A0A077Z8G5_TRITR Loading...

Kazal 2 and SPARC Ca bdg and FOLN domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077Z8G5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M34.3Very low47.1Very low246 Ų24678.5 Ų78.5100%1.21239%0.385SS*.  01170-84.3-179.2-92.200106.2
2E41.4Very low47Very low73 Ų7374.7 Ų74.734%0.34137%0.368SS..  trans-73.7139.4-175.6-158.3170.2167.700110.6M4 E6 M7 K10E2-M4 PolarHBondContact O-N 2.67Å; E2-E6 HydrophobicContact CG-CB 3.75Å; E2-E6 WeakPolarHBondContact CG-OE2 3.33Å; E2-E6 WeakPolarHBondContact OE1-CB 3.34Å; E2-M7 HydrophobicContact CB-CG 4.4Å; E2-K10 WeakPolarHBondContact OE1-CD 3.35Å; E2-K10 WeakPolarHBondContact OE1-CE 3.25Å; E2-K10 IonicContact OE1-NZ 2.76Å; E2-K10 PolarHBondContact OE1-NZ 2.87Å; E2-K10 IonicContact OE2-NZ 2.91Å; E2-K10 PolarHBondContact OE2-NZ 3.32Å
3P46.8Very low46.6Very low54 Ų5476.5 Ų76.535%0.35137%0.373SS..  trans-53138.1174.8-23.631.6000111.3V5 E6 M7P3-V5 PolarHBondContact O-N 2.92Å; P3-V5 VanDerWaalsContact O-N 3.09Å; P3-E6 HydrophobicContact CB-CB 4.29Å; P3-E6 HydrophobicContact CB-CG 4.36Å; P3-E6 WeakPolarHBondContact CD-OE2 3.44Å; P3-E6 HydrophobicContact CG-CG 4.26Å; P3-E6 WeakPolarHBondContact O-CA 3.21Å; P3-E6 WeakPolarHBondContact O-CB 3.36Å; P3-E6 PolarHBondContact O-N 3.43Å; P3-M7 PolarHBondContact O-N 3.46Å
4M52.7Low45.9Very low108 Ų10884.2 Ų84.253%0.53240%0.397SS..Hα-helixtrans-54.2-33.6178.1-120.6176.47900112.7E2 M7 I8 L114E2-M4 PolarHBondContact O-N 2.67Å; M4-M7 HydrophobicContact CB-CE 4.27Å; M4-M7 HydrophobicContact CG-CE 3.53Å; M4-M7 PolarHBondContact O-N 3.45Å; M4-I8 VanDerWaalsContact O-CG1 3.23Å; M4-I8 WeakPolarHBondContact O-CG1 2.95Å; M4-I8 PolarHBondContact O-N 3.24Å; M4-L114 HydrophobicContact CE-CD1 3.58Å
5V51Low45.5Very low15 Ų1581.7 Ų81.79%0.09139%0.387CS..Hα-helixtrans-69-38.3177-1790000111.5P3 I8 H9 I193 A197P3-V5 PolarHBondContact O-N 2.92Å; P3-V5 VanDerWaalsContact O-N 3.09Å; V5-I8 PolarHBondContact O-N 3.38Å; V5-I8 VanDerWaalsContact O-N 3.15Å; V5-H9 VanDerWaalsContact CG1-CD2 3.45Å; V5-H9 WeakPolarHBondContact CG1-CD2 3.48Å; V5-H9 VanDerWaalsContact CG1-NE2 3.32Å; V5-H9 WeakPolarHBondContact CG1-NE2 3.46Å; V5-H9 PolarHBondContact O-CD2 3.02Å; V5-H9 PolarHBondContact O-N 2.91Å; V5-I193 HydrophobicContact CG1-CG2 3.75Å; V5-A197 HydrophobicContact CB-CB 4.1Å; V5-A197 HydrophobicContact CG1-CB 3.61Å; V5-A197 HydrophobicContact CG2-CB 3.86Å
6E47.7Very low44.4Very low61 Ų6182.1 Ų82.129%0.28540%0.398SS..Hα-helixtrans-65.4-40.8171.6-83.1-178-165.800111.6E2 P3 I8 H9 K10 P194E2-E6 HydrophobicContact CG-CB 3.75Å; E2-E6 WeakPolarHBondContact CG-OE2 3.33Å; E2-E6 WeakPolarHBondContact OE1-CB 3.34Å; P3-E6 HydrophobicContact CB-CB 4.29Å; P3-E6 HydrophobicContact CB-CG 4.36Å; P3-E6 WeakPolarHBondContact CD-OE2 3.44Å; P3-E6 HydrophobicContact CG-CG 4.26Å; P3-E6 WeakPolarHBondContact O-CA 3.21Å; P3-E6 WeakPolarHBondContact O-CB 3.36Å; P3-E6 PolarHBondContact O-N 3.43Å; E6-I8 PolarHBondContact O-N 3.43Å; E6-H9 PolarHBondContact O-N 2.95Å; E6-K10 VanDerWaalsContact O-CB 3.25Å; E6-K10 WeakPolarHBondContact O-CB 3.44Å; E6-K10 WeakPolarHBondContact O-CG 3.43Å; E6-K10 PolarHBondContact O-N 3.44Å; E6-P194 HydrophobicContact CG-CB 3.8Å; E6-P194 HydrophobicContact CG-CG 3.92Å; E6-P194 WeakPolarHBondContact OE1-CB 3.22Å
7M48.6Very low43.8Very low89 Ų8982.8 Ų82.844%0.43841%0.414SS..Hα-helixtrans-58.9-39.3171.1-63.8-166.3-62.800110.9E2 P3 M4 K10 E11E2-M7 HydrophobicContact CB-CG 4.4Å; P3-M7 PolarHBondContact O-N 3.46Å; M4-M7 HydrophobicContact CB-CE 4.27Å; M4-M7 HydrophobicContact CG-CE 3.53Å; M4-M7 PolarHBondContact O-N 3.45Å; M7-K10 PolarHBondContact O-N 3.39Å; M7-E11 WeakPolarHBondContact O-CG 3.35Å; M7-E11 PolarHBondContact O-N 3.45Å
8I50.7Low43.5Very low10 Ų1085.7 Ų85.75%0.05143%0.426CS..Hα-helixtrans-66.5-43.2-179.2-72.7166.1000111.2M4 V5 E6 E11 D12 W41 I84 Y88 L111M4-I8 VanDerWaalsContact O-CG1 3.23Å; M4-I8 WeakPolarHBondContact O-CG1 2.95Å; M4-I8 PolarHBondContact O-N 3.24Å; V5-I8 PolarHBondContact O-N 3.38Å; V5-I8 VanDerWaalsContact O-N 3.15Å; E6-I8 PolarHBondContact O-N 3.43Å; I8-E11 PolarHBondContact O-N 3.32Å; I8-D12 PolarHBondContact O-N 2.99Å; I8-W41 VanDerWaalsContact CA-CH2 3.41Å; I8-W41 HydrophobicContact CB-CH2 3.74Å; I8-W41 HydrophobicContact CB-CZ2 4.42Å; I8-W41 HydrophobicContact CB-CZ3 4.34Å; I8-W41 HydrophobicContact CG1-CH2 3.81Å; I8-W41 HydrophobicContact CG1-CZ2 3.99Å; I8-W41 HydrophobicContact CG2-CH2 3.5Å; I8-W41 HydrophobicContact CG2-CZ2 4.42Å; I8-W41 HydrophobicContact CG2-CZ3 3.59Å; I8-W41 VanDerWaalsContact O-CH2 3.22Å; I8-W41 WeakPolarHBondContact O-CH2 3.42Å; I8-W41 WeakPolarHBondContact O-CZ3 3.48Å; I8-I84 HydrophobicContact CD1-CD1 3.88Å; I8-I84 HydrophobicContact CG1-CD1 4.36Å; I8-Y88 WeakPolarHBondContact CG2-OH 3.4Å; I8-L111 HydrophobicContact CB-CD2 4.41Å; I8-L111 HydrophobicContact CD1-CD2 3.33Å; I8-L111 HydrophobicContact CG1-CD2 4.4Å; I8-L111 HydrophobicContact CG2-CB 4.14Å; I8-L111 HydrophobicContact CG2-CD2 3.88Å
9H50.9Low43.1Very low7 Ų784.6 Ų84.63%0.03244%0.439CS..Hα-helixtrans-75.6-31.6177.4-68-46.7000113.7V5 E6 E11 D12 K13 L111 H190 I193V5-H9 VanDerWaalsContact CG1-CD2 3.45Å; V5-H9 WeakPolarHBondContact CG1-CD2 3.48Å; V5-H9 VanDerWaalsContact CG1-NE2 3.32Å; V5-H9 WeakPolarHBondContact CG1-NE2 3.46Å; V5-H9 PolarHBondContact O-CD2 3.02Å; V5-H9 PolarHBondContact O-N 2.91Å; E6-H9 PolarHBondContact O-N 2.95Å; H9-E11 VanDerWaalsContact C-N 3.31Å; H9-D12 IonicContact ND1-OD2 3.02Å; H9-D12 CarbonylContact O-C 3.56Å; H9-D12 WeakPolarHBondContact O-CA 3.32Å; H9-D12 WeakPolarHBondContact O-CB 3.37Å; H9-D12 PolarHBondContact O-N 3.46Å; H9-D12 VanDerWaalsContact O-N 3.11Å; H9-K13 PolarHBondContact O-N 2.92Å; H9-L111 PolarHBondContact CE1-O 3.34Å; H9-H190 AromaticContact CG-CE1 3.62Å; H9-H190 AromaticContact ND1-CE1 3.43Å; H9-H190 PolarHBondContact ND1-CE1 3.4Å; H9-H190 AromaticContact ND1-ND1 3.92Å; H9-I193 VanDerWaalsContact CE1-CD1 3.44Å; H9-I193 WeakPolarHBondContact CE1-CD1 3.39Å; H9-I193 WeakPolarHBondContact NE2-CG2 3.43Å
10K47.9Very low42.7Very low99 Ų9987 Ų8743%0.4345%0.453SS..Hα-helixtrans-62.9-41.3169.2-82.3-170.8175.3170.20110.1E2 E6 M7 D12 K13 Y14E2-K10 WeakPolarHBondContact OE1-CD 3.35Å; E2-K10 WeakPolarHBondContact OE1-CE 3.25Å; E2-K10 IonicContact OE1-NZ 2.76Å; E2-K10 PolarHBondContact OE1-NZ 2.87Å; E2-K10 IonicContact OE2-NZ 2.91Å; E2-K10 PolarHBondContact OE2-NZ 3.32Å; E6-K10 VanDerWaalsContact O-CB 3.25Å; E6-K10 WeakPolarHBondContact O-CB 3.44Å; E6-K10 WeakPolarHBondContact O-CG 3.43Å; E6-K10 PolarHBondContact O-N 3.44Å; M7-K10 PolarHBondContact O-N 3.39Å; K10-D12 VanDerWaalsContact C-N 3.3Å; K10-D12 PolarHBondContact O-N 2.97Å; K10-K13 CarbonylContact O-C 3.38Å; K10-K13 PolarHBondContact O-N 3.19Å; K10-K13 VanDerWaalsContact O-N 3.1Å; K10-Y14 WeakPolarHBondContact O-CB 3.47Å; K10-Y14 VanDerWaalsContact O-CD2 3.29Å; K10-Y14 WeakPolarHBondContact O-CD2 3.31Å; K10-Y14 PolarHBondContact O-N 3.19Å
11E46.3Very low42.5Very low101 Ų10191 Ų9147%0.47247%0.469SS..Hα-helixtrans-64.5-32.5171-75.7-173.4-157.600112.2M7 I8 H9 Y14 L15 W41M7-E11 WeakPolarHBondContact O-CG 3.35Å; M7-E11 PolarHBondContact O-N 3.45Å; I8-E11 PolarHBondContact O-N 3.32Å; H9-E11 VanDerWaalsContact C-N 3.31Å; E11-Y14 CarbonylContact O-C 3.53Å; E11-L15 WeakPolarHBondContact O-CA 3.49Å; E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 WeakPolarHBondContact O-CD1 3.41Å; E11-L15 PolarHBondContact O-N 3.42Å; E11-W41 HydrophobicContact CB-CH2 3.52Å; E11-W41 HydrophobicContact CB-CZ2 3.99Å; E11-W41 HydrophobicContact CB-CZ3 4.2Å; E11-W41 VanDerWaalsContact CD-CZ2 3.48Å; E11-W41 HydrophobicContact CG-CH2 4.28Å; E11-W41 HydrophobicContact CG-CZ2 4.29Å; E11-W41 WeakPolarHBondContact OE2-CH2 3.31Å; E11-W41 WeakPolarHBondContact OE2-CZ2 3.41Å; E11-W41 PolarHBondContact OE2-NE1 3.05Å
12D46.3Very low42.8Very low33 Ų3381.9 Ų81.918%0.17643%0.429CS..Hα-helixtrans-67.3-29.6168.6-81.8-44.5000113.4I8 H9 K10 L15 Y88 R91I8-D12 PolarHBondContact O-N 2.99Å; H9-D12 IonicContact ND1-OD2 3.02Å; H9-D12 CarbonylContact O-C 3.56Å; H9-D12 WeakPolarHBondContact O-CA 3.32Å; H9-D12 WeakPolarHBondContact O-CB 3.37Å; H9-D12 PolarHBondContact O-N 3.46Å; H9-D12 VanDerWaalsContact O-N 3.11Å; K10-D12 VanDerWaalsContact C-N 3.3Å; K10-D12 PolarHBondContact O-N 2.97Å; D12-L15 HydrophobicContact CB-CD1 4.33Å; D12-L15 VanDerWaalsContact O-CB 3.31Å; D12-L15 WeakPolarHBondContact O-CB 3.34Å; D12-L15 VanDerWaalsContact OD1-CD1 3.24Å; D12-L15 WeakPolarHBondContact OD1-CD1 3.35Å; D12-Y88 PolarHBondContact OD2-OH 2.98Å; D12-R91 IonicContact OD1-CZ 3.79Å; D12-R91 IonicContact OD1-NH1 2.65Å; D12-R91 PolarHBondContact OD1-NH1 3.31Å; D12-R91 IonicContact OD1-NH2 3.24Å; D12-R91 PolarHBondContact OD1-NH2 3.22Å; D12-R91 IonicContact OD2-NH1 3.82Å
13K41.6Very low42.8Very low99 Ų9987.4 Ų87.443%0.4345%0.452SS..Hα-helixtrans-84.7-29174.1-68.5-167.7-177.7-169.10113.6H9 K10 L15 K181 H190H9-K13 PolarHBondContact O-N 2.92Å; K10-K13 CarbonylContact O-C 3.38Å; K10-K13 PolarHBondContact O-N 3.19Å; K10-K13 VanDerWaalsContact O-N 3.1Å; K13-L15 VanDerWaalsContact C-N 3.3Å; K13-K181 PolarHBondContact NZ-O 2.98Å; K13-H190 VanDerWaalsContact CE-CD2 3.45Å; K13-H190 WeakPolarHBondContact CE-CD2 2.86Å; K13-H190 VanDerWaalsContact CE-NE2 3.25Å; K13-H190 WeakPolarHBondContact CE-NE2 3.37Å
14Y37.2Very low42.5Very low184 Ų18494.4 Ų94.472%0.72248%0.477SS*.SBendtrans-88-0.7170-81.3-80.6000112.4K10 E11 P16K10-Y14 WeakPolarHBondContact O-CB 3.47Å; K10-Y14 VanDerWaalsContact O-CD2 3.29Å; K10-Y14 WeakPolarHBondContact O-CD2 3.31Å; K10-Y14 PolarHBondContact O-N 3.19Å; E11-Y14 CarbonylContact O-C 3.53Å; Y14-P16 WeakPolarHBondContact O-CD 3.22Å; Y14-P16 VanDerWaalsContact O-N 3.16Å
15L38.7Very low42.6Very low47 Ų4793.5 Ų93.525%0.24647%0.474CS..SBendtrans-63.7115.4175.4-126.1134.5000106.3E11 D12 K13 S17E11-L15 WeakPolarHBondContact O-CA 3.49Å; E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 WeakPolarHBondContact O-CD1 3.41Å; E11-L15 PolarHBondContact O-N 3.42Å; D12-L15 HydrophobicContact CB-CD1 4.33Å; D12-L15 VanDerWaalsContact O-CB 3.31Å; D12-L15 WeakPolarHBondContact O-CB 3.34Å; D12-L15 VanDerWaalsContact OD1-CD1 3.24Å; D12-L15 WeakPolarHBondContact OD1-CD1 3.35Å; K13-L15 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 2.97Å; L15-S17 VanDerWaalsContact O-N 3.08Å
16P28.3Very low42.8Very low87 Ų87102 Ų10257%0.56551%0.51SS*.  trans-54.9125.3178.4-23.333.2000108.4Y14 E18 D20Y14-P16 WeakPolarHBondContact O-CD 3.22Å; Y14-P16 VanDerWaalsContact O-N 3.16Å; P16-E18 PolarHBondContact O-N 3.23Å; P16-D20 HydrophobicContact CB-CB 4.13Å
17S34.6Very low43.2Very low95 Ų95105.6 Ų105.666%0.66453%0.53SS*.  trans-43.2132.8160.6171.70000108.1L15 G19 D20L15-S17 PolarHBondContact O-N 2.97Å; L15-S17 VanDerWaalsContact O-N 3.08Å; S17-G19 PolarHBondContact O-N 3.1Å; S17-D20 PolarHBondContact O-N 3.45Å; S17-D20 VanDerWaalsContact O-N 3.16Å
18E37.4Very low43.9Very low134 Ų134105.5 Ų105.563%0.62653%0.534SS*.THydrogen-bonded Turntrans-58.3102.4177.3-64.3-158.315400108.4P16 K43P16-E18 PolarHBondContact O-N 3.23Å; E18-K43 IonicContact OE1-NZ 2.61Å; E18-K43 PolarHBondContact OE1-NZ 2.92Å
19G36.5Very low44.6Very low66 Ų66111 Ų11168%0.6857%0.571SS**THydrogen-bonded Turntrans147.9-22.2-172.400000114.5S17 E21S17-G19 PolarHBondContact O-N 3.1Å; G19-E21 PolarHBondContact O-N 3.41Å
20D34.6Very low45.6Very low132 Ų132115 Ų11571%0.70661%0.614SS**  trans-75.998.1-178.9-108-31000111.8P16 S17 S22P16-D20 HydrophobicContact CB-CB 4.13Å; S17-D20 PolarHBondContact O-N 3.45Å; S17-D20 VanDerWaalsContact O-N 3.16Å; D20-S22 PolarHBondContact O-N 2.81Å; D20-S22 VanDerWaalsContact O-N 3.16Å
21E38.6Very low47.2Very low171 Ų171113.9 Ų113.980%0.79962%0.615SS**  trans-48.2114.6171.9-65.1-178.5139.600110.3G19 K23G19-E21 PolarHBondContact O-N 3.41Å; E21-K23 PolarHBondContact O-N 3.19Å
22S40.5Very low49Very low54 Ų54113.5 Ų113.538%0.37862%0.617SS.*  trans22.2102.814541.70000114.7D20 K24 K52D20-S22 PolarHBondContact O-N 2.81Å; D20-S22 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact O-N 3.44Å; S22-K52 PolarHBondContact OG-NZ 3.42Å
23K41.6Very low51Low189 Ų189113.8 Ų113.882%0.82262%0.62SS**  trans-42.7123.8141.8-80.1-176.3178.5175.90105.7E21 D25E21-K23 PolarHBondContact O-N 3.19Å; K23-D25 PolarHBondContact O-N 3.1Å
24K40.3Very low53.4Low202 Ų202110.1 Ų110.188%0.87861%0.607SS**  trans-64.580.9-177.9-76.2-179.7177.7175.30108.5S22 K26S22-K24 PolarHBondContact O-N 3.44Å; K24-K26 PolarHBondContact O-N 3.03Å; K24-K26 VanDerWaalsContact O-N 3.11Å
25D54.7Low55.9Low88 Ų88104.4 Ų104.447%0.47160%0.598SS.*  trans-65.6110.3167.7-67-35.4000105.9K23 I27K23-D25 PolarHBondContact O-N 3.1Å; D25-I27 PolarHBondContact O-N 3.19Å; D25-I27 VanDerWaalsContact O-N 3.15Å
26K55.9Low58.1Low193 Ų193107.9 Ų107.984%0.83962%0.616SS**  trans-61.4117.8174-67-179.3-179.5178.70107K24 V28K24-K26 PolarHBondContact O-N 3.03Å; K24-K26 VanDerWaalsContact O-N 3.11Å; K26-V28 PolarHBondContact O-N 3.09Å
27I56.5Low61.1Low137 Ų137106 Ų10670%0.70360%0.6SS**  trans-63.8106.8174.6-58.3174.1000107.1D25D25-I27 PolarHBondContact O-N 3.19Å; D25-I27 VanDerWaalsContact O-N 3.15Å
28V63.5Low63.8Low87 Ų87110.5 Ų110.553%0.52761%0.608SS.*  trans-88.2123.5172.6-1780000108.1K26 G30 V31K26-V28 PolarHBondContact O-N 3.09Å; V28-G30 PolarHBondContact O-N 3.11Å; V28-V31 HydrophobicContact CB-CG2 4.39Å; V28-V31 HydrophobicContact CG1-CG2 4.28Å; V28-V31 PolarHBondContact O-N 3.09Å
29P64.5Low66.4Low126 Ų126105.7 Ų105.782%0.81859%0.588SS**THydrogen-bonded Turntrans-56.9128.9176.6-23.132.9000111.3
30G72.3Confident68.9Low91 Ų91104.1 Ų104.194%0.93857%0.572SS**THydrogen-bonded Turntrans93.6-7.3177.600000116V28V28-G30 PolarHBondContact O-N 3.11Å
31V81Confident71.5Confident76 Ų76100.8 Ų100.846%0.46155%0.55SS..SBendtrans-104.9131.2174-176.60000109.3V28 P33 A35V28-V31 HydrophobicContact CB-CG2 4.39Å; V28-V31 HydrophobicContact CG1-CG2 4.28Å; V28-V31 PolarHBondContact O-N 3.09Å; V31-P33 VanDerWaalsContact O-CD 3.29Å; V31-P33 WeakPolarHBondContact O-CD 3.5Å; V31-A35 HydrophobicContact CG1-CB 4.25Å
32N84.2Confident74Confident93 Ų9393 Ų9350%0.49752%0.515SS..  trans-58.2120.8173.1-179.5-9.3000109C34 A35N32-C34 PolarHBondContact O-N 3.15Å; N32-C34 WeakPolarHBondContact OD1-CB 3.27Å; N32-C34 PolarHBondContact OD1-N 3.5Å; N32-A35 HydrophobicContact CB-CB 4.42Å; N32-A35 WeakPolarHBondContact O-CB 3.17Å; N32-A35 PolarHBondContact O-N 3.31Å
33P87.7Confident76.7Confident38 Ų3893.1 Ų93.125%0.24751%0.509CS..THydrogen-bonded Turntrans-57.7-21.9178.7-24.934000114V31 H37 L47 P53V31-P33 VanDerWaalsContact O-CD 3.29Å; V31-P33 WeakPolarHBondContact O-CD 3.5Å; P33-H37 WeakPolarHBondContact O-CB 3.46Å; P33-L47 HydrophobicContact CB-CD2 3.81Å; P33-L47 HydrophobicContact CG-CD2 3.92Å; P33-P53 HydrophobicContact CB-CB 4.43Å; P33-P53 HydrophobicContact CB-CG 4.15Å
34C93.3Very high79.2Confident23 Ų2386.2 Ų86.216%0.15548%0.48CS..THydrogen-bonded Turntrans-77-15.2173.2-750000114.6N32 N36 H37 C45N32-C34 PolarHBondContact O-N 3.15Å; N32-C34 WeakPolarHBondContact OD1-CB 3.27Å; N32-C34 PolarHBondContact OD1-N 3.5Å; C34-N36 VanDerWaalsContact C-N 3.27Å; C34-N36 PolarHBondContact O-N 3.27Å; C34-H37 PolarHBondContact O-N 2.85Å; C34-C45 WeakPolarHBondContact CA-SG 3.14Å; C34-C45 HydrophobicContact CB-CB 3.6Å; C34-C45 WeakPolarHBondContact CB-SG 3.3Å; C34-C45 WeakPolarHBondContact SG-CB 3.3Å; C34-C45 CovalentContact SG-SG 2.04Å; C34-C45 PolarHBondContact SG-SG 3.4Å
35A88.7Confident81.9Confident64 Ų6478.2 Ų78.253%0.52945%0.449SS..THydrogen-bonded Turntrans-62.9-33.1-176.100000113V31 N32V31-A35 HydrophobicContact CG1-CB 4.25Å; N32-A35 HydrophobicContact CB-CB 4.42Å; N32-A35 WeakPolarHBondContact O-CB 3.17Å; N32-A35 PolarHBondContact O-N 3.31Å
36N85.3Confident83.7Confident120 Ų12078 Ų7864%0.64244%0.444SS*.THydrogen-bonded Turntrans-113.99.1178.1-67.7-20.5000112.8C34C34-N36 VanDerWaalsContact C-N 3.27Å; C34-N36 PolarHBondContact O-N 3.27Å
37H91.6Very high85.5Confident47 Ų4772.8 Ų72.822%0.21842%0.424CS..  trans-97.5111.1-179.6-170.979.7000110.7P33 C34 P53 C55P33-H37 WeakPolarHBondContact O-CB 3.46Å; C34-H37 PolarHBondContact O-N 2.85Å; H37-P53 HydrophobicContact CB-CB 3.87Å; H37-P53 HydrophobicContact CB-CG 4.18Å; H37-C55 PolarHBondContact NE2-SG 2.87Å
38F90.6Very high87.1Confident190 Ų19068.9 Ų68.983%0.83341%0.405SS*.PPolyproline II helixtrans-87.5116.5-179.6-65.7-81.9000111.1
39C93.4Very high88.5Confident32 Ų3274.6 Ų74.622%0.21643%0.426CS..PPolyproline II helixtrans-90144.2167.6-67.40000110.3K43 C55C39-K43 HydrophobicContact CB-CB 3.91Å; C39-C55 WeakPolarHBondContact CA-SG 3.09Å; C39-C55 HydrophobicContact CB-CB 3.79Å; C39-C55 WeakPolarHBondContact CB-SG 2.88Å; C39-C55 WeakPolarHBondContact SG-CA 3.2Å; C39-C55 WeakPolarHBondContact SG-CB 3.44Å; C39-C55 CovalentContact SG-SG 2.04Å; C39-C55 PolarHBondContact SG-SG 2.93Å
40G87.2Confident89.7Confident33 Ų3377.7 Ų77.734%0.3443%0.427SS..PPolyproline II helixtrans-59.3163.6171.400000112K43G40-K43 VanDerWaalsContact O-CB 3.24Å; G40-K43 WeakPolarHBondContact O-CB 3.39Å; G40-K43 PolarHBondContact O-N 2.76Å
41W89.6Confident90.5Very high63 Ų6374.8 Ų74.824%0.23940%0.396CS..THydrogen-bonded Turntrans-57.7151.9-173.2-58.4-48.4000114.6I8 E11 K43 I84 Y88I8-W41 VanDerWaalsContact CA-CH2 3.41Å; I8-W41 HydrophobicContact CB-CH2 3.74Å; I8-W41 HydrophobicContact CB-CZ2 4.42Å; I8-W41 HydrophobicContact CB-CZ3 4.34Å; I8-W41 HydrophobicContact CG1-CH2 3.81Å; I8-W41 HydrophobicContact CG1-CZ2 3.99Å; I8-W41 HydrophobicContact CG2-CH2 3.5Å; I8-W41 HydrophobicContact CG2-CZ2 4.42Å; I8-W41 HydrophobicContact CG2-CZ3 3.59Å; I8-W41 VanDerWaalsContact O-CH2 3.22Å; I8-W41 WeakPolarHBondContact O-CH2 3.42Å; I8-W41 WeakPolarHBondContact O-CZ3 3.48Å; E11-W41 HydrophobicContact CB-CH2 3.52Å; E11-W41 HydrophobicContact CB-CZ2 3.99Å; E11-W41 HydrophobicContact CB-CZ3 4.2Å; E11-W41 VanDerWaalsContact CD-CZ2 3.48Å; E11-W41 HydrophobicContact CG-CH2 4.28Å; E11-W41 HydrophobicContact CG-CZ2 4.29Å; E11-W41 WeakPolarHBondContact OE2-CH2 3.31Å; E11-W41 WeakPolarHBondContact OE2-CZ2 3.41Å; E11-W41 PolarHBondContact OE2-NE1 3.05Å; W41-K43 PolarHBondContact O-N 3.22Å; W41-K43 VanDerWaalsContact O-N 3.14Å; W41-I84 HydrophobicContact CD2-CD1 4.5Å; W41-Y88 HydrophobicContact CB-CD2 3.49Å; W41-Y88 VanDerWaalsContact CB-CD2 3.49Å; W41-Y88 HydrophobicContact CB-CE2 4.23Å; W41-Y88 HydrophobicContact CB-CG 3.78Å; W41-Y88 HydrophobicContact CD2-CD2 4.02Å; W41-Y88 AromaticContact CD2-CE2 3.85Å; W41-Y88 HydrophobicContact CD2-CE2 3.85Å; W41-Y88 HydrophobicContact CE3-CD1 4.47Å; W41-Y88 AromaticContact CE3-CD2 3.62Å; W41-Y88 HydrophobicContact CE3-CD2 3.62Å; W41-Y88 HydrophobicContact CE3-CE1 4.06Å; W41-Y88 AromaticContact CE3-CE2 3.13Å; W41-Y88 HydrophobicContact CE3-CE2 3.13Å; W41-Y88 HydrophobicContact CE3-CG 4.26Å; W41-Y88 AromaticContact CE3-CZ 3.37Å; W41-Y88 HydrophobicContact CG-CD2 4.06Å; W41-Y88 HydrophobicContact CG-CE2 4.36Å; W41-Y88 HydrophobicContact CZ3-CE1 4.48Å; W41-Y88 AromaticContact CZ3-CE2 3.73Å; W41-Y88 HydrophobicContact CZ3-CE2 3.73Å; W41-Y88 AromaticContact CZ3-CZ 3.64Å; W41-Y88 WeakPolarHBondContact CZ3-OH 3.41Å; W41-Y88 WeakPolarHBondContact O-CB 3.49Å
42G92.5Very high91Very high7 Ų775.7 Ų75.77%0.07239%0.394CS..THydrogen-bonded Turntrans6510.5-176.600000113.3A58G42-A58 WeakPolarHBondContact O-CB 3.48Å; G42-A58 PolarHBondContact O-N 3.28Å
43K96.5Very high91.5Very high57 Ų5772.2 Ų72.225%0.24838%0.376CS..EExtended strand (participates in β ladder)trans-117.6154.3171.8-57.3179.2176.9-175.60109.9E18 C39 G40 W41 C55 H56 C92E18-K43 IonicContact OE1-NZ 2.61Å; E18-K43 PolarHBondContact OE1-NZ 2.92Å; C39-K43 HydrophobicContact CB-CB 3.91Å; G40-K43 VanDerWaalsContact O-CB 3.24Å; G40-K43 WeakPolarHBondContact O-CB 3.39Å; G40-K43 PolarHBondContact O-N 2.76Å; W41-K43 PolarHBondContact O-N 3.22Å; W41-K43 VanDerWaalsContact O-N 3.14Å; K43-C55 HydrophobicContact CB-CB 4.27Å; K43-C55 HydrophobicContact CD-CB 4.16Å; K43-H56 CarbonylContact C-O 3.4Å; K43-H56 WeakPolarHBondContact CA-O 3.33Å; K43-H56 VanDerWaalsContact CB-O 3.24Å; K43-H56 WeakPolarHBondContact CB-O 3.34Å; K43-C92 HydrophobicContact CG-CB 4.42Å
44E94.3Very high91.8Very high44 Ų4472.3 Ų72.321%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-128.8149176.667.3-169-169.200109.7K46 C55 H56 A58 T59E44-K46 WeakPolarHBondContact OE1-CE 3.43Å; E44-K46 IonicContact OE1-NZ 2.7Å; E44-K46 PolarHBondContact OE1-NZ 2.88Å; E44-C55 WeakPolarHBondContact O-CA 2.99Å; E44-H56 PolarHBondContact N-O 3.35Å; E44-H56 PolarHBondContact O-N 3.43Å; E44-A58 WeakPolarHBondContact OE2-CA 3.46Å; E44-T59 VanDerWaalsContact OE1-CG2 3.31Å; E44-T59 WeakPolarHBondContact OE1-CG2 3.29Å; E44-T59 PolarHBondContact OE1-N 3.04Å; E44-T59 PolarHBondContact OE1-OG1 2.76Å; E44-T59 PolarHBondContact OE2-N 3.11Å; E44-T59 VanDerWaalsContact OE2-N 3.07Å; E44-T59 PolarHBondContact OE2-OG1 3.26Å
45C95.8Very high92Very high33 Ų3372.8 Ų72.822%0.22338%0.38CS..EExtended strand (participates in β ladder)trans-83.2130.7178.6-176.50000110.9C34 P53C34-C45 WeakPolarHBondContact CA-SG 3.14Å; C34-C45 HydrophobicContact CB-CB 3.6Å; C34-C45 WeakPolarHBondContact CB-SG 3.3Å; C34-C45 WeakPolarHBondContact SG-CB 3.3Å; C34-C45 CovalentContact SG-SG 2.04Å; C34-C45 PolarHBondContact SG-SG 3.4Å; C45-P53 WeakPolarHBondContact SG-CB 3.22Å
46K94.3Very high92.3Very high85 Ų8573 Ų7337%0.3737%0.37SS..EExtended strand (participates in β ladder)trans-129155.9169.8-65.9-178.8173.7160.60109.6E44 P53 T54 H56E44-K46 WeakPolarHBondContact OE1-CE 3.43Å; E44-K46 IonicContact OE1-NZ 2.7Å; E44-K46 PolarHBondContact OE1-NZ 2.88Å; K46-P53 CarbonylContact O-C 3.59Å; K46-T54 PolarHBondContact N-O 3.16Å; K46-T54 PolarHBondContact O-N 3.41Å; K46-T54 PolarHBondContact O-OG1 3.12Å; K46-H56 HydrophobicContact CD-CB 4.36Å
47L92.8Very high92.9Very high82 Ų8267.9 Ų67.943%0.42934%0.343SS..EExtended strand (participates in β ladder)trans-87.6133.9173.2-56.9-178.2000109.5P33 K52 P53P33-L47 HydrophobicContact CB-CD2 3.81Å; P33-L47 HydrophobicContact CG-CD2 3.92Å; L47-K52 WeakPolarHBondContact CA-O 3.4Å; L47-P53 HydrophobicContact CD2-CB 4.44Å
48N90.9Very high93.1Very high56 Ų5665.9 Ų65.930%0.29934%0.335SS..  trans-77179.1168.871.811.2000111.3K50 G51 K52 T54N48-K50 PolarHBondContact O-N 3.32Å; N48-K50 WeakPolarHBondContact OD1-CA 3.33Å; N48-K50 WeakPolarHBondContact OD1-CB 3.44Å; N48-K50 PolarHBondContact OD1-N 3.37Å; N48-G51 PolarHBondContact O-N 2.79Å; N48-G51 PolarHBondContact OD1-N 3.41Å; N48-K52 PolarHBondContact N-O 3.42Å; N48-K52 WeakPolarHBondContact OD1-CB 3.07Å; N48-K52 PolarHBondContact OD1-N 3.2Å; N48-K52 PolarHBondContact OD1-O 2.89Å; N48-T54 HydrophobicContact CB-CG2 4.1Å
49E92.2Very high93.3Very high207 Ų20760.8 Ų60.897%0.96732%0.319SS*.THydrogen-bonded Turntrans-56.5-24.9179.2-62176.6177.400114G51E49-G51 VanDerWaalsContact C-N 3.32Å
50K90.5Very high93.3Very high191 Ų19166.2 Ų66.283%0.8334%0.342SS*.THydrogen-bonded Turntrans-89.44.5177.4-58.4-176.8-179.5-179.60113N48 K52N48-K50 PolarHBondContact O-N 3.32Å; N48-K50 WeakPolarHBondContact OD1-CA 3.33Å; N48-K50 WeakPolarHBondContact OD1-CB 3.44Å; N48-K50 PolarHBondContact OD1-N 3.37Å; K50-K52 PolarHBondContact O-N 3.06Å
51G88.3Confident93.5Very high29 Ų2964.9 Ų64.930%0.29933%0.327SS..SBendtrans70.813.7-174.100000114.5N48 E49N48-G51 PolarHBondContact O-N 2.79Å; N48-G51 PolarHBondContact OD1-N 3.41Å; E49-G51 VanDerWaalsContact C-N 3.32Å
52K91.3Very high93.4Very high95 Ų9567.2 Ų67.241%0.41335%0.35SS..  trans-85.4138.5177.1-172-177.3-179.6177.90109.8S22 L47 N48 K50 T54S22-K52 PolarHBondContact OG-NZ 3.42Å; L47-K52 WeakPolarHBondContact CA-O 3.4Å; N48-K52 PolarHBondContact N-O 3.42Å; N48-K52 WeakPolarHBondContact OD1-CB 3.07Å; N48-K52 PolarHBondContact OD1-N 3.2Å; N48-K52 PolarHBondContact OD1-O 2.89Å; K50-K52 PolarHBondContact O-N 3.06Å; K52-T54 PolarHBondContact O-N 2.87Å
53P94.3Very high92.9Very high20 Ų2073.1 Ų73.113%0.1338%0.376CS..EExtended strand (participates in β ladder)trans-66.5132.8175.228-34.5000111.3P33 H37 C45 K46 L47P33-P53 HydrophobicContact CB-CB 4.43Å; P33-P53 HydrophobicContact CB-CG 4.15Å; H37-P53 HydrophobicContact CB-CB 3.87Å; H37-P53 HydrophobicContact CB-CG 4.18Å; C45-P53 WeakPolarHBondContact SG-CB 3.22Å; K46-P53 CarbonylContact O-C 3.59Å; L47-P53 HydrophobicContact CD2-CB 4.44Å
54T95.3Very high92Very high40 Ų4072.8 Ų72.825%0.24539%0.389CS..EExtended strand (participates in β ladder)trans-135.4141.517654.30000110.5K46 N48 K52 H56K46-T54 PolarHBondContact N-O 3.16Å; K46-T54 PolarHBondContact O-N 3.41Å; K46-T54 PolarHBondContact O-OG1 3.12Å; N48-T54 HydrophobicContact CB-CG2 4.1Å; K52-T54 PolarHBondContact O-N 2.87Å; T54-H56 PolarHBondContact O-CD2 3.48Å; T54-H56 PolarHBondContact OG1-NE2 3.08Å
55C96Very high91.4Very high34 Ų3477.4 Ų77.423%0.2342%0.423CS..EExtended strand (participates in β ladder)trans-90.2122.6179.9-61.70000111.8H37 C39 K43 E44 R96H37-C55 PolarHBondContact NE2-SG 2.87Å; C39-C55 WeakPolarHBondContact CA-SG 3.09Å; C39-C55 HydrophobicContact CB-CB 3.79Å; C39-C55 WeakPolarHBondContact CB-SG 2.88Å; C39-C55 WeakPolarHBondContact SG-CA 3.2Å; C39-C55 WeakPolarHBondContact SG-CB 3.44Å; C39-C55 CovalentContact SG-SG 2.04Å; C39-C55 PolarHBondContact SG-SG 2.93Å; K43-C55 HydrophobicContact CB-CB 4.27Å; K43-C55 HydrophobicContact CD-CB 4.16Å; E44-C55 WeakPolarHBondContact O-CA 2.99Å; C55-R96 PolarHBondContact O-NH1 3.47Å
56H96.4Very high90.6Very high69 Ų6982.2 Ų82.232%0.31945%0.445SS..EExtended strand (participates in β ladder)trans-112.8158173.5-66.4-92.7000109.7K43 E44 K46 T54 A58K43-H56 CarbonylContact C-O 3.4Å; K43-H56 WeakPolarHBondContact CA-O 3.33Å; K43-H56 VanDerWaalsContact CB-O 3.24Å; K43-H56 WeakPolarHBondContact CB-O 3.34Å; E44-H56 PolarHBondContact N-O 3.35Å; E44-H56 PolarHBondContact O-N 3.43Å; K46-H56 HydrophobicContact CD-CB 4.36Å; T54-H56 PolarHBondContact O-CD2 3.48Å; T54-H56 PolarHBondContact OG1-NE2 3.08Å; H56-A58 PolarHBondContact O-N 3.36Å
57C97.4Very high89.9Confident11 Ų1183 Ų837%0.07446%0.458CS..EExtended strand (participates in β ladder)trans-62.6138.4174-49.10000109.2T59 C92 R93 M98C57-T59 PolarHBondContact O-N 2.86Å; C57-C92 WeakPolarHBondContact CA-SG 3.36Å; C57-C92 HydrophobicContact CB-CB 3.75Å; C57-C92 WeakPolarHBondContact CB-SG 3.25Å; C57-C92 WeakPolarHBondContact SG-CB 3.44Å; C57-C92 PolarHBondContact SG-O 2.83Å; C57-C92 VanDerWaalsContact SG-O 3.38Å; C57-C92 CovalentContact SG-SG 2.03Å; C57-C92 PolarHBondContact SG-SG 3.39Å; C57-R93 HydrophobicContact CB-CG 4.29Å; C57-M98 HydrophobicContact CB-CE 3.68Å; C57-M98 WeakPolarHBondContact SG-CE 3.17Å
58A96Very high89.6Confident6 Ų682.5 Ų82.55%0.0546%0.456CS..  trans-54.5132.9-177.100000110.4G42 E44 H56 R89G42-A58 WeakPolarHBondContact O-CB 3.48Å; G42-A58 PolarHBondContact O-N 3.28Å; E44-A58 WeakPolarHBondContact OE2-CA 3.46Å; H56-A58 PolarHBondContact O-N 3.36Å; A58-R89 HydrophobicContact CB-CG 4.42Å; A58-R89 WeakPolarHBondContact O-CD 3.04Å; A58-R89 WeakPolarHBondContact O-CG 3.36Å
59T94.3Very high89.4Confident82 Ų8283.7 Ų83.750%0.50347%0.467SS..SBendtrans-70.2-49.4174.745.60000109.3E44 C57 R89E44-T59 VanDerWaalsContact OE1-CG2 3.31Å; E44-T59 WeakPolarHBondContact OE1-CG2 3.29Å; E44-T59 PolarHBondContact OE1-N 3.04Å; E44-T59 PolarHBondContact OE1-OG1 2.76Å; E44-T59 PolarHBondContact OE2-N 3.11Å; E44-T59 VanDerWaalsContact OE2-N 3.07Å; E44-T59 PolarHBondContact OE2-OG1 3.26Å; C57-T59 PolarHBondContact O-N 2.86Å; T59-R89 PolarHBondContact O-NH1 3.45Å
60E92.8Very high89.2Confident147 Ų14780.6 Ų80.669%0.68746%0.456SS*.SBendtrans-123.3155.8177.562.3-170.3175.400111.1
61C92.7Very high89.2Confident5 Ų575.5 Ų75.53%0.03444%0.438CS..  trans-109.3138.3172.5-77.90000108.1Q63 C85 H86C61-Q63 WeakPolarHBondContact O-CG 3.5Å; C61-Q63 PolarHBondContact O-N 3.38Å; C61-Q63 PolarHBondContact O-NE2 3.31Å; C61-C85 WeakPolarHBondContact CA-SG 3.26Å; C61-C85 HydrophobicContact CB-CB 3.7Å; C61-C85 WeakPolarHBondContact CB-SG 3.48Å; C61-C85 WeakPolarHBondContact SG-CB 3.23Å; C61-C85 CovalentContact SG-SG 2.05Å; C61-C85 PolarHBondContact SG-SG 3.39Å; C61-H86 WeakPolarHBondContact CB-CE1 3.34Å; C61-H86 PolarHBondContact SG-N 3.11Å
62P87Confident89.5Confident112 Ų11278.1 Ų78.173%0.72744%0.439SS*.  trans-50.3125175.3-24.933.1000109.9
63Q81Confident89.7Confident130 Ų13073.7 Ų73.761%0.60742%0.42SS*.  trans-136.8129.4179.7-79.1160.980.100107.5C61C61-Q63 WeakPolarHBondContact O-CG 3.5Å; C61-Q63 PolarHBondContact O-N 3.38Å; C61-Q63 PolarHBondContact O-NE2 3.31Å
64G79.6Confident89.6Confident50 Ų5072.9 Ų72.952%0.51541%0.414SS..  trans-69.8176.1167.700000111.9I66G64-I66 PolarHBondContact O-N 3Å
65P80.5Confident89.5Confident142 Ų14271 Ų7192%0.92240%0.403SS*.SBendtrans-62-23.2177.825-33.5000113.4
66I78.6Confident89.1Confident134 Ų13470.5 Ų70.569%0.68740%0.398SS*.SBendtrans-128.3134.3175.7-57172.4000107G64 D68G64-I66 PolarHBondContact O-N 3Å; I66-D68 PolarHBondContact O-N 2.84Å
67P80.3Confident88.8Confident100 Ų10070.9 Ų70.965%0.64940%0.402SS*.  trans-59.3118.2171.3-21.632.6000110.4P69P67-P69 WeakPolarHBondContact O-CD 3.38Å
68D86.1Confident88.4Confident72 Ų7273.9 Ų73.939%0.38542%0.417SS..  trans-76.4122.2175.5-168.7-18.2000109.5I66 L70 D71I66-D68 PolarHBondContact O-N 2.84Å; D68-L70 PolarHBondContact O-N 2.81Å; D68-L70 VanDerWaalsContact OD1-CB 3.32Å; D68-L70 WeakPolarHBondContact OD1-CB 3.46Å; D68-L70 WeakPolarHBondContact OD1-CG 3.22Å; D68-L70 PolarHBondContact OD1-N 3.43Å; D68-D71 HydrophobicContact CB-CB 4.28Å; D68-D71 WeakPolarHBondContact O-CB 3.41Å; D68-D71 PolarHBondContact O-N 3.44Å; D68-D71 VanDerWaalsContact O-N 3.09Å
69P86.5Confident88.2Confident81 Ų8176.2 Ų76.253%0.52643%0.431SS..G310 helixtrans-55.9-26.8171.3-24.935.6000114P67 D71 R72P67-P69 WeakPolarHBondContact O-CD 3.38Å; P69-D71 VanDerWaalsContact C-N 3.33Å; P69-R72 WeakPolarHBondContact O-CB 3.49Å; P69-R72 WeakPolarHBondContact O-CG 3.36Å; P69-R72 PolarHBondContact O-N 3.26Å
70L87.5Confident88.3Confident143 Ų14375.1 Ų75.175%0.74942%0.424SS*.G310 helixtrans-73.6-22.8177.5-61.3177.4000113.2D68 R72D68-L70 PolarHBondContact O-N 2.81Å; D68-L70 VanDerWaalsContact OD1-CB 3.32Å; D68-L70 WeakPolarHBondContact OD1-CB 3.46Å; D68-L70 WeakPolarHBondContact OD1-CG 3.22Å; D68-L70 PolarHBondContact OD1-N 3.43Å; L70-R72 VanDerWaalsContact C-N 3.25Å; L70-R72 PolarHBondContact O-N 3.05Å
71D91.6Very high88.4Confident83 Ų8369.3 Ų69.344%0.44440%0.396SS..G310 helixtrans-73.6-21.2175-76.9-25.7000111.8D68 P69 N82 S83D68-D71 HydrophobicContact CB-CB 4.28Å; D68-D71 WeakPolarHBondContact O-CB 3.41Å; D68-D71 PolarHBondContact O-N 3.44Å; D68-D71 VanDerWaalsContact O-N 3.09Å; P69-D71 VanDerWaalsContact C-N 3.33Å; D71-N82 CarbonylContact C-O 3.51Å; D71-S83 VanDerWaalsContact O-CA 3.26Å; D71-S83 WeakPolarHBondContact O-CA 3.36Å
72R94.7Very high88.5Confident85 Ų8573.6 Ų73.632%0.32142%0.418SS..  trans-58.8148.8-177.1-65-179.7-176.7-177.11.2111.1P69 L70 T80 Y81 G115 E116P69-R72 WeakPolarHBondContact O-CB 3.49Å; P69-R72 WeakPolarHBondContact O-CG 3.36Å; P69-R72 PolarHBondContact O-N 3.26Å; L70-R72 VanDerWaalsContact C-N 3.25Å; L70-R72 PolarHBondContact O-N 3.05Å; R72-T80 HydrophobicContact CB-CG2 4.29Å; R72-Y81 VanDerWaalsContact CA-O 3.3Å; R72-Y81 WeakPolarHBondContact CA-O 3.48Å; R72-G115 CarbonylContact O-C 3.48Å; R72-G115 VanDerWaalsContact O-CA 3.23Å; R72-G115 WeakPolarHBondContact O-CA 3.42Å; R72-G115 PolarHBondContact O-N 3.35Å; R72-E116 IonicContact NH1-OE2 2.67Å; R72-E116 PolarHBondContact NH1-OE2 3.4Å
73V94.4Very high88.8Confident2 Ų268.9 Ų68.91%0.01239%0.388CS..EExtended strand (participates in β ladder)trans-137.7146.2178.3-65.10000111.5T80 Y81 I84 L87 L111 L114 G115V73-T80 CarbonylContact O-C 3.43Å; V73-T80 WeakPolarHBondContact O-CA 3.3Å; V73-Y81 PolarHBondContact N-O 2.83Å; V73-Y81 PolarHBondContact O-N 3.08Å; V73-I84 HydrophobicContact CG1-CB 4.42Å; V73-L87 HydrophobicContact CG2-CB 4.04Å; V73-L87 HydrophobicContact CG2-CD1 3.88Å; V73-L111 HydrophobicContact CB-CD1 3.47Å; V73-L111 VanDerWaalsContact CB-CD1 3.47Å; V73-L111 HydrophobicContact CG1-CD1 3.72Å; V73-L111 HydrophobicContact CG2-CD1 4.24Å; V73-L114 HydrophobicContact CG1-CD2 4Å; V73-G115 CarbonylContact C-O 3.37Å; V73-G115 WeakPolarHBondContact CA-O 3.32Å
74C93.3Very high89.5Confident2 Ų265.1 Ų65.11%0.01437%0.372CS..EExtended strand (participates in β ladder)trans-98.7130.3172.6-173.40000109.7Q112 Y113 G115 C117C74-Q112 WeakPolarHBondContact O-CB 3.22Å; C74-Q112 PolarHBondContact O-N 2.01Å; C74-Y113 HydrophobicContact CB-CD1 4.2Å; C74-Y113 HydrophobicContact CB-CD2 3.92Å; C74-Y113 HydrophobicContact CB-CE1 3.8Å; C74-Y113 HydrophobicContact CB-CE2 3.54Å; C74-Y113 HydrophobicContact CB-CG 4.24Å; C74-Y113 VanDerWaalsContact CB-CZ 3.49Å; C74-Y113 PolarHBondContact N-O 3.15Å; C74-Y113 PolarHBondContact O-N 3.32Å; C74-G115 PolarHBondContact N-O 3.34Å; C74-C117 WeakPolarHBondContact CA-SG 3.09Å; C74-C117 HydrophobicContact CB-CB 3.99Å; C74-C117 WeakPolarHBondContact CB-SG 3.25Å; C74-C117 WeakPolarHBondContact SG-CA 3.49Å; C74-C117 WeakPolarHBondContact SG-CB 3.3Å; C74-C117 CovalentContact SG-SG 2.04Å; C74-C117 PolarHBondContact SG-SG 3.09Å
75S92.9Very high90.2Very high1 Ų163.8 Ų63.81%0.00735%0.354CS..EExtended strand (participates in β ladder)trans-85.9164.6173.758.40000112.6I77 N78 V79 H110S75-I77 PolarHBondContact O-N 3.07Å; S75-I77 VanDerWaalsContact O-N 3.08Å; S75-N78 PolarHBondContact O-N 3.13Å; S75-V79 WeakPolarHBondContact CB-O 3.49Å; S75-V79 PolarHBondContact N-O 3.48Å; S75-V79 WeakPolarHBondContact OG-CB 3.39Å; S75-V79 PolarHBondContact OG-N 3Å; S75-V79 VanDerWaalsContact OG-N 3.13Å; S75-V79 PolarHBondContact OG-O 2.81Å; S75-H110 WeakPolarHBondContact CA-O 3.45Å
76N87.3Confident90.9Very high24 Ų2458 Ų5813%0.12831%0.314CS..THydrogen-bonded Turntrans-60.8-12.7174.967.8-56000115.8L109 H110 R211N76-L109 WeakPolarHBondContact OD1-CA 3.34Å; N76-H110 WeakPolarHBondContact CB-CE1 3.46Å; N76-H110 WeakPolarHBondContact CB-NE2 3.45Å; N76-H110 PolarHBondContact N-O 3.19Å; N76-H110 VanDerWaalsContact N-O 3.12Å; N76-H110 PolarHBondContact ND2-CE1 3.01Å; N76-H110 PolarHBondContact ND2-ND1 2.75Å; N76-H110 PolarHBondContact OD1-N 2.98Å; N76-H110 PolarHBondContact OD1-O 3.39Å; N76-R211 PolarHBondContact O-NH2 3.16Å
77I89.4Confident91.8Very high76 Ų7651.6 Ų51.639%0.3928%0.282SS..THydrogen-bonded Turntrans-104.818.2174.763.2166.6000112.5S75 V79 H106 L109S75-I77 PolarHBondContact O-N 3.07Å; S75-I77 VanDerWaalsContact O-N 3.08Å; I77-V79 VanDerWaalsContact C-N 3.28Å; I77-V79 HydrophobicContact CD1-CB 4.49Å; I77-V79 HydrophobicContact CD1-CG2 3.9Å; I77-V79 HydrophobicContact CG1-CB 4.23Å; I77-V79 HydrophobicContact CG1-CG2 3.89Å; I77-V79 PolarHBondContact O-N 2.94Å; I77-H106 WeakPolarHBondContact CD1-CD2 3.45Å; I77-H106 WeakPolarHBondContact CD1-NE2 3.36Å; I77-L109 HydrophobicContact CD1-CD2 3.58Å; I77-L109 HydrophobicContact CG1-CD2 3.64Å
78N89Confident92.7Very high74 Ų7446.9 Ų46.940%0.39625%0.251SS..SBendtrans59.436.8178.7-164.164.8000113.5S75 C117S75-N78 PolarHBondContact O-N 3.13Å; N78-C117 WeakPolarHBondContact OD1-CB 3.26Å
79V93.3Very high93.2Very high56 Ų5645.5 Ų45.534%0.33924%0.24SC..  trans-109.7128.2171.3176.70000109.4S75 I77 Y81 C117S75-V79 WeakPolarHBondContact CB-O 3.49Å; S75-V79 PolarHBondContact N-O 3.48Å; S75-V79 WeakPolarHBondContact OG-CB 3.39Å; S75-V79 PolarHBondContact OG-N 3Å; S75-V79 VanDerWaalsContact OG-N 3.13Å; S75-V79 PolarHBondContact OG-O 2.81Å; I77-V79 VanDerWaalsContact C-N 3.28Å; I77-V79 HydrophobicContact CD1-CB 4.49Å; I77-V79 HydrophobicContact CD1-CG2 3.9Å; I77-V79 HydrophobicContact CG1-CB 4.23Å; I77-V79 HydrophobicContact CG1-CG2 3.89Å; I77-V79 PolarHBondContact O-N 2.94Å; V79-Y81 HydrophobicContact CB-CE2 4.02Å; V79-Y81 HydrophobicContact CG1-CD2 4.33Å; V79-Y81 HydrophobicContact CG1-CE2 3.74Å; V79-Y81 WeakPolarHBondContact O-CD2 3.38Å; V79-C117 PolarHBondContact N-SG 3.07Å; V79-C117 PolarHBondContact O-SG 3.17Å
80T94.8Very high93.7Very high58 Ų5842.2 Ų42.236%0.35622%0.218SC..EExtended strand (participates in β ladder)trans-81.7130.1175.3-57.30000110.4R72 V73 E116 C117R72-T80 HydrophobicContact CB-CG2 4.29Å; V73-T80 CarbonylContact O-C 3.43Å; V73-T80 WeakPolarHBondContact O-CA 3.3Å; T80-E116 HydrophobicContact CG2-CB 3.76Å; T80-C117 WeakPolarHBondContact OG1-CB 3.4Å; T80-C117 PolarHBondContact OG1-N 3.4Å
81Y95.8Very high94.2Very high26 Ų2636.4 Ų36.410%0.10219%0.186CC..EExtended strand (participates in β ladder)trans-112.3152171.6-68.5-93.1000110.7R72 V73 V79 S83 H86 L87 E90 L109R72-Y81 VanDerWaalsContact CA-O 3.3Å; R72-Y81 WeakPolarHBondContact CA-O 3.48Å; V73-Y81 PolarHBondContact N-O 2.83Å; V73-Y81 PolarHBondContact O-N 3.08Å; V79-Y81 HydrophobicContact CB-CE2 4.02Å; V79-Y81 HydrophobicContact CG1-CD2 4.33Å; V79-Y81 HydrophobicContact CG1-CE2 3.74Å; V79-Y81 WeakPolarHBondContact O-CD2 3.38Å; Y81-S83 VanDerWaalsContact C-N 3.28Å; Y81-S83 PolarHBondContact O-N 3.08Å; Y81-H86 HydrophobicContact CD1-CB 4.29Å; Y81-L87 HydrophobicContact CD1-CB 4.38Å; Y81-L87 HydrophobicContact CD2-CB 3.93Å; Y81-L87 HydrophobicContact CD2-CD1 4.07Å; Y81-L87 HydrophobicContact CD2-CG 4.01Å; Y81-L87 HydrophobicContact CE2-CG 4.3Å; Y81-L87 HydrophobicContact CG-CB 3.85Å; Y81-L87 HydrophobicContact CG-CG 4.44Å; Y81-E90 HydrophobicContact CE1-CB 3.94Å; Y81-E90 HydrophobicContact CE1-CG 4.09Å; Y81-L109 HydrophobicContact CE2-CD1 4.28Å; Y81-L109 HydrophobicContact CE2-CD2 4.25Å; Y81-L109 WeakPolarHBondContact OH-CD1 3.44Å
82N94.7Very high94.5Very high94 Ų9432.7 Ų32.750%0.50317%0.166SC..SBendtrans-66.4-28.8-178.4-69.1-17.2000113.6D71D71-N82 CarbonylContact C-O 3.51Å
83S94.2Very high94.7Very high13 Ų1331 Ų319%0.09116%0.16CC..SBendtrans-156.916817273.20000112.3D71 Y81 C85 H86 L87D71-S83 VanDerWaalsContact O-CA 3.26Å; D71-S83 WeakPolarHBondContact O-CA 3.36Å; Y81-S83 VanDerWaalsContact C-N 3.28Å; Y81-S83 PolarHBondContact O-N 3.08Å; S83-C85 PolarHBondContact O-N 2.86Å; S83-C85 PolarHBondContact OG-N 3.21Å; S83-H86 WeakPolarHBondContact O-CB 3.47Å; S83-H86 PolarHBondContact O-N 3.44Å; S83-H86 PolarHBondContact OG-ND1 3.11Å; S83-L87 PolarHBondContact O-N 3Å; S83-L87 VanDerWaalsContact O-N 3.14Å
84I94Very high94.8Very high52 Ų5231 Ų3127%0.26716%0.16SC..Hα-helixtrans-53.8-38.4172.2-166.1165.9000111.9I8 W41 V73 H86 L87 Y88I8-I84 HydrophobicContact CD1-CD1 3.88Å; I8-I84 HydrophobicContact CG1-CD1 4.36Å; W41-I84 HydrophobicContact CD2-CD1 4.5Å; V73-I84 HydrophobicContact CG1-CB 4.42Å; I84-H86 PolarHBondContact O-N 2.93Å; I84-L87 PolarHBondContact O-N 3.46Å; I84-Y88 HydrophobicContact CD1-CD2 4.47Å; I84-Y88 HydrophobicContact CD1-CE2 3.94Å; I84-Y88 HydrophobicContact CG1-CD2 3.61Å; I84-Y88 HydrophobicContact CG1-CE2 3.46Å; I84-Y88 VanDerWaalsContact CG1-CE2 3.46Å; I84-Y88 VanDerWaalsContact O-CD2 3.25Å; I84-Y88 WeakPolarHBondContact O-CD2 3.4Å; I84-Y88 PolarHBondContact O-N 3.34Å; I84-Y88 VanDerWaalsContact O-N 3.12Å
85C95Very high95Very high21 Ų2135.9 Ų35.914%0.14218%0.178CC..Hα-helixtrans-61.2-43.6174174.90000111.6C61 S83 L87 Y88 R89C61-C85 WeakPolarHBondContact CA-SG 3.26Å; C61-C85 HydrophobicContact CB-CB 3.7Å; C61-C85 WeakPolarHBondContact CB-SG 3.48Å; C61-C85 WeakPolarHBondContact SG-CB 3.23Å; C61-C85 CovalentContact SG-SG 2.05Å; C61-C85 PolarHBondContact SG-SG 3.39Å; S83-C85 PolarHBondContact O-N 2.86Å; S83-C85 PolarHBondContact OG-N 3.21Å; C85-L87 PolarHBondContact O-N 3.1Å; C85-Y88 PolarHBondContact O-N 3.34Å; C85-R89 WeakPolarHBondContact O-CB 3.45Å; C85-R89 PolarHBondContact O-N 3.23Å
86H96.3Very high95.1Very high21 Ų2141 Ų4110%0.09720%0.197CC..Hα-helixtrans-63-42.2-179.4-72.285.7000112C61 Y81 S83 I84 R89 E90C61-H86 WeakPolarHBondContact CB-CE1 3.34Å; C61-H86 PolarHBondContact SG-N 3.11Å; Y81-H86 HydrophobicContact CD1-CB 4.29Å; S83-H86 WeakPolarHBondContact O-CB 3.47Å; S83-H86 PolarHBondContact O-N 3.44Å; S83-H86 PolarHBondContact OG-ND1 3.11Å; I84-H86 PolarHBondContact O-N 2.93Å; H86-R89 PolarHBondContact CD2-NH2 3.17Å; H86-E90 PolarHBondContact O-N 2.97Å; H86-E90 VanDerWaalsContact O-N 3.09Å
87L97.2Very high95.5Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-59.6-53.7176.1-177.5157.1000111.1V73 Y81 S83 I84 C85 R89 E90 R91 L109 L111V73-L87 HydrophobicContact CG2-CB 4.04Å; V73-L87 HydrophobicContact CG2-CD1 3.88Å; Y81-L87 HydrophobicContact CD1-CB 4.38Å; Y81-L87 HydrophobicContact CD2-CB 3.93Å; Y81-L87 HydrophobicContact CD2-CD1 4.07Å; Y81-L87 HydrophobicContact CD2-CG 4.01Å; Y81-L87 HydrophobicContact CE2-CG 4.3Å; Y81-L87 HydrophobicContact CG-CB 3.85Å; Y81-L87 HydrophobicContact CG-CG 4.44Å; S83-L87 PolarHBondContact O-N 3Å; S83-L87 VanDerWaalsContact O-N 3.14Å; I84-L87 PolarHBondContact O-N 3.46Å; C85-L87 PolarHBondContact O-N 3.1Å; L87-R89 PolarHBondContact O-N 3.48Å; L87-E90 PolarHBondContact O-N 3.12Å; L87-R91 PolarHBondContact O-N 3.26Å; L87-R91 VanDerWaalsContact O-N 3.1Å; L87-L109 HydrophobicContact CD2-CB 4.36Å; L87-L111 HydrophobicContact CD1-CD1 4.4Å
88Y97.8Very high95.9Very high1 Ų144.4 Ų44.40%0.00422%0.215CC..Hα-helixtrans-76-24.5-175.7-70.2-63000113.5I8 D12 W41 I84 C85 R91 C92I8-Y88 WeakPolarHBondContact CG2-OH 3.4Å; D12-Y88 PolarHBondContact OD2-OH 2.98Å; W41-Y88 HydrophobicContact CB-CD2 3.49Å; W41-Y88 VanDerWaalsContact CB-CD2 3.49Å; W41-Y88 HydrophobicContact CB-CE2 4.23Å; W41-Y88 HydrophobicContact CB-CG 3.78Å; W41-Y88 HydrophobicContact CD2-CD2 4.02Å; W41-Y88 AromaticContact CD2-CE2 3.85Å; W41-Y88 HydrophobicContact CD2-CE2 3.85Å; W41-Y88 HydrophobicContact CE3-CD1 4.47Å; W41-Y88 AromaticContact CE3-CD2 3.62Å; W41-Y88 HydrophobicContact CE3-CD2 3.62Å; W41-Y88 HydrophobicContact CE3-CE1 4.06Å; W41-Y88 AromaticContact CE3-CE2 3.13Å; W41-Y88 HydrophobicContact CE3-CE2 3.13Å; W41-Y88 HydrophobicContact CE3-CG 4.26Å; W41-Y88 AromaticContact CE3-CZ 3.37Å; W41-Y88 HydrophobicContact CG-CD2 4.06Å; W41-Y88 HydrophobicContact CG-CE2 4.36Å; W41-Y88 HydrophobicContact CZ3-CE1 4.48Å; W41-Y88 AromaticContact CZ3-CE2 3.73Å; W41-Y88 HydrophobicContact CZ3-CE2 3.73Å; W41-Y88 AromaticContact CZ3-CZ 3.64Å; W41-Y88 WeakPolarHBondContact CZ3-OH 3.41Å; W41-Y88 WeakPolarHBondContact O-CB 3.49Å; I84-Y88 HydrophobicContact CD1-CD2 4.47Å; I84-Y88 HydrophobicContact CD1-CE2 3.94Å; I84-Y88 HydrophobicContact CG1-CD2 3.61Å; I84-Y88 HydrophobicContact CG1-CE2 3.46Å; I84-Y88 VanDerWaalsContact CG1-CE2 3.46Å; I84-Y88 VanDerWaalsContact O-CD2 3.25Å; I84-Y88 WeakPolarHBondContact O-CD2 3.4Å; I84-Y88 PolarHBondContact O-N 3.34Å; I84-Y88 VanDerWaalsContact O-N 3.12Å; C85-Y88 PolarHBondContact O-N 3.34Å; Y88-R91 VanDerWaalsContact CD1-NH2 3.33Å; Y88-R91 VanDerWaalsContact CE1-NH2 3.32Å; Y88-R91 WeakPolarHBondContact O-CB 2.88Å; Y88-R91 PolarHBondContact O-N 3.45Å; Y88-C92 VanDerWaalsContact O-CB 3.32Å; Y88-C92 WeakPolarHBondContact O-CB 3.36Å; Y88-C92 PolarHBondContact O-N 2.97Å
89R97.3Very high96.2Very high42 Ų4247.4 Ų47.416%0.15824%0.239CC..Hα-helixtrans-65.6-45.5170.4-178.6-179.769.4171.4-2.4110.8A58 T59 C85 H86 L87 C92 R93A58-R89 HydrophobicContact CB-CG 4.42Å; A58-R89 WeakPolarHBondContact O-CD 3.04Å; A58-R89 WeakPolarHBondContact O-CG 3.36Å; T59-R89 PolarHBondContact O-NH1 3.45Å; C85-R89 WeakPolarHBondContact O-CB 3.45Å; C85-R89 PolarHBondContact O-N 3.23Å; H86-R89 PolarHBondContact CD2-NH2 3.17Å; L87-R89 PolarHBondContact O-N 3.48Å; R89-C92 PolarHBondContact O-N 3.16Å; R89-R93 VanDerWaalsContact O-CG 3.26Å; R89-R93 WeakPolarHBondContact O-CG 3.3Å; R89-R93 PolarHBondContact O-N 2.86Å
90E97.8Very high96.3Very high13 Ų1347.3 Ų47.36%0.06124%0.24CC..Hα-helixtrans-59.1-48.2174.3177.366-174.800110.7Y81 H86 L87 C92 R93 C94 T102 N103 H106 L109Y81-E90 HydrophobicContact CE1-CB 3.94Å; Y81-E90 HydrophobicContact CE1-CG 4.09Å; H86-E90 PolarHBondContact O-N 2.97Å; H86-E90 VanDerWaalsContact O-N 3.09Å; L87-E90 PolarHBondContact O-N 3.12Å; E90-C92 VanDerWaalsContact C-N 3.31Å; E90-C92 PolarHBondContact O-N 2.92Å; E90-R93 PolarHBondContact O-N 2.83Å; E90-R93 VanDerWaalsContact O-N 3.17Å; E90-C94 PolarHBondContact O-N 3.47Å; E90-C94 PolarHBondContact O-SG 3.01Å; E90-C94 VanDerWaalsContact O-SG 3.33Å; E90-C94 PolarHBondContact OE1-SG 2.75Å; E90-C94 VanDerWaalsContact OE1-SG 3.41Å; E90-T102 WeakPolarHBondContact OE1-CA 3.39Å; E90-T102 WeakPolarHBondContact OE1-CB 3.39Å; E90-T102 PolarHBondContact OE1-N 3.3Å; E90-T102 PolarHBondContact OE1-OG1 3.44Å; E90-T102 PolarHBondContact OE2-OG1 2.94Å; E90-N103 PolarHBondContact OE1-N 3.12Å; E90-H106 HydrophobicContact CG-CB 4.06Å; E90-H106 IonicContact OE1-CE1 2.91Å; E90-H106 IonicContact OE1-CG 2.75Å; E90-H106 IonicContact OE1-ND1 3.59Å; E90-H106 PolarHBondContact OE1-ND1 2.9Å; E90-L109 HydrophobicContact CB-CD1 4.05Å; E90-L109 HydrophobicContact CG-CD1 3.65Å
91R98Very high96.4Very high20 Ų2045.8 Ų45.88%0.07523%0.232CC..Hα-helixtrans-51.9-49.8173.1-174.9171.386.7173.4-6.3112.1D12 L87 Y88 R93 C94 R95 L109D12-R91 IonicContact OD1-CZ 3.79Å; D12-R91 IonicContact OD1-NH1 2.65Å; D12-R91 PolarHBondContact OD1-NH1 3.31Å; D12-R91 IonicContact OD1-NH2 3.24Å; D12-R91 PolarHBondContact OD1-NH2 3.22Å; D12-R91 IonicContact OD2-NH1 3.82Å; L87-R91 PolarHBondContact O-N 3.26Å; L87-R91 VanDerWaalsContact O-N 3.1Å; Y88-R91 VanDerWaalsContact CD1-NH2 3.33Å; Y88-R91 VanDerWaalsContact CE1-NH2 3.32Å; Y88-R91 WeakPolarHBondContact O-CB 2.88Å; Y88-R91 PolarHBondContact O-N 3.45Å; R91-R93 PolarHBondContact O-N 3.31Å; R91-C94 PolarHBondContact O-N 3.08Å; R91-R95 HydrophobicContact CG-CG 4.45Å; R91-R95 WeakPolarHBondContact O-CB 3.45Å; R91-R95 WeakPolarHBondContact O-CG 2.76Å; R91-R95 PolarHBondContact O-N 2.99Å; R91-L109 HydrophobicContact CB-CB 4.09Å; R91-L109 WeakPolarHBondContact CD-O 3.37Å; R91-L109 HydrophobicContact CG-CB 4.4Å; R91-L109 PolarHBondContact NH1-O 2.86Å
92C98Very high96.4Very high5 Ų550 Ų503%0.03426%0.261CS..Hα-helixtrans-61.5-44.3-179.6-176.50000111.7K43 C57 Y88 R89 E90 C94 R95 R96K43-C92 HydrophobicContact CG-CB 4.42Å; C57-C92 WeakPolarHBondContact CA-SG 3.36Å; C57-C92 HydrophobicContact CB-CB 3.75Å; C57-C92 WeakPolarHBondContact CB-SG 3.25Å; C57-C92 WeakPolarHBondContact SG-CB 3.44Å; C57-C92 PolarHBondContact SG-O 2.83Å; C57-C92 VanDerWaalsContact SG-O 3.38Å; C57-C92 CovalentContact SG-SG 2.03Å; C57-C92 PolarHBondContact SG-SG 3.39Å; Y88-C92 VanDerWaalsContact O-CB 3.32Å; Y88-C92 WeakPolarHBondContact O-CB 3.36Å; Y88-C92 PolarHBondContact O-N 2.97Å; R89-C92 PolarHBondContact O-N 3.16Å; E90-C92 VanDerWaalsContact C-N 3.31Å; E90-C92 PolarHBondContact O-N 2.92Å; C92-C94 PolarHBondContact O-N 3.45Å; C92-R95 PolarHBondContact O-N 3.32Å; C92-R96 WeakPolarHBondContact O-CG 3.24Å; C92-R96 PolarHBondContact O-N 2.03Å; C92-R96 VanDerWaalsContact O-N 3.12Å
93R97.7Very high96.5Very high51 Ų5148.4 Ų48.419%0.19225%0.252CS..Hα-helixtrans-61.1-45.6178.7-69.5169.7173.5-164.3-0.5111.9C57 R89 E90 R91 R96 D97 M98 S100 C101C57-R93 HydrophobicContact CB-CG 4.29Å; R89-R93 VanDerWaalsContact O-CG 3.26Å; R89-R93 WeakPolarHBondContact O-CG 3.3Å; R89-R93 PolarHBondContact O-N 2.86Å; E90-R93 PolarHBondContact O-N 2.83Å; E90-R93 VanDerWaalsContact O-N 3.17Å; R91-R93 PolarHBondContact O-N 3.31Å; R93-R96 PolarHBondContact O-N 3.15Å; R93-D97 PolarHBondContact O-N 2.93Å; R93-M98 VanDerWaalsContact CA-CE 3.48Å; R93-M98 HydrophobicContact CB-CB 4.49Å; R93-M98 HydrophobicContact CB-CE 3.88Å; R93-M98 HydrophobicContact CG-CE 3.5Å; R93-M98 PolarHBondContact O-N 3.17Å; R93-S100 WeakPolarHBondContact CD-OG 3.48Å; R93-C101 HydrophobicContact CB-CB 4.34Å
94C97.5Very high96.5Very high1 Ų152 Ų521%0.00728%0.275CS..Hα-helixtrans-71.6-38179.8-61.50000112.9E90 R91 C92 R96 D97 C101 N103 H106 K107E90-C94 PolarHBondContact O-N 3.47Å; E90-C94 PolarHBondContact O-SG 3.01Å; E90-C94 VanDerWaalsContact O-SG 3.33Å; E90-C94 PolarHBondContact OE1-SG 2.75Å; E90-C94 VanDerWaalsContact OE1-SG 3.41Å; R91-C94 PolarHBondContact O-N 3.08Å; C92-C94 PolarHBondContact O-N 3.45Å; C94-R96 VanDerWaalsContact C-N 3.28Å; C94-R96 PolarHBondContact O-N 3.34Å; C94-D97 PolarHBondContact O-N 3.01Å; C94-D97 VanDerWaalsContact O-N 3.15Å; C94-C101 WeakPolarHBondContact CA-SG 3.45Å; C94-C101 HydrophobicContact CB-CB 3.96Å; C94-C101 WeakPolarHBondContact CB-SG 3.32Å; C94-C101 WeakPolarHBondContact SG-CB 3.08Å; C94-C101 CovalentContact SG-SG 2.03Å; C94-C101 PolarHBondContact SG-SG 2.84Å; C94-N103 PolarHBondContact SG-O 3.11Å; C94-H106 HydrophobicContact CB-CB 4.22Å; C94-K107 HydrophobicContact CB-CG 4.09Å; C94-K107 WeakPolarHBondContact O-CE 3.04Å; C94-K107 WeakPolarHBondContact O-CG 3.22Å
95R96.4Very high96.4Very high105 Ų10557.9 Ų57.940%0.39630%0.299SS..Hα-helixtrans-62.3-34.7174.6-79-172.6177.4-167.1-1.2113.1R91 C92 D97 K107R91-R95 HydrophobicContact CG-CG 4.45Å; R91-R95 WeakPolarHBondContact O-CB 3.45Å; R91-R95 WeakPolarHBondContact O-CG 2.76Å; R91-R95 PolarHBondContact O-N 2.99Å; C92-R95 PolarHBondContact O-N 3.32Å; R95-D97 VanDerWaalsContact C-N 3.28Å; R95-K107 HydrophobicContact CG-CB 4.17Å; R95-K107 HydrophobicContact CG-CG 4.42Å; R95-K107 WeakPolarHBondContact CG-O 3.43Å; R95-K107 PolarHBondContact NE-O 3.14Å
96R95.5Very high96.4Very high108 Ų10857.7 Ų57.741%0.40830%0.296SS..THydrogen-bonded Turntrans-90.712.3177.8-59.8-177.785.2150.55.2113.1C55 C92 R93 C94 M98C55-R96 PolarHBondContact O-NH1 3.47Å; C92-R96 WeakPolarHBondContact O-CG 3.24Å; C92-R96 PolarHBondContact O-N 2.03Å; C92-R96 VanDerWaalsContact O-N 3.12Å; R93-R96 PolarHBondContact O-N 3.15Å; C94-R96 VanDerWaalsContact C-N 3.28Å; C94-R96 PolarHBondContact O-N 3.34Å; R96-M98 HydrophobicContact CB-CG 4.08Å; R96-M98 PolarHBondContact O-N 3.5Å
97D96Very high96.4Very high111 Ų11159.5 Ų59.559%0.59430%0.303SS*.THydrogen-bonded Turntrans47.738-179.4-65.8-61.5000113.2R93 C94 R95 K107R93-D97 PolarHBondContact O-N 2.93Å; C94-D97 PolarHBondContact O-N 3.01Å; C94-D97 VanDerWaalsContact O-N 3.15Å; R95-D97 VanDerWaalsContact C-N 3.28Å; D97-K107 VanDerWaalsContact OD1-CE 3.26Å; D97-K107 WeakPolarHBondContact OD1-CE 3.34Å; D97-K107 IonicContact OD1-NZ 3.27Å; D97-K107 PolarHBondContact OD1-NZ 3.17Å; D97-K107 IonicContact OD2-NZ 3.75Å; D97-K107 PolarHBondContact OD2-NZ 3.22Å
98M96.9Very high96.1Very high60 Ų6066 Ų6630%0.29633%0.334SS..  trans-76.7146.5-179.5-71-162.8-68.500111.2C57 R93 R96 S100 C101C57-M98 HydrophobicContact CB-CE 3.68Å; C57-M98 WeakPolarHBondContact SG-CE 3.17Å; R93-M98 VanDerWaalsContact CA-CE 3.48Å; R93-M98 HydrophobicContact CB-CB 4.49Å; R93-M98 HydrophobicContact CB-CE 3.88Å; R93-M98 HydrophobicContact CG-CE 3.5Å; R93-M98 PolarHBondContact O-N 3.17Å; R96-M98 HydrophobicContact CB-CG 4.08Å; R96-M98 PolarHBondContact O-N 3.5Å; M98-S100 PolarHBondContact O-N 3.17Å; M98-C101 WeakPolarHBondContact O-CB 3.23Å; M98-C101 PolarHBondContact O-N 2.94Å
99P96.3Very high95.9Very high138 Ų13866.1 Ų66.190%0.89633%0.334SS*.THydrogen-bonded Turntrans-58.8-21.3177.9-24.933.6000114.6C101P99-C101 VanDerWaalsContact C-N 3.28Å
100S95.5Very high95.6Very high53 Ų5365.4 Ų65.437%0.37133%0.333SS..THydrogen-bonded Turntrans-83.61.7177.758.60000114.2R93 M98R93-S100 WeakPolarHBondContact CD-OG 3.48Å; M98-S100 PolarHBondContact O-N 3.17Å
101C96.9Very high95.3Very high26 Ų2664.8 Ų64.818%0.17633%0.33CS..  trans-68.2129.7168.1170.30000109.8R93 C94 M98 P99 N103R93-C101 HydrophobicContact CB-CB 4.34Å; C94-C101 WeakPolarHBondContact CA-SG 3.45Å; C94-C101 HydrophobicContact CB-CB 3.96Å; C94-C101 WeakPolarHBondContact CB-SG 3.32Å; C94-C101 WeakPolarHBondContact SG-CB 3.08Å; C94-C101 CovalentContact SG-SG 2.03Å; C94-C101 PolarHBondContact SG-SG 2.84Å; M98-C101 WeakPolarHBondContact O-CB 3.23Å; M98-C101 PolarHBondContact O-N 2.94Å; P99-C101 VanDerWaalsContact C-N 3.28Å; C101-N103 PolarHBondContact SG-O 2.78Å
102T95.9Very high94.9Very high116 Ų11664.1 Ų64.171%0.71233%0.328SS*.SBendtrans-79.5-35-178.6-45.50000111.4E90E90-T102 WeakPolarHBondContact OE1-CA 3.39Å; E90-T102 WeakPolarHBondContact OE1-CB 3.39Å; E90-T102 PolarHBondContact OE1-N 3.3Å; E90-T102 PolarHBondContact OE1-OG1 3.44Å; E90-T102 PolarHBondContact OE2-OG1 2.94Å
103N95.5Very high94.5Very high59 Ų5964.3 Ų64.332%0.31633%0.328SS..  trans-149.5122.6179.1-179.7-11.7000111.1E90 C94 C101 K105 H106E90-N103 PolarHBondContact OE1-N 3.12Å; C94-N103 PolarHBondContact SG-O 3.11Å; C101-N103 PolarHBondContact SG-O 2.78Å; N103-K105 PolarHBondContact O-N 2.89Å; N103-K105 WeakPolarHBondContact OD1-CB 3.41Å; N103-K105 PolarHBondContact OD1-N 3.43Å; N103-H106 WeakPolarHBondContact O-CB 3.41Å; N103-H106 PolarHBondContact O-N 2.88Å
104P94.8Very high94.1Very high90 Ų9065.6 Ų65.658%0.58434%0.338SS*.G310 helixtrans-55.8-21.9179.1-27.535.4000115.1H106 K107P104-H106 PolarHBondContact O-N 3.5Å; P104-K107 VanDerWaalsContact O-CG 3.3Å; P104-K107 WeakPolarHBondContact O-CG 3.36Å
105K91.6Very high93.8Very high174 Ų17466.6 Ų66.676%0.75735%0.348SS*.G310 helixtrans-71.2-13.3174.7-62.8-173.9178.3-1750113.4N103 K107N103-K105 PolarHBondContact O-N 2.89Å; N103-K105 WeakPolarHBondContact OD1-CB 3.41Å; N103-K105 PolarHBondContact OD1-N 3.43Å; K105-K107 PolarHBondContact O-N 3.14Å
106H95.8Very high93.6Very high17 Ų1765.7 Ų65.78%0.07935%0.348CS..G310 helixtrans-76.73.9-179.9-66.8176.4000114.2I77 E90 C94 N103 P104 H108 L109I77-H106 WeakPolarHBondContact CD1-CD2 3.45Å; I77-H106 WeakPolarHBondContact CD1-NE2 3.36Å; E90-H106 HydrophobicContact CG-CB 4.06Å; E90-H106 IonicContact OE1-CE1 2.91Å; E90-H106 IonicContact OE1-CG 2.75Å; E90-H106 IonicContact OE1-ND1 3.59Å; E90-H106 PolarHBondContact OE1-ND1 2.9Å; C94-H106 HydrophobicContact CB-CB 4.22Å; N103-H106 WeakPolarHBondContact O-CB 3.41Å; N103-H106 PolarHBondContact O-N 2.88Å; P104-H106 PolarHBondContact O-N 3.5Å; H106-H108 PolarHBondContact O-N 3.2Å; H106-H108 VanDerWaalsContact O-N 3.12Å; H106-L109 HydrophobicContact CB-CD1 3.53Å; H106-L109 HydrophobicContact CB-CG 3.79Å; H106-L109 WeakPolarHBondContact O-CG 3.45Å; H106-L109 PolarHBondContact O-N 3.24Å
107K95.1Very high93.4Very high59 Ų5961.6 Ų61.626%0.25734%0.336SS..G310 helixtrans-55.1-27.7174.5-71.3179.6-172.4-151.40113.4C94 R95 D97 P104 K105C94-K107 HydrophobicContact CB-CG 4.09Å; C94-K107 WeakPolarHBondContact O-CE 3.04Å; C94-K107 WeakPolarHBondContact O-CG 3.22Å; R95-K107 HydrophobicContact CG-CB 4.17Å; R95-K107 HydrophobicContact CG-CG 4.42Å; R95-K107 WeakPolarHBondContact CG-O 3.43Å; R95-K107 PolarHBondContact NE-O 3.14Å; D97-K107 VanDerWaalsContact OD1-CE 3.26Å; D97-K107 WeakPolarHBondContact OD1-CE 3.34Å; D97-K107 IonicContact OD1-NZ 3.27Å; D97-K107 PolarHBondContact OD1-NZ 3.17Å; D97-K107 IonicContact OD2-NZ 3.75Å; D97-K107 PolarHBondContact OD2-NZ 3.22Å; P104-K107 VanDerWaalsContact O-CG 3.3Å; P104-K107 WeakPolarHBondContact O-CG 3.36Å; K105-K107 PolarHBondContact O-N 3.14Å
108H91.7Very high92.8Very high138 Ų13860.6 Ų60.664%0.63933%0.326SS*.G310 helixtrans-111.720.8-176.9-54.5-79000113.7H106 H110H106-H108 PolarHBondContact O-N 3.2Å; H106-H108 VanDerWaalsContact O-N 3.12Å; H108-H110 PolarHBondContact O-N 2.83Å; H108-H110 PolarHBondContact O-ND1 3.45Å
109L93.4Very high91.9Very high2 Ų260 Ų601%0.0134%0.336CS..  trans-55.3141.7172.8-77.6174.1000111.1N76 I77 Y81 L87 E90 R91 H106N76-L109 WeakPolarHBondContact OD1-CA 3.34Å; I77-L109 HydrophobicContact CD1-CD2 3.58Å; I77-L109 HydrophobicContact CG1-CD2 3.64Å; Y81-L109 HydrophobicContact CE2-CD1 4.28Å; Y81-L109 HydrophobicContact CE2-CD2 4.25Å; Y81-L109 WeakPolarHBondContact OH-CD1 3.44Å; L87-L109 HydrophobicContact CD2-CB 4.36Å; E90-L109 HydrophobicContact CB-CD1 4.05Å; E90-L109 HydrophobicContact CG-CD1 3.65Å; R91-L109 HydrophobicContact CB-CB 4.09Å; R91-L109 WeakPolarHBondContact CD-O 3.37Å; R91-L109 HydrophobicContact CG-CB 4.4Å; R91-L109 PolarHBondContact NH1-O 2.86Å; H106-L109 HydrophobicContact CB-CD1 3.53Å; H106-L109 HydrophobicContact CB-CG 3.79Å; H106-L109 WeakPolarHBondContact O-CG 3.45Å; H106-L109 PolarHBondContact O-N 3.24Å
110H91.5Very high90.5Very high28 Ų2860.7 Ų60.713%0.1333%0.325CS..  trans-149.7162.4165.157.5-88.5000109.1S75 N76 H108 Q112 I193S75-H110 WeakPolarHBondContact CA-O 3.45Å; N76-H110 WeakPolarHBondContact CB-CE1 3.46Å; N76-H110 WeakPolarHBondContact CB-NE2 3.45Å; N76-H110 PolarHBondContact N-O 3.19Å; N76-H110 VanDerWaalsContact N-O 3.12Å; N76-H110 PolarHBondContact ND2-CE1 3.01Å; N76-H110 PolarHBondContact ND2-ND1 2.75Å; N76-H110 PolarHBondContact OD1-N 2.98Å; N76-H110 PolarHBondContact OD1-O 3.39Å; H108-H110 PolarHBondContact O-N 2.83Å; H108-H110 PolarHBondContact O-ND1 3.45Å; H110-Q112 PolarHBondContact O-N 3.29Å; H110-I193 VanDerWaalsContact CD2-CD1 3.45Å; H110-I193 WeakPolarHBondContact CD2-CD1 3.21Å; H110-I193 VanDerWaalsContact NE2-CD1 3.34Å; H110-I193 WeakPolarHBondContact NE2-CD1 3.24Å
111L91.5Very high88.8Confident0 Ų064.4 Ų64.40%034%0.336CS..EExtended strand (participates in β ladder)trans-64.7127.7174.3-179.466.8000109.7I8 H9 V73 L87 Y113 L114I8-L111 HydrophobicContact CB-CD2 4.41Å; I8-L111 HydrophobicContact CD1-CD2 3.33Å; I8-L111 HydrophobicContact CG1-CD2 4.4Å; I8-L111 HydrophobicContact CG2-CB 4.14Å; I8-L111 HydrophobicContact CG2-CD2 3.88Å; H9-L111 PolarHBondContact CE1-O 3.34Å; V73-L111 HydrophobicContact CB-CD1 3.47Å; V73-L111 VanDerWaalsContact CB-CD1 3.47Å; V73-L111 HydrophobicContact CG1-CD1 3.72Å; V73-L111 HydrophobicContact CG2-CD1 4.24Å; L87-L111 HydrophobicContact CD1-CD1 4.4Å; L111-Y113 WeakPolarHBondContact CD1-O 3.49Å; L111-L114 HydrophobicContact CD2-CD2 4Å
112Q88.9Confident86.9Confident6 Ų673.4 Ų73.43%0.02837%0.372CS..EExtended strand (participates in β ladder)trans-90.4-50.7168.1-17170.241.500110.7C74 H110 H189 T196 A197 I200C74-Q112 WeakPolarHBondContact O-CB 3.22Å; C74-Q112 PolarHBondContact O-N 2.01Å; H110-Q112 PolarHBondContact O-N 3.29Å; Q112-H189 PolarHBondContact OE1-CE1 3.08Å; Q112-T196 PolarHBondContact NE2-OG1 3.42Å; Q112-A197 WeakPolarHBondContact O-CB 3.03Å; Q112-I200 HydrophobicContact CG-CD1 4.03Å
113Y89.3Confident84.8Confident9 Ų970.8 Ų70.84%0.03536%0.356CS..EExtended strand (participates in β ladder)trans-161.6164.3175.756.3-93.9000111.1C74 L111 E116 C117 K118 I200 P201C74-Y113 HydrophobicContact CB-CD1 4.2Å; C74-Y113 HydrophobicContact CB-CD2 3.92Å; C74-Y113 HydrophobicContact CB-CE1 3.8Å; C74-Y113 HydrophobicContact CB-CE2 3.54Å; C74-Y113 HydrophobicContact CB-CG 4.24Å; C74-Y113 VanDerWaalsContact CB-CZ 3.49Å; C74-Y113 PolarHBondContact N-O 3.15Å; C74-Y113 PolarHBondContact O-N 3.32Å; L111-Y113 WeakPolarHBondContact CD1-O 3.49Å; Y113-E116 WeakPolarHBondContact CE2-O 3.27Å; Y113-C117 VanDerWaalsContact OH-CA 3.3Å; Y113-C117 WeakPolarHBondContact OH-CA 3.19Å; Y113-K118 PolarHBondContact OH-N 2.91Å; Y113-I200 HydrophobicContact CD1-CB 4.09Å; Y113-I200 HydrophobicContact CD1-CD1 4.11Å; Y113-I200 HydrophobicContact CD1-CG2 3.83Å; Y113-I200 HydrophobicContact CE1-CB 4.08Å; Y113-I200 HydrophobicContact CE1-CD1 4.31Å; Y113-I200 HydrophobicContact CE1-CG2 3.29Å; Y113-P201 HydrophobicContact CD2-CG 4.07Å; Y113-P201 HydrophobicContact CE2-CG 4.47Å; Y113-P201 HydrophobicContact CG-CG 4.4Å
114L90.7Very high82.9Confident78 Ų7874 Ų7441%0.40837%0.374SS..EExtended strand (participates in β ladder)trans-78.7141.2176.5-56.9174000111.1M4 V73 L111M4-L114 HydrophobicContact CE-CD1 3.58Å; V73-L114 HydrophobicContact CG1-CD2 4Å; L111-L114 HydrophobicContact CD2-CD2 4Å
115G91.1Very high81.1Confident22 Ų2275.5 Ų75.523%0.22737%0.368CS..SBendtrans99174.4-171.400000112.8R72 V73 C74R72-G115 CarbonylContact O-C 3.48Å; R72-G115 VanDerWaalsContact O-CA 3.23Å; R72-G115 WeakPolarHBondContact O-CA 3.42Å; R72-G115 PolarHBondContact O-N 3.35Å; V73-G115 CarbonylContact C-O 3.37Å; V73-G115 WeakPolarHBondContact CA-O 3.32Å; C74-G115 PolarHBondContact N-O 3.34Å
116E91.9Very high79.2Confident85 Ų8575.9 Ų75.940%0.39737%0.371SS..SBendtrans-70.7152.5176.764.8-172.5-168.200112.9R72 T80 Y113 K118R72-E116 IonicContact NH1-OE2 2.67Å; R72-E116 PolarHBondContact NH1-OE2 3.4Å; T80-E116 HydrophobicContact CG2-CB 3.76Å; Y113-E116 WeakPolarHBondContact CE2-O 3.27Å; E116-K118 PolarHBondContact O-N 3.18Å
117C90.8Very high77.2Confident22 Ų2282.9 Ų82.915%0.14940%0.401CS..PPolyproline II helixtrans-61.3120.2175.7-64.20000111.5C74 N78 V79 T80 Y113C74-C117 WeakPolarHBondContact CA-SG 3.09Å; C74-C117 HydrophobicContact CB-CB 3.99Å; C74-C117 WeakPolarHBondContact CB-SG 3.25Å; C74-C117 WeakPolarHBondContact SG-CA 3.49Å; C74-C117 WeakPolarHBondContact SG-CB 3.3Å; C74-C117 CovalentContact SG-SG 2.04Å; C74-C117 PolarHBondContact SG-SG 3.09Å; N78-C117 WeakPolarHBondContact OD1-CB 3.26Å; V79-C117 PolarHBondContact N-SG 3.07Å; V79-C117 PolarHBondContact O-SG 3.17Å; T80-C117 WeakPolarHBondContact OG1-CB 3.4Å; T80-C117 PolarHBondContact OG1-N 3.4Å; Y113-C117 VanDerWaalsContact OH-CA 3.3Å; Y113-C117 WeakPolarHBondContact OH-CA 3.19Å
118K84.4Confident75.5Confident90 Ų9080.7 Ų80.739%0.39139%0.393SS..PPolyproline II helixtrans-69.8131.7167.2-59.5-56.1-177.5-172.90109Y113 E116Y113-K118 PolarHBondContact OH-N 2.91Å; E116-K118 PolarHBondContact O-N 3.18Å
119G77.3Confident73.8Confident49 Ų4977.7 Ų77.751%0.50538%0.378SS..PPolyproline II helixtrans-59.3151.6176.400000111.3H121G119-H121 PolarHBondContact O-N 2.92Å
120K66.5Low72.1Confident151 Ų15184.8 Ų84.866%0.65742%0.416SS*.  trans-66.198.5172.7-61.5-175.9-179.7-172.30108.5K122K120-K122 PolarHBondContact O-N 2.84Å
121H60.6Low70.4Confident132 Ų13289.2 Ų89.261%0.61144%0.437SS*.  trans-64.3117.5163-79.5-82.7000107.1G119 T123G119-H121 PolarHBondContact O-N 2.92Å; H121-T123 HydrophobicContact CB-CG2 4.1Å; H121-T123 PolarHBondContact O-N 3.13Å
122K55.5Low68.9Low214 Ų21491.5 Ų91.593%0.9345%0.448SS*.  trans-70.860168.2-69-176.8178.7-179.50109.1K120K120-K122 PolarHBondContact O-N 2.84Å
123T53.3Low68.4Low61 Ų6194 Ų9437%0.37447%0.47SS..  trans-84.9146.7169.648.70000108.7H121 Y125 C205H121-T123 HydrophobicContact CB-CG2 4.1Å; H121-T123 PolarHBondContact O-N 3.13Å; T123-Y125 PolarHBondContact O-N 2.62Å; T123-Y125 VanDerWaalsContact O-N 3.08Å; T123-C205 WeakPolarHBondContact OG1-CB 3.3Å
124N55.6Low68.4Low127 Ų12794.1 Ų94.168%0.67947%0.471SS*.  trans-54.9117.1170.4-73.3-14000108.9F126 K127N124-F126 PolarHBondContact O-N 2.93Å; N124-K127 PolarHBondContact O-N 2.75Å
125Y55.9Low68.3Low121 Ų12191.2 Ų91.248%0.47546%0.456SS..THydrogen-bonded Turntrans-47.4-29.2-179.8-60.6-87.6000113.4T123 K127 C128 P208 F209T123-Y125 PolarHBondContact O-N 2.62Å; T123-Y125 VanDerWaalsContact O-N 3.08Å; Y125-K127 PolarHBondContact O-N 2.61Å; Y125-K127 VanDerWaalsContact O-N 3.13Å; Y125-C128 PolarHBondContact O-N 3.09Å; Y125-C128 PolarHBondContact O-SG 2.91Å; Y125-P208 HydrophobicContact CD1-CB 4.33Å; Y125-P208 HydrophobicContact CE1-CB 3.45Å; Y125-P208 VanDerWaalsContact CE1-CB 3.45Å; Y125-F209 HydrophobicContact CD1-CB 4.03Å
126F52.1Low68.3Low183 Ų18393.7 Ų93.780%0.80346%0.462SS*.Hα-helixtrans-51.4-31.9174.7-79.7-81.6000114.8N124N124-F126 PolarHBondContact O-N 2.93Å
127K53.7Low68.2Low164 Ų16492.8 Ų92.871%0.71346%0.462SS*.Hα-helixtrans-77.6-20.5-179.8-72.2-168.7175.8-173.30114.2N124 Y125 F129N124-K127 PolarHBondContact O-N 2.75Å; Y125-K127 PolarHBondContact O-N 2.61Å; Y125-K127 VanDerWaalsContact O-N 3.13Å; K127-F129 VanDerWaalsContact C-N 3.29Å
128C59.4Low68.3Low12 Ų1291.9 Ų91.98%0.08146%0.456CS..Hα-helixtrans-78.2-23177.8-37.10000111.1Y125 C205Y125-C128 PolarHBondContact O-N 3.09Å; Y125-C128 PolarHBondContact O-SG 2.91Å; C128-C205 HydrophobicContact CB-CB 4.34Å; C128-C205 WeakPolarHBondContact CB-SG 3.03Å; C128-C205 WeakPolarHBondContact SG-CB 3.42Å; C128-C205 CovalentContact SG-SG 2.01Å; C128-C205 PolarHBondContact SG-SG 3.34Å
129F56.4Low68.7Low75 Ų7590.8 Ų90.833%0.32945%0.449SS..Hα-helixtrans-80-26.6-173.5-172.5-109.3000113.2K127 Q131 L132 F209 L230K127-F129 VanDerWaalsContact C-N 3.29Å; F129-Q131 PolarHBondContact O-N 3Å; F129-L132 PolarHBondContact O-N 2.72Å; F129-F209 HydrophobicContact CD2-CE1 4.26Å; F129-F209 HydrophobicContact CD2-CE2 4.37Å; F129-F209 AromaticContact CD2-CZ 3.71Å; F129-F209 HydrophobicContact CD2-CZ 3.71Å; F129-F209 HydrophobicContact CE2-CZ 4.38Å; F129-L230 HydrophobicContact CD2-CD2 3.97Å; F129-L230 VanDerWaalsContact CE2-CA 3.46Å; F129-L230 HydrophobicContact CE2-CB 3.71Å; F129-L230 HydrophobicContact CE2-CD2 3.4Å; F129-L230 HydrophobicContact CE2-CG 4.09Å; F129-L230 VanDerWaalsContact CZ-C 3.5Å; F129-L230 HydrophobicContact CZ-CB 3.97Å; F129-L230 HydrophobicContact CZ-CD2 4.47Å; F129-L230 WeakPolarHBondContact CZ-O 3.26Å
130D58.3Low69.4Low151 Ų15190.9 Ų90.981%0.80744%0.438SS*.THydrogen-bonded Turntrans-66.9-0.7-177.9-146.715.6000114.1
131Q54.4Low70.7Confident122 Ų12285.1 Ų85.157%0.5741%0.414SS*.THydrogen-bonded Turntrans-112.4-7.4-177.8-69.5-179.24.100114.9F129 A133 E203F129-Q131 PolarHBondContact O-N 3Å; Q131-A133 PolarHBondContact O-N 3.29Å; Q131-E203 PolarHBondContact NE2-OE1 3.36Å; Q131-E203 PolarHBondContact OE1-OE1 2.88Å
132L60.6Low72.3Confident47 Ų4782 Ų8225%0.24640%0.399CS..  trans-81.361.4172.6-79.4165.5000110.1F129 L134 L230F129-L132 PolarHBondContact O-N 2.72Å; L132-L134 HydrophobicContact CB-CG 4.23Å; L132-L134 HydrophobicContact CD2-CD2 3.79Å; L132-L134 HydrophobicContact CD2-CG 4.22Å; L132-L134 PolarHBondContact O-N 2.75Å; L132-L230 HydrophobicContact CD1-CD2 4.1Å
133A79.3Confident74.2Confident59 Ų5979.4 Ų79.449%0.48839%0.387SS..  trans-69.862162.900000109.1Q131 L135 Q136 V137Q131-A133 PolarHBondContact O-N 3.29Å; A133-L135 PolarHBondContact O-N 3.34Å; A133-L135 VanDerWaalsContact O-N 3.11Å; A133-Q136 HydrophobicContact CB-CB 3.95Å; A133-Q136 WeakPolarHBondContact O-CA 3.26Å; A133-Q136 VanDerWaalsContact O-CB 3.32Å; A133-Q136 WeakPolarHBondContact O-CB 3.07Å; A133-Q136 PolarHBondContact O-N 2.89Å; A133-V137 PolarHBondContact O-N 2.94Å; A133-V137 VanDerWaalsContact O-N 3.1Å
134L87.8Confident76.2Confident11 Ų1183.1 Ų83.16%0.05840%0.395CS..Hα-helixtrans-54-34.4-177.3-71.8173.3000111L132 Q136 V137 M138 P170 I171 W173 K174 L230L132-L134 HydrophobicContact CB-CG 4.23Å; L132-L134 HydrophobicContact CD2-CD2 3.79Å; L132-L134 HydrophobicContact CD2-CG 4.22Å; L132-L134 PolarHBondContact O-N 2.75Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 2.98Å; L134-V137 WeakPolarHBondContact O-CB 3.47Å; L134-V137 PolarHBondContact O-N 2.91Å; L134-M138 VanDerWaalsContact O-CG 3.31Å; L134-M138 WeakPolarHBondContact O-CG 3.36Å; L134-M138 PolarHBondContact O-N 3.02Å; L134-P170 HydrophobicContact CB-CB 3.36Å; L134-I171 HydrophobicContact CD1-CG1 4.21Å; L134-W173 HydrophobicContact CD2-CZ3 4.28Å; L134-K174 HydrophobicContact CD1-CB 3.86Å; L134-K174 HydrophobicContact CD1-CG 4.33Å; L134-K174 HydrophobicContact CD2-CB 3.85Å; L134-K174 HydrophobicContact CD2-CD 4.08Å; L134-K174 HydrophobicContact CD2-CG 3.74Å; L134-K174 HydrophobicContact CG-CB 4.45Å; L134-L230 HydrophobicContact CD1-CD1 4.5Å
135L90.2Very high78Confident18 Ų1885.4 Ų85.49%0.09440%0.401CS..Hα-helixtrans-60.4-40.4173.5-172.458.2000112.5A133 M138 R139 A159 K166 P170A133-L135 PolarHBondContact O-N 3.34Å; A133-L135 VanDerWaalsContact O-N 3.11Å; L135-M138 PolarHBondContact O-N 3.35Å; L135-R139 WeakPolarHBondContact O-CG 3.47Å; L135-R139 PolarHBondContact O-N 3.15Å; L135-A159 HydrophobicContact CD1-CB 4.24Å; L135-K166 HydrophobicContact CD2-CB 3.94Å; L135-K166 HydrophobicContact CD2-CG 3.95Å; L135-P170 HydrophobicContact CB-CB 4.44Å; L135-P170 HydrophobicContact CB-CG 3.71Å; L135-P170 HydrophobicContact CD1-CG 3.89Å; L135-P170 HydrophobicContact CG-CG 4.35Å
136Q90.8Very high79.7Confident74 Ų7484 Ų8435%0.34640%0.399SS..Hα-helixtrans-68.1-41.1177-173.454.445.100111A133 L134 M138 R139 D140A133-Q136 HydrophobicContact CB-CB 3.95Å; A133-Q136 WeakPolarHBondContact O-CA 3.26Å; A133-Q136 VanDerWaalsContact O-CB 3.32Å; A133-Q136 WeakPolarHBondContact O-CB 3.07Å; A133-Q136 PolarHBondContact O-N 2.89Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 2.98Å; Q136-M138 VanDerWaalsContact C-N 3.33Å; Q136-M138 PolarHBondContact O-N 3.42Å; Q136-R139 WeakPolarHBondContact O-CB 3.07Å; Q136-R139 PolarHBondContact O-N 3.25Å; Q136-D140 PolarHBondContact NE2-OD1 3.4Å; Q136-D140 PolarHBondContact NE2-OD2 3.14Å; Q136-D140 VanDerWaalsContact O-CG 3.31Å; Q136-D140 PolarHBondContact O-N 3.02Å
137V89.6Confident81.6Confident66 Ų6675.9 Ų75.940%0.436%0.364SS..Hα-helixtrans-58.3-46.9173.2178.90000110.7A133 L134 R139 D140 L141 W173A133-V137 PolarHBondContact O-N 2.94Å; A133-V137 VanDerWaalsContact O-N 3.1Å; L134-V137 WeakPolarHBondContact O-CB 3.47Å; L134-V137 PolarHBondContact O-N 2.91Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 3.47Å; V137-D140 PolarHBondContact O-N 3.4Å; V137-L141 HydrophobicContact CG1-CD1 4.02Å; V137-L141 HydrophobicContact CG1-CG 4.41Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 2.79Å; V137-W173 HydrophobicContact CG1-CH2 3.94Å; V137-W173 HydrophobicContact CG1-CZ3 4.32Å
138M92Very high83.2Confident2 Ų277.3 Ų77.31%0.0137%0.366CS..Hα-helixtrans-58.5-43.6175.6-72.4-178.58200112.2L134 L135 Q136 D140 L141 K142 W152 I156 P170 W173L134-M138 VanDerWaalsContact O-CG 3.31Å; L134-M138 WeakPolarHBondContact O-CG 3.36Å; L134-M138 PolarHBondContact O-N 3.02Å; L135-M138 PolarHBondContact O-N 3.35Å; Q136-M138 VanDerWaalsContact C-N 3.33Å; Q136-M138 PolarHBondContact O-N 3.42Å; M138-D140 VanDerWaalsContact C-N 3.34Å; M138-D140 PolarHBondContact O-N 2.89Å; M138-L141 PolarHBondContact O-N 3.06Å; M138-K142 WeakPolarHBondContact O-CB 3.41Å; M138-K142 PolarHBondContact O-N 3.48Å; M138-W152 HydrophobicContact CE-CB 4.22Å; M138-W152 HydrophobicContact CE-CE3 4.44Å; M138-I156 HydrophobicContact CB-CD1 3.93Å; M138-I156 HydrophobicContact CB-CG1 4.13Å; M138-I156 HydrophobicContact CE-CD1 4.35Å; M138-I156 HydrophobicContact CE-CG1 3.93Å; M138-P170 VanDerWaalsContact SD-CA 3.56Å; M138-P170 HydrophobicContact SD-CB 3.76Å; M138-P170 HydrophobicContact SD-CG 3.93Å; M138-W173 HydrophobicContact CE-CB 3.74Å; M138-W173 HydrophobicContact CE-CD2 3.96Å; M138-W173 HydrophobicContact CE-CE3 4.46Å; M138-W173 HydrophobicContact CE-CG 3.59Å; M138-W173 HydrophobicContact CG-CD2 3.49Å; M138-W173 VanDerWaalsContact CG-CD2 3.49Å; M138-W173 HydrophobicContact CG-CE3 3.22Å; M138-W173 HydrophobicContact CG-CG 4.16Å; M138-W173 HydrophobicContact CG-CH2 4.02Å; M138-W173 HydrophobicContact CG-CZ2 4.26Å; M138-W173 HydrophobicContact CG-CZ3 3.5Å; M138-W173 VanDerWaalsContact CG-CZ3 3.5Å; M138-W173 HydrophobicContact SD-CB 3.93Å; M138-W173 HydrophobicContact SD-CD2 3.79Å; M138-W173 HydrophobicContact SD-CE3 3.68Å; M138-W173 HydrophobicContact SD-CG 3.89Å; M138-W173 HydrophobicContact SD-CZ3 4.5Å
139R92.8Very high84.6Confident68 Ų6878.5 Ų78.526%0.25738%0.381SS..Hα-helixtrans-61.2-42.5175.6-74.4172.6178.3145.43.9112L135 Q136 V137 K142 K143 I156 E160L135-R139 WeakPolarHBondContact O-CG 3.47Å; L135-R139 PolarHBondContact O-N 3.15Å; Q136-R139 WeakPolarHBondContact O-CB 3.07Å; Q136-R139 PolarHBondContact O-N 3.25Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 3.47Å; R139-K142 PolarHBondContact O-N 3.33Å; R139-K143 WeakPolarHBondContact O-CG 3.43Å; R139-K143 PolarHBondContact O-N 3.17Å; R139-I156 HydrophobicContact CG-CG2 4.32Å; R139-E160 IonicContact NE-OE1 3.42Å; R139-E160 PolarHBondContact NE-OE1 3.39Å; R139-E160 IonicContact NH2-OE1 3.35Å
140D93.4Very high86.1Confident50 Ų5081 Ų8127%0.26740%0.397SS..Hα-helixtrans-71.1-36.3-179-66.6-26.3000111.7Q136 V137 M138 K143 R144Q136-D140 PolarHBondContact NE2-OD1 3.4Å; Q136-D140 PolarHBondContact NE2-OD2 3.14Å; Q136-D140 VanDerWaalsContact O-CG 3.31Å; Q136-D140 PolarHBondContact O-N 3.02Å; V137-D140 PolarHBondContact O-N 3.4Å; M138-D140 VanDerWaalsContact C-N 3.34Å; M138-D140 PolarHBondContact O-N 2.89Å; D140-K143 PolarHBondContact O-N 3.26Å; D140-R144 WeakPolarHBondContact O-CG 3.22Å; D140-R144 PolarHBondContact O-N 3.17Å
141L93.3Very high87.7Confident30 Ų3079 Ų7916%0.15738%0.383CS..Hα-helixtrans-64.5-44.2170.1-69.2169.9000111.9V137 M138 K143 R144 Q145 E146 L147 W173V137-L141 HydrophobicContact CG1-CD1 4.02Å; V137-L141 HydrophobicContact CG1-CG 4.41Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 2.79Å; M138-L141 PolarHBondContact O-N 3.06Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.24Å; L141-R144 CarbonylContact O-C 3.03Å; L141-R144 PolarHBondContact O-N 2.94Å; L141-Q145 PolarHBondContact O-N 2.92Å; L141-E146 HydrophobicContact CD2-CB 3.8Å; L141-E146 PolarHBondContact O-N 2.8Å; L141-L147 HydrophobicContact CB-CB 3.93Å; L141-L147 HydrophobicContact CB-CD1 4.39Å; L141-L147 HydrophobicContact CD1-CD1 4.41Å; L141-L147 PolarHBondContact O-N 2.95Å; L141-W173 HydrophobicContact CD1-CH2 3.52Å; L141-W173 HydrophobicContact CD1-CZ2 3.41Å; L141-W173 VanDerWaalsContact CD1-CZ2 3.41Å
142K93.6Very high89.6Confident66 Ų6674.5 Ų74.529%0.28736%0.361SS..Hα-helixtrans-57.3-46.6174.4179.8177.8177.2172.60110.8M138 R139 R144 Q145 L147 I153 I156 E157M138-K142 WeakPolarHBondContact O-CB 3.41Å; M138-K142 PolarHBondContact O-N 3.48Å; R139-K142 PolarHBondContact O-N 3.33Å; K142-R144 VanDerWaalsContact C-N 3.32Å; K142-R144 PolarHBondContact O-N 3.35Å; K142-Q145 PolarHBondContact O-N 2.94Å; K142-Q145 VanDerWaalsContact O-N 3.11Å; K142-L147 HydrophobicContact CB-CD2 4.16Å; K142-I153 HydrophobicContact CD-CG2 4.25Å; K142-I156 HydrophobicContact CB-CD1 4.06Å; K142-I156 HydrophobicContact CD-CD1 3.9Å; K142-E157 IonicContact NZ-OE1 3.38Å; K142-E157 PolarHBondContact NZ-OE1 2.04Å
143K95Very high91Very high160 Ų16074.6 Ų74.670%0.69636%0.361SS*.Hα-helixtrans-61.3-36.8177.4-75.6174.6-175.8172.60113R139 D140 L141 Q145R139-K143 WeakPolarHBondContact O-CG 3.43Å; R139-K143 PolarHBondContact O-N 3.17Å; D140-K143 PolarHBondContact O-N 3.26Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.24Å; K143-Q145 VanDerWaalsContact C-N 3.29Å
144R95.9Very high91.6Very high139 Ų13977.3 Ų77.353%0.52536%0.364SS..THydrogen-bonded Turntrans-83.2-0.9176.9-67.1-168.7-59.7-95.5-1114D140 L141 K142 E146D140-R144 WeakPolarHBondContact O-CG 3.22Å; D140-R144 PolarHBondContact O-N 3.17Å; L141-R144 CarbonylContact O-C 3.03Å; L141-R144 PolarHBondContact O-N 2.94Å; K142-R144 VanDerWaalsContact C-N 3.32Å; K142-R144 PolarHBondContact O-N 3.35Å; R144-E146 HydrophobicContact CB-CB 4.39Å; R144-E146 HydrophobicContact CB-CG 3.91Å; R144-E146 IonicContact CZ-OE2 3.12Å; R144-E146 IonicContact NE-OE2 2.74Å; R144-E146 PolarHBondContact NE-OE2 3.17Å; R144-E146 IonicContact NH2-OE2 2.64Å; R144-E146 PolarHBondContact NH2-OE2 3.09Å; R144-E146 PolarHBondContact O-N 3.19Å
145Q92.8Very high91.8Very high176 Ų17679 Ų7982%0.82237%0.372SS*.THydrogen-bonded Turntrans58.530.6-172.8-55.8177.8-2100113L141 K142 K143L141-Q145 PolarHBondContact O-N 2.92Å; K142-Q145 PolarHBondContact O-N 2.94Å; K142-Q145 VanDerWaalsContact O-N 3.11Å; K143-Q145 VanDerWaalsContact C-N 3.29Å
146E92.2Very high91.9Very high90 Ų9078.2 Ų78.242%0.42137%0.368SS..  trans-104.7-0.3179.7-67.8175.5163.900112.3L141 R144 Y148L141-E146 HydrophobicContact CD2-CB 3.8Å; L141-E146 PolarHBondContact O-N 2.8Å; R144-E146 HydrophobicContact CB-CB 4.39Å; R144-E146 HydrophobicContact CB-CG 3.91Å; R144-E146 IonicContact CZ-OE2 3.12Å; R144-E146 IonicContact NE-OE2 2.74Å; R144-E146 PolarHBondContact NE-OE2 3.17Å; R144-E146 IonicContact NH2-OE2 2.64Å; R144-E146 PolarHBondContact NH2-OE2 3.09Å; R144-E146 PolarHBondContact O-N 3.19Å; E146-Y148 WeakPolarHBondContact O-CD2 3.37Å; E146-Y148 WeakPolarHBondContact O-CE2 3.47Å; E146-Y148 PolarHBondContact O-N 2.95Å
147L91.9Very high92Very high14 Ų1478.5 Ų78.57%0.07337%0.369CS..  trans-87.5101.5174.4-172.468.6000109.8L141 K142 W152 I153 I156 W173L141-L147 HydrophobicContact CB-CB 3.93Å; L141-L147 HydrophobicContact CB-CD1 4.39Å; L141-L147 HydrophobicContact CD1-CD1 4.41Å; L141-L147 PolarHBondContact O-N 2.95Å; K142-L147 HydrophobicContact CB-CD2 4.16Å; L147-W152 HydrophobicContact CD1-CB 4.23Å; L147-W152 HydrophobicContact CD2-CB 3.93Å; L147-W152 HydrophobicContact CG-CB 4.07Å; L147-I153 HydrophobicContact CD2-CG1 4.16Å; L147-I156 HydrophobicContact CD2-CD1 3.47Å; L147-I156 VanDerWaalsContact CD2-CD1 3.47Å; L147-W173 HydrophobicContact CD1-CZ2 4.06Å
148Y88.1Confident92.1Very high194 Ų19478.8 Ų78.876%0.76137%0.366SS*.  trans-81.9127.1-178.2-59.4-76.9000112.2E146E146-Y148 WeakPolarHBondContact O-CD2 3.37Å; E146-Y148 WeakPolarHBondContact O-CE2 3.47Å; E146-Y148 PolarHBondContact O-N 2.95Å
149G87.7Confident92Very high37 Ų3778.7 Ų78.738%0.38137%0.366SS..  trans106.8113.6175.800000112.8Q151 W152G149-Q151 PolarHBondContact O-N 2.89Å; G149-Q151 VanDerWaalsContact O-N 3.11Å; G149-W152 PolarHBondContact O-N 2.95Å
150D89Confident91.9Very high127 Ų12780 Ų8068%0.67938%0.375SS*.Hα-helixtrans-58.4-29.2-174.6-63.9-23.4000113.3W152 I153 Q154D150-W152 VanDerWaalsContact C-N 3.27Å; D150-W152 PolarHBondContact O-N 2.98Å; D150-I153 WeakPolarHBondContact O-CB 3.43Å; D150-I153 PolarHBondContact O-N 3.42Å; D150-I153 VanDerWaalsContact O-N 3.16Å; D150-Q154 PolarHBondContact O-N 2.97Å; D150-Q154 VanDerWaalsContact O-N 3.12Å
151Q91.8Very high91.8Very high110 Ų11086.1 Ų86.151%0.51439%0.394SS..Hα-helixtrans-57.5-37.8175.369.1-173.314.400112.6G149 I153 Q154 M155G149-Q151 PolarHBondContact O-N 2.89Å; G149-Q151 VanDerWaalsContact O-N 3.11Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-Q154 PolarHBondContact O-N 3.4Å; Q151-M155 VanDerWaalsContact O-CG 3.31Å; Q151-M155 WeakPolarHBondContact O-CG 3.42Å; Q151-M155 PolarHBondContact O-N 3.4Å
152W93Very high91.7Very high26 Ų2688.1 Ų88.110%0.09841%0.405CS..Hα-helixtrans-73.7-30.5-179.6-57.1120000111.8M138 L147 G149 D150 M155 I156 I172 W173 C176M138-W152 HydrophobicContact CE-CB 4.22Å; M138-W152 HydrophobicContact CE-CE3 4.44Å; L147-W152 HydrophobicContact CD1-CB 4.23Å; L147-W152 HydrophobicContact CD2-CB 3.93Å; L147-W152 HydrophobicContact CG-CB 4.07Å; G149-W152 PolarHBondContact O-N 2.95Å; D150-W152 VanDerWaalsContact C-N 3.27Å; D150-W152 PolarHBondContact O-N 2.98Å; W152-M155 HydrophobicContact CE3-CE 4.44Å; W152-M155 HydrophobicContact CE3-SD 3.39Å; W152-M155 HydrophobicContact CZ3-CE 4.19Å; W152-M155 HydrophobicContact CZ3-SD 3.41Å; W152-M155 WeakPolarHBondContact CZ3-SD 3.45Å; W152-M155 PolarHBondContact O-N 2.8Å; W152-I156 WeakPolarHBondContact O-CG1 3.22Å; W152-I156 PolarHBondContact O-N 2.84Å; W152-I156 VanDerWaalsContact O-N 3.08Å; W152-I172 HydrophobicContact CH2-CG2 4.32Å; W152-W173 HydrophobicContact CD2-CB 4.24Å; W152-W173 AromaticContact CD2-CD1 3.51Å; W152-W173 HydrophobicContact CD2-CG 4.23Å; W152-W173 AromaticContact CE2-CD1 3.73Å; W152-W173 HydrophobicContact CE3-CB 3.66Å; W152-W173 AromaticContact CE3-CD1 3.84Å; W152-W173 HydrophobicContact CE3-CG 4.11Å; W152-W173 AromaticContact CG-CD1 3.77Å; W152-W173 HydrophobicContact CH2-CB 4.14Å; W152-W173 VanDerWaalsContact CZ3-CA 3.5Å; W152-W173 HydrophobicContact CZ3-CB 3.6Å; W152-W173 HydrophobicContact CZ3-CG 4.42Å; W152-C176 HydrophobicContact CH2-CB 4.16Å; W152-C176 HydrophobicContact CZ2-CB 3.95Å
153I92Very high91.4Very high50 Ų5090.4 Ų90.426%0.25642%0.42SS..Hα-helixtrans-64.8-43.7173.8-67.5171.9000110.3K142 L147 D150 Q151 I156K142-I153 HydrophobicContact CD-CG2 4.25Å; L147-I153 HydrophobicContact CD2-CG1 4.16Å; D150-I153 WeakPolarHBondContact O-CB 3.43Å; D150-I153 PolarHBondContact O-N 3.42Å; D150-I153 VanDerWaalsContact O-N 3.16Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; I153-I156 PolarHBondContact O-N 3.08Å
154Q91.9Very high91Very high116 Ų11686.6 Ų86.654%0.54241%0.405SS..Hα-helixtrans-66-43.1175.9-67.1175.71.700111.7D150 Q151 I156 E157 E158D150-Q154 PolarHBondContact O-N 2.97Å; D150-Q154 VanDerWaalsContact O-N 3.12Å; Q151-Q154 PolarHBondContact O-N 3.4Å; Q154-I156 VanDerWaalsContact C-N 3.28Å; Q154-I156 PolarHBondContact O-N 3.38Å; Q154-E157 WeakPolarHBondContact O-CB 3.39Å; Q154-E157 PolarHBondContact O-N 2.87Å; Q154-E158 PolarHBondContact O-N 3.49Å
155M91.5Very high90.7Very high45 Ų4581.2 Ų81.222%0.22239%0.386CS..Hα-helixtrans-60.6-34.3176.4-76.2-177.7-172.800112.9Q151 W152 E157 E158 A159 Y169Q151-M155 VanDerWaalsContact O-CG 3.31Å; Q151-M155 WeakPolarHBondContact O-CG 3.42Å; Q151-M155 PolarHBondContact O-N 3.4Å; W152-M155 HydrophobicContact CE3-CE 4.44Å; W152-M155 HydrophobicContact CE3-SD 3.39Å; W152-M155 HydrophobicContact CZ3-CE 4.19Å; W152-M155 HydrophobicContact CZ3-SD 3.41Å; W152-M155 WeakPolarHBondContact CZ3-SD 3.45Å; W152-M155 PolarHBondContact O-N 2.8Å; M155-E157 VanDerWaalsContact C-N 3.31Å; M155-E157 PolarHBondContact O-N 3.17Å; M155-E158 PolarHBondContact O-N 3.47Å; M155-A159 VanDerWaalsContact O-CB 3.22Å; M155-A159 WeakPolarHBondContact O-CB 3.25Å; M155-A159 PolarHBondContact O-N 2.97Å; M155-Y169 HydrophobicContact CB-CD2 3.65Å; M155-Y169 HydrophobicContact CB-CE2 4.15Å; M155-Y169 HydrophobicContact CB-CG 4.19Å; M155-Y169 HydrophobicContact CG-CD2 3.88Å; M155-Y169 HydrophobicContact CG-CE2 4.01Å; M155-Y169 HydrophobicContact CG-CG 4.29Å; M155-Y169 WeakPolarHBondContact O-CD2 3.45Å; M155-Y169 HydrophobicContact SD-CD1 4.48Å; M155-Y169 HydrophobicContact SD-CD2 4.48Å; M155-Y169 HydrophobicContact SD-CG 4.29Å
156I92.5Very high90.6Very high2 Ų275.8 Ų75.81%0.0136%0.36CS..Hα-helixtrans-60.3-43.9172.8-70.5163.7000110.6M138 R139 K142 L147 W152 I153 Q154 A159 E160M138-I156 HydrophobicContact CB-CD1 3.93Å; M138-I156 HydrophobicContact CB-CG1 4.13Å; M138-I156 HydrophobicContact CE-CD1 4.35Å; M138-I156 HydrophobicContact CE-CG1 3.93Å; R139-I156 HydrophobicContact CG-CG2 4.32Å; K142-I156 HydrophobicContact CB-CD1 4.06Å; K142-I156 HydrophobicContact CD-CD1 3.9Å; L147-I156 HydrophobicContact CD2-CD1 3.47Å; L147-I156 VanDerWaalsContact CD2-CD1 3.47Å; W152-I156 WeakPolarHBondContact O-CG1 3.22Å; W152-I156 PolarHBondContact O-N 2.84Å; W152-I156 VanDerWaalsContact O-N 3.08Å; I153-I156 PolarHBondContact O-N 3.08Å; Q154-I156 VanDerWaalsContact C-N 3.28Å; Q154-I156 PolarHBondContact O-N 3.38Å; I156-A159 PolarHBondContact O-N 3.33Å; I156-E160 WeakPolarHBondContact O-CG 3.41Å; I156-E160 PolarHBondContact O-N 2.79Å
157E91.7Very high90.3Very high80 Ų8077.6 Ų77.637%0.37437%0.368SS..Hα-helixtrans-69.7-37-177.9-66.9170.3-168.600111.7K142 Q154 M155 E160 R161K142-E157 IonicContact NZ-OE1 3.38Å; K142-E157 PolarHBondContact NZ-OE1 2.04Å; Q154-E157 WeakPolarHBondContact O-CB 3.39Å; Q154-E157 PolarHBondContact O-N 2.87Å; M155-E157 VanDerWaalsContact C-N 3.31Å; M155-E157 PolarHBondContact O-N 3.17Å; E157-E160 PolarHBondContact O-N 2.8Å; E157-R161 VanDerWaalsContact O-CZ 3.23Å; E157-R161 PolarHBondContact O-NH1 3.01Å
158E92.2Very high90.2Very high73 Ų7377.3 Ų77.334%0.34137%0.367SS..Hα-helixtrans-64.8-46.2171.8-71.1174.5179.300111.9Q154 M155 E160 R161 D162 L165 Y169Q154-E158 PolarHBondContact O-N 3.49Å; M155-E158 PolarHBondContact O-N 3.47Å; E158-E160 VanDerWaalsContact C-N 3.25Å; E158-E160 PolarHBondContact O-N 2.74Å; E158-R161 PolarHBondContact O-N 3.37Å; E158-D162 PolarHBondContact O-N 2.64Å; E158-L165 HydrophobicContact CB-CD1 4.4Å; E158-Y169 HydrophobicContact CB-CE2 3.91Å; E158-Y169 WeakPolarHBondContact OE2-CE2 3.26Å; E158-Y169 PolarHBondContact OE2-OH 2.89Å
159A90.3Very high90.4Very high0 Ų069 Ų690%033%0.334CS..Hα-helixtrans-60.7-32.9175.700000112.6L135 M155 I156 R161 D162 L165 K166 Y169L135-A159 HydrophobicContact CD1-CB 4.24Å; M155-A159 VanDerWaalsContact O-CB 3.22Å; M155-A159 WeakPolarHBondContact O-CB 3.25Å; M155-A159 PolarHBondContact O-N 2.97Å; I156-A159 PolarHBondContact O-N 3.33Å; A159-R161 PolarHBondContact O-N 2.85Å; A159-D162 PolarHBondContact O-N 3.45Å; A159-D162 VanDerWaalsContact O-O 3.05Å; A159-L165 HydrophobicContact CB-CB 4.22Å; A159-K166 WeakPolarHBondContact O-CE 3.49Å; A159-K166 WeakPolarHBondContact O-CG 3.47Å; A159-Y169 HydrophobicContact CB-CD2 4.27Å
160E89.9Confident90.6Very high95 Ų9567.3 Ų67.344%0.44432%0.317SS..Hα-helixtrans-63.4-25.9176-78.8175.3173.400113.4R139 I156 E157 E158R139-E160 IonicContact NE-OE1 3.42Å; R139-E160 PolarHBondContact NE-OE1 3.39Å; R139-E160 IonicContact NH2-OE1 3.35Å; I156-E160 WeakPolarHBondContact O-CG 3.41Å; I156-E160 PolarHBondContact O-N 2.79Å; E157-E160 PolarHBondContact O-N 2.8Å; E158-E160 VanDerWaalsContact C-N 3.25Å; E158-E160 PolarHBondContact O-N 2.74Å
161R92.2Very high90.8Very high179 Ų17961.9 Ų61.968%0.67529%0.288SS*.Hα-helixtrans-93.8-16-178.5-62.5-175.3-65.6-91.85.5114.2E157 E158 A159E157-R161 VanDerWaalsContact O-CZ 3.23Å; E157-R161 PolarHBondContact O-NH1 3.01Å; E158-R161 PolarHBondContact O-N 3.37Å; A159-R161 PolarHBondContact O-N 2.85Å
162D90.4Very high90.8Very high72 Ų7258.3 Ų58.339%0.38527%0.272SS..  trans-133.6114.2-176.3-175-28.6000110.9E158 A159 H164 L165 K166E158-D162 PolarHBondContact O-N 2.64Å; A159-D162 PolarHBondContact O-N 3.45Å; A159-D162 VanDerWaalsContact O-O 3.05Å; D162-H164 PolarHBondContact O-N 3.19Å; D162-H164 VanDerWaalsContact OD1-CB 3.25Å; D162-H164 WeakPolarHBondContact OD1-CB 3.35Å; D162-H164 PolarHBondContact OD1-N 3.02Å; D162-L165 HydrophobicContact CB-CB 4.02Å; D162-L165 HydrophobicContact CB-CD1 3.8Å; D162-L165 HydrophobicContact CB-CG 3.8Å; D162-L165 PolarHBondContact O-N 3.43Å; D162-L165 PolarHBondContact OD1-N 3.45Å; D162-K166 PolarHBondContact O-N 3.11Å; D162-K166 VanDerWaalsContact O-N 3.09Å
163D87.1Confident90.8Very high114 Ų11457.5 Ų57.561%0.6127%0.269SS*.THydrogen-bonded Turntrans-58.6-28.9-178.5-76.5-16.2000113.9K166 H167D163-K166 WeakPolarHBondContact O-CB 3.43Å; D163-K166 WeakPolarHBondContact OD1-CE 3.49Å; D163-K166 IonicContact OD1-NZ 3.8Å; D163-K166 PolarHBondContact OD1-NZ 3.14Å; D163-H167 PolarHBondContact O-ND1 3.37Å; D163-H167 VanDerWaalsContact O-ND1 3.09Å
164H87.2Confident90.7Very high80 Ų8056.2 Ų56.237%0.3726%0.261SS..THydrogen-bonded Turntrans-71.1-44.2174.9-179.4-103.3000110.7D162 K166 H167 V168 H237D162-H164 PolarHBondContact O-N 3.19Å; D162-H164 VanDerWaalsContact OD1-CB 3.25Å; D162-H164 WeakPolarHBondContact OD1-CB 3.35Å; D162-H164 PolarHBondContact OD1-N 3.02Å; H164-K166 PolarHBondContact O-N 2.84Å; H164-H167 PolarHBondContact O-N 2.96Å; H164-H167 VanDerWaalsContact O-N 3.15Å; H164-V168 PolarHBondContact O-N 2.72Å; H164-H237 AromaticContact CE1-CE1 3.62Å; H164-H237 AromaticContact CE1-ND1 3.74Å; H164-H237 AromaticContact NE2-CE1 3.38Å; H164-H237 PolarHBondContact NE2-CE1 2.89Å; H164-H237 AromaticContact NE2-ND1 3.9Å
165L89.6Confident90.8Very high26 Ų2651 Ų5114%0.13624%0.237CC..Hα-helixtrans-67.3-24178.9-60.9-176.5000112.7E158 A159 D162 H167 V168 Y169E158-L165 HydrophobicContact CB-CD1 4.4Å; A159-L165 HydrophobicContact CB-CB 4.22Å; D162-L165 HydrophobicContact CB-CB 4.02Å; D162-L165 HydrophobicContact CB-CD1 3.8Å; D162-L165 HydrophobicContact CB-CG 3.8Å; D162-L165 PolarHBondContact O-N 3.43Å; D162-L165 PolarHBondContact OD1-N 3.45Å; L165-H167 PolarHBondContact O-N 2.83Å; L165-H167 VanDerWaalsContact O-N 3.1Å; L165-V168 PolarHBondContact O-N 3.27Å; L165-Y169 HydrophobicContact CB-CD2 4.12Å; L165-Y169 HydrophobicContact CB-CE2 4.13Å; L165-Y169 HydrophobicContact CD1-CE2 3.75Å; L165-Y169 HydrophobicContact CD2-CD1 4.32Å; L165-Y169 HydrophobicContact CD2-CE1 3.8Å; L165-Y169 HydrophobicContact CD2-CE2 4.12Å; L165-Y169 HydrophobicContact CG-CE2 4.21Å; L165-Y169 PolarHBondContact O-N 3.49Å
166K90Very high90.8Very high62 Ų6251.2 Ų51.227%0.2724%0.242SC..Hα-helixtrans-55.3-24.9171.2-66.8-177.8-174.11630114L135 A159 D162 D163 H164 P170L135-K166 HydrophobicContact CD2-CB 3.94Å; L135-K166 HydrophobicContact CD2-CG 3.95Å; A159-K166 WeakPolarHBondContact O-CE 3.49Å; A159-K166 WeakPolarHBondContact O-CG 3.47Å; D162-K166 PolarHBondContact O-N 3.11Å; D162-K166 VanDerWaalsContact O-N 3.09Å; D163-K166 WeakPolarHBondContact O-CB 3.43Å; D163-K166 WeakPolarHBondContact OD1-CE 3.49Å; D163-K166 IonicContact OD1-NZ 3.8Å; D163-K166 PolarHBondContact OD1-NZ 3.14Å; H164-K166 PolarHBondContact O-N 2.84Å; K166-P170 WeakPolarHBondContact O-CG 3.21Å
167H86.2Confident90.7Very high128 Ų12854.7 Ų54.759%0.59326%0.26SS*.Hα-helixtrans-103.6-42.9180-6186.6000111.4D163 H164 L165 I171D163-H167 PolarHBondContact O-ND1 3.37Å; D163-H167 VanDerWaalsContact O-ND1 3.09Å; H164-H167 PolarHBondContact O-N 2.96Å; H164-H167 VanDerWaalsContact O-N 3.15Å; L165-H167 PolarHBondContact O-N 2.83Å; L165-H167 VanDerWaalsContact O-N 3.1Å; H167-I171 VanDerWaalsContact O-CD1 3.27Å; H167-I171 WeakPolarHBondContact O-CD1 3.45Å; H167-I171 WeakPolarHBondContact O-CG1 2.79Å
168V90.4Very high90.7Very high7 Ų751.3 Ų51.34%0.04225%0.245CC..Hα-helixtrans-67.9-52.2-174.2177.80000112.7H164 L165 I171 I172 L232H164-V168 PolarHBondContact O-N 2.72Å; L165-V168 PolarHBondContact O-N 3.27Å; V168-I171 WeakPolarHBondContact O-CB 3.41Å; V168-I171 PolarHBondContact O-N 3.18Å; V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 HydrophobicContact CG1-CG1 4.45Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 3.32Å; V168-I172 VanDerWaalsContact O-N 3.11Å; V168-L232 HydrophobicContact CG2-CD2 3.84Å
169Y92.4Very high90.6Very high19 Ų1948 Ų488%0.07523%0.229CC..Hα-helixtrans-64.7-42.6-173.8-69.8-14.4000113.9M155 E158 A159 L165 I171 I172 W173M155-Y169 HydrophobicContact CB-CD2 3.65Å; M155-Y169 HydrophobicContact CB-CE2 4.15Å; M155-Y169 HydrophobicContact CB-CG 4.19Å; M155-Y169 HydrophobicContact CG-CD2 3.88Å; M155-Y169 HydrophobicContact CG-CE2 4.01Å; M155-Y169 HydrophobicContact CG-CG 4.29Å; M155-Y169 WeakPolarHBondContact O-CD2 3.45Å; M155-Y169 HydrophobicContact SD-CD1 4.48Å; M155-Y169 HydrophobicContact SD-CD2 4.48Å; M155-Y169 HydrophobicContact SD-CG 4.29Å; E158-Y169 HydrophobicContact CB-CE2 3.91Å; E158-Y169 WeakPolarHBondContact OE2-CE2 3.26Å; E158-Y169 PolarHBondContact OE2-OH 2.89Å; A159-Y169 HydrophobicContact CB-CD2 4.27Å; L165-Y169 HydrophobicContact CB-CD2 4.12Å; L165-Y169 HydrophobicContact CB-CE2 4.13Å; L165-Y169 HydrophobicContact CD1-CE2 3.75Å; L165-Y169 HydrophobicContact CD2-CD1 4.32Å; L165-Y169 HydrophobicContact CD2-CE1 3.8Å; L165-Y169 HydrophobicContact CD2-CE2 4.12Å; L165-Y169 HydrophobicContact CG-CE2 4.21Å; L165-Y169 PolarHBondContact O-N 3.49Å; Y169-I171 VanDerWaalsContact C-N 3.28Å; Y169-I171 PolarHBondContact O-N 3.12Å; Y169-I172 PolarHBondContact O-N 2.98Å; Y169-W173 WeakPolarHBondContact O-CB 3.29Å; Y169-W173 PolarHBondContact O-N 3.48Å
170P92.1Very high90.2Very high3 Ų353 Ų532%0.01926%0.256CS..Hα-helixtrans-63.7-33.1176.1-23.835.4000113.9L134 L135 M138 K166 K174L134-P170 HydrophobicContact CB-CB 3.36Å; L135-P170 HydrophobicContact CB-CB 4.44Å; L135-P170 HydrophobicContact CB-CG 3.71Å; L135-P170 HydrophobicContact CD1-CG 3.89Å; L135-P170 HydrophobicContact CG-CG 4.35Å; M138-P170 VanDerWaalsContact SD-CA 3.56Å; M138-P170 HydrophobicContact SD-CB 3.76Å; M138-P170 HydrophobicContact SD-CG 3.93Å; K166-P170 WeakPolarHBondContact O-CG 3.21Å; P170-K174 WeakPolarHBondContact O-CB 3.33Å; P170-K174 PolarHBondContact O-N 3.43Å
171I91.4Very high89.8Confident12 Ų1255 Ų556%0.06226%0.263CS..Hα-helixtrans-64.8-47.1175.6-73.9172000110.6L134 H167 V168 Y169 K174 Y175 W226 L230 L232L134-I171 HydrophobicContact CD1-CG1 4.21Å; H167-I171 VanDerWaalsContact O-CD1 3.27Å; H167-I171 WeakPolarHBondContact O-CD1 3.45Å; H167-I171 WeakPolarHBondContact O-CG1 2.79Å; V168-I171 WeakPolarHBondContact O-CB 3.41Å; V168-I171 PolarHBondContact O-N 3.18Å; Y169-I171 VanDerWaalsContact C-N 3.28Å; Y169-I171 PolarHBondContact O-N 3.12Å; I171-K174 PolarHBondContact O-N 2.8Å; I171-Y175 PolarHBondContact O-N 3.3Å; I171-Y175 VanDerWaalsContact O-N 3.1Å; I171-W226 PolarHBondContact O-NE1 3.38Å; I171-W226 VanDerWaalsContact O-NE1 3.12Å; I171-L230 HydrophobicContact CB-CD1 4.43Å; I171-L230 HydrophobicContact CD1-CB 3.75Å; I171-L230 HydrophobicContact CD1-CD1 4.42Å; I171-L230 HydrophobicContact CG1-CB 4.16Å; I171-L230 HydrophobicContact CG1-CD1 3.9Å; I171-L230 HydrophobicContact CG2-CD1 4.03Å; I171-L232 HydrophobicContact CB-CD1 4.3Å; I171-L232 HydrophobicContact CD1-CD1 4.03Å; I171-L232 HydrophobicContact CD1-CD2 3.77Å; I171-L232 HydrophobicContact CD1-CG 3.7Å; I171-L232 HydrophobicContact CG2-CD1 3.78Å; I171-L232 HydrophobicContact CG2-CG 4.49Å
172I92.3Very high89.5Confident35 Ų3550.6 Ų50.618%0.17926%0.258CS..Hα-helixtrans-64.9-48.7177.5-64.7171.8000110.5W152 V168 Y169 K174 Y175 C176W152-I172 HydrophobicContact CH2-CG2 4.32Å; V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 HydrophobicContact CG1-CG1 4.45Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 3.32Å; V168-I172 VanDerWaalsContact O-N 3.11Å; Y169-I172 PolarHBondContact O-N 2.98Å; I172-K174 VanDerWaalsContact C-N 3.29Å; I172-K174 PolarHBondContact O-N 2.73Å; I172-Y175 WeakPolarHBondContact O-CB 3.43Å; I172-Y175 PolarHBondContact O-N 3.47Å; I172-C176 PolarHBondContact O-N 2.87Å; I172-C176 PolarHBondContact O-SG 3.44Å; I172-C176 VanDerWaalsContact O-SG 3.39Å
173W92.6Very high89.2Confident10 Ų1053.3 Ų53.34%0.03827%0.268CS..Hα-helixtrans-52.6-50.4176.3164.268.6000111L134 V137 M138 L141 L147 W152 Y169 Y175 C176 D177L134-W173 HydrophobicContact CD2-CZ3 4.28Å; V137-W173 HydrophobicContact CG1-CH2 3.94Å; V137-W173 HydrophobicContact CG1-CZ3 4.32Å; M138-W173 HydrophobicContact CE-CB 3.74Å; M138-W173 HydrophobicContact CE-CD2 3.96Å; M138-W173 HydrophobicContact CE-CE3 4.46Å; M138-W173 HydrophobicContact CE-CG 3.59Å; M138-W173 HydrophobicContact CG-CD2 3.49Å; M138-W173 VanDerWaalsContact CG-CD2 3.49Å; M138-W173 HydrophobicContact CG-CE3 3.22Å; M138-W173 HydrophobicContact CG-CG 4.16Å; M138-W173 HydrophobicContact CG-CH2 4.02Å; M138-W173 HydrophobicContact CG-CZ2 4.26Å; M138-W173 HydrophobicContact CG-CZ3 3.5Å; M138-W173 VanDerWaalsContact CG-CZ3 3.5Å; M138-W173 HydrophobicContact SD-CB 3.93Å; M138-W173 HydrophobicContact SD-CD2 3.79Å; M138-W173 HydrophobicContact SD-CE3 3.68Å; M138-W173 HydrophobicContact SD-CG 3.89Å; M138-W173 HydrophobicContact SD-CZ3 4.5Å; L141-W173 HydrophobicContact CD1-CH2 3.52Å; L141-W173 HydrophobicContact CD1-CZ2 3.41Å; L141-W173 VanDerWaalsContact CD1-CZ2 3.41Å; L147-W173 HydrophobicContact CD1-CZ2 4.06Å; W152-W173 HydrophobicContact CD2-CB 4.24Å; W152-W173 AromaticContact CD2-CD1 3.51Å; W152-W173 HydrophobicContact CD2-CG 4.23Å; W152-W173 AromaticContact CE2-CD1 3.73Å; W152-W173 HydrophobicContact CE3-CB 3.66Å; W152-W173 AromaticContact CE3-CD1 3.84Å; W152-W173 HydrophobicContact CE3-CG 4.11Å; W152-W173 AromaticContact CG-CD1 3.77Å; W152-W173 HydrophobicContact CH2-CB 4.14Å; W152-W173 VanDerWaalsContact CZ3-CA 3.5Å; W152-W173 HydrophobicContact CZ3-CB 3.6Å; W152-W173 HydrophobicContact CZ3-CG 4.42Å; Y169-W173 WeakPolarHBondContact O-CB 3.29Å; Y169-W173 PolarHBondContact O-N 3.48Å; W173-Y175 VanDerWaalsContact C-N 3.27Å; W173-Y175 PolarHBondContact O-N 2.73Å; W173-C176 PolarHBondContact O-N 3.35Å; W173-D177 WeakPolarHBondContact O-CB 3.39Å; W173-D177 PolarHBondContact O-N 3.13Å
174K91.4Very high89.5Confident23 Ų2351 Ų5110%0.126%0.256CS..Hα-helixtrans-65.2-35.5-176.3-174.561.6-164.3160.50112L134 P170 I171 I172 D177 L178 W226L134-K174 HydrophobicContact CD1-CB 3.86Å; L134-K174 HydrophobicContact CD1-CG 4.33Å; L134-K174 HydrophobicContact CD2-CB 3.85Å; L134-K174 HydrophobicContact CD2-CD 4.08Å; L134-K174 HydrophobicContact CD2-CG 3.74Å; L134-K174 HydrophobicContact CG-CB 4.45Å; P170-K174 WeakPolarHBondContact O-CB 3.33Å; P170-K174 PolarHBondContact O-N 3.43Å; I171-K174 PolarHBondContact O-N 2.8Å; I172-K174 VanDerWaalsContact C-N 3.29Å; I172-K174 PolarHBondContact O-N 2.73Å; K174-D177 IonicContact NZ-OD2 3.91Å; K174-D177 PolarHBondContact NZ-OD2 3.18Å; K174-D177 PolarHBondContact O-N 2.86Å; K174-L178 HydrophobicContact CD-CD1 4.49Å; K174-L178 HydrophobicContact CD-CG 4.47Å; K174-L178 HydrophobicContact CG-CD1 4.14Å; K174-L178 WeakPolarHBondContact O-CD1 3.24Å; K174-L178 WeakPolarHBondContact O-CG 3.36Å; K174-L178 PolarHBondContact O-N 2.05Å; K174-L178 VanDerWaalsContact O-N 3.14Å; K174-W226 HydrophobicContact CB-CZ2 4.46Å; K174-W226 HydrophobicContact CG-CZ2 4Å
175Y92.6Very high89.7Confident7 Ų754 Ų543%0.02727%0.268CS..Hα-helixtrans-61.5-51.6173.6-173.6-90.2000111.7I171 I172 W173 D177 L178 D179 K185 H186 V187 I221 L223 W226I171-Y175 PolarHBondContact O-N 3.3Å; I171-Y175 VanDerWaalsContact O-N 3.1Å; I172-Y175 WeakPolarHBondContact O-CB 3.43Å; I172-Y175 PolarHBondContact O-N 3.47Å; W173-Y175 VanDerWaalsContact C-N 3.27Å; W173-Y175 PolarHBondContact O-N 2.73Å; Y175-D177 VanDerWaalsContact C-N 3.27Å; Y175-D177 PolarHBondContact O-N 3.02Å; Y175-L178 PolarHBondContact O-N 3.41Å; Y175-L178 VanDerWaalsContact O-N 3.11Å; Y175-D179 HydrophobicContact CE1-CB 4.42Å; Y175-D179 PolarHBondContact O-N 3.1Å; Y175-K185 PolarHBondContact OH-O 3.46Å; Y175-H186 VanDerWaalsContact OH-CA 3.22Å; Y175-H186 WeakPolarHBondContact OH-CA 3.25Å; Y175-H186 PolarHBondContact OH-N 3.09Å; Y175-V187 HydrophobicContact CD2-CG2 3.7Å; Y175-V187 HydrophobicContact CE1-CG2 4.47Å; Y175-V187 HydrophobicContact CE2-CB 4.24Å; Y175-V187 HydrophobicContact CE2-CG2 3.53Å; Y175-V187 HydrophobicContact CG-CG2 4.25Å; Y175-I221 WeakPolarHBondContact CE2-O 3.21Å; Y175-I221 PolarHBondContact OH-O 2.85Å; Y175-L223 VanDerWaalsContact CB-CD1 3.44Å; Y175-L223 HydrophobicContact CD1-CB 4.19Å; Y175-L223 HydrophobicContact CD1-CD1 3.34Å; Y175-L223 HydrophobicContact CD1-CG 4.26Å; Y175-L223 HydrophobicContact CD2-CB 4.41Å; Y175-L223 HydrophobicContact CD2-CD1 3.74Å; Y175-L223 HydrophobicContact CE1-CB 3.84Å; Y175-L223 HydrophobicContact CE1-CD1 3.94Å; Y175-L223 HydrophobicContact CE1-CG 4.41Å; Y175-L223 HydrophobicContact CE2-CB 4.1Å; Y175-L223 HydrophobicContact CE2-CD1 4.29Å; Y175-L223 HydrophobicContact CG-CB 4.43Å; Y175-L223 HydrophobicContact CG-CD1 3.2Å; Y175-L223 HydrophobicContact CG-CG 4.36Å; Y175-L223 VanDerWaalsContact CZ-N 3.33Å; Y175-L223 PolarHBondContact OH-N 3.46Å; Y175-W226 HydrophobicContact CD2-CB 3.73Å; Y175-W226 AromaticContact CD2-CD1 3.72Å; Y175-W226 HydrophobicContact CD2-CD2 4.09Å; Y175-W226 AromaticContact CD2-CG 3.59Å; Y175-W226 HydrophobicContact CD2-CG 3.59Å; Y175-W226 HydrophobicContact CE2-CB 4.01Å; Y175-W226 HydrophobicContact CE2-CG 4.32Å; Y175-W226 HydrophobicContact CG-CG 4.5Å
176C92.2Very high89.9Confident48 Ų4855.2 Ų55.232%0.32427%0.273SS..Hα-helixtrans-64.4-30.8179.6-64.10000113.1W152 I172 W173W152-C176 HydrophobicContact CH2-CB 4.16Å; W152-C176 HydrophobicContact CZ2-CB 3.95Å; I172-C176 PolarHBondContact O-N 2.87Å; I172-C176 PolarHBondContact O-SG 3.44Å; I172-C176 VanDerWaalsContact O-SG 3.39Å; W173-C176 PolarHBondContact O-N 3.35Å
177D90.5Very high90Very high75 Ų7552.3 Ų52.340%0.40126%0.26SS..Hα-helixtrans-67-35.8173.9177.569.2000112W173 K174 Y175W173-D177 WeakPolarHBondContact O-CB 3.39Å; W173-D177 PolarHBondContact O-N 3.13Å; K174-D177 IonicContact NZ-OD2 3.91Å; K174-D177 PolarHBondContact NZ-OD2 3.18Å; K174-D177 PolarHBondContact O-N 2.86Å; Y175-D177 VanDerWaalsContact C-N 3.27Å; Y175-D177 PolarHBondContact O-N 3.02Å
178L90.8Very high90.2Very high10 Ų1048 Ų485%0.05224%0.244CC..Hα-helixtrans-78.7-41.7178.3-68.5167.8000112.6K174 Y175 N180 V187 E191 L192 L195 W226K174-L178 HydrophobicContact CD-CD1 4.49Å; K174-L178 HydrophobicContact CD-CG 4.47Å; K174-L178 HydrophobicContact CG-CD1 4.14Å; K174-L178 WeakPolarHBondContact O-CD1 3.24Å; K174-L178 WeakPolarHBondContact O-CG 3.36Å; K174-L178 PolarHBondContact O-N 2.05Å; K174-L178 VanDerWaalsContact O-N 3.14Å; Y175-L178 PolarHBondContact O-N 3.41Å; Y175-L178 VanDerWaalsContact O-N 3.11Å; L178-N180 PolarHBondContact O-N 3.24Å; L178-V187 HydrophobicContact CB-CG1 4.1Å; L178-V187 HydrophobicContact CB-CG2 3.89Å; L178-V187 HydrophobicContact CD1-CG1 4.34Å; L178-E191 WeakPolarHBondContact CD2-O 3.31Å; L178-L192 HydrophobicContact CD1-CD2 4.11Å; L178-L195 HydrophobicContact CD1-CD2 4.44Å; L178-L195 HydrophobicContact CD2-CB 4.25Å; L178-W226 HydrophobicContact CD1-CH2 3.76Å; L178-W226 HydrophobicContact CD1-CZ2 4.06Å; L178-W226 HydrophobicContact CD1-CZ3 4.39Å
179D91.2Very high89.9Confident3 Ų349.7 Ų49.72%0.01625%0.252CS..  trans-73.573.8176.617918000110.4Y175 P182 H183 D184 K185 V187Y175-D179 HydrophobicContact CE1-CB 4.42Å; Y175-D179 PolarHBondContact O-N 3.1Å; D179-P182 VanDerWaalsContact OD1-O 3.12Å; D179-H183 PolarHBondContact O-ND1 3.45Å; D179-H183 VanDerWaalsContact OD1-CA 3.24Å; D179-H183 WeakPolarHBondContact OD1-CA 3.02Å; D179-H183 IonicContact OD1-ND1 3.55Å; D179-H183 IonicContact OD2-CE1 3.41Å; D179-H183 PolarHBondContact OD2-CE1 3.49Å; D179-H183 IonicContact OD2-ND1 2.79Å; D179-H183 PolarHBondContact OD2-ND1 2.8Å; D179-D184 PolarHBondContact OD1-N 3.47Å; D179-K185 WeakPolarHBondContact OD2-CA 3.43Å; D179-K185 PolarHBondContact OD2-N 3.12Å; D179-V187 HydrophobicContact CB-CG2 4.28Å
180N82.8Confident89.5Confident105 Ų10551.3 Ų51.356%0.56126%0.26SS*.  trans-106.1-47.1-170.9-167.4-19.3000112L178L178-N180 PolarHBondContact O-N 3.24Å
181K81Confident89.4Confident136 Ų13651.8 Ų51.859%0.59126%0.262SS*.SBendtrans-151.9108.8-173.4-69.5-171.6-176.1178.60113.1K13K13-K181 PolarHBondContact NZ-O 2.98Å
182P85.3Confident89.2Confident88 Ų8851.4 Ų51.457%0.57126%0.26SS*.SBendcis-69151.2-6.731.3-35000111.6D179 D184D179-P182 VanDerWaalsContact OD1-O 3.12Å; P182-D184 VanDerWaalsContact C-N 3.27Å; P182-D184 HydrophobicContact CB-CB 4.29Å; P182-D184 HydrophobicContact CG-CB 4.08Å; P182-D184 PolarHBondContact O-N 3.25Å
183H85Confident88.9Confident129 Ų12949.8 Ų49.860%0.59725%0.251SS*.  trans-77.582.5169.5-169.767.4000108.7D179D179-H183 PolarHBondContact O-ND1 3.45Å; D179-H183 VanDerWaalsContact OD1-CA 3.24Å; D179-H183 WeakPolarHBondContact OD1-CA 3.02Å; D179-H183 IonicContact OD1-ND1 3.55Å; D179-H183 IonicContact OD2-CE1 3.41Å; D179-H183 PolarHBondContact OD2-CE1 3.49Å; D179-H183 IonicContact OD2-ND1 2.79Å; D179-H183 PolarHBondContact OD2-ND1 2.8Å
184D91.7Very high88.5Confident65 Ų6551.2 Ų51.235%0.34826%0.262SS..SBendtrans-115.312.5-167.877.2-1000113.9D179 P182 H186D179-D184 PolarHBondContact OD1-N 3.47Å; P182-D184 VanDerWaalsContact C-N 3.27Å; P182-D184 HydrophobicContact CB-CB 4.29Å; P182-D184 HydrophobicContact CG-CB 4.08Å; P182-D184 PolarHBondContact O-N 3.25Å; D184-H186 PolarHBondContact O-CE1 3.19Å; D184-H186 PolarHBondContact O-N 3.42Å; D184-H186 PolarHBondContact O-ND1 3.37Å; D184-H186 WeakPolarHBondContact OD1-CB 3.08Å; D184-H186 PolarHBondContact OD1-N 3.1Å; D184-H186 VanDerWaalsContact OD1-N 3.14Å; D184-H186 IonicContact OD1-ND1 2.86Å
185K92.3Very high88.1Confident143 Ų14351.8 Ų51.862%0.62227%0.266SS*.SBendtrans63.127.1-179.4-53-175175.8-167.70113.2Y175 D179Y175-K185 PolarHBondContact OH-O 3.46Å; D179-K185 WeakPolarHBondContact OD2-CA 3.43Å; D179-K185 PolarHBondContact OD2-N 3.12Å
186H93.2Very high87.7Confident52 Ų5251.5 Ų51.524%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-136.6149.4171.6-57.980.8000108.7Y175 D184 K220Y175-H186 VanDerWaalsContact OH-CA 3.22Å; Y175-H186 WeakPolarHBondContact OH-CA 3.25Å; Y175-H186 PolarHBondContact OH-N 3.09Å; D184-H186 PolarHBondContact O-CE1 3.19Å; D184-H186 PolarHBondContact O-N 3.42Å; D184-H186 PolarHBondContact O-ND1 3.37Å; D184-H186 WeakPolarHBondContact OD1-CB 3.08Å; D184-H186 PolarHBondContact OD1-N 3.1Å; D184-H186 VanDerWaalsContact OD1-N 3.14Å; D184-H186 IonicContact OD1-ND1 2.86Å; H186-K220 HydrophobicContact CB-CB 4.01Å; H186-K220 HydrophobicContact CB-CD 4.25Å; H186-K220 HydrophobicContact CB-CG 4.4Å
187V92.7Very high87.4Confident0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-106.7113.4169.3173.80000107.8Y175 L178 D179 E191 L192 I221Y175-V187 HydrophobicContact CD2-CG2 3.7Å; Y175-V187 HydrophobicContact CE1-CG2 4.47Å; Y175-V187 HydrophobicContact CE2-CB 4.24Å; Y175-V187 HydrophobicContact CE2-CG2 3.53Å; Y175-V187 HydrophobicContact CG-CG2 4.25Å; L178-V187 HydrophobicContact CB-CG1 4.1Å; L178-V187 HydrophobicContact CB-CG2 3.89Å; L178-V187 HydrophobicContact CD1-CG1 4.34Å; D179-V187 HydrophobicContact CB-CG2 4.28Å; V187-E191 HydrophobicContact CG1-CB 4.21Å; V187-L192 HydrophobicContact CG1-CD2 3.57Å; V187-L192 HydrophobicContact CG1-CG 3.88Å; V187-I221 HydrophobicContact CB-CB 4.41Å; V187-I221 PolarHBondContact N-O 2.86Å; V187-I221 PolarHBondContact O-N 2.94Å
188S89.9Confident87Confident37 Ų3749.5 Ų49.526%0.25926%0.256SS..EExtended strand (participates in β ladder)trans-79.1160.6175.565.40000112H190 E191 L192S188-H190 PolarHBondContact O-N 3.21Å; S188-H190 VanDerWaalsContact O-N 3.17Å; S188-E191 WeakPolarHBondContact CB-OE2 3.2Å; S188-E191 PolarHBondContact N-OE2 2.89Å; S188-E191 PolarHBondContact O-N 3.43Å; S188-E191 WeakPolarHBondContact OG-CG 3.06Å; S188-E191 PolarHBondContact OG-N 3.14Å; S188-E191 PolarHBondContact OG-OE2 3.49Å; S188-L192 PolarHBondContact O-N 2.82Å
189H85Confident86.6Confident44 Ų4451.3 Ų51.320%0.20427%0.268CS..THydrogen-bonded Turntrans-56.4-33.1173.3-174.1-96.3000112.6Q112 L192 I193 E207 R211Q112-H189 PolarHBondContact OE1-CE1 3.08Å; H189-L192 WeakPolarHBondContact O-CB 3.35Å; H189-L192 PolarHBondContact O-N 3.07Å; H189-I193 WeakPolarHBondContact O-CG1 3.18Å; H189-E207 IonicContact NE2-OE1 2.75Å; H189-E207 PolarHBondContact NE2-OE1 2.78Å; H189-R211 PolarHBondContact NE2-NH2 3.18Å
190H84.4Confident86.2Confident52 Ų5251.6 Ų51.624%0.24127%0.269CS..THydrogen-bonded Turntrans-66.5-36.1176.7-17771.2000112.9H9 K13 S188 L192 I193H9-H190 AromaticContact CG-CE1 3.62Å; H9-H190 AromaticContact ND1-CE1 3.43Å; H9-H190 PolarHBondContact ND1-CE1 3.4Å; H9-H190 AromaticContact ND1-ND1 3.92Å; K13-H190 VanDerWaalsContact CE-CD2 3.45Å; K13-H190 WeakPolarHBondContact CE-CD2 2.86Å; K13-H190 VanDerWaalsContact CE-NE2 3.25Å; K13-H190 WeakPolarHBondContact CE-NE2 3.37Å; S188-H190 PolarHBondContact O-N 3.21Å; S188-H190 VanDerWaalsContact O-N 3.17Å; H190-L192 VanDerWaalsContact C-N 3.27Å; H190-L192 PolarHBondContact O-N 3.35Å; H190-I193 WeakPolarHBondContact O-CG1 3.4Å; H190-I193 PolarHBondContact O-N 2.85Å
191E89.2Confident86Confident13 Ų1349 Ų496%0.06126%0.258CS..THydrogen-bonded Turntrans-74.1-19.4176.7-73.9163.5139.500112.9L178 V187 S188 I193 P194L178-E191 WeakPolarHBondContact CD2-O 3.31Å; V187-E191 HydrophobicContact CG1-CB 4.21Å; S188-E191 WeakPolarHBondContact CB-OE2 3.2Å; S188-E191 PolarHBondContact N-OE2 2.89Å; S188-E191 PolarHBondContact O-N 3.43Å; S188-E191 WeakPolarHBondContact OG-CG 3.06Å; S188-E191 PolarHBondContact OG-N 3.14Å; S188-E191 PolarHBondContact OG-OE2 3.49Å; E191-I193 VanDerWaalsContact C-N 3.32Å; E191-P194 WeakPolarHBondContact O-CD 3.01Å
192L88Confident85.9Confident5 Ų549.5 Ų49.53%0.02627%0.266CS..THydrogen-bonded Turntrans-76.3-17.6170.7-62.9175.6000113.3L178 V187 S188 H189 H190 L195 T196 L210 I221 W226L178-L192 HydrophobicContact CD1-CD2 4.11Å; V187-L192 HydrophobicContact CG1-CD2 3.57Å; V187-L192 HydrophobicContact CG1-CG 3.88Å; S188-L192 PolarHBondContact O-N 2.82Å; H189-L192 WeakPolarHBondContact O-CB 3.35Å; H189-L192 PolarHBondContact O-N 3.07Å; H190-L192 VanDerWaalsContact C-N 3.27Å; H190-L192 PolarHBondContact O-N 3.35Å; L192-L195 WeakPolarHBondContact O-CB 3.46Å; L192-L195 PolarHBondContact O-N 2.9Å; L192-L195 VanDerWaalsContact O-N 3.17Å; L192-T196 HydrophobicContact CB-CG2 4.33Å; L192-T196 WeakPolarHBondContact O-CB 3.46Å; L192-T196 WeakPolarHBondContact O-CG2 3.04Å; L192-T196 PolarHBondContact O-N 3.5Å; L192-T196 PolarHBondContact O-OG1 2.89Å; L192-L210 HydrophobicContact CD1-CB 3.94Å; L192-L210 HydrophobicContact CD1-CD1 4.34Å; L192-L210 HydrophobicContact CD2-CD1 4.34Å; L192-L210 HydrophobicContact CD2-CD2 4.5Å; L192-I221 HydrophobicContact CD1-CD1 3.93Å; L192-W226 HydrophobicContact CD2-CZ3 4.13Å
193I85.6Confident85.6Confident0 Ų048.1 Ų48.10%025%0.252CS..Hα-helixtrans-63.8-44.2-173.2-51169.9000112.8V5 H9 H110 H189 H190 E191 L195 T196 A197V5-I193 HydrophobicContact CG1-CG2 3.75Å; H9-I193 VanDerWaalsContact CE1-CD1 3.44Å; H9-I193 WeakPolarHBondContact CE1-CD1 3.39Å; H9-I193 WeakPolarHBondContact NE2-CG2 3.43Å; H110-I193 VanDerWaalsContact CD2-CD1 3.45Å; H110-I193 WeakPolarHBondContact CD2-CD1 3.21Å; H110-I193 VanDerWaalsContact NE2-CD1 3.34Å; H110-I193 WeakPolarHBondContact NE2-CD1 3.24Å; H189-I193 WeakPolarHBondContact O-CG1 3.18Å; H190-I193 WeakPolarHBondContact O-CG1 3.4Å; H190-I193 PolarHBondContact O-N 2.85Å; E191-I193 VanDerWaalsContact C-N 3.32Å; I193-L195 PolarHBondContact O-N 3.25Å; I193-L195 VanDerWaalsContact O-N 3.17Å; I193-T196 WeakPolarHBondContact CA-OG1 3.47Å; I193-T196 PolarHBondContact O-N 3.17Å; I193-T196 VanDerWaalsContact O-N 3.14Å; I193-A197 HydrophobicContact CG2-CB 3.88Å; I193-A197 VanDerWaalsContact O-CB 3.25Å; I193-A197 WeakPolarHBondContact O-CB 3.47Å; I193-A197 PolarHBondContact O-N 2.97Å
194P83.9Confident85.3Confident41 Ų4143.1 Ų43.127%0.26623%0.232SC..Hα-helixtrans-53.3-35.8174-28.937000113.9E6 E191 P198E6-P194 HydrophobicContact CG-CB 3.8Å; E6-P194 HydrophobicContact CG-CG 3.92Å; E6-P194 WeakPolarHBondContact OE1-CB 3.22Å; E191-P194 WeakPolarHBondContact O-CD 3.01Å; P194-P198 WeakPolarHBondContact O-CD 3.24Å
195L82.5Confident84.8Confident34 Ų3440.4 Ų40.418%0.17822%0.218CC..Hα-helixtrans-76.5-44.6176.4179.165.3000112.2L178 L192 I193 V199L178-L195 HydrophobicContact CD1-CD2 4.44Å; L178-L195 HydrophobicContact CD2-CB 4.25Å; L192-L195 WeakPolarHBondContact O-CB 3.46Å; L192-L195 PolarHBondContact O-N 2.9Å; L192-L195 VanDerWaalsContact O-N 3.17Å; I193-L195 PolarHBondContact O-N 3.25Å; I193-L195 VanDerWaalsContact O-N 3.17Å; L195-V199 WeakPolarHBondContact O-CG2 3.4Å
196T85.3Confident84.2Confident2 Ų234.3 Ų34.31%0.01219%0.192CC..Hα-helixtrans-86.7-35.8-167.756.50000113.1Q112 L192 I193 V199 I200 I206 L210Q112-T196 PolarHBondContact NE2-OG1 3.42Å; L192-T196 HydrophobicContact CB-CG2 4.33Å; L192-T196 WeakPolarHBondContact O-CB 3.46Å; L192-T196 WeakPolarHBondContact O-CG2 3.04Å; L192-T196 PolarHBondContact O-N 3.5Å; L192-T196 PolarHBondContact O-OG1 2.89Å; I193-T196 WeakPolarHBondContact CA-OG1 3.47Å; I193-T196 PolarHBondContact O-N 3.17Å; I193-T196 VanDerWaalsContact O-N 3.14Å; T196-V199 PolarHBondContact O-N 3.33Å; T196-I200 WeakPolarHBondContact O-CB 3.05Å; T196-I200 WeakPolarHBondContact O-CG1 3.32Å; T196-I200 PolarHBondContact O-N 3.33Å; T196-I206 HydrophobicContact CG2-CG2 4.45Å; T196-L210 HydrophobicContact CG2-CD1 3.22Å
197A85Confident83.6Confident4 Ų433.2 Ų33.23%0.03319%0.187CC..THydrogen-bonded Turntrans-58.8-40.8-174.100000114.6V5 Q112 I193 V199 P201V5-A197 HydrophobicContact CB-CB 4.1Å; V5-A197 HydrophobicContact CG1-CB 3.61Å; V5-A197 HydrophobicContact CG2-CB 3.86Å; Q112-A197 WeakPolarHBondContact O-CB 3.03Å; I193-A197 HydrophobicContact CG2-CB 3.88Å; I193-A197 VanDerWaalsContact O-CB 3.25Å; I193-A197 WeakPolarHBondContact O-CB 3.47Å; I193-A197 PolarHBondContact O-N 2.97Å; A197-V199 VanDerWaalsContact C-N 3.28Å; A197-V199 PolarHBondContact O-N 3.12Å; A197-P201 VanDerWaalsContact O-CD 3.3Å; A197-P201 WeakPolarHBondContact O-CD 3.26Å
198P83.3Confident83.1Confident76 Ų7634.3 Ų34.349%0.49419%0.194SC..THydrogen-bonded Turntrans-70.4-24.5174.9-18.233.2000113.3P194P194-P198 WeakPolarHBondContact O-CD 3.24Å
199V82.2Confident82.9Confident49 Ų4933.2 Ų33.230%0.29718%0.184SC..THydrogen-bonded Turntrans-99.5-37.9-167.9178.80000112.4L195 T196 A197 P201 L202 E203 I206L195-V199 WeakPolarHBondContact O-CG2 3.4Å; T196-V199 PolarHBondContact O-N 3.33Å; A197-V199 VanDerWaalsContact C-N 3.28Å; A197-V199 PolarHBondContact O-N 3.12Å; V199-P201 VanDerWaalsContact C-N 3.32Å; V199-L202 PolarHBondContact O-N 3.31Å; V199-E203 HydrophobicContact CG1-CB 3.92Å; V199-E203 HydrophobicContact CG1-CG 4.19Å; V199-E203 PolarHBondContact O-N 3.29Å; V199-I206 HydrophobicContact CB-CD1 4.48Å; V199-I206 HydrophobicContact CG1-CD1 3.91Å; V199-I206 HydrophobicContact CG1-CG2 4.43Å
200I82.1Confident83Confident8 Ų831.2 Ų31.24%0.04118%0.175CC..THydrogen-bonded Turntrans-50.6-41.2-178.8-72.6161.9000113.5Q112 Y113 T196 L202 E203 S204 I206 E207Q112-I200 HydrophobicContact CG-CD1 4.03Å; Y113-I200 HydrophobicContact CD1-CB 4.09Å; Y113-I200 HydrophobicContact CD1-CD1 4.11Å; Y113-I200 HydrophobicContact CD1-CG2 3.83Å; Y113-I200 HydrophobicContact CE1-CB 4.08Å; Y113-I200 HydrophobicContact CE1-CD1 4.31Å; Y113-I200 HydrophobicContact CE1-CG2 3.29Å; T196-I200 WeakPolarHBondContact O-CB 3.05Å; T196-I200 WeakPolarHBondContact O-CG1 3.32Å; T196-I200 PolarHBondContact O-N 3.33Å; I200-L202 PolarHBondContact O-N 3.41Å; I200-L202 VanDerWaalsContact O-N 3.12Å; I200-E203 CarbonylContact O-C 3.57Å; I200-E203 PolarHBondContact O-N 3.15Å; I200-S204 VanDerWaalsContact O-CA 3.3Å; I200-S204 WeakPolarHBondContact O-CA 3.36Å; I200-S204 PolarHBondContact O-N 2.03Å; I200-S204 VanDerWaalsContact O-N 3.08Å; I200-I206 HydrophobicContact CG1-CG2 3.65Å; I200-E207 HydrophobicContact CD1-CB 3.93Å; I200-E207 HydrophobicContact CD1-CG 4.22Å; I200-E207 HydrophobicContact CG1-CB 4.08Å
201P77.7Confident83Confident52 Ų5234.5 Ų34.534%0.33819%0.185SC..THydrogen-bonded Turntrans-58.1-26.1178.6-27.636.8000114.2Y113 A197 V199Y113-P201 HydrophobicContact CD2-CG 4.07Å; Y113-P201 HydrophobicContact CE2-CG 4.47Å; Y113-P201 HydrophobicContact CG-CG 4.4Å; A197-P201 VanDerWaalsContact O-CD 3.3Å; A197-P201 WeakPolarHBondContact O-CD 3.26Å; V199-P201 VanDerWaalsContact C-N 3.32Å
202L79.1Confident83Confident145 Ų14536.8 Ų36.876%0.75920%0.203SC*.THydrogen-bonded Turntrans-98.4-43.5178.4-57.4176.1000111.2V199 I200V199-L202 PolarHBondContact O-N 3.31Å; I200-L202 PolarHBondContact O-N 3.41Å; I200-L202 VanDerWaalsContact O-N 3.12Å
203E80.7Confident83.1Confident60 Ų6036.6 Ų36.628%0.2820%0.202SC..  trans-120.968.1-173.9-60.8-65.1170.600109.8Q131 V199 I200 C205 I206Q131-E203 PolarHBondContact NE2-OE1 3.36Å; Q131-E203 PolarHBondContact OE1-OE1 2.88Å; V199-E203 HydrophobicContact CG1-CB 3.92Å; V199-E203 HydrophobicContact CG1-CG 4.19Å; V199-E203 PolarHBondContact O-N 3.29Å; I200-E203 CarbonylContact O-C 3.57Å; I200-E203 PolarHBondContact O-N 3.15Å; E203-C205 PolarHBondContact O-N 3.45Å; E203-I206 VanDerWaalsContact O-CG2 3.22Å; E203-I206 WeakPolarHBondContact O-CG2 3.01Å; E203-I206 PolarHBondContact O-N 2.87Å
204S78.5Confident83.4Confident24 Ų2437.8 Ų37.817%0.16821%0.209CC..THydrogen-bonded Turntrans-55.8-14.7-177.261.70000114.9I200 P208I200-S204 VanDerWaalsContact O-CA 3.3Å; I200-S204 WeakPolarHBondContact O-CA 3.36Å; I200-S204 PolarHBondContact O-N 2.03Å; I200-S204 VanDerWaalsContact O-N 3.08Å; S204-P208 WeakPolarHBondContact O-CD 3.45Å
205C79.8Confident83.7Confident8 Ų840.5 Ų40.55%0.05422%0.224CC..THydrogen-bonded Turntrans-84.5-13.418069.60000114.3T123 C128 E203 E207 P208 F209T123-C205 WeakPolarHBondContact OG1-CB 3.3Å; C128-C205 HydrophobicContact CB-CB 4.34Å; C128-C205 WeakPolarHBondContact CB-SG 3.03Å; C128-C205 WeakPolarHBondContact SG-CB 3.42Å; C128-C205 CovalentContact SG-SG 2.01Å; C128-C205 PolarHBondContact SG-SG 3.34Å; E203-C205 PolarHBondContact O-N 3.45Å; C205-E207 VanDerWaalsContact C-N 3.34Å; C205-E207 PolarHBondContact O-N 3.04Å; C205-P208 WeakPolarHBondContact O-CD 3.37Å; C205-F209 WeakPolarHBondContact O-CB 3.08Å; C205-F209 PolarHBondContact O-N 3.23Å; C205-F209 VanDerWaalsContact O-N 3.15Å
206I80.8Confident84.2Confident15 Ų1543.9 Ų43.98%0.07724%0.243CC..Hα-helixtrans-63.6-39.2-179.7-164.2171.8000112.2T196 V199 I200 E203 F209 L210T196-I206 HydrophobicContact CG2-CG2 4.45Å; V199-I206 HydrophobicContact CB-CD1 4.48Å; V199-I206 HydrophobicContact CG1-CD1 3.91Å; V199-I206 HydrophobicContact CG1-CG2 4.43Å; I200-I206 HydrophobicContact CG1-CG2 3.65Å; E203-I206 VanDerWaalsContact O-CG2 3.22Å; E203-I206 WeakPolarHBondContact O-CG2 3.01Å; E203-I206 PolarHBondContact O-N 2.87Å; I206-F209 WeakPolarHBondContact O-CB 3.43Å; I206-F209 PolarHBondContact O-N 2.98Å; I206-L210 HydrophobicContact CG1-CD1 3.98Å; I206-L210 HydrophobicContact CG1-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.37Å; I206-L210 PolarHBondContact O-N 2.97Å
207E80.2Confident84.4Confident28 Ų2850.1 Ų50.113%0.13128%0.276CS..Hα-helixtrans-70.4-47.6-176-171.1-85.8-173.300112H189 I200 C205 F209 L210 R211H189-E207 IonicContact NE2-OE1 2.75Å; H189-E207 PolarHBondContact NE2-OE1 2.78Å; I200-E207 HydrophobicContact CD1-CB 3.93Å; I200-E207 HydrophobicContact CD1-CG 4.22Å; I200-E207 HydrophobicContact CG1-CB 4.08Å; C205-E207 VanDerWaalsContact C-N 3.34Å; C205-E207 PolarHBondContact O-N 3.04Å; E207-F209 VanDerWaalsContact C-N 3.26Å; E207-F209 PolarHBondContact O-N 2.85Å; E207-L210 PolarHBondContact O-N 3.41Å; E207-R211 PolarHBondContact O-N 2.94Å; E207-R211 IonicContact OE1-CZ 3.07Å; E207-R211 IonicContact OE1-NE 2.86Å; E207-R211 PolarHBondContact OE1-NE 3.31Å; E207-R211 IonicContact OE1-NH2 3.17Å; E207-R211 PolarHBondContact OE1-NH2 2.81Å; E207-R211 IonicContact OE2-NE 3.44Å
208P82Confident84.7Confident23 Ų2353.4 Ų53.415%0.14929%0.293CS..Hα-helixtrans-57.3-37170.1-30.739000113.6Y125 S204 C205 S212Y125-P208 HydrophobicContact CD1-CB 4.33Å; Y125-P208 HydrophobicContact CE1-CB 3.45Å; Y125-P208 VanDerWaalsContact CE1-CB 3.45Å; S204-P208 WeakPolarHBondContact O-CD 3.45Å; C205-P208 WeakPolarHBondContact O-CD 3.37Å; P208-S212 PolarHBondContact O-N 3.3Å; P208-S212 VanDerWaalsContact O-N 3.13Å
209F85.8Confident84.9Confident15 Ų1557.5 Ų57.57%0.06631%0.305CS..Hα-helixtrans-63.4-52.3175.7167.3-103.2000111.6Y125 F129 C205 I206 E207 R211 S212 C213 L230Y125-F209 HydrophobicContact CD1-CB 4.03Å; F129-F209 HydrophobicContact CD2-CE1 4.26Å; F129-F209 HydrophobicContact CD2-CE2 4.37Å; F129-F209 AromaticContact CD2-CZ 3.71Å; F129-F209 HydrophobicContact CD2-CZ 3.71Å; F129-F209 HydrophobicContact CE2-CZ 4.38Å; C205-F209 WeakPolarHBondContact O-CB 3.08Å; C205-F209 PolarHBondContact O-N 3.23Å; C205-F209 VanDerWaalsContact O-N 3.15Å; I206-F209 WeakPolarHBondContact O-CB 3.43Å; I206-F209 PolarHBondContact O-N 2.98Å; E207-F209 VanDerWaalsContact C-N 3.26Å; E207-F209 PolarHBondContact O-N 2.85Å; F209-R211 VanDerWaalsContact C-N 3.29Å; F209-R211 PolarHBondContact O-N 3.49Å; F209-S212 WeakPolarHBondContact O-CA 3.4Å; F209-S212 WeakPolarHBondContact O-CB 3.2Å; F209-S212 PolarHBondContact O-N 2.91Å; F209-S212 PolarHBondContact O-OG 2.04Å; F209-C213 PolarHBondContact O-N 2.93Å; F209-L230 HydrophobicContact CE1-CD2 3.85Å; F209-L230 HydrophobicContact CZ-CD2 3.83Å
210L87Confident85.4Confident2 Ų259.3 Ų59.31%0.0131%0.309CS..Hα-helixtrans-63.2-36.8-178.4-68.4168.2000112L192 T196 I206 E207 S212 C213 I221 W226L192-L210 HydrophobicContact CD1-CB 3.94Å; L192-L210 HydrophobicContact CD1-CD1 4.34Å; L192-L210 HydrophobicContact CD2-CD1 4.34Å; L192-L210 HydrophobicContact CD2-CD2 4.5Å; T196-L210 HydrophobicContact CG2-CD1 3.22Å; I206-L210 HydrophobicContact CG1-CD1 3.98Å; I206-L210 HydrophobicContact CG1-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.37Å; I206-L210 PolarHBondContact O-N 2.97Å; E207-L210 PolarHBondContact O-N 3.41Å; L210-S212 VanDerWaalsContact C-N 3.26Å; L210-S212 PolarHBondContact O-N 2.04Å; L210-C213 VanDerWaalsContact O-CB 3.26Å; L210-C213 WeakPolarHBondContact O-CB 3.45Å; L210-C213 PolarHBondContact O-N 3.24Å; L210-C213 VanDerWaalsContact O-N 3.15Å; L210-I221 WeakPolarHBondContact O-CD1 3.09Å; L210-W226 HydrophobicContact CD2-CH2 4.01Å; L210-W226 HydrophobicContact CD2-CZ3 3.67Å
211R85Confident86Confident120 Ų12059.2 Ų59.245%0.45331%0.309SS..Hα-helixtrans-63.2-31.9171.3-73.3-164.7-168.6-121.6-0113.2N76 H189 E207 F209 C213 D214N76-R211 PolarHBondContact O-NH2 3.16Å; H189-R211 PolarHBondContact NE2-NH2 3.18Å; E207-R211 PolarHBondContact O-N 2.94Å; E207-R211 IonicContact OE1-CZ 3.07Å; E207-R211 IonicContact OE1-NE 2.86Å; E207-R211 PolarHBondContact OE1-NE 3.31Å; E207-R211 IonicContact OE1-NH2 3.17Å; E207-R211 PolarHBondContact OE1-NH2 2.81Å; E207-R211 IonicContact OE2-NE 3.44Å; F209-R211 VanDerWaalsContact C-N 3.29Å; F209-R211 PolarHBondContact O-N 3.49Å; R211-C213 PolarHBondContact O-N 3.23Å; R211-D214 PolarHBondContact O-N 3.07Å
212S88.1Confident86.8Confident61 Ų6158.6 Ų58.643%0.42730%0.304SS..Hα-helixtrans-72.4-12.717776.50000113.5P208 F209 L210 D214P208-S212 PolarHBondContact O-N 3.3Å; P208-S212 VanDerWaalsContact O-N 3.13Å; F209-S212 WeakPolarHBondContact O-CA 3.4Å; F209-S212 WeakPolarHBondContact O-CB 3.2Å; F209-S212 PolarHBondContact O-N 2.91Å; F209-S212 PolarHBondContact O-OG 2.04Å; L210-S212 VanDerWaalsContact C-N 3.26Å; L210-S212 PolarHBondContact O-N 2.04Å; S212-D214 VanDerWaalsContact C-N 3.35Å
213C90.2Very high87.4Confident1 Ų154 Ų541%0.00728%0.28CS..Hα-helixtrans-73.2-28.2173.1-54.20000112.3F209 L210 R211 T215 I221 E225 C229F209-C213 PolarHBondContact O-N 2.93Å; L210-C213 VanDerWaalsContact O-CB 3.26Å; L210-C213 WeakPolarHBondContact O-CB 3.45Å; L210-C213 PolarHBondContact O-N 3.24Å; L210-C213 VanDerWaalsContact O-N 3.15Å; R211-C213 PolarHBondContact O-N 3.23Å; C213-T215 PolarHBondContact O-N 3.38Å; C213-T215 VanDerWaalsContact O-N 3.09Å; C213-I221 HydrophobicContact CB-CD1 4.23Å; C213-I221 HydrophobicContact CB-CG2 4.26Å; C213-E225 WeakPolarHBondContact O-CB 2.89Å; C213-C229 WeakPolarHBondContact CA-SG 3.41Å; C213-C229 HydrophobicContact CB-CB 3.48Å; C213-C229 VanDerWaalsContact CB-CB 3.48Å; C213-C229 WeakPolarHBondContact CB-SG 3.21Å; C213-C229 WeakPolarHBondContact SG-CB 3.06Å; C213-C229 CovalentContact SG-SG 2.03Å; C213-C229 PolarHBondContact SG-SG 2.93Å
214D92.1Very high88Confident26 Ų2656.2 Ų56.214%0.13929%0.289CS..  trans-74.292.7171176.61.3000108.2R211 S212 N217 D218 E219 I221R211-D214 PolarHBondContact O-N 3.07Å; S212-D214 VanDerWaalsContact C-N 3.35Å; D214-N217 WeakPolarHBondContact OD1-CA 3Å; D214-N217 PolarHBondContact OD1-N 2.65Å; D214-D218 PolarHBondContact OD1-N 3.39Å; D214-E219 VanDerWaalsContact OD2-CA 3.26Å; D214-E219 WeakPolarHBondContact OD2-CA 3.39Å; D214-E219 PolarHBondContact OD2-N 3.37Å; D214-I221 HydrophobicContact CB-CG1 4.05Å
215T91.5Very high88.7Confident97 Ų9755.8 Ų55.860%0.59528%0.284SS*.SBendtrans-87.2-25.4-167.556.10000113.5C213 E225C213-T215 PolarHBondContact O-N 3.38Å; C213-T215 VanDerWaalsContact O-N 3.09Å; T215-E225 PolarHBondContact N-OE1 3.02Å; T215-E225 PolarHBondContact OG1-OE1 2.95Å
216D92.2Very high89.3Confident106 Ų10655.5 Ų55.557%0.56728%0.282SS*.SBendtrans-96.3-4.9173.165.110.6000113.3D218D216-D218 PolarHBondContact OD1-N 2.03Å
217N89Confident89.8Confident133 Ų13354.8 Ų54.871%0.71128%0.278SS*.  trans62.542.3172.5-167.593000111.8D214D214-N217 WeakPolarHBondContact OD1-CA 3Å; D214-N217 PolarHBondContact OD1-N 2.65Å
218D91.7Very high90.3Very high73 Ų7359.4 Ų59.439%0.3930%0.298SS..SBendtrans-947.4177.685.1-16.3000113.7D214 D216 K220D214-D218 PolarHBondContact OD1-N 3.39Å; D216-D218 PolarHBondContact OD1-N 2.03Å; D218-K220 PolarHBondContact O-N 3.38Å; D218-K220 WeakPolarHBondContact OD1-CA 3.44Å; D218-K220 VanDerWaalsContact OD1-CB 3.26Å; D218-K220 WeakPolarHBondContact OD1-CB 3.07Å; D218-K220 PolarHBondContact OD1-N 3.5Å
219E88.3Confident90.6Very high161 Ų16159.8 Ų59.875%0.75230%0.301SS*.SBendtrans69.512.8-176-53.4-174.4168.500114.6D214D214-E219 VanDerWaalsContact OD2-CA 3.26Å; D214-E219 WeakPolarHBondContact OD2-CA 3.39Å; D214-E219 PolarHBondContact OD2-N 3.37Å
220K92Very high90.7Very high87 Ų8759.5 Ų59.538%0.37830%0.3SS..EExtended strand (participates in β ladder)trans-131.1138-179.6-61.2-179.7-177.9-173.50110.1H186 D218H186-K220 HydrophobicContact CB-CB 4.01Å; H186-K220 HydrophobicContact CB-CD 4.25Å; H186-K220 HydrophobicContact CB-CG 4.4Å; D218-K220 PolarHBondContact O-N 3.38Å; D218-K220 WeakPolarHBondContact OD1-CA 3.44Å; D218-K220 VanDerWaalsContact OD1-CB 3.26Å; D218-K220 WeakPolarHBondContact OD1-CB 3.07Å; D218-K220 PolarHBondContact OD1-N 3.5Å
221I93.6Very high90.7Very high7 Ų762 Ų624%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-103.5113175.5-56.2169.4000108.6Y175 V187 L192 L210 C213 D214 E225 W226Y175-I221 WeakPolarHBondContact CE2-O 3.21Å; Y175-I221 PolarHBondContact OH-O 2.85Å; V187-I221 HydrophobicContact CB-CB 4.41Å; V187-I221 PolarHBondContact N-O 2.86Å; V187-I221 PolarHBondContact O-N 2.94Å; L192-I221 HydrophobicContact CD1-CD1 3.93Å; L210-I221 WeakPolarHBondContact O-CD1 3.09Å; C213-I221 HydrophobicContact CB-CD1 4.23Å; C213-I221 HydrophobicContact CB-CG2 4.26Å; D214-I221 HydrophobicContact CB-CG1 4.05Å; I221-E225 HydrophobicContact CG2-CB 4.08Å; I221-W226 HydrophobicContact CG2-CB 3.93Å; I221-W226 HydrophobicContact CG2-CE3 4.21Å
222T94.4Very high90.7Very high39 Ų3957.1 Ų57.124%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-72.2158.3172.663.30000111K224 E225 W226T222-K224 PolarHBondContact O-N 3.46Å; T222-E225 WeakPolarHBondContact CB-OE2 3.39Å; T222-E225 PolarHBondContact N-OE2 3.29Å; T222-E225 PolarHBondContact O-N 3.12Å; T222-E225 WeakPolarHBondContact OG1-CB 3.03Å; T222-E225 VanDerWaalsContact OG1-CG 3.27Å; T222-E225 WeakPolarHBondContact OG1-CG 3.48Å; T222-E225 PolarHBondContact OG1-N 3.39Å; T222-E225 PolarHBondContact OG1-OE2 3.45Å; T222-W226 WeakPolarHBondContact O-CB 3.31Å; T222-W226 PolarHBondContact O-N 2.7Å
223L92.8Very high90.2Very high48 Ų4859.3 Ų59.325%0.25131%0.313SS..Hα-helixtrans-58-34.6175.5-173.172.5000110.8Y175 W226 G227 W240Y175-L223 VanDerWaalsContact CB-CD1 3.44Å; Y175-L223 HydrophobicContact CD1-CB 4.19Å; Y175-L223 HydrophobicContact CD1-CD1 3.34Å; Y175-L223 HydrophobicContact CD1-CG 4.26Å; Y175-L223 HydrophobicContact CD2-CB 4.41Å; Y175-L223 HydrophobicContact CD2-CD1 3.74Å; Y175-L223 HydrophobicContact CE1-CB 3.84Å; Y175-L223 HydrophobicContact CE1-CD1 3.94Å; Y175-L223 HydrophobicContact CE1-CG 4.41Å; Y175-L223 HydrophobicContact CE2-CB 4.1Å; Y175-L223 HydrophobicContact CE2-CD1 4.29Å; Y175-L223 HydrophobicContact CG-CB 4.43Å; Y175-L223 HydrophobicContact CG-CD1 3.2Å; Y175-L223 HydrophobicContact CG-CG 4.36Å; Y175-L223 VanDerWaalsContact CZ-N 3.33Å; Y175-L223 PolarHBondContact OH-N 3.46Å; L223-W226 PolarHBondContact O-N 3.27Å; L223-G227 PolarHBondContact O-N 3.15Å; L223-W240 HydrophobicContact CB-CZ3 3.74Å; L223-W240 HydrophobicContact CD1-CZ3 4.49Å; L223-W240 HydrophobicContact CD2-CE3 3.88Å; L223-W240 HydrophobicContact CD2-CH2 4.21Å; L223-W240 HydrophobicContact CD2-CZ3 3.4Å; L223-W240 VanDerWaalsContact CD2-CZ3 3.4Å; L223-W240 HydrophobicContact CG-CE3 4.2Å; L223-W240 HydrophobicContact CG-CH2 3.79Å; L223-W240 HydrophobicContact CG-CZ3 3.24Å; L223-W240 WeakPolarHBondContact O-CH2 3.44Å; L223-W240 WeakPolarHBondContact O-CZ3 3.4Å
224K92.6Very high89.1Confident107 Ų10764.1 Ų64.147%0.46534%0.335SS..Hα-helixtrans-63.6-48.4178.7-177.2177.6179.9178.10111.4T222 G227 K228 E234 W240T222-K224 PolarHBondContact O-N 3.46Å; K224-G227 PolarHBondContact O-N 3.11Å; K224-K228 WeakPolarHBondContact O-CB 3.49Å; K224-K228 PolarHBondContact O-N 3.15Å; K224-E234 WeakPolarHBondContact CE-OE1 3.29Å; K224-E234 WeakPolarHBondContact CE-OE2 3.47Å; K224-E234 VanDerWaalsContact NZ-CD 3.34Å; K224-E234 IonicContact NZ-OE1 3.79Å; K224-E234 PolarHBondContact NZ-OE1 3.37Å; K224-E234 IonicContact NZ-OE2 3.92Å; K224-E234 PolarHBondContact NZ-OE2 2.89Å; K224-E234 VanDerWaalsContact NZ-OE2 3.07Å; K224-W240 HydrophobicContact CB-CZ3 4.45Å
225E93.9Very high87.4Confident15 Ų1567.9 Ų67.97%0.0736%0.364CS..Hα-helixtrans-63.4-46.4176.7-77.6174.2127.400112.1C213 T215 I221 T222 G227 K228 C229C213-E225 WeakPolarHBondContact O-CB 2.89Å; T215-E225 PolarHBondContact N-OE1 3.02Å; T215-E225 PolarHBondContact OG1-OE1 2.95Å; I221-E225 HydrophobicContact CG2-CB 4.08Å; T222-E225 WeakPolarHBondContact CB-OE2 3.39Å; T222-E225 PolarHBondContact N-OE2 3.29Å; T222-E225 PolarHBondContact O-N 3.12Å; T222-E225 WeakPolarHBondContact OG1-CB 3.03Å; T222-E225 VanDerWaalsContact OG1-CG 3.27Å; T222-E225 WeakPolarHBondContact OG1-CG 3.48Å; T222-E225 PolarHBondContact OG1-N 3.39Å; T222-E225 PolarHBondContact OG1-OE2 3.45Å; E225-G227 PolarHBondContact O-N 2.68Å; E225-K228 PolarHBondContact O-N 3.5Å; E225-C229 WeakPolarHBondContact O-CB 3.26Å; E225-C229 PolarHBondContact O-N 2.77Å
226W92.5Very high85.5Confident2 Ų269.5 Ų69.51%0.00836%0.362CS..Hα-helixtrans-53.9-52.9174.1-179-104.5000111.5I171 K174 Y175 L178 L192 L210 I221 T222 L223 K228 C229 L230I171-W226 PolarHBondContact O-NE1 3.38Å; I171-W226 VanDerWaalsContact O-NE1 3.12Å; K174-W226 HydrophobicContact CB-CZ2 4.46Å; K174-W226 HydrophobicContact CG-CZ2 4Å; Y175-W226 HydrophobicContact CD2-CB 3.73Å; Y175-W226 AromaticContact CD2-CD1 3.72Å; Y175-W226 HydrophobicContact CD2-CD2 4.09Å; Y175-W226 AromaticContact CD2-CG 3.59Å; Y175-W226 HydrophobicContact CD2-CG 3.59Å; Y175-W226 HydrophobicContact CE2-CB 4.01Å; Y175-W226 HydrophobicContact CE2-CG 4.32Å; Y175-W226 HydrophobicContact CG-CG 4.5Å; L178-W226 HydrophobicContact CD1-CH2 3.76Å; L178-W226 HydrophobicContact CD1-CZ2 4.06Å; L178-W226 HydrophobicContact CD1-CZ3 4.39Å; L192-W226 HydrophobicContact CD2-CZ3 4.13Å; L210-W226 HydrophobicContact CD2-CH2 4.01Å; L210-W226 HydrophobicContact CD2-CZ3 3.67Å; I221-W226 HydrophobicContact CG2-CB 3.93Å; I221-W226 HydrophobicContact CG2-CE3 4.21Å; T222-W226 WeakPolarHBondContact O-CB 3.31Å; T222-W226 PolarHBondContact O-N 2.7Å; L223-W226 PolarHBondContact O-N 3.27Å; W226-K228 PolarHBondContact O-N 3.31Å; W226-C229 PolarHBondContact O-N 3.32Å; W226-L230 HydrophobicContact CD2-CD1 3.94Å; W226-L230 HydrophobicContact CG-CD1 4.23Å; W226-L230 HydrophobicContact CZ2-CD1 3.7Å; W226-L230 VanDerWaalsContact O-CG 3.29Å; W226-L230 WeakPolarHBondContact O-CG 3.22Å; W226-L230 PolarHBondContact O-N 3.02Å
227G91.4Very high83.8Confident0 Ų065.7 Ų65.70%034%0.341CS..Hα-helixtrans-58.1-48.7178.600000112.4L223 K224 E225 C229 L230 G231 L232L223-G227 PolarHBondContact O-N 3.15Å; K224-G227 PolarHBondContact O-N 3.11Å; E225-G227 PolarHBondContact O-N 2.68Å; G227-C229 PolarHBondContact O-N 3.05Å; G227-L230 CarbonylContact O-C 3.54Å; G227-L230 PolarHBondContact O-N 3.03Å; G227-G231 PolarHBondContact O-N 3.16Å; G227-G231 VanDerWaalsContact O-N 3.16Å; G227-L232 VanDerWaalsContact O-CB 3.3Å; G227-L232 WeakPolarHBondContact O-CB 3.38Å; G227-L232 PolarHBondContact O-N 3.04Å
228K89.8Confident82Confident124 Ų12464.4 Ų64.454%0.53934%0.343SS..Hα-helixtrans-62.7-41.9178.9-176.2178.2178.3-179.90112.2K224 E225 W226 L230 G231K224-K228 WeakPolarHBondContact O-CB 3.49Å; K224-K228 PolarHBondContact O-N 3.15Å; E225-K228 PolarHBondContact O-N 3.5Å; W226-K228 PolarHBondContact O-N 3.31Å; K228-L230 PolarHBondContact O-N 3.22Å; K228-G231 PolarHBondContact O-N 2.87Å; K228-G231 VanDerWaalsContact O-N 3.08Å
229C88.9Confident80Confident32 Ų3266.9 Ų66.922%0.21635%0.35CS..Hα-helixtrans-63.2-33.6178-162.40000111.9C213 E225 W226 G227 G231C213-C229 WeakPolarHBondContact CA-SG 3.41Å; C213-C229 HydrophobicContact CB-CB 3.48Å; C213-C229 VanDerWaalsContact CB-CB 3.48Å; C213-C229 WeakPolarHBondContact CB-SG 3.21Å; C213-C229 WeakPolarHBondContact SG-CB 3.06Å; C213-C229 CovalentContact SG-SG 2.03Å; C213-C229 PolarHBondContact SG-SG 2.93Å; E225-C229 WeakPolarHBondContact O-CB 3.26Å; E225-C229 PolarHBondContact O-N 2.77Å; W226-C229 PolarHBondContact O-N 3.32Å; G227-C229 PolarHBondContact O-N 3.05Å; C229-G231 VanDerWaalsContact C-N 3.33Å
230L87.8Confident78.1Confident8 Ų863.8 Ų63.84%0.04233%0.332CS..THydrogen-bonded Turntrans-92.718.2175.2-52.9177.8000113.2F129 L132 L134 I171 F209 W226 G227 K228F129-L230 HydrophobicContact CD2-CD2 3.97Å; F129-L230 VanDerWaalsContact CE2-CA 3.46Å; F129-L230 HydrophobicContact CE2-CB 3.71Å; F129-L230 HydrophobicContact CE2-CD2 3.4Å; F129-L230 HydrophobicContact CE2-CG 4.09Å; F129-L230 VanDerWaalsContact CZ-C 3.5Å; F129-L230 HydrophobicContact CZ-CB 3.97Å; F129-L230 HydrophobicContact CZ-CD2 4.47Å; F129-L230 WeakPolarHBondContact CZ-O 3.26Å; L132-L230 HydrophobicContact CD1-CD2 4.1Å; L134-L230 HydrophobicContact CD1-CD1 4.5Å; I171-L230 HydrophobicContact CB-CD1 4.43Å; I171-L230 HydrophobicContact CD1-CB 3.75Å; I171-L230 HydrophobicContact CD1-CD1 4.42Å; I171-L230 HydrophobicContact CG1-CB 4.16Å; I171-L230 HydrophobicContact CG1-CD1 3.9Å; I171-L230 HydrophobicContact CG2-CD1 4.03Å; F209-L230 HydrophobicContact CE1-CD2 3.85Å; F209-L230 HydrophobicContact CZ-CD2 3.83Å; W226-L230 HydrophobicContact CD2-CD1 3.94Å; W226-L230 HydrophobicContact CG-CD1 4.23Å; W226-L230 HydrophobicContact CZ2-CD1 3.7Å; W226-L230 VanDerWaalsContact O-CG 3.29Å; W226-L230 WeakPolarHBondContact O-CG 3.22Å; W226-L230 PolarHBondContact O-N 3.02Å; G227-L230 CarbonylContact O-C 3.54Å; G227-L230 PolarHBondContact O-N 3.03Å; K228-L230 PolarHBondContact O-N 3.22Å
231G86.5Confident75.6Confident56 Ų5663.6 Ų63.658%0.57735%0.346SS*.THydrogen-bonded Turntrans84.614.7169.400000116.9G227 K228 C229G227-G231 PolarHBondContact O-N 3.16Å; G227-G231 VanDerWaalsContact O-N 3.16Å; K228-G231 PolarHBondContact O-N 2.87Å; K228-G231 VanDerWaalsContact O-N 3.08Å; C229-G231 VanDerWaalsContact C-N 3.33Å
232L85.4Confident72.9Confident16 Ų1674 Ų748%0.08439%0.394CS..  trans-76.3121.9171-61.8-174000111V168 I171 G227 W240V168-L232 HydrophobicContact CG2-CD2 3.84Å; I171-L232 HydrophobicContact CB-CD1 4.3Å; I171-L232 HydrophobicContact CD1-CD1 4.03Å; I171-L232 HydrophobicContact CD1-CD2 3.77Å; I171-L232 HydrophobicContact CD1-CG 3.7Å; I171-L232 HydrophobicContact CG2-CD1 3.78Å; I171-L232 HydrophobicContact CG2-CG 4.49Å; G227-L232 VanDerWaalsContact O-CB 3.3Å; G227-L232 WeakPolarHBondContact O-CB 3.38Å; G227-L232 PolarHBondContact O-N 3.04Å; L232-W240 HydrophobicContact CD1-CZ2 4.18Å
233E77.9Confident71.8Confident107 Ų10775.7 Ų75.750%0.540%0.402SS..  trans-78.3123.9176.6-64.2178.8160.600112.2S235 K236 H237E233-S235 PolarHBondContact O-N 3.48Å; E233-K236 PolarHBondContact O-N 2.86Å; E233-K236 WeakPolarHBondContact OE2-CE 3.48Å; E233-K236 IonicContact OE2-NZ 3.43Å; E233-K236 PolarHBondContact OE2-NZ 3.39Å; E233-H237 PolarHBondContact O-CD2 3.06Å; E233-H237 PolarHBondContact O-NE2 2.94Å
234E66.7Low70.7Confident103 Ų10377.2 Ų77.248%0.48141%0.41SS..G310 helixtrans-54.2-30.1-178.6-71.7-175.9-15900114.5K224 K236K224-E234 WeakPolarHBondContact CE-OE1 3.29Å; K224-E234 WeakPolarHBondContact CE-OE2 3.47Å; K224-E234 VanDerWaalsContact NZ-CD 3.34Å; K224-E234 IonicContact NZ-OE1 3.79Å; K224-E234 PolarHBondContact NZ-OE1 3.37Å; K224-E234 IonicContact NZ-OE2 3.92Å; K224-E234 PolarHBondContact NZ-OE2 2.89Å; K224-E234 VanDerWaalsContact NZ-OE2 3.07Å; E234-K236 VanDerWaalsContact C-N 3.3Å; E234-K236 PolarHBondContact O-N 3.25Å
235S57Low69.5Low105 Ų10575.5 Ų75.573%0.73441%0.406SS*.G310 helixtrans-72.4-12.5-170.655.60000115.5E233E233-S235 PolarHBondContact O-N 3.48Å
236K52Low68Low130 Ų13079.1 Ų79.157%0.56543%0.426SS*.G310 helixtrans-111.1-0.1-173.2-68.9179.7-177.8144.30115.2E233 E234E233-K236 PolarHBondContact O-N 2.86Å; E233-K236 WeakPolarHBondContact OE2-CE 3.48Å; E233-K236 IonicContact OE2-NZ 3.43Å; E233-K236 PolarHBondContact OE2-NZ 3.39Å; E234-K236 VanDerWaalsContact C-N 3.3Å; E234-K236 PolarHBondContact O-N 3.25Å
237H54.7Low66.5Low26 Ų2683.9 Ų83.912%0.1245%0.452CS..  trans-115.391-165.8-59.1-52.5000112.2H164 E233 F239 W240H164-H237 AromaticContact CE1-CE1 3.62Å; H164-H237 AromaticContact CE1-ND1 3.74Å; H164-H237 AromaticContact NE2-CE1 3.38Å; H164-H237 PolarHBondContact NE2-CE1 2.89Å; H164-H237 AromaticContact NE2-ND1 3.9Å; E233-H237 PolarHBondContact O-CD2 3.06Å; E233-H237 PolarHBondContact O-NE2 2.94Å; H237-F239 PolarHBondContact O-N 2.97Å; H237-W240 HydrophobicContact CB-CG 4.38Å; H237-W240 AromaticContact CD2-NE1 3.61Å; H237-W240 AromaticContact CG-NE1 3.56Å; H237-W240 VanDerWaalsContact O-CD1 3.25Å
238S52.4Low64.8Low107 Ų10789.5 Ų89.575%0.74848%0.483SS*.G310 helixtrans-72.92.1164.255.80000113.2
239F50.4Low63Low124 Ų12487 Ų8754%0.54448%0.479SS..G310 helixtrans-78-22.8-179.1-114.1-88.7000113.9H237 A241H237-F239 PolarHBondContact O-N 2.97Å; F239-A241 PolarHBondContact O-N 3.05Å
240W47.6Very low61.1Low97 Ų9791.2 Ų91.237%0.36750%0.499SS..G310 helixtrans-65.6-5.8-177.9-63110.8000115L223 K224 L232 H237L223-W240 HydrophobicContact CB-CZ3 3.74Å; L223-W240 HydrophobicContact CD1-CZ3 4.49Å; L223-W240 HydrophobicContact CD2-CE3 3.88Å; L223-W240 HydrophobicContact CD2-CH2 4.21Å; L223-W240 HydrophobicContact CD2-CZ3 3.4Å; L223-W240 VanDerWaalsContact CD2-CZ3 3.4Å; L223-W240 HydrophobicContact CG-CE3 4.2Å; L223-W240 HydrophobicContact CG-CH2 3.79Å; L223-W240 HydrophobicContact CG-CZ3 3.24Å; L223-W240 WeakPolarHBondContact O-CH2 3.44Å; L223-W240 WeakPolarHBondContact O-CZ3 3.4Å; K224-W240 HydrophobicContact CB-CZ3 4.45Å; L232-W240 HydrophobicContact CD1-CZ2 4.18Å; H237-W240 HydrophobicContact CB-CG 4.38Å; H237-W240 AromaticContact CD2-NE1 3.61Å; H237-W240 AromaticContact CG-NE1 3.56Å; H237-W240 VanDerWaalsContact O-CD1 3.25Å
241A40.3Very low58.8Low82 Ų8298.2 Ų98.268%0.67854%0.537SS*.G310 helixtrans-92.12.9-171.800000115.2F239F239-A241 PolarHBondContact O-N 3.05Å
242H35.1Very low56.3Low225 Ų225102 Ų102100%1.04253%0.533SS*.  trans-124.10-177.7-61.480.1000111.7

Retrieved 242 of 242 residues in 120.9 ms (Link to these results)

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