A0A077ZNU8_TRITR Loading...

Retrotransposon gag domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZNU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M45.6Very low75.2Confident240 Ų240121.8 Ų121.8100%1.18265%0.651SS**  0110.90-136.8-175-73.200105.5
2E53.3Low76.9Confident182 Ų182121.9 Ų121.985%0.8564%0.644SS**PPolyproline II helixtrans-59.9140.8173.2-73.9-175.2150.200108.7
3P61.2Low78.5Confident110 Ų110120.2 Ų120.271%0.71464%0.641SS**PPolyproline II helixtrans-59140.4177.225.4-32.7000109.2S5P3-S5 PolarHBondContact O-N 3.12Å; P3-S5 VanDerWaalsContact O-N 3.07Å
4P64.5Low79.9Confident131 Ų131112.3 Ų112.385%0.85160%0.598SS**PPolyproline II helixtrans-57122.2178.322.9-31.8000108.7R6P4-R6 PolarHBondContact O-N 3.39Å
5S69Low81Confident111 Ų111109.5 Ų109.578%0.77658%0.584SS**PPolyproline II helixtrans-64.9128.2178.2-73.80000108.6P3P3-S5 PolarHBondContact O-N 3.12Å; P3-S5 VanDerWaalsContact O-N 3.07Å
6R79.4Confident81.7Confident231 Ų231104.4 Ų104.487%0.87257%0.565SS**PPolyproline II helixtrans-59.3127.3176.4-164.8-179.5-143.3170.35.9108.1P4P4-R6 PolarHBondContact O-N 3.39Å
7P83.5Confident82.3Confident20 Ų20107.4 Ų107.413%0.1357%0.574CS.*PPolyproline II helixtrans-63.3144179.429.7-37.6000109.2V9 M10 W36 W44P7-V9 VanDerWaalsContact C-N 3.29Å; P7-M10 HydrophobicContact CG-SD 3.29Å; P7-M10 WeakPolarHBondContact CG-SD 3.38Å; P7-W36 HydrophobicContact CB-CZ2 4.31Å; P7-W44 HydrophobicContact CB-CZ2 4.23Å; P7-W44 HydrophobicContact CG-CH2 3.63Å; P7-W44 HydrophobicContact CG-CZ2 3.53Å
8V90.2Very high82.5Confident125 Ų125105.3 Ų105.376%0.75858%0.582SS**SBendtrans-66.3-39.2174.2-177.40000109.8N34V8-N34 WeakPolarHBondContact CA-OD1 3.45Å; V8-N34 WeakPolarHBondContact CB-OD1 3.17Å; V8-N34 PolarHBondContact N-OD1 2.9Å
9V92.8Very high82.8Confident59 Ų59101.4 Ų101.436%0.35856%0.563SS.*SBendtrans-127.8126.1177.4-178.10000109.3P7 L33 N34P7-V9 VanDerWaalsContact C-N 3.29Å; V9-L33 HydrophobicContact CG2-CD1 4.2Å; V9-N34 PolarHBondContact N-OD1 3.1Å; V9-N34 PolarHBondContact O-ND2 2.9Å
10M93.6Very high83.4Confident118 Ų11896.9 Ų96.958%0.58154%0.537SS*.PPolyproline II helixtrans-75.2133.3175.1-66.5-64.9-6000110P7 W44P7-M10 HydrophobicContact CG-SD 3.29Å; P7-M10 WeakPolarHBondContact CG-SD 3.38Å; M10-W44 HydrophobicContact CE-CH2 3.69Å; M10-W44 HydrophobicContact CE-CZ3 3.48Å; M10-W44 VanDerWaalsContact CE-CZ3 3.48Å; M10-W44 HydrophobicContact SD-CH2 3.98Å; M10-W44 HydrophobicContact SD-CZ3 4.23Å
11P94.5Very high83.7Confident13 Ų1397.4 Ų97.48%0.08454%0.536CS..PPolyproline II helixtrans-63.2150.6170.429.6-35.3000110.3F27 W36 W44 S48P11-F27 HydrophobicContact CB-CD2 3.78Å; P11-F27 HydrophobicContact CB-CE2 4.02Å; P11-F27 HydrophobicContact CG-CE2 4.43Å; P11-W36 HydrophobicContact CB-CH2 4.1Å; P11-W36 HydrophobicContact CG-CH2 3.81Å; P11-W44 HydrophobicContact CG-CD2 4.44Å; P11-W44 HydrophobicContact CG-CE3 3.67Å; P11-W44 HydrophobicContact CG-CZ3 4.25Å; P11-S48 WeakPolarHBondContact CG-OG 3.36Å
12Q95.5Very high85.9Confident123 Ų12390.8 Ų90.858%0.57551%0.505SS*.PPolyproline II helixtrans-71.1147.5171.3-64.2-177.5-3400110.1W23Q12-W23 PolarHBondContact O-NE1 3.3Å
13T97.1Very high88Confident99 Ų9982.8 Ų82.861%0.60747%0.467SS*.PPolyproline II helixtrans-73.9150.6169.553.20000111S48 T50T13-S48 CarbonylContact C-O 3.6Å; T13-S48 WeakPolarHBondContact CA-O 3.43Å; T13-T50 HydrophobicContact CG2-CG2 4.35Å
14Y97.7Very high89.6Confident10 Ų1080.5 Ų80.54%0.03944%0.444CS..BIsolated β-bridgetrans-130.3120.6172-176.8-112.2000110.1G16 E17 W20 W23 S48 L49 T50 A53 L79Y14-G16 VanDerWaalsContact CE1-CA 3.5Å; Y14-G16 PolarHBondContact OH-O 3.02Å; Y14-G16 VanDerWaalsContact OH-O 3.13Å; Y14-E17 WeakPolarHBondContact CE2-O 3.44Å; Y14-W20 AromaticContact CD1-CE3 3.67Å; Y14-W20 HydrophobicContact CD1-CE3 3.67Å; Y14-W20 AromaticContact CD1-CZ3 3.71Å; Y14-W20 HydrophobicContact CD1-CZ3 3.71Å; Y14-W20 HydrophobicContact CE1-CD2 4.42Å; Y14-W20 AromaticContact CE1-CE3 3.33Å; Y14-W20 HydrophobicContact CE1-CE3 3.33Å; Y14-W20 AromaticContact CE1-CZ3 3.81Å; Y14-W20 HydrophobicContact CE1-CZ3 3.81Å; Y14-W20 AromaticContact CZ-CE3 3.95Å; Y14-W23 VanDerWaalsContact CB-CE2 3.44Å; Y14-W23 HydrophobicContact CD2-CB 3.9Å; Y14-W23 HydrophobicContact CD2-CD2 4.35Å; Y14-W23 AromaticContact CD2-CG 3.83Å; Y14-W23 HydrophobicContact CD2-CG 3.83Å; Y14-W23 HydrophobicContact CE2-CB 4.34Å; Y14-W23 HydrophobicContact CG-CB 4.36Å; Y14-W23 AromaticContact CG-CD2 3.93Å; Y14-W23 HydrophobicContact CG-CD2 3.93Å; Y14-W23 HydrophobicContact CG-CE3 4.34Å; Y14-W23 AromaticContact CG-CG 3.9Å; Y14-W23 HydrophobicContact CG-CG 3.9Å; Y14-S48 PolarHBondContact N-O 2.91Å; Y14-L49 HydrophobicContact CD1-CD2 4.19Å; Y14-L49 WeakPolarHBondContact O-CA 3.28Å; Y14-T50 PolarHBondContact O-N 3.22Å; Y14-T50 PolarHBondContact O-OG1 3.44Å; Y14-A53 HydrophobicContact CD1-CB 3.61Å; Y14-A53 HydrophobicContact CE1-CB 4.04Å; Y14-A53 WeakPolarHBondContact O-CB 3.48Å; Y14-L79 HydrophobicContact CE1-CD1 4.17Å
15D96.5Very high91.1Very high71 Ų7177.6 Ų77.638%0.3842%0.424SS..  trans-92.4-10-17856.24.3000114E17 T50 D52 A53D15-E17 WeakPolarHBondContact OD1-CB 3.47Å; D15-E17 PolarHBondContact OD1-N 3.47Å; D15-T50 CarbonylContact C-O 3.53Å; D15-T50 VanDerWaalsContact CA-O 3.28Å; D15-T50 WeakPolarHBondContact CA-O 3.45Å; D15-T50 WeakPolarHBondContact CA-OG1 3.35Å; D15-D52 PolarHBondContact O-N 3.17Å; D15-A53 PolarHBondContact O-N 2.96Å; D15-A53 VanDerWaalsContact O-N 3.17Å
16G92.8Very high92.4Very high27 Ų2774.2 Ų74.228%0.27840%0.4SS..SBendtrans111.1-14.2-171.500000112.7Y14Y14-G16 VanDerWaalsContact CE1-CA 3.5Å; Y14-G16 PolarHBondContact OH-O 3.02Å; Y14-G16 VanDerWaalsContact OH-O 3.13Å
17E91.3Very high93.2Very high155 Ų15563.3 Ų63.372%0.72436%0.359SS*.  trans-91.6143.7179.9-61.1-164.6166.900112.5Y14 D15Y14-E17 WeakPolarHBondContact CE2-O 3.44Å; D15-E17 WeakPolarHBondContact OD1-CB 3.47Å; D15-E17 PolarHBondContact OD1-N 3.47Å
18G86.3Confident93.8Very high70 Ų7064.2 Ų64.272%0.72236%0.362SS*.SBendtrans86.5-160.8-179.100000113.8W20G18-W20 PolarHBondContact O-N 3.35Å
19S89.2Confident94.1Very high32 Ų3263.3 Ų63.322%0.22435%0.35CS..  trans-86.7104.7-172.1178.10000111.2Q21 N22 W23S19-Q21 PolarHBondContact O-N 3.36Å; S19-N22 PolarHBondContact O-N 2.95Å; S19-N22 VanDerWaalsContact OG-CG 3.28Å; S19-N22 PolarHBondContact OG-N 3.44Å; S19-N22 PolarHBondContact OG-OD1 3.2Å; S19-W23 PolarHBondContact O-N 3.25Å
20W93.3Very high94.3Very high11 Ų1161 Ų614%0.04234%0.336CS..Hα-helixtrans-46.6-46171.6173.5-119.6000112.3Y14 G18 N22 W23 R24 L49 I72 L75 T76 L79 V80Y14-W20 AromaticContact CD1-CE3 3.67Å; Y14-W20 HydrophobicContact CD1-CE3 3.67Å; Y14-W20 AromaticContact CD1-CZ3 3.71Å; Y14-W20 HydrophobicContact CD1-CZ3 3.71Å; Y14-W20 HydrophobicContact CE1-CD2 4.42Å; Y14-W20 AromaticContact CE1-CE3 3.33Å; Y14-W20 HydrophobicContact CE1-CE3 3.33Å; Y14-W20 AromaticContact CE1-CZ3 3.81Å; Y14-W20 HydrophobicContact CE1-CZ3 3.81Å; Y14-W20 AromaticContact CZ-CE3 3.95Å; G18-W20 PolarHBondContact O-N 3.35Å; W20-N22 VanDerWaalsContact C-N 3.35Å; W20-N22 PolarHBondContact O-N 3.21Å; W20-W23 AromaticContact CE3-CE3 3.89Å; W20-W23 HydrophobicContact CE3-CE3 3.89Å; W20-W23 HydrophobicContact CE3-CZ3 4.33Å; W20-W23 HydrophobicContact CH2-CE3 4.16Å; W20-W23 AromaticContact CH2-CZ3 3.78Å; W20-W23 HydrophobicContact CH2-CZ3 3.78Å; W20-W23 AromaticContact CZ3-CE3 3.5Å; W20-W23 HydrophobicContact CZ3-CE3 3.5Å; W20-W23 VanDerWaalsContact CZ3-CE3 3.5Å; W20-W23 AromaticContact CZ3-CZ3 3.49Å; W20-W23 HydrophobicContact CZ3-CZ3 3.49Å; W20-W23 VanDerWaalsContact CZ3-CZ3 3.49Å; W20-W23 PolarHBondContact O-N 3.33Å; W20-R24 WeakPolarHBondContact O-CB 3.5Å; W20-R24 PolarHBondContact O-N 3.11Å; W20-L49 HydrophobicContact CH2-CD2 4.45Å; W20-L49 HydrophobicContact CZ3-CD2 4.08Å; W20-I72 HydrophobicContact CH2-CD1 4.32Å; W20-I72 HydrophobicContact CZ2-CD1 4.06Å; W20-L75 HydrophobicContact CH2-CB 3.94Å; W20-L75 HydrophobicContact CH2-CD1 3.79Å; W20-L75 HydrophobicContact CH2-CG 4.47Å; W20-L75 HydrophobicContact CZ2-CB 3.74Å; W20-L75 HydrophobicContact CZ2-CD1 4.28Å; W20-T76 PolarHBondContact NE1-OG1 3.09Å; W20-L79 HydrophobicContact CD2-CD1 4.27Å; W20-L79 HydrophobicContact CE3-CD1 3.86Å; W20-L79 HydrophobicContact CH2-CD1 4.01Å; W20-L79 HydrophobicContact CZ2-CD1 4.41Å; W20-L79 HydrophobicContact CZ3-CD1 3.71Å; W20-V80 HydrophobicContact CB-CG2 4.08Å; W20-V80 HydrophobicContact CG-CG2 4.02Å
21Q91.2Very high94.3Very high107 Ų10755.5 Ų55.550%0.531%0.309SS..Hα-helixtrans-64.6-36.9-179.9-172.461.319.800112.8S19 T25S19-Q21 PolarHBondContact O-N 3.36Å; Q21-T25 WeakPolarHBondContact O-CB 3.39Å; Q21-T25 PolarHBondContact O-N 3.02Å; Q21-T25 PolarHBondContact O-OG1 3.4Å
22N91.3Very high94.4Very high102 Ų10260 Ų6055%0.54533%0.331SS..Hα-helixtrans-70.4-44.3178.7-68.615.5000110.6S19 W20 T25 S26S19-N22 PolarHBondContact O-N 2.95Å; S19-N22 VanDerWaalsContact OG-CG 3.28Å; S19-N22 PolarHBondContact OG-N 3.44Å; S19-N22 PolarHBondContact OG-OD1 3.2Å; W20-N22 VanDerWaalsContact C-N 3.35Å; W20-N22 PolarHBondContact O-N 3.21Å; N22-T25 PolarHBondContact O-N 3.03Å; N22-S26 PolarHBondContact O-N 3Å; N22-S26 VanDerWaalsContact O-N 3.08Å
23W96.2Very high94.4Very high14 Ų1459.5 Ų59.55%0.05333%0.332CS..Hα-helixtrans-61.4-48.5177.2177.781.6000111Q12 Y14 S19 W20 T25 S26 F27 L45 L49Q12-W23 PolarHBondContact O-NE1 3.3Å; Y14-W23 VanDerWaalsContact CB-CE2 3.44Å; Y14-W23 HydrophobicContact CD2-CB 3.9Å; Y14-W23 HydrophobicContact CD2-CD2 4.35Å; Y14-W23 AromaticContact CD2-CG 3.83Å; Y14-W23 HydrophobicContact CD2-CG 3.83Å; Y14-W23 HydrophobicContact CE2-CB 4.34Å; Y14-W23 HydrophobicContact CG-CB 4.36Å; Y14-W23 AromaticContact CG-CD2 3.93Å; Y14-W23 HydrophobicContact CG-CD2 3.93Å; Y14-W23 HydrophobicContact CG-CE3 4.34Å; Y14-W23 AromaticContact CG-CG 3.9Å; Y14-W23 HydrophobicContact CG-CG 3.9Å; S19-W23 PolarHBondContact O-N 3.25Å; W20-W23 AromaticContact CE3-CE3 3.89Å; W20-W23 HydrophobicContact CE3-CE3 3.89Å; W20-W23 HydrophobicContact CE3-CZ3 4.33Å; W20-W23 HydrophobicContact CH2-CE3 4.16Å; W20-W23 AromaticContact CH2-CZ3 3.78Å; W20-W23 HydrophobicContact CH2-CZ3 3.78Å; W20-W23 AromaticContact CZ3-CE3 3.5Å; W20-W23 HydrophobicContact CZ3-CE3 3.5Å; W20-W23 VanDerWaalsContact CZ3-CE3 3.5Å; W20-W23 AromaticContact CZ3-CZ3 3.49Å; W20-W23 HydrophobicContact CZ3-CZ3 3.49Å; W20-W23 VanDerWaalsContact CZ3-CZ3 3.49Å; W20-W23 PolarHBondContact O-N 3.33Å; W23-T25 VanDerWaalsContact C-N 3.31Å; W23-T25 PolarHBondContact O-N 3.5Å; W23-S26 WeakPolarHBondContact O-CA 3.41Å; W23-S26 WeakPolarHBondContact O-CB 3.44Å; W23-S26 PolarHBondContact O-N 2.79Å; W23-F27 HydrophobicContact CH2-CB 4.24Å; W23-F27 AromaticContact CH2-CD2 3.8Å; W23-F27 HydrophobicContact CH2-CD2 3.8Å; W23-F27 HydrophobicContact CH2-CE2 4.4Å; W23-F27 HydrophobicContact CH2-CG 4.04Å; W23-F27 HydrophobicContact CZ2-CB 4.29Å; W23-F27 AromaticContact CZ2-CD2 3.79Å; W23-F27 HydrophobicContact CZ2-CD2 3.79Å; W23-F27 HydrophobicContact CZ2-CG 4.29Å; W23-F27 HydrophobicContact CZ3-CB 4.41Å; W23-F27 PolarHBondContact O-N 3.41Å; W23-L45 HydrophobicContact CH2-CD1 3.64Å; W23-L45 HydrophobicContact CZ3-CD1 3.94Å; W23-L49 HydrophobicContact CH2-CD2 3.9Å; W23-L49 HydrophobicContact CZ2-CD2 4.45Å; W23-L49 HydrophobicContact CZ3-CD2 4.14Å
24R96Very high94.2Very high62 Ų6255.9 Ų55.923%0.23431%0.309CS..Hα-helixtrans-55.5-45.5175.3-177.8-176.4167.8-179.62.5111.7W20 S26 F27 E28W20-R24 WeakPolarHBondContact O-CB 3.5Å; W20-R24 PolarHBondContact O-N 3.11Å; R24-S26 VanDerWaalsContact C-N 3.29Å; R24-S26 PolarHBondContact O-N 3.01Å; R24-F27 WeakPolarHBondContact O-CB 3.48Å; R24-F27 PolarHBondContact O-N 3.47Å; R24-E28 HydrophobicContact CG-CG 4.39Å; R24-E28 IonicContact NE-OE1 2.93Å; R24-E28 VanDerWaalsContact O-CG 3.28Å; R24-E28 WeakPolarHBondContact O-CG 3.36Å; R24-E28 PolarHBondContact O-N 3.03Å
25T95.7Very high94.1Very high70 Ų7066.2 Ų66.243%0.42935%0.348SS..Hα-helixtrans-57.2-43.7176.7-55.90000111.5Q21 N22 W23 Q29Q21-T25 WeakPolarHBondContact O-CB 3.39Å; Q21-T25 PolarHBondContact O-N 3.02Å; Q21-T25 PolarHBondContact O-OG1 3.4Å; N22-T25 PolarHBondContact O-N 3.03Å; W23-T25 VanDerWaalsContact C-N 3.31Å; W23-T25 PolarHBondContact O-N 3.5Å; T25-Q29 WeakPolarHBondContact O-CG 3.42Å; T25-Q29 PolarHBondContact O-N 3.03Å; T25-Q29 VanDerWaalsContact O-N 3.17Å
26S95.8Very high94Very high39 Ų3964.1 Ų64.127%0.27334%0.335SS..Hα-helixtrans-66-41.8176.7-175.90000112.4N22 W23 R24 E28 Q29 C30N22-S26 PolarHBondContact O-N 3Å; N22-S26 VanDerWaalsContact O-N 3.08Å; W23-S26 WeakPolarHBondContact O-CA 3.41Å; W23-S26 WeakPolarHBondContact O-CB 3.44Å; W23-S26 PolarHBondContact O-N 2.79Å; R24-S26 VanDerWaalsContact C-N 3.29Å; R24-S26 PolarHBondContact O-N 3.01Å; S26-E28 PolarHBondContact O-N 3.46Å; S26-Q29 PolarHBondContact O-N 2.93Å; S26-C30 PolarHBondContact O-N 3.35Å; S26-C30 PolarHBondContact O-SG 2.88Å
27F97.1Very high94Very high2 Ų266.5 Ų66.51%0.00934%0.344CS..Hα-helixtrans-59.9-45.2176.4-176.9-89.8000111.9P11 W23 R24 Q29 C30 S31 W36 K41 W44 L45 Y68P11-F27 HydrophobicContact CB-CD2 3.78Å; P11-F27 HydrophobicContact CB-CE2 4.02Å; P11-F27 HydrophobicContact CG-CE2 4.43Å; W23-F27 HydrophobicContact CH2-CB 4.24Å; W23-F27 AromaticContact CH2-CD2 3.8Å; W23-F27 HydrophobicContact CH2-CD2 3.8Å; W23-F27 HydrophobicContact CH2-CE2 4.4Å; W23-F27 HydrophobicContact CH2-CG 4.04Å; W23-F27 HydrophobicContact CZ2-CB 4.29Å; W23-F27 AromaticContact CZ2-CD2 3.79Å; W23-F27 HydrophobicContact CZ2-CD2 3.79Å; W23-F27 HydrophobicContact CZ2-CG 4.29Å; W23-F27 HydrophobicContact CZ3-CB 4.41Å; W23-F27 PolarHBondContact O-N 3.41Å; R24-F27 WeakPolarHBondContact O-CB 3.48Å; R24-F27 PolarHBondContact O-N 3.47Å; F27-Q29 VanDerWaalsContact C-N 3.34Å; F27-Q29 PolarHBondContact O-N 3.38Å; F27-C30 WeakPolarHBondContact O-CB 3.47Å; F27-C30 PolarHBondContact O-N 2.9Å; F27-S31 PolarHBondContact O-N 3.36Å; F27-W36 HydrophobicContact CD2-CZ3 4.47Å; F27-W36 HydrophobicContact CE1-CZ3 4.14Å; F27-W36 HydrophobicContact CE2-CH2 4.33Å; F27-W36 AromaticContact CE2-CZ3 3.82Å; F27-W36 HydrophobicContact CE2-CZ3 3.82Å; F27-W36 HydrophobicContact CZ-CE3 4.33Å; F27-W36 AromaticContact CZ-CZ3 3.62Å; F27-W36 HydrophobicContact CZ-CZ3 3.62Å; F27-K41 WeakPolarHBondContact CZ-O 3.3Å; F27-W44 HydrophobicContact CE2-CB 4.12Å; F27-W44 HydrophobicContact CZ-CB 4.01Å; F27-L45 HydrophobicContact CE1-CB 4.38Å; F27-L45 HydrophobicContact CE2-CB 4.46Å; F27-L45 HydrophobicContact CZ-CB 3.87Å; F27-Y68 HydrophobicContact CD1-CE2 4.26Å; F27-Y68 AromaticContact CE1-CE2 3.7Å; F27-Y68 HydrophobicContact CE1-CE2 3.7Å
28E96.5Very high94.1Very high40 Ų4064 Ų6419%0.18733%0.332CS..Hα-helixtrans-60.2-43.1175.6-66.9-71.7-179.700111.6R24 S26 C30 S31 I32 K41 Y68R24-E28 HydrophobicContact CG-CG 4.39Å; R24-E28 IonicContact NE-OE1 2.93Å; R24-E28 VanDerWaalsContact O-CG 3.28Å; R24-E28 WeakPolarHBondContact O-CG 3.36Å; R24-E28 PolarHBondContact O-N 3.03Å; S26-E28 PolarHBondContact O-N 3.46Å; E28-C30 VanDerWaalsContact C-N 3.35Å; E28-C30 PolarHBondContact O-N 3.3Å; E28-S31 WeakPolarHBondContact O-CB 3.38Å; E28-S31 PolarHBondContact O-N 3.17Å; E28-S31 VanDerWaalsContact O-N 3.15Å; E28-S31 PolarHBondContact O-OG 3.47Å; E28-I32 WeakPolarHBondContact O-CG1 3.29Å; E28-I32 PolarHBondContact O-N 3.46Å; E28-K41 IonicContact OE2-NZ 2.65Å; E28-Y68 WeakPolarHBondContact OE1-CE1 3.26Å; E28-Y68 VanDerWaalsContact OE1-CZ 3.24Å; E28-Y68 PolarHBondContact OE1-OH 3.43Å
29Q96.5Very high94.4Very high106 Ų10667 Ų6750%0.49533%0.327SS..Hα-helixtrans-62.7-41.3175.5-66.9-58.7-43.400112T25 S26 F27 S31 I32 L33T25-Q29 WeakPolarHBondContact O-CG 3.42Å; T25-Q29 PolarHBondContact O-N 3.03Å; T25-Q29 VanDerWaalsContact O-N 3.17Å; S26-Q29 PolarHBondContact O-N 2.93Å; F27-Q29 VanDerWaalsContact C-N 3.34Å; F27-Q29 PolarHBondContact O-N 3.38Å; Q29-S31 VanDerWaalsContact C-N 3.28Å; Q29-S31 PolarHBondContact O-N 3.05Å; Q29-I32 PolarHBondContact O-N 2.92Å; Q29-L33 WeakPolarHBondContact O-CG 3.38Å; Q29-L33 PolarHBondContact O-N 3.11Å
30C95.6Very high94.6Very high10 Ų1068.1 Ų68.17%0.06833%0.331CS..Hα-helixtrans-60.1-40.5173.6-65.30000111.2S26 F27 E28 I32 L33 N34 W36S26-C30 PolarHBondContact O-N 3.35Å; S26-C30 PolarHBondContact O-SG 2.88Å; F27-C30 WeakPolarHBondContact O-CB 3.47Å; F27-C30 PolarHBondContact O-N 2.9Å; E28-C30 VanDerWaalsContact C-N 3.35Å; E28-C30 PolarHBondContact O-N 3.3Å; C30-I32 VanDerWaalsContact C-N 3.34Å; C30-I32 PolarHBondContact O-N 2.82Å; C30-L33 PolarHBondContact O-N 3.27Å; C30-N34 WeakPolarHBondContact O-CB 3.42Å; C30-N34 PolarHBondContact O-N 2.95Å; C30-N34 PolarHBondContact O-ND2 3.42Å; C30-N34 VanDerWaalsContact O-ND2 3.09Å; C30-W36 HydrophobicContact CB-CH2 4.46Å
31S95.3Very high94.6Very high3 Ų369 Ų692%0.02134%0.335CS..Hα-helixtrans-61.8-40.3177.785.40000112.7F27 E28 Q29 R35 W36 K41F27-S31 PolarHBondContact O-N 3.36Å; E28-S31 WeakPolarHBondContact O-CB 3.38Å; E28-S31 PolarHBondContact O-N 3.17Å; E28-S31 VanDerWaalsContact O-N 3.15Å; E28-S31 PolarHBondContact O-OG 3.47Å; Q29-S31 VanDerWaalsContact C-N 3.28Å; Q29-S31 PolarHBondContact O-N 3.05Å; S31-R35 WeakPolarHBondContact O-CA 3.48Å; S31-R35 PolarHBondContact O-N 2.9Å; S31-W36 VanDerWaalsContact CA-CE3 3.44Å; S31-W36 PolarHBondContact O-N 3.47Å; S31-K41 WeakPolarHBondContact OG-CE 3.46Å
32I95.6Very high94.8Very high108 Ų10865.2 Ų65.255%0.55432%0.318SS*.Hα-helixtrans-66.2-46.6177.5-66.5165.8000110.2E28 Q29 C30 N34 R35E28-I32 WeakPolarHBondContact O-CG1 3.29Å; E28-I32 PolarHBondContact O-N 3.46Å; Q29-I32 PolarHBondContact O-N 2.92Å; C30-I32 VanDerWaalsContact C-N 3.34Å; C30-I32 PolarHBondContact O-N 2.82Å; I32-N34 VanDerWaalsContact C-N 3.32Å; I32-N34 PolarHBondContact O-N 2.89Å; I32-R35 PolarHBondContact O-N 3.29Å; I32-R35 VanDerWaalsContact O-N 3.16Å
33L94.7Very high94.9Very high111 Ų11165.5 Ų65.558%0.58132%0.316SS*.Hα-helixtrans-63-39.1179.7-70.4173.4000112.2V9 Q29 C30 R35V9-L33 HydrophobicContact CG2-CD1 4.2Å; Q29-L33 WeakPolarHBondContact O-CG 3.38Å; Q29-L33 PolarHBondContact O-N 3.11Å; C30-L33 PolarHBondContact O-N 3.27Å; L33-R35 VanDerWaalsContact C-N 3.32Å
34N94.5Very high94.8Very high24 Ų2467.4 Ų67.413%0.12832%0.323CS..Hα-helixtrans-84.3-5.3177.7-65.7-39.6000113.9V8 V9 C30 I32 W36V8-N34 WeakPolarHBondContact CA-OD1 3.45Å; V8-N34 WeakPolarHBondContact CB-OD1 3.17Å; V8-N34 PolarHBondContact N-OD1 2.9Å; V9-N34 PolarHBondContact N-OD1 3.1Å; V9-N34 PolarHBondContact O-ND2 2.9Å; C30-N34 WeakPolarHBondContact O-CB 3.42Å; C30-N34 PolarHBondContact O-N 2.95Å; C30-N34 PolarHBondContact O-ND2 3.42Å; C30-N34 VanDerWaalsContact O-ND2 3.09Å; I32-N34 VanDerWaalsContact C-N 3.32Å; I32-N34 PolarHBondContact O-N 2.89Å; N34-W36 VanDerWaalsContact C-N 3.25Å; N34-W36 VanDerWaalsContact CB-CD1 3.41Å; N34-W36 HydrophobicContact CB-CD2 4.15Å; N34-W36 HydrophobicContact CB-CG 4.01Å; N34-W36 HydrophobicContact CB-CZ2 4.22Å; N34-W36 WeakPolarHBondContact ND2-CZ2 3.41Å; N34-W36 PolarHBondContact O-N 3Å
35R94.7Very high94.8Very high226 Ų22664.5 Ų64.585%0.85331%0.312SS*.THydrogen-bonded Turntrans54.541.1-176.9-53.2178.9-179.2-179.9-0.8112.9S31 I32 L33S31-R35 WeakPolarHBondContact O-CA 3.48Å; S31-R35 PolarHBondContact O-N 2.9Å; I32-R35 PolarHBondContact O-N 3.29Å; I32-R35 VanDerWaalsContact O-N 3.16Å; L33-R35 VanDerWaalsContact C-N 3.32Å
36W93.8Very high94.8Very high28 Ų2862.9 Ų62.911%0.10631%0.306CS..  trans-62.8137.8179.7-73.5-12.6000111.8P7 P11 F27 C30 S31 N34 D40 K41 W44P7-W36 HydrophobicContact CB-CZ2 4.31Å; P11-W36 HydrophobicContact CB-CH2 4.1Å; P11-W36 HydrophobicContact CG-CH2 3.81Å; F27-W36 HydrophobicContact CD2-CZ3 4.47Å; F27-W36 HydrophobicContact CE1-CZ3 4.14Å; F27-W36 HydrophobicContact CE2-CH2 4.33Å; F27-W36 AromaticContact CE2-CZ3 3.82Å; F27-W36 HydrophobicContact CE2-CZ3 3.82Å; F27-W36 HydrophobicContact CZ-CE3 4.33Å; F27-W36 AromaticContact CZ-CZ3 3.62Å; F27-W36 HydrophobicContact CZ-CZ3 3.62Å; C30-W36 HydrophobicContact CB-CH2 4.46Å; S31-W36 VanDerWaalsContact CA-CE3 3.44Å; S31-W36 PolarHBondContact O-N 3.47Å; N34-W36 VanDerWaalsContact C-N 3.25Å; N34-W36 VanDerWaalsContact CB-CD1 3.41Å; N34-W36 HydrophobicContact CB-CD2 4.15Å; N34-W36 HydrophobicContact CB-CG 4.01Å; N34-W36 HydrophobicContact CB-CZ2 4.22Å; N34-W36 WeakPolarHBondContact ND2-CZ2 3.41Å; N34-W36 PolarHBondContact O-N 3Å; W36-D40 HydrophobicContact CB-CB 3.7Å; W36-D40 HydrophobicContact CG-CB 3.8Å; W36-K41 HydrophobicContact CB-CG 4.01Å; W36-K41 HydrophobicContact CE3-CG 4.13Å; W36-W44 HydrophobicContact CD2-CB 4.48Å; W36-W44 AromaticContact CD2-CD1 3.73Å; W36-W44 HydrophobicContact CD2-CG 4.21Å; W36-W44 AromaticContact CE2-CD1 3.28Å; W36-W44 AromaticContact CE2-CG 3.73Å; W36-W44 AromaticContact CE2-NE1 3.61Å; W36-W44 HydrophobicContact CE3-CB 4.04Å; W36-W44 HydrophobicContact CE3-CG 4.24Å; W36-W44 HydrophobicContact CH2-CB 3.51Å; W36-W44 AromaticContact CH2-CD1 3.92Å; W36-W44 AromaticContact CH2-CD2 3.92Å; W36-W44 HydrophobicContact CH2-CD2 3.92Å; W36-W44 HydrophobicContact CH2-CE3 4.45Å; W36-W44 AromaticContact CH2-CG 3.47Å; W36-W44 HydrophobicContact CH2-CG 3.47Å; W36-W44 VanDerWaalsContact CH2-CG 3.47Å; W36-W44 HydrophobicContact CZ2-CB 3.94Å; W36-W44 AromaticContact CZ2-CD1 3.4Å; W36-W44 AromaticContact CZ2-CD2 3.6Å; W36-W44 HydrophobicContact CZ2-CD2 3.6Å; W36-W44 AromaticContact CZ2-CE2 3.85Å; W36-W44 HydrophobicContact CZ2-CE3 4.36Å; W36-W44 AromaticContact CZ2-CG 3.35Å; W36-W44 HydrophobicContact CZ2-CG 3.35Å; W36-W44 AromaticContact CZ2-NE1 3.69Å; W36-W44 HydrophobicContact CZ3-CB 3.56Å; W36-W44 AromaticContact CZ3-CG 3.91Å; W36-W44 HydrophobicContact CZ3-CG 3.91Å; W36-W44 AromaticContact NE1-CD1 3.58Å; W36-W44 AromaticContact NE1-NE1 3.53Å
37T93.8Very high94.8Very high77 Ų7765.7 Ų65.747%0.47232%0.322SS..  trans-70.2166.6162670000110.2Q39 D40 K41T37-Q39 PolarHBondContact O-N 2.81Å; T37-D40 WeakPolarHBondContact CB-OD2 3.37Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.25Å; T37-D40 PolarHBondContact N-OD2 3.24Å; T37-D40 PolarHBondContact O-N 2.97Å; T37-D40 VanDerWaalsContact O-N 3.12Å; T37-D40 PolarHBondContact OG1-N 3.44Å; T37-D40 VanDerWaalsContact OG1-N 3.15Å; T37-D40 PolarHBondContact OG1-OD2 3.22Å; T37-K41 WeakPolarHBondContact O-CG 3.46Å; T37-K41 PolarHBondContact O-N 3.05Å
38E92.9Very high94.7Very high101 Ų10165.8 Ų65.847%0.47232%0.322SS..Hα-helixtrans-59.3-31.7174.5-68.4-60123.100112.4K41 L42 Y68E38-K41 WeakPolarHBondContact OE1-CE 3.29Å; E38-K41 IonicContact OE1-NZ 3.88Å; E38-K41 PolarHBondContact OE1-NZ 2.98Å; E38-L42 PolarHBondContact O-N 3.16Å; E38-L42 VanDerWaalsContact O-N 3.15Å; E38-Y68 WeakPolarHBondContact OE2-CB 3.26Å
39Q92.3Very high94.8Very high134 Ų13464.3 Ų64.363%0.62632%0.316SS*.Hα-helixtrans-70.5-41.9174.5-173.4175.72.600111.9T37 K41 L42 Q43T37-Q39 PolarHBondContact O-N 2.81Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.43Å; Q39-L42 PolarHBondContact O-N 3.25Å; Q39-Q43 WeakPolarHBondContact O-CG 3.22Å; Q39-Q43 PolarHBondContact O-N 3.46Å; Q39-Q43 VanDerWaalsContact O-N 3.11Å
40D93.3Very high94.8Very high55 Ų5561.8 Ų61.829%0.29431%0.308SS..Hα-helixtrans-61.6-43.2174.8-61.5-48000110.4W36 T37 L42 Q43 W44W36-D40 HydrophobicContact CB-CB 3.7Å; W36-D40 HydrophobicContact CG-CB 3.8Å; T37-D40 WeakPolarHBondContact CB-OD2 3.37Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.25Å; T37-D40 PolarHBondContact N-OD2 3.24Å; T37-D40 PolarHBondContact O-N 2.97Å; T37-D40 VanDerWaalsContact O-N 3.12Å; T37-D40 PolarHBondContact OG1-N 3.44Å; T37-D40 VanDerWaalsContact OG1-N 3.15Å; T37-D40 PolarHBondContact OG1-OD2 3.22Å; D40-L42 VanDerWaalsContact C-N 3.32Å; D40-L42 PolarHBondContact O-N 3.25Å; D40-Q43 PolarHBondContact O-N 2.98Å; D40-W44 WeakPolarHBondContact O-CB 3.08Å; D40-W44 PolarHBondContact O-N 2.86Å
41K94.9Very high94.9Very high30 Ų3063.9 Ų63.913%0.1333%0.331CS..Hα-helixtrans-56.4-45.4175.8-73.4-179.8-176.21760111.8F27 E28 S31 W36 T37 E38 Q39 W44 L45 Y68F27-K41 WeakPolarHBondContact CZ-O 3.3Å; E28-K41 IonicContact OE2-NZ 2.65Å; S31-K41 WeakPolarHBondContact OG-CE 3.46Å; W36-K41 HydrophobicContact CB-CG 4.01Å; W36-K41 HydrophobicContact CE3-CG 4.13Å; T37-K41 WeakPolarHBondContact O-CG 3.46Å; T37-K41 PolarHBondContact O-N 3.05Å; E38-K41 WeakPolarHBondContact OE1-CE 3.29Å; E38-K41 IonicContact OE1-NZ 3.88Å; E38-K41 PolarHBondContact OE1-NZ 2.98Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.43Å; K41-W44 PolarHBondContact O-N 3.28Å; K41-L45 WeakPolarHBondContact O-CB 3.47Å; K41-L45 PolarHBondContact O-N 2.82Å; K41-Y68 HydrophobicContact CB-CD2 3.79Å; K41-Y68 HydrophobicContact CB-CE2 4.21Å; K41-Y68 HydrophobicContact CB-CG 4.12Å; K41-Y68 HydrophobicContact CD-CD1 4.14Å; K41-Y68 HydrophobicContact CD-CD2 4.48Å; K41-Y68 HydrophobicContact CD-CE1 4.3Å; K41-Y68 HydrophobicContact CD-CG 4.23Å
42L94.6Very high94.9Very high28 Ų2869.5 Ų69.515%0.14736%0.361CS..Hα-helixtrans-61.2-45.2177.6-85.2173.7000112.7E38 Q39 D40 L45 A46 E66 C71E38-L42 PolarHBondContact O-N 3.16Å; E38-L42 VanDerWaalsContact O-N 3.15Å; Q39-L42 PolarHBondContact O-N 3.25Å; D40-L42 VanDerWaalsContact C-N 3.32Å; D40-L42 PolarHBondContact O-N 3.25Å; L42-L45 PolarHBondContact O-N 3.04Å; L42-A46 PolarHBondContact O-N 2.86Å; L42-E66 WeakPolarHBondContact CD1-O 3.48Å; L42-C71 HydrophobicContact CD2-CB 3.9Å
43Q93.2Very high94.9Very high107 Ų10764.3 Ų64.350%0.533%0.334SS..Hα-helixtrans-64.7-46.3178.8-69.5178.8-9.300111.1Q39 D40 L45 A46 V47Q39-Q43 WeakPolarHBondContact O-CG 3.22Å; Q39-Q43 PolarHBondContact O-N 3.46Å; Q39-Q43 VanDerWaalsContact O-N 3.11Å; D40-Q43 PolarHBondContact O-N 2.98Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.45Å; Q43-A46 PolarHBondContact O-N 3.4Å; Q43-V47 PolarHBondContact O-N 2.86Å
44W95Very high95Very high55 Ų5561 Ų6121%0.20832%0.322CS..Hα-helixtrans-65.5-36.3177.5-81107000112.5P7 M10 P11 F27 W36 D40 K41 V47 S48P7-W44 HydrophobicContact CB-CZ2 4.23Å; P7-W44 HydrophobicContact CG-CH2 3.63Å; P7-W44 HydrophobicContact CG-CZ2 3.53Å; M10-W44 HydrophobicContact CE-CH2 3.69Å; M10-W44 HydrophobicContact CE-CZ3 3.48Å; M10-W44 VanDerWaalsContact CE-CZ3 3.48Å; M10-W44 HydrophobicContact SD-CH2 3.98Å; M10-W44 HydrophobicContact SD-CZ3 4.23Å; P11-W44 HydrophobicContact CG-CD2 4.44Å; P11-W44 HydrophobicContact CG-CE3 3.67Å; P11-W44 HydrophobicContact CG-CZ3 4.25Å; F27-W44 HydrophobicContact CE2-CB 4.12Å; F27-W44 HydrophobicContact CZ-CB 4.01Å; W36-W44 HydrophobicContact CD2-CB 4.48Å; W36-W44 AromaticContact CD2-CD1 3.73Å; W36-W44 HydrophobicContact CD2-CG 4.21Å; W36-W44 AromaticContact CE2-CD1 3.28Å; W36-W44 AromaticContact CE2-CG 3.73Å; W36-W44 AromaticContact CE2-NE1 3.61Å; W36-W44 HydrophobicContact CE3-CB 4.04Å; W36-W44 HydrophobicContact CE3-CG 4.24Å; W36-W44 HydrophobicContact CH2-CB 3.51Å; W36-W44 AromaticContact CH2-CD1 3.92Å; W36-W44 AromaticContact CH2-CD2 3.92Å; W36-W44 HydrophobicContact CH2-CD2 3.92Å; W36-W44 HydrophobicContact CH2-CE3 4.45Å; W36-W44 AromaticContact CH2-CG 3.47Å; W36-W44 HydrophobicContact CH2-CG 3.47Å; W36-W44 VanDerWaalsContact CH2-CG 3.47Å; W36-W44 HydrophobicContact CZ2-CB 3.94Å; W36-W44 AromaticContact CZ2-CD1 3.4Å; W36-W44 AromaticContact CZ2-CD2 3.6Å; W36-W44 HydrophobicContact CZ2-CD2 3.6Å; W36-W44 AromaticContact CZ2-CE2 3.85Å; W36-W44 HydrophobicContact CZ2-CE3 4.36Å; W36-W44 AromaticContact CZ2-CG 3.35Å; W36-W44 HydrophobicContact CZ2-CG 3.35Å; W36-W44 AromaticContact CZ2-NE1 3.69Å; W36-W44 HydrophobicContact CZ3-CB 3.56Å; W36-W44 AromaticContact CZ3-CG 3.91Å; W36-W44 HydrophobicContact CZ3-CG 3.91Å; W36-W44 AromaticContact NE1-CD1 3.58Å; W36-W44 AromaticContact NE1-NE1 3.53Å; D40-W44 WeakPolarHBondContact O-CB 3.08Å; D40-W44 PolarHBondContact O-N 2.86Å; K41-W44 PolarHBondContact O-N 3.28Å; W44-V47 HydrophobicContact CD2-CG2 4.42Å; W44-V47 HydrophobicContact CE3-CG2 3.66Å; W44-V47 HydrophobicContact CZ3-CG2 4.09Å; W44-V47 VanDerWaalsContact O-CG2 3.32Å; W44-V47 WeakPolarHBondContact O-CG2 3.25Å; W44-V47 PolarHBondContact O-N 3.26Å; W44-S48 VanDerWaalsContact O-CB 3.26Å; W44-S48 WeakPolarHBondContact O-CB 3.38Å; W44-S48 PolarHBondContact O-N 3.41Å; W44-S48 PolarHBondContact O-OG 3.14Å
45L96.1Very high95.1Very high0 Ų067.2 Ų67.20%034%0.344CS..Hα-helixtrans-58.9-53.3173.6176.161.1000109.4W23 F27 K41 L42 Q43 V47 S48 L49 Y68 C71 I72 L75W23-L45 HydrophobicContact CH2-CD1 3.64Å; W23-L45 HydrophobicContact CZ3-CD1 3.94Å; F27-L45 HydrophobicContact CE1-CB 4.38Å; F27-L45 HydrophobicContact CE2-CB 4.46Å; F27-L45 HydrophobicContact CZ-CB 3.87Å; K41-L45 WeakPolarHBondContact O-CB 3.47Å; K41-L45 PolarHBondContact O-N 2.82Å; L42-L45 PolarHBondContact O-N 3.04Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.45Å; L45-V47 VanDerWaalsContact C-N 3.31Å; L45-V47 PolarHBondContact O-N 2.98Å; L45-S48 PolarHBondContact O-N 3.33Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-L49 HydrophobicContact CD1-CD1 3.98Å; L45-L49 HydrophobicContact CD1-CD2 4.3Å; L45-L49 HydrophobicContact CD1-CG 4.22Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.73Å; L45-Y68 HydrophobicContact CD2-CD2 3.97Å; L45-Y68 HydrophobicContact CD2-CE2 3.95Å; L45-C71 HydrophobicContact CD2-CB 4.23Å; L45-C71 VanDerWaalsContact CD2-SG 3.6Å; L45-I72 HydrophobicContact CD1-CD1 4.18Å; L45-I72 HydrophobicContact CD2-CD1 3.96Å; L45-I72 HydrophobicContact CD2-CG1 4.33Å; L45-L75 HydrophobicContact CD1-CD1 4.15Å; L45-L75 HydrophobicContact CD2-CD1 4.07Å; L45-L75 HydrophobicContact CG-CD1 4.33Å
46A95.1Very high95.2Very high37 Ų3756.5 Ų56.531%0.30630%0.304SS..Hα-helixtrans-57.8-39.4-178.100000113.6L42 Q43 F57L42-A46 PolarHBondContact O-N 2.86Å; Q43-A46 PolarHBondContact O-N 3.4Å; A46-F57 HydrophobicContact CB-CE1 3.86Å; A46-F57 HydrophobicContact CB-CE2 4.15Å; A46-F57 HydrophobicContact CB-CZ 3.58Å
47V94.9Very high95.4Very high98 Ų9856.9 Ų56.959%0.59431%0.306SS*.Hα-helixtrans-82.6-17.5179.7-57.40000114Q43 W44 L45Q43-V47 PolarHBondContact O-N 2.86Å; W44-V47 HydrophobicContact CD2-CG2 4.42Å; W44-V47 HydrophobicContact CE3-CG2 3.66Å; W44-V47 HydrophobicContact CZ3-CG2 4.09Å; W44-V47 VanDerWaalsContact O-CG2 3.32Å; W44-V47 WeakPolarHBondContact O-CG2 3.25Å; W44-V47 PolarHBondContact O-N 3.26Å; L45-V47 VanDerWaalsContact C-N 3.31Å; L45-V47 PolarHBondContact O-N 2.98Å
48S96.5Very high95.5Very high4 Ų455 Ų553%0.02830%0.302CS..Hα-helixtrans-86.4-17.4178.3-550000112.1P11 T13 Y14 W44 L45P11-S48 WeakPolarHBondContact CG-OG 3.36Å; T13-S48 CarbonylContact C-O 3.6Å; T13-S48 WeakPolarHBondContact CA-O 3.43Å; Y14-S48 PolarHBondContact N-O 2.91Å; W44-S48 VanDerWaalsContact O-CB 3.26Å; W44-S48 WeakPolarHBondContact O-CB 3.38Å; W44-S48 PolarHBondContact O-N 3.41Å; W44-S48 PolarHBondContact O-OG 3.14Å; L45-S48 PolarHBondContact O-N 3.33Å; L45-S48 VanDerWaalsContact O-N 3.11Å
49L97.4Very high95.7Very high8 Ų855.1 Ų55.14%0.04230%0.303CS..BIsolated β-bridgetrans-83.6132.2177.3-59.3168.6000109.8Y14 W20 W23 L45 A53 F57 L75Y14-L49 HydrophobicContact CD1-CD2 4.19Å; Y14-L49 WeakPolarHBondContact O-CA 3.28Å; W20-L49 HydrophobicContact CH2-CD2 4.45Å; W20-L49 HydrophobicContact CZ3-CD2 4.08Å; W23-L49 HydrophobicContact CH2-CD2 3.9Å; W23-L49 HydrophobicContact CZ2-CD2 4.45Å; W23-L49 HydrophobicContact CZ3-CD2 4.14Å; L45-L49 HydrophobicContact CD1-CD1 3.98Å; L45-L49 HydrophobicContact CD1-CD2 4.3Å; L45-L49 HydrophobicContact CD1-CG 4.22Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.73Å; L49-A53 HydrophobicContact CB-CB 4.25Å; L49-A53 HydrophobicContact CD2-CB 3.91Å; L49-F57 HydrophobicContact CD1-CB 3.85Å; L49-F57 HydrophobicContact CD1-CD2 3.84Å; L49-F57 HydrophobicContact CD1-CG 4.08Å; L49-L75 HydrophobicContact CD1-CD1 3.7Å; L49-L75 HydrophobicContact CD1-CD2 4.29Å
50T97.5Very high95.9Very high54 Ų5449 Ų4933%0.33127%0.274SS..  trans-131.2174178.753.80000109.5T13 Y14 D15 D52 A53 A54T13-T50 HydrophobicContact CG2-CG2 4.35Å; Y14-T50 PolarHBondContact O-N 3.22Å; Y14-T50 PolarHBondContact O-OG1 3.44Å; D15-T50 CarbonylContact C-O 3.53Å; D15-T50 VanDerWaalsContact CA-O 3.28Å; D15-T50 WeakPolarHBondContact CA-O 3.45Å; D15-T50 WeakPolarHBondContact CA-OG1 3.35Å; T50-D52 PolarHBondContact O-N 2.84Å; T50-A53 WeakPolarHBondContact O-CB 3.37Å; T50-A53 PolarHBondContact O-N 2.74Å; T50-A53 VanDerWaalsContact O-N 3.09Å; T50-A54 PolarHBondContact O-N 3.29Å
51G96.5Very high96.1Very high54 Ų5449.7 Ų49.756%0.55728%0.281SS*.Hα-helixtrans53.5-134.3172.400000114.6A53 A54 W55G51-A53 VanDerWaalsContact C-N 3.25Å; G51-A53 PolarHBondContact O-N 2.91Å; G51-A54 PolarHBondContact O-N 3.01Å; G51-W55 PolarHBondContact O-N 2.88Å; G51-W55 VanDerWaalsContact O-N 3.11Å
52D95Very high96.1Very high120 Ų12052 Ų5264%0.64231%0.305SS*.Hα-helixtrans-64.2-30.9178.5-71.4-11.5000112D15 T50 W55 A56D15-D52 PolarHBondContact O-N 3.17Å; T50-D52 PolarHBondContact O-N 2.84Å; D52-W55 WeakPolarHBondContact O-CB 3.32Å; D52-W55 PolarHBondContact O-N 3.4Å; D52-A56 WeakPolarHBondContact O-CB 3.41Å; D52-A56 PolarHBondContact O-N 3.42Å
53A96.8Very high96.1Very high0 Ų057.5 Ų57.50%033%0.33CS..Hα-helixtrans-67.8-38.8175.700000112.9Y14 D15 L49 T50 G51 W55 A56 F57 L79Y14-A53 HydrophobicContact CD1-CB 3.61Å; Y14-A53 HydrophobicContact CE1-CB 4.04Å; Y14-A53 WeakPolarHBondContact O-CB 3.48Å; D15-A53 PolarHBondContact O-N 2.96Å; D15-A53 VanDerWaalsContact O-N 3.17Å; L49-A53 HydrophobicContact CB-CB 4.25Å; L49-A53 HydrophobicContact CD2-CB 3.91Å; T50-A53 WeakPolarHBondContact O-CB 3.37Å; T50-A53 PolarHBondContact O-N 2.74Å; T50-A53 VanDerWaalsContact O-N 3.09Å; G51-A53 VanDerWaalsContact C-N 3.25Å; G51-A53 PolarHBondContact O-N 2.91Å; A53-W55 VanDerWaalsContact C-N 3.35Å; A53-A56 PolarHBondContact O-N 3.43Å; A53-F57 PolarHBondContact O-N 2.91Å; A53-L79 HydrophobicContact CB-CD1 4.31Å; A53-L79 HydrophobicContact CB-CD2 4.28Å
54A96.9Very high96.1Very high40 Ų4055.5 Ų55.533%0.33132%0.321SS..Hα-helixtrans-65.7-39.8171.900000111.4T50 G51 F57 G58T50-A54 PolarHBondContact O-N 3.29Å; G51-A54 PolarHBondContact O-N 3.01Å; A54-F57 PolarHBondContact O-N 3.25Å; A54-G58 PolarHBondContact O-N 3.46Å
55W96.7Very high96.1Very high156 Ų15657.6 Ų57.659%0.59133%0.329SS*.Hα-helixtrans-59.4-46.4173.7174.787.5000111.5G51 D52 A53 F57 G58 Q59G51-W55 PolarHBondContact O-N 2.88Å; G51-W55 VanDerWaalsContact O-N 3.11Å; D52-W55 WeakPolarHBondContact O-CB 3.32Å; D52-W55 PolarHBondContact O-N 3.4Å; A53-W55 VanDerWaalsContact C-N 3.35Å; W55-F57 PolarHBondContact O-N 2.75Å; W55-G58 WeakPolarHBondContact O-CA 3.4Å; W55-G58 PolarHBondContact O-N 2.95Å; W55-G58 VanDerWaalsContact O-N 3.07Å; W55-Q59 HydrophobicContact CD2-CG 4.19Å; W55-Q59 HydrophobicContact CE3-CG 4.27Å; W55-Q59 HydrophobicContact CH2-CG 3.89Å; W55-Q59 HydrophobicContact CZ2-CG 3.8Å; W55-Q59 HydrophobicContact CZ3-CG 4.13Å; W55-Q59 WeakPolarHBondContact O-CG 3.24Å; W55-Q59 PolarHBondContact O-N 3.34Å; W55-Q59 PolarHBondContact O-NE2 3.39Å
56A96.6Very high96Very high0 Ų064.5 Ų64.50%036%0.361CS..Hα-helixtrans-61.5-42.8177.700000112.3D52 A53 G58 Q59 L75 L78 L79D52-A56 WeakPolarHBondContact O-CB 3.41Å; D52-A56 PolarHBondContact O-N 3.42Å; A53-A56 PolarHBondContact O-N 3.43Å; A56-G58 PolarHBondContact O-N 2.92Å; A56-Q59 WeakPolarHBondContact O-CB 3.38Å; A56-Q59 PolarHBondContact O-N 2.73Å; A56-L75 HydrophobicContact CB-CD2 4.26Å; A56-L78 HydrophobicContact CB-CB 3.98Å; A56-L78 HydrophobicContact CB-CD1 4.17Å; A56-L78 VanDerWaalsContact O-CD1 3.3Å; A56-L78 WeakPolarHBondContact O-CD1 3.38Å; A56-L79 HydrophobicContact CB-CD2 3.64Å; A56-L79 HydrophobicContact CB-CG 3.97Å
57F97Very high96Very high36 Ų3664.9 Ų64.916%0.15836%0.362CS..Hα-helixtrans-58.2-39172.7-177-94.8000112.1A46 L49 A53 A54 W55 Q59 L60 R65 C71 L75A46-F57 HydrophobicContact CB-CE1 3.86Å; A46-F57 HydrophobicContact CB-CE2 4.15Å; A46-F57 HydrophobicContact CB-CZ 3.58Å; L49-F57 HydrophobicContact CD1-CB 3.85Å; L49-F57 HydrophobicContact CD1-CD2 3.84Å; L49-F57 HydrophobicContact CD1-CG 4.08Å; A53-F57 PolarHBondContact O-N 2.91Å; A54-F57 PolarHBondContact O-N 3.25Å; W55-F57 PolarHBondContact O-N 2.75Å; F57-Q59 PolarHBondContact O-N 3.09Å; F57-L60 HydrophobicContact CD2-CD1 4.06Å; F57-L60 WeakPolarHBondContact O-CB 3.49Å; F57-L60 WeakPolarHBondContact O-CG 3.37Å; F57-L60 PolarHBondContact O-N 2.98Å; F57-R65 HydrophobicContact CE2-CG 4.45Å; F57-R65 HydrophobicContact CZ-CG 4.31Å; F57-C71 WeakPolarHBondContact CE2-SG 3.48Å; F57-L75 HydrophobicContact CB-CD2 3.96Å; F57-L75 HydrophobicContact CD2-CD1 4.39Å; F57-L75 HydrophobicContact CD2-CD2 4.39Å
58G96.4Very high96Very high38 Ų3860.8 Ų60.839%0.39234%0.336SS..Hα-helixtrans-62.5-26.717500000114.3A54 W55 A56 R65A54-G58 PolarHBondContact O-N 3.46Å; W55-G58 WeakPolarHBondContact O-CA 3.4Å; W55-G58 PolarHBondContact O-N 2.95Å; W55-G58 VanDerWaalsContact O-N 3.07Å; A56-G58 PolarHBondContact O-N 2.92Å; G58-R65 PolarHBondContact O-NH2 3Å
59Q96.9Very high96Very high104 Ų10465.4 Ų65.449%0.48636%0.36SS..Hα-helixtrans-80.8-14.4178.7-56.8-45.6-64.900113.7W55 A56 F57 L78W55-Q59 HydrophobicContact CD2-CG 4.19Å; W55-Q59 HydrophobicContact CE3-CG 4.27Å; W55-Q59 HydrophobicContact CH2-CG 3.89Å; W55-Q59 HydrophobicContact CZ2-CG 3.8Å; W55-Q59 HydrophobicContact CZ3-CG 4.13Å; W55-Q59 WeakPolarHBondContact O-CG 3.24Å; W55-Q59 PolarHBondContact O-N 3.34Å; W55-Q59 PolarHBondContact O-NE2 3.39Å; A56-Q59 WeakPolarHBondContact O-CB 3.38Å; A56-Q59 PolarHBondContact O-N 2.73Å; F57-Q59 PolarHBondContact O-N 3.09Å; Q59-L78 HydrophobicContact CB-CD1 3.95Å
60L97.2Very high95.9Very high4 Ų467.4 Ų67.42%0.02137%0.374CS..SBendtrans-66.8143.3-179.4-59.7-180000111.4F57 Q64 R65 C71 L75 L78F57-L60 HydrophobicContact CD2-CD1 4.06Å; F57-L60 WeakPolarHBondContact O-CB 3.49Å; F57-L60 WeakPolarHBondContact O-CG 3.37Å; F57-L60 PolarHBondContact O-N 2.98Å; L60-Q64 HydrophobicContact CB-CB 4.05Å; L60-R65 HydrophobicContact CB-CG 3.88Å; L60-R65 HydrophobicContact CD1-CG 4.22Å; L60-R65 PolarHBondContact O-NE 3.35Å; L60-R65 VanDerWaalsContact O-NE 3.1Å; L60-R65 PolarHBondContact O-NH2 3.35Å; L60-C71 VanDerWaalsContact CD1-SG 3.55Å; L60-L75 HydrophobicContact CD1-CD2 4.01Å; L60-L75 HydrophobicContact CD1-CG 3.97Å; L60-L78 HydrophobicContact CD2-CD1 3.84Å
61T96.4Very high95.9Very high70 Ų7064.8 Ų64.843%0.42936%0.358SS..  trans-65.8164.9172.668.30000111.2E63 Q64 R65T61-E63 VanDerWaalsContact C-N 3.3Å; T61-E63 PolarHBondContact O-N 3.5Å; T61-Q64 PolarHBondContact O-N 3.31Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.38Å; T61-Q64 PolarHBondContact OG1-N 3.46Å; T61-R65 PolarHBondContact O-N 2.99Å
62A94.7Very high95.9Very high78 Ų7862.3 Ų62.365%0.64533%0.332SS*.THydrogen-bonded Turntrans-57.3-46.9174.100000111Q64 R65 E66A62-Q64 VanDerWaalsContact C-N 3.32Å; A62-Q64 PolarHBondContact O-N 3.14Å; A62-R65 WeakPolarHBondContact O-CA 3.42Å; A62-R65 PolarHBondContact O-N 3.04Å; A62-E66 PolarHBondContact O-N 3.35Å
63E94.5Very high96Very high144 Ų14460.4 Ų60.467%0.67333%0.325SS*.G310 helixtrans-55.4-43.4176.8-63.6167.4-171.300112.1T61 R65 E66T61-E63 VanDerWaalsContact C-N 3.3Å; T61-E63 PolarHBondContact O-N 3.5Å; E63-R65 PolarHBondContact O-N 2.87Å; E63-E66 WeakPolarHBondContact O-CB 3.32Å; E63-E66 PolarHBondContact O-N 3.3Å
64Q94.5Very high95.9Very high66 Ų6660.5 Ų60.531%0.30833%0.326SS..G310 helixtrans-65.4-25.1177.2-75.3175.4-44.400112.8L60 T61 A62 S70 C71L60-Q64 HydrophobicContact CB-CB 4.05Å; T61-Q64 PolarHBondContact O-N 3.31Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.38Å; T61-Q64 PolarHBondContact OG1-N 3.46Å; A62-Q64 VanDerWaalsContact C-N 3.32Å; A62-Q64 PolarHBondContact O-N 3.14Å; Q64-S70 CarbonylContact O-C 3.47Å; Q64-S70 VanDerWaalsContact O-C 3.28Å; Q64-S70 WeakPolarHBondContact O-CB 3.35Å; Q64-C71 WeakPolarHBondContact O-CA 3.45Å; Q64-C71 WeakPolarHBondContact O-CB 3.45Å; Q64-C71 PolarHBondContact O-N 2.86Å
65R94.5Very high95.9Very high99 Ų9958.6 Ų58.637%0.37431%0.31SS..G310 helixtrans-91.60.4179.2-64.1-173.9-128.8-176.6-4.8113.7F57 G58 L60 T61 A62 E63F57-R65 HydrophobicContact CE2-CG 4.45Å; F57-R65 HydrophobicContact CZ-CG 4.31Å; G58-R65 PolarHBondContact O-NH2 3Å; L60-R65 HydrophobicContact CB-CG 3.88Å; L60-R65 HydrophobicContact CD1-CG 4.22Å; L60-R65 PolarHBondContact O-NE 3.35Å; L60-R65 VanDerWaalsContact O-NE 3.1Å; L60-R65 PolarHBondContact O-NH2 3.35Å; T61-R65 PolarHBondContact O-N 2.99Å; A62-R65 WeakPolarHBondContact O-CA 3.42Å; A62-R65 PolarHBondContact O-N 3.04Å; E63-R65 PolarHBondContact O-N 2.87Å
66E93.4Very high95.9Very high145 Ų14553.3 Ų53.368%0.67830%0.296SS*.SBendtrans-74.3-31.5-178.9-72177.2-174.600113.4L42 A62 E63L42-E66 WeakPolarHBondContact CD1-O 3.48Å; A62-E66 PolarHBondContact O-N 3.35Å; E63-E66 WeakPolarHBondContact O-CB 3.32Å; E63-E66 PolarHBondContact O-N 3.3Å
67S95.1Very high95.7Very high45 Ų4558.4 Ų58.432%0.31533%0.327SS..SBendtrans-130.7149.2-179.890.20000111.1D69 S70 C71S67-D69 VanDerWaalsContact C-N 3.28Å; S67-D69 PolarHBondContact O-N 3.47Å; S67-S70 PolarHBondContact O-N 2.94Å; S67-S70 VanDerWaalsContact OG-CB 3.31Å; S67-S70 WeakPolarHBondContact OG-CB 3.46Å; S67-S70 PolarHBondContact OG-N 2.85Å; S67-S70 VanDerWaalsContact OG-N 3.07Å; S67-S70 PolarHBondContact OG-OG 3.09Å; S67-C71 VanDerWaalsContact O-CB 3.31Å; S67-C71 WeakPolarHBondContact O-CB 3.39Å; S67-C71 PolarHBondContact O-N 3.21Å
68Y95.9Very high95.6Very high12 Ų1260.6 Ų60.65%0.04734%0.339CS..Hα-helixtrans-58.8-42.3178175.7-105.4000111.6F27 E28 E38 K41 L45 C71 I72F27-Y68 HydrophobicContact CD1-CE2 4.26Å; F27-Y68 AromaticContact CE1-CE2 3.7Å; F27-Y68 HydrophobicContact CE1-CE2 3.7Å; E28-Y68 WeakPolarHBondContact OE1-CE1 3.26Å; E28-Y68 VanDerWaalsContact OE1-CZ 3.24Å; E28-Y68 PolarHBondContact OE1-OH 3.43Å; E38-Y68 WeakPolarHBondContact OE2-CB 3.26Å; K41-Y68 HydrophobicContact CB-CD2 3.79Å; K41-Y68 HydrophobicContact CB-CE2 4.21Å; K41-Y68 HydrophobicContact CB-CG 4.12Å; K41-Y68 HydrophobicContact CD-CD1 4.14Å; K41-Y68 HydrophobicContact CD-CD2 4.48Å; K41-Y68 HydrophobicContact CD-CE1 4.3Å; K41-Y68 HydrophobicContact CD-CG 4.23Å; L45-Y68 HydrophobicContact CD2-CD2 3.97Å; L45-Y68 HydrophobicContact CD2-CE2 3.95Å; Y68-C71 PolarHBondContact O-N 3.41Å; Y68-I72 HydrophobicContact CD1-CG1 4.37Å; Y68-I72 HydrophobicContact CD2-CG1 4.11Å; Y68-I72 HydrophobicContact CE1-CG1 3.97Å; Y68-I72 HydrophobicContact CE2-CD1 3.85Å; Y68-I72 HydrophobicContact CE2-CG1 3.68Å; Y68-I72 HydrophobicContact CG-CG1 4.43Å; Y68-I72 WeakPolarHBondContact O-CB 3.48Å; Y68-I72 VanDerWaalsContact O-CG1 3.24Å; Y68-I72 WeakPolarHBondContact O-CG1 3.21Å; Y68-I72 PolarHBondContact O-N 3.27Å
69D95.9Very high95.5Very high101 Ų10160.4 Ų60.454%0.5433%0.33SS..Hα-helixtrans-65.9-44.1-179.5-171.163.8000112.8S67 C71 I72 T73S67-D69 VanDerWaalsContact C-N 3.28Å; S67-D69 PolarHBondContact O-N 3.47Å; D69-C71 VanDerWaalsContact C-N 3.3Å; D69-C71 PolarHBondContact O-N 2.98Å; D69-I72 PolarHBondContact O-N 3.4Å; D69-T73 WeakPolarHBondContact O-CB 3.39Å; D69-T73 PolarHBondContact O-N 2.86Å; D69-T73 PolarHBondContact O-OG1 2.77Å
70S96.5Very high95.2Very high49 Ų4957.4 Ų57.434%0.34332%0.318SS..Hα-helixtrans-62.4-40.3175.1-55.10000111.5Q64 S67 T73 G74Q64-S70 CarbonylContact O-C 3.47Å; Q64-S70 VanDerWaalsContact O-C 3.28Å; Q64-S70 WeakPolarHBondContact O-CB 3.35Å; S67-S70 PolarHBondContact O-N 2.94Å; S67-S70 VanDerWaalsContact OG-CB 3.31Å; S67-S70 WeakPolarHBondContact OG-CB 3.46Å; S67-S70 PolarHBondContact OG-N 2.85Å; S67-S70 VanDerWaalsContact OG-N 3.07Å; S67-S70 PolarHBondContact OG-OG 3.09Å; S70-T73 PolarHBondContact O-N 2.95Å; S70-G74 PolarHBondContact O-N 3.07Å
71C96.5Very high94.7Very high0 Ų060.9 Ų60.90%034%0.341CS..Hα-helixtrans-66.4-47.3-179.5-174.20000110.7L42 L45 F57 L60 Q64 S67 Y68 D69 T73 G74 L75L42-C71 HydrophobicContact CD2-CB 3.9Å; L45-C71 HydrophobicContact CD2-CB 4.23Å; L45-C71 VanDerWaalsContact CD2-SG 3.6Å; F57-C71 WeakPolarHBondContact CE2-SG 3.48Å; L60-C71 VanDerWaalsContact CD1-SG 3.55Å; Q64-C71 WeakPolarHBondContact O-CA 3.45Å; Q64-C71 WeakPolarHBondContact O-CB 3.45Å; Q64-C71 PolarHBondContact O-N 2.86Å; S67-C71 VanDerWaalsContact O-CB 3.31Å; S67-C71 WeakPolarHBondContact O-CB 3.39Å; S67-C71 PolarHBondContact O-N 3.21Å; Y68-C71 PolarHBondContact O-N 3.41Å; D69-C71 VanDerWaalsContact C-N 3.3Å; D69-C71 PolarHBondContact O-N 2.98Å; C71-T73 VanDerWaalsContact C-N 3.32Å; C71-T73 PolarHBondContact O-N 3.4Å; C71-G74 PolarHBondContact O-N 3.37Å; C71-L75 WeakPolarHBondContact O-CB 3.42Å; C71-L75 VanDerWaalsContact O-CG 3.31Å; C71-L75 WeakPolarHBondContact O-CG 3.4Å; C71-L75 PolarHBondContact O-N 3.46Å
72I96.9Very high94.3Very high1 Ų163 Ų631%0.00536%0.356CS..Hα-helixtrans-62.6-39.1177.4-70.4-68.5000111.8W20 L45 Y68 D69 L75 T76W20-I72 HydrophobicContact CH2-CD1 4.32Å; W20-I72 HydrophobicContact CZ2-CD1 4.06Å; L45-I72 HydrophobicContact CD1-CD1 4.18Å; L45-I72 HydrophobicContact CD2-CD1 3.96Å; L45-I72 HydrophobicContact CD2-CG1 4.33Å; Y68-I72 HydrophobicContact CD1-CG1 4.37Å; Y68-I72 HydrophobicContact CD2-CG1 4.11Å; Y68-I72 HydrophobicContact CE1-CG1 3.97Å; Y68-I72 HydrophobicContact CE2-CD1 3.85Å; Y68-I72 HydrophobicContact CE2-CG1 3.68Å; Y68-I72 HydrophobicContact CG-CG1 4.43Å; Y68-I72 WeakPolarHBondContact O-CB 3.48Å; Y68-I72 VanDerWaalsContact O-CG1 3.24Å; Y68-I72 WeakPolarHBondContact O-CG1 3.21Å; Y68-I72 PolarHBondContact O-N 3.27Å; D69-I72 PolarHBondContact O-N 3.4Å; I72-L75 PolarHBondContact O-N 2.97Å; I72-T76 VanDerWaalsContact O-CB 3.26Å; I72-T76 WeakPolarHBondContact O-CB 3.28Å; I72-T76 PolarHBondContact O-N 3.18Å; I72-T76 PolarHBondContact O-OG1 3.39Å
73T96.1Very high93.9Very high80 Ų8064.4 Ų64.449%0.49135%0.353SS..Hα-helixtrans-62.4-45.9175.6-62.10000111.2D69 S70 C71 T76 T77D69-T73 WeakPolarHBondContact O-CB 3.39Å; D69-T73 PolarHBondContact O-N 2.86Å; D69-T73 PolarHBondContact O-OG1 2.77Å; S70-T73 PolarHBondContact O-N 2.95Å; C71-T73 VanDerWaalsContact C-N 3.32Å; C71-T73 PolarHBondContact O-N 3.4Å; T73-T76 PolarHBondContact O-N 2.89Å; T73-T77 PolarHBondContact O-N 3.09Å; T73-T77 VanDerWaalsContact O-N 3.13Å; T73-T77 PolarHBondContact O-OG1 3.15Å
74G96.2Very high93.6Very high2 Ų259.8 Ų59.82%0.02133%0.334CS..Hα-helixtrans-63.1-47.6175.900000112.8S70 C71 T76 T77 L78S70-G74 PolarHBondContact O-N 3.07Å; C71-G74 PolarHBondContact O-N 3.37Å; G74-T76 VanDerWaalsContact C-N 3.35Å; G74-T76 PolarHBondContact O-N 3.37Å; G74-T77 WeakPolarHBondContact O-CB 3.21Å; G74-T77 PolarHBondContact O-N 3Å; G74-L78 PolarHBondContact O-N 3.29Å
75L96.8Very high93.3Very high0 Ų062.1 Ų62.10%035%0.345CS..Hα-helixtrans-60.2-43.9176.6-73.5176.3000111.8W20 L45 L49 A56 F57 L60 C71 I72 T77 L78 L79W20-L75 HydrophobicContact CH2-CB 3.94Å; W20-L75 HydrophobicContact CH2-CD1 3.79Å; W20-L75 HydrophobicContact CH2-CG 4.47Å; W20-L75 HydrophobicContact CZ2-CB 3.74Å; W20-L75 HydrophobicContact CZ2-CD1 4.28Å; L45-L75 HydrophobicContact CD1-CD1 4.15Å; L45-L75 HydrophobicContact CD2-CD1 4.07Å; L45-L75 HydrophobicContact CG-CD1 4.33Å; L49-L75 HydrophobicContact CD1-CD1 3.7Å; L49-L75 HydrophobicContact CD1-CD2 4.29Å; A56-L75 HydrophobicContact CB-CD2 4.26Å; F57-L75 HydrophobicContact CB-CD2 3.96Å; F57-L75 HydrophobicContact CD2-CD1 4.39Å; F57-L75 HydrophobicContact CD2-CD2 4.39Å; L60-L75 HydrophobicContact CD1-CD2 4.01Å; L60-L75 HydrophobicContact CD1-CG 3.97Å; C71-L75 WeakPolarHBondContact O-CB 3.42Å; C71-L75 VanDerWaalsContact O-CG 3.31Å; C71-L75 WeakPolarHBondContact O-CG 3.4Å; C71-L75 PolarHBondContact O-N 3.46Å; I72-L75 PolarHBondContact O-N 2.97Å; L75-T77 PolarHBondContact O-N 3.33Å; L75-L78 PolarHBondContact O-N 3.44Å; L75-L78 VanDerWaalsContact O-N 3.11Å; L75-L79 HydrophobicContact CB-CD1 4.12Å; L75-L79 HydrophobicContact CD2-CD1 4.25Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.35Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.2Å
76T95.3Very high93.2Very high46 Ų4663.3 Ų63.328%0.28236%0.355SS..Hα-helixtrans-59.7-39.7178.2-58.50000110.7W20 I72 T73 G74 L78 V80W20-T76 PolarHBondContact NE1-OG1 3.09Å; I72-T76 VanDerWaalsContact O-CB 3.26Å; I72-T76 WeakPolarHBondContact O-CB 3.28Å; I72-T76 PolarHBondContact O-N 3.18Å; I72-T76 PolarHBondContact O-OG1 3.39Å; T73-T76 PolarHBondContact O-N 2.89Å; G74-T76 VanDerWaalsContact C-N 3.35Å; G74-T76 PolarHBondContact O-N 3.37Å; T76-L78 VanDerWaalsContact C-N 3.31Å; T76-L78 PolarHBondContact O-N 2.98Å; T76-V80 HydrophobicContact CG2-CB 4.34Å; T76-V80 HydrophobicContact CG2-CG2 3.95Å; T76-V80 VanDerWaalsContact O-CB 3.22Å; T76-V80 WeakPolarHBondContact O-CB 3.49Å; T76-V80 PolarHBondContact O-N 3.44Å
77T93.9Very high93.1Very high107 Ų10760.8 Ų60.866%0.65635%0.345SS*.Hα-helixtrans-64.9-34.5177.7-55.40000112.6T73 G74 L75T73-T77 PolarHBondContact O-N 3.09Å; T73-T77 VanDerWaalsContact O-N 3.13Å; T73-T77 PolarHBondContact O-OG1 3.15Å; G74-T77 WeakPolarHBondContact O-CB 3.21Å; G74-T77 PolarHBondContact O-N 3Å; L75-T77 PolarHBondContact O-N 3.33Å
78L94.4Very high93.1Very high81 Ų8159.7 Ų59.742%0.42434%0.336SS..Hα-helixtrans-86.9-33.8-178.1-67.2173.5000113.3A56 Q59 L60 G74 L75 T76A56-L78 HydrophobicContact CB-CB 3.98Å; A56-L78 HydrophobicContact CB-CD1 4.17Å; A56-L78 VanDerWaalsContact O-CD1 3.3Å; A56-L78 WeakPolarHBondContact O-CD1 3.38Å; Q59-L78 HydrophobicContact CB-CD1 3.95Å; L60-L78 HydrophobicContact CD2-CD1 3.84Å; G74-L78 PolarHBondContact O-N 3.29Å; L75-L78 PolarHBondContact O-N 3.44Å; L75-L78 VanDerWaalsContact O-N 3.11Å; T76-L78 VanDerWaalsContact C-N 3.31Å; T76-L78 PolarHBondContact O-N 2.98Å
79L93.6Very high93.1Very high35 Ų3560.3 Ų60.318%0.18334%0.341CS..Hα-helixtrans-95.6-25.9-172.7-64.3171.4000113.3Y14 W20 A53 A56 L75Y14-L79 HydrophobicContact CE1-CD1 4.17Å; W20-L79 HydrophobicContact CD2-CD1 4.27Å; W20-L79 HydrophobicContact CE3-CD1 3.86Å; W20-L79 HydrophobicContact CH2-CD1 4.01Å; W20-L79 HydrophobicContact CZ2-CD1 4.41Å; W20-L79 HydrophobicContact CZ3-CD1 3.71Å; A53-L79 HydrophobicContact CB-CD1 4.31Å; A53-L79 HydrophobicContact CB-CD2 4.28Å; A56-L79 HydrophobicContact CB-CD2 3.64Å; A56-L79 HydrophobicContact CB-CG 3.97Å; L75-L79 HydrophobicContact CB-CD1 4.12Å; L75-L79 HydrophobicContact CD2-CD1 4.25Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.35Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.2Å
80V91.6Very high93.1Very high40 Ų4059.1 Ų59.124%0.24234%0.338CS..SBendtrans-102.2117.5179.4-174.50000108.8W20 T76 V84W20-V80 HydrophobicContact CB-CG2 4.08Å; W20-V80 HydrophobicContact CG-CG2 4.02Å; T76-V80 HydrophobicContact CG2-CB 4.34Å; T76-V80 HydrophobicContact CG2-CG2 3.95Å; T76-V80 VanDerWaalsContact O-CB 3.22Å; T76-V80 WeakPolarHBondContact O-CB 3.49Å; T76-V80 PolarHBondContact O-N 3.44Å; V80-V84 HydrophobicContact CG1-CB 4.02Å; V80-V84 HydrophobicContact CG1-CG1 3.65Å; V80-V84 HydrophobicContact CG1-CG2 4.4Å
81P87Confident93Very high77 Ų7760.4 Ų60.450%0.534%0.34SS..PPolyproline II helixtrans-56.9142.5177-2634.5000111.7V84P81-V84 WeakPolarHBondContact O-CB 3.25Å; P81-V84 PolarHBondContact O-N 3.49Å
82P86.8Confident93.1Very high114 Ų11460.9 Ų60.974%0.7434%0.342SS*.THydrogen-bonded Turntrans-58.4146170.926.6-33.9000109.6V84P82-V84 PolarHBondContact O-N 3.45Å
83N87.4Confident93.1Very high109 Ų10968.3 Ų68.358%0.58337%0.37SS*.THydrogen-bonded Turntrans6125.4-178.4-52.2-42.5000115E85 Q86 L87N83-E85 PolarHBondContact O-N 2.93Å; N83-E85 VanDerWaalsContact O-N 3.08Å; N83-Q86 HydrophobicContact CB-CB 4.32Å; N83-Q86 HydrophobicContact CB-CG 4.38Å; N83-Q86 PolarHBondContact O-N 3.45Å; N83-L87 PolarHBondContact O-N 3.08Å
84V88.1Confident93.1Very high46 Ų4668.4 Ų68.428%0.27937%0.371SS..Hα-helixtrans-52.3-32.6175.4710000112.7V80 P81 P82 L87 N88V80-V84 HydrophobicContact CG1-CB 4.02Å; V80-V84 HydrophobicContact CG1-CG1 3.65Å; V80-V84 HydrophobicContact CG1-CG2 4.4Å; P81-V84 WeakPolarHBondContact O-CB 3.25Å; P81-V84 PolarHBondContact O-N 3.49Å; P82-V84 PolarHBondContact O-N 3.45Å; V84-L87 WeakPolarHBondContact O-CB 3.1Å; V84-L87 PolarHBondContact O-N 3.43Å; V84-N88 WeakPolarHBondContact O-CB 3.32Å; V84-N88 PolarHBondContact O-N 3.13Å; V84-N88 PolarHBondContact O-ND2 2.99Å
85E87Confident93.1Very high115 Ų11570.4 Ų70.454%0.53738%0.378SS..Hα-helixtrans-63.5-46175.7-62.8-174.5165.100112N83 L87 N88 V89N83-E85 PolarHBondContact O-N 2.93Å; N83-E85 VanDerWaalsContact O-N 3.08Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 3Å; E85-N88 WeakPolarHBondContact O-CB 3.37Å; E85-N88 PolarHBondContact O-N 2.96Å; E85-N88 VanDerWaalsContact O-N 3.16Å; E85-V89 WeakPolarHBondContact O-CG2 3.33Å; E85-V89 PolarHBondContact O-N 3.39Å
86Q92.2Very high93.1Very high125 Ų12578 Ų7858%0.58441%0.406SS*.Hα-helixtrans-65.3-37.4177.1-63.1179.54.200111.3N83 V89 T90N83-Q86 HydrophobicContact CB-CB 4.32Å; N83-Q86 HydrophobicContact CB-CG 4.38Å; N83-Q86 PolarHBondContact O-N 3.45Å; Q86-V89 PolarHBondContact O-N 3.39Å; Q86-T90 PolarHBondContact O-N 2.88Å; Q86-T90 PolarHBondContact O-OG1 2.77Å
87L92.8Very high93.1Very high91 Ų9178.1 Ų78.148%0.47640%0.403SS..Hα-helixtrans-61.3-47171.8178.862000110.7N83 V84 E85 V89 T90 L91N83-L87 PolarHBondContact O-N 3.08Å; V84-L87 WeakPolarHBondContact O-CB 3.1Å; V84-L87 PolarHBondContact O-N 3.43Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 3Å; L87-V89 PolarHBondContact O-N 3.17Å; L87-T90 CarbonylContact O-C 3.28Å; L87-T90 WeakPolarHBondContact O-CA 3.44Å; L87-T90 WeakPolarHBondContact O-CB 3.39Å; L87-T90 PolarHBondContact O-N 3.12Å; L87-T90 VanDerWaalsContact O-N 3.11Å; L87-L91 HydrophobicContact CD1-CD1 4.45Å; L87-L91 HydrophobicContact CD1-CG 4.32Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CG 2.95Å; L87-L91 PolarHBondContact O-N 3.4Å
88N93.8Very high93.2Very high22 Ų2276.3 Ų76.312%0.11839%0.392CS..Hα-helixtrans-63-39.9178.1-71.7-38.2000112.4V84 E85 T90 L91 F92 R116 A117V84-N88 WeakPolarHBondContact O-CB 3.32Å; V84-N88 PolarHBondContact O-N 3.13Å; V84-N88 PolarHBondContact O-ND2 2.99Å; E85-N88 WeakPolarHBondContact O-CB 3.37Å; E85-N88 PolarHBondContact O-N 2.96Å; E85-N88 VanDerWaalsContact O-N 3.16Å; N88-T90 VanDerWaalsContact C-N 3.3Å; N88-T90 PolarHBondContact O-N 2.9Å; N88-L91 PolarHBondContact O-N 3.28Å; N88-F92 VanDerWaalsContact O-CB 3.31Å; N88-F92 WeakPolarHBondContact O-CB 3.34Å; N88-F92 PolarHBondContact O-N 2.86Å; N88-R116 HydrophobicContact CB-CB 4.1Å; N88-R116 PolarHBondContact ND2-O 3.35Å; N88-A117 HydrophobicContact CB-CB 4.21Å
89V96.2Very high93.1Very high25 Ų2582 Ų8215%0.15241%0.413CS..Hα-helixtrans-58.8-44.4172.1170.30000110.5E85 Q86 L87 F92 R93 A117 Y118E85-V89 WeakPolarHBondContact O-CG2 3.33Å; E85-V89 PolarHBondContact O-N 3.39Å; Q86-V89 PolarHBondContact O-N 3.39Å; L87-V89 PolarHBondContact O-N 3.17Å; V89-F92 PolarHBondContact O-N 3.28Å; V89-R93 WeakPolarHBondContact O-CB 3.5Å; V89-R93 VanDerWaalsContact O-CG 3.28Å; V89-R93 WeakPolarHBondContact O-CG 3.35Å; V89-R93 PolarHBondContact O-N 3.36Å; V89-A117 HydrophobicContact CB-CB 4.44Å; V89-A117 HydrophobicContact CG2-CB 3.89Å; V89-A117 WeakPolarHBondContact CG2-O 3.28Å; V89-Y118 HydrophobicContact CG2-CD1 4.4Å; V89-Y118 HydrophobicContact CG2-CE1 3.86Å
90T96.1Very high93.1Very high77 Ų7788.2 Ų88.247%0.47244%0.442SS..Hα-helixtrans-63.8-48.8177.5-57.40000111Q86 L87 N88 F92 R93 T94Q86-T90 PolarHBondContact O-N 2.88Å; Q86-T90 PolarHBondContact O-OG1 2.77Å; L87-T90 CarbonylContact O-C 3.28Å; L87-T90 WeakPolarHBondContact O-CA 3.44Å; L87-T90 WeakPolarHBondContact O-CB 3.39Å; L87-T90 PolarHBondContact O-N 3.12Å; L87-T90 VanDerWaalsContact O-N 3.11Å; N88-T90 VanDerWaalsContact C-N 3.3Å; N88-T90 PolarHBondContact O-N 2.9Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.6Å; T90-R93 CarbonylContact O-C 3.46Å; T90-R93 PolarHBondContact O-N 3.1Å; T90-T94 HydrophobicContact CG2-CG2 4.34Å; T90-T94 WeakPolarHBondContact O-CG2 3.3Å; T90-T94 PolarHBondContact O-N 2.89Å; T90-T94 PolarHBondContact O-OG1 2.7Å
91L95.7Very high93.2Very high76 Ų7687.7 Ų87.740%0.39844%0.436SS..Hα-helixtrans-59-42.7177.4-69.8173.3000111.9L87 N88 T94 R95 L113L87-L91 HydrophobicContact CD1-CD1 4.45Å; L87-L91 HydrophobicContact CD1-CG 4.32Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CG 2.95Å; L87-L91 PolarHBondContact O-N 3.4Å; N88-L91 PolarHBondContact O-N 3.28Å; L91-T94 PolarHBondContact O-N 3.08Å; L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 PolarHBondContact O-N 3.31Å; L91-L113 HydrophobicContact CB-CD2 4.01Å
92F97.7Very high93.6Very high10 Ų1088.4 Ų88.44%0.04444%0.436CS..Hα-helixtrans-60.9-47.7174.6175.8-103.6000111.7N88 V89 T90 T94 R95 L110 L113 A114 A117 Y118 L129 R133N88-F92 VanDerWaalsContact O-CB 3.31Å; N88-F92 WeakPolarHBondContact O-CB 3.34Å; N88-F92 PolarHBondContact O-N 2.86Å; V89-F92 PolarHBondContact O-N 3.28Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.6Å; F92-T94 VanDerWaalsContact C-N 3.28Å; F92-T94 PolarHBondContact O-N 3.06Å; F92-R95 PolarHBondContact O-N 3.05Å; F92-L110 HydrophobicContact CD2-CD2 4.38Å; F92-L110 HydrophobicContact CE2-CD2 4.24Å; F92-L113 HydrophobicContact CB-CB 4.13Å; F92-L113 HydrophobicContact CD2-CB 3.93Å; F92-A114 HydrophobicContact CD2-CB 4Å; F92-A114 HydrophobicContact CE2-CB 3.65Å; F92-A114 HydrophobicContact CZ-CB 4.22Å; F92-A117 HydrophobicContact CB-CB 4.1Å; F92-Y118 AromaticContact CD1-CE2 3.88Å; F92-Y118 HydrophobicContact CD1-CE2 3.88Å; F92-Y118 HydrophobicContact CE1-CE2 4.05Å; F92-L129 HydrophobicContact CE1-CB 4.28Å; F92-L129 HydrophobicContact CZ-CB 4.03Å; F92-R133 HydrophobicContact CE2-CB 4.42Å; F92-R133 HydrophobicContact CZ-CB 4Å; F92-R133 HydrophobicContact CZ-CG 4.47Å
93R96.5Very high94Very high156 Ų15684.1 Ų84.159%0.58941%0.405SS*.Hα-helixtrans-72.9-12.3179.7-72.9178.7179.9174.71114.6V89 T90 R133V89-R93 WeakPolarHBondContact O-CB 3.5Å; V89-R93 VanDerWaalsContact O-CG 3.28Å; V89-R93 WeakPolarHBondContact O-CG 3.35Å; V89-R93 PolarHBondContact O-N 3.36Å; T90-R93 CarbonylContact O-C 3.46Å; T90-R93 PolarHBondContact O-N 3.1Å; R93-R133 PolarHBondContact O-NH1 3Å; R93-R133 PolarHBondContact O-NH2 2.71Å; R93-R133 VanDerWaalsContact O-NH2 3.1Å
94T96Very high94.4Very high83 Ų8383.9 Ų83.951%0.50940%0.399SS..Hα-helixtrans-113.2-3.7177.3600000112.4T90 L91 F92 R96T90-T94 HydrophobicContact CG2-CG2 4.34Å; T90-T94 WeakPolarHBondContact O-CG2 3.3Å; T90-T94 PolarHBondContact O-N 2.89Å; T90-T94 PolarHBondContact O-OG1 2.7Å; L91-T94 PolarHBondContact O-N 3.08Å; F92-T94 VanDerWaalsContact C-N 3.28Å; F92-T94 PolarHBondContact O-N 3.06Å; T94-R96 WeakPolarHBondContact O-CG 3.35Å; T94-R96 PolarHBondContact O-N 3.36Å; T94-R96 VanDerWaalsContact O-N 3.12Å
95R97Very high94.8Very high44 Ų4482.6 Ų82.617%0.16639%0.393CS..  trans-58.3115.8179.9-174.649.7165.4988.4111.8L91 F92 E101 F106 L110 L113 R133L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 PolarHBondContact O-N 3.31Å; F92-R95 PolarHBondContact O-N 3.05Å; R95-E101 IonicContact CZ-OE1 2.93Å; R95-E101 IonicContact CZ-OE2 3.13Å; R95-E101 VanDerWaalsContact CZ-OE2 3.29Å; R95-E101 IonicContact NH1-OE1 3.86Å; R95-E101 IonicContact NH1-OE2 3.48Å; R95-E101 PolarHBondContact NH1-OE2 2.92Å; R95-E101 IonicContact NH2-OE1 2.73Å; R95-E101 PolarHBondContact NH2-OE1 3.49Å; R95-E101 IonicContact NH2-OE2 2.7Å; R95-E101 PolarHBondContact NH2-OE2 3.36Å; R95-F106 HydrophobicContact CG-CE2 3.84Å; R95-L110 HydrophobicContact CB-CD2 3.86Å; R95-L110 HydrophobicContact CG-CD2 3.67Å; R95-L110 HydrophobicContact CG-CG 4.44Å; R95-L113 HydrophobicContact CB-CD1 4Å; R95-L113 HydrophobicContact CG-CD1 3.83Å; R95-R133 PolarHBondContact O-NE 3.38Å; R95-R133 VanDerWaalsContact O-NE 3.09Å; R95-R133 PolarHBondContact O-NH2 3.31Å
96R96.2Very high95.3Very high158 Ų15877.1 Ų77.160%0.59637%0.367SS*.  trans-112.8143.8174.1-59.5-56.4-55.3-88.6-6.3109.8T94 E137T94-R96 WeakPolarHBondContact O-CG 3.35Å; T94-R96 PolarHBondContact O-N 3.36Å; T94-R96 VanDerWaalsContact O-N 3.12Å; R96-E137 WeakPolarHBondContact CA-OE2 3.41Å; R96-E137 WeakPolarHBondContact CD-OE2 3.34Å; R96-E137 IonicContact CZ-OE1 3.68Å; R96-E137 IonicContact CZ-OE2 3.66Å; R96-E137 IonicContact NE-OE1 3.83Å; R96-E137 PolarHBondContact NE-OE1 2.93Å; R96-E137 IonicContact NE-OE2 2.72Å; R96-E137 PolarHBondContact NE-OE2 3.46Å; R96-E137 IonicContact NH2-OE1 3.67Å; R96-E137 PolarHBondContact NH2-OE1 3.17Å; R96-E137 VanDerWaalsContact NH2-OE1 3.13Å; R96-E137 IonicContact NH2-OE2 3.94Å
97K96.1Very high95.6Very high50 Ų5071.1 Ų71.122%0.21734%0.34CS..  trans-68.6134.5177.6179.3-179.1169.9-61.40109.4E101 W103 F106 E137K97-E101 WeakPolarHBondContact CE-O 3.44Å; K97-E101 HydrophobicContact CG-CB 4.47Å; K97-E101 HydrophobicContact CG-CG 4.44Å; K97-E101 PolarHBondContact NZ-O 3.39Å; K97-W103 HydrophobicContact CD-CD2 3.89Å; K97-W103 HydrophobicContact CD-CE3 3.49Å; K97-W103 VanDerWaalsContact CD-CE3 3.49Å; K97-W103 HydrophobicContact CD-CH2 3.61Å; K97-W103 HydrophobicContact CD-CZ2 3.99Å; K97-W103 HydrophobicContact CD-CZ3 3.35Å; K97-F106 HydrophobicContact CB-CB 4.46Å; K97-F106 HydrophobicContact CB-CD1 4.27Å; K97-F106 HydrophobicContact CB-CD2 3.64Å; K97-F106 HydrophobicContact CB-CE1 4.46Å; K97-F106 HydrophobicContact CB-CE2 3.84Å; K97-F106 HydrophobicContact CB-CG 3.87Å; K97-F106 HydrophobicContact CB-CZ 4.27Å; K97-F106 HydrophobicContact CD-CB 4.35Å; K97-F106 HydrophobicContact CD-CG 4.43Å; K97-F106 HydrophobicContact CG-CB 4.13Å; K97-F106 HydrophobicContact CG-CD2 4.16Å; K97-F106 HydrophobicContact CG-CG 4.08Å; K97-E137 HydrophobicContact CB-CG 3.84Å; K97-E137 VanDerWaalsContact N-CD 3.35Å; K97-E137 PolarHBondContact N-OE1 3.48Å
98T94.9Very high95.8Very high69 Ų6973.7 Ų73.742%0.42334%0.343SS..  trans-80.5167.4174.673.60000111E100 E101T98-E100 VanDerWaalsContact C-N 3.31Å; T98-E101 PolarHBondContact N-OE2 3.27Å; T98-E101 WeakPolarHBondContact OG1-CB 3.33Å; T98-E101 PolarHBondContact OG1-N 3.31Å
99K92Very high95.9Very high200 Ų20075.3 Ų75.387%0.8735%0.35SS*.SBendtrans-69.6-33.8-179.7-69.4-177.8179.1179.60111.8
100E94Very high96Very high166 Ų16674.1 Ų74.178%0.77634%0.342SS*.SBendtrans-86.5-17.8-176.1-56.270.5-151.400112.7T98T98-E100 VanDerWaalsContact C-N 3.31Å
101E94.9Very high96Very high28 Ų2872.4 Ų72.413%0.13133%0.334CS..  trans-80.1139.6178.7175.4171.5-127.700111.3R95 K97 T98 A105 F106R95-E101 IonicContact CZ-OE1 2.93Å; R95-E101 IonicContact CZ-OE2 3.13Å; R95-E101 VanDerWaalsContact CZ-OE2 3.29Å; R95-E101 IonicContact NH1-OE1 3.86Å; R95-E101 IonicContact NH1-OE2 3.48Å; R95-E101 PolarHBondContact NH1-OE2 2.92Å; R95-E101 IonicContact NH2-OE1 2.73Å; R95-E101 PolarHBondContact NH2-OE1 3.49Å; R95-E101 IonicContact NH2-OE2 2.7Å; R95-E101 PolarHBondContact NH2-OE2 3.36Å; K97-E101 WeakPolarHBondContact CE-O 3.44Å; K97-E101 HydrophobicContact CG-CB 4.47Å; K97-E101 HydrophobicContact CG-CG 4.44Å; K97-E101 PolarHBondContact NZ-O 3.39Å; T98-E101 PolarHBondContact N-OE2 3.27Å; T98-E101 WeakPolarHBondContact OG1-CB 3.33Å; T98-E101 PolarHBondContact OG1-N 3.31Å; E101-A105 HydrophobicContact CG-CB 3.79Å; E101-F106 VanDerWaalsContact CD-CA 3.46Å; E101-F106 HydrophobicContact CG-CB 4.02Å; E101-F106 VanDerWaalsContact OE1-CA 3.26Å; E101-F106 WeakPolarHBondContact OE1-CA 3.21Å; E101-F106 PolarHBondContact OE1-N 3.06Å; E101-F106 WeakPolarHBondContact OE2-CD2 3.37Å
102D94.5Very high96Very high93 Ų9373 Ų7350%0.49733%0.333SS..  trans-88.2168.9170.769.744.4000112.2F104 A105 F106D102-F104 VanDerWaalsContact C-N 3.27Å; D102-F104 PolarHBondContact O-N 3.23Å; D102-F104 WeakPolarHBondContact OD1-CA 3.49Å; D102-F104 WeakPolarHBondContact OD1-CB 3.49Å; D102-F104 PolarHBondContact OD1-N 2.66Å; D102-A105 PolarHBondContact O-N 2.73Å; D102-A105 WeakPolarHBondContact OD1-CB 3.43Å; D102-A105 PolarHBondContact OD1-N 2.74Å; D102-F106 WeakPolarHBondContact O-CB 3.33Å; D102-F106 PolarHBondContact O-N 3.42Å
103W95.3Very high95.9Very high23 Ų2373.6 Ų73.69%0.08734%0.336CS..Hα-helixtrans-63.6-28.9-179.1-68.1114.9000113.9K97 F106 A107 F134 E137 L138 W143 V159 I163 E166K97-W103 HydrophobicContact CD-CD2 3.89Å; K97-W103 HydrophobicContact CD-CE3 3.49Å; K97-W103 VanDerWaalsContact CD-CE3 3.49Å; K97-W103 HydrophobicContact CD-CH2 3.61Å; K97-W103 HydrophobicContact CD-CZ2 3.99Å; K97-W103 HydrophobicContact CD-CZ3 3.35Å; W103-F106 HydrophobicContact CE3-CD1 4.15Å; W103-F106 HydrophobicContact CZ3-CD1 4.22Å; W103-A107 VanDerWaalsContact O-CB 3.27Å; W103-A107 WeakPolarHBondContact O-CB 3.45Å; W103-A107 PolarHBondContact O-N 3.37Å; W103-F134 HydrophobicContact CB-CE2 4.41Å; W103-F134 HydrophobicContact CB-CZ 4.33Å; W103-F134 HydrophobicContact CD2-CE2 4.39Å; W103-F134 HydrophobicContact CD2-CZ 4.12Å; W103-F134 AromaticContact CE3-CE2 3.54Å; W103-F134 HydrophobicContact CE3-CE2 3.54Å; W103-F134 AromaticContact CE3-CZ 3.55Å; W103-F134 HydrophobicContact CE3-CZ 3.55Å; W103-F134 HydrophobicContact CG-CZ 4.46Å; W103-F134 HydrophobicContact CZ3-CE2 4.24Å; W103-F134 HydrophobicContact CZ3-CZ 4.23Å; W103-E137 HydrophobicContact CZ3-CG 4.43Å; W103-L138 HydrophobicContact CE3-CD2 4.27Å; W103-L138 HydrophobicContact CH2-CD2 3.65Å; W103-L138 HydrophobicContact CZ2-CD2 4.06Å; W103-L138 HydrophobicContact CZ3-CD2 3.75Å; W103-W143 HydrophobicContact CH2-CH2 4.42Å; W103-W143 AromaticContact CZ2-CH2 3.74Å; W103-W143 HydrophobicContact CZ2-CH2 3.74Å; W103-W143 HydrophobicContact CZ2-CZ2 4.36Å; W103-V159 HydrophobicContact CB-CG1 4Å; W103-I163 HydrophobicContact CB-CD1 4.44Å; W103-I163 HydrophobicContact CB-CG1 4.24Å; W103-I163 HydrophobicContact CG-CG1 4.4Å; W103-E166 PolarHBondContact NE1-OE2 3.03Å
104F96.4Very high95.9Very high105 Ų10566.1 Ų66.146%0.46131%0.308SS..Hα-helixtrans-72-45.7177.7-73.9-75.4000111.5D102 A107 R108 M156 V159 I163D102-F104 VanDerWaalsContact C-N 3.27Å; D102-F104 PolarHBondContact O-N 3.23Å; D102-F104 WeakPolarHBondContact OD1-CA 3.49Å; D102-F104 WeakPolarHBondContact OD1-CB 3.49Å; D102-F104 PolarHBondContact OD1-N 2.66Å; F104-A107 PolarHBondContact O-N 3.17Å; F104-R108 VanDerWaalsContact O-CB 3.32Å; F104-R108 WeakPolarHBondContact O-CB 3.26Å; F104-R108 PolarHBondContact O-N 3.11Å; F104-M156 HydrophobicContact CD1-SD 4.43Å; F104-V159 HydrophobicContact CD1-CG1 3.67Å; F104-V159 HydrophobicContact CD2-CG1 4.26Å; F104-V159 HydrophobicContact CE1-CG1 3.65Å; F104-V159 HydrophobicContact CE2-CG1 4.25Å; F104-V159 HydrophobicContact CG-CG1 3.97Å; F104-V159 HydrophobicContact CZ-CG1 3.96Å; F104-I163 HydrophobicContact CD2-CD1 3.83Å; F104-I163 HydrophobicContact CE2-CD1 3.28Å; F104-I163 HydrophobicContact CZ-CD1 3.85Å
105A96.6Very high95.9Very high18 Ų1864 Ų6415%0.14930%0.299CS..Hα-helixtrans-61.4-45.6175.900000110.5E101 D102 A107 R108 E109E101-A105 HydrophobicContact CG-CB 3.79Å; D102-A105 PolarHBondContact O-N 2.73Å; D102-A105 WeakPolarHBondContact OD1-CB 3.43Å; D102-A105 PolarHBondContact OD1-N 2.74Å; A105-A107 PolarHBondContact O-N 2.93Å; A105-R108 PolarHBondContact O-N 3.45Å; A105-E109 WeakPolarHBondContact O-CG 3.45Å; A105-E109 PolarHBondContact O-N 2.99Å
106F97.5Very high95.7Very high0 Ų067.1 Ų67.10%031%0.311CS..Hα-helixtrans-58.3-51176.4-179.9-115.8000112.3R95 K97 E101 D102 W103 R108 E109 L110 F134 E137R95-F106 HydrophobicContact CG-CE2 3.84Å; K97-F106 HydrophobicContact CB-CB 4.46Å; K97-F106 HydrophobicContact CB-CD1 4.27Å; K97-F106 HydrophobicContact CB-CD2 3.64Å; K97-F106 HydrophobicContact CB-CE1 4.46Å; K97-F106 HydrophobicContact CB-CE2 3.84Å; K97-F106 HydrophobicContact CB-CG 3.87Å; K97-F106 HydrophobicContact CB-CZ 4.27Å; K97-F106 HydrophobicContact CD-CB 4.35Å; K97-F106 HydrophobicContact CD-CG 4.43Å; K97-F106 HydrophobicContact CG-CB 4.13Å; K97-F106 HydrophobicContact CG-CD2 4.16Å; K97-F106 HydrophobicContact CG-CG 4.08Å; E101-F106 VanDerWaalsContact CD-CA 3.46Å; E101-F106 HydrophobicContact CG-CB 4.02Å; E101-F106 VanDerWaalsContact OE1-CA 3.26Å; E101-F106 WeakPolarHBondContact OE1-CA 3.21Å; E101-F106 PolarHBondContact OE1-N 3.06Å; E101-F106 WeakPolarHBondContact OE2-CD2 3.37Å; D102-F106 WeakPolarHBondContact O-CB 3.33Å; D102-F106 PolarHBondContact O-N 3.42Å; W103-F106 HydrophobicContact CE3-CD1 4.15Å; W103-F106 HydrophobicContact CZ3-CD1 4.22Å; F106-R108 PolarHBondContact O-N 2.97Å; F106-E109 PolarHBondContact O-N 2.82Å; F106-L110 HydrophobicContact CD1-CD1 3.98Å; F106-L110 HydrophobicContact CE1-CD1 3.39Å; F106-L110 HydrophobicContact CE1-CG 4.14Å; F106-L110 HydrophobicContact CE2-CD1 4.3Å; F106-L110 HydrophobicContact CE2-CD2 4.46Å; F106-L110 HydrophobicContact CE2-CG 4.2Å; F106-L110 HydrophobicContact CZ-CD1 3.57Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 HydrophobicContact CZ-CG 3.94Å; F106-L110 PolarHBondContact O-N 3.49Å; F106-F134 AromaticContact CD1-CD2 3.59Å; F106-F134 HydrophobicContact CD1-CD2 3.59Å; F106-F134 AromaticContact CD1-CE2 3.83Å; F106-F134 HydrophobicContact CD1-CE2 3.83Å; F106-F134 AromaticContact CE1-CD2 3.82Å; F106-F134 HydrophobicContact CE1-CD2 3.82Å; F106-F134 HydrophobicContact CE1-CE2 4.42Å; F106-E137 HydrophobicContact CE1-CB 3.62Å; F106-E137 HydrophobicContact CE1-CG 3.61Å; F106-E137 HydrophobicContact CE2-CG 4.25Å; F106-E137 HydrophobicContact CZ-CB 3.67Å; F106-E137 HydrophobicContact CZ-CG 3.46Å; F106-E137 VanDerWaalsContact CZ-CG 3.46Å
107A97.6Very high95.6Very high0 Ų059.9 Ų59.90%028%0.284CS..Hα-helixtrans-60.8-43178.500000112.3W103 F104 A105 E109 L110 S111 F134 L155 M156 V159W103-A107 VanDerWaalsContact O-CB 3.27Å; W103-A107 WeakPolarHBondContact O-CB 3.45Å; W103-A107 PolarHBondContact O-N 3.37Å; F104-A107 PolarHBondContact O-N 3.17Å; A105-A107 PolarHBondContact O-N 2.93Å; A107-E109 PolarHBondContact O-N 3.48Å; A107-L110 WeakPolarHBondContact O-CB 3.37Å; A107-L110 PolarHBondContact O-N 3.46Å; A107-S111 PolarHBondContact O-N 3.33Å; A107-S111 PolarHBondContact O-OG 3.41Å; A107-F134 HydrophobicContact CB-CD2 4.16Å; A107-F134 HydrophobicContact CB-CE2 4.17Å; A107-L155 HydrophobicContact CB-CD1 4.01Å; A107-L155 HydrophobicContact CB-CD2 3.87Å; A107-L155 HydrophobicContact CB-CG 3.86Å; A107-M156 HydrophobicContact CB-CE 3.63Å; A107-V159 HydrophobicContact CB-CG2 3.49Å; A107-V159 VanDerWaalsContact CB-CG2 3.49Å
108R96.8Very high95.5Very high144 Ų14459.1 Ų59.154%0.54328%0.28SS..Hα-helixtrans-61.4-43.7177.2-179.717864.3-151.9-5.3111.9F104 A105 F106 S111 K112F104-R108 VanDerWaalsContact O-CB 3.32Å; F104-R108 WeakPolarHBondContact O-CB 3.26Å; F104-R108 PolarHBondContact O-N 3.11Å; A105-R108 PolarHBondContact O-N 3.45Å; F106-R108 PolarHBondContact O-N 2.97Å; R108-S111 PolarHBondContact O-N 3.44Å; R108-K112 WeakPolarHBondContact O-CG 3.37Å; R108-K112 PolarHBondContact O-N 3.3Å; R108-K112 VanDerWaalsContact O-N 3.09Å
109E96.5Very high95.4Very high56 Ų5659.1 Ų59.126%0.26228%0.282SS..Hα-helixtrans-68.6-35.5177.1-66.8-47.3124.100112.1A105 F106 A107 K112 L113A105-E109 WeakPolarHBondContact O-CG 3.45Å; A105-E109 PolarHBondContact O-N 2.99Å; F106-E109 PolarHBondContact O-N 2.82Å; A107-E109 PolarHBondContact O-N 3.48Å; E109-K112 PolarHBondContact O-N 2.85Å; E109-K112 IonicContact OE1-NZ 2.78Å; E109-K112 PolarHBondContact OE1-NZ 3.09Å; E109-K112 IonicContact OE2-NZ 3.9Å; E109-L113 WeakPolarHBondContact O-CB 3.34Å; E109-L113 WeakPolarHBondContact O-CG 3.42Å; E109-L113 PolarHBondContact O-N 3.47Å
110L97.3Very high95.4Very high0 Ų054.2 Ų54.20%028%0.279CS..Hα-helixtrans-59.2-47170.8-78.5-179.7000112.1F92 R95 F106 A107 K112 L113 A114 R133 F134F92-L110 HydrophobicContact CD2-CD2 4.38Å; F92-L110 HydrophobicContact CE2-CD2 4.24Å; R95-L110 HydrophobicContact CB-CD2 3.86Å; R95-L110 HydrophobicContact CG-CD2 3.67Å; R95-L110 HydrophobicContact CG-CG 4.44Å; F106-L110 HydrophobicContact CD1-CD1 3.98Å; F106-L110 HydrophobicContact CE1-CD1 3.39Å; F106-L110 HydrophobicContact CE1-CG 4.14Å; F106-L110 HydrophobicContact CE2-CD1 4.3Å; F106-L110 HydrophobicContact CE2-CD2 4.46Å; F106-L110 HydrophobicContact CE2-CG 4.2Å; F106-L110 HydrophobicContact CZ-CD1 3.57Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 HydrophobicContact CZ-CG 3.94Å; F106-L110 PolarHBondContact O-N 3.49Å; A107-L110 WeakPolarHBondContact O-CB 3.37Å; A107-L110 PolarHBondContact O-N 3.46Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.02Å; L110-L113 PolarHBondContact O-N 2.92Å; L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 3.46Å; L110-R133 HydrophobicContact CD1-CB 4.35Å; L110-R133 HydrophobicContact CD1-CG 4.03Å; L110-R133 HydrophobicContact CD2-CB 4.35Å; L110-R133 HydrophobicContact CD2-CG 3.51Å; L110-R133 HydrophobicContact CG-CG 4.45Å; L110-F134 HydrophobicContact CD1-CB 3.95Å; L110-F134 HydrophobicContact CD1-CD2 4.36Å
111S97Very high95.5Very high41 Ų4151 Ų5129%0.28726%0.262SS..Hα-helixtrans-60.7-41.6177.2-62.60000112.2A107 R108 A114 A115 L155A107-S111 PolarHBondContact O-N 3.33Å; A107-S111 PolarHBondContact O-OG 3.41Å; R108-S111 PolarHBondContact O-N 3.44Å; S111-A114 PolarHBondContact O-N 2.96Å; S111-A115 WeakPolarHBondContact O-CB 3.48Å; S111-A115 PolarHBondContact O-N 2.9Å; S111-L155 VanDerWaalsContact OG-CD2 3.29Å; S111-L155 WeakPolarHBondContact OG-CD2 3.26Å
112K95.1Very high95.6Very high90 Ų9052.5 Ų52.539%0.39128%0.28SS..Hα-helixtrans-63.9-43.5175.6-71.3172.1-177.6173.30111.8R108 E109 L110 A115 R116R108-K112 WeakPolarHBondContact O-CG 3.37Å; R108-K112 PolarHBondContact O-N 3.3Å; R108-K112 VanDerWaalsContact O-N 3.09Å; E109-K112 PolarHBondContact O-N 2.85Å; E109-K112 IonicContact OE1-NZ 2.78Å; E109-K112 PolarHBondContact OE1-NZ 3.09Å; E109-K112 IonicContact OE2-NZ 3.9Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.02Å; K112-A115 PolarHBondContact O-N 3.04Å; K112-R116 WeakPolarHBondContact O-CG 3.35Å; K112-R116 PolarHBondContact O-N 2.86Å
113L95.7Very high95.7Very high21 Ų2152 Ų5211%0.1128%0.281CS..Hα-helixtrans-64.9-43177-76.6170.4000111.5L91 F92 R95 E109 L110 A115 R116 A117L91-L113 HydrophobicContact CB-CD2 4.01Å; F92-L113 HydrophobicContact CB-CB 4.13Å; F92-L113 HydrophobicContact CD2-CB 3.93Å; R95-L113 HydrophobicContact CB-CD1 4Å; R95-L113 HydrophobicContact CG-CD1 3.83Å; E109-L113 WeakPolarHBondContact O-CB 3.34Å; E109-L113 WeakPolarHBondContact O-CG 3.42Å; E109-L113 PolarHBondContact O-N 3.47Å; L110-L113 PolarHBondContact O-N 2.92Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.98Å; L113-R116 PolarHBondContact O-N 3.44Å; L113-R116 VanDerWaalsContact O-N 3.17Å; L113-A117 VanDerWaalsContact O-CB 3.23Å; L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 3.48Å
114A96.7Very high95.8Very high0 Ų053.2 Ų53.20%030%0.301CS..Hα-helixtrans-60.2-41.6175.900000111.9F92 L110 S111 R116 A117 Y118 R126 S130F92-A114 HydrophobicContact CD2-CB 4Å; F92-A114 HydrophobicContact CE2-CB 3.65Å; F92-A114 HydrophobicContact CZ-CB 4.22Å; L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 3.46Å; S111-A114 PolarHBondContact O-N 2.96Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 2.99Å; A114-A117 PolarHBondContact O-N 2.91Å; A114-Y118 PolarHBondContact O-N 3.14Å; A114-R126 HydrophobicContact CB-CB 4.19Å; A114-R126 WeakPolarHBondContact O-CD 3.27Å; A114-S130 VanDerWaalsContact CB-OG 3.24Å; A114-S130 WeakPolarHBondContact CB-OG 3.44Å
115A94.9Very high95.8Very high38 Ų3851.6 Ų51.631%0.31430%0.299SS..Hα-helixtrans-60.1-38.7175.700000112.9S111 K112 L113 R126S111-A115 WeakPolarHBondContact O-CB 3.48Å; S111-A115 PolarHBondContact O-N 2.9Å; K112-A115 PolarHBondContact O-N 3.04Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.98Å; A115-R126 PolarHBondContact O-NH1 3.01Å
116R92.9Very high95.8Very high110 Ų11053.2 Ų53.242%0.41530%0.302SS..Hα-helixtrans-79.9-32.2178.3-67.8175-178.31771.1113.7N88 K112 L113 A114N88-R116 HydrophobicContact CB-CB 4.1Å; N88-R116 PolarHBondContact ND2-O 3.35Å; K112-R116 WeakPolarHBondContact O-CG 3.35Å; K112-R116 PolarHBondContact O-N 2.86Å; L113-R116 PolarHBondContact O-N 3.44Å; L113-R116 VanDerWaalsContact O-N 3.17Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 2.99Å
117A94.4Very high95.8Very high5 Ų557.5 Ų57.54%0.04133%0.325CS..Hα-helixtrans-74.8-36.7-179.900000112.2N88 V89 F92 L113 A114 P119N88-A117 HydrophobicContact CB-CB 4.21Å; V89-A117 HydrophobicContact CB-CB 4.44Å; V89-A117 HydrophobicContact CG2-CB 3.89Å; V89-A117 WeakPolarHBondContact CG2-O 3.28Å; F92-A117 HydrophobicContact CB-CB 4.1Å; L113-A117 VanDerWaalsContact O-CB 3.23Å; L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 3.48Å; A114-A117 PolarHBondContact O-N 2.91Å; A117-P119 VanDerWaalsContact C-CD 3.48Å
118Y94.6Very high95.8Very high34 Ų3460.1 Ų60.113%0.13335%0.347CS..  trans-13062-174.6-51.8-72.7000111.5V89 F92 A114 A120 F121 R126 L129V89-Y118 HydrophobicContact CG2-CD1 4.4Å; V89-Y118 HydrophobicContact CG2-CE1 3.86Å; F92-Y118 AromaticContact CD1-CE2 3.88Å; F92-Y118 HydrophobicContact CD1-CE2 3.88Å; F92-Y118 HydrophobicContact CE1-CE2 4.05Å; A114-Y118 PolarHBondContact O-N 3.14Å; Y118-A120 PolarHBondContact O-N 2.98Å; Y118-F121 HydrophobicContact CD1-CD2 4.09Å; Y118-F121 AromaticContact CD1-CE2 3.81Å; Y118-F121 HydrophobicContact CD1-CE2 3.81Å; Y118-F121 HydrophobicContact CD1-CZ 4.17Å; Y118-F121 HydrophobicContact CE1-CE2 4.4Å; Y118-F121 AromaticContact CG-CD2 3.9Å; Y118-F121 HydrophobicContact CG-CD2 3.9Å; Y118-F121 HydrophobicContact CG-CE2 4.09Å; Y118-F121 HydrophobicContact CG-CG 4.45Å; Y118-F121 PolarHBondContact O-N 3.47Å; Y118-R126 WeakPolarHBondContact O-CD 3.5Å; Y118-L129 HydrophobicContact CD2-CD1 3.81Å; Y118-L129 HydrophobicContact CE2-CD1 3.84Å; Y118-L129 HydrophobicContact CG-CD1 4.4Å
119P91.8Very high95.8Very high70 Ų7055.2 Ų55.246%0.45533%0.331SS..THydrogen-bonded Turntrans-60.8-30.9-175.724.8-34.1000113.1A117 F121A117-P119 VanDerWaalsContact C-CD 3.48Å; P119-F121 VanDerWaalsContact C-N 3.33Å
120A93.3Very high95.9Very high97 Ų9752.6 Ų52.680%0.80232%0.319SS*.THydrogen-bonded Turntrans-77.2-13.4178.200000114.3Y118Y118-A120 PolarHBondContact O-N 2.98Å
121F96.2Very high95.9Very high98 Ų9853.8 Ų53.843%0.4333%0.325SS..SBendtrans-82.8143.4-177.8-74.110.9000111Y118 P119 V125 R126 L129Y118-F121 HydrophobicContact CD1-CD2 4.09Å; Y118-F121 AromaticContact CD1-CE2 3.81Å; Y118-F121 HydrophobicContact CD1-CE2 3.81Å; Y118-F121 HydrophobicContact CD1-CZ 4.17Å; Y118-F121 HydrophobicContact CE1-CE2 4.4Å; Y118-F121 AromaticContact CG-CD2 3.9Å; Y118-F121 HydrophobicContact CG-CD2 3.9Å; Y118-F121 HydrophobicContact CG-CE2 4.09Å; Y118-F121 HydrophobicContact CG-CG 4.45Å; Y118-F121 PolarHBondContact O-N 3.47Å; P119-F121 VanDerWaalsContact C-N 3.33Å; F121-V125 HydrophobicContact CB-CB 4.41Å; F121-V125 HydrophobicContact CB-CG1 4.44Å; F121-V125 HydrophobicContact CD2-CG1 3.73Å; F121-V125 HydrophobicContact CE2-CG1 4.38Å; F121-V125 HydrophobicContact CG-CG1 4.37Å; F121-R126 HydrophobicContact CB-CG 4Å; F121-L129 HydrophobicContact CD2-CD1 4.1Å; F121-L129 HydrophobicContact CE2-CD1 4.28Å
122A97Very high95.9Very high60 Ų6057.9 Ų57.950%0.49634%0.339SS..  trans-58145.917400000110.8G124 V125 R126A122-G124 VanDerWaalsContact C-N 3.29Å; A122-G124 PolarHBondContact O-N 3.36Å; A122-V125 HydrophobicContact CB-CG2 4.35Å; A122-V125 WeakPolarHBondContact O-CB 3.42Å; A122-V125 PolarHBondContact O-N 2.86Å; A122-R126 PolarHBondContact O-N 3.42Å
123P95.9Very high95.9Very high82 Ų8255.6 Ų55.653%0.53233%0.328SS..Hα-helixtrans-50.1-45.2-178.4-2935.1000114V125 R126 D127P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 3.31Å; P123-R126 WeakPolarHBondContact O-CB 3.23Å; P123-R126 PolarHBondContact O-N 3.4Å; P123-D127 VanDerWaalsContact O-CG 3.31Å; P123-D127 PolarHBondContact O-N 3.23Å
124G96.5Very high96Very high49 Ų4954.6 Ų54.651%0.50532%0.323SS..Hα-helixtrans-61.9-31179.400000114.5A122 A128A122-G124 VanDerWaalsContact C-N 3.29Å; A122-G124 PolarHBondContact O-N 3.36Å; G124-A128 PolarHBondContact O-N 2.91Å
125V97.5Very high96Very high70 Ų7056.1 Ų56.142%0.42433%0.331SS..Hα-helixtrans-70.9-40.3174.8179.90000110.3F121 A122 P123 D127 A128 L129F121-V125 HydrophobicContact CB-CB 4.41Å; F121-V125 HydrophobicContact CB-CG1 4.44Å; F121-V125 HydrophobicContact CD2-CG1 3.73Å; F121-V125 HydrophobicContact CE2-CG1 4.38Å; F121-V125 HydrophobicContact CG-CG1 4.37Å; A122-V125 HydrophobicContact CB-CG2 4.35Å; A122-V125 WeakPolarHBondContact O-CB 3.42Å; A122-V125 PolarHBondContact O-N 2.86Å; P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 3.31Å; V125-D127 VanDerWaalsContact C-N 3.32Å; V125-D127 PolarHBondContact O-N 3.44Å; V125-A128 PolarHBondContact O-N 3.28Å; V125-L129 HydrophobicContact CG1-CD1 4.32Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 3Å
126R97.4Very high95.9Very high53 Ų5358.8 Ų58.820%0.234%0.344CS..Hα-helixtrans-65.9-36.4175.9-61.5-168.9-70.2-153.5-3.5112.2A114 A115 Y118 F121 A122 P123 L129 S130A114-R126 HydrophobicContact CB-CB 4.19Å; A114-R126 WeakPolarHBondContact O-CD 3.27Å; A115-R126 PolarHBondContact O-NH1 3.01Å; Y118-R126 WeakPolarHBondContact O-CD 3.5Å; F121-R126 HydrophobicContact CB-CG 4Å; A122-R126 PolarHBondContact O-N 3.42Å; P123-R126 WeakPolarHBondContact O-CB 3.23Å; P123-R126 PolarHBondContact O-N 3.4Å; R126-L129 PolarHBondContact O-N 2.94Å; R126-S130 WeakPolarHBondContact O-CB 3.29Å; R126-S130 PolarHBondContact O-N 2.9Å; R126-S130 PolarHBondContact O-OG 3.22Å
127D97Very high96Very high89 Ų8954.4 Ų54.448%0.47633%0.328SS..Hα-helixtrans-65.7-43.2175.7-66.3-22.7000111.1P123 V125 S130 L131P123-D127 VanDerWaalsContact O-CG 3.31Å; P123-D127 PolarHBondContact O-N 3.23Å; V125-D127 VanDerWaalsContact C-N 3.32Å; V125-D127 PolarHBondContact O-N 3.44Å; D127-S130 PolarHBondContact O-N 3Å; D127-L131 WeakPolarHBondContact O-CB 3.33Å; D127-L131 PolarHBondContact O-N 3.43Å
128A97.1Very high96Very high56 Ų5654.4 Ų54.446%0.46333%0.327SS..Hα-helixtrans-61.6-45.3174.700000112.2G124 V125 S130 L131 E132G124-A128 PolarHBondContact O-N 2.91Å; V125-A128 PolarHBondContact O-N 3.28Å; A128-S130 VanDerWaalsContact C-N 3.33Å; A128-S130 PolarHBondContact O-N 3.27Å; A128-L131 WeakPolarHBondContact O-CB 3.43Å; A128-L131 PolarHBondContact O-N 3.45Å; A128-E132 PolarHBondContact O-N 3.47Å
129L97.4Very high95.7Very high41 Ų4153.8 Ų53.822%0.21533%0.331CS..Hα-helixtrans-61.3-41.5175.1-70.1169.6000111.8F92 Y118 F121 V125 R126 L131 E132 R133F92-L129 HydrophobicContact CE1-CB 4.28Å; F92-L129 HydrophobicContact CZ-CB 4.03Å; Y118-L129 HydrophobicContact CD2-CD1 3.81Å; Y118-L129 HydrophobicContact CE2-CD1 3.84Å; Y118-L129 HydrophobicContact CG-CD1 4.4Å; F121-L129 HydrophobicContact CD2-CD1 4.1Å; F121-L129 HydrophobicContact CE2-CD1 4.28Å; V125-L129 HydrophobicContact CG1-CD1 4.32Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 3Å; R126-L129 PolarHBondContact O-N 2.94Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-E132 PolarHBondContact O-N 3.28Å; L129-R133 WeakPolarHBondContact O-CB 3.38Å; L129-R133 PolarHBondContact O-N 2.65Å
130S98.1Very high95.6Very high0 Ų056 Ų560%035%0.346CS..Hα-helixtrans-65.1-40.1178.2-57.30000111.4A114 R126 D127 A128 R133 F134A114-S130 VanDerWaalsContact CB-OG 3.24Å; A114-S130 WeakPolarHBondContact CB-OG 3.44Å; R126-S130 WeakPolarHBondContact O-CB 3.29Å; R126-S130 PolarHBondContact O-N 2.9Å; R126-S130 PolarHBondContact O-OG 3.22Å; D127-S130 PolarHBondContact O-N 3Å; A128-S130 VanDerWaalsContact C-N 3.33Å; A128-S130 PolarHBondContact O-N 3.27Å; S130-R133 PolarHBondContact O-N 3Å; S130-F134 WeakPolarHBondContact O-CB 3.47Å; S130-F134 PolarHBondContact O-N 3.2Å
131L97.7Very high95.2Very high26 Ų2655.7 Ų55.714%0.13633%0.328CS..Hα-helixtrans-62.6-49.8174.3172.160.7000111.8D127 A128 L129 R133 F134 L135 P152 A158D127-L131 WeakPolarHBondContact O-CB 3.33Å; D127-L131 PolarHBondContact O-N 3.43Å; A128-L131 WeakPolarHBondContact O-CB 3.43Å; A128-L131 PolarHBondContact O-N 3.45Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L131-R133 VanDerWaalsContact C-N 3.27Å; L131-R133 PolarHBondContact O-N 3.4Å; L131-F134 WeakPolarHBondContact O-CB 3.24Å; L131-F134 PolarHBondContact O-N 2.88Å; L131-F134 VanDerWaalsContact O-N 3.14Å; L131-L135 HydrophobicContact CD1-CD1 4.03Å; L131-L135 HydrophobicContact CD1-CD2 4.49Å; L131-L135 HydrophobicContact CD1-CG 4.01Å; L131-L135 HydrophobicContact CG-CD1 4.2Å; L131-L135 WeakPolarHBondContact O-CG 3.39Å; L131-L135 PolarHBondContact O-N 2.74Å; L131-P152 HydrophobicContact CD1-CG 4.14Å; L131-P152 WeakPolarHBondContact CD2-O 3.41Å; L131-A158 HydrophobicContact CD1-CB 3.55Å
132E95.9Very high94.7Very high126 Ų12657.5 Ų57.559%0.58934%0.337SS*.Hα-helixtrans-57-44.4177.4-174.6-171.3163.800111.2A128 L129 F134 L135 T136A128-E132 PolarHBondContact O-N 3.47Å; L129-E132 PolarHBondContact O-N 3.28Å; E132-F134 PolarHBondContact O-N 2.93Å; E132-L135 PolarHBondContact O-N 3.29Å; E132-T136 PolarHBondContact O-N 3.26Å; E132-T136 PolarHBondContact O-OG1 2.9Å
133R96.5Very high94.2Very high42 Ų4256 Ų5616%0.15832%0.319CS..Hα-helixtrans-62.4-44.2176.5-179.250.3178.8-146.97.8111.9F92 R93 R95 L110 L129 S130 L131 T136 E137F92-R133 HydrophobicContact CE2-CB 4.42Å; F92-R133 HydrophobicContact CZ-CB 4Å; F92-R133 HydrophobicContact CZ-CG 4.47Å; R93-R133 PolarHBondContact O-NH1 3Å; R93-R133 PolarHBondContact O-NH2 2.71Å; R93-R133 VanDerWaalsContact O-NH2 3.1Å; R95-R133 PolarHBondContact O-NE 3.38Å; R95-R133 VanDerWaalsContact O-NE 3.09Å; R95-R133 PolarHBondContact O-NH2 3.31Å; L110-R133 HydrophobicContact CD1-CB 4.35Å; L110-R133 HydrophobicContact CD1-CG 4.03Å; L110-R133 HydrophobicContact CD2-CB 4.35Å; L110-R133 HydrophobicContact CD2-CG 3.51Å; L110-R133 HydrophobicContact CG-CG 4.45Å; L129-R133 WeakPolarHBondContact O-CB 3.38Å; L129-R133 PolarHBondContact O-N 2.65Å; S130-R133 PolarHBondContact O-N 3Å; L131-R133 VanDerWaalsContact C-N 3.27Å; L131-R133 PolarHBondContact O-N 3.4Å; R133-T136 WeakPolarHBondContact O-CB 3.44Å; R133-T136 PolarHBondContact O-N 2.92Å; R133-E137 PolarHBondContact O-N 3.44Å
134F97.5Very high93.9Very high0 Ų052.1 Ų52.10%029%0.294CS..Hα-helixtrans-60.1-46.5177.4-177.6-86.2000111.9W103 F106 A107 L110 S130 L131 E132 T136 E137 L138 L155 A158 V159 A162W103-F134 HydrophobicContact CB-CE2 4.41Å; W103-F134 HydrophobicContact CB-CZ 4.33Å; W103-F134 HydrophobicContact CD2-CE2 4.39Å; W103-F134 HydrophobicContact CD2-CZ 4.12Å; W103-F134 AromaticContact CE3-CE2 3.54Å; W103-F134 HydrophobicContact CE3-CE2 3.54Å; W103-F134 AromaticContact CE3-CZ 3.55Å; W103-F134 HydrophobicContact CE3-CZ 3.55Å; W103-F134 HydrophobicContact CG-CZ 4.46Å; W103-F134 HydrophobicContact CZ3-CE2 4.24Å; W103-F134 HydrophobicContact CZ3-CZ 4.23Å; F106-F134 AromaticContact CD1-CD2 3.59Å; F106-F134 HydrophobicContact CD1-CD2 3.59Å; F106-F134 AromaticContact CD1-CE2 3.83Å; F106-F134 HydrophobicContact CD1-CE2 3.83Å; F106-F134 AromaticContact CE1-CD2 3.82Å; F106-F134 HydrophobicContact CE1-CD2 3.82Å; F106-F134 HydrophobicContact CE1-CE2 4.42Å; A107-F134 HydrophobicContact CB-CD2 4.16Å; A107-F134 HydrophobicContact CB-CE2 4.17Å; L110-F134 HydrophobicContact CD1-CB 3.95Å; L110-F134 HydrophobicContact CD1-CD2 4.36Å; S130-F134 WeakPolarHBondContact O-CB 3.47Å; S130-F134 PolarHBondContact O-N 3.2Å; L131-F134 WeakPolarHBondContact O-CB 3.24Å; L131-F134 PolarHBondContact O-N 2.88Å; L131-F134 VanDerWaalsContact O-N 3.14Å; E132-F134 PolarHBondContact O-N 2.93Å; F134-T136 VanDerWaalsContact C-N 3.27Å; F134-T136 PolarHBondContact O-N 3.34Å; F134-E137 WeakPolarHBondContact O-CB 3.41Å; F134-E137 PolarHBondContact O-N 3.3Å; F134-E137 VanDerWaalsContact O-N 3.08Å; F134-L138 HydrophobicContact CD1-CD2 4.44Å; F134-L138 HydrophobicContact CD1-CG 4.48Å; F134-L138 HydrophobicContact CE1-CD1 4.43Å; F134-L138 HydrophobicContact CE1-CD2 3.81Å; F134-L138 HydrophobicContact CE1-CG 4.27Å; F134-L138 HydrophobicContact CZ-CD2 4.21Å; F134-L138 PolarHBondContact O-N 3.04Å; F134-L155 HydrophobicContact CB-CD1 3.4Å; F134-L155 HydrophobicContact CD1-CD1 4.31Å; F134-L155 HydrophobicContact CD2-CD1 3.74Å; F134-L155 HydrophobicContact CG-CD1 3.56Å; F134-A158 HydrophobicContact CD1-CB 3.78Å; F134-A158 HydrophobicContact CE1-CB 3.83Å; F134-V159 HydrophobicContact CD2-CG2 4.32Å; F134-V159 HydrophobicContact CE1-CG2 4.36Å; F134-V159 HydrophobicContact CE2-CG2 3.55Å; F134-V159 HydrophobicContact CZ-CB 4.3Å; F134-V159 HydrophobicContact CZ-CG2 3.6Å; F134-A162 HydrophobicContact CE1-CB 4.22Å; F134-A162 HydrophobicContact CZ-CB 4.2Å
135L95.5Very high93.7Very high32 Ų3251 Ų5117%0.16828%0.278CS..Hα-helixtrans-64.2-32.1179-68.4177000113.2L131 E132 L138 V147 R148 P152 A158L131-L135 HydrophobicContact CD1-CD1 4.03Å; L131-L135 HydrophobicContact CD1-CD2 4.49Å; L131-L135 HydrophobicContact CD1-CG 4.01Å; L131-L135 HydrophobicContact CG-CD1 4.2Å; L131-L135 WeakPolarHBondContact O-CG 3.39Å; L131-L135 PolarHBondContact O-N 2.74Å; E132-L135 PolarHBondContact O-N 3.29Å; L135-L138 HydrophobicContact CD2-CD1 3.95Å; L135-V147 HydrophobicContact CD2-CG1 4.07Å; L135-R148 HydrophobicContact CB-CG 4.33Å; L135-R148 HydrophobicContact CD2-CG 4.22Å; L135-R148 PolarHBondContact O-NH1 3.07Å; L135-P152 HydrophobicContact CD1-CG 4.35Å; L135-P152 HydrophobicContact CD2-CG 3.95Å; L135-A158 HydrophobicContact CD2-CB 4.22Å
136T93.7Very high93.4Very high94 Ų9449.9 Ų49.958%0.57727%0.271SS*.Hα-helixtrans-68.4-38.4173-56.40000111.2E132 R133 F134 L138E132-T136 PolarHBondContact O-N 3.26Å; E132-T136 PolarHBondContact O-OG1 2.9Å; R133-T136 WeakPolarHBondContact O-CB 3.44Å; R133-T136 PolarHBondContact O-N 2.92Å; F134-T136 VanDerWaalsContact C-N 3.27Å; F134-T136 PolarHBondContact O-N 3.34Å; T136-L138 VanDerWaalsContact C-N 3.29Å; T136-L138 PolarHBondContact O-N 3.3Å
137E95.4Very high93.3Very high19 Ų1947.4 Ų47.49%0.08926%0.262CS..Hα-helixtrans-66.2-29.4179.3-17360.7-15700113.3R96 K97 W103 F106 R133 F134 G139R96-E137 WeakPolarHBondContact CA-OE2 3.41Å; R96-E137 WeakPolarHBondContact CD-OE2 3.34Å; R96-E137 IonicContact CZ-OE1 3.68Å; R96-E137 IonicContact CZ-OE2 3.66Å; R96-E137 IonicContact NE-OE1 3.83Å; R96-E137 PolarHBondContact NE-OE1 2.93Å; R96-E137 IonicContact NE-OE2 2.72Å; R96-E137 PolarHBondContact NE-OE2 3.46Å; R96-E137 IonicContact NH2-OE1 3.67Å; R96-E137 PolarHBondContact NH2-OE1 3.17Å; R96-E137 VanDerWaalsContact NH2-OE1 3.13Å; R96-E137 IonicContact NH2-OE2 3.94Å; K97-E137 HydrophobicContact CB-CG 3.84Å; K97-E137 VanDerWaalsContact N-CD 3.35Å; K97-E137 PolarHBondContact N-OE1 3.48Å; W103-E137 HydrophobicContact CZ3-CG 4.43Å; F106-E137 HydrophobicContact CE1-CB 3.62Å; F106-E137 HydrophobicContact CE1-CG 3.61Å; F106-E137 HydrophobicContact CE2-CG 4.25Å; F106-E137 HydrophobicContact CZ-CB 3.67Å; F106-E137 HydrophobicContact CZ-CG 3.46Å; F106-E137 VanDerWaalsContact CZ-CG 3.46Å; R133-E137 PolarHBondContact O-N 3.44Å; F134-E137 WeakPolarHBondContact O-CB 3.41Å; F134-E137 PolarHBondContact O-N 3.3Å; F134-E137 VanDerWaalsContact O-N 3.08Å; E137-G139 PolarHBondContact O-N 2.96Å
138L93Very high93.1Very high4 Ų447.1 Ų47.12%0.02125%0.254CS..THydrogen-bonded Turntrans-56.3-20.2-177.9-64.2179.3000113.7W103 F134 L135 T136 W143 A144 V147 A162W103-L138 HydrophobicContact CE3-CD2 4.27Å; W103-L138 HydrophobicContact CH2-CD2 3.65Å; W103-L138 HydrophobicContact CZ2-CD2 4.06Å; W103-L138 HydrophobicContact CZ3-CD2 3.75Å; F134-L138 HydrophobicContact CD1-CD2 4.44Å; F134-L138 HydrophobicContact CD1-CG 4.48Å; F134-L138 HydrophobicContact CE1-CD1 4.43Å; F134-L138 HydrophobicContact CE1-CD2 3.81Å; F134-L138 HydrophobicContact CE1-CG 4.27Å; F134-L138 HydrophobicContact CZ-CD2 4.21Å; F134-L138 PolarHBondContact O-N 3.04Å; L135-L138 HydrophobicContact CD2-CD1 3.95Å; T136-L138 VanDerWaalsContact C-N 3.29Å; T136-L138 PolarHBondContact O-N 3.3Å; L138-W143 HydrophobicContact CD2-CH2 3.85Å; L138-W143 HydrophobicContact CD2-CZ3 4.04Å; L138-A144 HydrophobicContact CB-CB 3.62Å; L138-A144 WeakPolarHBondContact O-CB 3.48Å; L138-V147 HydrophobicContact CD1-CB 3.81Å; L138-V147 HydrophobicContact CD1-CG1 3.73Å; L138-V147 HydrophobicContact CD1-CG2 4.32Å; L138-A162 HydrophobicContact CD2-CB 3.84Å
139G89.3Confident92.9Very high21 Ų2152.1 Ų52.122%0.21626%0.261CS..  trans81.7-177.7174.100000114.4E137 E141 R148E137-G139 PolarHBondContact O-N 2.96Å; G139-E141 VanDerWaalsContact C-N 3.27Å; G139-E141 VanDerWaalsContact CA-OE2 3.24Å; G139-E141 WeakPolarHBondContact CA-OE2 3.49Å; G139-E141 PolarHBondContact O-N 3.06Å; G139-R148 VanDerWaalsContact O-CZ 3.28Å; G139-R148 PolarHBondContact O-NH1 3.45Å; G139-R148 PolarHBondContact O-NH2 3.38Å
140P88.7Confident92.7Very high117 Ų11752.7 Ų52.776%0.7627%0.272SS*.SBendtrans-80.11.2-174.434.2-36.7000114.4
141E86.1Confident92.5Very high91 Ų9159.1 Ų59.143%0.42531%0.306SS..  trans-60.3148.3-176.1-65.883.7167.800112.6G139 W143 A144 S145G139-E141 VanDerWaalsContact C-N 3.27Å; G139-E141 VanDerWaalsContact CA-OE2 3.24Å; G139-E141 WeakPolarHBondContact CA-OE2 3.49Å; G139-E141 PolarHBondContact O-N 3.06Å; E141-W143 VanDerWaalsContact C-N 3.33Å; E141-W143 VanDerWaalsContact CB-CD1 3.49Å; E141-W143 HydrophobicContact CB-CG 4.28Å; E141-W143 VanDerWaalsContact CB-NE1 3.31Å; E141-W143 PolarHBondContact O-N 3.06Å; E141-A144 HydrophobicContact CB-CB 4.22Å; E141-A144 VanDerWaalsContact O-CB 3.32Å; E141-A144 WeakPolarHBondContact O-CB 3.41Å; E141-A144 PolarHBondContact O-N 2.84Å; E141-S145 PolarHBondContact O-N 2.98Å; E141-S145 PolarHBondContact O-OG 3.16Å
142E84.7Confident92.4Very high136 Ų13658.1 Ų58.164%0.63630%0.301SS*.Hα-helixtrans-61.7-40-179.3-74.9-56.8141.100112.8A144 S145 T146E142-A144 VanDerWaalsContact C-N 3.26Å; E142-A144 PolarHBondContact O-N 3.39Å; E142-S145 WeakPolarHBondContact O-CB 3.32Å; E142-S145 PolarHBondContact O-N 3.17Å; E142-T146 PolarHBondContact O-N 3.4Å; E142-T146 VanDerWaalsContact O-N 3.15Å; E142-T146 PolarHBondContact O-OG1 3.08Å
143W87.8Confident92.3Very high29 Ų2957 Ų5711%0.1131%0.308CS..Hα-helixtrans-61.8-36.5175.374-100000111.4W103 L138 E141 T146 V147 A162 Q165 E166 E169W103-W143 HydrophobicContact CH2-CH2 4.42Å; W103-W143 AromaticContact CZ2-CH2 3.74Å; W103-W143 HydrophobicContact CZ2-CH2 3.74Å; W103-W143 HydrophobicContact CZ2-CZ2 4.36Å; L138-W143 HydrophobicContact CD2-CH2 3.85Å; L138-W143 HydrophobicContact CD2-CZ3 4.04Å; E141-W143 VanDerWaalsContact C-N 3.33Å; E141-W143 VanDerWaalsContact CB-CD1 3.49Å; E141-W143 HydrophobicContact CB-CG 4.28Å; E141-W143 VanDerWaalsContact CB-NE1 3.31Å; E141-W143 PolarHBondContact O-N 3.06Å; W143-T146 WeakPolarHBondContact O-CB 3.4Å; W143-T146 PolarHBondContact O-N 2.97Å; W143-V147 HydrophobicContact CE3-CG2 4.4Å; W143-V147 HydrophobicContact CZ3-CG2 4.43Å; W143-V147 PolarHBondContact O-N 3.42Å; W143-A162 HydrophobicContact CZ3-CB 4.05Å; W143-Q165 HydrophobicContact CB-CB 4.2Å; W143-Q165 HydrophobicContact CE3-CB 3.85Å; W143-E166 HydrophobicContact CE3-CB 4.45Å; W143-E166 HydrophobicContact CZ3-CB 4.46Å; W143-E169 HydrophobicContact CB-CB 4.1Å; W143-E169 HydrophobicContact CB-CG 4.42Å; W143-E169 HydrophobicContact CG-CB 4.38Å; W143-E169 HydrophobicContact CG-CG 4.49Å
144A90Very high92.3Very high0 Ų057.5 Ų57.50%032%0.317CS..Hα-helixtrans-69-37.4176.700000111.8L138 E141 E142 T146 V147 R148L138-A144 HydrophobicContact CB-CB 3.62Å; L138-A144 WeakPolarHBondContact O-CB 3.48Å; E141-A144 HydrophobicContact CB-CB 4.22Å; E141-A144 VanDerWaalsContact O-CB 3.32Å; E141-A144 WeakPolarHBondContact O-CB 3.41Å; E141-A144 PolarHBondContact O-N 2.84Å; E142-A144 VanDerWaalsContact C-N 3.26Å; E142-A144 PolarHBondContact O-N 3.39Å; A144-T146 VanDerWaalsContact C-N 3.26Å; A144-T146 PolarHBondContact O-N 2.81Å; A144-V147 PolarHBondContact O-N 3.45Å; A144-R148 PolarHBondContact O-N 2.83Å; A144-R148 VanDerWaalsContact O-N 3.09Å
145S91Very high92.3Very high24 Ų2458 Ų5817%0.16832%0.32CS..Hα-helixtrans-62.6-33.1173.7-680000112.3E141 E142 R148 R149E141-S145 PolarHBondContact O-N 2.98Å; E141-S145 PolarHBondContact O-OG 3.16Å; E142-S145 WeakPolarHBondContact O-CB 3.32Å; E142-S145 PolarHBondContact O-N 3.17Å; S145-R148 PolarHBondContact O-N 3.41Å; S145-R148 PolarHBondContact OG-NH2 3.06Å; S145-R149 WeakPolarHBondContact O-CB 3.39Å; S145-R149 WeakPolarHBondContact O-CG 3.48Å; S145-R149 PolarHBondContact O-N 3.24Å
146T92Very high92.3Very high48 Ų4860.3 Ų60.329%0.29433%0.331SS..Hα-helixtrans-64.7-41.6173-62.10000112.1E142 W143 A144 R149 A150 Q165E142-T146 PolarHBondContact O-N 3.4Å; E142-T146 VanDerWaalsContact O-N 3.15Å; E142-T146 PolarHBondContact O-OG1 3.08Å; W143-T146 WeakPolarHBondContact O-CB 3.4Å; W143-T146 PolarHBondContact O-N 2.97Å; A144-T146 VanDerWaalsContact C-N 3.26Å; A144-T146 PolarHBondContact O-N 2.81Å; T146-R149 PolarHBondContact O-N 3.21Å; T146-R149 PolarHBondContact OG1-NH2 2.74Å; T146-R149 VanDerWaalsContact OG1-NH2 3.09Å; T146-A150 WeakPolarHBondContact O-CB 3.11Å; T146-A150 PolarHBondContact O-N 2.92Å; T146-Q165 HydrophobicContact CG2-CG 4.31Å
147V94Very high92.4Very high1 Ų157.5 Ų57.51%0.00631%0.312CS..Hα-helixtrans-61.3-47.2175-178.40000110.9L135 L138 W143 A144 R149 A150 P152 M161 A162 Q165L135-V147 HydrophobicContact CD2-CG1 4.07Å; L138-V147 HydrophobicContact CD1-CB 3.81Å; L138-V147 HydrophobicContact CD1-CG1 3.73Å; L138-V147 HydrophobicContact CD1-CG2 4.32Å; W143-V147 HydrophobicContact CE3-CG2 4.4Å; W143-V147 HydrophobicContact CZ3-CG2 4.43Å; W143-V147 PolarHBondContact O-N 3.42Å; A144-V147 PolarHBondContact O-N 3.45Å; V147-R149 PolarHBondContact O-N 3.01Å; V147-A150 PolarHBondContact O-N 3.49Å; V147-P152 WeakPolarHBondContact O-CD 3.22Å; V147-M161 HydrophobicContact CG1-CB 3.95Å; V147-M161 HydrophobicContact CG2-CB 4.22Å; V147-A162 HydrophobicContact CG2-CB 4.44Å; V147-Q165 HydrophobicContact CG2-CB 4.11Å; V147-Q165 HydrophobicContact CG2-CG 3.81Å
148R93.7Very high92.5Very high82 Ų8256.6 Ų56.631%0.30931%0.308SS..Hα-helixtrans-61-45.4178.5-73.1-176.7-71.7-95.7-0.1112.6L135 G139 A144 S145 A150 N151L135-R148 HydrophobicContact CB-CG 4.33Å; L135-R148 HydrophobicContact CD2-CG 4.22Å; L135-R148 PolarHBondContact O-NH1 3.07Å; G139-R148 VanDerWaalsContact O-CZ 3.28Å; G139-R148 PolarHBondContact O-NH1 3.45Å; G139-R148 PolarHBondContact O-NH2 3.38Å; A144-R148 PolarHBondContact O-N 2.83Å; A144-R148 VanDerWaalsContact O-N 3.09Å; S145-R148 PolarHBondContact O-N 3.41Å; S145-R148 PolarHBondContact OG-NH2 3.06Å; R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.28Å; R148-N151 PolarHBondContact O-N 3.36Å
149R93Very high92.7Very high162 Ų16256.4 Ų56.461%0.61131%0.307SS*.Hα-helixtrans-64.7-31.7179.2-76.8-174.9-64.9-107.4-0.7113.1S145 T146 V147 N151S145-R149 WeakPolarHBondContact O-CB 3.39Å; S145-R149 WeakPolarHBondContact O-CG 3.48Å; S145-R149 PolarHBondContact O-N 3.24Å; T146-R149 PolarHBondContact O-N 3.21Å; T146-R149 PolarHBondContact OG1-NH2 2.74Å; T146-R149 VanDerWaalsContact OG1-NH2 3.09Å; V147-R149 PolarHBondContact O-N 3.01Å; R149-N151 PolarHBondContact O-N 3.22Å
150A93.9Very high93Very high53 Ų5361.7 Ų61.744%0.43832%0.32SS..THydrogen-bonded Turntrans-74.9-4.2179.400000113.2T146 V147 R148 M161T146-A150 WeakPolarHBondContact O-CB 3.11Å; T146-A150 PolarHBondContact O-N 2.92Å; V147-A150 PolarHBondContact O-N 3.49Å; R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.28Å; A150-M161 HydrophobicContact CB-CE 3.14Å
151N92.9Very high93.3Very high134 Ų13457.9 Ų57.972%0.71729%0.293SS*.  trans51.764.5170.2-168.740.1000113.7R148 R149 S153R148-N151 PolarHBondContact O-N 3.36Å; R149-N151 PolarHBondContact O-N 3.22Å; N151-S153 PolarHBondContact O-N 3.11Å
152P95.7Very high93.8Very high5 Ų553.5 Ų53.53%0.03227%0.273CS..  trans-56.9136179.920.5-31000111.6L131 L135 V147 S154 D157 A158 M161L131-P152 HydrophobicContact CD1-CG 4.14Å; L131-P152 WeakPolarHBondContact CD2-O 3.41Å; L135-P152 HydrophobicContact CD1-CG 4.35Å; L135-P152 HydrophobicContact CD2-CG 3.95Å; V147-P152 WeakPolarHBondContact O-CD 3.22Å; P152-S154 VanDerWaalsContact C-N 3.34Å; P152-D157 HydrophobicContact CB-CB 4.03Å; P152-A158 HydrophobicContact CB-CB 3.79Å; P152-A158 HydrophobicContact CG-CB 3.68Å; P152-M161 HydrophobicContact CB-SD 3.8Å; P152-M161 HydrophobicContact CG-SD 4.4Å
153S93.8Very high94.2Very high104 Ų10450 Ų5073%0.72726%0.258SS*.SBendtrans-79.6-16.8-177.158.70000113.9N151 D157N151-S153 PolarHBondContact O-N 3.11Å; S153-D157 PolarHBondContact N-OD2 3.36Å; S153-D157 PolarHBondContact OG-OD2 3.06Å
154S96.7Very high94.5Very high51 Ų5154.5 Ų54.536%0.35728%0.28SS..SBendtrans-152163.3-178.367.60000111.3P152 M156 D157 A158P152-S154 VanDerWaalsContact C-N 3.34Å; S154-M156 VanDerWaalsContact C-N 3.28Å; S154-M156 PolarHBondContact O-N 2.75Å; S154-D157 WeakPolarHBondContact O-CB 3.26Å; S154-D157 PolarHBondContact O-N 3.19Å; S154-D157 VanDerWaalsContact O-N 3.11Å; S154-D157 WeakPolarHBondContact OG-CB 3.31Å; S154-D157 PolarHBondContact OG-N 3.27Å; S154-A158 PolarHBondContact O-N 3.05Å
155L96.7Very high94.6Very high12 Ų1257.2 Ų57.26%0.06329%0.292CS..Hα-helixtrans-57-40.5176.1-179.261.1000112.5A107 S111 F134 D157 A158 V159A107-L155 HydrophobicContact CB-CD1 4.01Å; A107-L155 HydrophobicContact CB-CD2 3.87Å; A107-L155 HydrophobicContact CB-CG 3.86Å; S111-L155 VanDerWaalsContact OG-CD2 3.29Å; S111-L155 WeakPolarHBondContact OG-CD2 3.26Å; F134-L155 HydrophobicContact CB-CD1 3.4Å; F134-L155 HydrophobicContact CD1-CD1 4.31Å; F134-L155 HydrophobicContact CD2-CD1 3.74Å; F134-L155 HydrophobicContact CG-CD1 3.56Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-A158 PolarHBondContact O-N 3.33Å; L155-V159 WeakPolarHBondContact O-CG2 3.41Å; L155-V159 PolarHBondContact O-N 2.72Å
156M96.4Very high94.5Very high79 Ų7959 Ų5939%0.38930%0.298SS..Hα-helixtrans-70.6-31.2177.7-68.4-60.99400112.9F104 A107 S154 V159 R160F104-M156 HydrophobicContact CD1-SD 4.43Å; A107-M156 HydrophobicContact CB-CE 3.63Å; S154-M156 VanDerWaalsContact C-N 3.28Å; S154-M156 PolarHBondContact O-N 2.75Å; M156-V159 HydrophobicContact CE-CB 4.43Å; M156-V159 HydrophobicContact CE-CG2 3.83Å; M156-V159 PolarHBondContact O-N 3.47Å; M156-R160 WeakPolarHBondContact O-CG 3.39Å; M156-R160 PolarHBondContact O-N 3.19Å
157D96.2Very high94.4Very high36 Ų3659.4 Ų59.419%0.19331%0.306CS..Hα-helixtrans-64.2-47.5172-156.330000110.6P152 S153 S154 L155 V159 R160 M161P152-D157 HydrophobicContact CB-CB 4.03Å; S153-D157 PolarHBondContact N-OD2 3.36Å; S153-D157 PolarHBondContact OG-OD2 3.06Å; S154-D157 WeakPolarHBondContact O-CB 3.26Å; S154-D157 PolarHBondContact O-N 3.19Å; S154-D157 VanDerWaalsContact O-N 3.11Å; S154-D157 WeakPolarHBondContact OG-CB 3.31Å; S154-D157 PolarHBondContact OG-N 3.27Å; L155-D157 VanDerWaalsContact C-N 3.34Å; D157-V159 VanDerWaalsContact C-N 3.33Å; D157-V159 PolarHBondContact O-N 3.41Å; D157-R160 PolarHBondContact O-N 2.98Å; D157-R160 IonicContact OD1-CZ 3.92Å; D157-R160 IonicContact OD1-NE 3.73Å; D157-R160 IonicContact OD1-NH2 3.29Å; D157-R160 PolarHBondContact OD1-NH2 3.41Å; D157-M161 WeakPolarHBondContact O-CG 3.45Å; D157-M161 PolarHBondContact O-N 3.41Å
158A97.1Very high94.2Very high0 Ų062.3 Ų62.30%032%0.324CS..Hα-helixtrans-58.8-41.3175.200000112.7L131 F134 L135 P152 S154 L155 M161 A162L131-A158 HydrophobicContact CD1-CB 3.55Å; F134-A158 HydrophobicContact CD1-CB 3.78Å; F134-A158 HydrophobicContact CE1-CB 3.83Å; L135-A158 HydrophobicContact CD2-CB 4.22Å; P152-A158 HydrophobicContact CB-CB 3.79Å; P152-A158 HydrophobicContact CG-CB 3.68Å; S154-A158 PolarHBondContact O-N 3.05Å; L155-A158 PolarHBondContact O-N 3.33Å; A158-M161 PolarHBondContact O-N 3.26Å; A158-A162 VanDerWaalsContact O-CB 3.3Å; A158-A162 WeakPolarHBondContact O-CB 3.45Å; A158-A162 PolarHBondContact O-N 3.3Å
159V97Very high93.9Very high0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-61.1-48.9175.8169.90000111.5W103 F104 A107 F134 L155 M156 D157 M161 A162 I163W103-V159 HydrophobicContact CB-CG1 4Å; F104-V159 HydrophobicContact CD1-CG1 3.67Å; F104-V159 HydrophobicContact CD2-CG1 4.26Å; F104-V159 HydrophobicContact CE1-CG1 3.65Å; F104-V159 HydrophobicContact CE2-CG1 4.25Å; F104-V159 HydrophobicContact CG-CG1 3.97Å; F104-V159 HydrophobicContact CZ-CG1 3.96Å; A107-V159 HydrophobicContact CB-CG2 3.49Å; A107-V159 VanDerWaalsContact CB-CG2 3.49Å; F134-V159 HydrophobicContact CD2-CG2 4.32Å; F134-V159 HydrophobicContact CE1-CG2 4.36Å; F134-V159 HydrophobicContact CE2-CG2 3.55Å; F134-V159 HydrophobicContact CZ-CB 4.3Å; F134-V159 HydrophobicContact CZ-CG2 3.6Å; L155-V159 WeakPolarHBondContact O-CG2 3.41Å; L155-V159 PolarHBondContact O-N 2.72Å; M156-V159 HydrophobicContact CE-CB 4.43Å; M156-V159 HydrophobicContact CE-CG2 3.83Å; M156-V159 PolarHBondContact O-N 3.47Å; D157-V159 VanDerWaalsContact C-N 3.33Å; D157-V159 PolarHBondContact O-N 3.41Å; V159-M161 VanDerWaalsContact C-N 3.31Å; V159-M161 PolarHBondContact O-N 3.09Å; V159-A162 PolarHBondContact O-N 3.02Å; V159-I163 HydrophobicContact CG1-CD1 3.81Å; V159-I163 WeakPolarHBondContact O-CG1 3.48Å; V159-I163 PolarHBondContact O-N 3.35Å
160R96.2Very high93.6Very high131 Ų13159.9 Ų59.949%0.49432%0.323SS..Hα-helixtrans-58.5-45.5178.3-72.9-173.7-57.5-118.92.4111.4M156 D157 I163 Q164M156-R160 WeakPolarHBondContact O-CG 3.39Å; M156-R160 PolarHBondContact O-N 3.19Å; D157-R160 PolarHBondContact O-N 2.98Å; D157-R160 IonicContact OD1-CZ 3.92Å; D157-R160 IonicContact OD1-NE 3.73Å; D157-R160 IonicContact OD1-NH2 3.29Å; D157-R160 PolarHBondContact OD1-NH2 3.41Å; R160-I163 PolarHBondContact O-N 3.17Å; R160-Q164 WeakPolarHBondContact O-CG 3.28Å; R160-Q164 PolarHBondContact O-N 3.11Å
161M95.4Very high93.3Very high37 Ų3759.8 Ų59.818%0.18232%0.323CS..Hα-helixtrans-65.2-42.9179.7-64.9170.7104.100111.7V147 A150 P152 D157 A158 V159 I163 Q164 Q165V147-M161 HydrophobicContact CG1-CB 3.95Å; V147-M161 HydrophobicContact CG2-CB 4.22Å; A150-M161 HydrophobicContact CB-CE 3.14Å; P152-M161 HydrophobicContact CB-SD 3.8Å; P152-M161 HydrophobicContact CG-SD 4.4Å; D157-M161 WeakPolarHBondContact O-CG 3.45Å; D157-M161 PolarHBondContact O-N 3.41Å; A158-M161 PolarHBondContact O-N 3.26Å; V159-M161 VanDerWaalsContact C-N 3.31Å; V159-M161 PolarHBondContact O-N 3.09Å; M161-I163 PolarHBondContact O-N 3.43Å; M161-Q164 PolarHBondContact O-N 2.97Å; M161-Q165 WeakPolarHBondContact O-CB 3.3Å; M161-Q165 VanDerWaalsContact O-CG 3.25Å; M161-Q165 WeakPolarHBondContact O-CG 3.49Å; M161-Q165 PolarHBondContact O-N 2.81Å
162A95.1Very high92.9Very high0 Ų060.4 Ų60.40%032%0.316CS..Hα-helixtrans-59-47.6176.600000111.8F134 L138 W143 V147 A158 V159 Q164 Q165 E166F134-A162 HydrophobicContact CE1-CB 4.22Å; F134-A162 HydrophobicContact CZ-CB 4.2Å; L138-A162 HydrophobicContact CD2-CB 3.84Å; W143-A162 HydrophobicContact CZ3-CB 4.05Å; V147-A162 HydrophobicContact CG2-CB 4.44Å; A158-A162 VanDerWaalsContact O-CB 3.3Å; A158-A162 WeakPolarHBondContact O-CB 3.45Å; A158-A162 PolarHBondContact O-N 3.3Å; V159-A162 PolarHBondContact O-N 3.02Å; A162-Q164 PolarHBondContact O-N 3.37Å; A162-Q165 PolarHBondContact O-N 3.13Å; A162-E166 VanDerWaalsContact O-CB 3.26Å; A162-E166 WeakPolarHBondContact O-CB 3.42Å; A162-E166 PolarHBondContact O-N 3.33Å
163I94Very high92.3Very high63 Ų6368.8 Ų68.832%0.32335%0.347SS..Hα-helixtrans-60.8-44.8177.4-67.2167.5000111.2W103 F104 V159 R160 M161 A167W103-I163 HydrophobicContact CB-CD1 4.44Å; W103-I163 HydrophobicContact CB-CG1 4.24Å; W103-I163 HydrophobicContact CG-CG1 4.4Å; F104-I163 HydrophobicContact CD2-CD1 3.83Å; F104-I163 HydrophobicContact CE2-CD1 3.28Å; F104-I163 HydrophobicContact CZ-CD1 3.85Å; V159-I163 HydrophobicContact CG1-CD1 3.81Å; V159-I163 WeakPolarHBondContact O-CG1 3.48Å; V159-I163 PolarHBondContact O-N 3.35Å; R160-I163 PolarHBondContact O-N 3.17Å; M161-I163 PolarHBondContact O-N 3.43Å; I163-A167 VanDerWaalsContact O-CB 3.28Å; I163-A167 WeakPolarHBondContact O-CB 3.38Å; I163-A167 PolarHBondContact O-N 2.91Å
164Q93.3Very high91.5Very high122 Ų12265.9 Ų65.957%0.5733%0.334SS*.Hα-helixtrans-62.6-44.7178.4-75.2175.4-1900112.2R160 M161 A162 T168R160-Q164 WeakPolarHBondContact O-CG 3.28Å; R160-Q164 PolarHBondContact O-N 3.11Å; M161-Q164 PolarHBondContact O-N 2.97Å; A162-Q164 PolarHBondContact O-N 3.37Å; Q164-T168 WeakPolarHBondContact O-CB 3.31Å; Q164-T168 PolarHBondContact O-N 3.44Å; Q164-T168 PolarHBondContact O-OG1 3.11Å
165Q92.7Very high90.4Very high57 Ų5770.1 Ų70.127%0.26635%0.346SS..Hα-helixtrans-70.4-41.9-178.6-69.3-59.2-36.400111.8W143 T146 V147 M161 A162 T168 E169W143-Q165 HydrophobicContact CB-CB 4.2Å; W143-Q165 HydrophobicContact CE3-CB 3.85Å; T146-Q165 HydrophobicContact CG2-CG 4.31Å; V147-Q165 HydrophobicContact CG2-CB 4.11Å; V147-Q165 HydrophobicContact CG2-CG 3.81Å; M161-Q165 WeakPolarHBondContact O-CB 3.3Å; M161-Q165 VanDerWaalsContact O-CG 3.25Å; M161-Q165 WeakPolarHBondContact O-CG 3.49Å; M161-Q165 PolarHBondContact O-N 2.81Å; A162-Q165 PolarHBondContact O-N 3.13Å; Q165-T168 PolarHBondContact O-N 3.3Å; Q165-E169 WeakPolarHBondContact O-CB 3.36Å; Q165-E169 PolarHBondContact O-N 3.41Å
166E90Very high89.2Confident62 Ų6272.5 Ų72.529%0.2937%0.367SS..Hα-helixtrans-62.2-45.3175.4-177.3174.7-159.200111.5W103 W143 A162 T168 E169 Q170W103-E166 PolarHBondContact NE1-OE2 3.03Å; W143-E166 HydrophobicContact CE3-CB 4.45Å; W143-E166 HydrophobicContact CZ3-CB 4.46Å; A162-E166 VanDerWaalsContact O-CB 3.26Å; A162-E166 WeakPolarHBondContact O-CB 3.42Å; A162-E166 PolarHBondContact O-N 3.33Å; E166-T168 VanDerWaalsContact C-N 3.32Å; E166-T168 PolarHBondContact O-N 3.3Å; E166-E169 PolarHBondContact O-N 2.92Å; E166-Q170 WeakPolarHBondContact O-CB 3.44Å; E166-Q170 VanDerWaalsContact O-CG 3.26Å; E166-Q170 WeakPolarHBondContact O-CG 3.47Å; E166-Q170 PolarHBondContact O-N 3.09Å
167A89.5Confident88Confident56 Ų5671.6 Ų71.646%0.46337%0.372SS..Hα-helixtrans-62.8-3917600000112.3I163 A171I163-A167 VanDerWaalsContact O-CB 3.28Å; I163-A167 WeakPolarHBondContact O-CB 3.38Å; I163-A167 PolarHBondContact O-N 2.91Å; A167-A171 WeakPolarHBondContact O-CB 3.41Å; A167-A171 PolarHBondContact O-N 3.13Å; A167-A171 VanDerWaalsContact O-N 3.08Å
168T90Very high86.7Confident63 Ų6374.2 Ų74.239%0.38739%0.386SS..Hα-helixtrans-64.9-48.8177.2-59.60000110.8Q164 Q165 E166 Q170 A171 Y172Q164-T168 WeakPolarHBondContact O-CB 3.31Å; Q164-T168 PolarHBondContact O-N 3.44Å; Q164-T168 PolarHBondContact O-OG1 3.11Å; Q165-T168 PolarHBondContact O-N 3.3Å; E166-T168 VanDerWaalsContact C-N 3.32Å; E166-T168 PolarHBondContact O-N 3.3Å; T168-Q170 PolarHBondContact O-N 2.85Å; T168-A171 WeakPolarHBondContact O-CB 3.5Å; T168-A171 PolarHBondContact O-N 3.17Å; T168-A171 VanDerWaalsContact O-N 3.17Å; T168-Y172 HydrophobicContact CG2-CD2 3.71Å; T168-Y172 HydrophobicContact CG2-CE2 3.52Å; T168-Y172 WeakPolarHBondContact O-CD2 3.42Å; T168-Y172 PolarHBondContact O-N 3.26Å
169E87.4Confident85.3Confident73 Ų7376.8 Ų76.834%0.34140%0.404SS..Hα-helixtrans-59.5-44.7177.9179.560.2-161.400111.8W143 Q165 E166 A171 Y172 R173W143-E169 HydrophobicContact CB-CB 4.1Å; W143-E169 HydrophobicContact CB-CG 4.42Å; W143-E169 HydrophobicContact CG-CB 4.38Å; W143-E169 HydrophobicContact CG-CG 4.49Å; Q165-E169 WeakPolarHBondContact O-CB 3.36Å; Q165-E169 PolarHBondContact O-N 3.41Å; E166-E169 PolarHBondContact O-N 2.92Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.25Å; E169-Y172 PolarHBondContact O-N 3.39Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 2.97Å
170Q86.2Confident83.7Confident119 Ų11979.3 Ų79.356%0.55643%0.425SS*.Hα-helixtrans-60.6-40.8176-72.2177.115.900112E166 T168 G174E166-Q170 WeakPolarHBondContact O-CB 3.44Å; E166-Q170 VanDerWaalsContact O-CG 3.26Å; E166-Q170 WeakPolarHBondContact O-CG 3.47Å; E166-Q170 PolarHBondContact O-N 3.09Å; T168-Q170 PolarHBondContact O-N 2.85Å; Q170-G174 PolarHBondContact O-N 3.33Å
171A87.6Confident82.5Confident52 Ų5282.3 Ų82.343%0.4344%0.437SS..Hα-helixtrans-65.7-40.617700000112.6A167 T168 E169 K175A167-A171 WeakPolarHBondContact O-CB 3.41Å; A167-A171 PolarHBondContact O-N 3.13Å; A167-A171 VanDerWaalsContact O-N 3.08Å; T168-A171 WeakPolarHBondContact O-CB 3.5Å; T168-A171 PolarHBondContact O-N 3.17Å; T168-A171 VanDerWaalsContact O-N 3.17Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.25Å; A171-K175 WeakPolarHBondContact O-CG 3.28Å; A171-K175 PolarHBondContact O-N 3.21Å; A171-K175 VanDerWaalsContact O-N 3.09Å
172Y83.9Confident81.3Confident146 Ų14684.5 Ų84.557%0.57345%0.448SS*.Hα-helixtrans-69.8-41.8176.2-81.2-75.1000112.3T168 E169 G174 K175 A176T168-Y172 HydrophobicContact CG2-CD2 3.71Å; T168-Y172 HydrophobicContact CG2-CE2 3.52Å; T168-Y172 WeakPolarHBondContact O-CD2 3.42Å; T168-Y172 PolarHBondContact O-N 3.26Å; E169-Y172 PolarHBondContact O-N 3.39Å; Y172-G174 VanDerWaalsContact C-N 3.3Å; Y172-G174 PolarHBondContact O-N 3.05Å; Y172-K175 PolarHBondContact O-N 3.48Å; Y172-A176 WeakPolarHBondContact O-CB 3.47Å; Y172-A176 PolarHBondContact O-N 3Å
173R82.6Confident79.9Confident181 Ų18189.4 Ų89.468%0.68347%0.471SS*.Hα-helixtrans-59.9-41.3174.5-176.6179-92171-6.5111.4E169 A176 A177E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 2.97Å; R173-A176 PolarHBondContact O-N 3.35Å; R173-A177 WeakPolarHBondContact O-CB 3.16Å; R173-A177 PolarHBondContact O-N 3.39Å
174G77.2Confident78.8Confident44 Ų4490 Ų9045%0.45448%0.478SS..Hα-helixtrans-62.4-43.7174.400000113.2Q170 Y172 A177 N178Q170-G174 PolarHBondContact O-N 3.33Å; Y172-G174 VanDerWaalsContact C-N 3.3Å; Y172-G174 PolarHBondContact O-N 3.05Å; G174-A177 PolarHBondContact O-N 2.89Å; G174-N178 WeakPolarHBondContact O-CB 3.37Å; G174-N178 PolarHBondContact O-N 3.5Å
175K74.1Confident77.8Confident140 Ų14085.8 Ų85.861%0.60947%0.467SS*.Hα-helixtrans-65.3-42175.7-73174.5-177.5177.30112.4A171 Y172 N178 S179A171-K175 WeakPolarHBondContact O-CG 3.28Å; A171-K175 PolarHBondContact O-N 3.21Å; A171-K175 VanDerWaalsContact O-N 3.09Å; Y172-K175 PolarHBondContact O-N 3.48Å; K175-N178 PolarHBondContact O-N 3.18Å; K175-S179 WeakPolarHBondContact O-CB 3.48Å; K175-S179 PolarHBondContact O-N 3.44Å
176A71.7Confident76.8Confident61 Ų6188.3 Ų88.350%0.50448%0.478SS..Hα-helixtrans-64-42.8177.200000111.5Y172 R173 S179 A180Y172-A176 WeakPolarHBondContact O-CB 3.47Å; Y172-A176 PolarHBondContact O-N 3Å; R173-A176 PolarHBondContact O-N 3.35Å; A176-S179 PolarHBondContact O-N 3.4Å; A176-A180 WeakPolarHBondContact O-CB 3.5Å; A176-A180 PolarHBondContact O-N 2.88Å
177A71.3Confident75.8Confident61 Ų6190.2 Ų90.250%0.50449%0.494SS..Hα-helixtrans-62.8-41.8174.900000112.1R173 G174 A180 R181R173-A177 WeakPolarHBondContact O-CB 3.16Å; R173-A177 PolarHBondContact O-N 3.39Å; G174-A177 PolarHBondContact O-N 2.89Å; A177-A180 PolarHBondContact O-N 3.07Å; A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 PolarHBondContact O-N 2.82Å
178N68.7Low75.1Confident90 Ų9093.7 Ų93.748%0.48150%0.501SS..Hα-helixtrans-65.6-43.6176-166.350000111.8G174 K175 R181 I182G174-N178 WeakPolarHBondContact O-CB 3.37Å; G174-N178 PolarHBondContact O-N 3.5Å; K175-N178 PolarHBondContact O-N 3.18Å; N178-R181 PolarHBondContact O-N 3.36Å; N178-I182 WeakPolarHBondContact O-CG1 3.5Å; N178-I182 PolarHBondContact O-N 2.98Å
179S67Low74.3Confident54 Ų5497.4 Ų97.438%0.37851%0.514SS..Hα-helixtrans-60.7-48.1175.5-171.80000111.4K175 A176 R181 I182 H183K175-S179 WeakPolarHBondContact O-CB 3.48Å; K175-S179 PolarHBondContact O-N 3.44Å; A176-S179 PolarHBondContact O-N 3.4Å; S179-R181 VanDerWaalsContact C-N 3.3Å; S179-R181 PolarHBondContact O-N 3.03Å; S179-I182 WeakPolarHBondContact O-CB 3.42Å; S179-I182 PolarHBondContact O-N 3.22Å; S179-I182 VanDerWaalsContact O-N 3.14Å; S179-H183 PolarHBondContact O-N 3Å; S179-H183 PolarHBondContact O-ND1 2.96Å; S179-H183 PolarHBondContact OG-CE1 2.67Å
180A63.3Low73.6Confident54 Ų5498 Ų9845%0.44652%0.522SS..Hα-helixtrans-59.4-40.6176.900000112A176 A177 I182 H183 V184A176-A180 WeakPolarHBondContact O-CB 3.5Å; A176-A180 PolarHBondContact O-N 2.88Å; A177-A180 PolarHBondContact O-N 3.07Å; A180-I182 VanDerWaalsContact C-N 3.34Å; A180-I182 PolarHBondContact O-N 3.24Å; A180-H183 PolarHBondContact O-N 3.47Å; A180-V184 VanDerWaalsContact O-CG2 3.28Å; A180-V184 WeakPolarHBondContact O-CG2 3.09Å; A180-V184 PolarHBondContact O-N 2.96Å
181R71.5Confident73Confident194 Ų19494.6 Ų94.673%0.73251%0.514SS*.Hα-helixtrans-63.8-38.2176.4-160.4177.585.7162.46.9112.5A177 N178 S179 G185A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 PolarHBondContact O-N 2.82Å; N178-R181 PolarHBondContact O-N 3.36Å; S179-R181 VanDerWaalsContact C-N 3.3Å; S179-R181 PolarHBondContact O-N 3.03Å; R181-G185 PolarHBondContact O-N 3.01Å
182I70.5Confident72.7Confident83 Ų8393.7 Ų93.743%0.42651%0.507SS..Hα-helixtrans-63.4-49.1174.5-66.9164.6000110N178 S179 A180 V184 G185 E186N178-I182 WeakPolarHBondContact O-CG1 3.5Å; N178-I182 PolarHBondContact O-N 2.98Å; S179-I182 WeakPolarHBondContact O-CB 3.42Å; S179-I182 PolarHBondContact O-N 3.22Å; S179-I182 VanDerWaalsContact O-N 3.14Å; A180-I182 VanDerWaalsContact C-N 3.34Å; A180-I182 PolarHBondContact O-N 3.24Å; I182-V184 VanDerWaalsContact C-N 3.34Å; I182-V184 PolarHBondContact O-N 2.84Å; I182-G185 PolarHBondContact O-N 2.92Å; I182-G185 VanDerWaalsContact O-N 3.17Å; I182-E186 WeakPolarHBondContact O-CG 3.46Å; I182-E186 PolarHBondContact O-N 3.02Å
183H65.3Low72.2Confident102 Ų10287.8 Ų87.847%0.47249%0.488SS..Hα-helixtrans-63.4-38.6179.8-70.674.3000112.1S179 A180 E186 V187S179-H183 PolarHBondContact O-N 3Å; S179-H183 PolarHBondContact O-ND1 2.96Å; S179-H183 PolarHBondContact OG-CE1 2.67Å; A180-H183 PolarHBondContact O-N 3.47Å; H183-E186 PolarHBondContact O-N 3.4Å; H183-V187 WeakPolarHBondContact O-CB 3.45Å; H183-V187 WeakPolarHBondContact O-CG2 3.31Å; H183-V187 PolarHBondContact O-N 3.4Å
184V71.4Confident71.7Confident77 Ų7784.9 Ų84.947%0.46749%0.485SS..Hα-helixtrans-63.6-44.3174.3171.20000110.8A180 I182 E186 V187 E188A180-V184 VanDerWaalsContact O-CG2 3.28Å; A180-V184 WeakPolarHBondContact O-CG2 3.09Å; A180-V184 PolarHBondContact O-N 2.96Å; I182-V184 VanDerWaalsContact C-N 3.34Å; I182-V184 PolarHBondContact O-N 2.84Å; V184-E186 PolarHBondContact O-N 2.74Å; V184-V187 PolarHBondContact O-N 3.08Å; V184-E188 HydrophobicContact CG1-CG 4.29Å; V184-E188 WeakPolarHBondContact O-CB 3.31Å; V184-E188 WeakPolarHBondContact O-CG 3.24Å; V184-E188 PolarHBondContact O-N 3.32Å
185G72.2Confident71.8Confident33 Ų3387.8 Ų87.834%0.3450%0.498SS..Hα-helixtrans-60.1-43.4175.700000112.9R181 I182 E188 E189R181-G185 PolarHBondContact O-N 3.01Å; I182-G185 PolarHBondContact O-N 2.92Å; I182-G185 VanDerWaalsContact O-N 3.17Å; G185-E188 PolarHBondContact O-N 3.38Å; G185-E189 WeakPolarHBondContact O-CB 3.44Å; G185-E189 PolarHBondContact O-N 3.31Å
186E70.8Confident71.9Confident110 Ų11090 Ų9051%0.51450%0.503SS..Hα-helixtrans-62.9-42.4175.4-72177.7174.700111.8I182 H183 V184 E189 V190I182-E186 WeakPolarHBondContact O-CG 3.46Å; I182-E186 PolarHBondContact O-N 3.02Å; H183-E186 PolarHBondContact O-N 3.4Å; V184-E186 PolarHBondContact O-N 2.74Å; E186-E189 PolarHBondContact O-N 2.82Å; E186-V190 VanDerWaalsContact O-CG2 3.25Å; E186-V190 WeakPolarHBondContact O-CG2 3.28Å; E186-V190 PolarHBondContact O-N 2.76Å
187V68.9Low71.6Confident102 Ų10290.4 Ų90.462%0.61851%0.514SS*.Hα-helixtrans-67.7-41.3178172.50000111.5H183 V184 V190 A191H183-V187 WeakPolarHBondContact O-CB 3.45Å; H183-V187 WeakPolarHBondContact O-CG2 3.31Å; H183-V187 PolarHBondContact O-N 3.4Å; V184-V187 PolarHBondContact O-N 3.08Å; V187-V190 PolarHBondContact O-N 3.24Å; V187-A191 VanDerWaalsContact O-CB 3.3Å; V187-A191 WeakPolarHBondContact O-CB 3.35Å; V187-A191 PolarHBondContact O-N 2.82Å
188E75.2Confident71.1Confident129 Ų12991.7 Ų91.760%0.60352%0.515SS*.Hα-helixtrans-64.4-40175.3-76.1-179.1174.100111.8V184 G185 A191 A192V184-E188 HydrophobicContact CG1-CG 4.29Å; V184-E188 WeakPolarHBondContact O-CB 3.31Å; V184-E188 WeakPolarHBondContact O-CG 3.24Å; V184-E188 PolarHBondContact O-N 3.32Å; G185-E188 PolarHBondContact O-N 3.38Å; E188-A191 PolarHBondContact O-N 3.18Å; E188-A192 VanDerWaalsContact O-CB 3.25Å; E188-A192 WeakPolarHBondContact O-CB 3.18Å; E188-A192 PolarHBondContact O-N 3.1Å
189E74.3Confident70.4Confident141 Ų14194.9 Ų94.966%0.65953%0.531SS*.Hα-helixtrans-63.2-46175.3-172.7177.5-178.700111.3G185 E186 A192 A193G185-E189 WeakPolarHBondContact O-CB 3.44Å; G185-E189 PolarHBondContact O-N 3.31Å; E186-E189 PolarHBondContact O-N 2.82Å; E189-A192 PolarHBondContact O-N 3.26Å; E189-A193 WeakPolarHBondContact O-CB 3.1Å; E189-A193 PolarHBondContact O-N 2.94Å
190V71.5Confident69.7Low85 Ų8596.8 Ų96.852%0.51554%0.542SS..Hα-helixtrans-62.5-44.7175.8171.90000111E186 V187 A192 A193 I194E186-V190 VanDerWaalsContact O-CG2 3.25Å; E186-V190 WeakPolarHBondContact O-CG2 3.28Å; E186-V190 PolarHBondContact O-N 2.76Å; V187-V190 PolarHBondContact O-N 3.24Å; V190-A192 VanDerWaalsContact C-N 3.34Å; V190-A192 PolarHBondContact O-N 3.28Å; V190-A193 PolarHBondContact O-N 2.86Å; V190-I194 HydrophobicContact CG1-CD1 3.87Å; V190-I194 VanDerWaalsContact O-CG1 3.29Å; V190-I194 WeakPolarHBondContact O-CG1 3.49Å; V190-I194 PolarHBondContact O-N 2.87Å
191A74.4Confident69.2Low47 Ų47102.7 Ų102.739%0.38856%0.561SS.*Hα-helixtrans-63-39.6177.300000112.2V187 E188 S195V187-A191 VanDerWaalsContact O-CB 3.3Å; V187-A191 WeakPolarHBondContact O-CB 3.35Å; V187-A191 PolarHBondContact O-N 2.82Å; E188-A191 PolarHBondContact O-N 3.18Å; A191-S195 WeakPolarHBondContact O-CB 3.13Å; A191-S195 PolarHBondContact O-N 3.03Å; A191-S195 PolarHBondContact O-OG 3.27Å
192A80.2Confident68.2Low34 Ų34105.3 Ų105.328%0.28157%0.57SS.*Hα-helixtrans-70.5-31.2176.500000112.8E188 E189 V190 R196E188-A192 VanDerWaalsContact O-CB 3.25Å; E188-A192 WeakPolarHBondContact O-CB 3.18Å; E188-A192 PolarHBondContact O-N 3.1Å; E189-A192 PolarHBondContact O-N 3.26Å; V190-A192 VanDerWaalsContact C-N 3.34Å; V190-A192 PolarHBondContact O-N 3.28Å; A192-R196 WeakPolarHBondContact O-CG 3.26Å; A192-R196 PolarHBondContact O-N 2.9Å; A192-R196 PolarHBondContact O-NE 3.46Å
193A74.7Confident67.1Low22 Ų22112 Ų11218%0.18259%0.591CS.*Hα-helixtrans-69.4-45.7173.300000111.4E189 V190 S195 R196 G197 V198E189-A193 WeakPolarHBondContact O-CB 3.1Å; E189-A193 PolarHBondContact O-N 2.94Å; V190-A193 PolarHBondContact O-N 2.86Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.33Å; A193-R196 PolarHBondContact O-N 3.24Å; A193-R196 VanDerWaalsContact O-N 3.16Å; A193-G197 PolarHBondContact O-N 2.92Å; A193-V198 PolarHBondContact O-N 3.32Å
194I71.4Confident65.9Low119 Ų119111.4 Ų111.461%0.6161%0.612SS**Hα-helixtrans-58.7-45.7174.8-67.2166.3000110.5V190 R196 G197V190-I194 HydrophobicContact CG1-CD1 3.87Å; V190-I194 VanDerWaalsContact O-CG1 3.29Å; V190-I194 WeakPolarHBondContact O-CG1 3.49Å; V190-I194 PolarHBondContact O-N 2.87Å; I194-R196 PolarHBondContact O-N 3.44Å; I194-G197 PolarHBondContact O-N 3Å
195S78.6Confident64.5Low105 Ų105110.9 Ų110.973%0.73462%0.621SS**Hα-helixtrans-63.9-27.7179.5-58.80000113.3A191 A193 G197A191-S195 WeakPolarHBondContact O-CB 3.13Å; A191-S195 PolarHBondContact O-N 3.03Å; A191-S195 PolarHBondContact O-OG 3.27Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.33Å; S195-G197 VanDerWaalsContact C-N 3.29Å
196R77.9Confident63.1Low186 Ų186112.7 Ų112.770%0.70264%0.64SS**THydrogen-bonded Turntrans-83.70.8176.4-77-178.9-90.6-175-6113.5A192 A193 I194 V198A192-R196 WeakPolarHBondContact O-CG 3.26Å; A192-R196 PolarHBondContact O-N 2.9Å; A192-R196 PolarHBondContact O-NE 3.46Å; A193-R196 PolarHBondContact O-N 3.24Å; A193-R196 VanDerWaalsContact O-N 3.16Å; I194-R196 PolarHBondContact O-N 3.44Å; R196-V198 HydrophobicContact CB-CG2 4.08Å; R196-V198 PolarHBondContact O-N 3.41Å
197G65.2Low62Low71 Ų71112.7 Ų112.773%0.73265%0.65SS**THydrogen-bonded Turntrans67.314.6-176.300000113.5A193 I194 S195 L199A193-G197 PolarHBondContact O-N 2.92Å; I194-G197 PolarHBondContact O-N 3Å; S195-G197 VanDerWaalsContact C-N 3.29Å; G197-L199 PolarHBondContact O-N 3.43Å
198V60.5Low60.9Low87 Ų87112.6 Ų112.653%0.52765%0.651SS.*  trans-90.9102.3177.8-178.10000106.9A193 R196A193-V198 PolarHBondContact O-N 3.32Å; R196-V198 HydrophobicContact CB-CG2 4.08Å; R196-V198 PolarHBondContact O-N 3.41Å
199L54.1Low59.3Low157 Ų157114 Ų11482%0.82266%0.662SS**  trans-55123.8162.5-94.3152.9000107G197 E201G197-L199 PolarHBondContact O-N 3.43Å; L199-E201 PolarHBondContact O-N 3.39Å
200P52Low57.7Low95 Ų95116.7 Ų116.762%0.61767%0.667SS**  trans-62107179.822.6-29.7000108R202P200-R202 PolarHBondContact O-N 2.57Å; P200-R202 VanDerWaalsContact O-N 3.14Å
201E52.3Low56.2Low178 Ų178121 Ų12183%0.83268%0.681SS**  trans-58.4120.7168.5-82.1-156.8149.400107.1L199 R203L199-E201 PolarHBondContact O-N 3.39Å; E201-R203 PolarHBondContact O-N 3.5Å
202R50.2Low54.7Low248 Ų248130.1 Ų130.194%0.93671%0.706SS**  trans-5985.6165.9-91.5-176.8167.8-177.9-2.6108.1P200 G204P200-R202 PolarHBondContact O-N 2.57Å; P200-R202 VanDerWaalsContact O-N 3.14Å; R202-G204 PolarHBondContact O-N 2.9Å
203R48.5Very low52.9Low225 Ų225134.7 Ų134.785%0.84973%0.73SS**  trans-63.2119.6159.3-98.6-173178.6-156.4-0.1106.8E201 G205E201-R203 PolarHBondContact O-N 3.5Å; R203-G205 PolarHBondContact O-N 3.18Å
204G39.7Very low52Low89 Ų89135.1 Ų135.192%0.91874%0.737SS**SBendtrans-52102.9177.700000111.2R202R202-G204 PolarHBondContact O-N 2.9Å
205G41.2Very low51.8Low65 Ų65132.2 Ų132.267%0.6773%0.727SS**  trans-174.891.4176.700000104.9R203R203-G205 PolarHBondContact O-N 3.18Å
206G43.6Very low51.5Low71 Ų71132.6 Ų132.673%0.73272%0.72SS**PPolyproline II helixtrans-55.1144.3-172.800000111.6
207P47.6Very low51.5Low111 Ų111129 Ų12972%0.72172%0.715SS**PPolyproline II helixtrans-60154.3174.227.9-32.1000108.9I209P207-I209 PolarHBondContact O-N 3.35Å; P207-I209 VanDerWaalsContact O-N 3.09Å
208P46.9Very low51.8Low100 Ų100130.6 Ų130.665%0.64970%0.703SS**PPolyproline II helixtrans-50.7127.6170.323.8-32.3000107.7Y210P208-Y210 HydrophobicContact CB-CE2 4.46Å; P208-Y210 HydrophobicContact CG-CD2 4.27Å; P208-Y210 HydrophobicContact CG-CE2 4.06Å; P208-Y210 PolarHBondContact O-N 3.17Å
209I41Very low52.5Low159 Ų159130.7 Ų130.782%0.81570%0.704SS**  trans-62.888.2176.3-60.3173.9000106.4P207 Q211P207-I209 PolarHBondContact O-N 3.35Å; P207-I209 VanDerWaalsContact O-N 3.09Å; I209-Q211 PolarHBondContact O-N 2.8Å
210Y39.3Very low53.7Low196 Ų196130.5 Ų130.577%0.76969%0.692SS**  trans-72.6113.1151.3-79.2-85.4000104.9P208 R212P208-Y210 HydrophobicContact CB-CE2 4.46Å; P208-Y210 HydrophobicContact CG-CD2 4.27Å; P208-Y210 HydrophobicContact CG-CE2 4.06Å; P208-Y210 PolarHBondContact O-N 3.17Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.07Å
211Q40.1Very low55.1Low175 Ų175128.2 Ų128.282%0.81868%0.681SS**  trans-52.795.4173.5-80.7171.9-37.300108.8I209 T213I209-Q211 PolarHBondContact O-N 2.8Å; Q211-T213 VanDerWaalsContact C-N 3.28Å; Q211-T213 PolarHBondContact O-N 3.26Å
212R43.8Very low56.5Low239 Ų239124.7 Ų124.790%0.90267%0.667SS**  trans-92.269.6172.4-162.7-178.3-161.4-178.15.6107.2Y210Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.07Å
213T42.4Very low58.1Low130 Ų130120.5 Ų120.580%0.79865%0.652SS**  trans-100.188.9162.250.60000106.2Q211Q211-T213 VanDerWaalsContact C-N 3.28Å; Q211-T213 PolarHBondContact O-N 3.26Å
214G55.4Low60Low31 Ų31114.4 Ų114.432%0.3264%0.636SS.*  trans-156.983.817800000104.8L216 E218G214-L216 PolarHBondContact O-N 3.11Å; G214-E218 WeakPolarHBondContact CA-OE2 3.47Å
215S68.5Low62.3Low58 Ų58115.5 Ų115.541%0.40662%0.617SS.*  trans-47.2145.1171.7171.70000108.2D217 E218 V219S215-D217 PolarHBondContact O-N 2.61Å; S215-D217 PolarHBondContact OG-N 3.01Å; S215-E218 PolarHBondContact N-OE2 3.21Å; S215-E218 WeakPolarHBondContact O-CA 3.41Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 3.49Å; S215-V219 PolarHBondContact O-N 3.32Å
216L71.6Confident64.4Low114 Ų114115.9 Ų115.960%0.59761%0.606SS**Hα-helixtrans-56.1-24.4175.7-158.1140.4000111G214 R220G214-L216 PolarHBondContact O-N 3.11Å; L216-R220 VanDerWaalsContact CD2-NE 3.29Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 3.34Å; L216-R220 VanDerWaalsContact O-N 3.11Å
217D77.1Confident66.7Low109 Ų109115.9 Ų115.958%0.58359%0.589SS**Hα-helixtrans-70.7-38.5170.6-58.8-36.3000113.2S215 R220 A221S215-D217 PolarHBondContact O-N 2.61Å; S215-D217 PolarHBondContact OG-N 3.01Å; D217-R220 PolarHBondContact O-N 3.05Å; D217-A221 WeakPolarHBondContact O-CB 3.41Å; D217-A221 PolarHBondContact O-N 2.78Å
218E72.8Confident68.7Low105 Ų105115.2 Ų115.249%0.49158%0.577SS.*Hα-helixtrans-67.4-39.1174.8-71.2171162.100111.2G214 S215 R220 A221 L222G214-E218 WeakPolarHBondContact CA-OE2 3.47Å; S215-E218 PolarHBondContact N-OE2 3.21Å; S215-E218 WeakPolarHBondContact O-CA 3.41Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 3.49Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-A221 PolarHBondContact O-N 3.49Å; E218-L222 WeakPolarHBondContact O-CB 3.4Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.45Å
219V74.2Confident70.6Confident89 Ų89115.3 Ų115.354%0.53957%0.571SS.*Hα-helixtrans-65.1-39.6174.2178.50000111S215 R223S215-V219 PolarHBondContact O-N 3.32Å; V219-R223 WeakPolarHBondContact O-CB 3.42Å; V219-R223 PolarHBondContact O-N 2.95Å
220R79.7Confident72.8Confident154 Ų154113.7 Ų113.758%0.58156%0.559SS**Hα-helixtrans-66.3-40.5173.7-76.3-179-160-178.69.4111.9L216 D217 E218 R223 N224L216-R220 VanDerWaalsContact CD2-NE 3.29Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 3.34Å; L216-R220 VanDerWaalsContact O-N 3.11Å; D217-R220 PolarHBondContact O-N 3.05Å; E218-R220 VanDerWaalsContact C-N 3.34Å; R220-R223 PolarHBondContact O-N 3.33Å; R220-N224 VanDerWaalsContact O-CG 3.25Å; R220-N224 PolarHBondContact O-N 3.42Å; R220-N224 PolarHBondContact O-ND2 3.41Å
221A82.4Confident75.2Confident46 Ų46110.4 Ų110.438%0.3855%0.545SS..Hα-helixtrans-61.4-49.717700000111.1D217 E218 R223 N224 E225D217-A221 WeakPolarHBondContact O-CB 3.41Å; D217-A221 PolarHBondContact O-N 2.78Å; E218-A221 PolarHBondContact O-N 3.49Å; A221-R223 VanDerWaalsContact C-N 3.3Å; A221-R223 PolarHBondContact O-N 3.25Å; A221-N224 PolarHBondContact O-N 3.28Å; A221-N224 VanDerWaalsContact O-N 3.11Å; A221-E225 PolarHBondContact O-N 3.15Å
222L79.8Confident77.5Confident104 Ų104106 Ų10655%0.54553%0.525SS..Hα-helixtrans-61.4-37.8176.8-73.3170.8000112.3E218 N224 E225 V226E218-L222 WeakPolarHBondContact O-CB 3.4Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.45Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-E225 PolarHBondContact O-N 2.91Å; L222-V226 WeakPolarHBondContact O-CB 3.32Å; L222-V226 VanDerWaalsContact O-CG2 3.29Å; L222-V226 WeakPolarHBondContact O-CG2 3.39Å; L222-V226 PolarHBondContact O-N 3.47Å
223R84.7Confident79.4Confident161 Ų161100.8 Ų100.861%0.60851%0.512SS*.Hα-helixtrans-62.9-42.2175.3-172.8177-177.5-75.4-1.7111.6V219 R220 A221 V226 D227V219-R223 WeakPolarHBondContact O-CB 3.42Å; V219-R223 PolarHBondContact O-N 2.95Å; R220-R223 PolarHBondContact O-N 3.33Å; A221-R223 VanDerWaalsContact C-N 3.3Å; A221-R223 PolarHBondContact O-N 3.25Å; R223-V226 PolarHBondContact O-N 3.17Å; R223-D227 IonicContact CZ-OD2 3.69Å; R223-D227 IonicContact NH1-OD2 2.75Å; R223-D227 PolarHBondContact NH1-OD2 3.25Å; R223-D227 PolarHBondContact O-N 3.04Å
224N89.4Confident81.4Confident97 Ų97101 Ų10152%0.51950%0.504SS..Hα-helixtrans-66.7-40.4177.1-66.6-15.1000111.7R220 A221 L222 D227 E228R220-N224 VanDerWaalsContact O-CG 3.25Å; R220-N224 PolarHBondContact O-N 3.42Å; R220-N224 PolarHBondContact O-ND2 3.41Å; A221-N224 PolarHBondContact O-N 3.28Å; A221-N224 VanDerWaalsContact O-N 3.11Å; L222-N224 VanDerWaalsContact C-N 3.34Å; N224-D227 PolarHBondContact O-N 3.15Å; N224-E228 PolarHBondContact O-N 2.65Å
225E86.8Confident82.8Confident111 Ų111104.4 Ų104.452%0.51951%0.512SS..Hα-helixtrans-63.1-42.4175-75.8179.7-17600112.2A221 L222 D227 E228 L229A221-E225 PolarHBondContact O-N 3.15Å; L222-E225 PolarHBondContact O-N 2.91Å; E225-D227 VanDerWaalsContact C-N 3.32Å; E225-D227 PolarHBondContact O-N 3.26Å; E225-E228 PolarHBondContact O-N 3.06Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.78Å
226V86.6Confident83.4Confident73 Ų73106.9 Ų106.944%0.44252%0.518SS..Hα-helixtrans-63.9-39175.9169.20000111.3L222 R223 L229 K230L222-V226 WeakPolarHBondContact O-CB 3.32Å; L222-V226 VanDerWaalsContact O-CG2 3.29Å; L222-V226 WeakPolarHBondContact O-CG2 3.39Å; L222-V226 PolarHBondContact O-N 3.47Å; R223-V226 PolarHBondContact O-N 3.17Å; V226-L229 PolarHBondContact O-N 2.95Å; V226-K230 WeakPolarHBondContact O-CG 3.46Å; V226-K230 PolarHBondContact O-N 2.86Å
227D89.9Confident83.6Confident71 Ų71105 Ų10538%0.3852%0.515SS..Hα-helixtrans-67.9-36.1176.7-73.3-21.3000111.5R223 N224 E225 R231R223-D227 IonicContact CZ-OD2 3.69Å; R223-D227 IonicContact NH1-OD2 2.75Å; R223-D227 PolarHBondContact NH1-OD2 3.25Å; R223-D227 PolarHBondContact O-N 3.04Å; N224-D227 PolarHBondContact O-N 3.15Å; E225-D227 VanDerWaalsContact C-N 3.32Å; E225-D227 PolarHBondContact O-N 3.26Å; D227-R231 PolarHBondContact O-N 3.43Å; D227-R231 VanDerWaalsContact O-N 3.12Å
228E90.3Very high83.5Confident97 Ų97106 Ų10645%0.45352%0.52SS..Hα-helixtrans-67-43.7171.3-82.5-154.4134.200113.2N224 E225 K230 R231 M232N224-E228 PolarHBondContact O-N 2.65Å; E225-E228 PolarHBondContact O-N 3.06Å; E228-K230 VanDerWaalsContact C-N 3.29Å; E228-K230 PolarHBondContact O-N 3.23Å; E228-R231 WeakPolarHBondContact O-CB 3.4Å; E228-R231 PolarHBondContact O-N 2.77Å; E228-R231 VanDerWaalsContact O-N 3.1Å; E228-R231 IonicContact OE1-NH1 3.39Å; E228-R231 IonicContact OE1-NH2 3.95Å; E228-M232 HydrophobicContact CB-CE 4.31Å; E228-M232 PolarHBondContact O-N 3.09Å
229L86.9Confident83.1Confident102 Ų102108.8 Ų108.853%0.53453%0.533SS..Hα-helixtrans-60.7-39.6176.5-77.2168.4000111.6E225 V226 M232 M233E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.78Å; V226-L229 PolarHBondContact O-N 2.95Å; L229-M232 HydrophobicContact CD2-CE 3.97Å; L229-M232 HydrophobicContact CG-CE 4.4Å; L229-M232 PolarHBondContact O-N 3.48Å; L229-M233 WeakPolarHBondContact O-CB 3.46Å; L229-M233 WeakPolarHBondContact O-CG 3.29Å; L229-M233 PolarHBondContact O-N 3.12Å
230K87.2Confident82.1Confident126 Ų126111.7 Ų111.755%0.54855%0.545SS..Hα-helixtrans-62.5-41.4173-79178.1-179.7174.20112.2V226 E228 M233 Q234V226-K230 WeakPolarHBondContact O-CG 3.46Å; V226-K230 PolarHBondContact O-N 2.86Å; E228-K230 VanDerWaalsContact C-N 3.29Å; E228-K230 PolarHBondContact O-N 3.23Å; K230-M233 PolarHBondContact O-N 3.11Å; K230-Q234 PolarHBondContact O-N 3.38Å
231R90.7Very high80.9Confident126 Ų126108.5 Ų108.548%0.47555%0.546SS..Hα-helixtrans-62.6-47.2176.4-164.1179.278.4-132.2-3.4111.1D227 E228 M233 Q234 E235D227-R231 PolarHBondContact O-N 3.43Å; D227-R231 VanDerWaalsContact O-N 3.12Å; E228-R231 WeakPolarHBondContact O-CB 3.4Å; E228-R231 PolarHBondContact O-N 2.77Å; E228-R231 VanDerWaalsContact O-N 3.1Å; E228-R231 IonicContact OE1-NH1 3.39Å; E228-R231 IonicContact OE1-NH2 3.95Å; R231-M233 PolarHBondContact O-N 2.97Å; R231-Q234 PolarHBondContact O-N 2.76Å; R231-E235 IonicContact NE-OE1 3.83Å; R231-E235 WeakPolarHBondContact O-CG 3.45Å; R231-E235 PolarHBondContact O-N 3.15Å
232M87.9Confident79.3Confident82 Ų82111.2 Ų111.240%0.40456%0.56SS.*Hα-helixtrans-62.4-39.8176.8-74.9-174.3-84.600112.6E228 L229 E235 M236E228-M232 HydrophobicContact CB-CE 4.31Å; E228-M232 PolarHBondContact O-N 3.09Å; L229-M232 HydrophobicContact CD2-CE 3.97Å; L229-M232 HydrophobicContact CG-CE 4.4Å; L229-M232 PolarHBondContact O-N 3.48Å; M232-E235 PolarHBondContact O-N 3.25Å; M232-M236 WeakPolarHBondContact O-CG 3.11Å; M232-M236 PolarHBondContact O-N 2.92Å
233M82.9Confident77.7Confident130 Ų130114.9 Ų114.964%0.6458%0.578SS**Hα-helixtrans-63.8-39.2174.8-80.1-174.46200112.5L229 K230 R231 M236 S237L229-M233 WeakPolarHBondContact O-CB 3.46Å; L229-M233 WeakPolarHBondContact O-CG 3.29Å; L229-M233 PolarHBondContact O-N 3.12Å; K230-M233 PolarHBondContact O-N 3.11Å; R231-M233 PolarHBondContact O-N 2.97Å; M233-M236 HydrophobicContact CG-CE 4.36Å; M233-S237 WeakPolarHBondContact O-CB 3.38Å; M233-S237 PolarHBondContact O-N 2.88Å
234Q84.4Confident76Confident135 Ų135111.6 Ų111.663%0.63159%0.586SS**Hα-helixtrans-66-43.1174.4-78179.5-29.100111.7K230 R231 S237 L238K230-Q234 PolarHBondContact O-N 3.38Å; R231-Q234 PolarHBondContact O-N 2.76Å; Q234-S237 PolarHBondContact O-N 3.35Å; Q234-L238 WeakPolarHBondContact O-CG 3.48Å; Q234-L238 PolarHBondContact O-N 2.94Å
235E85.7Confident73.8Confident102 Ų102114.3 Ų114.348%0.47761%0.606SS.*Hα-helixtrans-61.6-44.7175.8-73172.1-167.400111.8R231 M232 S237 L238 Q239R231-E235 IonicContact NE-OE1 3.83Å; R231-E235 WeakPolarHBondContact O-CG 3.45Å; R231-E235 PolarHBondContact O-N 3.15Å; M232-E235 PolarHBondContact O-N 3.25Å; E235-S237 PolarHBondContact O-N 3Å; E235-L238 PolarHBondContact O-N 3.16Å; E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.34Å
236M80Confident71.6Confident110 Ų110112.5 Ų112.554%0.54262%0.617SS.*Hα-helixtrans-63.8-38.5174.8-76.7-170.9-64.700112.6M232 M233 L238 Q239 L240M232-M236 WeakPolarHBondContact O-CG 3.11Å; M232-M236 PolarHBondContact O-N 2.92Å; M233-M236 HydrophobicContact CG-CE 4.36Å; M236-L238 PolarHBondContact O-N 2.94Å; M236-Q239 PolarHBondContact O-N 3.44Å; M236-L240 PolarHBondContact O-N 2.68Å
237S76Confident69.6Low75 Ų75121 Ų12152%0.52466%0.659SS.*Hα-helixtrans-62.9-32.1175.1-172.30000112.2M233 Q234 E235 S241M233-S237 WeakPolarHBondContact O-CB 3.38Å; M233-S237 PolarHBondContact O-N 2.88Å; Q234-S237 PolarHBondContact O-N 3.35Å; E235-S237 PolarHBondContact O-N 3Å; S237-S241 PolarHBondContact O-OG 3.34Å
238L74.5Confident68.5Low130 Ų130123.6 Ų123.668%0.68167%0.673SS**Hα-helixtrans-76.3-36.5175.1-67.4169.9000111.9Q234 E235 M236 L240 S241Q234-L238 WeakPolarHBondContact O-CG 3.48Å; Q234-L238 PolarHBondContact O-N 2.94Å; E235-L238 PolarHBondContact O-N 3.16Å; M236-L238 PolarHBondContact O-N 2.94Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-S241 PolarHBondContact O-N 3.43Å
239Q64.3Low67.4Low163 Ų163124.9 Ų124.976%0.76268%0.684SS**Hα-helixtrans-73.4-23.9177.3-67.6-151.2-26.900114E235 M236 S241 P242E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.34Å; M236-Q239 PolarHBondContact O-N 3.44Å; Q239-S241 PolarHBondContact O-N 3.07Å; Q239-P242 WeakPolarHBondContact O-CD 3.38Å
240L54.8Low66.3Low151 Ų151126.2 Ų126.279%0.79169%0.693SS**THydrogen-bonded Turntrans-81.61.1171.2-74.8162000113.4M236 L238M236-L240 PolarHBondContact O-N 2.68Å; L238-L240 VanDerWaalsContact C-N 3.35Å
241S53.9Low65.1Low87 Ų87126.2 Ų126.261%0.60870%0.701SS**  trans-100.629.3-177.6-63.80000117.7S237 L238 Q239S237-S241 PolarHBondContact O-OG 3.34Å; L238-S241 PolarHBondContact O-N 3.43Å; Q239-S241 PolarHBondContact O-N 3.07Å
242P48.1Very low63.5Low103 Ų103126.3 Ų126.367%0.66972%0.715SS**  trans-124.174.1160.137.3-25.4000112.6Q239Q239-P242 WeakPolarHBondContact O-CD 3.38Å
243L47.6Very low61.8Low180 Ų180129.2 Ų129.294%0.94274%0.736SS**SBendtrans-134.113.8154.2-92.5171.7000112.7
244A48.4Very low60.3Low93 Ų93129.1 Ų129.177%0.76974%0.743SS**SBendtrans-127.337.9-177.700000113.2
245V43.7Very low58.5Low154 Ų154128.7 Ų128.793%0.93375%0.751SS**SBendtrans-154.3103.6158.9-175.30000107.4
246G40Very low56.2Low73 Ų73130.9 Ų130.975%0.75377%0.774SS**  trans134.255.6171.300000115.6
247L43.4Very low54.1Low252 Ų252132.8 Ų132.8100%1.31980%0.796SS**  trans-161.10143.8-97.6170.9000108.2

Retrieved 247 of 247 residues in 69.9 ms (Link to these results)

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