobicContact CE2-CG 4.5Å; F56-M166 HydrophobicContact CE2-SD 3.56Å; F56-M166 VanDerWaalsContact CE2-SD 3.56Å; F56-W169 HydrophobicContact CB-CB 3.98Å; F56-W169 WeakPolarHBondContact CB-O 3.47Å; F56-M170 HydrophobicContact CD2-CG 4.05Å; F56-M170 HydrophobicContact CE1-CE 4.27Å; F56-M170 HydrophobicContact CE1-CG 4.37Å; F56-M170 HydrophobicContact CE2-CE 4.43Å; F56-M170 HydrophobicContact CE2-CG 3.84Å; F56-M170 HydrophobicContact CE2-SD 4.45Å; F56-M170 HydrophobicContact CG-CG 4.43Å; F56-M170 HydrophobicContact CZ-CE 3.82Å; F56-M170 HydrophobicContact CZ-CG 3.99Å; F56-M170 HydrophobicContact CZ-SD 4.41Å; F56-P171 HydrophobicContact CD1-CG 4.38Å; F56-R202 PolarHBondContact O-NH1 2.89Å
57A97.8Very high97.7Very high43 Ų4337.8 Ų37.836%0.35522%0.221SC..Hα-helixtrans-61.5-32176.600000112.3K53 E54 Q59 W169K53-A57 WeakPolarHBondContact O-CB 3.45Å; K53-A57 PolarHBondContact O-N 3.35Å; E54-A57 PolarHBondContact O-N 3.11Å; A57-Q59 VanDerWaalsContact C-N 3.29Å; A57-Q59 PolarHBondContact O-N 3.29Å; A57-W169 HydrophobicContact CB-CD2 4.05Å; A57-W169 HydrophobicContact CB-CE3 3.47Å; A57-W169 VanDerWaalsContact CB-CE3 3.47Å; A57-W169 HydrophobicContact CB-CH2 4.32Å; A57-W169 HydrophobicContact CB-CZ3 3.63Å
58A97.2Very high97.8Very high91 Ų9136.7 Ų36.775%0.75222%0.218SC*.THydrogen-bonded Turntrans-75.3-11.7175.600000114.4E54 F56E54-A58 PolarHBondContact O-N 2.64Å; F56-A58 PolarHBondContact O-N 3.07Å
59Q96.9Very high97.9Very high36 Ų3636.6 Ų36.617%0.16822%0.217CC..SBendtrans-98.3158.4179.6-68.6-177.3-49.100111.3G55 F56 A57 L63 K121 R202G55-Q59 WeakPolarHBondContact O-CG 3.39Å; F56-Q59 PolarHBondContact O-N 3.46Å; F56-Q59 VanDerWaalsContact O-N 3.07Å; A57-Q59 VanDerWaalsContact C-N 3.29Å; A57-Q59 PolarHBondContact O-N 3.29Å; Q59-L63 HydrophobicContact CB-CD2 3.82Å; Q59-L63 HydrophobicContact CG-CD2 4.29Å; Q59-K121 VanDerWaalsContact CD-NZ 3.25Å; Q59-R202 PolarHBondContact O-NH2 2.82Å
60S97.3Very high97.9Very high47 Ų4736.9 Ų36.933%0.32922%0.219SC..  trans-69.1152.7168.5164.70000111.3L62S60-L62 VanDerWaalsContact CB-O 3.23Å; S60-L62 WeakPolarHBondContact CB-O 3.46Å; S60-L62 PolarHBondContact O-N 2.9Å; S60-L62 PolarHBondContact OG-N 2.76Å; S60-L62 PolarHBondContact OG-O 3.11Å
61S97.9Very high97.9Very high3 Ų333.6 Ų33.62%0.02120%0.199CC..SBendtrans-62.5-24.1171.1-66.20000112.4L172 A173 I197 L200 R202S61-L172 PolarHBondContact O-N 3.32Å; S61-A173 PolarHBondContact O-N 2.83Å; S61-I197 WeakPolarHBondContact CB-O 3.41Å; S61-L200 PolarHBondContact OG-O 2.8Å; S61-R202 PolarHBondContact OG-NE 2.85Å; S61-R202 PolarHBondContact OG-NH2 2.85Å
62L98.8Very high98.1Very high2 Ų232.1 Ų32.11%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-106.5111166.3-17866000109.6S60 A173 L175 W194 I197 R198S60-L62 VanDerWaalsContact CB-O 3.23Å; S60-L62 WeakPolarHBondContact CB-O 3.46Å; S60-L62 PolarHBondContact O-N 2.9Å; S60-L62 PolarHBondContact OG-N 2.76Å; S60-L62 PolarHBondContact OG-O 3.11Å; L62-A173 WeakPolarHBondContact CA-O 3.3Å; L62-A173 HydrophobicContact CD1-CB 3.78Å; L62-L175 HydrophobicContact CD1-CB 4.01Å; L62-L175 HydrophobicContact CD2-CB 4.27Å; L62-L175 HydrophobicContact CD2-CD2 4.44Å; L62-L175 HydrophobicContact CG-CB 4.3Å; L62-W194 HydrophobicContact CD2-CB 3.98Å; L62-I197 HydrophobicContact CB-CB 4.12Å; L62-I197 HydrophobicContact CB-CG2 3.8Å; L62-I197 HydrophobicContact CD1-CD1 4.27Å; L62-I197 HydrophobicContact CD1-CG2 4.18Å; L62-R198 HydrophobicContact CB-CG 3.85Å; L62-R198 HydrophobicContact CD2-CG 4.04Å
63L98.7Very high98.1Very high7 Ų732.1 Ų32.14%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-78.7146.8175.2-59.2179000110.9Q59 P65 F129 L131 P171 A173 A174 L175Q59-L63 HydrophobicContact CB-CD2 3.82Å; Q59-L63 HydrophobicContact CG-CD2 4.29Å; L63-P65 WeakPolarHBondContact O-CD 3.24Å; L63-F129 HydrophobicContact CD1-CB 3.89Å; L63-F129 HydrophobicContact CD1-CD1 4.01Å; L63-F129 HydrophobicContact CD1-CG 4.36Å; L63-L131 HydrophobicContact CD1-CD2 3.67Å; L63-L131 HydrophobicContact CG-CD2 4.22Å; L63-P171 HydrophobicContact CD1-CB 4.02Å; L63-P171 HydrophobicContact CD1-CG 4Å; L63-P171 HydrophobicContact CD2-CB 4.09Å; L63-P171 HydrophobicContact CD2-CG 3.78Å; L63-P171 HydrophobicContact CG-CB 3.74Å; L63-P171 HydrophobicContact CG-CG 3.91Å; L63-A173 PolarHBondContact N-O 2.99Å; L63-A174 HydrophobicContact CB-CB 4Å; L63-A174 CarbonylContact O-C 3.42Å; L63-A174 WeakPolarHBondContact O-CA 3.34Å; L63-L175 PolarHBondContact O-N 3.46Å
64E98.4Very high98.1Very high81 Ų8128.8 Ų28.838%0.37918%0.177SC..  trans-123.657.7177.6-61.8-169.8-144.500112Q66 R198E64-Q66 PolarHBondContact O-NE2 3.47Å; E64-R198 IonicContact OE1-CZ 3.26Å; E64-R198 IonicContact OE1-NE 3.46Å; E64-R198 PolarHBondContact OE1-NE 3.39Å; E64-R198 IonicContact OE1-NH2 3.34Å; E64-R198 PolarHBondContact OE1-NH2 3.3Å
65P98.1Very high98.1Very high3 Ų323.5 Ų23.52%0.01915%0.152CC..PPolyproline II helixtrans-67.3147.9-175.531-35.4000111.4L63 L69 F129 A174 I176L63-P65 WeakPolarHBondContact O-CD 3.24Å; P65-L69 HydrophobicContact CB-CD1 4.18Å; P65-L69 HydrophobicContact CG-CD1 4.14Å; P65-F129 HydrophobicContact CB-CD1 4.34Å; P65-F129 HydrophobicContact CB-CD2 3.65Å; P65-F129 HydrophobicContact CB-CE1 4.1Å; P65-F129 HydrophobicContact CB-CE2 3.39Å; P65-F129 HydrophobicContact CB-CG 4.13Å; P65-F129 HydrophobicContact CB-CZ 3.62Å; P65-F129 HydrophobicContact CG-CD2 4.41Å; P65-A174 HydrophobicContact CG-CB 4.16Å; P65-I176 HydrophobicContact CG-CG1 4.02Å
66Q97.7Very high98.2Very high71 Ų7122.3 Ų22.333%0.33214%0.139SC..PPolyproline II helixtrans-94.3144-179.5-57.6-62-53.400110.9E64 R96 K177E64-Q66 PolarHBondContact O-NE2 3.47Å; Q66-R96 PolarHBondContact O-NH1 3.25Å; Q66-K177 VanDerWaalsContact OE1-CD 3.23Å
67P98Very high98.1Very high12 Ų1222.3 Ų22.38%0.07814%0.14CC..SBendtrans-72.1158.2170.932-36.1000111.9L69 I176 K177 V296 S297 L300P67-L69 HydrophobicContact CB-CD2 4.12Å; P67-I176 HydrophobicContact CG-CG2 4.42Å; P67-K177 HydrophobicContact CG-CG 3.91Å; P67-V296 HydrophobicContact CB-CG1 4.15Å; P67-S297 VanDerWaalsContact CB-O 3.3Å; P67-S297 WeakPolarHBondContact CB-O 3.44Å; P67-L300 HydrophobicContact CB-CD2 4.46Å; P67-L300 HydrophobicContact CG-CD2 3.93Å
68P98Very high98Very high52 Ų5221.4 Ų21.434%0.33813%0.128SC..SBendcis-83.4147.23.735-31.3000112V296 R298P68-V296 WeakPolarHBondContact CA-O 3.18Å; P68-V296 WeakPolarHBondContact CB-O 3.42Å; P68-R298 HydrophobicContact CB-CG 4.36Å; P68-R298 HydrophobicContact CG-CG 4.12Å
69L98.3Very high97.9Very high3 Ų317.1 Ų17.12%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-153.6157.2174.469.8165000111.6P65 P67 R96 L98 I176 V296P65-L69 HydrophobicContact CB-CD1 4.18Å; P65-L69 HydrophobicContact CG-CD1 4.14Å; P67-L69 HydrophobicContact CB-CD2 4.12Å; L69-R96 WeakPolarHBondContact CA-O 3.22Å; L69-R96 HydrophobicContact CB-CB 3.87Å; L69-L98 HydrophobicContact CD1-CB 3.67Å; L69-I176 HydrophobicContact CD1-CD1 4.26Å; L69-I176 HydrophobicContact CD2-CD1 4.05Å; L69-I176 HydrophobicContact CD2-CG1 4.37Å; L69-I176 HydrophobicContact CD2-CG2 4.18Å; L69-V296 HydrophobicContact CD2-CB 4.13Å; L69-V296 PolarHBondContact N-O 3.49Å; L69-V296 VanDerWaalsContact N-O 3.14Å; L69-V296 PolarHBondContact O-N 3.22Å
70N98.6Very high97.6Very high10 Ų1019.1 Ų19.15%0.05310%0.102CC..EExtended strand (participates in β ladder)trans-96.9131.6171.3-65.8-27.7000109.6T95 R96 Y97 L98 M293 V294 R295N70-T95 WeakPolarHBondContact ND2-CG2 3.26Å; N70-R96 PolarHBondContact N-O 3.3Å; N70-Y97 HydrophobicContact CB-CD1 3.69Å; N70-Y97 HydrophobicContact CB-CE1 3.63Å; N70-Y97 HydrophobicContact CB-CG 4.37Å; N70-Y97 PolarHBondContact ND2-OH 2.65Å; N70-Y97 CarbonylContact O-C 3.33Å; N70-Y97 VanDerWaalsContact O-CA 3.25Å; N70-Y97 WeakPolarHBondContact O-CA 3.36Å; N70-L98 PolarHBondContact O-N 2.86Å; N70-M293 HydrophobicContact CB-CE 4.27Å; N70-M293 HydrophobicContact CB-CG 3.96Å; N70-M293 HydrophobicContact CB-SD 3.66Å; N70-V294 CarbonylContact C-O 3.48Å; N70-V294 WeakPolarHBondContact CA-O 3.45Å; N70-R295 WeakPolarHBondContact OD1-CG 3.32Å
71I98.8Very high97.5Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-104.4128.5175.4-50171.1000108.6L98 L100 I176 V256 M293 V294 V296I71-L98 CarbonylContact C-O 3.54Å; I71-L98 VanDerWaalsContact CA-O 3.24Å; I71-L98 WeakPolarHBondContact CA-O 3.49Å; I71-L98 HydrophobicContact CG1-CB 4.36Å; I71-L98 HydrophobicContact CG1-CD2 4.29Å; I71-L98 HydrophobicContact CG2-CD2 4.34Å; I71-L98 HydrophobicContact CG2-CG 4.47Å; I71-L100 HydrophobicContact CG2-CD1 3.62Å; I71-L100 HydrophobicContact CG2-CD2 3.69Å; I71-L100 HydrophobicContact CG2-CG 3.62Å; I71-I176 HydrophobicContact CD1-CD1 3.76Å; I71-I176 HydrophobicContact CG1-CD1 4.46Å; I71-V256 HydrophobicContact CB-CG1 4.33Å; I71-V256 HydrophobicContact CD1-CB 4.17Å; I71-V256 HydrophobicContact CD1-CG1 3.97Å; I71-V256 HydrophobicContact CD1-CG2 4.03Å; I71-V256 HydrophobicContact CG2-CG1 3.82Å; I71-M293 WeakPolarHBondContact O-CA 3.32Å; I71-M293 WeakPolarHBondContact O-CG 3.31Å; I71-V294 HydrophobicContact CB-CB 4.22Å; I71-V294 PolarHBondContact N-O 2.81Å; I71-V294 PolarHBondContact O-N 2.86Å; I71-V296 HydrophobicContact CD1-CG2 3.62Å; I71-V296 HydrophobicContact CG1-CG2 4.2Å
72C98.8Very high97.4Very high0 Ų017.8 Ų17.80%09%0.091CC..EExtended strand (participates in β ladder)trans-121133.8-176.7-57.70000109.9L85 L98 F99 L100C72-L85 HydrophobicContact CB-CD1 4.32Å; C72-L98 PolarHBondContact N-O 3.27Å; C72-F99 HydrophobicContact CB-CD1 3.45Å; C72-F99 VanDerWaalsContact CB-CD1 3.45Å; C72-F99 HydrophobicContact CB-CE1 3.71Å; C72-F99 HydrophobicContact CB-CG 4.17Å; C72-F99 WeakPolarHBondContact O-CA 3.18Å; C72-L100 WeakPolarHBondContact O-CB 3.31Å; C72-L100 WeakPolarHBondContact O-CG 3.44Å; C72-L100 PolarHBondContact O-N 2.86Å
73G98.7Very high97.2Very high0 Ų018 Ų180%09%0.092CC..  trans-85.5-152.117300000111.8V277 S279G73-V277 WeakPolarHBondContact CA-O 3.32Å; G73-S279 PolarHBondContact N-OG 2.82Å
74D98.8Very high96.9Very high2 Ų220.5 Ų20.51%0.01110%0.101CC..  trans-56.8143.1-173.8-53.222.6000112.4H76 D102 H184 A258 H259 F278 S279 A280D74-H76 IonicContact OD2-NE2 3.77Å; D74-D102 HydrophobicContact CB-CB 4.09Å; D74-H184 IonicContact OD1-CE1 3.68Å; D74-A258 WeakPolarHBondContact OD1-CB 3.33Å; D74-H259 PolarHBondContact OD1-N 3.42Å; D74-H259 WeakPolarHBondContact OD2-CA 3.08Å; D74-H259 PolarHBondContact OD2-N 2.8Å; D74-F278 HydrophobicContact CB-CD2 3.85Å; D74-F278 HydrophobicContact CB-CE2 3.47Å; D74-F278 VanDerWaalsContact CB-CE2 3.47Å; D74-F278 HydrophobicContact CB-CZ 3.86Å; D74-F278 VanDerWaalsContact CG-CE2 3.47Å; D74-F278 WeakPolarHBondContact OD2-CE2 3.36Å; D74-S279 CarbonylContact O-C 3.56Å; D74-S279 WeakPolarHBondContact O-CA 3.13Å; D74-S279 WeakPolarHBondContact O-CB 3.48Å; D74-S279 PolarHBondContact O-N 3.42Å; D74-A280 PolarHBondContact O-N 3.04Å; D74-A280 VanDerWaalsContact O-N 3.15Å
75L98.5Very high96.7Very high1 Ų116.9 Ų16.91%0.0058%0.084CC..  trans-122.2-36.3178.3-64.1174.9000112.5G77 Q78 L82 F99 D102 Y103 T113 L117L75-G77 PolarHBondContact O-N 2.86Å; L75-Q78 WeakPolarHBondContact O-CB 3.26Å; L75-Q78 PolarHBondContact O-N 3.44Å; L75-L82 HydrophobicContact CD1-CB 4.43Å; L75-L82 HydrophobicContact CD1-CD1 3.92Å; L75-L82 HydrophobicContact CD1-CD2 4.25Å; L75-L82 HydrophobicContact CD1-CG 4.42Å; L75-L82 HydrophobicContact CD2-CB 4.31Å; L75-L82 HydrophobicContact CD2-CD1 4.42Å; L75-F99 HydrophobicContact CD1-CD1 3.98Å; L75-F99 HydrophobicContact CD1-CE1 4.09Å; L75-D102 PolarHBondContact N-O 2.88Å; L75-Y103 HydrophobicContact CD1-CD1 4.25Å; L75-T113 HydrophobicContact CB-CG2 4.01Å; L75-T113 HydrophobicContact CD1-CG2 3.98Å; L75-L117 HydrophobicContact CD1-CD1 3.85Å
76H98.2Very high96.6Very high4 Ų416.8 Ų16.82%0.0198%0.083CC..THydrogen-bonded Turntrans4554.8172.8-78-56.7000114.3D74 Q78 D102 V104 D105 R106 G107 H135 Y283D74-H76 IonicContact OD2-NE2 3.77Å; H76-Q78 PolarHBondContact O-N 3.25Å; H76-D102 IonicContact CE1-OD2 2.78Å; H76-D102 PolarHBondContact CE1-OD2 2.88Å; H76-D102 VanDerWaalsContact CE1-OD2 3.31Å; H76-D102 PolarHBondContact N-O 3.04Å; H76-D102 IonicContact NE2-OD2 3.55Å; H76-D102 PolarHBondContact NE2-OD2 2.94Å; H76-V104 PolarHBondContact ND1-O 2.8Å; H76-D105 CarbonylContact C-O 3.47Å; H76-D105 VanDerWaalsContact CA-O 3.31Å; H76-D105 WeakPolarHBondContact CA-O 3.31Å; H76-D105 WeakPolarHBondContact CB-O 3.31Å; H76-D105 VanDerWaalsContact O-O 3.06Å; H76-R106 HydrophobicContact CB-CB 4.13Å; H76-R106 HydrophobicContact CB-CG 4.39Å; H76-G107 WeakPolarHBondContact O-CA 3.46Å; H76-G107 PolarHBondContact O-N 2.82Å; H76-H135 AromaticContact CE1-CD2 3.53Å; H76-H135 AromaticContact CE1-CG 3.74Å; H76-H135 AromaticContact CE1-NE2 3.76Å; H76-Y283 HydrophobicContact CB-CE2 3.75Å; H76-Y283 AromaticContact CD2-CE2 3.28Å; H76-Y283 WeakPolarHBondContact CD2-CE2 3.35Å; H76-Y283 AromaticContact CD2-CZ 3.54Å; H76-Y283 PolarHBondContact CD2-OH 2.97Å; H76-Y283 AromaticContact CG-CE2 3.75Å; H76-Y283 AromaticContact NE2-CZ 3.9Å; H76-Y283 PolarHBondContact NE2-OH 3.09Å; H76-Y283 VanDerWaalsContact NE2-OH 3.09Å
77G96.8Very high96.4Very high1 Ų117.8 Ų17.81%0.019%0.091CC..THydrogen-bonded Turntrans63.510.9177.600000115.9L75 F79 Y103 M109 T113L75-G77 PolarHBondContact O-N 2.86Å; G77-F79 PolarHBondContact O-N 3.01Å; G77-Y103 PolarHBondContact N-O 3.26Å; G77-M109 CarbonylContact O-C 3.47Å; G77-M109 WeakPolarHBondContact O-CA 3.19Å; G77-M109 WeakPolarHBondContact O-CB 3.47Å; G77-M109 PolarHBondContact O-N 2.79Å; G77-M109 VanDerWaalsContact O-N 3.16Å; G77-T113 WeakPolarHBondContact CA-OG1 3.21Å
78Q95.2Very high96.1Very high23 Ų2323.5 Ų23.511%0.10711%0.112CC..  trans-80.664.1172.5-69-174.5-128.200111L75 H76 H80 D81 L82 P281L75-Q78 WeakPolarHBondContact O-CB 3.26Å; L75-Q78 PolarHBondContact O-N 3.44Å; H76-Q78 PolarHBondContact O-N 3.25Å; Q78-H80 VanDerWaalsContact C-N 3.29Å; Q78-H80 PolarHBondContact O-N 2.88Å; Q78-H80 VanDerWaalsContact O-N 3.16Å; Q78-D81 HydrophobicContact CB-CB 4.19Å; Q78-D81 PolarHBondContact NE2-OD2 2.94Å; Q78-D81 WeakPolarHBondContact O-CB 3.43Å; Q78-D81 PolarHBondContact O-N 3.12Å; Q78-L82 PolarHBondContact O-N 2.97Å; Q78-L82 VanDerWaalsContact O-N 3.12Å; Q78-P281 PolarHBondContact NE2-O 3.44Å
79F94.6Very high95.9Very high1 Ų121.5 Ų21.50%0.00410%0.101CC..Hα-helixtrans-53-40.8-173178.4-117.3000114.1L28 G77 D81 L82 L83 M109 E112 T113 L116L28-F79 HydrophobicContact CB-CZ 4.14Å; L28-F79 HydrophobicContact CD2-CZ 4.24Å; G77-F79 PolarHBondContact O-N 3.01Å; F79-D81 VanDerWaalsContact C-N 3.29Å; F79-D81 PolarHBondContact O-N 3.15Å; F79-L82 WeakPolarHBondContact O-CB 3.46Å; F79-L82 PolarHBondContact O-N 3.11Å; F79-L83 HydrophobicContact CD1-CD1 3.86Å; F79-L83 HydrophobicContact CE1-CD1 3.44Å; F79-L83 VanDerWaalsContact CE1-CD1 3.44Å; F79-L83 HydrophobicContact CE1-CG 4.2Å; F79-L83 HydrophobicContact CE2-CD1 4.33Å; F79-L83 HydrophobicContact CE2-CD2 4.28Å; F79-L83 HydrophobicContact CE2-CG 4.22Å; F79-L83 HydrophobicContact CG-CD1 4.47Å; F79-L83 HydrophobicContact CZ-CD1 3.7Å; F79-L83 HydrophobicContact CZ-CD2 4.04Å; F79-L83 HydrophobicContact CZ-CG 4.02Å; F79-L83 WeakPolarHBondContact O-CG 3.27Å; F79-L83 PolarHBondContact O-N 3.12Å; F79-M109 HydrophobicContact CB-CB 3.63Å; F79-M109 HydrophobicContact CB-CE 4.29Å; F79-M109 HydrophobicContact CB-CG 4.45Å; F79-M109 HydrophobicContact CB-SD 4.1Å; F79-M109 HydrophobicContact CD1-CE 3.61Å; F79-M109 HydrophobicContact CD1-SD 4.26Å; F79-M109 HydrophobicContact CE1-CE 4.35Å; F79-M109 HydrophobicContact CG-CE 4.26Å; F79-E112 HydrophobicContact CB-CB 4.22Å; F79-E112 HydrophobicContact CD1-CB 3.95Å; F79-E112 HydrophobicContact CD2-CB 3.65Å; F79-E112 HydrophobicContact CE1-CB 4.18Å; F79-E112 HydrophobicContact CE2-CB 3.9Å; F79-E112 HydrophobicContact CG-CB 3.67Å; F79-E112 HydrophobicContact CZ-CB 4.16Å; F79-T113 WeakPolarHBondContact CA-OG1 3.04Å; F79-T113 PolarHBondContact N-OG1 3.25Å; F79-L116 HydrophobicContact CE2-CB 4.05Å; F79-L116 HydrophobicContact CE2-CD2 3.66Å; F79-L116 HydrophobicContact CE2-CG 4.45Å; F79-L116 HydrophobicContact CZ-CD2 4.32Å
80H92.5Very high95.8Very high79 Ų7922.5 Ų22.537%0.36611%0.111SC..Hα-helixtrans-66.5-31.9178.8-65.7-56.9000112.8R32 Q78 L83 R84R32-H80 PolarHBondContact O-CE1 3.3Å; Q78-H80 VanDerWaalsContact C-N 3.29Å; Q78-H80 PolarHBondContact O-N 2.88Å; Q78-H80 VanDerWaalsContact O-N 3.16Å; H80-L83 PolarHBondContact O-N 3.31Å; H80-R84 VanDerWaalsContact O-CG 3.31Å; H80-R84 WeakPolarHBondContact O-CG 3.38Å; H80-R84 PolarHBondContact O-N 3.18Å
81D93.8Very high95.6Very high22 Ų2225 Ų2512%0.11812%0.121CC..Hα-helixtrans-73.8-36.5175.1-65.5-54.6000111.5Q78 F79 L83 R84 L85 P281Q78-D81 HydrophobicContact CB-CB 4.19Å; Q78-D81 PolarHBondContact NE2-OD2 2.94Å; Q78-D81 WeakPolarHBondContact O-CB 3.43Å; Q78-D81 PolarHBondContact O-N 3.12Å; F79-D81 VanDerWaalsContact C-N 3.29Å; F79-D81 PolarHBondContact O-N 3.15Å; D81-L83 VanDerWaalsContact C-N 3.29Å; D81-L83 PolarHBondContact O-N 2.88Å; D81-R84 WeakPolarHBondContact O-CB 3.24Å; D81-R84 PolarHBondContact O-N 3.07Å; D81-R84 IonicContact OD1-CZ 2.74Å; D81-R84 IonicContact OD1-NH1 3.98Å; D81-R84 PolarHBondContact OD1-NH1 3.43Å; D81-L85 WeakPolarHBondContact O-CB 2.98Å; D81-L85 PolarHBondContact O-N 3.18Å; D81-P281 HydrophobicContact CB-CG 4.16Å; D81-P281 WeakPolarHBondContact OD1-CG 3.49Å
82L95.8Very high95.5Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-55.5-45.6167.7170.959.8000111.2L75 Q78 F79 R84 L85 L86 F99 T113 L116 L117L75-L82 HydrophobicContact CD1-CB 4.43Å; L75-L82 HydrophobicContact CD1-CD1 3.92Å; L75-L82 HydrophobicContact CD1-CD2 4.25Å; L75-L82 HydrophobicContact CD1-CG 4.42Å; L75-L82 HydrophobicContact CD2-CB 4.31Å; L75-L82 HydrophobicContact CD2-CD1 4.42Å; Q78-L82 PolarHBondContact O-N 2.97Å; Q78-L82 VanDerWaalsContact O-N 3.12Å; F79-L82 WeakPolarHBondContact O-CB 3.46Å; F79-L82 PolarHBondContact O-N 3.11Å; L82-R84 PolarHBondContact O-N 3.41Å; L82-L85 WeakPolarHBondContact O-CB 3.08Å; L82-L85 PolarHBondContact O-N 3.47Å; L82-L86 HydrophobicContact CD1-CD1 4.26Å; L82-L86 HydrophobicContact CD1-CG 4.18Å; L82-L86 HydrophobicContact CG-CD1 4.39Å; L82-L86 WeakPolarHBondContact O-CG 3.14Å; L82-L86 PolarHBondContact O-N 3.13Å; L82-F99 HydrophobicContact CD1-CE1 3.79Å; L82-F99 HydrophobicContact CD1-CZ 4.1Å; L82-T113 HydrophobicContact CD2-CG2 4.03Å; L82-L116 HydrophobicContact CD2-CB 4.48Å; L82-L116 HydrophobicContact CD2-CD2 3.99Å; L82-L116 HydrophobicContact CG-CD2 4.42Å; L82-L117 HydrophobicContact CD1-CD2 4.17Å; L82-L117 HydrophobicContact CD2-CD2 4.06Å; L82-L117 HydrophobicContact CD2-CG 4.12Å
83L94.1Very high95.3Very high6 Ų628.5 Ų28.53%0.03114%0.143CC..Hα-helixtrans-65.7-38178.2-66.4169.4000112.8L29 R32 F79 H80 D81 L86 N87 L116L29-L83 HydrophobicContact CD2-CD2 3.76Å; R32-L83 HydrophobicContact CG-CD1 3.49Å; R32-L83 VanDerWaalsContact CG-CD1 3.49Å; F79-L83 HydrophobicContact CD1-CD1 3.86Å; F79-L83 HydrophobicContact CE1-CD1 3.44Å; F79-L83 VanDerWaalsContact CE1-CD1 3.44Å; F79-L83 HydrophobicContact CE1-CG 4.2Å; F79-L83 HydrophobicContact CE2-CD1 4.33Å; F79-L83 HydrophobicContact CE2-CD2 4.28Å; F79-L83 HydrophobicContact CE2-CG 4.22Å; F79-L83 HydrophobicContact CG-CD1 4.47Å; F79-L83 HydrophobicContact CZ-CD1 3.7Å; F79-L83 HydrophobicContact CZ-CD2 4.04Å; F79-L83 HydrophobicContact CZ-CG 4.02Å; F79-L83 WeakPolarHBondContact O-CG 3.27Å; F79-L83 PolarHBondContact O-N 3.12Å; H80-L83 PolarHBondContact O-N 3.31Å; D81-L83 VanDerWaalsContact C-N 3.29Å; D81-L83 PolarHBondContact O-N 2.88Å; L83-L86 PolarHBondContact O-N 3.4Å; L83-N87 WeakPolarHBondContact O-CB 3.4Å; L83-N87 VanDerWaalsContact O-CG 3.25Å; L83-N87 PolarHBondContact O-N 3.3Å; L83-N87 PolarHBondContact O-ND2 2.78Å; L83-L116 HydrophobicContact CD2-CD2 3.78Å
84R93Very high95.2Very high60 Ų6037.9 Ų37.923%0.22618%0.184CC..Hα-helixtrans-62.3-45.9172.8-71.4170.868.1-144.30.4110.4H80 D81 L82 L86 N87 Y88 R308 P310H80-R84 VanDerWaalsContact O-CG 3.31Å; H80-R84 WeakPolarHBondContact O-CG 3.38Å; H80-R84 PolarHBondContact O-N 3.18Å; D81-R84 WeakPolarHBondContact O-CB 3.24Å; D81-R84 PolarHBondContact O-N 3.07Å; D81-R84 IonicContact OD1-CZ 2.74Å; D81-R84 IonicContact OD1-NH1 3.98Å; D81-R84 PolarHBondContact OD1-NH1 3.43Å; L82-R84 PolarHBondContact O-N 3.41Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 3.45Å; R84-N87 WeakPolarHBondContact O-CB 3.47Å; R84-N87 PolarHBondContact O-N 3.02Å; R84-N87 VanDerWaalsContact O-N 3.16Å; R84-Y88 WeakPolarHBondContact O-CD2 3.37Å; R84-Y88 PolarHBondContact O-N 3.27Å; R84-R308 PolarHBondContact NH2-O 3.15Å; R84-P310 VanDerWaalsContact NH1-CD 3.33Å
85L95.3Very high95.1Very high4 Ų439.3 Ų39.32%0.02119%0.193CC..Hα-helixtrans-56.9-46.5176.7-177156000111.2C72 D81 L82 Y88 G89 Y97 M293C72-L85 HydrophobicContact CB-CD1 4.32Å; D81-L85 WeakPolarHBondContact O-CB 2.98Å; D81-L85 PolarHBondContact O-N 3.18Å; L82-L85 WeakPolarHBondContact O-CB 3.08Å; L82-L85 PolarHBondContact O-N 3.47Å; L85-Y88 PolarHBondContact O-N 3.14Å; L85-G89 PolarHBondContact O-N 2.95Å; L85-Y97 HydrophobicContact CD2-CD1 4.47Å; L85-Y97 HydrophobicContact CD2-CE1 3.7Å; L85-M293 HydrophobicContact CD1-CB 4.49Å; L85-M293 HydrophobicContact CD1-SD 4.42Å; L85-M293 HydrophobicContact CD2-SD 3.69Å; L85-M293 HydrophobicContact CG-SD 3.92Å
86L95.8Very high95.1Very high2 Ų242 Ų421%0.0120%0.203CC..Hα-helixtrans-65.8-37.5176.1-67.2176.8000112.8L82 L83 R84 Y88 G90 Y91 Y97 L116 Y120L82-L86 HydrophobicContact CD1-CD1 4.26Å; L82-L86 HydrophobicContact CD1-CG 4.18Å; L82-L86 HydrophobicContact CG-CD1 4.39Å; L82-L86 WeakPolarHBondContact O-CG 3.14Å; L82-L86 PolarHBondContact O-N 3.13Å; L83-L86 PolarHBondContact O-N 3.4Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 3.45Å; L86-Y88 VanDerWaalsContact C-N 3.27Å; L86-Y88 PolarHBondContact O-N 2.9Å; L86-G90 CarbonylContact O-C 3.44Å; L86-G90 WeakPolarHBondContact O-CA 3.29Å; L86-G90 PolarHBondContact O-N 3.14Å; L86-Y91 HydrophobicContact CB-CD1 4.05Å; L86-Y91 HydrophobicContact CB-CE1 3.64Å; L86-Y91 HydrophobicContact CD1-CD1 4.29Å; L86-Y91 HydrophobicContact CD1-CE1 4Å; L86-Y91 HydrophobicContact CG-CE1 4.45Å; L86-Y97 HydrophobicContact CD2-CE1 4.1Å; L86-Y97 HydrophobicContact CD2-CE2 3.97Å; L86-L116 HydrophobicContact CD1-CD2 4.08Å; L86-Y120 HydrophobicContact CD1-CE2 3.93Å
87N93.2Very high95.1Very high92 Ų9241.8 Ų41.849%0.49220%0.202SC..Hα-helixtrans-61.3-35.7173.4-75.5-33.2000112.2L83 R84 Y91L83-N87 WeakPolarHBondContact O-CB 3.4Å; L83-N87 VanDerWaalsContact O-CG 3.25Å; L83-N87 PolarHBondContact O-N 3.3Å; L83-N87 PolarHBondContact O-ND2 2.78Å; R84-N87 WeakPolarHBondContact O-CB 3.47Å; R84-N87 PolarHBondContact O-N 3.02Å; R84-N87 VanDerWaalsContact O-N 3.16Å; N87-Y91 WeakPolarHBondContact OD1-CE2 3.42Å; N87-Y91 PolarHBondContact OD1-OH 3.45Å
88Y91.5Very high95.2Very high131 Ų13141.8 Ų41.851%0.51420%0.202SC..Hα-helixtrans-83.3-36.3178.8-77.6-67.5000114.3R84 L85 L86 R295 F307R84-Y88 WeakPolarHBondContact O-CD2 3.37Å; R84-Y88 PolarHBondContact O-N 3.27Å; L85-Y88 PolarHBondContact O-N 3.14Å; L86-Y88 VanDerWaalsContact C-N 3.27Å; L86-Y88 PolarHBondContact O-N 2.9Å; Y88-R295 PolarHBondContact O-NH2 2.96Å; Y88-R295 VanDerWaalsContact O-NH2 3.17Å; Y88-F307 VanDerWaalsContact CB-CE1 3.47Å; Y88-F307 HydrophobicContact CD1-CE1 4.39Å; Y88-F307 AromaticContact CD2-CD1 3.52Å; Y88-F307 HydrophobicContact CD2-CD1 3.52Å; Y88-F307 AromaticContact CD2-CE1 3.54Å; Y88-F307 HydrophobicContact CD2-CE1 3.54Å; Y88-F307 AromaticContact CE2-CD1 3.95Å; Y88-F307 HydrophobicContact CE2-CD1 3.95Å; Y88-F307 HydrophobicContact CE2-CE1 4.38Å; Y88-F307 AromaticContact CG-CD1 3.98Å; Y88-F307 HydrophobicContact CG-CD1 3.98Å; Y88-F307 AromaticContact CG-CE1 3.57Å; Y88-F307 HydrophobicContact CG-CE1 3.57Å
89G94Very high95.4Very high11 Ų1140.9 Ų40.911%0.11320%0.198CC..Hα-helixtrans-85.7-19.3-179.400000114L85 T95 Y97L85-G89 PolarHBondContact O-N 2.95Å; G89-T95 WeakPolarHBondContact O-CG2 3.01Å; G89-T95 PolarHBondContact O-OG1 3.17Å; G89-Y97 VanDerWaalsContact C-OH 3.28Å; G89-Y97 VanDerWaalsContact CA-OH 3.24Å; G89-Y97 WeakPolarHBondContact CA-OH 3.29Å
90G95.7Very high95.6Very high23 Ų2340.8 Ų40.824%0.23720%0.197CC..  trans92.3152.3-172.200000111.7L86 Y97L86-G90 CarbonylContact O-C 3.44Å; L86-G90 WeakPolarHBondContact O-CA 3.29Å; L86-G90 PolarHBondContact O-N 3.14Å; G90-Y97 VanDerWaalsContact O-CE2 3.25Å; G90-Y97 WeakPolarHBondContact O-CE2 3.07Å; G90-Y97 PolarHBondContact O-OH 3.23Å
91Y95.4Very high95.9Very high63 Ų6337 Ų3725%0.24718%0.18CC..  trans-87.4144.5-176.4-71.7-89.5000112.3R32 L86 N87 K94 T95 Y120R32-Y91 PolarHBondContact NH2-OH 2.84Å; L86-Y91 HydrophobicContact CB-CD1 4.05Å; L86-Y91 HydrophobicContact CB-CE1 3.64Å; L86-Y91 HydrophobicContact CD1-CD1 4.29Å; L86-Y91 HydrophobicContact CD1-CE1 4Å; L86-Y91 HydrophobicContact CG-CE1 4.45Å; N87-Y91 WeakPolarHBondContact OD1-CE2 3.42Å; N87-Y91 PolarHBondContact OD1-OH 3.45Å; Y91-K94 WeakPolarHBondContact O-CB 3.38Å; Y91-K94 PolarHBondContact O-N 3.02Å; Y91-K94 VanDerWaalsContact O-N 3.08Å; Y91-T95 PolarHBondContact O-N 3.46Å; Y91-Y120 VanDerWaalsContact CD1-OH 3.26Å; Y91-Y120 WeakPolarHBondContact CD1-OH 3.19Å
92P96Very high96.2Very high10 Ų1036.1 Ų36.17%0.06518%0.175CC..THydrogen-bonded Turntrans-56146.1166.2-24.334000112.3T95 Y97 Y120 Y124 V128P92-T95 WeakPolarHBondContact CA-O 3.17Å; P92-Y97 HydrophobicContact CG-CD2 3.98Å; P92-Y97 HydrophobicContact CG-CE2 4.27Å; P92-Y120 HydrophobicContact CB-CD1 3.85Å; P92-Y120 HydrophobicContact CB-CE1 4.13Å; P92-Y120 HydrophobicContact CG-CD1 3.84Å; P92-Y120 HydrophobicContact CG-CE1 4.08Å; P92-Y120 HydrophobicContact CG-CG 4.25Å; P92-Y124 HydrophobicContact CB-CD2 3.68Å; P92-Y124 HydrophobicContact CB-CE2 4.13Å; P92-Y124 HydrophobicContact CB-CG 4.36Å; P92-V128 HydrophobicContact CB-CG2 3.74Å; P92-V128 HydrophobicContact CG-CG2 3.5Å
93P95.5Very high96.3Very high64 Ų6436.2 Ų36.242%0.41618%0.175SC..THydrogen-bonded Turncis-87.70.82.135.3-32.2000113.3T95 Y124 E127P93-T95 PolarHBondContact O-N 2.81Å; P93-Y124 HydrophobicContact CB-CD1 3.7Å; P93-Y124 HydrophobicContact CB-CE1 3.85Å; P93-Y124 HydrophobicContact CB-CG 4.17Å; P93-Y124 HydrophobicContact CG-CD1 4.05Å; P93-Y124 HydrophobicContact CG-CE1 3.65Å; P93-E127 HydrophobicContact CB-CG 4.09Å
94K95.6Very high96.5Very high196 Ų19635.9 Ų35.985%0.85217%0.174SC*.THydrogen-bonded Turntrans-61.2-28.4-178.7-61.7-177178.6-178.10112.3Y91Y91-K94 WeakPolarHBondContact O-CB 3.38Å; Y91-K94 PolarHBondContact O-N 3.02Å; Y91-K94 VanDerWaalsContact O-N 3.08Å
95T96.8Very high96.8Very high33 Ų3333 Ų3320%0.20216%0.163CC..SBendtrans-128.4141.2173.7-510000110.2N70 G89 Y91 P92 P93 Y97N70-T95 WeakPolarHBondContact ND2-CG2 3.26Å; G89-T95 WeakPolarHBondContact O-CG2 3.01Å; G89-T95 PolarHBondContact O-OG1 3.17Å; Y91-T95 PolarHBondContact O-N 3.46Å; P92-T95 WeakPolarHBondContact CA-O 3.17Å; P93-T95 PolarHBondContact O-N 2.81Å; T95-Y97 HydrophobicContact CG2-CD2 4.41Å; T95-Y97 HydrophobicContact CG2-CE2 3.79Å
96R98.5Very high96.8Very high57 Ų5738.2 Ų38.222%0.21518%0.182CC..  trans-96.6148.2178.5-56.8178.172.6-175.89111.1Q66 L69 N70 D126 E127Q66-R96 PolarHBondContact O-NH1 3.25Å; L69-R96 WeakPolarHBondContact CA-O 3.22Å; L69-R96 HydrophobicContact CB-CB 3.87Å; N70-R96 PolarHBondContact N-O 3.3Å; R96-D126 PolarHBondContact NE-O 2.96Å; R96-D126 PolarHBondContact NH2-O 3.4Å; R96-E127 CarbonylContact C-O 3.54Å; R96-E127 WeakPolarHBondContact CA-O 3.45Å; R96-E127 WeakPolarHBondContact CB-O 3.36Å; R96-E127 HydrophobicContact CG-CB 3.96Å; R96-E127 HydrophobicContact CG-CG 4.03Å
97Y98.8Very high96.7Very high0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-136.2141.2-175-75-92.9000112.4N70 L85 L86 G89 G90 P92 T95 F99 E127 V128 F129 M293N70-Y97 HydrophobicContact CB-CD1 3.69Å; N70-Y97 HydrophobicContact CB-CE1 3.63Å; N70-Y97 HydrophobicContact CB-CG 4.37Å; N70-Y97 PolarHBondContact ND2-OH 2.65Å; N70-Y97 CarbonylContact O-C 3.33Å; N70-Y97 VanDerWaalsContact O-CA 3.25Å; N70-Y97 WeakPolarHBondContact O-CA 3.36Å; L85-Y97 HydrophobicContact CD2-CD1 4.47Å; L85-Y97 HydrophobicContact CD2-CE1 3.7Å; L86-Y97 HydrophobicContact CD2-CE1 4.1Å; L86-Y97 HydrophobicContact CD2-CE2 3.97Å; G89-Y97 VanDerWaalsContact C-OH 3.28Å; G89-Y97 VanDerWaalsContact CA-OH 3.24Å; G89-Y97 WeakPolarHBondContact CA-OH 3.29Å; G90-Y97 VanDerWaalsContact O-CE2 3.25Å; G90-Y97 WeakPolarHBondContact O-CE2 3.07Å; G90-Y97 PolarHBondContact O-OH 3.23Å; P92-Y97 HydrophobicContact CG-CD2 3.98Å; P92-Y97 HydrophobicContact CG-CE2 4.27Å; T95-Y97 HydrophobicContact CG2-CD2 4.41Å; T95-Y97 HydrophobicContact CG2-CE2 3.79Å; Y97-F99 VanDerWaalsContact CB-CE2 3.44Å; Y97-F99 HydrophobicContact CD1-CE2 4.06Å; Y97-F99 AromaticContact CD1-CZ 3.89Å; Y97-F99 HydrophobicContact CD1-CZ 3.89Å; Y97-F99 AromaticContact CG-CE2 3.95Å; Y97-F99 HydrophobicContact CG-CE2 3.95Å; Y97-F99 HydrophobicContact CG-CZ 4.18Å; Y97-E127 PolarHBondContact N-O 2.94Å; Y97-V128 WeakPolarHBondContact O-CA 3.41Å; Y97-F129 WeakPolarHBondContact O-CD2 3.34Å; Y97-F129 PolarHBondContact O-N 2.71Å; Y97-M293 HydrophobicContact CE1-SD 3.9Å
98L98.9Very high96.6Very high0 Ų038.1 Ų38.10%019%0.189CC..EExtended strand (participates in β ladder)trans-120.5116.1163.717367.4000107.5L69 N70 I71 C72 L100 F129 L131 A174 I176 C182L69-L98 HydrophobicContact CD1-CB 3.67Å; N70-L98 PolarHBondContact O-N 2.86Å; I71-L98 CarbonylContact C-O 3.54Å; I71-L98 VanDerWaalsContact CA-O 3.24Å; I71-L98 WeakPolarHBondContact CA-O 3.49Å; I71-L98 HydrophobicContact CG1-CB 4.36Å; I71-L98 HydrophobicContact CG1-CD2 4.29Å; I71-L98 HydrophobicContact CG2-CD2 4.34Å; I71-L98 HydrophobicContact CG2-CG 4.47Å; C72-L98 PolarHBondContact N-O 3.27Å; L98-L100 HydrophobicContact CD2-CD2 4.06Å; L98-L100 HydrophobicContact CG-CD2 4.05Å; L98-F129 CarbonylContact C-O 3.59Å; L98-F129 WeakPolarHBondContact CA-O 3.35Å; L98-F129 HydrophobicContact CB-CB 4.49Å; L98-F129 HydrophobicContact CD1-CB 3.61Å; L98-L131 HydrophobicContact CD1-CD1 4.06Å; L98-L131 HydrophobicContact CD1-CD2 4.22Å; L98-L131 HydrophobicContact CD1-CG 3.78Å; L98-A174 HydrophobicContact CD1-CB 3.98Å; L98-A174 HydrophobicContact CD2-CB 3.74Å; L98-I176 HydrophobicContact CD2-CD1 4.39Å; L98-C182 HydrophobicContact CD2-CB 3.72Å
99F98.9Very high96.8Very high4 Ų432.2 Ų32.22%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-99.6138173.2-61.1-100.4000110.1C72 L75 L82 Y97 Y103 L117 V128 F129 L130 L131C72-F99 HydrophobicContact CB-CD1 3.45Å; C72-F99 VanDerWaalsContact CB-CD1 3.45Å; C72-F99 HydrophobicContact CB-CE1 3.71Å; C72-F99 HydrophobicContact CB-CG 4.17Å; C72-F99 WeakPolarHBondContact O-CA 3.18Å; L75-F99 HydrophobicContact CD1-CD1 3.98Å; L75-F99 HydrophobicContact CD1-CE1 4.09Å; L82-F99 HydrophobicContact CD1-CE1 3.79Å; L82-F99 HydrophobicContact CD1-CZ 4.1Å; Y97-F99 VanDerWaalsContact CB-CE2 3.44Å; Y97-F99 HydrophobicContact CD1-CE2 4.06Å; Y97-F99 AromaticContact CD1-CZ 3.89Å; Y97-F99 HydrophobicContact CD1-CZ 3.89Å; Y97-F99 AromaticContact CG-CE2 3.95Å; Y97-F99 HydrophobicContact CG-CE2 3.95Å; Y97-F99 HydrophobicContact CG-CZ 4.18Å; F99-Y103 HydrophobicContact CB-CE1 3.62Å; F99-Y103 HydrophobicContact CG-CE1 4.45Å; F99-Y103 PolarHBondContact O-OH 2.87Å; F99-L117 HydrophobicContact CD1-CD2 4.07Å; F99-L117 HydrophobicContact CD2-CD2 4.01Å; F99-L117 HydrophobicContact CE1-CD2 3.73Å; F99-L117 HydrophobicContact CE2-CD2 3.62Å; F99-L117 HydrophobicContact CG-CD2 4.22Å; F99-L117 HydrophobicContact CZ-CD2 3.48Å; F99-L117 VanDerWaalsContact CZ-CD2 3.48Å; F99-V128 HydrophobicContact CD2-CG1 4.44Å; F99-V128 HydrophobicContact CE2-CG1 4.2Å; F99-F129 PolarHBondContact N-O 3.24Å; F99-L130 HydrophobicContact CB-CD2 3.78Å; F99-L130 HydrophobicContact CD2-CD2 3.48Å; F99-L130 VanDerWaalsContact CD2-CD2 3.48Å; F99-L130 HydrophobicContact CE2-CD2 4.34Å; F99-L130 HydrophobicContact CG-CD2 3.87Å; F99-L131 WeakPolarHBondContact O-CB 3.45Å; F99-L131 PolarHBondContact O-N 3.21Å
100L98.9Very high97Very high0 Ų031.7 Ų31.70%016%0.161CC..  trans-96.817.9-168.3-59.4-177.2000114.1I71 C72 L98 L131 C182 H184 V256 A258 V277I71-L100 HydrophobicContact CG2-CD1 3.62Å; I71-L100 HydrophobicContact CG2-CD2 3.69Å; I71-L100 HydrophobicContact CG2-CG 3.62Å; C72-L100 WeakPolarHBondContact O-CB 3.31Å; C72-L100 WeakPolarHBondContact O-CG 3.44Å; C72-L100 PolarHBondContact O-N 2.86Å; L98-L100 HydrophobicContact CD2-CD2 4.06Å; L98-L100 HydrophobicContact CG-CD2 4.05Å; L100-L131 HydrophobicContact CD2-CD1 3.77Å; L100-C182 HydrophobicContact CD2-CB 3.82Å; L100-H184 WeakPolarHBondContact O-CA 3.23Å; L100-H184 WeakPolarHBondContact O-CB 3.38Å; L100-H184 VanDerWaalsContact O-CG 3.25Å; L100-H184 PolarHBondContact O-ND1 2.91Å; L100-V256 HydrophobicContact CD1-CG1 4.19Å; L100-A258 HydrophobicContact CB-CB 3.78Å; L100-A258 HydrophobicContact CD1-CB 4.02Å; L100-V277 HydrophobicContact CD1-CG1 3.95Å
101G98.7Very high97Very high0 Ų030.6 Ų30.60%015%0.149CC..SBendtrans98.1-177.8-177.700000114.9Y103 L131 G133G101-Y103 VanDerWaalsContact CA-CZ 3.47Å; G101-Y103 PolarHBondContact N-OH 3.34Å; G101-Y103 VanDerWaalsContact N-OH 3.11Å; G101-L131 WeakPolarHBondContact CA-O 3.27Å; G101-L131 PolarHBondContact N-O 3.33Å; G101-G133 VanDerWaalsContact CA-N 3.33Å
102D98.8Very high97Very high2 Ų227.6 Ų27.61%0.01114%0.138CC..  trans56.661.7-179-78.113.7000112.8D74 L75 H76 G133 N134 H135 E136 H184D74-D102 HydrophobicContact CB-CB 4.09Å; L75-D102 PolarHBondContact N-O 2.88Å; H76-D102 IonicContact CE1-OD2 2.78Å; H76-D102 PolarHBondContact CE1-OD2 2.88Å; H76-D102 VanDerWaalsContact CE1-OD2 3.31Å; H76-D102 PolarHBondContact N-O 3.04Å; H76-D102 IonicContact NE2-OD2 3.55Å; H76-D102 PolarHBondContact NE2-OD2 2.94Å; D102-G133 WeakPolarHBondContact OD1-CA 3.38Å; D102-N134 PolarHBondContact OD1-N 2.85Å; D102-N134 VanDerWaalsContact OD1-N 3.13Å; D102-N134 PolarHBondContact OD1-OD1 3.48Å; D102-N134 PolarHBondContact OD2-OD1 2.57Å; D102-H135 VanDerWaalsContact OD1-CB 3.3Å; D102-H135 WeakPolarHBondContact OD1-CB 3.16Å; D102-H135 IonicContact OD1-CD2 3.72Å; D102-H135 IonicContact OD1-CG 2.72Å; D102-H135 PolarHBondContact OD1-N 3.29Å; D102-H135 IonicContact OD2-CD2 3.27Å; D102-H135 PolarHBondContact OD2-CD2 3.43Å; D102-H135 IonicContact OD2-CG 3.11Å; D102-E136 PolarHBondContact N-OE2 2.78Å; D102-H184 VanDerWaalsContact CB-CE1 3.49Å; D102-H184 WeakPolarHBondContact CB-CE1 3.4Å; D102-H184 IonicContact OD1-CE1 2.92Å; D102-H184 PolarHBondContact OD1-CE1 2.79Å; D102-H184 IonicContact OD1-NE2 2.7Å; D102-H184 PolarHBondContact OD1-NE2 2.95Å; D102-H184 VanDerWaalsContact OD1-NE2 3.14Å; D102-H184 IonicContact OD2-CE1 3.34Å; D102-H184 PolarHBondContact OD2-CE1 3.22Å; D102-H184 VanDerWaalsContact OD2-CE1 3.26Å; D102-H184 IonicContact OD2-NE2 3.66Å; D102-H184 PolarHBondContact OD2-NE2 2.67Å
103Y98.8Very high97.1Very high2 Ų227.1 Ų27.11%0.00813%0.134CC..  trans-85.1-32.1178.9-48.2-52.7000112.2L75 G77 F99 G101 T113 L117 L131 E136 M170L75-Y103 HydrophobicContact CD1-CD1 4.25Å; G77-Y103 PolarHBondContact N-O 3.26Å; F99-Y103 HydrophobicContact CB-CE1 3.62Å; F99-Y103 HydrophobicContact CG-CE1 4.45Å; F99-Y103 PolarHBondContact O-OH 2.87Å; G101-Y103 VanDerWaalsContact CA-CZ 3.47Å; G101-Y103 PolarHBondContact N-OH 3.34Å; G101-Y103 VanDerWaalsContact N-OH 3.11Å; Y103-T113 WeakPolarHBondContact O-CG2 3.39Å; Y103-L117 HydrophobicContact CD1-CD1 3.36Å; Y103-L117 HydrophobicContact CE1-CD1 3.82Å; Y103-L117 HydrophobicContact CG-CD1 3.82Å; Y103-L131 WeakPolarHBondContact CE2-O 3.41Å; Y103-L131 VanDerWaalsContact CZ-O 3.3Å; Y103-L131 PolarHBondContact OH-N 2.99Å; Y103-L131 PolarHBondContact OH-O 2.86Å; Y103-E136 VanDerWaalsContact CD2-CD 3.46Å; Y103-E136 HydrophobicContact CD2-CG 3.97Å; Y103-E136 WeakPolarHBondContact CD2-OE1 3.06Å; Y103-E136 HydrophobicContact CE2-CG 4.36Å; Y103-E136 PolarHBondContact N-OE1 2.86Å; Y103-M170 HydrophobicContact CD2-CE 4.47Å; Y103-M170 HydrophobicContact CE2-CE 3.54Å; Y103-M170 HydrophobicContact CE2-SD 4.34Å
104V98.7Very high97.2Very high0 Ų024.2 Ų24.20%012%0.115CC..SBendtrans-108.5179.3-172.2-56.50000111.7H76 V114 H135 N141 F146 F167H76-V104 PolarHBondContact ND1-O 2.8Å; V104-V114 HydrophobicContact CG1-CB 4.1Å; V104-V114 HydrophobicContact CG1-CG1 4.43Å; V104-H135 HydrophobicContact CG2-CB 4.39Å; V104-H135 WeakPolarHBondContact CG2-O 3.43Å; V104-N141 HydrophobicContact CG2-CB 4.19Å; V104-F146 HydrophobicContact CB-CB 4Å; V104-F146 HydrophobicContact CB-CD1 4.05Å; V104-F146 HydrophobicContact CB-CD2 3.99Å; V104-F146 HydrophobicContact CB-CE2 4.46Å; V104-F146 HydrophobicContact CB-CG 3.75Å; V104-F146 HydrophobicContact CG1-CD1 4.1Å; V104-F146 HydrophobicContact CG1-CD2 4.01Å; V104-F146 HydrophobicContact CG1-CE1 4.08Å; V104-F146 HydrophobicContact CG1-CE2 3.97Å; V104-F146 HydrophobicContact CG1-CG 4.07Å; V104-F146 HydrophobicContact CG1-CZ 4.01Å; V104-F146 HydrophobicContact CG2-CB 4.14Å; V104-F146 HydrophobicContact CG2-CD1 4.01Å; V104-F146 HydrophobicContact CG2-CG 4.07Å; V104-F167 HydrophobicContact CG1-CE2 4.45Å; V104-F167 HydrophobicContact CG1-CZ 3.96Å
105D98.4Very high97.3Very high0 Ų014.9 Ų14.90%08%0.075CC..SBendtrans67.3166.3-178.2-67.3-41.5000114.5H76 G107 S110 H135 N141 Y144 G145 F146H76-D105 CarbonylContact C-O 3.47Å; H76-D105 VanDerWaalsContact CA-O 3.31Å; H76-D105 WeakPolarHBondContact CA-O 3.31Å; H76-D105 WeakPolarHBondContact CB-O 3.31Å; H76-D105 VanDerWaalsContact O-O 3.06Å; D105-G107 PolarHBondContact O-N 2.9Å; D105-S110 PolarHBondContact N-OG 2.73Å; D105-H135 WeakPolarHBondContact CB-ND1 3.14Å; D105-H135 IonicContact OD2-CE1 3.76Å; D105-H135 IonicContact OD2-CG 3.36Å; D105-H135 IonicContact OD2-ND1 3.7Å; D105-H135 PolarHBondContact OD2-ND1 3.22Å; D105-N141 WeakPolarHBondContact OD2-CA 3.44Å; D105-N141 WeakPolarHBondContact OD2-CB 3.47Å; D105-Y144 WeakPolarHBondContact CB-O 3.4Å; D105-Y144 VanDerWaalsContact CG-CB 3.45Å; D105-G145 PolarHBondContact OD1-N 3.48Å; D105-F146 WeakPolarHBondContact OD1-CB 3.4Å; D105-F146 PolarHBondContact OD1-N 2.94Å
106R96.5Very high97.3Very high112 Ų11213.3 Ų13.342%0.4237%0.065SC..SBendtrans66.5-55.8174.5-44.8-72.5-168.3166.91.4115.1H76 Y144 Y283H76-R106 HydrophobicContact CB-CB 4.13Å; H76-R106 HydrophobicContact CB-CG 4.39Å; R106-Y144 VanDerWaalsContact CZ-CE1 3.49Å; R106-Y144 PolarHBondContact N-O 2.86Å; R106-Y144 VanDerWaalsContact NH2-CD1 3.34Å; R106-Y283 HydrophobicContact CB-CE2 4.35Å; R106-Y283 WeakPolarHBondContact CG-OH 3.3Å
107G94Very high97.3Very high11 Ų1110.7 Ų10.711%0.1136%0.056CC..SBendtrans-82.4164.7175.200000112.8H76 D105H76-G107 WeakPolarHBondContact O-CA 3.46Å; H76-G107 PolarHBondContact O-N 2.82Å; D105-G107 PolarHBondContact O-N 2.9Å
108P91.1Very high97.3Very high82 Ų8210.8 Ų10.853%0.5326%0.056SC..SBendtrans-86.8-8.8-16834.4-37.3000114.8M35M35-P108 HydrophobicContact CE-CB 3.86Å; M35-P108 HydrophobicContact CE-CG 4.42Å; M35-P108 VanDerWaalsContact CE-O 3.32Å; M35-P108 WeakPolarHBondContact CE-O 3.48Å
109M94.8Very high97.2Very high7 Ų711 Ų113%0.0346%0.057CC..  trans-126.447.6-173-63.5-177.977.900111.1M35 G77 F79 L111 E112 T113M35-M109 HydrophobicContact CB-CE 4.32Å; M35-M109 HydrophobicContact CE-CG 3.48Å; M35-M109 VanDerWaalsContact CE-CG 3.48Å; M35-M109 HydrophobicContact CE-SD 4.32Å; M35-M109 HydrophobicContact CG-CE 4.4Å; M35-M109 HydrophobicContact CG-CG 4.47Å; G77-M109 CarbonylContact O-C 3.47Å; G77-M109 WeakPolarHBondContact O-CA 3.19Å; G77-M109 WeakPolarHBondContact O-CB 3.47Å; G77-M109 PolarHBondContact O-N 2.79Å; G77-M109 VanDerWaalsContact O-N 3.16Å; F79-M109 HydrophobicContact CB-CB 3.63Å; F79-M109 HydrophobicContact CB-CE 4.29Å; F79-M109 HydrophobicContact CB-CG 4.45Å; F79-M109 HydrophobicContact CB-SD 4.1Å; F79-M109 HydrophobicContact CD1-CE 3.61Å; F79-M109 HydrophobicContact CD1-SD 4.26Å; F79-M109 HydrophobicContact CE1-CE 4.35Å; F79-M109 HydrophobicContact CG-CE 4.26Å; M109-L111 VanDerWaalsContact C-N 3.31Å; M109-E112 WeakPolarHBondContact CA-OE2 3.35Å; M109-E112 HydrophobicContact CB-CB 4.34Å; M109-E112 HydrophobicContact CE-CB 4.15Å; M109-E112 HydrophobicContact CE-CG 3.69Å; M109-E112 PolarHBondContact O-N 3.23Å; M109-T113 WeakPolarHBondContact O-CB 3.46Å; M109-T113 PolarHBondContact O-N 3.06Å; M109-T113 VanDerWaalsContact O-N 3.09Å; M109-T113 PolarHBondContact O-OG1 3.47Å
110S97.6Very high97.1Very high0 Ų011.1 Ų11.10%06%0.058CC..Hα-helixtrans-61.8-41.4177.2-57.60000110.9D105 T113 V114 F146 E149D105-S110 PolarHBondContact N-OG 2.73Å; S110-T113 PolarHBondContact O-N 3.13Å; S110-V114 WeakPolarHBondContact O-CG1 3.42Å; S110-V114 PolarHBondContact O-N 2.89Å; S110-F146 VanDerWaalsContact CB-CD2 3.46Å; S110-E149 WeakPolarHBondContact CA-OE2 3.5Å; S110-E149 WeakPolarHBondContact CB-OE2 3.41Å; S110-E149 PolarHBondContact N-OE1 3Å; S110-E149 PolarHBondContact N-OE2 2.79Å; S110-E149 PolarHBondContact OG-OE2 3.15Å; S110-E149 VanDerWaalsContact OG-OE2 3.11Å
111L96.8Very high97Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-58.9-50.5178175.968.8000111.8P39 I45 M109 T113 V114 M115 E149 I150 Y154 F163P39-L111 HydrophobicContact CG-CD2 3.45Å; P39-L111 VanDerWaalsContact CG-CD2 3.45Å; P39-L111 HydrophobicContact CG-CG 4.26Å; I45-L111 HydrophobicContact CD1-CD1 4.1Å; M109-L111 VanDerWaalsContact C-N 3.31Å; L111-T113 VanDerWaalsContact C-N 3.28Å; L111-T113 PolarHBondContact O-N 3.36Å; L111-V114 WeakPolarHBondContact O-CG1 3.39Å; L111-M115 HydrophobicContact CD1-CG 3.75Å; L111-M115 HydrophobicContact CG-CG 4.24Å; L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 WeakPolarHBondContact O-CG 3.37Å; L111-M115 PolarHBondContact O-N 3.13Å; L111-E149 WeakPolarHBondContact CB-OE1 3.37Å; L111-E149 PolarHBondContact N-OE1 3.06Å; L111-I150 HydrophobicContact CB-CD1 4.22Å; L111-I150 HydrophobicContact CD1-CD1 3.91Å; L111-I150 HydrophobicContact CG-CD1 4.49Å; L111-Y154 HydrophobicContact CD2-CE2 3.67Å; L111-Y154 WeakPolarHBondContact CD2-OH 3.42Å; L111-F163 HydrophobicContact CD1-CE2 3.83Å; L111-F163 HydrophobicContact CD1-CZ 3.64Å
112E95.7Very high96.8Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-63.7-38.4-179.8-69.785.716600111.5L28 F79 M109 L116 R153L28-E112 HydrophobicContact CD2-CB 3.75Å; L28-E112 HydrophobicContact CD2-CG 3.65Å; F79-E112 HydrophobicContact CB-CB 4.22Å; F79-E112 HydrophobicContact CD1-CB 3.95Å; F79-E112 HydrophobicContact CD2-CB 3.65Å; F79-E112 HydrophobicContact CE1-CB 4.18Å; F79-E112 HydrophobicContact CE2-CB 3.9Å; F79-E112 HydrophobicContact CG-CB 3.67Å; F79-E112 HydrophobicContact CZ-CB 4.16Å; M109-E112 WeakPolarHBondContact CA-OE2 3.35Å; M109-E112 HydrophobicContact CB-CB 4.34Å; M109-E112 HydrophobicContact CE-CB 4.15Å; M109-E112 HydrophobicContact CE-CG 3.69Å; M109-E112 PolarHBondContact O-N 3.23Å; E112-L116 VanDerWaalsContact O-CB 3.32Å; E112-L116 WeakPolarHBondContact O-CB 3.42Å; E112-L116 PolarHBondContact O-N 3.28Å; E112-R153 VanDerWaalsContact CD-NH1 3.33Å; E112-R153 IonicContact OE1-CZ 3.18Å; E112-R153 IonicContact OE1-NH1 2.81Å; E112-R153 PolarHBondContact OE1-NH1 3Å; E112-R153 IonicContact OE1-NH2 2.95Å; E112-R153 PolarHBondContact OE1-NH2 3.28Å; E112-R153 IonicContact OE2-CZ 2.8Å; E112-R153 IonicContact OE2-NH1 2.69Å; E112-R153 PolarHBondContact OE2-NH1 2.67Å; E112-R153 IonicContact OE2-NH2 3.39Å
113T97.3Very high96.6Very high0 Ų018.5 Ų18.50%09%0.088CC..Hα-helixtrans-62.9-57178.2-57.80000110.9L75 G77 F79 L82 Y103 M109 S110 L111 M115 L116 L117L75-T113 HydrophobicContact CB-CG2 4.01Å; L75-T113 HydrophobicContact CD1-CG2 3.98Å; G77-T113 WeakPolarHBondContact CA-OG1 3.21Å; F79-T113 WeakPolarHBondContact CA-OG1 3.04Å; F79-T113 PolarHBondContact N-OG1 3.25Å; L82-T113 HydrophobicContact CD2-CG2 4.03Å; Y103-T113 WeakPolarHBondContact O-CG2 3.39Å; M109-T113 WeakPolarHBondContact O-CB 3.46Å; M109-T113 PolarHBondContact O-N 3.06Å; M109-T113 VanDerWaalsContact O-N 3.09Å; M109-T113 PolarHBondContact O-OG1 3.47Å; S110-T113 PolarHBondContact O-N 3.13Å; L111-T113 VanDerWaalsContact C-N 3.28Å; L111-T113 PolarHBondContact O-N 3.36Å; T113-M115 PolarHBondContact O-N 3.05Å; T113-L116 PolarHBondContact O-N 3.36Å; T113-L117 HydrophobicContact CG2-CD1 4.46Å; T113-L117 WeakPolarHBondContact O-CG 3.33Å; T113-L117 PolarHBondContact O-N 2.83Å
114V98.3Very high96.4Very high2 Ų219.3 Ų19.31%0.0129%0.091CC..Hα-helixtrans-63.9-44-179.371.90000110.9V104 S110 L111 L116 L117 L118 F146 F163 F167V104-V114 HydrophobicContact CG1-CB 4.1Å; V104-V114 HydrophobicContact CG1-CG1 4.43Å; S110-V114 WeakPolarHBondContact O-CG1 3.42Å; S110-V114 PolarHBondContact O-N 2.89Å; L111-V114 WeakPolarHBondContact O-CG1 3.39Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.12Å; V114-L117 PolarHBondContact O-N 2.74Å; V114-L118 HydrophobicContact CG2-CD1 4Å; V114-L118 HydrophobicContact CG2-CG 4.06Å; V114-L118 VanDerWaalsContact O-CG 3.27Å; V114-L118 WeakPolarHBondContact O-CG 3.36Å; V114-L118 PolarHBondContact O-N 3.23Å; V114-F146 HydrophobicContact CG1-CZ 4.4Å; V114-F163 HydrophobicContact CG1-CD1 4.13Å; V114-F163 HydrophobicContact CG1-CE1 3.56Å; V114-F163 HydrophobicContact CG1-CZ 4.01Å; V114-F163 HydrophobicContact CG2-CD1 4.43Å; V114-F163 HydrophobicContact CG2-CE1 4.36Å; V114-F167 HydrophobicContact CG2-CE1 3.72Å; V114-F167 HydrophobicContact CG2-CZ 3.84Å
115M97.4Very high96.3Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-61.7-41.2-179.7-72.3-65-70.100112.3L28 F40 I45 V48 L111 T113 L117 L118 L119 F163L28-M115 HydrophobicContact CD1-CB 4.28Å; F40-M115 HydrophobicContact CD1-CE 4.2Å; F40-M115 HydrophobicContact CD2-CB 4.32Å; F40-M115 HydrophobicContact CD2-CE 3.73Å; F40-M115 HydrophobicContact CD2-CG 3.94Å; F40-M115 HydrophobicContact CE1-CE 4.34Å; F40-M115 HydrophobicContact CE2-CB 3.61Å; F40-M115 HydrophobicContact CE2-CE 3.87Å; F40-M115 HydrophobicContact CE2-CG 3.74Å; F40-M115 HydrophobicContact CG-CE 3.88Å; F40-M115 HydrophobicContact CZ-CB 4.18Å; F40-M115 HydrophobicContact CZ-CE 4.14Å; I45-M115 HydrophobicContact CG1-CE 4.23Å; I45-M115 HydrophobicContact CG1-SD 4.41Å; V48-M115 HydrophobicContact CB-CE 3.9Å; V48-M115 HydrophobicContact CB-SD 4.39Å; V48-M115 HydrophobicContact CG1-CE 3.94Å; V48-M115 HydrophobicContact CG1-SD 4.01Å; V48-M115 HydrophobicContact CG2-CE 3.84Å; L111-M115 HydrophobicContact CD1-CG 3.75Å; L111-M115 HydrophobicContact CG-CG 4.24Å; L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 WeakPolarHBondContact O-CG 3.37Å; L111-M115 PolarHBondContact O-N 3.13Å; T113-M115 PolarHBondContact O-N 3.05Å; M115-L117 VanDerWaalsContact C-N 3.35Å; M115-L117 PolarHBondContact O-N 3.36Å; M115-L118 PolarHBondContact O-N 3.4Å; M115-L119 WeakPolarHBondContact O-CB 3.08Å; M115-L119 WeakPolarHBondContact O-CD1 3.43Å; M115-L119 WeakPolarHBondContact O-CG 3.45Å; M115-L119 PolarHBondContact O-N 3.35Å; M115-F163 HydrophobicContact CG-CZ 4.21Å; M115-F163 HydrophobicContact SD-CE1 3.98Å; M115-F163 HydrophobicContact SD-CZ 3.76Å
116L96.3Very high96.2Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-62.1-44.3176.8-174.358.9000111.6R25 L28 F79 L82 L83 L86 E112 T113 V114 Y120R25-L116 HydrophobicContact CG-CD1 4.35Å; L28-L116 HydrophobicContact CD1-CB 3.91Å; L28-L116 HydrophobicContact CD1-CD1 4.1Å; F79-L116 HydrophobicContact CE2-CB 4.05Å; F79-L116 HydrophobicContact CE2-CD2 3.66Å; F79-L116 HydrophobicContact CE2-CG 4.45Å; F79-L116 HydrophobicContact CZ-CD2 4.32Å; L82-L116 HydrophobicContact CD2-CB 4.48Å; L82-L116 HydrophobicContact CD2-CD2 3.99Å; L82-L116 HydrophobicContact CG-CD2 4.42Å; L83-L116 HydrophobicContact CD2-CD2 3.78Å; L86-L116 HydrophobicContact CD1-CD2 4.08Å; E112-L116 VanDerWaalsContact O-CB 3.32Å; E112-L116 WeakPolarHBondContact O-CB 3.42Å; E112-L116 PolarHBondContact O-N 3.28Å; T113-L116 PolarHBondContact O-N 3.36Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.12Å; L116-Y120 HydrophobicContact CD1-CD2 3.98Å; L116-Y120 HydrophobicContact CD1-CE2 3.5Å; L116-Y120 HydrophobicContact CD2-CE2 4.22Å; L116-Y120 HydrophobicContact CG-CD2 3.93Å; L116-Y120 HydrophobicContact CG-CE2 3.71Å; L116-Y120 VanDerWaalsContact O-CD2 3.23Å; L116-Y120 WeakPolarHBondContact O-CD2 3.36Å; L116-Y120 PolarHBondContact O-N 3.28Å
117L98.4Very high96.3Very high3 Ų323.6 Ų23.62%0.01613%0.126CC..Hα-helixtrans-65.4-45.4179.5-66.5177.3000111.6L75 L82 F99 Y103 T113 V114 M115 L119 Y120 K121 L130L75-L117 HydrophobicContact CD1-CD1 3.85Å; L82-L117 HydrophobicContact CD1-CD2 4.17Å; L82-L117 HydrophobicContact CD2-CD2 4.06Å; L82-L117 HydrophobicContact CD2-CG 4.12Å; F99-L117 HydrophobicContact CD1-CD2 4.07Å; F99-L117 HydrophobicContact CD2-CD2 4.01Å; F99-L117 HydrophobicContact CE1-CD2 3.73Å; F99-L117 HydrophobicContact CE2-CD2 3.62Å; F99-L117 HydrophobicContact CG-CD2 4.22Å; F99-L117 HydrophobicContact CZ-CD2 3.48Å; F99-L117 VanDerWaalsContact CZ-CD2 3.48Å; Y103-L117 HydrophobicContact CD1-CD1 3.36Å; Y103-L117 HydrophobicContact CE1-CD1 3.82Å; Y103-L117 HydrophobicContact CG-CD1 3.82Å; T113-L117 HydrophobicContact CG2-CD1 4.46Å; T113-L117 WeakPolarHBondContact O-CG 3.33Å; T113-L117 PolarHBondContact O-N 2.83Å; V114-L117 PolarHBondContact O-N 2.74Å; M115-L117 VanDerWaalsContact C-N 3.35Å; M115-L117 PolarHBondContact O-N 3.36Å; L117-L119 PolarHBondContact O-N 3.33Å; L117-Y120 PolarHBondContact O-N 2.85Å; L117-K121 WeakPolarHBondContact O-CB 3.17Å; L117-K121 PolarHBondContact O-N 3.46Å; L117-L130 HydrophobicContact CB-CD1 3.93Å; L117-L130 HydrophobicContact CB-CD2 4.07Å; L117-L130 HydrophobicContact CD1-CD2 4.37Å; L117-L130 HydrophobicContact CD2-CD2 4.31Å; L117-L130 HydrophobicContact CG-CD2 4.49Å
118L98.1Very high96.5Very high2 Ų223.1 Ų23.11%0.0112%0.121CC..Hα-helixtrans-62.1-43.2177.4-65.9-179000111.6V48 A52 F56 V114 M115 Y120 K121 I122 L130 F163 M166V48-L118 HydrophobicContact CG1-CB 3.75Å; V48-L118 HydrophobicContact CG1-CD1 4.04Å; A52-L118 HydrophobicContact CB-CB 4.45Å; A52-L118 HydrophobicContact CB-CD2 3.81Å; A52-L118 HydrophobicContact CB-CG 4.46Å; F56-L118 HydrophobicContact CE2-CD2 4.02Å; F56-L118 HydrophobicContact CZ-CD2 4.31Å; V114-L118 HydrophobicContact CG2-CD1 4Å; V114-L118 HydrophobicContact CG2-CG 4.06Å; V114-L118 VanDerWaalsContact O-CG 3.27Å; V114-L118 WeakPolarHBondContact O-CG 3.36Å; V114-L118 PolarHBondContact O-N 3.23Å; M115-L118 PolarHBondContact O-N 3.4Å; L118-Y120 PolarHBondContact O-N 3.4Å; L118-K121 WeakPolarHBondContact O-CB 3.37Å; L118-K121 PolarHBondContact O-N 3.26Å; L118-I122 WeakPolarHBondContact O-CB 3.28Å; L118-I122 WeakPolarHBondContact O-CD1 3.31Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.24Å; L118-L130 HydrophobicContact CD2-CD1 4.23Å; L118-F163 HydrophobicContact CD1-CD1 4.46Å; L118-F163 HydrophobicContact CD1-CE1 4.09Å; L118-M166 HydrophobicContact CD1-CE 3.57Å; L118-M166 HydrophobicContact CD1-SD 4.49Å; L118-M166 HydrophobicContact CD2-CE 3.83Å; L118-M166 HydrophobicContact CD2-SD 3.86Å; L118-M166 HydrophobicContact CG-CE 4.29Å
119L96.6Very high96.8Very high4 Ų419.8 Ų19.82%0.02110%0.098CC..Hα-helixtrans-57.1-50.9174-74.8170000110.1W21 K24 L28 F40 V48 M115 L117 K121 I122 R123W21-L119 HydrophobicContact CG-CD2 4.5Å; W21-L119 PolarHBondContact NE1-O 2.89Å; K24-L119 HydrophobicContact CB-CD1 3.83Å; K24-L119 HydrophobicContact CB-CD2 4.04Å; L28-L119 HydrophobicContact CD1-CD1 3.9Å; F40-L119 HydrophobicContact CZ-CD1 4.45Å; V48-L119 HydrophobicContact CG2-CD2 3.99Å; M115-L119 WeakPolarHBondContact O-CB 3.08Å; M115-L119 WeakPolarHBondContact O-CD1 3.43Å; M115-L119 WeakPolarHBondContact O-CG 3.45Å; M115-L119 PolarHBondContact O-N 3.35Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.06Å; L119-I122 PolarHBondContact O-N 2.88Å; L119-R123 PolarHBondContact O-N 2.66Å
120Y96.7Very high97Very high7 Ų719.5 Ų19.53%0.02710%0.097CC..Hα-helixtrans-60-41.2176.9-82.2-58.2000112.9W21 L86 Y91 P92 L116 L117 L118 R123 Y124W21-Y120 HydrophobicContact CH2-CE1 4.2Å; W21-Y120 AromaticContact CZ2-CD1 3.76Å; W21-Y120 HydrophobicContact CZ2-CD1 3.76Å; W21-Y120 AromaticContact CZ2-CE1 3.74Å; W21-Y120 HydrophobicContact CZ2-CE1 3.74Å; L86-Y120 HydrophobicContact CD1-CE2 3.93Å; Y91-Y120 VanDerWaalsContact CD1-OH 3.26Å; Y91-Y120 WeakPolarHBondContact CD1-OH 3.19Å; P92-Y120 HydrophobicContact CB-CD1 3.85Å; P92-Y120 HydrophobicContact CB-CE1 4.13Å; P92-Y120 HydrophobicContact CG-CD1 3.84Å; P92-Y120 HydrophobicContact CG-CE1 4.08Å; P92-Y120 HydrophobicContact CG-CG 4.25Å; L116-Y120 HydrophobicContact CD1-CD2 3.98Å; L116-Y120 HydrophobicContact CD1-CE2 3.5Å; L116-Y120 HydrophobicContact CD2-CE2 4.22Å; L116-Y120 HydrophobicContact CG-CD2 3.93Å; L116-Y120 HydrophobicContact CG-CE2 3.71Å; L116-Y120 VanDerWaalsContact O-CD2 3.23Å; L116-Y120 WeakPolarHBondContact O-CD2 3.36Å; L116-Y120 PolarHBondContact O-N 3.28Å; L117-Y120 PolarHBondContact O-N 2.85Å; L118-Y120 PolarHBondContact O-N 3.4Å; Y120-R123 PolarHBondContact O-N 3.48Å; Y120-Y124 AromaticContact CD1-CD2 3.85Å; Y120-Y124 HydrophobicContact CD1-CD2 3.85Å; Y120-Y124 AromaticContact CD1-CE2 3.93Å; Y120-Y124 HydrophobicContact CD1-CE2 3.93Å; Y120-Y124 HydrophobicContact CE1-CE2 4.23Å; Y120-Y124 PolarHBondContact O-N 3.09Å
121K96.7Very high97.1Very high3 Ų319.5 Ų19.51%0.01310%0.097CC..Hα-helixtrans-61.4-44.4177173.964.4-179.1112.60112.5F56 Q59 L117 L118 L119 A125 V128 L130F56-K121 HydrophobicContact CE1-CD 4.09Å; F56-K121 HydrophobicContact CE1-CG 4.05Å; F56-K121 HydrophobicContact CZ-CG 4.04Å; Q59-K121 VanDerWaalsContact CD-NZ 3.25Å; L117-K121 WeakPolarHBondContact O-CB 3.17Å; L117-K121 PolarHBondContact O-N 3.46Å; L118-K121 WeakPolarHBondContact O-CB 3.37Å; L118-K121 PolarHBondContact O-N 3.26Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.06Å; K121-A125 PolarHBondContact NZ-O 3.18Å; K121-A125 WeakPolarHBondContact O-CA 3.4Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.07Å; K121-V128 WeakPolarHBondContact CD-O 3.47Å; K121-L130 HydrophobicContact CB-CD1 3.82Å; K121-L130 HydrophobicContact CB-CG 4.35Å; K121-L130 HydrophobicContact CG-CD1 4.23Å
122I95.7Very high97.2Very high47 Ų4719.6 Ų19.624%0.24110%0.097CC..Hα-helixtrans-64-44.3178.4-69.8161.7000110.1V48 Q51 A52 L118 L119V48-I122 HydrophobicContact CB-CD1 4.49Å; V48-I122 HydrophobicContact CG1-CD1 3.92Å; Q51-I122 HydrophobicContact CB-CD1 3.88Å; Q51-I122 HydrophobicContact CB-CG1 4.16Å; Q51-I122 HydrophobicContact CB-CG2 4.42Å; A52-I122 HydrophobicContact CB-CD1 4.21Å; A52-I122 HydrophobicContact CB-CG1 4.24Å; L118-I122 WeakPolarHBondContact O-CB 3.28Å; L118-I122 WeakPolarHBondContact O-CD1 3.31Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.24Å; L119-I122 PolarHBondContact O-N 2.88Å
123R94.5Very high97.3Very high106 Ų10619.6 Ų19.640%0.410%0.097SC..Hα-helixtrans-78.2-35.2-175178.357.1-172.596.7-8.7113.8W18 W21 L119 Y120W18-R123 HydrophobicContact CE3-CG 4.35Å; W18-R123 HydrophobicContact CZ3-CG 4.11Å; W21-R123 HydrophobicContact CD2-CB 3.98Å; W21-R123 HydrophobicContact CD2-CG 3.98Å; W21-R123 HydrophobicContact CE3-CG 4.29Å; W21-R123 HydrophobicContact CG-CB 4.01Å; W21-R123 HydrophobicContact CG-CG 4.37Å; W21-R123 HydrophobicContact CH2-CG 4.39Å; W21-R123 HydrophobicContact CZ2-CB 4.16Å; W21-R123 HydrophobicContact CZ2-CG 4.13Å; W21-R123 HydrophobicContact CZ3-CG 4.48Å; L119-R123 PolarHBondContact O-N 2.66Å; Y120-R123 PolarHBondContact O-N 3.48Å
124Y95.7Very high97.4Very high19 Ų1919.8 Ų19.88%0.07510%0.098CC..  trans-13160.1-172.9-52.5-62.4000109.8W21 P92 P93 Y120 D126 E127 V128W21-Y124 AromaticContact CH2-CE2 3.68Å; W21-Y124 HydrophobicContact CH2-CE2 3.68Å; W21-Y124 HydrophobicContact CZ2-CD2 4.45Å; W21-Y124 AromaticContact CZ2-CE2 3.68Å; W21-Y124 HydrophobicContact CZ2-CE2 3.68Å; P92-Y124 HydrophobicContact CB-CD2 3.68Å; P92-Y124 HydrophobicContact CB-CE2 4.13Å; P92-Y124 HydrophobicContact CB-CG 4.36Å; P93-Y124 HydrophobicContact CB-CD1 3.7Å; P93-Y124 HydrophobicContact CB-CE1 3.85Å; P93-Y124 HydrophobicContact CB-CG 4.17Å; P93-Y124 HydrophobicContact CG-CD1 4.05Å; P93-Y124 HydrophobicContact CG-CE1 3.65Å; Y120-Y124 AromaticContact CD1-CD2 3.85Å; Y120-Y124 HydrophobicContact CD1-CD2 3.85Å; Y120-Y124 AromaticContact CD1-CE2 3.93Å; Y120-Y124 HydrophobicContact CD1-CE2 3.93Å; Y120-Y124 HydrophobicContact CE1-CE2 4.23Å; Y120-Y124 PolarHBondContact O-N 3.09Å; Y124-D126 PolarHBondContact O-N 3.35Å; Y124-D126 VanDerWaalsContact O-N 3.14Å; Y124-E127 WeakPolarHBondContact CA-OE2 3.44Å; Y124-E127 WeakPolarHBondContact CB-OE2 3.25Å; Y124-E127 PolarHBondContact O-N 3.48Å; Y124-V128 PolarHBondContact O-N 3.02Å
125A95.9Very high97.4Very high36 Ų3620.1 Ų20.130%0.29810%0.1SC..THydrogen-bonded Turntrans-61.3-23.4-171.400000114.3K121K121-A125 PolarHBondContact NZ-O 3.18Å; K121-A125 WeakPolarHBondContact O-CA 3.4Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.07Å
126D96Very high97.4Very high110 Ų11020.1 Ų20.159%0.58810%0.1SC*.THydrogen-bonded Turntrans-96.4-8178.6-64.6-42.7000113.2R96 Y124 F129R96-D126 PolarHBondContact NE-O 2.96Å; R96-D126 PolarHBondContact NH2-O 3.4Å; Y124-D126 PolarHBondContact O-N 3.35Å; Y124-D126 VanDerWaalsContact O-N 3.14Å; D126-F129 VanDerWaalsContact O-CE2 3.29Å; D126-F129 WeakPolarHBondContact O-CE2 3.49Å; D126-F129 WeakPolarHBondContact O-CZ 3.29Å
127E97.9Very high97.5Very high56 Ų5620.3 Ų20.326%0.26210%0.1SC..THydrogen-bonded Turntrans-110.2-27.2177.8-63.672.2-157.400112.8P93 R96 Y97 Y124P93-E127 HydrophobicContact CB-CG 4.09Å; R96-E127 CarbonylContact C-O 3.54Å; R96-E127 WeakPolarHBondContact CA-O 3.45Å; R96-E127 WeakPolarHBondContact CB-O 3.36Å; R96-E127 HydrophobicContact CG-CB 3.96Å; R96-E127 HydrophobicContact CG-CG 4.03Å; Y97-E127 PolarHBondContact N-O 2.94Å; Y124-E127 WeakPolarHBondContact CA-OE2 3.44Å; Y124-E127 WeakPolarHBondContact CB-OE2 3.25Å; Y124-E127 PolarHBondContact O-N 3.48Å
128V98.4Very high97.5Very high1 Ų124.1 Ų24.11%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-122.4113-177.4-178.20000109.8P92 Y97 F99 K121 Y124 L130P92-V128 HydrophobicContact CB-CG2 3.74Å; P92-V128 HydrophobicContact CG-CG2 3.5Å; Y97-V128 WeakPolarHBondContact O-CA 3.41Å; F99-V128 HydrophobicContact CD2-CG1 4.44Å; F99-V128 HydrophobicContact CE2-CG1 4.2Å; K121-V128 WeakPolarHBondContact CD-O 3.47Å; Y124-V128 PolarHBondContact O-N 3.02Å; V128-L130 HydrophobicContact CG1-CD2 4.28Å
129F98.8Very high97.4Very high12 Ų1229 Ų295%0.05314%0.144CC..EExtended strand (participates in β ladder)trans-111.2135.4-179-55.9-81.7000109L63 P65 Y97 L98 F99 D126L63-F129 HydrophobicContact CD1-CB 3.89Å; L63-F129 HydrophobicContact CD1-CD1 4.01Å; L63-F129 HydrophobicContact CD1-CG 4.36Å; P65-F129 HydrophobicContact CB-CD1 4.34Å; P65-F129 HydrophobicContact CB-CD2 3.65Å; P65-F129 HydrophobicContact CB-CE1 4.1Å; P65-F129 HydrophobicContact CB-CE2 3.39Å; P65-F129 HydrophobicContact CB-CG 4.13Å; P65-F129 HydrophobicContact CB-CZ 3.62Å; P65-F129 HydrophobicContact CG-CD2 4.41Å; Y97-F129 WeakPolarHBondContact O-CD2 3.34Å; Y97-F129 PolarHBondContact O-N 2.71Å; L98-F129 CarbonylContact C-O 3.59Å; L98-F129 WeakPolarHBondContact CA-O 3.35Å; L98-F129 HydrophobicContact CB-CB 4.49Å; L98-F129 HydrophobicContact CD1-CB 3.61Å; F99-F129 PolarHBondContact N-O 3.24Å; D126-F129 VanDerWaalsContact O-CE2 3.29Å; D126-F129 WeakPolarHBondContact O-CE2 3.49Å; D126-F129 WeakPolarHBondContact O-CZ 3.29Å
130L98.9Very high97.5Very high2 Ų229.7 Ų29.71%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-124.6119.2179.5-54.8177.4000107.8F56 F99 L117 L118 K121 V128 M170F56-L130 HydrophobicContact CE1-CB 4.04Å; F56-L130 HydrophobicContact CZ-CB 4.01Å; F56-L130 HydrophobicContact CZ-CD1 4Å; F56-L130 HydrophobicContact CZ-CG 4.48Å; F99-L130 HydrophobicContact CB-CD2 3.78Å; F99-L130 HydrophobicContact CD2-CD2 3.48Å; F99-L130 VanDerWaalsContact CD2-CD2 3.48Å; F99-L130 HydrophobicContact CE2-CD2 4.34Å; F99-L130 HydrophobicContact CG-CD2 3.87Å; L117-L130 HydrophobicContact CB-CD1 3.93Å; L117-L130 HydrophobicContact CB-CD2 4.07Å; L117-L130 HydrophobicContact CD1-CD2 4.37Å; L117-L130 HydrophobicContact CD2-CD2 4.31Å; L117-L130 HydrophobicContact CG-CD2 4.49Å; L118-L130 HydrophobicContact CD2-CD1 4.23Å; K121-L130 HydrophobicContact CB-CD1 3.82Å; K121-L130 HydrophobicContact CB-CG 4.35Å; K121-L130 HydrophobicContact CG-CD1 4.23Å; V128-L130 HydrophobicContact CG1-CD2 4.28Å; L130-M170 HydrophobicContact CB-CE 3.54Å
131L98.9Very high97.5Very high0 Ų029.3 Ų29.30%015%0.146CC..  trans-92.1161.8170-57.7-176.8000110.3L63 L98 F99 L100 G101 Y103 M170 P171 A173 A174L63-L131 HydrophobicContact CD1-CD2 3.67Å; L63-L131 HydrophobicContact CG-CD2 4.22Å; L98-L131 HydrophobicContact CD1-CD1 4.06Å; L98-L131 HydrophobicContact CD1-CD2 4.22Å; L98-L131 HydrophobicContact CD1-CG 3.78Å; F99-L131 WeakPolarHBondContact O-CB 3.45Å; F99-L131 PolarHBondContact O-N 3.21Å; L100-L131 HydrophobicContact CD2-CD1 3.77Å; G101-L131 WeakPolarHBondContact CA-O 3.27Å; G101-L131 PolarHBondContact N-O 3.33Å; Y103-L131 WeakPolarHBondContact CE2-O 3.41Å; Y103-L131 VanDerWaalsContact CZ-O 3.3Å; Y103-L131 PolarHBondContact OH-N 2.99Å; Y103-L131 PolarHBondContact OH-O 2.86Å; L131-M170 WeakPolarHBondContact O-CE 3.2Å; L131-P171 CarbonylContact C-O 3.48Å; L131-P171 VanDerWaalsContact CA-O 3.31Å; L131-P171 WeakPolarHBondContact CA-O 3.23Å; L131-P171 HydrophobicContact CD2-CB 4.08Å; L131-A173 WeakPolarHBondContact CD2-O 3.4Å; L131-A174 HydrophobicContact CD1-CB 4.24Å; L131-A174 HydrophobicContact CD2-CB 4.34Å
132R98.7Very high97.6Very high1 Ų131.2 Ų31.20%0.00416%0.16CC..  trans-85.7131.4178.1-158.1178.7-177.1173.82.3111.3E136 F137 F167 N168 M170 P171 L172 H184 M204R132-E136 HydrophobicContact CG-CB 3.68Å; R132-E136 PolarHBondContact NE-O 3.4Å; R132-E136 PolarHBondContact NH2-O 2.84Å; R132-F137 HydrophobicContact CG-CE2 4.29Å; R132-F137 VanDerWaalsContact NE-CE2 3.34Å; R132-F167 VanDerWaalsContact CZ-O 3.29Å; R132-F167 PolarHBondContact NE-O 2.92Å; R132-N168 PolarHBondContact NH2-OD1 2.84Å; R132-M170 HydrophobicContact CB-CB 3.73Å; R132-M170 HydrophobicContact CG-CB 3.98Å; R132-P171 PolarHBondContact N-O 3.17Å; R132-L172 HydrophobicContact CB-CD2 3.66Å; R132-L172 HydrophobicContact CG-CD2 4.39Å; R132-H184 WeakPolarHBondContact O-CB 3.46Å; R132-M204 PolarHBondContact NH1-O 3.11Å; R132-M204 PolarHBondContact NH2-O 3.16Å
133G98.6Very high97.7Very high0 Ų034 Ų340%018%0.179CC..  trans-95175.7165.700000112.2G101 D102 H135 E136 H184G101-G133 VanDerWaalsContact CA-N 3.33Å; D102-G133 WeakPolarHBondContact OD1-CA 3.38Å; G133-H135 VanDerWaalsContact C-N 3.27Å; G133-H135 PolarHBondContact O-N 3.06Å; G133-E136 VanDerWaalsContact CA-OE2 3.31Å; G133-E136 WeakPolarHBondContact CA-OE2 3.36Å; G133-E136 PolarHBondContact N-OE2 3.38Å; G133-E136 PolarHBondContact O-N 3.36Å; G133-H184 VanDerWaalsContact CA-CD2 3.41Å; G133-H184 WeakPolarHBondContact CA-CD2 3.35Å; G133-H184 VanDerWaalsContact CA-CG 3.45Å
134N98.3Very high97.8Very high4 Ų433.4 Ų33.42%0.02118%0.177CC..G310 helixtrans-74-22178.268.1-47000112D102 E136 F137 L140 H184 M216 W217 H259D102-N134 PolarHBondContact OD1-N 2.85Å; D102-N134 VanDerWaalsContact OD1-N 3.13Å; D102-N134 PolarHBondContact OD1-OD1 3.48Å; D102-N134 PolarHBondContact OD2-OD1 2.57Å; N134-E136 VanDerWaalsContact C-N 3.26Å; N134-E136 PolarHBondContact O-N 2.84Å; N134-F137 PolarHBondContact O-N 2.94Å; N134-L140 WeakPolarHBondContact O-CG 3.45Å; N134-H184 PolarHBondContact N-CD2 3.42Å; N134-H184 PolarHBondContact OD1-NE2 2.94Å; N134-M216 HydrophobicContact CB-CB 4.39Å; N134-W217 HydrophobicContact CB-CD2 4.08Å; N134-W217 HydrophobicContact CB-CH2 4.33Å; N134-W217 HydrophobicContact CB-CZ2 3.65Å; N134-W217 WeakPolarHBondContact ND2-CH2 3.07Å; N134-W217 WeakPolarHBondContact ND2-CZ2 3.49Å; N134-W217 WeakPolarHBondContact ND2-CZ3 3.15Å; N134-H259 PolarHBondContact ND2-CE1 3.49Å; N134-H259 PolarHBondContact OD1-CE1 2.97Å; N134-H259 PolarHBondContact OD1-ND1 3.17Å
135H98.5Very high97.8Very high10 Ų1033.9 Ų33.95%0.04619%0.188CC..G310 helixtrans-76.8-8171.8-76.1-97.1000113.6H76 D102 V104 D105 G133 F137 N141 Y144H76-H135 AromaticContact CE1-CD2 3.53Å; H76-H135 AromaticContact CE1-CG 3.74Å; H76-H135 AromaticContact CE1-NE2 3.76Å; D102-H135 VanDerWaalsContact OD1-CB 3.3Å; D102-H135 WeakPolarHBondContact OD1-CB 3.16Å; D102-H135 IonicContact OD1-CD2 3.72Å; D102-H135 IonicContact OD1-CG 2.72Å; D102-H135 PolarHBondContact OD1-N 3.29Å; D102-H135 IonicContact OD2-CD2 3.27Å; D102-H135 PolarHBondContact OD2-CD2 3.43Å; D102-H135 IonicContact OD2-CG 3.11Å; V104-H135 HydrophobicContact CG2-CB 4.39Å; V104-H135 WeakPolarHBondContact CG2-O 3.43Å; D105-H135 WeakPolarHBondContact CB-ND1 3.14Å; D105-H135 IonicContact OD2-CE1 3.76Å; D105-H135 IonicContact OD2-CG 3.36Å; D105-H135 IonicContact OD2-ND1 3.7Å; D105-H135 PolarHBondContact OD2-ND1 3.22Å; G133-H135 VanDerWaalsContact C-N 3.27Å; G133-H135 PolarHBondContact O-N 3.06Å; H135-F137 PolarHBondContact O-N 2.73Å; H135-N141 VanDerWaalsContact O-CB 3.32Å; H135-N141 WeakPolarHBondContact O-CB 3.45Å; H135-N141 PolarHBondContact O-ND2 2.89Å; H135-Y144 AromaticContact CE1-CD2 3.71Å; H135-Y144 AromaticContact CE1-CG 3.64Å
136E98.6Very high98Very high0 Ų032.2 Ų32.20%017%0.174CC..G310 helixtrans-86.923.5167.5-77.276.1-13000112.7D102 Y103 R132 G133 N134 F167 M170D102-E136 PolarHBondContact N-OE2 2.78Å; Y103-E136 VanDerWaalsContact CD2-CD 3.46Å; Y103-E136 HydrophobicContact CD2-CG 3.97Å; Y103-E136 WeakPolarHBondContact CD2-OE1 3.06Å; Y103-E136 HydrophobicContact CE2-CG 4.36Å; Y103-E136 PolarHBondContact N-OE1 2.86Å; R132-E136 HydrophobicContact CG-CB 3.68Å; R132-E136 PolarHBondContact NE-O 3.4Å; R132-E136 PolarHBondContact NH2-O 2.84Å; G133-E136 VanDerWaalsContact CA-OE2 3.31Å; G133-E136 WeakPolarHBondContact CA-OE2 3.36Å; G133-E136 PolarHBondContact N-OE2 3.38Å; G133-E136 PolarHBondContact O-N 3.36Å; N134-E136 VanDerWaalsContact C-N 3.26Å; N134-E136 PolarHBondContact O-N 2.84Å; E136-F167 HydrophobicContact CB-CB 4.09Å; E136-F167 HydrophobicContact CB-CD1 4.19Å; E136-F167 HydrophobicContact CB-CD2 4.07Å; E136-F167 HydrophobicContact CB-CG 3.89Å; E136-F167 HydrophobicContact CG-CD1 3.74Å; E136-F167 HydrophobicContact CG-CD2 4.05Å; E136-F167 HydrophobicContact CG-CE1 3.75Å; E136-F167 HydrophobicContact CG-CE2 4.08Å; E136-F167 HydrophobicContact CG-CG 3.89Å; E136-F167 HydrophobicContact CG-CZ 3.93Å; E136-F167 WeakPolarHBondContact O-CB 3.32Å; E136-M170 HydrophobicContact CG-SD 4.26Å
137F98.2Very high98.1Very high3 Ų330 Ų301%0.01316%0.159CC..SBendtrans-108.6141.2167.6-75.3-98.2000111.6R132 N134 H135 N139 L140 N141 S205 P207 M216R132-F137 HydrophobicContact CG-CE2 4.29Å; R132-F137 VanDerWaalsContact NE-CE2 3.34Å; N134-F137 PolarHBondContact O-N 2.94Å; H135-F137 PolarHBondContact O-N 2.73Å; F137-N139 VanDerWaalsContact C-N 3.32Å; F137-N139 VanDerWaalsContact CB-OD1 3.27Å; F137-N139 WeakPolarHBondContact CB-OD1 3.37Å; F137-N139 PolarHBondContact O-N 2.75Å; F137-L140 HydrophobicContact CB-CD2 4.47Å; F137-L140 PolarHBondContact O-N 2.84Å; F137-L140 VanDerWaalsContact O-N 3.1Å; F137-N141 VanDerWaalsContact O-CG 3.25Å; F137-N141 PolarHBondContact O-N 2.93Å; F137-N141 PolarHBondContact O-ND2 2.89Å; F137-S205 WeakPolarHBondContact CD1-O 3.39Å; F137-P207 HydrophobicContact CE1-CG 4.26Å; F137-P207 HydrophobicContact CZ-CG 4.38Å; F137-M216 HydrophobicContact CD2-CE 4.43Å; F137-M216 HydrophobicContact CD2-SD 4.46Å; F137-M216 HydrophobicContact CE1-CE 4.3Å; F137-M216 HydrophobicContact CE2-CE 3.35Å; F137-M216 HydrophobicContact CE2-SD 3.27Å; F137-M216 WeakPolarHBondContact CE2-SD 3.31Å; F137-M216 HydrophobicContact CZ-CE 3.25Å; F137-M216 HydrophobicContact CZ-SD 3.57Å; F137-M216 VanDerWaalsContact CZ-SD 3.57Å
138E97.9Very high98.1Very high84 Ų8430.4 Ų30.439%0.39317%0.172SC..Hα-helixtrans-57.9-42.6-174.1-170.4178.2159.300112.7L140 N141 S142 W160 N164E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.5Å; E138-N141 PolarHBondContact O-OD1 2.91Å; E138-S142 WeakPolarHBondContact O-CB 3.39Å; E138-S142 PolarHBondContact O-N 3.49Å; E138-S142 PolarHBondContact O-OG 2.9Å; E138-W160 HydrophobicContact CG-CH2 3.21Å; E138-W160 HydrophobicContact CG-CZ2 3.42Å; E138-W160 VanDerWaalsContact CG-CZ2 3.42Å; E138-W160 HydrophobicContact CG-CZ3 4.15Å; E138-W160 VanDerWaalsContact OE1-CH2 3.23Å; E138-W160 WeakPolarHBondContact OE1-CH2 3.49Å; E138-N164 VanDerWaalsContact CA-OD1 3.23Å; E138-N164 WeakPolarHBondContact CA-OD1 3.49Å; E138-N164 HydrophobicContact CB-CB 4.38Å; E138-N164 HydrophobicContact CG-CB 4.45Å; E138-N164 PolarHBondContact N-OD1 3.36Å
139N96.6Very high98Very high105 Ų10530.9 Ų30.956%0.56117%0.174SC*.Hα-helixtrans-61.9-39.4178.961.3-36.8000112F137 S142F137-N139 VanDerWaalsContact C-N 3.32Å; F137-N139 VanDerWaalsContact CB-OD1 3.27Å; F137-N139 WeakPolarHBondContact CB-OD1 3.37Å; F137-N139 PolarHBondContact O-N 2.75Å; N139-S142 PolarHBondContact O-OG 3.5Å
140L97.2Very high98Very high17 Ų1730.3 Ų30.39%0.08917%0.172CC..Hα-helixtrans-74.6-53.7179.8-80.1-62.5000110.8N134 F137 E138 S142 V143 Y144 W217N134-L140 WeakPolarHBondContact O-CG 3.45Å; F137-L140 HydrophobicContact CB-CD2 4.47Å; F137-L140 PolarHBondContact O-N 2.84Å; F137-L140 VanDerWaalsContact O-N 3.1Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.5Å; L140-S142 PolarHBondContact O-N 2.92Å; L140-S142 VanDerWaalsContact O-N 3.1Å; L140-V143 VanDerWaalsContact O-CG2 3.31Å; L140-V143 WeakPolarHBondContact O-CG2 3.38Å; L140-V143 PolarHBondContact O-N 3.25Å; L140-Y144 HydrophobicContact CB-CD2 4.25Å; L140-Y144 HydrophobicContact CD1-CD2 3.74Å; L140-Y144 HydrophobicContact CD1-CE2 3.34Å; L140-Y144 VanDerWaalsContact O-CD2 3.27Å; L140-Y144 WeakPolarHBondContact O-CD2 3.25Å; L140-Y144 PolarHBondContact O-N 3.33Å; L140-Y144 VanDerWaalsContact O-N 3.09Å; L140-W217 HydrophobicContact CD1-CH2 3.95Å; L140-W217 HydrophobicContact CD1-CZ2 4.3Å; L140-W217 HydrophobicContact CD2-CH2 4.35Å; L140-W217 HydrophobicContact CD2-CZ2 3.92Å; L140-W217 HydrophobicContact CG-CH2 4.27Å; L140-W217 HydrophobicContact CG-CZ2 4.12Å
141N98.3Very high97.9Very high0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-73-6.1-17671.339.9000114.3V104 D105 H135 F137 E138 V143 F146 K147 W160 N164V104-N141 HydrophobicContact CG2-CB 4.19Å; D105-N141 WeakPolarHBondContact OD2-CA 3.44Å; D105-N141 WeakPolarHBondContact OD2-CB 3.47Å; H135-N141 VanDerWaalsContact O-CB 3.32Å; H135-N141 WeakPolarHBondContact O-CB 3.45Å; H135-N141 PolarHBondContact O-ND2 2.89Å; F137-N141 VanDerWaalsContact O-CG 3.25Å; F137-N141 PolarHBondContact O-N 2.93Å; F137-N141 PolarHBondContact O-ND2 2.89Å; E138-N141 PolarHBondContact O-OD1 2.91Å; N141-V143 VanDerWaalsContact C-N 3.34Å; N141-F146 HydrophobicContact CB-CB 4Å; N141-F146 HydrophobicContact CB-CD1 4.11Å; N141-K147 WeakPolarHBondContact O-CB 3.47Å; N141-K147 PolarHBondContact O-N 3.02Å; N141-W160 WeakPolarHBondContact OD1-CZ2 3.24Å; N141-W160 PolarHBondContact OD1-NE1 2.83Å; N141-N164 PolarHBondContact ND2-OD1 2.98Å; N141-N164 PolarHBondContact OD1-ND2 2.96Å; N141-N164 PolarHBondContact OD1-OD1 3.39Å
142S98Very high97.8Very high42 Ų4239.8 Ų39.829%0.29421%0.212SC..THydrogen-bonded Turntrans-71.8-24166.675.50000114.1E138 N139 L140E138-S142 WeakPolarHBondContact O-CB 3.39Å; E138-S142 PolarHBondContact O-N 3.49Å; E138-S142 PolarHBondContact O-OG 2.9Å; N139-S142 PolarHBondContact O-OG 3.5Å; L140-S142 PolarHBondContact O-N 2.92Å; L140-S142 VanDerWaalsContact O-N 3.1Å
143V97.5Very high97.6Very high106 Ų10639.8 Ų39.864%0.64221%0.212SC*.THydrogen-bonded Turntrans-121.7-19.1-172.9-62.20000114.5L140 N141L140-V143 VanDerWaalsContact O-CG2 3.31Å; L140-V143 WeakPolarHBondContact O-CG2 3.38Å; L140-V143 PolarHBondContact O-N 3.25Å; N141-V143 VanDerWaalsContact C-N 3.34Å
144Y97.1Very high97.5Very high94 Ų9440.6 Ų40.637%0.36922%0.215SC..SBendtrans-96.43.4-175.3-73.2-68.6000115.7D105 R106 H135 L140D105-Y144 WeakPolarHBondContact CB-O 3.4Å; D105-Y144 VanDerWaalsContact CG-CB 3.45Å; R106-Y144 VanDerWaalsContact CZ-CE1 3.49Å; R106-Y144 PolarHBondContact N-O 2.86Å; R106-Y144 VanDerWaalsContact NH2-CD1 3.34Å; H135-Y144 AromaticContact CE1-CD2 3.71Å; H135-Y144 AromaticContact CE1-CG 3.64Å; L140-Y144 HydrophobicContact CB-CD2 4.25Å; L140-Y144 HydrophobicContact CD1-CD2 3.74Å; L140-Y144 HydrophobicContact CD1-CE2 3.34Å; L140-Y144 VanDerWaalsContact O-CD2 3.27Å; L140-Y144 WeakPolarHBondContact O-CD2 3.25Å; L140-Y144 PolarHBondContact O-N 3.33Å; L140-Y144 VanDerWaalsContact O-N 3.09Å
145G96.5Very high97.4Very high29 Ų2947.4 Ų47.430%0.29925%0.246SC..SBendtrans132.1-26.9163.800000115.4D105 A148 E149D105-G145 PolarHBondContact OD1-N 3.48Å; G145-A148 PolarHBondContact O-N 2.79Å; G145-E149 WeakPolarHBondContact O-CB 3.25Å; G145-E149 PolarHBondContact O-N 3.45Å
146F98.5Very high97.3Very high0 Ų049.3 Ų49.30%026%0.257CS..Hα-helixtrans-65.7-47.6-172.8-176.7-136.1000112.2V104 D105 S110 V114 N141 A148 E149 I150 W160 F163 F167V104-F146 HydrophobicContact CB-CB 4Å; V104-F146 HydrophobicContact CB-CD1 4.05Å; V104-F146 HydrophobicContact CB-CD2 3.99Å; V104-F146 HydrophobicContact CB-CE2 4.46Å; V104-F146 HydrophobicContact CB-CG 3.75Å; V104-F146 HydrophobicContact CG1-CD1 4.1Å; V104-F146 HydrophobicContact CG1-CD2 4.01Å; V104-F146 HydrophobicContact CG1-CE1 4.08Å; V104-F146 HydrophobicContact CG1-CE2 3.97Å; V104-F146 HydrophobicContact CG1-CG 4.07Å; V104-F146 HydrophobicContact CG1-CZ 4.01Å; V104-F146 HydrophobicContact CG2-CB 4.14Å; V104-F146 HydrophobicContact CG2-CD1 4.01Å; V104-F146 HydrophobicContact CG2-CG 4.07Å; D105-F146 WeakPolarHBondContact OD1-CB 3.4Å; D105-F146 PolarHBondContact OD1-N 2.94Å; S110-F146 VanDerWaalsContact CB-CD2 3.46Å; V114-F146 HydrophobicContact CG1-CZ 4.4Å; N141-F146 HydrophobicContact CB-CB 4Å; N141-F146 HydrophobicContact CB-CD1 4.11Å; F146-A148 VanDerWaalsContact C-N 3.31Å; F146-A148 PolarHBondContact O-N 3.42Å; F146-E149 WeakPolarHBondContact O-CB 3.48Å; F146-E149 PolarHBondContact O-N 3.42Å; F146-E149 VanDerWaalsContact O-N 3.17Å; F146-I150 HydrophobicContact CD2-CD1 4.38Å; F146-I150 HydrophobicContact CD2-CG1 3.95Å; F146-I150 HydrophobicContact CE2-CD1 3.7Å; F146-I150 HydrophobicContact CE2-CG1 3.63Å; F146-I150 HydrophobicContact CZ-CD1 4.14Å; F146-I150 HydrophobicContact CZ-CG1 3.97Å; F146-I150 WeakPolarHBondContact O-CG1 3.48Å; F146-I150 PolarHBondContact O-N 2.81Å; F146-W160 AromaticContact CD1-CD1 3.87Å; F146-F163 HydrophobicContact CE1-CB 3.83Å; F146-F163 HydrophobicContact CE1-CD2 4.2Å; F146-F163 HydrophobicContact CE1-CG 4.03Å; F146-F163 HydrophobicContact CZ-CB 4.06Å; F146-F163 HydrophobicContact CZ-CD1 4.23Å; F146-F163 AromaticContact CZ-CD2 3.64Å; F146-F163 HydrophobicContact CZ-CD2 3.64Å; F146-F163 HydrophobicContact CZ-CE2 4.1Å; F146-F163 AromaticContact CZ-CG 3.72Å; F146-F163 HydrophobicContact CZ-CG 3.72Å; F146-F167 HydrophobicContact CD1-CE2 4.41Å; F146-F167 AromaticContact CE1-CE2 3.85Å; F146-F167 HydrophobicContact CE1-CE2 3.85Å; F146-F167 HydrophobicContact CE1-CZ 4.26Å
147K98.5Very high97.2Very high65 Ų6552.4 Ų52.428%0.28328%0.277SS..Hα-helixtrans-57.3-45.4175-174.5174.7-173.8168.10111.9N141 E149 I150 L151 W160N141-K147 WeakPolarHBondContact O-CB 3.47Å; N141-K147 PolarHBondContact O-N 3.02Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 PolarHBondContact O-N 2.92Å; K147-I150 PolarHBondContact O-N 3.21Å; K147-L151 HydrophobicContact CG-CD1 3.91Å; K147-L151 HydrophobicContact CG-CG 4.35Å; K147-L151 WeakPolarHBondContact O-CB 3.47Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.36Å; K147-L151 PolarHBondContact O-N 3.34Å; K147-W160 HydrophobicContact CB-CD2 4.16Å; K147-W160 HydrophobicContact CB-CG 4.17Å; K147-W160 HydrophobicContact CB-CZ2 4.33Å; K147-W160 HydrophobicContact CD-CD2 3.98Å; K147-W160 HydrophobicContact CD-CE3 4.1Å; K147-W160 HydrophobicContact CD-CH2 3.87Å; K147-W160 HydrophobicContact CD-CZ2 3.75Å; K147-W160 HydrophobicContact CD-CZ3 4.06Å; K147-W160 HydrophobicContact CG-CD2 3.79Å; K147-W160 HydrophobicContact CG-CE3 4.27Å; K147-W160 HydrophobicContact CG-CG 4.03Å; K147-W160 HydrophobicContact CG-CZ2 4.29Å
148A98Very high97.2Very high64 Ų6456 Ų5653%0.52930%0.296SS..Hα-helixtrans-63.7-39.8177.700000111.8G145 F146 R152G145-A148 PolarHBondContact O-N 2.79Å; F146-A148 VanDerWaalsContact C-N 3.31Å; F146-A148 PolarHBondContact O-N 3.42Å; A148-R152 WeakPolarHBondContact O-CB 3.1Å; A148-R152 PolarHBondContact O-N 2.81Å
149E97.2Very high97.2Very high11 Ų1152 Ų525%0.05128%0.278CS..Hα-helixtrans-59.8-50.8174.3-171.6-168.1138.800111.1S110 L111 G145 F146 K147 R152 R153S110-E149 WeakPolarHBondContact CA-OE2 3.5Å; S110-E149 WeakPolarHBondContact CB-OE2 3.41Å; S110-E149 PolarHBondContact N-OE1 3Å; S110-E149 PolarHBondContact N-OE2 2.79Å; S110-E149 PolarHBondContact OG-OE2 3.15Å; S110-E149 VanDerWaalsContact OG-OE2 3.11Å; L111-E149 WeakPolarHBondContact CB-OE1 3.37Å; L111-E149 PolarHBondContact N-OE1 3.06Å; G145-E149 WeakPolarHBondContact O-CB 3.25Å; G145-E149 PolarHBondContact O-N 3.45Å; F146-E149 WeakPolarHBondContact O-CB 3.48Å; F146-E149 PolarHBondContact O-N 3.42Å; F146-E149 VanDerWaalsContact O-N 3.17Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 PolarHBondContact O-N 2.92Å; E149-R152 PolarHBondContact O-N 3.11Å; E149-R153 WeakPolarHBondContact O-CB 3.36Å; E149-R153 WeakPolarHBondContact O-CD 3.33Å; E149-R153 WeakPolarHBondContact O-CG 3.36Å; E149-R153 PolarHBondContact O-N 2.85Å; E149-R153 VanDerWaalsContact O-N 3.15Å; E149-R153 IonicContact OE1-NH1 3.97Å; E149-R153 PolarHBondContact OE1-NH1 3Å
150I98Very high97.3Very high0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-63.7-48.3-178.9-64.8-59.6000111.3L111 F146 K147 R152 R153 Y154 V159 W160 F163L111-I150 HydrophobicContact CB-CD1 4.22Å; L111-I150 HydrophobicContact CD1-CD1 3.91Å; L111-I150 HydrophobicContact CG-CD1 4.49Å; F146-I150 HydrophobicContact CD2-CD1 4.38Å; F146-I150 HydrophobicContact CD2-CG1 3.95Å; F146-I150 HydrophobicContact CE2-CD1 3.7Å; F146-I150 HydrophobicContact CE2-CG1 3.63Å; F146-I150 HydrophobicContact CZ-CD1 4.14Å; F146-I150 HydrophobicContact CZ-CG1 3.97Å; F146-I150 WeakPolarHBondContact O-CG1 3.48Å; F146-I150 PolarHBondContact O-N 2.81Å; K147-I150 PolarHBondContact O-N 3.21Å; I150-R152 PolarHBondContact O-N 3.21Å; I150-R153 PolarHBondContact O-N 3.47Å; I150-R153 VanDerWaalsContact O-N 3.13Å; I150-Y154 HydrophobicContact CG2-CD2 4.33Å; I150-Y154 PolarHBondContact O-N 3.34Å; I150-V159 HydrophobicContact CD1-CG1 4.48Å; I150-V159 HydrophobicContact CG2-CB 3.64Å; I150-V159 HydrophobicContact CG2-CG1 3.58Å; I150-W160 HydrophobicContact CB-CB 4.19Å; I150-W160 HydrophobicContact CG2-CB 3.88Å; I150-F163 HydrophobicContact CD1-CD2 4.47Å; I150-F163 HydrophobicContact CD1-CE2 4.08Å
151L97.3Very high97.3Very high62 Ų6251.4 Ų51.433%0.32527%0.269SS..Hα-helixtrans-61.7-42.2179.5-71.7176.6000112.2K147 R153 E155 P157K147-L151 HydrophobicContact CG-CD1 3.91Å; K147-L151 HydrophobicContact CG-CG 4.35Å; K147-L151 WeakPolarHBondContact O-CB 3.47Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.36Å; K147-L151 PolarHBondContact O-N 3.34Å; L151-R153 PolarHBondContact O-N 3.17Å; L151-E155 VanDerWaalsContact O-CA 3.26Å; L151-E155 WeakPolarHBondContact O-CA 3.29Å; L151-E155 PolarHBondContact O-N 3.31Å; L151-P157 HydrophobicContact CD2-CB 3.9Å
152R96.3Very high97.4Very high139 Ų13953.1 Ų53.153%0.52528%0.277SS..Hα-helixtrans-62.3-33.1176.4-179.2-176.962.982.5-0.3112.4A148 E149 I150A148-R152 WeakPolarHBondContact O-CB 3.1Å; A148-R152 PolarHBondContact O-N 2.81Å; E149-R152 PolarHBondContact O-N 3.11Å; I150-R152 PolarHBondContact O-N 3.21Å
153R95.4Very high97.4Very high1 Ų151.1 Ų51.10%0.00426%0.263CS..Hα-helixtrans-87.3-38.8-174-69.9175.481.3164.910.2112.6E36 R37 Q38 E112 E149 I150 L151E36-R153 PolarHBondContact O-NH2 3.26Å; R37-R153 WeakPolarHBondContact O-CB 3.45Å; R37-R153 PolarHBondContact O-NE 3.14Å; Q38-R153 VanDerWaalsContact CG-O 3.32Å; Q38-R153 WeakPolarHBondContact CG-O 3.13Å; Q38-R153 PolarHBondContact NE2-O 2.9Å; E112-R153 VanDerWaalsContact CD-NH1 3.33Å; E112-R153 IonicContact OE1-CZ 3.18Å; E112-R153 IonicContact OE1-NH1 2.81Å; E112-R153 PolarHBondContact OE1-NH1 3Å; E112-R153 IonicContact OE1-NH2 2.95Å; E112-R153 PolarHBondContact OE1-NH2 3.28Å; E112-R153 IonicContact OE2-CZ 2.8Å; E112-R153 IonicContact OE2-NH1 2.69Å; E112-R153 PolarHBondContact OE2-NH1 2.67Å; E112-R153 IonicContact OE2-NH2 3.39Å; E149-R153 WeakPolarHBondContact O-CB 3.36Å; E149-R153 WeakPolarHBondContact O-CD 3.33Å; E149-R153 WeakPolarHBondContact O-CG 3.36Å; E149-R153 PolarHBondContact O-N 2.85Å; E149-R153 VanDerWaalsContact O-N 3.15Å; E149-R153 IonicContact OE1-NH1 3.97Å; E149-R153 PolarHBondContact OE1-NH1 3Å; I150-R153 PolarHBondContact O-N 3.47Å; I150-R153 VanDerWaalsContact O-N 3.13Å; L151-R153 PolarHBondContact O-N 3.17Å
154Y96.5Very high97.4Very high17 Ų1746.1 Ų46.17%0.06723%0.233CC..Hα-helixtrans-114.5-18.8-171.8-67.6-82.1000114.7Q38 F40 V42 I45 L111 I150 D156 V159Q38-Y154 HydrophobicContact CB-CE1 3.94Å; Q38-Y154 HydrophobicContact CG-CD1 3.99Å; Q38-Y154 HydrophobicContact CG-CE1 3.65Å; F40-Y154 VanDerWaalsContact O-CE1 3.3Å; F40-Y154 WeakPolarHBondContact O-CE1 3.26Å; F40-Y154 PolarHBondContact O-OH 3.44Å; V42-Y154 HydrophobicContact CG2-CD1 3.96Å; I45-Y154 HydrophobicContact CD1-CE1 3.93Å; I45-Y154 HydrophobicContact CD1-CE2 3.92Å; L111-Y154 HydrophobicContact CD2-CE2 3.67Å; L111-Y154 WeakPolarHBondContact CD2-OH 3.42Å; I150-Y154 HydrophobicContact CG2-CD2 4.33Å; I150-Y154 PolarHBondContact O-N 3.34Å; Y154-D156 PolarHBondContact O-N 3.46Å; Y154-V159 HydrophobicContact CD2-CG1 4.26Å; Y154-V159 HydrophobicContact CG-CG1 4.5Å; Y154-V159 HydrophobicContact CG-CG2 4.23Å
155E95.4Very high97.5Very high146 Ų14646.8 Ų46.868%0.68224%0.239SC*.SBendtrans57.615.3-175.8-60.6169-146.400113.4R37 L151R37-E155 IonicContact NH2-OE1 3.23Å; R37-E155 PolarHBondContact NH2-OE1 2.95Å; L151-E155 VanDerWaalsContact O-CA 3.26Å; L151-E155 WeakPolarHBondContact O-CA 3.29Å; L151-E155 PolarHBondContact O-N 3.31Å
156D96.5Very high97.6Very high51 Ų5145.5 Ų45.527%0.27323%0.225SC..  trans-122.2111.4178.9179.44.8000110.2Y154 N158 V159Y154-D156 PolarHBondContact O-N 3.46Å; D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 WeakPolarHBondContact OD1-CA 3.41Å; D156-N158 WeakPolarHBondContact OD1-CB 3.04Å; D156-N158 PolarHBondContact OD1-N 3.2Å; D156-V159 HydrophobicContact CB-CG2 4.09Å; D156-V159 PolarHBondContact O-N 2.91Å
157P96.4Very high97.6Very high65 Ų6545.5 Ų45.542%0.42223%0.225SC..Hα-helixtrans-64.1-20176.926.8-34.2000113.3L151 V159 W160 K161L151-P157 HydrophobicContact CD2-CB 3.9Å; P157-V159 VanDerWaalsContact C-N 3.28Å; P157-V159 PolarHBondContact O-N 3.03Å; P157-W160 PolarHBondContact O-N 3.42Å; P157-K161 PolarHBondContact O-N 3.09Å
158N97.8Very high97.6Very high78 Ų7843.3 Ų43.342%0.41722%0.217SC..Hα-helixtrans-69.7-27-178-15142.2000112.3D156 W160 K161 Q162D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 WeakPolarHBondContact OD1-CA 3.41Å; D156-N158 WeakPolarHBondContact OD1-CB 3.04Å; D156-N158 PolarHBondContact OD1-N 3.2Å; N158-W160 VanDerWaalsContact C-N 3.34Å; N158-W160 PolarHBondContact O-N 3.19Å; N158-K161 PolarHBondContact O-N 2.95Å; N158-Q162 VanDerWaalsContact O-CG 3.27Å; N158-Q162 WeakPolarHBondContact O-CG 3.49Å; N158-Q162 PolarHBondContact O-N 3.18Å; N158-Q162 PolarHBondContact O-NE2 3.34Å
159V98.3Very high97.7Very high0 Ų043.3 Ų43.30%020%0.203CC..Hα-helixtrans-60.2-45.6173.1179.70000110.7V42 I45 I150 Y154 D156 P157 Q162 F163V42-V159 HydrophobicContact CB-CG2 4.45Å; V42-V159 HydrophobicContact CG1-CG2 3.97Å; V42-V159 HydrophobicContact CG2-CG2 3.91Å; I45-V159 HydrophobicContact CD1-CG1 3.85Å; I45-V159 HydrophobicContact CG2-CG1 4.07Å; I150-V159 HydrophobicContact CD1-CG1 4.48Å; I150-V159 HydrophobicContact CG2-CB 3.64Å; I150-V159 HydrophobicContact CG2-CG1 3.58Å; Y154-V159 HydrophobicContact CD2-CG1 4.26Å; Y154-V159 HydrophobicContact CG-CG1 4.5Å; Y154-V159 HydrophobicContact CG-CG2 4.23Å; D156-V159 HydrophobicContact CB-CG2 4.09Å; D156-V159 PolarHBondContact O-N 2.91Å; P157-V159 VanDerWaalsContact C-N 3.28Å; P157-V159 PolarHBondContact O-N 3.03Å; V159-Q162 PolarHBondContact O-N 2.83Å; V159-F163 HydrophobicContact CG1-CD2 4.47Å; V159-F163 HydrophobicContact CG1-CE2 4.14Å; V159-F163 VanDerWaalsContact O-CD2 3.28Å; V159-F163 WeakPolarHBondContact O-CD2 3.39Å; V159-F163 PolarHBondContact O-N 3.18Å
160W98.6Very high97.7Very high7 Ų742.9 Ų42.93%0.02720%0.201CC..Hα-helixtrans-69-36.5178.2170.475.7000112.1E138 N141 F146 K147 I150 P157 N158 F163 N164E138-W160 HydrophobicContact CG-CH2 3.21Å; E138-W160 HydrophobicContact CG-CZ2 3.42Å; E138-W160 VanDerWaalsContact CG-CZ2 3.42Å; E138-W160 HydrophobicContact CG-CZ3 4.15Å; E138-W160 VanDerWaalsContact OE1-CH2 3.23Å; E138-W160 WeakPolarHBondContact OE1-CH2 3.49Å; N141-W160 WeakPolarHBondContact OD1-CZ2 3.24Å; N141-W160 PolarHBondContact OD1-NE1 2.83Å; F146-W160 AromaticContact CD1-CD1 3.87Å; K147-W160 HydrophobicContact CB-CD2 4.16Å; K147-W160 HydrophobicContact CB-CG 4.17Å; K147-W160 HydrophobicContact CB-CZ2 4.33Å; K147-W160 HydrophobicContact CD-CD2 3.98Å; K147-W160 HydrophobicContact CD-CE3 4.1Å; K147-W160 HydrophobicContact CD-CH2 3.87Å; K147-W160 HydrophobicContact CD-CZ2 3.75Å; K147-W160 HydrophobicContact CD-CZ3 4.06Å; K147-W160 HydrophobicContact CG-CD2 3.79Å; K147-W160 HydrophobicContact CG-CE3 4.27Å; K147-W160 HydrophobicContact CG-CG 4.03Å; K147-W160 HydrophobicContact CG-CZ2 4.29Å; I150-W160 HydrophobicContact CB-CB 4.19Å; I150-W160 HydrophobicContact CG2-CB 3.88Å; P157-W160 PolarHBondContact O-N 3.42Å; N158-W160 VanDerWaalsContact C-N 3.34Å; N158-W160 PolarHBondContact O-N 3.19Å; W160-F163 PolarHBondContact O-N 3.28Å; W160-N164 PolarHBondContact NE1-ND2 3.39Å; W160-N164 PolarHBondContact O-N 3.1Å; W160-N164 PolarHBondContact O-ND2 3.31Å
161K98.4Very high97.8Very high102 Ų10242.9 Ų42.944%0.44320%0.201SC..Hα-helixtrans-61.1-43.5173.9-69.6-179.4179.5-177.70112P157 N158 F163 N164 E165P157-K161 PolarHBondContact O-N 3.09Å; N158-K161 PolarHBondContact O-N 2.95Å; K161-F163 VanDerWaalsContact C-N 3.31Å; K161-F163 PolarHBondContact O-N 3.31Å; K161-N164 PolarHBondContact O-N 3.09Å; K161-N164 VanDerWaalsContact O-N 3.09Å; K161-E165 WeakPolarHBondContact O-CG 3.3Å; K161-E165 PolarHBondContact O-N 3.37Å
162Q98.4Very high97.8Very high36 Ų3640 Ų4017%0.16819%0.186CC..Hα-helixtrans-60.6-38.1178.4-72.517056.600112.7C49 N158 V159 M166C49-Q162 HydrophobicContact CB-CB 4.46Å; N158-Q162 VanDerWaalsContact O-CG 3.27Å; N158-Q162 WeakPolarHBondContact O-CG 3.49Å; N158-Q162 PolarHBondContact O-N 3.18Å; N158-Q162 PolarHBondContact O-NE2 3.34Å; V159-Q162 PolarHBondContact O-N 2.83Å; Q162-M166 WeakPolarHBondContact O-CB 3.49Å; Q162-M166 PolarHBondContact O-N 3.38Å; Q162-M166 VanDerWaalsContact O-N 3.15Å
163F98.8Very high97.9Very high0 Ų033.4 Ų33.40%016%0.161CC..Hα-helixtrans-63.3-46.1172.3-79.8-69.2000111.9I45 C49 L111 V114 M115 L118 F146 I150 V159 W160 K161 M166 F167I45-F163 HydrophobicContact CG2-CD2 4.36Å; I45-F163 HydrophobicContact CG2-CE1 4.42Å; I45-F163 HydrophobicContact CG2-CE2 3.54Å; I45-F163 HydrophobicContact CG2-CZ 3.57Å; C49-F163 VanDerWaalsContact SG-CD1 3.58Å; L111-F163 HydrophobicContact CD1-CE2 3.83Å; L111-F163 HydrophobicContact CD1-CZ 3.64Å; V114-F163 HydrophobicContact CG1-CD1 4.13Å; V114-F163 HydrophobicContact CG1-CE1 3.56Å; V114-F163 HydrophobicContact CG1-CZ 4.01Å; V114-F163 HydrophobicContact CG2-CD1 4.43Å; V114-F163 HydrophobicContact CG2-CE1 4.36Å; M115-F163 HydrophobicContact CG-CZ 4.21Å; M115-F163 HydrophobicContact SD-CE1 3.98Å; M115-F163 HydrophobicContact SD-CZ 3.76Å; L118-F163 HydrophobicContact CD1-CD1 4.46Å; L118-F163 HydrophobicContact CD1-CE1 4.09Å; F146-F163 HydrophobicContact CE1-CB 3.83Å; F146-F163 HydrophobicContact CE1-CD2 4.2Å; F146-F163 HydrophobicContact CE1-CG 4.03Å; F146-F163 HydrophobicContact CZ-CB 4.06Å; F146-F163 HydrophobicContact CZ-CD1 4.23Å; F146-F163 AromaticContact CZ-CD2 3.64Å; F146-F163 HydrophobicContact CZ-CD2 3.64Å; F146-F163 HydrophobicContact CZ-CE2 4.1Å; F146-F163 AromaticContact CZ-CG 3.72Å; F146-F163 HydrophobicContact CZ-CG 3.72Å; I150-F163 HydrophobicContact CD1-CD2 4.47Å; I150-F163 HydrophobicContact CD1-CE2 4.08Å; V159-F163 HydrophobicContact CG1-CD2 4.47Å; V159-F163 HydrophobicContact CG1-CE2 4.14Å; V159-F163 VanDerWaalsContact O-CD2 3.28Å; V159-F163 WeakPolarHBondContact O-CD2 3.39Å; V159-F163 PolarHBondContact O-N 3.18Å; W160-F163 PolarHBondContact O-N 3.28Å; K161-F163 VanDerWaalsContact C-N 3.31Å; K161-F163 PolarHBondContact O-N 3.31Å; F163-M166 HydrophobicContact CD1-CE 4.09Å; F163-M166 PolarHBondContact O-N 2.79Å; F163-F167 HydrophobicContact CB-CE2 4.1Å; F163-F167 HydrophobicContact CB-CZ 4.38Å; F163-F167 HydrophobicContact CD1-CZ 4.46Å; F163-F167 WeakPolarHBondContact O-CD2 3.2Å; F163-F167 WeakPolarHBondContact O-CG 3.4Å; F163-F167 PolarHBondContact O-N 3.11Å
164N98.8Very high98.1Very high2 Ų233.3 Ų33.31%0.01116%0.161CC..Hα-helixtrans-66-40.2179.6-77.4-71.2000112.8E138 N141 W160 K161 M166 F167 N168E138-N164 VanDerWaalsContact CA-OD1 3.23Å; E138-N164 WeakPolarHBondContact CA-OD1 3.49Å; E138-N164 HydrophobicContact CB-CB 4.38Å; E138-N164 HydrophobicContact CG-CB 4.45Å; E138-N164 PolarHBondContact N-OD1 3.36Å; N141-N164 PolarHBondContact ND2-OD1 2.98Å; N141-N164 PolarHBondContact OD1-ND2 2.96Å; N141-N164 PolarHBondContact OD1-OD1 3.39Å; W160-N164 PolarHBondContact NE1-ND2 3.39Å; W160-N164 PolarHBondContact O-N 3.1Å; W160-N164 PolarHBondContact O-ND2 3.31Å; K161-N164 PolarHBondContact O-N 3.09Å; K161-N164 VanDerWaalsContact O-N 3.09Å; N164-M166 PolarHBondContact O-N 2.78Å; N164-F167 PolarHBondContact O-N 3.08Å; N164-N168 PolarHBondContact O-N 3.1Å; N164-N168 PolarHBondContact O-ND2 3.33Å; N164-N168 PolarHBondContact O-OD1 2.91Å
165E98.5Very high98.2Very high107 Ų10732.5 Ų32.550%0.516%0.158SC..Hα-helixtrans-57.3-40172.7-76.3-177.9-167.500111.8K161 W169K161-E165 WeakPolarHBondContact O-CG 3.3Å; K161-E165 PolarHBondContact O-N 3.37Å; E165-W169 VanDerWaalsContact O-CD1 3.24Å
166M98.7Very high98.4Very high2 Ų225.6 Ų25.61%0.0113%0.126CC..Hα-helixtrans-71.2-44.2174.6176.5-79.8-58.800112.1C49 A52 K53 F56 L118 Q162 F163 N164 N168 W169 M170C49-M166 HydrophobicContact CB-CB 4.22Å; C49-M166 WeakPolarHBondContact O-CG 3.23Å; A52-M166 HydrophobicContact CB-CG 3.97Å; A52-M166 HydrophobicContact CB-SD 4.32Å; K53-M166 HydrophobicContact CB-CB 4.34Å; K53-M166 HydrophobicContact CB-CG 4.19Å; F56-M166 HydrophobicContact CD2-CG 4.46Å; F56-M166 HydrophobicContact CD2-SD 3.97Å; F56-M166 HydrophobicContact CE2-CG 4.5Å; F56-M166 HydrophobicContact CE2-SD 3.56Å; F56-M166 VanDerWaalsContact CE2-SD 3.56Å; L118-M166 HydrophobicContact CD1-CE 3.57Å; L118-M166 HydrophobicContact CD1-SD 4.49Å; L118-M166 HydrophobicContact CD2-CE 3.83Å; L118-M166 HydrophobicContact CD2-SD 3.86Å; L118-M166 HydrophobicContact CG-CE 4.29Å; Q162-M166 WeakPolarHBondContact O-CB 3.49Å; Q162-M166 PolarHBondContact O-N 3.38Å; Q162-M166 VanDerWaalsContact O-N 3.15Å; F163-M166 HydrophobicContact CD1-CE 4.09Å; F163-M166 PolarHBondContact O-N 2.79Å; N164-M166 PolarHBondContact O-N 2.78Å; M166-N168 PolarHBondContact O-N 3.27Å; M166-W169 WeakPolarHBondContact O-CB 3.12Å; M166-W169 PolarHBondContact O-N 2.85Å; M166-M170 HydrophobicContact SD-CG 4.5Å
167F98.8Very high98.4Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-58.7-33178.8-69.8-29000113.1V104 V114 R132 E136 F146 F163 N164 W169 M170V104-F167 HydrophobicContact CG1-CE2 4.45Å; V104-F167 HydrophobicContact CG1-CZ 3.96Å; V114-F167 HydrophobicContact CG2-CE1 3.72Å; V114-F167 HydrophobicContact CG2-CZ 3.84Å; R132-F167 VanDerWaalsContact CZ-O 3.29Å; R132-F167 PolarHBondContact NE-O 2.92Å; E136-F167 HydrophobicContact CB-CB 4.09Å; E136-F167 HydrophobicContact CB-CD1 4.19Å; E136-F167 HydrophobicContact CB-CD2 4.07Å; E136-F167 HydrophobicContact CB-CG 3.89Å; E136-F167 HydrophobicContact CG-CD1 3.74Å; E136-F167 HydrophobicContact CG-CD2 4.05Å; E136-F167 HydrophobicContact CG-CE1 3.75Å; E136-F167 HydrophobicContact CG-CE2 4.08Å; E136-F167 HydrophobicContact CG-CG 3.89Å; E136-F167 HydrophobicContact CG-CZ 3.93Å; E136-F167 WeakPolarHBondContact O-CB 3.32Å; F146-F167 HydrophobicContact CD1-CE2 4.41Å; F146-F167 AromaticContact CE1-CE2 3.85Å; F146-F167 HydrophobicContact CE1-CE2 3.85Å; F146-F167 HydrophobicContact CE1-CZ 4.26Å; F163-F167 HydrophobicContact CB-CE2 4.1Å; F163-F167 HydrophobicContact CB-CZ 4.38Å; F163-F167 HydrophobicContact CD1-CZ 4.46Å; F163-F167 WeakPolarHBondContact O-CD2 3.2Å; F163-F167 WeakPolarHBondContact O-CG 3.4Å; F163-F167 PolarHBondContact O-N 3.11Å; N164-F167 PolarHBondContact O-N 3.08Å; F167-W169 PolarHBondContact O-N 2.86Å; F167-M170 HydrophobicContact CD1-SD 3.58Å; F167-M170 VanDerWaalsContact CD1-SD 3.58Å; F167-M170 HydrophobicContact CE1-SD 4.24Å; F167-M170 HydrophobicContact CG-SD 4.46Å; F167-M170 WeakPolarHBondContact O-CB 3.32Å; F167-M170 WeakPolarHBondContact O-CG 3.38Å; F167-M170 PolarHBondContact O-N 2.85Å
168N98.6Very high98.5Very high20 Ų2031.7 Ų31.711%0.10714%0.139CC..THydrogen-bonded Turntrans-59.1-21176.4-67.5-21000113.3R132 N164 M166 P203 M204 S205R132-N168 PolarHBondContact NH2-OD1 2.84Å; N164-N168 PolarHBondContact O-N 3.1Å; N164-N168 PolarHBondContact O-ND2 3.33Å; N164-N168 PolarHBondContact O-OD1 2.91Å; M166-N168 PolarHBondContact O-N 3.27Å; N168-P203 HydrophobicContact CB-CB 3.72Å; N168-P203 CarbonylContact O-C 3.55Å; N168-P203 VanDerWaalsContact O-CA 3.26Å; N168-P203 WeakPolarHBondContact O-CA 3.41Å; N168-M204 PolarHBondContact O-N 2.98Å; N168-M204 PolarHBondContact OD1-O 3.42Å; N168-M204 VanDerWaalsContact OD1-O 3.12Å; N168-S205 WeakPolarHBondContact OD1-CA 3.49Å
169W98.6Very high98.5Very high63 Ų6331.1 Ų31.124%0.23913%0.131CC..THydrogen-bonded Turntrans-93-1.3176.2-68.388000113.8K53 F56 A57 E165 M166 F167 R202 P203K53-W169 HydrophobicContact CG-CB 4.37Å; K53-W169 HydrophobicContact CG-CD2 4.42Å; K53-W169 HydrophobicContact CG-CG 3.8Å; F56-W169 HydrophobicContact CB-CB 3.98Å; F56-W169 WeakPolarHBondContact CB-O 3.47Å; A57-W169 HydrophobicContact CB-CD2 4.05Å; A57-W169 HydrophobicContact CB-CE3 3.47Å; A57-W169 VanDerWaalsContact CB-CE3 3.47Å; A57-W169 HydrophobicContact CB-CH2 4.32Å; A57-W169 HydrophobicContact CB-CZ3 3.63Å; E165-W169 VanDerWaalsContact O-CD1 3.24Å; M166-W169 WeakPolarHBondContact O-CB 3.12Å; M166-W169 PolarHBondContact O-N 2.85Å; F167-W169 PolarHBondContact O-N 2.86Å; W169-R202 HydrophobicContact CE3-CB 3.99Å; W169-R202 HydrophobicContact CZ3-CB 4.44Å; W169-R202 WeakPolarHBondContact CZ3-O 3.08Å; W169-R202 WeakPolarHBondContact O-CD 3.23Å; W169-R202 PolarHBondContact O-NH1 3.09Å; W169-P203 HydrophobicContact CD2-CB 4.13Å; W169-P203 HydrophobicContact CG-CB 4.34Å; W169-P203 HydrophobicContact CH2-CG 4.45Å; W169-P203 HydrophobicContact CZ2-CB 4.19Å; W169-P203 VanDerWaalsContact CZ2-CD 3.47Å; W169-P203 HydrophobicContact CZ2-CG 3.84Å
170M98.7Very high98.5Very high2 Ų231.3 Ų31.31%0.0113%0.132CC..  trans-70138.3-176-67.3-172.772.900112.6F56 Y103 L130 L131 R132 E136 M166 F167 R202F56-M170 HydrophobicContact CD2-CG 4.05Å; F56-M170 HydrophobicContact CE1-CE 4.27Å; F56-M170 HydrophobicContact CE1-CG 4.37Å; F56-M170 HydrophobicContact CE2-CE 4.43Å; F56-M170 HydrophobicContact CE2-CG 3.84Å; F56-M170 HydrophobicContact CE2-SD 4.45Å; F56-M170 HydrophobicContact CG-CG 4.43Å; F56-M170 HydrophobicContact CZ-CE 3.82Å; F56-M170 HydrophobicContact CZ-CG 3.99Å; F56-M170 HydrophobicContact CZ-SD 4.41Å; Y103-M170 HydrophobicContact CD2-CE 4.47Å; Y103-M170 HydrophobicContact CE2-CE 3.54Å; Y103-M170 HydrophobicContact CE2-SD 4.34Å; L130-M170 HydrophobicContact CB-CE 3.54Å; L131-M170 WeakPolarHBondContact O-CE 3.2Å; R132-M170 HydrophobicContact CB-CB 3.73Å; R132-M170 HydrophobicContact CG-CB 3.98Å; E136-M170 HydrophobicContact CG-SD 4.26Å; M166-M170 HydrophobicContact SD-CG 4.5Å; F167-M170 HydrophobicContact CD1-SD 3.58Å; F167-M170 VanDerWaalsContact CD1-SD 3.58Å; F167-M170 HydrophobicContact CE1-SD 4.24Å; F167-M170 HydrophobicContact CG-SD 4.46Å; F167-M170 WeakPolarHBondContact O-CB 3.32Å; F167-M170 WeakPolarHBondContact O-CG 3.38Å; F167-M170 PolarHBondContact O-N 2.85Å; M170-R202 VanDerWaalsContact O-CD 3.31Å; M170-R202 WeakPolarHBondContact O-CD 3.48Å
171P98.5Very high98.5Very high0 Ų031 Ų310%013%0.131CC..  trans-60.1151171.8-21.732.8000112.2F56 L63 L131 R132F56-P171 HydrophobicContact CD1-CG 4.38Å; L63-P171 HydrophobicContact CD1-CB 4.02Å; L63-P171 HydrophobicContact CD1-CG 4Å; L63-P171 HydrophobicContact CD2-CB 4.09Å; L63-P171 HydrophobicContact CD2-CG 3.78Å; L63-P171 HydrophobicContact CG-CB 3.74Å; L63-P171 HydrophobicContact CG-CG 3.91Å; L131-P171 CarbonylContact C-O 3.48Å; L131-P171 VanDerWaalsContact CA-O 3.31Å; L131-P171 WeakPolarHBondContact CA-O 3.23Å; L131-P171 HydrophobicContact CD2-CB 4.08Å; R132-P171 PolarHBondContact N-O 3.17Å
172L98.5Very high98.5Very high2 Ų226.1 Ų26.11%0.0111%0.11CC..  trans-99.7-25.4-175.2-58-166000113.9S61 R132 L200 M204 L215 M216S61-L172 PolarHBondContact O-N 3.32Å; R132-L172 HydrophobicContact CB-CD2 3.66Å; R132-L172 HydrophobicContact CG-CD2 4.39Å; L172-L200 HydrophobicContact CD1-CD1 3.56Å; L172-L200 HydrophobicContact CG-CD1 4.36Å; L172-M204 HydrophobicContact CD1-CE 4.43Å; L172-M204 HydrophobicContact CD1-SD 4.19Å; L172-L215 HydrophobicContact CB-CD1 4.18Å; L172-M216 HydrophobicContact CD1-SD 4.31Å; L172-M216 HydrophobicContact CD2-SD 3.74Å
173A98.8Very high98.5Very high0 Ų024.4 Ų24.40%010%0.102CC..EExtended strand (participates in β ladder)trans-145164.7-178.500000112.3S61 L62 L63 L131 L181 C182 M183 I197 L215S61-A173 PolarHBondContact O-N 2.83Å; L62-A173 WeakPolarHBondContact CA-O 3.3Å; L62-A173 HydrophobicContact CD1-CB 3.78Å; L63-A173 PolarHBondContact N-O 2.99Å; L131-A173 WeakPolarHBondContact CD2-O 3.4Å; A173-L181 HydrophobicContact CB-CD1 4.42Å; A173-C182 CarbonylContact C-O 3.43Å; A173-C182 WeakPolarHBondContact CA-O 3.15Å; A173-C182 WeakPolarHBondContact CB-O 3.4Å; A173-M183 HydrophobicContact CB-CB 4.39Å; A173-I197 HydrophobicContact CB-CD1 4.06Å; A173-I197 HydrophobicContact CB-CG2 4.11Å; A173-L215 HydrophobicContact CB-CD1 4.49Å; A173-L215 HydrophobicContact CB-CD2 4.41Å
174A98.9Very high98.5Very high0 Ų024.4 Ų24.40%010%0.102CC..EExtended strand (participates in β ladder)trans-131.3145.5168.500000111.1L63 P65 L98 L131 L181 C182L63-A174 HydrophobicContact CB-CB 4Å; L63-A174 CarbonylContact O-C 3.42Å; L63-A174 WeakPolarHBondContact O-CA 3.34Å; P65-A174 HydrophobicContact CG-CB 4.16Å; L98-A174 HydrophobicContact CD1-CB 3.98Å; L98-A174 HydrophobicContact CD2-CB 3.74Å; L131-A174 HydrophobicContact CD1-CB 4.24Å; L131-A174 HydrophobicContact CD2-CB 4.34Å; A174-L181 CarbonylContact O-C 3.49Å; A174-C182 HydrophobicContact CB-CB 4.28Å; A174-C182 PolarHBondContact N-O 2.97Å; A174-C182 PolarHBondContact O-N 3.22Å
175L98.8Very high98.5Very high0 Ų024.3 Ų24.30%010%0.101CC..EExtended strand (participates in β ladder)trans-123.696.7176.6-177.565.3000109.7L62 L63 K177 R178 I180 L181 W194 I252L62-L175 HydrophobicContact CD1-CB 4.01Å; L62-L175 HydrophobicContact CD2-CB 4.27Å; L62-L175 HydrophobicContact CD2-CD2 4.44Å; L62-L175 HydrophobicContact CG-CB 4.3Å; L63-L175 PolarHBondContact O-N 3.46Å; L175-K177 PolarHBondContact O-N 3.23Å; L175-R178 HydrophobicContact CD2-CB 4.37Å; L175-R178 HydrophobicContact CD2-CG 4.23Å; L175-I180 CarbonylContact C-O 3.59Å; L175-I180 WeakPolarHBondContact CA-O 3.33Å; L175-L181 HydrophobicContact CD1-CB 4.44Å; L175-W194 HydrophobicContact CD1-CH2 4.18Å; L175-W194 HydrophobicContact CD1-CZ2 4.03Å; L175-W194 HydrophobicContact CD2-CD2 3.84Å; L175-W194 HydrophobicContact CD2-CE3 4.41Å; L175-W194 HydrophobicContact CD2-CG 4.03Å; L175-W194 HydrophobicContact CD2-CZ2 4.3Å; L175-I252 HydrophobicContact CD1-CG2 4.06Å
176I98.7Very high98.5Very high0 Ų019.2 Ų19.20%08%0.078CC..EExtended strand (participates in β ladder)trans-78.6118.4-177.2-57.4158.4000108.7P65 P67 L69 I71 L98 R178 R179 I180 V296 L300P65-I176 HydrophobicContact CG-CG1 4.02Å; P67-I176 HydrophobicContact CG-CG2 4.42Å; L69-I176 HydrophobicContact CD1-CD1 4.26Å; L69-I176 HydrophobicContact CD2-CD1 4.05Å; L69-I176 HydrophobicContact CD2-CG1 4.37Å; L69-I176 HydrophobicContact CD2-CG2 4.18Å; I71-I176 HydrophobicContact CD1-CD1 3.76Å; I71-I176 HydrophobicContact CG1-CD1 4.46Å; L98-I176 HydrophobicContact CD2-CD1 4.39Å; I176-R178 PolarHBondContact O-N 2.95Å; I176-R179 PolarHBondContact O-N 3.49Å; I176-I180 HydrophobicContact CB-CB 4.2Å; I176-I180 HydrophobicContact CD1-CB 4.47Å; I176-I180 HydrophobicContact CD1-CG2 4.47Å; I176-I180 PolarHBondContact N-O 3.17Å; I176-I180 PolarHBondContact O-N 3.05Å; I176-I180 VanDerWaalsContact O-N 3.13Å; I176-V296 HydrophobicContact CD1-CG2 4.42Å; I176-L300 HydrophobicContact CG2-CD2 4.14Å
177K97.3Very high98.5Very high106 Ų10619.1 Ų19.146%0.4618%0.077SC..THydrogen-bonded Turntrans50.526.9178.4-73.9-68.2-162-168.60114.1Q66 P67 L175 R179 L300Q66-K177 VanDerWaalsContact OE1-CD 3.23Å; P67-K177 HydrophobicContact CG-CG 3.91Å; L175-K177 PolarHBondContact O-N 3.23Å; K177-R179 WeakPolarHBondContact O-CG 3.25Å; K177-R179 PolarHBondContact O-N 2.71Å; K177-R179 VanDerWaalsContact O-N 3.12Å; K177-L300 HydrophobicContact CB-CD1 3.96Å; K177-L300 HydrophobicContact CB-CD2 3.96Å; K177-L300 HydrophobicContact CG-CD2 4.01Å
178R97Very high98.5Very high138 Ų13819.2 Ų19.252%0.5218%0.078SC..THydrogen-bonded Turntrans58.616.6-175.2-55.4179.762.194.5-0.2114.9L175 I176L175-R178 HydrophobicContact CD2-CB 4.37Å; L175-R178 HydrophobicContact CD2-CG 4.23Å; I176-R178 PolarHBondContact O-N 2.95Å
179R98.2Very high98.4Very high67 Ų6722.1 Ų22.125%0.2539%0.092SC..THydrogen-bonded Turntrans-123.5-23.8-176.9-61.6-48.9-66.6-179.5-5.6114I176 K177 D251 I252 D253 M254 L300I176-R179 PolarHBondContact O-N 3.49Å; K177-R179 WeakPolarHBondContact O-CG 3.25Å; K177-R179 PolarHBondContact O-N 2.71Å; K177-R179 VanDerWaalsContact O-N 3.12Å; R179-D251 IonicContact CZ-OD1 3.19Å; R179-D251 PolarHBondContact NH1-O 3.29Å; R179-D251 IonicContact NH1-OD1 2.88Å; R179-D251 PolarHBondContact NH1-OD1 2.87Å; R179-D251 IonicContact NH1-OD2 3.88Å; R179-D251 PolarHBondContact NH1-OD2 3.5Å; R179-D251 IonicContact NH2-OD1 2.66Å; R179-I252 WeakPolarHBondContact O-CB 3.3Å; R179-D253 WeakPolarHBondContact CB-OD2 3.16Å; R179-D253 IonicContact CZ-OD1 3.69Å; R179-D253 IonicContact CZ-OD2 3.18Å; R179-D253 IonicContact NE-OD1 3.72Å; R179-D253 IonicContact NE-OD2 2.76Å; R179-D253 PolarHBondContact NE-OD2 3.48Å; R179-D253 VanDerWaalsContact NH2-CG 3.29Å; R179-D253 IonicContact NH2-OD1 3.31Å; R179-D253 PolarHBondContact NH2-OD1 2.75Å; R179-D253 IonicContact NH2-OD2 3.97Å; R179-D253 PolarHBondContact NH2-OD2 2.87Å; R179-D253 PolarHBondContact O-N 2.89Å; R179-M254 PolarHBondContact O-N 3.49Å; R179-L300 HydrophobicContact CB-CD1 3.95Å; R179-L300 HydrophobicContact CG-CD1 3.92Å
180I98.7Very high98.3Very high4 Ų424.6 Ų24.62%0.02111%0.106CC..EExtended strand (participates in β ladder)trans-124.2113.5179.6-50.4171.9000108.7L175 I176 M254 V256 V296 L300L175-I180 CarbonylContact C-O 3.59Å; L175-I180 WeakPolarHBondContact CA-O 3.33Å; I176-I180 HydrophobicContact CB-CB 4.2Å; I176-I180 HydrophobicContact CD1-CB 4.47Å; I176-I180 HydrophobicContact CD1-CG2 4.47Å; I176-I180 PolarHBondContact N-O 3.17Å; I176-I180 PolarHBondContact O-N 3.05Å; I176-I180 VanDerWaalsContact O-N 3.13Å; I180-M254 CarbonylContact C-O 3.59Å; I180-M254 VanDerWaalsContact CA-O 3.29Å; I180-M254 WeakPolarHBondContact CA-O 3.25Å; I180-M254 HydrophobicContact CG1-CB 4.42Å; I180-M254 HydrophobicContact CG2-CB 4.3Å; I180-V256 HydrophobicContact CG2-CG2 3.58Å; I180-V296 HydrophobicContact CD1-CG1 3.78Å; I180-V296 HydrophobicContact CD1-CG2 4.32Å; I180-L300 HydrophobicContact CD1-CD2 4.17Å
181L98.8Very high98.3Very high0 Ų024.7 Ų24.70%011%0.107CC..EExtended strand (participates in β ladder)trans-86.6136.5173.5179.162.5000109.4A173 A174 L175 M183 W194 F246 I252 M254 I255 V256A173-L181 HydrophobicContact CB-CD1 4.42Å; A174-L181 CarbonylContact O-C 3.49Å; L175-L181 HydrophobicContact CD1-CB 4.44Å; L181-M183 HydrophobicContact CD1-CE 4.3Å; L181-M183 HydrophobicContact CD2-CE 3.29Å; L181-M183 HydrophobicContact CG-CE 3.51Å; L181-W194 HydrophobicContact CB-CH2 4.37Å; L181-W194 HydrophobicContact CD1-CH2 4.1Å; L181-W194 HydrophobicContact CD1-CZ3 3.63Å; L181-W194 HydrophobicContact CD2-CH2 3.9Å; L181-W194 HydrophobicContact CD2-CZ3 3.83Å; L181-W194 HydrophobicContact CG-CH2 4.35Å; L181-W194 HydrophobicContact CG-CZ3 4.26Å; L181-F246 HydrophobicContact CD2-CE1 3.62Å; L181-F246 HydrophobicContact CD2-CZ 3.83Å; L181-I252 HydrophobicContact CB-CD1 3.66Å; L181-I252 HydrophobicContact CD2-CD1 4.27Å; L181-M254 PolarHBondContact N-O 3.11Å; L181-I255 HydrophobicContact CB-CG1 4.44Å; L181-I255 CarbonylContact O-C 3.5Å; L181-I255 WeakPolarHBondContact O-CA 3.4Å; L181-V256 PolarHBondContact O-N 3.04Å
182C98.9Very high98.2Very high0 Ų027.8 Ų27.80%013%0.125CC..EExtended strand (participates in β ladder)trans-131136.1177.3-51.40000110.8L98 L100 A173 A174 V256L98-C182 HydrophobicContact CD2-CB 3.72Å; L100-C182 HydrophobicContact CD2-CB 3.82Å; A173-C182 CarbonylContact C-O 3.43Å; A173-C182 WeakPolarHBondContact CA-O 3.15Å; A173-C182 WeakPolarHBondContact CB-O 3.4Å; A174-C182 HydrophobicContact CB-CB 4.28Å; A174-C182 PolarHBondContact N-O 2.97Å; A174-C182 PolarHBondContact O-N 3.22Å; C182-V256 VanDerWaalsContact CA-O 3.22Å; C182-V256 WeakPolarHBondContact CA-O 3.24Å
183M98.8Very high98.1Very high0 Ų030.8 Ų30.80%014%0.141CC..EExtended strand (participates in β ladder)trans-154.4179.7174.471.3-73.7-80.300109.3A173 L181 I187 L215 I255 V256 R257A173-M183 HydrophobicContact CB-CB 4.39Å; L181-M183 HydrophobicContact CD1-CE 4.3Å; L181-M183 HydrophobicContact CD2-CE 3.29Å; L181-M183 HydrophobicContact CG-CE 3.51Å; M183-I187 HydrophobicContact CE-CG2 4.27Å; M183-L215 HydrophobicContact CB-CB 4.47Å; M183-L215 HydrophobicContact CB-CD2 3.93Å; M183-L215 HydrophobicContact CE-CD2 3.78Å; M183-L215 HydrophobicContact CG-CD2 4.09Å; M183-L215 WeakPolarHBondContact CG-O 3.35Å; M183-I255 HydrophobicContact CE-CG2 4.33Å; M183-I255 HydrophobicContact SD-CG2 3.8Å; M183-V256 PolarHBondContact N-O 3.37Å; M183-R257 WeakPolarHBondContact O-CA 3.39Å; M183-R257 HydrophobicContact SD-CB 4.16Å
184H98.9Very high98.1Very high0 Ų031.8 Ų31.80%015%0.145CC..SBendtrans-79-60.3175.7-175.462.6000112.4D74 L100 D102 R132 G133 N134 L215 M216 R257 A258 H259D74-H184 IonicContact OD1-CE1 3.68Å; L100-H184 WeakPolarHBondContact O-CA 3.23Å; L100-H184 WeakPolarHBondContact O-CB 3.38Å; L100-H184 VanDerWaalsContact O-CG 3.25Å; L100-H184 PolarHBondContact O-ND1 2.91Å; D102-H184 VanDerWaalsContact CB-CE1 3.49Å; D102-H184 WeakPolarHBondContact CB-CE1 3.4Å; D102-H184 IonicContact OD1-CE1 2.92Å; D102-H184 PolarHBondContact OD1-CE1 2.79Å; D102-H184 IonicContact OD1-NE2 2.7Å; D102-H184 PolarHBondContact OD1-NE2 2.95Å; D102-H184 VanDerWaalsContact OD1-NE2 3.14Å; D102-H184 IonicContact OD2-CE1 3.34Å; D102-H184 PolarHBondContact OD2-CE1 3.22Å; D102-H184 VanDerWaalsContact OD2-CE1 3.26Å; D102-H184 IonicContact OD2-NE2 3.66Å; D102-H184 PolarHBondContact OD2-NE2 2.67Å; R132-H184 WeakPolarHBondContact O-CB 3.46Å; G133-H184 VanDerWaalsContact CA-CD2 3.41Å; G133-H184 WeakPolarHBondContact CA-CD2 3.35Å; G133-H184 VanDerWaalsContact CA-CG 3.45Å; N134-H184 PolarHBondContact N-CD2 3.42Å; N134-H184 PolarHBondContact OD1-NE2 2.94Å; H184-L215 PolarHBondContact N-O 2.71Å; H184-M216 PolarHBondContact CD2-O 3.16Å; H184-R257 PolarHBondContact O-NE 2.96Å; H184-R257 PolarHBondContact O-NH2 3.07Å; H184-A258 CarbonylContact O-C 3.59Å; H184-A258 PolarHBondContact O-N 3.08Å; H184-H259 AromaticContact CD2-CG 3.98Å; H184-H259 AromaticContact CD2-ND1 3.63Å; H184-H259 VanDerWaalsContact CE1-CB 3.44Å; H184-H259 WeakPolarHBondContact CE1-CB 3.49Å; H184-H259 VanDerWaalsContact NE2-CB 3.29Å; H184-H259 WeakPolarHBondContact NE2-CB 3.32Å; H184-H259 AromaticContact NE2-CG 3.6Å; H184-H259 AromaticContact NE2-ND1 3.13Å; H184-H259 PolarHBondContact NE2-ND1 2.83Å; H184-H259 VanDerWaalsContact NE2-ND1 3.13Å
185G98.7Very high98.1Very high0 Ų035.9 Ų35.90%017%0.167CC..SBendtrans-77.4-105-179.300000112L215 A218 R257G185-L215 WeakPolarHBondContact CA-O 3.28Å; G185-L215 PolarHBondContact N-O 3.38Å; G185-A218 CarbonylContact C-O 3.48Å; G185-R257 VanDerWaalsContact O-CB 3.28Å; G185-R257 WeakPolarHBondContact O-CB 3.46Å; G185-R257 WeakPolarHBondContact O-CD 3.25Å; G185-R257 PolarHBondContact O-NE 3.4Å; G185-R257 PolarHBondContact O-NH2 3.38Å; G185-R257 VanDerWaalsContact O-NH2 3.11Å
186G98.3Very high98Very high0 Ų038.6 Ų38.60%018%0.18CC..  trans-158.2-161-177.200000114D214 L215 A218G186-D214 PolarHBondContact N-O 3.34Å; G186-L215 WeakPolarHBondContact O-CA 3.41Å; G186-A218 PolarHBondContact N-O 2.94Å; G186-A218 VanDerWaalsContact N-O 3.15Å
187I98.5Very high98Very high0 Ų038.6 Ų38.60%018%0.18CC..  trans-78.6159.2-179.853.6164.4000111.3M183 W227 F238 A242 V243 F246 I255M183-I187 HydrophobicContact CE-CG2 4.27Å; I187-W227 HydrophobicContact CB-CH2 4.36Å; I187-W227 HydrophobicContact CD1-CH2 3.85Å; I187-W227 HydrophobicContact CD1-CZ2 4.03Å; I187-W227 HydrophobicContact CG1-CH2 3.7Å; I187-W227 HydrophobicContact CG1-CZ2 4.39Å; I187-W227 HydrophobicContact CG1-CZ3 4.43Å; I187-W227 WeakPolarHBondContact O-CH2 3.39Å; I187-W227 WeakPolarHBondContact O-CZ3 3.44Å; I187-F238 HydrophobicContact CD1-CD2 3.97Å; I187-F238 HydrophobicContact CD1-CE2 4.19Å; I187-F238 HydrophobicContact CD1-CG 4.24Å; I187-F238 HydrophobicContact CG1-CD1 3.92Å; I187-F238 HydrophobicContact CG1-CD2 3.88Å; I187-F238 HydrophobicContact CG1-CE1 3.87Å; I187-F238 HydrophobicContact CG1-CE2 3.81Å; I187-F238 HydrophobicContact CG1-CG 3.94Å; I187-F238 HydrophobicContact CG1-CZ 3.81Å; I187-A242 HydrophobicContact CD1-CB 4.47Å; I187-V243 HydrophobicContact CD1-CG2 4.26Å; I187-F246 HydrophobicContact CB-CD1 4.35Å; I187-F246 HydrophobicContact CB-CD2 4.16Å; I187-F246 HydrophobicContact CB-CE1 4.43Å; I187-F246 HydrophobicContact CB-CE2 4.25Å; I187-F246 HydrophobicContact CB-CG 4.2Å; I187-F246 HydrophobicContact CB-CZ 4.38Å; I187-F246 HydrophobicContact CD1-CB 3.8Å; I187-F246 HydrophobicContact CD1-CD2 4.42Å; I187-F246 HydrophobicContact CD1-CG 4.02Å; I187-F246 HydrophobicContact CG2-CD1 3.59Å; I187-F246 HydrophobicContact CG2-CD2 4.26Å; I187-F246 HydrophobicContact CG2-CE1 3.56Å; I187-F246 HydrophobicContact CG2-CE2 4.24Å; I187-F246 HydrophobicContact CG2-CG 3.94Å; I187-F246 HydrophobicContact CG2-CZ 3.9Å; I187-I255 HydrophobicContact CG2-CD1 3.53Å; I187-I255 HydrophobicContact CG2-CG1 4.31Å
188S98.3Very high98Very high2 Ų236.7 Ų36.71%0.01417%0.17CC..  trans-117.3146.4176.8-173.60000111E190 D214S188-E190 PolarHBondContact OG-N 2.86Å; S188-D214 WeakPolarHBondContact CA-OD2 3.38Å; S188-D214 WeakPolarHBondContact CB-OD2 3.28Å; S188-D214 PolarHBondContact OG-OD2 2.58Å
189M95.9Very high98Very high80 Ų8035 Ų3539%0.39418%0.178SC..SBendtrans-65.2-31.2169.2-70.9-178.9-71.400112.3L191 W227 Y236M189-L191 VanDerWaalsContact C-N 3.35Å; M189-W227 HydrophobicContact CB-CZ2 4.42Å; M189-W227 HydrophobicContact CE-CB 4.37Å; M189-W227 HydrophobicContact CE-CD2 4.37Å; M189-W227 HydrophobicContact CE-CE3 4.36Å; M189-W227 HydrophobicContact CE-CG 4.37Å; M189-W227 HydrophobicContact CG-CD2 3.3Å; M189-W227 HydrophobicContact CG-CE3 3.7Å; M189-W227 HydrophobicContact CG-CG 3.73Å; M189-W227 HydrophobicContact CG-CH2 3.88Å; M189-W227 HydrophobicContact CG-CZ2 3.5Å; M189-W227 HydrophobicContact CG-CZ3 3.98Å; M189-W227 HydrophobicContact SD-CB 3.8Å; M189-W227 VanDerWaalsContact SD-CD1 3.59Å; M189-W227 HydrophobicContact SD-CD2 3.64Å; M189-W227 HydrophobicContact SD-CE3 4.2Å; M189-W227 HydrophobicContact SD-CG 3.41Å; M189-Y236 HydrophobicContact CE-CD1 4.08Å; M189-Y236 HydrophobicContact CE-CD2 3.91Å; M189-Y236 HydrophobicContact CE-CE1 4.02Å; M189-Y236 HydrophobicContact CE-CE2 3.84Å; M189-Y236 HydrophobicContact CE-CG 4.04Å
190E97Very high97.9Very high116 Ų11632.1 Ų32.154%0.54217%0.168SC..SBendtrans-86.3-10.8-174.6-61.5-62.7161.900112.3S188 T192 Q196 A210 V211S188-E190 PolarHBondContact OG-N 2.86Å; E190-T192 PolarHBondContact O-N 3.19Å; E190-Q196 PolarHBondContact O-NE2 2.94Å; E190-Q196 PolarHBondContact O-OE1 3.15Å; E190-A210 HydrophobicContact CB-CB 4.33Å; E190-A210 HydrophobicContact CG-CB 3.77Å; E190-V211 HydrophobicContact CB-CG2 3.83Å
191L98.1Very high97.8Very high4 Ų435.6 Ų35.62%0.02119%0.19CC..  trans-81.7102.8178.8179.862.4000110.2M189 N193 W194 Q196 I197 V211 F246 M250M189-L191 VanDerWaalsContact C-N 3.35Å; L191-N193 VanDerWaalsContact CD1-O 3.27Å; L191-N193 WeakPolarHBondContact CD1-O 3.39Å; L191-W194 HydrophobicContact CD2-CZ3 4.35Å; L191-Q196 HydrophobicContact CD1-CB 4.09Å; L191-I197 HydrophobicContact CD1-CD1 4.02Å; L191-I197 HydrophobicContact CD1-CG1 3.71Å; L191-I197 HydrophobicContact CD2-CD1 3.82Å; L191-I197 HydrophobicContact CD2-CG1 4.37Å; L191-V211 HydrophobicContact CB-CG1 4.41Å; L191-V211 HydrophobicContact CB-CG2 4.24Å; L191-V211 HydrophobicContact CD1-CG1 4.18Å; L191-F246 HydrophobicContact CB-CE2 4.23Å; L191-F246 HydrophobicContact CD2-CE2 3.96Å; L191-F246 HydrophobicContact CD2-CZ 3.72Å; L191-F246 HydrophobicContact CG-CE2 4.15Å; L191-F246 HydrophobicContact CG-CZ 4.3Å; L191-M250 HydrophobicContact CG-CE 4.28Å
192T96.8Very high97.7Very high64 Ų6437.7 Ų37.739%0.39320%0.198SC..  trans-114.9-18.2-177.559.60000113.4E190 Q196 Y249E190-T192 PolarHBondContact O-N 3.19Å; T192-Q196 PolarHBondContact OG1-OE1 3.17Å; T192-Q196 VanDerWaalsContact OG1-OE1 3.05Å; T192-Y249 HydrophobicContact CG2-CE1 4.5Å; T192-Y249 WeakPolarHBondContact O-CE1 3.35Å
193N97.2Very high97.6Very high65 Ų6541.1 Ų41.135%0.34822%0.22SC..SBendtrans-149.2154.3175.168.180.2000111.3L191 D195 Q196L191-N193 VanDerWaalsContact CD1-O 3.27Å; L191-N193 WeakPolarHBondContact CD1-O 3.39Å; N193-D195 PolarHBondContact O-N 3.48Å; N193-D195 WeakPolarHBondContact OD1-CA 3.17Å; N193-D195 WeakPolarHBondContact OD1-CB 3.32Å; N193-D195 PolarHBondContact OD1-N 2.97Å; N193-D195 VanDerWaalsContact OD1-N 3.09Å; N193-Q196 PolarHBondContact ND2-OE1 3.37Å; N193-Q196 WeakPolarHBondContact O-CB 3.37Å; N193-Q196 PolarHBondContact O-N 2.89Å; N193-Q196 PolarHBondContact O-OE1 3.1Å; N193-Q196 PolarHBondContact OD1-N 3.47Å
194W98.3Very high97.5Very high21 Ų2141.3 Ų41.38%0.0822%0.222CC..Hα-helixtrans-67.9-23-176.9-59.8121.1000114L62 L175 L181 L191 Q196 I197 R198 F246 M250 I252L62-W194 HydrophobicContact CD2-CB 3.98Å; L175-W194 HydrophobicContact CD1-CH2 4.18Å; L175-W194 HydrophobicContact CD1-CZ2 4.03Å; L175-W194 HydrophobicContact CD2-CD2 3.84Å; L175-W194 HydrophobicContact CD2-CE3 4.41Å; L175-W194 HydrophobicContact CD2-CG 4.03Å; L175-W194 HydrophobicContact CD2-CZ2 4.3Å; L181-W194 HydrophobicContact CB-CH2 4.37Å; L181-W194 HydrophobicContact CD1-CH2 4.1Å; L181-W194 HydrophobicContact CD1-CZ3 3.63Å; L181-W194 HydrophobicContact CD2-CH2 3.9Å; L181-W194 HydrophobicContact CD2-CZ3 3.83Å; L181-W194 HydrophobicContact CG-CH2 4.35Å; L181-W194 HydrophobicContact CG-CZ3 4.26Å; L191-W194 HydrophobicContact CD2-CZ3 4.35Å; W194-Q196 VanDerWaalsContact C-N 3.26Å; W194-Q196 PolarHBondContact O-N 2.9Å; W194-I197 HydrophobicContact CE3-CD1 4.33Å; W194-I197 PolarHBondContact O-N 2.88Å; W194-I197 VanDerWaalsContact O-N 3.14Å; W194-R198 PolarHBondContact O-N 3.25Å; W194-R198 VanDerWaalsContact O-N 3.12Å; W194-F246 HydrophobicContact CH2-CZ 4.45Å; W194-M250 HydrophobicContact CD2-CE 3.67Å; W194-M250 HydrophobicContact CE3-CE 3.71Å; W194-M250 HydrophobicContact CG-CE 4.38Å; W194-M250 HydrophobicContact CH2-CB 3.96Å; W194-M250 HydrophobicContact CH2-CE 3.68Å; W194-M250 HydrophobicContact CH2-CG 4.4Å; W194-M250 HydrophobicContact CZ2-CB 3.69Å; W194-M250 HydrophobicContact CZ2-CE 3.66Å; W194-M250 HydrophobicContact CZ2-CG 4.46Å; W194-M250 HydrophobicContact CZ3-CE 3.69Å; W194-I252 HydrophobicContact CH2-CD1 4.4Å; W194-I252 HydrophobicContact CH2-CG2 4.1Å; W194-I252 HydrophobicContact CZ2-CG2 3.64Å
195D98Very high97.4Very high86 Ų8644.2 Ų44.246%0.4624%0.242SC..Hα-helixtrans-70.5-25.4-179.8-62.2-35.1000111.9N193 I197 R198 C199N193-D195 PolarHBondContact O-N 3.48Å; N193-D195 WeakPolarHBondContact OD1-CA 3.17Å; N193-D195 WeakPolarHBondContact OD1-CB 3.32Å; N193-D195 PolarHBondContact OD1-N 2.97Å; N193-D195 VanDerWaalsContact OD1-N 3.09Å; D195-I197 PolarHBondContact O-N 2.9Å; D195-R198 PolarHBondContact O-N 2.88Å; D195-R198 WeakPolarHBondContact OD1-CD 3.47Å; D195-R198 IonicContact OD1-CZ 3.17Å; D195-R198 IonicContact OD1-NE 3.63Å; D195-R198 IonicContact OD1-NH1 3.14Å; D195-R198 PolarHBondContact OD1-NH1 2.89Å; D195-C199 VanDerWaalsContact O-CB 3.23Å; D195-C199 WeakPolarHBondContact O-CB 3.27Å; D195-C199 PolarHBondContact O-N 3.29Å; D195-C199 PolarHBondContact O-SG 3.37Å; D195-C199 VanDerWaalsContact O-SG 3.34Å
196Q98Very high97.2Very high58 Ų5850.6 Ų50.627%0.27127%0.27SS..Hα-helixtrans-55-40.5169.1-71.9174.1-78.300111.6E190 L191 T192 N193 W194 L200E190-Q196 PolarHBondContact O-NE2 2.94Å; E190-Q196 PolarHBondContact O-OE1 3.15Å; L191-Q196 HydrophobicContact CD1-CB 4.09Å; T192-Q196 PolarHBondContact OG1-OE1 3.17Å; T192-Q196 VanDerWaalsContact OG1-OE1 3.05Å; N193-Q196 PolarHBondContact ND2-OE1 3.37Å; N193-Q196 WeakPolarHBondContact O-CB 3.37Å; N193-Q196 PolarHBondContact O-N 2.89Å; N193-Q196 PolarHBondContact O-OE1 3.1Å; N193-Q196 PolarHBondContact OD1-N 3.47Å; W194-Q196 VanDerWaalsContact C-N 3.26Å; W194-Q196 PolarHBondContact O-N 2.9Å; Q196-L200 WeakPolarHBondContact O-CG 3.36Å; Q196-L200 PolarHBondContact O-N 3.35Å
197I98.4Very high96.9Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-76-46.6175.7-51.1-178.6000110.6S61 L62 A173 L191 W194 D195 C199 L200 V211 L215S61-I197 WeakPolarHBondContact CB-O 3.41Å; L62-I197 HydrophobicContact CB-CB 4.12Å; L62-I197 HydrophobicContact CB-CG2 3.8Å; L62-I197 HydrophobicContact CD1-CD1 4.27Å; L62-I197 HydrophobicContact CD1-CG2 4.18Å; A173-I197 HydrophobicContact CB-CD1 4.06Å; A173-I197 HydrophobicContact CB-CG2 4.11Å; L191-I197 HydrophobicContact CD1-CD1 4.02Å; L191-I197 HydrophobicContact CD1-CG1 3.71Å; L191-I197 HydrophobicContact CD2-CD1 3.82Å; L191-I197 HydrophobicContact CD2-CG1 4.37Å; W194-I197 HydrophobicContact CE3-CD1 4.33Å; W194-I197 PolarHBondContact O-N 2.88Å; W194-I197 VanDerWaalsContact O-N 3.14Å; D195-I197 PolarHBondContact O-N 2.9Å; I197-C199 PolarHBondContact O-N 3.36Å; I197-L200 HydrophobicContact CG2-CD1 4.28Å; I197-L200 WeakPolarHBondContact O-CB 3.33Å; I197-L200 PolarHBondContact O-N 3.19Å; I197-L200 VanDerWaalsContact O-N 3.1Å; I197-V211 HydrophobicContact CG1-CG1 4.32Å; I197-L215 HydrophobicContact CD1-CD1 3.96Å; I197-L215 HydrophobicContact CD1-CD2 4.27Å; I197-L215 HydrophobicContact CG1-CD1 4.08Å; I197-L215 HydrophobicContact CG2-CD1 4.24Å
198R98Very high96.5Very high65 Ų6555.6 Ų55.625%0.24530%0.301CS..Hα-helixtrans-55.2-38.1-178.8-68.3-173.8-175.298.66112.2L62 E64 W194 D195L62-R198 HydrophobicContact CB-CG 3.85Å; L62-R198 HydrophobicContact CD2-CG 4.04Å; E64-R198 IonicContact OE1-CZ 3.26Å; E64-R198 IonicContact OE1-NE 3.46Å; E64-R198 PolarHBondContact OE1-NE 3.39Å; E64-R198 IonicContact OE1-NH2 3.34Å; E64-R198 PolarHBondContact OE1-NH2 3.3Å; W194-R198 PolarHBondContact O-N 3.25Å; W194-R198 VanDerWaalsContact O-N 3.12Å; D195-R198 PolarHBondContact O-N 2.88Å; D195-R198 WeakPolarHBondContact OD1-CD 3.47Å; D195-R198 IonicContact OD1-CZ 3.17Å; D195-R198 IonicContact OD1-NE 3.63Å; D195-R198 IonicContact OD1-NH1 3.14Å; D195-R198 PolarHBondContact OD1-NH1 2.89Å
199C96.3Very high96.4Very high102 Ų10258.8 Ų58.869%0.68932%0.317SS*.THydrogen-bonded Turntrans-89.92.2-176.8-630000114.2D195 I197D195-C199 VanDerWaalsContact O-CB 3.23Å; D195-C199 WeakPolarHBondContact O-CB 3.27Å; D195-C199 PolarHBondContact O-N 3.29Å; D195-C199 PolarHBondContact O-SG 3.37Å; D195-C199 VanDerWaalsContact O-SG 3.34Å; I197-C199 PolarHBondContact O-N 3.36Å
200L96.4Very high96.4Very high8 Ų856.9 Ų56.94%0.04231%0.314CS..  trans-57.7127174.8-77.2176.2000110.1S61 L172 Q196 I197 R202 M204 V208 L215S61-L200 PolarHBondContact OG-O 2.8Å; L172-L200 HydrophobicContact CD1-CD1 3.56Å; L172-L200 HydrophobicContact CG-CD1 4.36Å; Q196-L200 WeakPolarHBondContact O-CG 3.36Å; Q196-L200 PolarHBondContact O-N 3.35Å; I197-L200 HydrophobicContact CG2-CD1 4.28Å; I197-L200 WeakPolarHBondContact O-CB 3.33Å; I197-L200 PolarHBondContact O-N 3.19Å; I197-L200 VanDerWaalsContact O-N 3.1Å; L200-R202 PolarHBondContact O-N 3.05Å; L200-M204 HydrophobicContact CB-CE 4.22Å; L200-M204 HydrophobicContact CD2-CE 4.34Å; L200-V208 HydrophobicContact CD2-CG2 4.45Å; L200-L215 HydrophobicContact CD1-CD1 4.42Å
201P95.2Very high96.4Very high77 Ų7751.5 Ų51.550%0.529%0.289SS..  trans-66.1135.4-17727.2-34.1000110.2M204 V208P201-M204 WeakPolarHBondContact O-CE 3.39Å; P201-V208 HydrophobicContact CG-CG2 4.17Å
202R96.8Very high96.4Very high43 Ų4351.3 Ų51.316%0.16229%0.288CS..SBendtrans-129.9138.2167.6-73-177.5-67128.517.2108.8F56 Q59 S61 W169 M170 L200F56-R202 PolarHBondContact O-NH1 2.89Å; Q59-R202 PolarHBondContact O-NH2 2.82Å; S61-R202 PolarHBondContact OG-NE 2.85Å; S61-R202 PolarHBondContact OG-NH2 2.85Å; W169-R202 HydrophobicContact CE3-CB 3.99Å; W169-R202 HydrophobicContact CZ3-CB 4.44Å; W169-R202 WeakPolarHBondContact CZ3-O 3.08Å; W169-R202 WeakPolarHBondContact O-CD 3.23Å; W169-R202 PolarHBondContact O-NH1 3.09Å; M170-R202 VanDerWaalsContact O-CD 3.31Å; M170-R202 WeakPolarHBondContact O-CD 3.48Å; L200-R202 PolarHBondContact O-N 3.05Å
203P98Very high96.4Very high72 Ų7249.3 Ų49.347%0.46828%0.276SS..SBendcis-74.7146.810.729.9-29.2000113.2N168 W169N168-P203 HydrophobicContact CB-CB 3.72Å; N168-P203 CarbonylContact O-C 3.55Å; N168-P203 VanDerWaalsContact O-CA 3.26Å; N168-P203 WeakPolarHBondContact O-CA 3.41Å; W169-P203 HydrophobicContact CD2-CB 4.13Å; W169-P203 HydrophobicContact CG-CB 4.34Å; W169-P203 HydrophobicContact CH2-CG 4.45Å; W169-P203 HydrophobicContact CZ2-CB 4.19Å; W169-P203 VanDerWaalsContact CZ2-CD 3.47Å; W169-P203 HydrophobicContact CZ2-CG 3.84Å
204M97.2Very high96.5Very high5 Ų546.3 Ų46.33%0.02526%0.26CS..  trans-121.3103.9-180-179.2179.3-6500109.3R132 N168 L172 L200 P201 F206 V208R132-M204 PolarHBondContact NH1-O 3.11Å; R132-M204 PolarHBondContact NH2-O 3.16Å; N168-M204 PolarHBondContact O-N 2.98Å; N168-M204 PolarHBondContact OD1-O 3.42Å; N168-M204 VanDerWaalsContact OD1-O 3.12Å; L172-M204 HydrophobicContact CD1-CE 4.43Å; L172-M204 HydrophobicContact CD1-SD 4.19Å; L200-M204 HydrophobicContact CB-CE 4.22Å; L200-M204 HydrophobicContact CD2-CE 4.34Å; P201-M204 WeakPolarHBondContact O-CE 3.39Å; M204-F206 WeakPolarHBondContact CG-O 3.27Å; M204-V208 HydrophobicContact CE-CG1 4.23Å; M204-V208 HydrophobicContact CE-CG2 3.65Å; M204-V208 HydrophobicContact CG-CG1 4.17Å
205S96.1Very high96.5Very high61 Ų6145.3 Ų45.343%0.42726%0.257SS..SBendtrans-81.5-20.6179.451.80000113.8F137 N168F137-S205 WeakPolarHBondContact CD1-O 3.39Å; N168-S205 WeakPolarHBondContact OD1-CA 3.49Å
206F94.3Very high96.5Very high134 Ų13441.2 Ų41.259%0.58824%0.235SC*.SBendtrans-145.8153.8173.951.3-91000109.1M204 V208M204-F206 WeakPolarHBondContact CG-O 3.27Å; F206-V208 HydrophobicContact CE2-CG1 4.5Å; F206-V208 PolarHBondContact O-N 2.98Å
207P92.1Very high96.5Very high33 Ų3339.9 Ų39.921%0.21423%0.227CC..  trans-55.5128.1173.6-20.431.3000110.6F137 T213 M216F137-P207 HydrophobicContact CE1-CG 4.26Å; F137-P207 HydrophobicContact CZ-CG 4.38Å; P207-T213 WeakPolarHBondContact CB-OG1 3.31Å; P207-M216 HydrophobicContact CB-CE 4.15Å; P207-M216 HydrophobicContact CG-CE 3.64Å
208V90.8Very high96.5Very high71 Ų7139.9 Ų39.943%0.4323%0.227SC..  trans-94.5-18.3-171.8-62.50000113.3L200 P201 M204 F206 S212L200-V208 HydrophobicContact CD2-CG2 4.45Å; P201-V208 HydrophobicContact CG-CG2 4.17Å; M204-V208 HydrophobicContact CE-CG1 4.23Å; M204-V208 HydrophobicContact CE-CG2 3.65Å; M204-V208 HydrophobicContact CG-CG1 4.17Å; F206-V208 HydrophobicContact CE2-CG1 4.5Å; F206-V208 PolarHBondContact O-N 2.98Å; V208-S212 PolarHBondContact N-OG 3.32Å; V208-S212 VanDerWaalsContact N-OG 3.08Å
209D94.7Very high96.6Very high69 Ų6937.1 Ų37.137%0.36922%0.217SC..SBendtrans-153.9178.2-177.263.810.6000111.3V211 S212 T213D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.19Å; D209-V211 PolarHBondContact OD1-N 3.43Å; D209-S212 PolarHBondContact N-OG 2.71Å; D209-S212 VanDerWaalsContact N-OG 3.14Å; D209-S212 PolarHBondContact O-OG 3.05Å; D209-S212 VanDerWaalsContact O-OG 3.08Å; D209-S212 VanDerWaalsContact OD1-CB 3.25Å; D209-S212 WeakPolarHBondContact OD1-CB 3.43Å; D209-S212 PolarHBondContact OD1-N 2.72Å; D209-S212 PolarHBondContact OD1-OG 3.1Å; D209-T213 WeakPolarHBondContact O-CB 3.45Å; D209-T213 PolarHBondContact O-N 3.09Å; D209-T213 VanDerWaalsContact O-N 3.08Å; D209-T213 PolarHBondContact O-OG1 3.37Å
210A96Very high96.7Very high40 Ų4032.8 Ų32.833%0.33119%0.188SC..Hα-helixtrans-62.3-39.8177.800000112.3E190 T213 D214E190-A210 HydrophobicContact CB-CB 4.33Å; E190-A210 HydrophobicContact CG-CB 3.77Å; A210-T213 PolarHBondContact O-N 2.98Å; A210-D214 VanDerWaalsContact O-CB 3.28Å; A210-D214 WeakPolarHBondContact O-CB 3.32Å; A210-D214 PolarHBondContact O-N 3.49Å
211V97.9Very high96.7Very high3 Ų333.5 Ų33.52%0.01819%0.192CC..Hα-helixtrans-62.4-53.1-178.9176.30000110.9E190 L191 I197 D209 T213 D214 L215E190-V211 HydrophobicContact CB-CG2 3.83Å; L191-V211 HydrophobicContact CB-CG1 4.41Å; L191-V211 HydrophobicContact CB-CG2 4.24Å; L191-V211 HydrophobicContact CD1-CG1 4.18Å; I197-V211 HydrophobicContact CG1-CG1 4.32Å; D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.19Å; D209-V211 PolarHBondContact OD1-N 3.43Å; V211-T213 VanDerWaalsContact C-N 3.27Å; V211-T213 PolarHBondContact O-N 3.3Å; V211-D214 PolarHBondContact O-N 2.77Å; V211-L215 HydrophobicContact CG1-CD1 3.94Å; V211-L215 HydrophobicContact CG1-CG 4.36Å; V211-L215 WeakPolarHBondContact O-CB 3.35Å; V211-L215 WeakPolarHBondContact O-CG 3.39Å; V211-L215 PolarHBondContact O-N 3.39Å
212S97.6Very high96.7Very high0 Ų034.7 Ų34.70%019%0.191CC..Hα-helixtrans-60.2-38.5177.2550000111.7V208 D209 M216V208-S212 PolarHBondContact N-OG 3.32Å; V208-S212 VanDerWaalsContact N-OG 3.08Å; D209-S212 PolarHBondContact N-OG 2.71Å; D209-S212 VanDerWaalsContact N-OG 3.14Å; D209-S212 PolarHBondContact O-OG 3.05Å; D209-S212 VanDerWaalsContact O-OG 3.08Å; D209-S212 VanDerWaalsContact OD1-CB 3.25Å; D209-S212 WeakPolarHBondContact OD1-CB 3.43Å; D209-S212 PolarHBondContact OD1-N 2.72Å; D209-S212 PolarHBondContact OD1-OG 3.1Å; S212-M216 WeakPolarHBondContact O-CE 3.42Å
213T98Very high96.5Very high22 Ų2239.9 Ų39.914%0.13522%0.222CC..Hα-helixtrans-63.8-53.2175.8-55.30000111.6P207 D209 A210 V211 L215 M216 W217 I234P207-T213 WeakPolarHBondContact CB-OG1 3.31Å; D209-T213 WeakPolarHBondContact O-CB 3.45Å; D209-T213 PolarHBondContact O-N 3.09Å; D209-T213 VanDerWaalsContact O-N 3.08Å; D209-T213 PolarHBondContact O-OG1 3.37Å; A210-T213 PolarHBondContact O-N 2.98Å; V211-T213 VanDerWaalsContact C-N 3.27Å; V211-T213 PolarHBondContact O-N 3.3Å; T213-L215 PolarHBondContact O-N 2.74Å; T213-M216 PolarHBondContact O-N 3.02Å; T213-M216 VanDerWaalsContact O-N 3.09Å; T213-W217 WeakPolarHBondContact O-CB 3.1Å; T213-W217 PolarHBondContact O-N 3.32Å; T213-I234 HydrophobicContact CG2-CD1 3.83Å; T213-I234 HydrophobicContact CG2-CG1 3.68Å
214D98.6Very high96.2Very high3 Ų338 Ų382%0.01621%0.207CC..Hα-helixtrans-66.3-37.4-173.7-67.2-18.1000112.5G186 S188 A210 V211 M216 W217 A218 S235G186-D214 PolarHBondContact N-O 3.34Å; S188-D214 WeakPolarHBondContact CA-OD2 3.38Å; S188-D214 WeakPolarHBondContact CB-OD2 3.28Å; S188-D214 PolarHBondContact OG-OD2 2.58Å; A210-D214 VanDerWaalsContact O-CB 3.28Å; A210-D214 WeakPolarHBondContact O-CB 3.32Å; A210-D214 PolarHBondContact O-N 3.49Å; V211-D214 PolarHBondContact O-N 2.77Å; D214-M216 PolarHBondContact O-N 3.23Å; D214-W217 PolarHBondContact O-N 2.88Å; D214-A218 HydrophobicContact CB-CB 3.96Å; D214-A218 VanDerWaalsContact O-CB 3.24Å; D214-A218 WeakPolarHBondContact O-CB 3.27Å; D214-A218 PolarHBondContact O-N 3.16Å; D214-S235 WeakPolarHBondContact CA-OG 3.38Å; D214-S235 WeakPolarHBondContact OD1-CB 3.28Å; D214-S235 PolarHBondContact OD1-OG 3.41Å
215L98.6Very high96.1Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-57.2-18174.4-73.2174.9000113.3L172 A173 M183 H184 G185 G186 I197 L200 V211 T213L172-L215 HydrophobicContact CB-CD1 4.18Å; A173-L215 HydrophobicContact CB-CD1 4.49Å; A173-L215 HydrophobicContact CB-CD2 4.41Å; M183-L215 HydrophobicContact CB-CB 4.47Å; M183-L215 HydrophobicContact CB-CD2 3.93Å; M183-L215 HydrophobicContact CE-CD2 3.78Å; M183-L215 HydrophobicContact CG-CD2 4.09Å; M183-L215 WeakPolarHBondContact CG-O 3.35Å; H184-L215 PolarHBondContact N-O 2.71Å; G185-L215 WeakPolarHBondContact CA-O 3.28Å; G185-L215 PolarHBondContact N-O 3.38Å; G186-L215 WeakPolarHBondContact O-CA 3.41Å; I197-L215 HydrophobicContact CD1-CD1 3.96Å; I197-L215 HydrophobicContact CD1-CD2 4.27Å; I197-L215 HydrophobicContact CG1-CD1 4.08Å; I197-L215 HydrophobicContact CG2-CD1 4.24Å; L200-L215 HydrophobicContact CD1-CD1 4.42Å; V211-L215 HydrophobicContact CG1-CD1 3.94Å; V211-L215 HydrophobicContact CG1-CG 4.36Å; V211-L215 WeakPolarHBondContact O-CB 3.35Å; V211-L215 WeakPolarHBondContact O-CG 3.39Å; V211-L215 PolarHBondContact O-N 3.39Å; T213-L215 PolarHBondContact O-N 2.74Å
216M98Very high96.1Very high0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-117.6-16.7-178.2-53.9177.1-51.600113.5N134 F137 L172 H184 P207 S212 T213 D214 H259N134-M216 HydrophobicContact CB-CB 4.39Å; F137-M216 HydrophobicContact CD2-CE 4.43Å; F137-M216 HydrophobicContact CD2-SD 4.46Å; F137-M216 HydrophobicContact CE1-CE 4.3Å; F137-M216 HydrophobicContact CE2-CE 3.35Å; F137-M216 HydrophobicContact CE2-SD 3.27Å; F137-M216 WeakPolarHBondContact CE2-SD 3.31Å; F137-M216 HydrophobicContact CZ-CE 3.25Å; F137-M216 HydrophobicContact CZ-SD 3.57Å; F137-M216 VanDerWaalsContact CZ-SD 3.57Å; L172-M216 HydrophobicContact CD1-SD 4.31Å; L172-M216 HydrophobicContact CD2-SD 3.74Å; H184-M216 PolarHBondContact CD2-O 3.16Å; P207-M216 HydrophobicContact CB-CE 4.15Å; P207-M216 HydrophobicContact CG-CE 3.64Å; S212-M216 WeakPolarHBondContact O-CE 3.42Å; T213-M216 PolarHBondContact O-N 3.02Å; T213-M216 VanDerWaalsContact O-N 3.09Å; D214-M216 PolarHBondContact O-N 3.23Å; M216-H259 PolarHBondContact O-CE1 2.93Å
217W98.4Very high96.3Very high30 Ų3041.2 Ų41.211%0.11422%0.216CC..Hα-helixtrans-129.7-19.4-171.2-72.195.8000115.7N134 L140 T213 D214 R232 I234 S235N134-W217 HydrophobicContact CB-CD2 4.08Å; N134-W217 HydrophobicContact CB-CH2 4.33Å; N134-W217 HydrophobicContact CB-CZ2 3.65Å; N134-W217 WeakPolarHBondContact ND2-CH2 3.07Å; N134-W217 WeakPolarHBondContact ND2-CZ2 3.49Å; N134-W217 WeakPolarHBondContact ND2-CZ3 3.15Å; L140-W217 HydrophobicContact CD1-CH2 3.95Å; L140-W217 HydrophobicContact CD1-CZ2 4.3Å; L140-W217 HydrophobicContact CD2-CH2 4.35Å; L140-W217 HydrophobicContact CD2-CZ2 3.92Å; L140-W217 HydrophobicContact CG-CH2 4.27Å; L140-W217 HydrophobicContact CG-CZ2 4.12Å; T213-W217 WeakPolarHBondContact O-CB 3.1Å; T213-W217 PolarHBondContact O-N 3.32Å; D214-W217 PolarHBondContact O-N 2.88Å; W217-R232 HydrophobicContact CE3-CB 4.31Å; W217-R232 HydrophobicContact CZ3-CB 4.38Å; W217-I234 HydrophobicContact CB-CG2 4.33Å; W217-I234 HydrophobicContact CD2-CG2 3.47Å; W217-I234 VanDerWaalsContact CD2-CG2 3.47Å; W217-I234 HydrophobicContact CE3-CG2 3.29Å; W217-I234 HydrophobicContact CG-CG2 3.96Å; W217-I234 HydrophobicContact CH2-CG2 4.18Å; W217-I234 HydrophobicContact CZ2-CG2 4.37Å; W217-I234 HydrophobicContact CZ3-CG2 3.67Å; W217-S235 VanDerWaalsContact CB-CB 3.5Å
218A98.4Very high96.4Very high0 Ų045.2 Ų45.20%023%0.227CC..  trans-70.2143.8-176.100000111G185 G186 D214 S235 Y236 F238G185-A218 CarbonylContact C-O 3.48Å; G186-A218 PolarHBondContact N-O 2.94Å; G186-A218 VanDerWaalsContact N-O 3.15Å; D214-A218 HydrophobicContact CB-CB 3.96Å; D214-A218 VanDerWaalsContact O-CB 3.24Å; D214-A218 WeakPolarHBondContact O-CB 3.27Å; D214-A218 PolarHBondContact O-N 3.16Å; A218-S235 WeakPolarHBondContact CA-OG 3.31Å; A218-S235 WeakPolarHBondContact CB-OG 3.27Å; A218-S235 PolarHBondContact N-OG 3Å; A218-Y236 VanDerWaalsContact CA-O 3.29Å; A218-Y236 WeakPolarHBondContact CA-O 3.36Å; A218-F238 HydrophobicContact CB-CD1 4.1Å; A218-F238 HydrophobicContact CB-CE1 3.82Å
219D98.5Very high96.7Very high7 Ų744.4 Ų44.44%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-126.4137.6-176.9-80.8-34.8000112.3R232 Y236 G237 F238 R257 H259 Q260D219-R232 IonicContact OD1-CZ 3.91Å; D219-R232 IonicContact OD1-NE 3.8Å; D219-R232 IonicContact OD1-NH2 3.61Å; D219-R232 PolarHBondContact OD1-NH2 3.45Å; D219-R232 IonicContact OD2-CZ 3.44Å; D219-R232 IonicContact OD2-NE 2.74Å; D219-R232 PolarHBondContact OD2-NE 3.42Å; D219-R232 IonicContact OD2-NH2 3.55Å; D219-R232 PolarHBondContact OD2-NH2 3.44Å; D219-Y236 PolarHBondContact N-O 3.19Å; D219-Y236 VanDerWaalsContact N-O 3.12Å; D219-G237 CarbonylContact O-C 3.59Å; D219-G237 WeakPolarHBondContact O-CA 3.43Å; D219-F238 WeakPolarHBondContact O-CD1 3.29Å; D219-F238 PolarHBondContact O-N 3.35Å; D219-R257 IonicContact OD1-CZ 3.42Å; D219-R257 IonicContact OD1-NH1 3.18Å; D219-R257 PolarHBondContact OD1-NH1 2.87Å; D219-R257 IonicContact OD1-NH2 2.76Å; D219-H259 IonicContact OD1-CD2 2.69Å; D219-H259 PolarHBondContact OD1-CD2 2.92Å; D219-H259 IonicContact OD1-NE2 3.13Å; D219-Q260 VanDerWaalsContact OD1-CD 3.28Å; D219-Q260 VanDerWaalsContact OD1-CG 3.25Å; D219-Q260 WeakPolarHBondContact OD1-CG 3.17Å
220P98.2Very high96.7Very high10 Ų1041.9 Ų41.97%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-63.714416229.3-34.6000110.4F238 Q260 F269 L274P220-F238 CarbonylContact C-O 3.47Å; P220-F238 WeakPolarHBondContact CA-O 3.37Å; P220-F238 HydrophobicContact CB-CD2 4.37Å; P220-F238 HydrophobicContact CB-CE2 3.77Å; P220-F238 HydrophobicContact CB-CZ 4.09Å; P220-F238 HydrophobicContact CG-CZ 4.44Å; P220-Q260 VanDerWaalsContact CG-OE1 3.28Å; P220-Q260 PolarHBondContact O-NE2 3.32Å; P220-F269 HydrophobicContact CB-CD1 3.81Å; P220-F269 HydrophobicContact CB-CD2 4.32Å; P220-F269 HydrophobicContact CB-CE1 3.82Å; P220-F269 HydrophobicContact CB-CE2 4.34Å; P220-F269 HydrophobicContact CB-CG 4.05Å; P220-F269 HydrophobicContact CB-CZ 4.07Å; P220-L274 HydrophobicContact CB-CD2 4.48Å; P220-L274 HydrophobicContact CG-CD2 4.1Å
221V97.5Very high96.5Very high23 Ų2345.9 Ų45.914%0.13924%0.24CC..  trans-129.2121.2178.7-179.60000109.9Q224 F238V221-Q224 HydrophobicContact CB-CB 3.99Å; V221-Q224 VanDerWaalsContact CB-OE1 3.22Å; V221-Q224 HydrophobicContact CG1-CB 3.81Å; V221-Q224 VanDerWaalsContact CG1-OE1 3.28Å; V221-F238 PolarHBondContact N-O 3.4Å
222Q94.1Very high96.3Very high102 Ų10250.2 Ų50.248%0.47726%0.256SS..THydrogen-bonded Turntrans-64.5142.8176.7-164.757.738.600111.5Q224 E240Q222-Q224 PolarHBondContact O-N 3.3Å; Q222-E240 PolarHBondContact NE2-OE1 3.38Å
223N93.1Very high96.2Very high153 Ų15353.9 Ų53.982%0.81829%0.294SS*.THydrogen-bonded Turntrans59.424.3177.1-51.1-34.3000114.5
224Q91.8Very high96.1Very high31 Ų3155.9 Ų55.915%0.14530%0.303CS..  trans-107.9145.9173.1179.8-173.6-54.300110.7V221 Q222 G226 G237 G239V221-Q224 HydrophobicContact CB-CB 3.99Å; V221-Q224 VanDerWaalsContact CB-OE1 3.22Å; V221-Q224 HydrophobicContact CG1-CB 3.81Å; V221-Q224 VanDerWaalsContact CG1-OE1 3.28Å; Q222-Q224 PolarHBondContact O-N 3.3Å; Q224-G226 PolarHBondContact NE2-O 3.02Å; Q224-G237 PolarHBondContact NE2-O 2.73Å; Q224-G239 VanDerWaalsContact O-CA 3.23Å; Q224-G239 WeakPolarHBondContact O-CA 3.46Å
225K95Very high96Very high177 Ų17756.5 Ų56.577%0.7731%0.308SS*.  trans-107.8138166.2-170.2178.2-179.2179.20110.4D241K225-D241 WeakPolarHBondContact CA-OD1 3.27Å
226G96.9Very high96Very high16 Ų1661.1 Ų61.117%0.16533%0.326CS..SBendtrans66.9-144.3179.300000112.8Q224 F238 G239 D241Q224-G226 PolarHBondContact NE2-O 3.02Å; G226-F238 WeakPolarHBondContact O-CA 3.23Å; G226-G239 PolarHBondContact O-N 3.03Å; G226-D241 PolarHBondContact N-OD1 3.29Å
227W97.5Very high96Very high75 Ų7561.2 Ų61.228%0.28433%0.327SS..EExtended strand (participates in β ladder)trans-115.1147.7-174.1-58.182.9000110.5I187 M189 G237 F238 A242I187-W227 HydrophobicContact CB-CH2 4.36Å; I187-W227 HydrophobicContact CD1-CH2 3.85Å; I187-W227 HydrophobicContact CD1-CZ2 4.03Å; I187-W227 HydrophobicContact CG1-CH2 3.7Å; I187-W227 HydrophobicContact CG1-CZ2 4.39Å; I187-W227 HydrophobicContact CG1-CZ3 4.43Å; I187-W227 WeakPolarHBondContact O-CH2 3.39Å; I187-W227 WeakPolarHBondContact O-CZ3 3.44Å; M189-W227 HydrophobicContact CB-CZ2 4.42Å; M189-W227 HydrophobicContact CE-CB 4.37Å; M189-W227 HydrophobicContact CE-CD2 4.37Å; M189-W227 HydrophobicContact CE-CE3 4.36Å; M189-W227 HydrophobicContact CE-CG 4.37Å; M189-W227 HydrophobicContact CG-CD2 3.3Å; M189-W227 HydrophobicContact CG-CE3 3.7Å; M189-W227 HydrophobicContact CG-CG 3.73Å; M189-W227 HydrophobicContact CG-CH2 3.88Å; M189-W227 HydrophobicContact CG-CZ2 3.5Å; M189-W227 HydrophobicContact CG-CZ3 3.98Å; M189-W227 HydrophobicContact SD-CB 3.8Å; M189-W227 VanDerWaalsContact SD-CD1 3.59Å; M189-W227 HydrophobicContact SD-CD2 3.64Å; M189-W227 HydrophobicContact SD-CE3 4.2Å; M189-W227 HydrophobicContact SD-CG 3.41Å; W227-G237 CarbonylContact C-O 3.59Å; W227-G237 WeakPolarHBondContact CA-O 3.49Å; W227-F238 HydrophobicContact CD2-CB 3.93Å; W227-F238 HydrophobicContact CE3-CB 3.62Å; W227-F238 HydrophobicContact CE3-CD1 4.48Å; W227-F238 HydrophobicContact CE3-CG 4.47Å; W227-F238 HydrophobicContact CH2-CB 4.15Å; W227-F238 HydrophobicContact CH2-CD1 4.46Å; W227-F238 HydrophobicContact CH2-CG 4.44Å; W227-F238 HydrophobicContact CZ2-CB 4.42Å; W227-F238 HydrophobicContact CZ3-CB 3.74Å; W227-F238 AromaticContact CZ3-CD1 3.94Å; W227-F238 HydrophobicContact CZ3-CD1 3.94Å; W227-F238 HydrophobicContact CZ3-CG 4.14Å; W227-A242 HydrophobicContact CZ2-CB 3.99Å
228R95.4Very high96Very high118 Ų11859.8 Ų59.845%0.44532%0.321SS..EExtended strand (participates in β ladder)trans-141.315917274.9175.2172.8152.31.7110.6S230 Y236 G237R228-S230 PolarHBondContact O-N 3.42Å; R228-Y236 CarbonylContact O-C 3.36Å; R228-Y236 WeakPolarHBondContact O-CA 3.42Å; R228-Y236 WeakPolarHBondContact O-CB 3.48Å; R228-Y236 WeakPolarHBondContact O-CD1 3.26Å; R228-G237 PolarHBondContact N-O 3Å; R228-G237 PolarHBondContact O-N 3.18Å
229G95.6Very high96Very high54 Ų5459.8 Ų59.856%0.55732%0.321SS*.EExtended strand (participates in β ladder)trans-56136.1170.900000111.4
230S95Very high96Very high16 Ų1662.3 Ų62.311%0.11233%0.333CS..  trans-68.5144.6-178.7-177.60000112.2R228 R232 G233 I234 S235R228-S230 PolarHBondContact O-N 3.42Å; S230-R232 PolarHBondContact O-N 3.38Å; S230-R232 WeakPolarHBondContact OG-CB 3.21Å; S230-R232 WeakPolarHBondContact OG-CG 3.4Å; S230-R232 PolarHBondContact OG-N 3.49Å; S230-R232 VanDerWaalsContact OG-N 3.09Å; S230-G233 PolarHBondContact O-N 2.84Å; S230-G233 VanDerWaalsContact O-N 3.15Å; S230-I234 WeakPolarHBondContact CB-O 3.45Å; S230-I234 PolarHBondContact OG-O 2.83Å; S230-S235 VanDerWaalsContact CB-O 3.26Å; S230-S235 WeakPolarHBondContact CB-O 3.34Å; S230-S235 PolarHBondContact N-O 3.47Å
231V93.2Very high96Very high123 Ų12363.3 Ų63.375%0.74534%0.338SS*.THydrogen-bonded Turntrans-65.6-12.7169.4-61.40000112.6G233V231-G233 PolarHBondContact O-N 2.94Å
232R93.4Very high96Very high94 Ų9462.4 Ų62.436%0.35533%0.333SS..THydrogen-bonded Turntrans-76.6-10.3174.8-58.3-174.9-174-104.96.4113.2W217 D219 S230 I234 H259W217-R232 HydrophobicContact CE3-CB 4.31Å; W217-R232 HydrophobicContact CZ3-CB 4.38Å; D219-R232 IonicContact OD1-CZ 3.91Å; D219-R232 IonicContact OD1-NE 3.8Å; D219-R232 IonicContact OD1-NH2 3.61Å; D219-R232 PolarHBondContact OD1-NH2 3.45Å; D219-R232 IonicContact OD2-CZ 3.44Å; D219-R232 IonicContact OD2-NE 2.74Å; D219-R232 PolarHBondContact OD2-NE 3.42Å; D219-R232 IonicContact OD2-NH2 3.55Å; D219-R232 PolarHBondContact OD2-NH2 3.44Å; S230-R232 PolarHBondContact O-N 3.38Å; S230-R232 WeakPolarHBondContact OG-CB 3.21Å; S230-R232 WeakPolarHBondContact OG-CG 3.4Å; S230-R232 PolarHBondContact OG-N 3.49Å; S230-R232 VanDerWaalsContact OG-N 3.09Å; R232-I234 HydrophobicContact CB-CG2 4.25Å; R232-I234 PolarHBondContact O-N 3.27Å; R232-H259 PolarHBondContact NE-NE2 3.38Å; R232-H259 PolarHBondContact NH1-NE2 3.29Å; R232-H259 PolarHBondContact NH2-CD2 2.92Å; R232-H259 PolarHBondContact NH2-NE2 2.97Å; R232-H259 PolarHBondContact NH2-O 3.22Å
233G95Very high96.2Very high78 Ų7857.6 Ų57.680%0.80431%0.31SS*.SBendtrans77.24.9-174.200000114.5S230 V231S230-G233 PolarHBondContact O-N 2.84Å; S230-G233 VanDerWaalsContact O-N 3.15Å; V231-G233 PolarHBondContact O-N 2.94Å
234I96.1Very high96.4Very high63 Ų6354 Ų5432%0.32329%0.286SS..SBendtrans-145.9146.4176.6-175.2168.8000109.2T213 W217 S230 R232T213-I234 HydrophobicContact CG2-CD1 3.83Å; T213-I234 HydrophobicContact CG2-CG1 3.68Å; W217-I234 HydrophobicContact CB-CG2 4.33Å; W217-I234 HydrophobicContact CD2-CG2 3.47Å; W217-I234 VanDerWaalsContact CD2-CG2 3.47Å; W217-I234 HydrophobicContact CE3-CG2 3.29Å; W217-I234 HydrophobicContact CG-CG2 3.96Å; W217-I234 HydrophobicContact CH2-CG2 4.18Å; W217-I234 HydrophobicContact CZ2-CG2 4.37Å; W217-I234 HydrophobicContact CZ3-CG2 3.67Å; S230-I234 WeakPolarHBondContact CB-O 3.45Å; S230-I234 PolarHBondContact OG-O 2.83Å; R232-I234 HydrophobicContact CB-CG2 4.25Å; R232-I234 PolarHBondContact O-N 3.27Å
235S97.1Very high96.7Very high17 Ų1758.8 Ų58.812%0.11931%0.306CS..SBendtrans61.7-160-176.1-171.10000112.7D214 W217 A218 S230D214-S235 WeakPolarHBondContact CA-OG 3.38Å; D214-S235 WeakPolarHBondContact OD1-CB 3.28Å; D214-S235 PolarHBondContact OD1-OG 3.41Å; W217-S235 VanDerWaalsContact CB-CB 3.5Å; A218-S235 WeakPolarHBondContact CA-OG 3.31Å; A218-S235 WeakPolarHBondContact CB-OG 3.27Å; A218-S235 PolarHBondContact N-OG 3Å; S230-S235 VanDerWaalsContact CB-O 3.26Å; S230-S235 WeakPolarHBondContact CB-O 3.34Å; S230-S235 PolarHBondContact N-O 3.47Å
236Y97.2Very high96.9Very high97 Ų9751 Ų5138%0.3827%0.273SS..EExtended strand (participates in β ladder)trans-130.4150.7-169.7-62.6-87.6000112.1M189 A218 D219 R228M189-Y236 HydrophobicContact CE-CD1 4.08Å; M189-Y236 HydrophobicContact CE-CD2 3.91Å; M189-Y236 HydrophobicContact CE-CE1 4.02Å; M189-Y236 HydrophobicContact CE-CE2 3.84Å; M189-Y236 HydrophobicContact CE-CG 4.04Å; A218-Y236 VanDerWaalsContact CA-O 3.29Å; A218-Y236 WeakPolarHBondContact CA-O 3.36Å; D219-Y236 PolarHBondContact N-O 3.19Å; D219-Y236 VanDerWaalsContact N-O 3.12Å; R228-Y236 CarbonylContact O-C 3.36Å; R228-Y236 WeakPolarHBondContact O-CA 3.42Å; R228-Y236 WeakPolarHBondContact O-CB 3.48Å; R228-Y236 WeakPolarHBondContact O-CD1 3.26Å
237G98.1Very high97Very high1 Ų150.5 Ų50.51%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-88.9142.115900000110.5D219 Q224 W227 R228D219-G237 CarbonylContact O-C 3.59Å; D219-G237 WeakPolarHBondContact O-CA 3.43Å; Q224-G237 PolarHBondContact NE2-O 2.73Å; W227-G237 CarbonylContact C-O 3.59Å; W227-G237 WeakPolarHBondContact CA-O 3.49Å; R228-G237 PolarHBondContact N-O 3Å; R228-G237 PolarHBondContact O-N 3.18Å
238F98.4Very high97Very high0 Ų057.6 Ų57.60%029%0.293CS..EExtended strand (participates in β ladder)trans-128.2142.4179.457.1-94.8000113.3I187 A218 D219 P220 V221 G226 W227 A242 V243 L274I187-F238 HydrophobicContact CD1-CD2 3.97Å; I187-F238 HydrophobicContact CD1-CE2 4.19Å; I187-F238 HydrophobicContact CD1-CG 4.24Å; I187-F238 HydrophobicContact CG1-CD1 3.92Å; I187-F238 HydrophobicContact CG1-CD2 3.88Å; I187-F238 HydrophobicContact CG1-CE1 3.87Å; I187-F238 HydrophobicContact CG1-CE2 3.81Å; I187-F238 HydrophobicContact CG1-CG 3.94Å; I187-F238 HydrophobicContact CG1-CZ 3.81Å; A218-F238 HydrophobicContact CB-CD1 4.1Å; A218-F238 HydrophobicContact CB-CE1 3.82Å; D219-F238 WeakPolarHBondContact O-CD1 3.29Å; D219-F238 PolarHBondContact O-N 3.35Å; P220-F238 CarbonylContact C-O 3.47Å; P220-F238 WeakPolarHBondContact CA-O 3.37Å; P220-F238 HydrophobicContact CB-CD2 4.37Å; P220-F238 HydrophobicContact CB-CE2 3.77Å; P220-F238 HydrophobicContact CB-CZ 4.09Å; P220-F238 HydrophobicContact CG-CZ 4.44Å; V221-F238 PolarHBondContact N-O 3.4Å; G226-F238 WeakPolarHBondContact O-CA 3.23Å; W227-F238 HydrophobicContact CD2-CB 3.93Å; W227-F238 HydrophobicContact CE3-CB 3.62Å; W227-F238 HydrophobicContact CE3-CD1 4.48Å; W227-F238 HydrophobicContact CE3-CG 4.47Å; W227-F238 HydrophobicContact CH2-CB 4.15Å; W227-F238 HydrophobicContact CH2-CD1 4.46Å; W227-F238 HydrophobicContact CH2-CG 4.44Å; W227-F238 HydrophobicContact CZ2-CB 4.42Å; W227-F238 HydrophobicContact CZ3-CB 3.74Å; W227-F238 AromaticContact CZ3-CD1 3.94Å; W227-F238 HydrophobicContact CZ3-CD1 3.94Å; W227-F238 HydrophobicContact CZ3-CG 4.14Å; F238-A242 HydrophobicContact CB-CB 3.99Å; F238-V243 HydrophobicContact CD2-CG2 3.69Å; F238-V243 HydrophobicContact CE2-CG2 3.6Å; F238-L274 HydrophobicContact CE2-CD1 3.85Å; F238-L274 HydrophobicContact CZ-CD1 4.06Å
239G98.3Very high97.1Very high0 Ų059.6 Ų59.60%030%0.302CS..  trans-85.2176179.600000114Q224 G226 D241 A242 V243Q224-G239 VanDerWaalsContact O-CA 3.23Å; Q224-G239 WeakPolarHBondContact O-CA 3.46Å; G226-G239 PolarHBondContact O-N 3.03Å; G239-D241 VanDerWaalsContact C-N 3.29Å; G239-D241 PolarHBondContact O-N 3.41Å; G239-A242 WeakPolarHBondContact O-CB 3.48Å; G239-A242 PolarHBondContact O-N 3.12Å; G239-V243 PolarHBondContact O-N 3.2Å
240E98.2Very high97.2Very high60 Ų6057.7 Ų57.728%0.2828%0.278SS..Hα-helixtrans-62.2-36.9179.6-65.4-173.5-154.600112.3Q222 A242 V243 Y244 F269 A270Q222-E240 PolarHBondContact NE2-OE1 3.38Å; E240-A242 VanDerWaalsContact C-N 3.28Å; E240-A242 PolarHBondContact O-N 3.38Å; E240-V243 WeakPolarHBondContact O-CB 3.11Å; E240-V243 PolarHBondContact O-N 3.49Å; E240-V243 VanDerWaalsContact O-N 3.13Å; E240-Y244 HydrophobicContact CB-CD2 4.42Å; E240-Y244 HydrophobicContact CB-CE2 3.76Å; E240-Y244 WeakPolarHBondContact O-CD2 3.47Å; E240-Y244 PolarHBondContact O-N 3.05Å; E240-Y244 PolarHBondContact OE2-OH 3.37Å; E240-F269 HydrophobicContact CB-CE1 4.28Å; E240-F269 HydrophobicContact CB-CZ 4.17Å; E240-F269 HydrophobicContact CG-CD1 4.36Å; E240-F269 HydrophobicContact CG-CD2 4.21Å; E240-F269 HydrophobicContact CG-CE1 3.78Å; E240-F269 HydrophobicContact CG-CE2 3.61Å; E240-F269 HydrophobicContact CG-CZ 3.38Å; E240-A270 HydrophobicContact CB-CB 4Å; E240-A270 HydrophobicContact CG-CB 4.1Å
241D98Very high97.3Very high32 Ų3262 Ų6217%0.17130%0.3CS..Hα-helixtrans-66.4-30.3179.174.1-63.1000112.8K225 G226 G239 K245K225-D241 WeakPolarHBondContact CA-OD1 3.27Å; G226-D241 PolarHBondContact N-OD1 3.29Å; G239-D241 VanDerWaalsContact C-N 3.29Å; G239-D241 PolarHBondContact O-N 3.41Å; D241-K245 WeakPolarHBondContact O-CB 3.32Å; D241-K245 WeakPolarHBondContact O-CD 3.34Å; D241-K245 WeakPolarHBondContact O-CG 3.42Å; D241-K245 PolarHBondContact O-N 3.4Å; D241-K245 IonicContact OD2-NZ 3.7Å; D241-K245 PolarHBondContact OD2-NZ 3.42Å
242A98.2Very high97.6Very high4 Ų456.4 Ų56.43%0.03327%0.266CS..Hα-helixtrans-66.4-42172.200000110.8I187 W227 F238 G239 E240 K245 F246I187-A242 HydrophobicContact CD1-CB 4.47Å; W227-A242 HydrophobicContact CZ2-CB 3.99Å; F238-A242 HydrophobicContact CB-CB 3.99Å; G239-A242 WeakPolarHBondContact O-CB 3.48Å; G239-A242 PolarHBondContact O-N 3.12Å; E240-A242 VanDerWaalsContact C-N 3.28Å; E240-A242 PolarHBondContact O-N 3.38Å; A242-K245 PolarHBondContact O-N 2.83Å; A242-F246 VanDerWaalsContact O-CB 3.22Å; A242-F246 WeakPolarHBondContact O-CB 3.5Å; A242-F246 PolarHBondContact O-N 3.3Å
243V98.5Very high97.8Very high0 Ų055.9 Ų55.90%027%0.27CS..Hα-helixtrans-62.6-48.8175.2175.10000111.3I187 F238 G239 E240 K245 F246 C247 I255 F269 A270 H273 L274I187-V243 HydrophobicContact CD1-CG2 4.26Å; F238-V243 HydrophobicContact CD2-CG2 3.69Å; F238-V243 HydrophobicContact CE2-CG2 3.6Å; G239-V243 PolarHBondContact O-N 3.2Å; E240-V243 WeakPolarHBondContact O-CB 3.11Å; E240-V243 PolarHBondContact O-N 3.49Å; E240-V243 VanDerWaalsContact O-N 3.13Å; V243-K245 VanDerWaalsContact C-N 3.35Å; V243-K245 PolarHBondContact O-N 3.21Å; V243-F246 PolarHBondContact O-N 3.09Å; V243-C247 WeakPolarHBondContact O-CB 3.4Å; V243-C247 PolarHBondContact O-N 3.49Å; V243-C247 PolarHBondContact O-SG 2.76Å; V243-I255 HydrophobicContact CG1-CD1 4.1Å; V243-F269 HydrophobicContact CG2-CD1 3.97Å; V243-F269 HydrophobicContact CG2-CE1 3.77Å; V243-A270 HydrophobicContact CB-CB 3.73Å; V243-A270 HydrophobicContact CG1-CB 3.62Å; V243-A270 HydrophobicContact CG2-CB 4.34Å; V243-H273 HydrophobicContact CG1-CB 3.85Å; V243-L274 HydrophobicContact CG1-CB 4.25Å; V243-L274 HydrophobicContact CG2-CD1 4.22Å
244Y98.2Very high97.9Very high77 Ų7753.6 Ų53.630%0.30224%0.239SC..Hα-helixtrans-59.6-44.9178.7-61-47.8000112.1E240 R248 A270 S271 H273E240-Y244 HydrophobicContact CB-CD2 4.42Å; E240-Y244 HydrophobicContact CB-CE2 3.76Å; E240-Y244 WeakPolarHBondContact O-CD2 3.47Å; E240-Y244 PolarHBondContact O-N 3.05Å; E240-Y244 PolarHBondContact OE2-OH 3.37Å; Y244-R248 VanDerWaalsContact O-CB 3.31Å; Y244-R248 WeakPolarHBondContact O-CB 3.43Å; Y244-R248 PolarHBondContact O-N 3.46Å; Y244-R248 VanDerWaalsContact O-N 3.09Å; Y244-A270 HydrophobicContact CD1-CB 4.27Å; Y244-A270 HydrophobicContact CE1-CB 3.73Å; Y244-A270 WeakPolarHBondContact CE1-O 3.44Å; Y244-A270 HydrophobicContact CE2-CB 4.49Å; Y244-A270 VanDerWaalsContact OH-CA 3.26Å; Y244-A270 WeakPolarHBondContact OH-CA 3.38Å; Y244-S271 PolarHBondContact OH-N 2.94Å; Y244-S271 PolarHBondContact OH-OG 2.77Å; Y244-H273 AromaticContact CD1-ND1 3.96Å; Y244-H273 AromaticContact CE1-ND1 3.67Å
245K97.9Very high98.1Very high133 Ų13350.6 Ų50.658%0.57822%0.224SC*.Hα-helixtrans-61.9-46.7176.7-74.3167.1-174.6160.90111.1D241 A242 V243 R248 Y249D241-K245 WeakPolarHBondContact O-CB 3.32Å; D241-K245 WeakPolarHBondContact O-CD 3.34Å; D241-K245 WeakPolarHBondContact O-CG 3.42Å; D241-K245 PolarHBondContact O-N 3.4Å; D241-K245 IonicContact OD2-NZ 3.7Å; D241-K245 PolarHBondContact OD2-NZ 3.42Å; A242-K245 PolarHBondContact O-N 2.83Å; V243-K245 VanDerWaalsContact C-N 3.35Å; V243-K245 PolarHBondContact O-N 3.21Å; K245-R248 PolarHBondContact O-N 2.97Å; K245-Y249 WeakPolarHBondContact O-CB 3.14Å; K245-Y249 PolarHBondContact O-N 2.96Å
246F98.4Very high98.2Very high14 Ų1449.8 Ų49.86%0.06122%0.218CC..Hα-helixtrans-63-50.3-179.4-176.9-88.7000111.7L181 I187 L191 W194 A242 V243 R248 Y249 M250 I252 I255L181-F246 HydrophobicContact CD2-CE1 3.62Å; L181-F246 HydrophobicContact CD2-CZ 3.83Å; I187-F246 HydrophobicContact CB-CD1 4.35Å; I187-F246 HydrophobicContact CB-CD2 4.16Å; I187-F246 HydrophobicContact CB-CE1 4.43Å; I187-F246 HydrophobicContact CB-CE2 4.25Å; I187-F246 HydrophobicContact CB-CG 4.2Å; I187-F246 HydrophobicContact CB-CZ 4.38Å; I187-F246 HydrophobicContact CD1-CB 3.8Å; I187-F246 HydrophobicContact CD1-CD2 4.42Å; I187-F246 HydrophobicContact CD1-CG 4.02Å; I187-F246 HydrophobicContact CG2-CD1 3.59Å; I187-F246 HydrophobicContact CG2-CD2 4.26Å; I187-F246 HydrophobicContact CG2-CE1 3.56Å; I187-F246 HydrophobicContact CG2-CE2 4.24Å; I187-F246 HydrophobicContact CG2-CG 3.94Å; I187-F246 HydrophobicContact CG2-CZ 3.9Å; L191-F246 HydrophobicContact CB-CE2 4.23Å; L191-F246 HydrophobicContact CD2-CE2 3.96Å; L191-F246 HydrophobicContact CD2-CZ 3.72Å; L191-F246 HydrophobicContact CG-CE2 4.15Å; L191-F246 HydrophobicContact CG-CZ 4.3Å; W194-F246 HydrophobicContact CH2-CZ 4.45Å; A242-F246 VanDerWaalsContact O-CB 3.22Å; A242-F246 WeakPolarHBondContact O-CB 3.5Å; A242-F246 PolarHBondContact O-N 3.3Å; V243-F246 PolarHBondContact O-N 3.09Å; F246-R248 VanDerWaalsContact C-N 3.3Å; F246-R248 PolarHBondContact O-N 3.16Å; F246-Y249 PolarHBondContact O-N 2.99Å; F246-M250 HydrophobicContact CD1-CG 4.21Å; F246-M250 HydrophobicContact CD2-CG 4.02Å; F246-M250 HydrophobicContact CE1-CB 4.26Å; F246-M250 HydrophobicContact CE1-CG 3.89Å; F246-M250 HydrophobicContact CE2-CG 3.68Å; F246-M250 HydrophobicContact CG-CG 4.27Å; F246-M250 HydrophobicContact CZ-CB 4.4Å; F246-M250 HydrophobicContact CZ-CG 3.62Å; F246-M250 WeakPolarHBondContact O-CB 3.34Å; F246-M250 WeakPolarHBondContact O-CG 3.45Å; F246-M250 PolarHBondContact O-N 3.23Å; F246-I252 HydrophobicContact CD1-CD1 4.17Å; F246-I252 HydrophobicContact CE1-CD1 3.83Å; F246-I255 HydrophobicContact CD1-CD1 4.07Å; F246-I255 HydrophobicContact CE1-CD1 4.47Å
247C98.3Very high98.2Very high5 Ų545.1 Ų45.13%0.03420%0.2CC..Hα-helixtrans-59.5-41.2179.1-70.60000112.1V243 D251 I252V243-C247 WeakPolarHBondContact O-CB 3.4Å; V243-C247 PolarHBondContact O-N 3.49Å; V243-C247 PolarHBondContact O-SG 2.76Å; C247-D251 WeakPolarHBondContact O-CA 3.5Å; C247-D251 PolarHBondContact O-N 2.92Å; C247-D251 VanDerWaalsContact O-N 3.07Å; C247-I252 HydrophobicContact CB-CG1 4.15Å; C247-I252 WeakPolarHBondContact CB-O 3.09Å; C247-I252 PolarHBondContact O-N 2.95Å
248R97.9Very high98.3Very high223 Ų22345.1 Ų45.184%0.84220%0.199SC*.Hα-helixtrans-65.6-45.6175.9-170.6-179.4-151.8165.37.5112.4Y244 K245 F246Y244-R248 VanDerWaalsContact O-CB 3.31Å; Y244-R248 WeakPolarHBondContact O-CB 3.43Å; Y244-R248 PolarHBondContact O-N 3.46Å; Y244-R248 VanDerWaalsContact O-N 3.09Å; K245-R248 PolarHBondContact O-N 2.97Å; F246-R248 VanDerWaalsContact C-N 3.3Å; F246-R248 PolarHBondContact O-N 3.16Å
249Y98.1Very high98.3Very high161 Ų16145.6 Ų45.663%0.63120%0.202SC*.Hα-helixtrans-68.9-41.7-176.5-178.5-99000112T192 K245 F246 D251T192-Y249 HydrophobicContact CG2-CE1 4.5Å; T192-Y249 WeakPolarHBondContact O-CE1 3.35Å; K245-Y249 WeakPolarHBondContact O-CB 3.14Å; K245-Y249 PolarHBondContact O-N 2.96Å; F246-Y249 PolarHBondContact O-N 2.99Å; Y249-D251 VanDerWaalsContact C-N 3.32Å
250M98Very high98.3Very high13 Ų1347.9 Ų47.96%0.06421%0.212CC..THydrogen-bonded Turntrans-87.90.8-178.6-60.6-61.9-70.600113.7L191 W194 F246 I252L191-M250 HydrophobicContact CG-CE 4.28Å; W194-M250 HydrophobicContact CD2-CE 3.67Å; W194-M250 HydrophobicContact CE3-CE 3.71Å; W194-M250 HydrophobicContact CG-CE 4.38Å; W194-M250 HydrophobicContact CH2-CB 3.96Å; W194-M250 HydrophobicContact CH2-CE 3.68Å; W194-M250 HydrophobicContact CH2-CG 4.4Å; W194-M250 HydrophobicContact CZ2-CB 3.69Å; W194-M250 HydrophobicContact CZ2-CE 3.66Å; W194-M250 HydrophobicContact CZ2-CG 4.46Å; W194-M250 HydrophobicContact CZ3-CE 3.69Å; F246-M250 HydrophobicContact CD1-CG 4.21Å; F246-M250 HydrophobicContact CD2-CG 4.02Å; F246-M250 HydrophobicContact CE1-CB 4.26Å; F246-M250 HydrophobicContact CE1-CG 3.89Å; F246-M250 HydrophobicContact CE2-CG 3.68Å; F246-M250 HydrophobicContact CG-CG 4.27Å; F246-M250 HydrophobicContact CZ-CB 4.4Å; F246-M250 HydrophobicContact CZ-CG 3.62Å; F246-M250 WeakPolarHBondContact O-CB 3.34Å; F246-M250 WeakPolarHBondContact O-CG 3.45Å; F246-M250 PolarHBondContact O-N 3.23Å; M250-I252 HydrophobicContact CB-CG1 4.49Å
251D97.7Very high98.2Very high106 Ų10647.5 Ų47.557%0.56721%0.214SC*.THydrogen-bonded Turntrans51.553.7-178.5-172.534.3000113.8R179 C247 Y249R179-D251 IonicContact CZ-OD1 3.19Å; R179-D251 PolarHBondContact NH1-O 3.29Å; R179-D251 IonicContact NH1-OD1 2.88Å; R179-D251 PolarHBondContact NH1-OD1 2.87Å; R179-D251 IonicContact NH1-OD2 3.88Å; R179-D251 PolarHBondContact NH1-OD2 3.5Å; R179-D251 IonicContact NH2-OD1 2.66Å; C247-D251 WeakPolarHBondContact O-CA 3.5Å; C247-D251 PolarHBondContact O-N 2.92Å; C247-D251 VanDerWaalsContact O-N 3.07Å; Y249-D251 VanDerWaalsContact C-N 3.32Å
252I98.3Very high98.2Very high7 Ų746.3 Ų46.34%0.03621%0.208CC..  trans-123.1155.3174.859.5168.5000111.1L175 R179 L181 W194 F246 C247 M250 I255L175-I252 HydrophobicContact CD1-CG2 4.06Å; R179-I252 WeakPolarHBondContact O-CB 3.3Å; L181-I252 HydrophobicContact CB-CD1 3.66Å; L181-I252 HydrophobicContact CD2-CD1 4.27Å; W194-I252 HydrophobicContact CH2-CD1 4.4Å; W194-I252 HydrophobicContact CH2-CG2 4.1Å; W194-I252 HydrophobicContact CZ2-CG2 3.64Å; F246-I252 HydrophobicContact CD1-CD1 4.17Å; F246-I252 HydrophobicContact CE1-CD1 3.83Å; C247-I252 HydrophobicContact CB-CG1 4.15Å; C247-I252 WeakPolarHBondContact CB-O 3.09Å; C247-I252 PolarHBondContact O-N 2.95Å; M250-I252 HydrophobicContact CB-CG1 4.49Å; I252-I255 HydrophobicContact CD1-CG1 3.86Å
253D97.8Very high98.1Very high82 Ų8251.4 Ų51.444%0.43923%0.231SC..SBendtrans-93.3-32.1-179.7-60.3-51.1000112.5R179R179-D253 WeakPolarHBondContact CB-OD2 3.16Å; R179-D253 IonicContact CZ-OD1 3.69Å; R179-D253 IonicContact CZ-OD2 3.18Å; R179-D253 IonicContact NE-OD1 3.72Å; R179-D253 IonicContact NE-OD2 2.76Å; R179-D253 PolarHBondContact NE-OD2 3.48Å; R179-D253 VanDerWaalsContact NH2-CG 3.29Å; R179-D253 IonicContact NH2-OD1 3.31Å; R179-D253 PolarHBondContact NH2-OD1 2.75Å; R179-D253 IonicContact NH2-OD2 3.97Å; R179-D253 PolarHBondContact NH2-OD2 2.87Å; R179-D253 PolarHBondContact O-N 2.89Å
254M98.1Very high98Very high30 Ų3055.2 Ų55.215%0.14825%0.251CS..EExtended strand (participates in β ladder)trans-150.2145.8-170.2-174.1171.8-7700112.6R179 I180 L181 V256 N272 H273 I275 C302R179-M254 PolarHBondContact O-N 3.49Å; I180-M254 CarbonylContact C-O 3.59Å; I180-M254 VanDerWaalsContact CA-O 3.29Å; I180-M254 WeakPolarHBondContact CA-O 3.25Å; I180-M254 HydrophobicContact CG1-CB 4.42Å; I180-M254 HydrophobicContact CG2-CB 4.3Å; L181-M254 PolarHBondContact N-O 3.11Å; M254-V256 HydrophobicContact CG-CG2 4.26Å; M254-V256 HydrophobicContact SD-CG2 4.32Å; M254-N272 VanDerWaalsContact CE-O 3.24Å; M254-N272 WeakPolarHBondContact CE-O 3.49Å; M254-H273 CarbonylContact C-O 3.52Å; M254-H273 VanDerWaalsContact CA-O 3.31Å; M254-H273 WeakPolarHBondContact CA-O 3.41Å; M254-I275 HydrophobicContact CG-CG2 4.41Å; M254-I275 HydrophobicContact SD-CG2 4.09Å; M254-C302 HydrophobicContact CE-CB 4.42Å; M254-C302 HydrophobicContact SD-CB 3.97Å; M254-C302 VanDerWaalsContact SD-SG 3.64Å
255I98.8Very high98Very high0 Ų051.5 Ų51.50%024%0.237CC..EExtended strand (participates in β ladder)trans-109.7133.2167.3-63.5155000108.3L181 M183 I187 V243 F246 I252 H273 L274 I275L181-I255 HydrophobicContact CB-CG1 4.44Å; L181-I255 CarbonylContact O-C 3.5Å; L181-I255 WeakPolarHBondContact O-CA 3.4Å; M183-I255 HydrophobicContact CE-CG2 4.33Å; M183-I255 HydrophobicContact SD-CG2 3.8Å; I187-I255 HydrophobicContact CG2-CD1 3.53Å; I187-I255 HydrophobicContact CG2-CG1 4.31Å; V243-I255 HydrophobicContact CG1-CD1 4.1Å; F246-I255 HydrophobicContact CD1-CD1 4.07Å; F246-I255 HydrophobicContact CE1-CD1 4.47Å; I252-I255 HydrophobicContact CD1-CG1 3.86Å; I255-H273 PolarHBondContact N-O 2.86Å; I255-L274 HydrophobicContact CB-CB 4.23Å; I255-L274 HydrophobicContact CB-CD1 4.11Å; I255-L274 HydrophobicContact CB-CG 4.08Å; I255-L274 HydrophobicContact CD1-CD1 4.37Å; I255-L274 HydrophobicContact CG2-CD1 3.84Å; I255-L274 HydrophobicContact CG2-CG 4.08Å; I255-L274 CarbonylContact O-C 3.55Å; I255-L274 VanDerWaalsContact O-CA 3.32Å; I255-L274 WeakPolarHBondContact O-CA 3.31Å; I255-I275 PolarHBondContact O-N 2.83Å
256V98.9Very high98Very high0 Ų048.2 Ų48.20%022%0.221CC..EExtended strand (participates in β ladder)trans-119.7117.3173.4-174.30000108.4I71 L100 I180 L181 C182 M183 M254 I275 V277 V294I71-V256 HydrophobicContact CB-CG1 4.33Å; I71-V256 HydrophobicContact CD1-CB 4.17Å; I71-V256 HydrophobicContact CD1-CG1 3.97Å; I71-V256 HydrophobicContact CD1-CG2 4.03Å; I71-V256 HydrophobicContact CG2-CG1 3.82Å; L100-V256 HydrophobicContact CD1-CG1 4.19Å; I180-V256 HydrophobicContact CG2-CG2 3.58Å; L181-V256 PolarHBondContact O-N 3.04Å; C182-V256 VanDerWaalsContact CA-O 3.22Å; C182-V256 WeakPolarHBondContact CA-O 3.24Å; M183-V256 PolarHBondContact N-O 3.37Å; M254-V256 HydrophobicContact CG-CG2 4.26Å; M254-V256 HydrophobicContact SD-CG2 4.32Å; V256-I275 WeakPolarHBondContact CA-O 3.41Å; V256-I275 HydrophobicContact CB-CG2 4.05Å; V256-I275 HydrophobicContact CG1-CG2 3.98Å; V256-I275 HydrophobicContact CG2-CG2 3.65Å; V256-V277 HydrophobicContact CG1-CG1 4.15Å; V256-V294 HydrophobicContact CG1-CG2 4.17Å
257R98.8Very high98Very high0 Ų052.3 Ų52.30%024%0.241CC..EExtended strand (participates in β ladder)trans-133.8169.6-174.767.5125.1-46.7169.333.3112.8M183 H184 G185 D219 H259 L274 I275 T276 V277M183-R257 WeakPolarHBondContact O-CA 3.39Å; M183-R257 HydrophobicContact SD-CB 4.16Å; H184-R257 PolarHBondContact O-NE 2.96Å; H184-R257 PolarHBondContact O-NH2 3.07Å; G185-R257 VanDerWaalsContact O-CB 3.28Å; G185-R257 WeakPolarHBondContact O-CB 3.46Å; G185-R257 WeakPolarHBondContact O-CD 3.25Å; G185-R257 PolarHBondContact O-NE 3.4Å; G185-R257 PolarHBondContact O-NH2 3.38Å; G185-R257 VanDerWaalsContact O-NH2 3.11Å; D219-R257 IonicContact OD1-CZ 3.42Å; D219-R257 IonicContact OD1-NH1 3.18Å; D219-R257 PolarHBondContact OD1-NH1 2.87Å; D219-R257 IonicContact OD1-NH2 2.76Å; R257-H259 PolarHBondContact NH2-CD2 3.36Å; R257-H259 VanDerWaalsContact NH2-CD2 3.28Å; R257-L274 HydrophobicContact CG-CD1 4.35Å; R257-L274 HydrophobicContact CG-CD2 3.99Å; R257-L274 HydrophobicContact CG-CG 4.27Å; R257-I275 PolarHBondContact N-O 3.48Å; R257-T276 CarbonylContact O-C 3.52Å; R257-T276 WeakPolarHBondContact O-CA 3.33Å; R257-V277 PolarHBondContact O-N 2.76Å
258A98.8Very high98Very high0 Ų056.5 Ų56.50%026%0.258CS..  trans-118.3-132.1-173.800000113.8D74 L100 H184 Q260 T276 V277D74-A258 WeakPolarHBondContact OD1-CB 3.33Å; L100-A258 HydrophobicContact CB-CB 3.78Å; L100-A258 HydrophobicContact CD1-CB 4.02Å; H184-A258 CarbonylContact O-C 3.59Å; H184-A258 PolarHBondContact O-N 3.08Å; A258-Q260 PolarHBondContact O-N 2.75Å; A258-T276 WeakPolarHBondContact O-CG2 3.25Å; A258-V277 WeakPolarHBondContact CA-O 3.4Å
259H98.5Very high98Very high10 Ų1046.2 Ų46.25%0.04622%0.22CC..  trans55.7-8.8156.9169.9109.5000122.7D74 N134 H184 M216 D219 R232 R257D74-H259 PolarHBondContact OD1-N 3.42Å; D74-H259 WeakPolarHBondContact OD2-CA 3.08Å; D74-H259 PolarHBondContact OD2-N 2.8Å; N134-H259 PolarHBondContact ND2-CE1 3.49Å; N134-H259 PolarHBondContact OD1-CE1 2.97Å; N134-H259 PolarHBondContact OD1-ND1 3.17Å; H184-H259 AromaticContact CD2-CG 3.98Å; H184-H259 AromaticContact CD2-ND1 3.63Å; H184-H259 VanDerWaalsContact CE1-CB 3.44Å; H184-H259 WeakPolarHBondContact CE1-CB 3.49Å; H184-H259 VanDerWaalsContact NE2-CB 3.29Å; H184-H259 WeakPolarHBondContact NE2-CB 3.32Å; H184-H259 AromaticContact NE2-CG 3.6Å; H184-H259 AromaticContact NE2-ND1 3.13Å; H184-H259 PolarHBondContact NE2-ND1 2.83Å; H184-H259 VanDerWaalsContact NE2-ND1 3.13Å; M216-H259 PolarHBondContact O-CE1 2.93Å; D219-H259 IonicContact OD1-CD2 2.69Å; D219-H259 PolarHBondContact OD1-CD2 2.92Å; D219-H259 IonicContact OD1-NE2 3.13Å; R232-H259 PolarHBondContact NE-NE2 3.38Å; R232-H259 PolarHBondContact NH1-NE2 3.29Å; R232-H259 PolarHBondContact NH2-CD2 2.92Å; R232-H259 PolarHBondContact NH2-NE2 2.97Å; R232-H259 PolarHBondContact NH2-O 3.22Å; R257-H259 PolarHBondContact NH2-CD2 3.36Å; R257-H259 VanDerWaalsContact NH2-CD2 3.28Å
260Q97.9Very high98Very high48 Ų4838.6 Ų38.622%0.22419%0.19CC..SBendtrans-111.3125.4162-75.8171.8-52.300109D219 P220 A258 V262 T276D219-Q260 VanDerWaalsContact OD1-CD 3.28Å; D219-Q260 VanDerWaalsContact OD1-CG 3.25Å; D219-Q260 WeakPolarHBondContact OD1-CG 3.17Å; P220-Q260 VanDerWaalsContact CG-OE1 3.28Å; P220-Q260 PolarHBondContact O-NE2 3.32Å; A258-Q260 PolarHBondContact O-N 2.75Å; Q260-V262 PolarHBondContact O-N 3.35Å; Q260-T276 HydrophobicContact CB-CG2 4.07Å
261V97.1Very high97.8Very high52 Ų5242.2 Ų42.232%0.31522%0.216SC..  trans-65.1120.4170-172.50000107.8F278 Y283 F287 N289V261-F278 HydrophobicContact CB-CE2 4.36Å; V261-F278 HydrophobicContact CB-CZ 4.47Å; V261-F278 HydrophobicContact CG1-CD1 4.42Å; V261-F278 HydrophobicContact CG1-CE1 4.36Å; V261-F278 HydrophobicContact CG2-CD2 4.31Å; V261-F278 HydrophobicContact CG2-CE1 4.2Å; V261-F278 HydrophobicContact CG2-CE2 3.68Å; V261-F278 HydrophobicContact CG2-CZ 3.65Å; V261-Y283 HydrophobicContact CG1-CD1 4.49Å; V261-Y283 HydrophobicContact CG2-CD1 3.53Å; V261-Y283 HydrophobicContact CG2-CE1 3.73Å; V261-Y283 HydrophobicContact CG2-CG 4.38Å; V261-F287 HydrophobicContact CB-CE1 4.45Å; V261-F287 HydrophobicContact CG1-CD1 3.89Å; V261-F287 HydrophobicContact CG1-CE1 4.3Å; V261-F287 HydrophobicContact CG2-CE1 4.28Å; V261-N289 HydrophobicContact CG1-CB 4.12Å
262V97.2Very high97.7Very high7 Ų741.5 Ų41.54%0.04221%0.213CC..  trans-120.4140180-72.80000110Q260 N264 G265 E267 T276 F278Q260-V262 PolarHBondContact O-N 3.35Å; V262-N264 VanDerWaalsContact C-N 3.32Å; V262-N264 PolarHBondContact O-N 3Å; V262-G265 PolarHBondContact O-N 2.9Å; V262-E267 HydrophobicContact CB-CB 4.03Å; V262-E267 HydrophobicContact CG1-CB 3.68Å; V262-T276 HydrophobicContact CG1-CG2 3.79Å; V262-T276 HydrophobicContact CG2-CG2 4.26Å; V262-F278 HydrophobicContact CG2-CB 4.05Å
263Q96.8Very high97.7Very high112 Ų11244.3 Ų44.352%0.52323%0.225SC..THydrogen-bonded Turntrans-56.7-41.5-165.5-17957.626.300113.6G265 N288 N289 D290Q263-G265 VanDerWaalsContact C-N 3.33Å; Q263-N288 PolarHBondContact NE2-O 2.71Å; Q263-N289 CarbonylContact O-C 3.58Å; Q263-N289 VanDerWaalsContact O-CA 3.32Å; Q263-N289 WeakPolarHBondContact O-CA 3.09Å; Q263-D290 PolarHBondContact O-N 3.37Å
264N97.3Very high97.8Very high79 Ų7940.4 Ų40.442%0.42220%0.204SC..THydrogen-bonded Turntrans-92.57.8-178.3-64.4-47000113.2V262 Y266V262-N264 VanDerWaalsContact C-N 3.32Å; V262-N264 PolarHBondContact O-N 3Å; N264-Y266 HydrophobicContact CB-CD1 4.21Å; N264-Y266 HydrophobicContact CB-CE1 4.05Å; N264-Y266 WeakPolarHBondContact O-CD1 3.43Å; N264-Y266 PolarHBondContact O-N 2.94Å
265G97.6Very high97.8Very high0 Ų039 Ų390%020%0.198CC..SBendtrans73.4-2-170.500000114.2V262 Q263 F278 D290 G292V262-G265 PolarHBondContact O-N 2.9Å; Q263-G265 VanDerWaalsContact C-N 3.33Å; G265-F278 PolarHBondContact O-N 3.31Å; G265-D290 WeakPolarHBondContact CA-O 3.15Å; G265-D290 PolarHBondContact N-O 3.33Å; G265-G292 WeakPolarHBondContact O-CA 3.4Å; G265-G292 PolarHBondContact O-N 3.49Å
266Y98.2Very high97.8Very high64 Ų6439.1 Ų39.125%0.25120%0.198SC..EExtended strand (participates in β ladder)trans-151.1157167.669.7-77.7000110.9N264 F268 I275 T276 V304 Q306N264-Y266 HydrophobicContact CB-CD1 4.21Å; N264-Y266 HydrophobicContact CB-CE1 4.05Å; N264-Y266 WeakPolarHBondContact O-CD1 3.43Å; N264-Y266 PolarHBondContact O-N 2.94Å; Y266-F268 HydrophobicContact CD2-CD2 4.36Å; Y266-F268 HydrophobicContact CD2-CE2 4.06Å; Y266-F268 HydrophobicContact CE2-CD2 4.25Å; Y266-F268 AromaticContact CE2-CE2 3.81Å; Y266-F268 HydrophobicContact CE2-CE2 3.81Å; Y266-I275 HydrophobicContact CD2-CD1 4.4Å; Y266-T276 CarbonylContact C-O 3.49Å; Y266-T276 WeakPolarHBondContact CA-O 3.08Å; Y266-V304 HydrophobicContact CD1-CB 4.25Å; Y266-V304 HydrophobicContact CD1-CG1 3.46Å; Y266-V304 VanDerWaalsContact CD1-CG1 3.46Å; Y266-V304 HydrophobicContact CD2-CB 4.29Å; Y266-V304 HydrophobicContact CD2-CG1 4.19Å; Y266-V304 HydrophobicContact CD2-CG2 3.87Å; Y266-V304 HydrophobicContact CE1-CB 4.42Å; Y266-V304 HydrophobicContact CE1-CG1 3.97Å; Y266-V304 HydrophobicContact CE2-CB 4.45Å; Y266-V304 HydrophobicContact CE2-CG2 4.27Å; Y266-V304 HydrophobicContact CG-CB 4.18Å; Y266-V304 HydrophobicContact CG-CG1 3.58Å; Y266-V304 HydrophobicContact CG-CG2 4.06Å; Y266-Q306 HydrophobicContact CE1-CB 4.44Å
267E98Very high97.8Very high100 Ų10039.1 Ų39.147%0.46720%0.198SC..EExtended strand (participates in β ladder)trans-149.2135.5174.2-170.9167.6-89.300110.2V262 I275 T276V262-E267 HydrophobicContact CB-CB 4.03Å; V262-E267 HydrophobicContact CG1-CB 3.68Å; E267-I275 WeakPolarHBondContact O-CA 3.34Å; E267-T276 PolarHBondContact N-O 2.64Å; E267-T276 PolarHBondContact O-N 3.19Å
268F97.8Very high97.7Very high92 Ų9239.1 Ų39.140%0.40420%0.198SC..EExtended strand (participates in β ladder)trans-91.9143.5174-70.3-73.7000110.4Y266 N272 L274 I275 V304Y266-F268 HydrophobicContact CD2-CD2 4.36Å; Y266-F268 HydrophobicContact CD2-CE2 4.06Å; Y266-F268 HydrophobicContact CE2-CD2 4.25Å; Y266-F268 AromaticContact CE2-CE2 3.81Å; Y266-F268 HydrophobicContact CE2-CE2 3.81Å; F268-N272 VanDerWaalsContact CB-OD1 3.31Å; F268-N272 WeakPolarHBondContact CB-OD1 3.29Å; F268-N272 HydrophobicContact CD1-CB 4.04Å; F268-N272 VanDerWaalsContact CG-OD1 3.31Å; F268-N272 WeakPolarHBondContact CG-OD1 3.4Å; F268-L274 WeakPolarHBondContact CA-O 3.46Å; F268-I275 HydrophobicContact CD1-CB 4.14Å; F268-I275 HydrophobicContact CD1-CD1 4.42Å; F268-I275 HydrophobicContact CD1-CG1 4.49Å; F268-I275 HydrophobicContact CE1-CB 4.23Å; F268-I275 HydrophobicContact CE1-CD1 3.9Å; F268-I275 HydrophobicContact CE1-CG1 4.42Å; F268-I275 HydrophobicContact CZ-CD1 4.15Å; F268-V304 HydrophobicContact CZ-CG2 4.37Å
269F98.2Very high97.7Very high8 Ų839.2 Ų39.24%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-137.4156.3178.5-175.7-103.4000110.2P220 E240 V243 S271 N272 H273 L274P220-F269 HydrophobicContact CB-CD1 3.81Å; P220-F269 HydrophobicContact CB-CD2 4.32Å; P220-F269 HydrophobicContact CB-CE1 3.82Å; P220-F269 HydrophobicContact CB-CE2 4.34Å; P220-F269 HydrophobicContact CB-CG 4.05Å; P220-F269 HydrophobicContact CB-CZ 4.07Å; E240-F269 HydrophobicContact CB-CE1 4.28Å; E240-F269 HydrophobicContact CB-CZ 4.17Å; E240-F269 HydrophobicContact CG-CD1 4.36Å; E240-F269 HydrophobicContact CG-CD2 4.21Å; E240-F269 HydrophobicContact CG-CE1 3.78Å; E240-F269 HydrophobicContact CG-CE2 3.61Å; E240-F269 HydrophobicContact CG-CZ 3.38Å; V243-F269 HydrophobicContact CG2-CD1 3.97Å; V243-F269 HydrophobicContact CG2-CE1 3.77Å; F269-S271 PolarHBondContact O-N 3.44Å; F269-N272 PolarHBondContact O-N 2.52Å; F269-H273 PolarHBondContact O-N 3.23Å; F269-L274 HydrophobicContact CB-CB 4.21Å; F269-L274 HydrophobicContact CB-CD2 3.85Å; F269-L274 HydrophobicContact CD1-CB 4.37Å; F269-L274 PolarHBondContact N-O 2.93Å; F269-L274 PolarHBondContact O-N 3.16Å; F269-L274 VanDerWaalsContact O-N 3.11Å
270A97.4Very high97.7Very high1 Ų138.8 Ų38.81%0.00820%0.197CC..THydrogen-bonded Turntrans49.760178.900000112.6E240 V243 Y244 N272 H273E240-A270 HydrophobicContact CB-CB 4Å; E240-A270 HydrophobicContact CG-CB 4.1Å; V243-A270 HydrophobicContact CB-CB 3.73Å; V243-A270 HydrophobicContact CG1-CB 3.62Å; V243-A270 HydrophobicContact CG2-CB 4.34Å; Y244-A270 HydrophobicContact CD1-CB 4.27Å; Y244-A270 HydrophobicContact CE1-CB 3.73Å; Y244-A270 WeakPolarHBondContact CE1-O 3.44Å; Y244-A270 HydrophobicContact CE2-CB 4.49Å; Y244-A270 VanDerWaalsContact OH-CA 3.26Å; Y244-A270 WeakPolarHBondContact OH-CA 3.38Å; A270-N272 VanDerWaalsContact C-N 3.26Å; A270-N272 PolarHBondContact O-N 3.5Å; A270-N272 VanDerWaalsContact O-N 3.16Å; A270-H273 HydrophobicContact CB-CB 4.36Å; A270-H273 VanDerWaalsContact O-CB 3.32Å; A270-H273 WeakPolarHBondContact O-CB 3.21Å; A270-H273 PolarHBondContact O-N 3.15Å; A270-H273 PolarHBondContact O-ND1 3.09Å
271S95.2Very high97.6Very high88 Ų8836.6 Ų36.662%0.61519%0.187SC*.THydrogen-bonded Turntrans48.645.6-179.5-55.60000113.5Y244 F269 H273Y244-S271 PolarHBondContact OH-N 2.94Å; Y244-S271 PolarHBondContact OH-OG 2.77Å; F269-S271 PolarHBondContact O-N 3.44Å; S271-H273 VanDerWaalsContact C-N 3.31Å; S271-H273 PolarHBondContact O-N 3.19Å; S271-H273 PolarHBondContact O-ND1 3.32Å
272N95.6Very high97.4Very high91 Ų9137 Ų3749%0.48719%0.187SC..THydrogen-bonded Turntrans69.112.1-178.4-48.3-37.8000116.4M254 F268 F269 A270 L274M254-N272 VanDerWaalsContact CE-O 3.24Å; M254-N272 WeakPolarHBondContact CE-O 3.49Å; F268-N272 VanDerWaalsContact CB-OD1 3.31Å; F268-N272 WeakPolarHBondContact CB-OD1 3.29Å; F268-N272 HydrophobicContact CD1-CB 4.04Å; F268-N272 VanDerWaalsContact CG-OD1 3.31Å; F268-N272 WeakPolarHBondContact CG-OD1 3.4Å; F269-N272 PolarHBondContact O-N 2.52Å; A270-N272 VanDerWaalsContact C-N 3.26Å; A270-N272 PolarHBondContact O-N 3.5Å; A270-N272 VanDerWaalsContact O-N 3.16Å; N272-L274 VanDerWaalsContact C-N 3.25Å
273H97.8Very high97.3Very high66 Ų6637.5 Ų37.531%0.30619%0.189SC..THydrogen-bonded Turntrans-76.4-14.4172.5-68.275.8000112.6V243 Y244 M254 I255 F269 A270 S271V243-H273 HydrophobicContact CG1-CB 3.85Å; Y244-H273 AromaticContact CD1-ND1 3.96Å; Y244-H273 AromaticContact CE1-ND1 3.67Å; M254-H273 CarbonylContact C-O 3.52Å; M254-H273 VanDerWaalsContact CA-O 3.31Å; M254-H273 WeakPolarHBondContact CA-O 3.41Å; I255-H273 PolarHBondContact N-O 2.86Å; F269-H273 PolarHBondContact O-N 3.23Å; A270-H273 HydrophobicContact CB-CB 4.36Å; A270-H273 VanDerWaalsContact O-CB 3.32Å; A270-H273 WeakPolarHBondContact O-CB 3.21Å; A270-H273 PolarHBondContact O-N 3.15Å; A270-H273 PolarHBondContact O-ND1 3.09Å; S271-H273 VanDerWaalsContact C-N 3.31Å; S271-H273 PolarHBondContact O-N 3.19Å; S271-H273 PolarHBondContact O-ND1 3.32Å
274L98.7Very high96.9Very high0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-133.4139.8172-177.2151.5000110.1P220 F238 V243 I255 R257 F268 F269 N272P220-L274 HydrophobicContact CB-CD2 4.48Å; P220-L274 HydrophobicContact CG-CD2 4.1Å; F238-L274 HydrophobicContact CE2-CD1 3.85Å; F238-L274 HydrophobicContact CZ-CD1 4.06Å; V243-L274 HydrophobicContact CG1-CB 4.25Å; V243-L274 HydrophobicContact CG2-CD1 4.22Å; I255-L274 HydrophobicContact CB-CB 4.23Å; I255-L274 HydrophobicContact CB-CD1 4.11Å; I255-L274 HydrophobicContact CB-CG 4.08Å; I255-L274 HydrophobicContact CD1-CD1 4.37Å; I255-L274 HydrophobicContact CG2-CD1 3.84Å; I255-L274 HydrophobicContact CG2-CG 4.08Å; I255-L274 CarbonylContact O-C 3.55Å; I255-L274 VanDerWaalsContact O-CA 3.32Å; I255-L274 WeakPolarHBondContact O-CA 3.31Å; R257-L274 HydrophobicContact CG-CD1 4.35Å; R257-L274 HydrophobicContact CG-CD2 3.99Å; R257-L274 HydrophobicContact CG-CG 4.27Å; F268-L274 WeakPolarHBondContact CA-O 3.46Å; F269-L274 HydrophobicContact CB-CB 4.21Å; F269-L274 HydrophobicContact CB-CD2 3.85Å; F269-L274 HydrophobicContact CD1-CB 4.37Å; F269-L274 PolarHBondContact N-O 2.93Å; F269-L274 PolarHBondContact O-N 3.16Å; F269-L274 VanDerWaalsContact O-N 3.11Å; N272-L274 VanDerWaalsContact C-N 3.25Å
275I98.5Very high96.3Very high2 Ų233.2 Ų33.21%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-124.8125168.6177.1166.3000109.7M254 I255 V256 R257 Y266 E267 F268 V294 V304M254-I275 HydrophobicContact CG-CG2 4.41Å; M254-I275 HydrophobicContact SD-CG2 4.09Å; I255-I275 PolarHBondContact O-N 2.83Å; V256-I275 WeakPolarHBondContact CA-O 3.41Å; V256-I275 HydrophobicContact CB-CG2 4.05Å; V256-I275 HydrophobicContact CG1-CG2 3.98Å; V256-I275 HydrophobicContact CG2-CG2 3.65Å; R257-I275 PolarHBondContact N-O 3.48Å; Y266-I275 HydrophobicContact CD2-CD1 4.4Å; E267-I275 WeakPolarHBondContact O-CA 3.34Å; F268-I275 HydrophobicContact CD1-CB 4.14Å; F268-I275 HydrophobicContact CD1-CD1 4.42Å; F268-I275 HydrophobicContact CD1-CG1 4.49Å; F268-I275 HydrophobicContact CE1-CB 4.23Å; F268-I275 HydrophobicContact CE1-CD1 3.9Å; F268-I275 HydrophobicContact CE1-CG1 4.42Å; F268-I275 HydrophobicContact CZ-CD1 4.15Å; I275-V294 HydrophobicContact CD1-CG2 3.66Å; I275-V294 HydrophobicContact CG1-CG2 4.33Å; I275-V304 HydrophobicContact CD1-CG2 3.42Å; I275-V304 VanDerWaalsContact CD1-CG2 3.42Å
276T98.8Very high95.8Very high1 Ų138.8 Ų38.81%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-86.7131.7164.7-60.40000108.1R257 A258 Q260 V262 Y266 E267R257-T276 CarbonylContact O-C 3.52Å; R257-T276 WeakPolarHBondContact O-CA 3.33Å; A258-T276 WeakPolarHBondContact O-CG2 3.25Å; Q260-T276 HydrophobicContact CB-CG2 4.07Å; V262-T276 HydrophobicContact CG1-CG2 3.79Å; V262-T276 HydrophobicContact CG2-CG2 4.26Å; Y266-T276 CarbonylContact C-O 3.49Å; Y266-T276 WeakPolarHBondContact CA-O 3.08Å; E267-T276 PolarHBondContact N-O 2.64Å; E267-T276 PolarHBondContact O-N 3.19Å
277V98.7Very high95.4Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-127.6133.1175.861.90000110.5G73 L100 V256 R257 A258 G292 V294G73-V277 WeakPolarHBondContact CA-O 3.32Å; L100-V277 HydrophobicContact CD1-CG1 3.95Å; V256-V277 HydrophobicContact CG1-CG1 4.15Å; R257-V277 PolarHBondContact O-N 2.76Å; A258-V277 WeakPolarHBondContact CA-O 3.4Å; V277-G292 VanDerWaalsContact CG2-C 3.47Å; V277-G292 WeakPolarHBondContact CG2-O 3.02Å; V277-V294 HydrophobicContact CB-CG2 4.03Å; V277-V294 HydrophobicContact CG1-CG2 4.28Å; V277-V294 HydrophobicContact CG2-CG2 4.14Å
278F98.6Very high95.1Very high1 Ų141.4 Ų41.40%0.00424%0.236CC..  trans-127.4122179.4-161.6-92.5000108.9D74 V261 V262 G265 A280 Y283 A291 G292D74-F278 HydrophobicContact CB-CD2 3.85Å; D74-F278 HydrophobicContact CB-CE2 3.47Å; D74-F278 VanDerWaalsContact CB-CE2 3.47Å; D74-F278 HydrophobicContact CB-CZ 3.86Å; D74-F278 VanDerWaalsContact CG-CE2 3.47Å; D74-F278 WeakPolarHBondContact OD2-CE2 3.36Å; V261-F278 HydrophobicContact CB-CE2 4.36Å; V261-F278 HydrophobicContact CB-CZ 4.47Å; V261-F278 HydrophobicContact CG1-CD1 4.42Å; V261-F278 HydrophobicContact CG1-CE1 4.36Å; V261-F278 HydrophobicContact CG2-CD2 4.31Å; V261-F278 HydrophobicContact CG2-CE1 4.2Å; V261-F278 HydrophobicContact CG2-CE2 3.68Å; V261-F278 HydrophobicContact CG2-CZ 3.65Å; V262-F278 HydrophobicContact CG2-CB 4.05Å; G265-F278 PolarHBondContact O-N 3.31Å; F278-A280 HydrophobicContact CD1-CB 4.19Å; F278-A280 WeakPolarHBondContact CD1-O 3.31Å; F278-A280 HydrophobicContact CE1-CB 3.61Å; F278-A280 VanDerWaalsContact CE1-O 3.31Å; F278-A280 WeakPolarHBondContact CE1-O 3.49Å; F278-A280 HydrophobicContact CZ-CB 4.36Å; F278-Y283 HydrophobicContact CE1-CD1 4.35Å; F278-Y283 AromaticContact CE1-CD2 3.85Å; F278-Y283 HydrophobicContact CE1-CD2 3.85Å; F278-Y283 HydrophobicContact CE1-CE2 4.47Å; F278-Y283 AromaticContact CE1-CG 3.77Å; F278-Y283 HydrophobicContact CE1-CG 3.77Å; F278-Y283 HydrophobicContact CZ-CD1 4.03Å; F278-Y283 AromaticContact CZ-CD2 3.73Å; F278-Y283 HydrophobicContact CZ-CD2 3.73Å; F278-Y283 HydrophobicContact CZ-CE1 4.19Å; F278-Y283 AromaticContact CZ-CE2 3.9Å; F278-Y283 HydrophobicContact CZ-CE2 3.9Å; F278-Y283 AromaticContact CZ-CG 3.79Å; F278-Y283 HydrophobicContact CZ-CG 3.79Å; F278-A291 CarbonylContact O-C 3.05Å; F278-A291 VanDerWaalsContact O-CA 3.27Å; F278-A291 WeakPolarHBondContact O-CA 3.35Å; F278-G292 PolarHBondContact O-N 3.01Å
279S98.4Very high95.1Very high2 Ų237.1 Ų37.11%0.01422%0.217CC..  trans-101.82.9-167.4-67.90000114.5G73 D74 A291 G292G73-S279 PolarHBondContact N-OG 2.82Å; D74-S279 CarbonylContact O-C 3.56Å; D74-S279 WeakPolarHBondContact O-CA 3.13Å; D74-S279 WeakPolarHBondContact O-CB 3.48Å; D74-S279 PolarHBondContact O-N 3.42Å; S279-A291 VanDerWaalsContact C-CB 3.49Å; S279-A291 WeakPolarHBondContact O-CB 3.17Å; S279-G292 PolarHBondContact OG-O 2.9Å
280A96.9Very high95Very high0 Ų037.8 Ų37.80%022%0.221CC..  trans-105103.6177.100000111.7D74 F278 Y283 N289D74-A280 PolarHBondContact O-N 3.04Å; D74-A280 VanDerWaalsContact O-N 3.15Å; F278-A280 HydrophobicContact CD1-CB 4.19Å; F278-A280 WeakPolarHBondContact CD1-O 3.31Å; F278-A280 HydrophobicContact CE1-CB 3.61Å; F278-A280 VanDerWaalsContact CE1-O 3.31Å; F278-A280 WeakPolarHBondContact CE1-O 3.49Å; F278-A280 HydrophobicContact CZ-CB 4.36Å; A280-Y283 HydrophobicContact CB-CD2 4.22Å; A280-N289 PolarHBondContact O-ND2 2.84Å
281P96Very high95.1Very high2 Ų237.8 Ų37.81%0.01322%0.221CC..SBendtrans-79.2153.8178.733.7-31.8000110.3Q78 D81 Y283 A291 P309Q78-P281 PolarHBondContact NE2-O 3.44Å; D81-P281 HydrophobicContact CB-CG 4.16Å; D81-P281 WeakPolarHBondContact OD1-CG 3.49Å; P281-Y283 PolarHBondContact O-N 3.01Å; P281-A291 HydrophobicContact CB-CB 3.77Å; P281-A291 HydrophobicContact CG-CB 3.94Å; P281-P309 HydrophobicContact CB-CG 4.13Å
282N94.5Very high95.2Very high61 Ų6133.6 Ų33.633%0.32619%0.192SC..SBendtrans45.551.7-173.6-177.539000110.7C284 G285 F287 N289 P309N282-C284 PolarHBondContact O-N 2.8Å; N282-G285 WeakPolarHBondContact O-CA 3.43Å; N282-G285 PolarHBondContact O-N 3.18Å; N282-F287 VanDerWaalsContact CA-O 3.25Å; N282-F287 WeakPolarHBondContact CA-O 3.12Å; N282-F287 PolarHBondContact OD1-O 2.83Å; N282-N289 PolarHBondContact N-O 2.95Å; N282-N289 PolarHBondContact N-OD1 3.33Å; N282-P309 HydrophobicContact CB-CB 3.91Å; N282-P309 HydrophobicContact CB-CG 3.84Å
283Y93.6Very high95.3Very high17 Ų1729.3 Ų29.37%0.06717%0.169CC..G310 helixtrans-50136.6-169.5176.6-129.9000110.8H76 R106 V261 F278 A280 P281 G285 V286 F287 N289H76-Y283 HydrophobicContact CB-CE2 3.75Å; H76-Y283 AromaticContact CD2-CE2 3.28Å; H76-Y283 WeakPolarHBondContact CD2-CE2 3.35Å; H76-Y283 AromaticContact CD2-CZ 3.54Å; H76-Y283 PolarHBondContact CD2-OH 2.97Å; H76-Y283 AromaticContact CG-CE2 3.75Å; H76-Y283 AromaticContact NE2-CZ 3.9Å; H76-Y283 PolarHBondContact NE2-OH 3.09Å; H76-Y283 VanDerWaalsContact NE2-OH 3.09Å; R106-Y283 HydrophobicContact CB-CE2 4.35Å; R106-Y283 WeakPolarHBondContact CG-OH 3.3Å; V261-Y283 HydrophobicContact CG1-CD1 4.49Å; V261-Y283 HydrophobicContact CG2-CD1 3.53Å; V261-Y283 HydrophobicContact CG2-CE1 3.73Å; V261-Y283 HydrophobicContact CG2-CG 4.38Å; F278-Y283 HydrophobicContact CE1-CD1 4.35Å; F278-Y283 AromaticContact CE1-CD2 3.85Å; F278-Y283 HydrophobicContact CE1-CD2 3.85Å; F278-Y283 HydrophobicContact CE1-CE2 4.47Å; F278-Y283 AromaticContact CE1-CG 3.77Å; F278-Y283 HydrophobicContact CE1-CG 3.77Å; F278-Y283 HydrophobicContact CZ-CD1 4.03Å; F278-Y283 AromaticContact CZ-CD2 3.73Å; F278-Y283 HydrophobicContact CZ-CD2 3.73Å; F278-Y283 HydrophobicContact CZ-CE1 4.19Å; F278-Y283 AromaticContact CZ-CE2 3.9Å; F278-Y283 HydrophobicContact CZ-CE2 3.9Å; F278-Y283 AromaticContact CZ-CG 3.79Å; F278-Y283 HydrophobicContact CZ-CG 3.79Å; A280-Y283 HydrophobicContact CB-CD2 4.22Å; P281-Y283 PolarHBondContact O-N 3.01Å; Y283-G285 PolarHBondContact O-N 3.15Å; Y283-V286 PolarHBondContact O-N 3.24Å; Y283-F287 HydrophobicContact CD1-CD1 4.34Å; Y283-F287 AromaticContact CD1-CD2 3.6Å; Y283-F287 HydrophobicContact CD1-CD2 3.6Å; Y283-F287 HydrophobicContact CD1-CE1 4.26Å; Y283-F287 AromaticContact CD1-CE2 3.5Å; Y283-F287 HydrophobicContact CD1-CE2 3.5Å; Y283-F287 HydrophobicContact CD1-CG 4.03Å; Y283-F287 AromaticContact CD1-CZ 3.85Å; Y283-F287 HydrophobicContact CD1-CZ 3.85Å; Y283-F287 HydrophobicContact CE1-CE2 4.01Å; Y283-F287 HydrophobicContact CE1-CZ 4.19Å; Y283-F287 HydrophobicContact CG-CD2 4.15Å; Y283-F287 HydrophobicContact CG-CE2 4.43Å; Y283-F287 HydrophobicContact CG-CG 4.49Å; Y283-F287 WeakPolarHBondContact O-CD2 3.28Å; Y283-F287 PolarHBondContact O-N 2.7Å; Y283-F287 VanDerWaalsContact O-N 3.08Å; Y283-N289 WeakPolarHBondContact CB-OD1 3.34Å; Y283-N289 PolarHBondContact N-OD1 2.86Å
284C88.5Confident95.3Very high51 Ų5126.2 Ų26.235%0.34516%0.155SC..G310 helixtrans53.912.9-175.9-640000115.4N282 V286 F287N282-C284 PolarHBondContact O-N 2.8Å; C284-V286 HydrophobicContact CB-CG2 4.01Å; C284-V286 PolarHBondContact O-N 2.69Å; C284-F287 HydrophobicContact CB-CD2 4.44Å; C284-F287 HydrophobicContact CB-CE2 4.49Å
285G85Confident95.3Very high50 Ų5030.4 Ų30.452%0.51517%0.17SC..G310 helixtrans72.45-17400000115.5N282 Y283N282-G285 WeakPolarHBondContact O-CA 3.43Å; N282-G285 PolarHBondContact O-N 3.18Å; Y283-G285 PolarHBondContact O-N 3.15Å
286V86.7Confident95.3Very high117 Ų11730.4 Ų30.471%0.70917%0.17SC*.THydrogen-bonded Turntrans-126.8-20-172.2-60.30000113.7Y283 C284Y283-V286 PolarHBondContact O-N 3.24Å; C284-V286 HydrophobicContact CB-CG2 4.01Å; C284-V286 PolarHBondContact O-N 2.69Å
287F90.9Very high95.3Very high90 Ų9032.4 Ų32.440%0.39518%0.184SC..  trans-83.3151.2175.9-71.1-109.4000110.1V261 N282 Y283 C284 N289V261-F287 HydrophobicContact CB-CE1 4.45Å; V261-F287 HydrophobicContact CG1-CD1 3.89Å; V261-F287 HydrophobicContact CG1-CE1 4.3Å; V261-F287 HydrophobicContact CG2-CE1 4.28Å; N282-F287 VanDerWaalsContact CA-O 3.25Å; N282-F287 WeakPolarHBondContact CA-O 3.12Å; N282-F287 PolarHBondContact OD1-O 2.83Å; Y283-F287 HydrophobicContact CD1-CD1 4.34Å; Y283-F287 AromaticContact CD1-CD2 3.6Å; Y283-F287 HydrophobicContact CD1-CD2 3.6Å; Y283-F287 HydrophobicContact CD1-CE1 4.26Å; Y283-F287 AromaticContact CD1-CE2 3.5Å; Y283-F287 HydrophobicContact CD1-CE2 3.5Å; Y283-F287 HydrophobicContact CD1-CG 4.03Å; Y283-F287 AromaticContact CD1-CZ 3.85Å; Y283-F287 HydrophobicContact CD1-CZ 3.85Å; Y283-F287 HydrophobicContact CE1-CE2 4.01Å; Y283-F287 HydrophobicContact CE1-CZ 4.19Å; Y283-F287 HydrophobicContact CG-CD2 4.15Å; Y283-F287 HydrophobicContact CG-CE2 4.43Å; Y283-F287 HydrophobicContact CG-CG 4.49Å; Y283-F287 WeakPolarHBondContact O-CD2 3.28Å; Y283-F287 PolarHBondContact O-N 2.7Å; Y283-F287 VanDerWaalsContact O-N 3.08Å; C284-F287 HydrophobicContact CB-CD2 4.44Å; C284-F287 HydrophobicContact CB-CE2 4.49Å; F287-N289 VanDerWaalsContact CB-OD1 3.25Å; F287-N289 WeakPolarHBondContact CB-OD1 3.47Å
288N92.4Very high95.2Very high130 Ų13041.9 Ų41.970%0.69522%0.22SC*.  trans-102.638.9175.6-170.533.6000111.9Q263Q263-N288 PolarHBondContact NE2-O 2.71Å
289N96.6Very high95.1Very high2 Ų251.2 Ų51.21%0.01126%0.261CS..  trans-94.1153.3-178.572.1-67.3000112.4V261 Q263 A280 N282 Y283 F287V261-N289 HydrophobicContact CG1-CB 4.12Å; Q263-N289 CarbonylContact O-C 3.58Å; Q263-N289 VanDerWaalsContact O-CA 3.32Å; Q263-N289 WeakPolarHBondContact O-CA 3.09Å; A280-N289 PolarHBondContact O-ND2 2.84Å; N282-N289 PolarHBondContact N-O 2.95Å; N282-N289 PolarHBondContact N-OD1 3.33Å; Y283-N289 WeakPolarHBondContact CB-OD1 3.34Å; Y283-N289 PolarHBondContact N-OD1 2.86Å; F287-N289 VanDerWaalsContact CB-OD1 3.25Å; F287-N289 WeakPolarHBondContact CB-OD1 3.47Å
290D97.2Very high95Very high21 Ų2153.6 Ų53.611%0.11227%0.273CS..  trans-84.5171.8164.1-71.4-16.4000110.8Q263 G265 Q306 R308 P309Q263-D290 PolarHBondContact O-N 3.37Å; G265-D290 WeakPolarHBondContact CA-O 3.15Å; G265-D290 PolarHBondContact N-O 3.33Å; D290-Q306 HydrophobicContact CB-CG 4.04Å; D290-Q306 PolarHBondContact OD2-NE2 2.72Å; D290-R308 WeakPolarHBondContact OD1-CA 3.46Å; D290-P309 WeakPolarHBondContact OD1-CD 3.32Å
291A97.6Very high95Very high2 Ų260.5 Ų60.52%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-108.3151.3170.700000111.8F278 S279 P281 Q306 F307F278-A291 CarbonylContact O-C 3.05Å; F278-A291 VanDerWaalsContact O-CA 3.27Å; F278-A291 WeakPolarHBondContact O-CA 3.35Å; S279-A291 VanDerWaalsContact C-CB 3.49Å; S279-A291 WeakPolarHBondContact O-CB 3.17Å; P281-A291 HydrophobicContact CB-CB 3.77Å; P281-A291 HydrophobicContact CG-CB 3.94Å; A291-Q306 CarbonylContact O-C 3.08Å; A291-Q306 WeakPolarHBondContact O-CA 3.44Å; A291-F307 HydrophobicContact CB-CB 4.2Å; A291-F307 HydrophobicContact CB-CD2 4.26Å; A291-F307 PolarHBondContact N-O 2.78Å; A291-F307 PolarHBondContact O-N 3.32Å
292G97.8Very high95.1Very high0 Ų062.1 Ų62.10%031%0.314CS..EExtended strand (participates in β ladder)trans-124.7157.7176.900000112.7G265 V277 F278 S279 K305G265-G292 WeakPolarHBondContact O-CA 3.4Å; G265-G292 PolarHBondContact O-N 3.49Å; V277-G292 VanDerWaalsContact CG2-C 3.47Å; V277-G292 WeakPolarHBondContact CG2-O 3.02Å; F278-G292 PolarHBondContact O-N 3.01Å; S279-G292 PolarHBondContact OG-O 2.9Å; G292-K305 CarbonylContact C-O 3.53Å; G292-K305 WeakPolarHBondContact CA-O 2.93Å
293M98.3Very high95.2Very high0 Ų062.4 Ų62.40%032%0.318CS..EExtended strand (participates in β ladder)trans-144.4127.2166.9177.3178.876.200108.2N70 I71 L85 Y97 R295 K305 F307N70-M293 HydrophobicContact CB-CE 4.27Å; N70-M293 HydrophobicContact CB-CG 3.96Å; N70-M293 HydrophobicContact CB-SD 3.66Å; I71-M293 WeakPolarHBondContact O-CA 3.32Å; I71-M293 WeakPolarHBondContact O-CG 3.31Å; L85-M293 HydrophobicContact CD1-CB 4.49Å; L85-M293 HydrophobicContact CD1-SD 4.42Å; L85-M293 HydrophobicContact CD2-SD 3.69Å; L85-M293 HydrophobicContact CG-SD 3.92Å; Y97-M293 HydrophobicContact CE1-SD 3.9Å; M293-R295 HydrophobicContact CE-CG 4.37Å; M293-K305 HydrophobicContact CE-CB 4.47Å; M293-K305 PolarHBondContact N-O 3.13Å; M293-K305 PolarHBondContact O-N 3.33Å; M293-F307 HydrophobicContact CB-CE2 3.64Å; M293-F307 HydrophobicContact CB-CZ 4.14Å; M293-F307 HydrophobicContact CE-CZ 4.07Å
294V98.5Very high95.4Very high1 Ų163.6 Ų63.61%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-87.9126179-176.50000108.8N70 I71 V256 I275 V277 V296 C302 V304N70-V294 CarbonylContact C-O 3.48Å; N70-V294 WeakPolarHBondContact CA-O 3.45Å; I71-V294 HydrophobicContact CB-CB 4.22Å; I71-V294 PolarHBondContact N-O 2.81Å; I71-V294 PolarHBondContact O-N 2.86Å; V256-V294 HydrophobicContact CG1-CG2 4.17Å; I275-V294 HydrophobicContact CD1-CG2 3.66Å; I275-V294 HydrophobicContact CG1-CG2 4.33Å; V277-V294 HydrophobicContact CB-CG2 4.03Å; V277-V294 HydrophobicContact CG1-CG2 4.28Å; V277-V294 HydrophobicContact CG2-CG2 4.14Å; V294-V296 HydrophobicContact CG1-CG2 4.47Å; V294-C302 HydrophobicContact CG1-CB 4.15Å; V294-V304 HydrophobicContact CG2-CG2 4.47Å
295R98.2Very high95.7Very high88 Ų8865.3 Ų65.333%0.33233%0.329SS..EExtended strand (participates in β ladder)trans-99.7119.8173.1-55-169.6168.3175.9-7109.2N70 Y88 M293 C302 T303N70-R295 WeakPolarHBondContact OD1-CG 3.32Å; Y88-R295 PolarHBondContact O-NH2 2.96Å; Y88-R295 VanDerWaalsContact O-NH2 3.17Å; M293-R295 HydrophobicContact CE-CG 4.37Å; R295-C302 WeakPolarHBondContact O-CA 3.42Å; R295-T303 PolarHBondContact N-O 3.15Å; R295-T303 PolarHBondContact O-N 3.43Å
296V98.4Very high96.2Very high2 Ų266.2 Ų66.21%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-99.8117173.8-174.20000108.5P67 P68 L69 I71 I176 I180 V294 L300P67-V296 HydrophobicContact CB-CG1 4.15Å; P68-V296 WeakPolarHBondContact CA-O 3.18Å; P68-V296 WeakPolarHBondContact CB-O 3.42Å; L69-V296 HydrophobicContact CD2-CB 4.13Å; L69-V296 PolarHBondContact N-O 3.49Å; L69-V296 VanDerWaalsContact N-O 3.14Å; L69-V296 PolarHBondContact O-N 3.22Å; I71-V296 HydrophobicContact CD1-CG2 3.62Å; I71-V296 HydrophobicContact CG1-CG2 4.2Å; I176-V296 HydrophobicContact CD1-CG2 4.42Å; I180-V296 HydrophobicContact CD1-CG1 3.78Å; I180-V296 HydrophobicContact CD1-CG2 4.32Å; V294-V296 HydrophobicContact CG1-CG2 4.47Å; V296-L300 HydrophobicContact CG1-CD2 4.07Å
297S98Very high96.5Very high43 Ų4361.3 Ų61.330%0.30129%0.289SS..PPolyproline II helixtrans-78.3167.617773.30000112.3P67 K299 L300 K301P67-S297 VanDerWaalsContact CB-O 3.3Å; P67-S297 WeakPolarHBondContact CB-O 3.44Å; S297-K299 PolarHBondContact O-N 3.18Å; S297-K299 VanDerWaalsContact O-N 3.13Å; S297-K299 PolarHBondContact OG-N 3.04Å; S297-L300 WeakPolarHBondContact O-CA 3.4Å; S297-L300 PolarHBondContact O-N 2.78Å; S297-K301 PolarHBondContact N-O 3.27Å; S297-K301 WeakPolarHBondContact OG-CB 3.26Å; S297-K301 PolarHBondContact OG-N 2.98Å; S297-K301 VanDerWaalsContact OG-N 3.11Å; S297-K301 PolarHBondContact OG-O 3.4Å
298R97.2Very high96.6Very high200 Ų20065.7 Ų65.776%0.75530%0.303SS*.THydrogen-bonded Turntrans-56-27.7172.8-70.3-179.3-172.4-111.92.7113.6P68 L300P68-R298 HydrophobicContact CB-CG 4.36Å; P68-R298 HydrophobicContact CG-CG 4.12Å; R298-L300 VanDerWaalsContact C-N 3.28Å
299K97.1Very high96.4Very high197 Ų19761.3 Ų61.386%0.85728%0.281SS*.THydrogen-bonded Turntrans-90.916176.6-62.2-174.2177.4-175.80112.7S297 K301S297-K299 PolarHBondContact O-N 3.18Å; S297-K299 VanDerWaalsContact O-N 3.13Å; S297-K299 PolarHBondContact OG-N 3.04Å; K299-K301 PolarHBondContact O-N 3.03Å
300L96.4Very high95.6Very high51 Ų5164.8 Ų64.827%0.26730%0.304SS..  trans59.39.6-177.5-58.5177000115.8P67 I176 K177 R179 I180 V296 S297 R298 C302P67-L300 HydrophobicContact CB-CD2 4.46Å; P67-L300 HydrophobicContact CG-CD2 3.93Å; I176-L300 HydrophobicContact CG2-CD2 4.14Å; K177-L300 HydrophobicContact CB-CD1 3.96Å; K177-L300 HydrophobicContact CB-CD2 3.96Å; K177-L300 HydrophobicContact CG-CD2 4.01Å; R179-L300 HydrophobicContact CB-CD1 3.95Å; R179-L300 HydrophobicContact CG-CD1 3.92Å; I180-L300 HydrophobicContact CD1-CD2 4.17Å; V296-L300 HydrophobicContact CG1-CD2 4.07Å; S297-L300 WeakPolarHBondContact O-CA 3.4Å; S297-L300 PolarHBondContact O-N 2.78Å; R298-L300 VanDerWaalsContact C-N 3.28Å; L300-C302 PolarHBondContact O-N 3.19Å
301K96.6Very high94.5Very high146 Ų14673 Ų7364%0.63534%0.339SS*.  trans-63.2120.7167.2-175.4178.8-179.2175.10109.5S297 K299 T303S297-K301 PolarHBondContact N-O 3.27Å; S297-K301 WeakPolarHBondContact OG-CB 3.26Å; S297-K301 PolarHBondContact OG-N 2.98Å; S297-K301 VanDerWaalsContact OG-N 3.11Å; S297-K301 PolarHBondContact OG-O 3.4Å; K299-K301 PolarHBondContact O-N 3.03Å; K301-T303 HydrophobicContact CD-CG2 4.48Å; K301-T303 HydrophobicContact CG-CG2 4.35Å
302C97.5Very high93Very high36 Ų3678.8 Ų78.824%0.24338%0.376CS..EExtended strand (participates in β ladder)trans-91.1131.6172.7-64.80000110.2M254 V294 R295 L300M254-C302 HydrophobicContact CE-CB 4.42Å; M254-C302 HydrophobicContact SD-CB 3.97Å; M254-C302 VanDerWaalsContact SD-SG 3.64Å; V294-C302 HydrophobicContact CG1-CB 4.15Å; R295-C302 WeakPolarHBondContact O-CA 3.42Å; L300-C302 PolarHBondContact O-N 3.19Å
303T97.1Very high90.9Very high66 Ų6687.4 Ų87.441%0.40542%0.418SS..EExtended strand (participates in β ladder)trans-134.3142.5172.457.20000109.4R295 K301R295-T303 PolarHBondContact N-O 3.15Å; R295-T303 PolarHBondContact O-N 3.43Å; K301-T303 HydrophobicContact CD-CG2 4.48Å; K301-T303 HydrophobicContact CG-CG2 4.35Å
304V96.9Very high88.4Confident43 Ų4392.1 Ų92.126%0.26145%0.451SS..EExtended strand (participates in β ladder)trans-96.4136.6178.9-1720000110.7Y266 F268 I275 V294Y266-V304 HydrophobicContact CD1-CB 4.25Å; Y266-V304 HydrophobicContact CD1-CG1 3.46Å; Y266-V304 VanDerWaalsContact CD1-CG1 3.46Å; Y266-V304 HydrophobicContact CD2-CB 4.29Å; Y266-V304 HydrophobicContact CD2-CG1 4.19Å; Y266-V304 HydrophobicContact CD2-CG2 3.87Å; Y266-V304 HydrophobicContact CE1-CB 4.42Å; Y266-V304 HydrophobicContact CE1-CG1 3.97Å; Y266-V304 HydrophobicContact CE2-CB 4.45Å; Y266-V304 HydrophobicContact CE2-CG2 4.27Å; Y266-V304 HydrophobicContact CG-CB 4.18Å; Y266-V304 HydrophobicContact CG-CG1 3.58Å; Y266-V304 HydrophobicContact CG-CG2 4.06Å; F268-V304 HydrophobicContact CZ-CG2 4.37Å; I275-V304 HydrophobicContact CD1-CG2 3.42Å; I275-V304 VanDerWaalsContact CD1-CG2 3.42Å; V294-V304 HydrophobicContact CG2-CG2 4.47Å
305K95.6Very high85.9Confident87 Ų8798.9 Ų98.938%0.37849%0.486SS..EExtended strand (participates in β ladder)trans-105.3117.5165.1-172.167.4179.81770109G292 M293 F307G292-K305 CarbonylContact C-O 3.53Å; G292-K305 WeakPolarHBondContact CA-O 2.93Å; M293-K305 HydrophobicContact CE-CB 4.47Å; M293-K305 PolarHBondContact N-O 3.13Å; M293-K305 PolarHBondContact O-N 3.33Å; K305-F307 HydrophobicContact CB-CE1 4.5Å; K305-F307 HydrophobicContact CB-CE2 4.35Å; K305-F307 HydrophobicContact CB-CZ 3.92Å; K305-F307 HydrophobicContact CG-CD1 4.42Å; K305-F307 HydrophobicContact CG-CE1 3.53Å; K305-F307 HydrophobicContact CG-CE2 4.2Å; K305-F307 HydrophobicContact CG-CZ 3.42Å; K305-F307 VanDerWaalsContact CG-CZ 3.42Å; K305-F307 VanDerWaalsContact O-CE2 3.28Å; K305-F307 WeakPolarHBondContact O-CE2 3.32Å
306Q95.7Very high83.3Confident68 Ų68103.1 Ų103.132%0.31851%0.507SS..EExtended strand (participates in β ladder)trans-93.5143.3177.4-175.4174.68.700111.2Y266 D290 A291Y266-Q306 HydrophobicContact CE1-CB 4.44Å; D290-Q306 HydrophobicContact CB-CG 4.04Å; D290-Q306 PolarHBondContact OD2-NE2 2.72Å; A291-Q306 CarbonylContact O-C 3.08Å; A291-Q306 WeakPolarHBondContact O-CA 3.44Å
307F91.8Very high80.6Confident14 Ų14113 Ų1136%0.06155%0.545CS..EExtended strand (participates in β ladder)trans-131.9118.1-179.9-46.9-79.6000109.8Y88 A291 M293 K305Y88-F307 VanDerWaalsContact CB-CE1 3.47Å; Y88-F307 HydrophobicContact CD1-CE1 4.39Å; Y88-F307 AromaticContact CD2-CD1 3.52Å; Y88-F307 HydrophobicContact CD2-CD1 3.52Å; Y88-F307 AromaticContact CD2-CE1 3.54Å; Y88-F307 HydrophobicContact CD2-CE1 3.54Å; Y88-F307 AromaticContact CE2-CD1 3.95Å; Y88-F307 HydrophobicContact CE2-CD1 3.95Å; Y88-F307 HydrophobicContact CE2-CE1 4.38Å; Y88-F307 AromaticContact CG-CD1 3.98Å; Y88-F307 HydrophobicContact CG-CD1 3.98Å; Y88-F307 AromaticContact CG-CE1 3.57Å; Y88-F307 HydrophobicContact CG-CE1 3.57Å; A291-F307 HydrophobicContact CB-CB 4.2Å; A291-F307 HydrophobicContact CB-CD2 4.26Å; A291-F307 PolarHBondContact N-O 2.78Å; A291-F307 PolarHBondContact O-N 3.32Å; M293-F307 HydrophobicContact CB-CE2 3.64Å; M293-F307 HydrophobicContact CB-CZ 4.14Å; M293-F307 HydrophobicContact CE-CZ 4.07Å; K305-F307 HydrophobicContact CB-CE1 4.5Å; K305-F307 HydrophobicContact CB-CE2 4.35Å; K305-F307 HydrophobicContact CB-CZ 3.92Å; K305-F307 HydrophobicContact CG-CD1 4.42Å; K305-F307 HydrophobicContact CG-CE1 3.53Å; K305-F307 HydrophobicContact CG-CE2 4.2Å; K305-F307 HydrophobicContact CG-CZ 3.42Å; K305-F307 VanDerWaalsContact CG-CZ 3.42Å; K305-F307 VanDerWaalsContact O-CE2 3.28Å; K305-F307 WeakPolarHBondContact O-CE2 3.32Å
308R92.9Very high78Confident183 Ų183117 Ų11769%0.69157%0.567SS**PPolyproline II helixtrans-76.5155175.3-64.5-172.8177.8168.42.1111.5R84 D290R84-R308 PolarHBondContact NH2-O 3.15Å; D290-R308 WeakPolarHBondContact OD1-CA 3.46Å
309P88.3Confident75.3Confident37 Ų37114.1 Ų114.124%0.2457%0.567CS.*PPolyproline II helixtrans-49.7147.2167.1-26.233000111.7P281 N282 D290 K311P281-P309 HydrophobicContact CB-CG 4.13Å; N282-P309 HydrophobicContact CB-CB 3.91Å; N282-P309 HydrophobicContact CB-CG 3.84Å; D290-P309 WeakPolarHBondContact OD1-CD 3.32Å; P309-K311 PolarHBondContact O-N 3.47Å
310P80Confident72.9Confident76 Ų76114.2 Ų114.249%0.49457%0.568SS.*PPolyproline II helixtrans-62139.31739.50.9000109.1R84R84-P310 VanDerWaalsContact NH1-CD 3.33Å
311K75.7Confident70.4Confident194 Ų194121 Ų12184%0.84360%0.595SS**PPolyproline II helixtrans-59136.4174.2-69.8-173.2179.2-1770108.8P309 M313P309-K311 PolarHBondContact O-N 3.47Å; K311-M313 PolarHBondContact O-N 2.81Å
312P66Low68Low122 Ų122119.5 Ų119.579%0.79260%0.603SS**PPolyproline II helixtrans-51.6132.1169.7-21.530.2000108.7S314P312-S314 PolarHBondContact O-N 2.95Å
313M53.7Low65.6Low181 Ų181121.9 Ų121.989%0.89263%0.625SS**  trans-58.8113.1171.2-85.8-169.2-89.300107.2K311 I315K311-M313 PolarHBondContact O-N 2.81Å; M313-I315 PolarHBondContact O-N 2.96Å
314S45Very low63.2Low100 Ų100124.5 Ų124.570%0.69965%0.646SS**  trans-59.5109.6171.957.70000107.1P312 K316P312-S314 PolarHBondContact O-N 2.95Å; S314-K316 VanDerWaalsContact C-N 3.25Å; S314-K316 PolarHBondContact O-N 2.92Å
315I46.6Very low60.5Low142 Ų142131.5 Ų131.573%0.72867%0.673SS**  trans-63.596.8168.9-61.4171.7000105M313 Y317M313-I315 PolarHBondContact O-N 2.96Å; I315-Y317 VanDerWaalsContact C-N 3.3Å; I315-Y317 HydrophobicContact CG2-CD2 4.44Å; I315-Y317 PolarHBondContact O-N 2.83Å
316K42.9Very low58.1Low177 Ų177140.7 Ų140.777%0.7771%0.713SS**  trans-64.8101166.3-76.6-171.8177.5-1770105.3S314 V318S314-K316 VanDerWaalsContact C-N 3.25Å; S314-K316 PolarHBondContact O-N 2.92Å; K316-V318 VanDerWaalsContact C-N 3.34Å; K316-V318 PolarHBondContact O-N 2.87Å
317Y42.4Very low56.2Low210 Ų210144.4 Ų144.482%0.82473%0.733SS**  trans-54.4103.1165.6-88.9-95.6000107.1I315 N319I315-Y317 VanDerWaalsContact C-N 3.3Å; I315-Y317 HydrophobicContact CG2-CD2 4.44Å; I315-Y317 PolarHBondContact O-N 2.83Å; Y317-N319 VanDerWaalsContact C-N 3.27Å; Y317-N319 PolarHBondContact O-N 2.84Å
318V42.9Very low54.4Low126 Ų126151.2 Ų151.276%0.76477%0.768SS**  trans-70.496.3168-179.90000105.1K316 K320K316-V318 VanDerWaalsContact C-N 3.34Å; K316-V318 PolarHBondContact O-N 2.87Å; V318-K320 VanDerWaalsContact C-N 3.31Å; V318-K320 PolarHBondContact O-N 2.95Å
319N41.4Very low52.2Low140 Ų140149.4 Ų149.475%0.74977%0.773SS**  trans-58.398169.7-112.6-14.3000107.2Y317 K321Y317-N319 VanDerWaalsContact C-N 3.27Å; Y317-N319 PolarHBondContact O-N 2.84Å; N319-K321 PolarHBondContact O-N 2.82Å
320K45.4Very low50.1Low200 Ų200156.1 Ų156.187%0.8780%0.804SS**  trans-65.985163.8-79.1-175.3176.9179.20106.4V318 S322V318-K320 VanDerWaalsContact C-N 3.31Å; V318-K320 PolarHBondContact O-N 2.95Å; K320-S322 PolarHBondContact O-N 2.91Å
321K43.6Very low48.2Very low193 Ų193161.1 Ų161.184%0.83982%0.823SS**  trans-62.297.9158-80.3-170.6175.8-175.90105.9N319 A323N319-K321 PolarHBondContact O-N 2.82Å; K321-A323 VanDerWaalsContact C-N 3.28Å; K321-A323 PolarHBondContact O-N 2.9Å
322S47.2Very low46.4Very low114 Ų114158.9 Ų158.980%0.79782%0.822SS**  trans-55.297.3161.746.80000107.1K320 S324K320-S322 PolarHBondContact O-N 2.91Å; S322-S324 PolarHBondContact O-N 3.07Å
323A47.2Very low45Very low87 Ų87161.5 Ų161.572%0.71982%0.824SS**  trans-64.6106.9166.500000106.9K321 K325K321-A323 VanDerWaalsContact C-N 3.28Å; K321-A323 PolarHBondContact O-N 2.9Å; A323-K325 PolarHBondContact O-N 3.08Å; A323-K325 VanDerWaalsContact O-N 3.08Å
324S45.7Very low44.4Very low120 Ų120160 Ų16084%0.83982%0.819SS**  trans-48.3109.2161.648.40000109.2S322S322-S324 PolarHBondContact O-N 3.07Å
325K40.6Very low44.3Very low190 Ų190165 Ų16583%0.82683%0.829SS**  trans-129.492.5163-85.3-170176.1-177.40107.6A323A323-K325 PolarHBondContact O-N 3.08Å; A323-K325 VanDerWaalsContact O-N 3.08Å
326K45.7Very low44.1Very low281 Ų281167.1 Ų167.1100%1.22284%0.838SS**  177.10117.8-96178.8178.5-174.90109.3

Retrieved 326 of 326 residues in 1326.9 ms (Link to these results)

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