G4VHH1_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VHH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 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
1M47.7Very low39.1Very low188 Ų188118.1 Ų118.193%0.92657%0.573SS**  0-53.80-156.7165.967.800111.5L3 K4 Q5M1-L3 PolarHBondContact O-N 3.1Å; M1-K4 PolarHBondContact O-N 2.75Å; M1-Q5 PolarHBondContact O-N 3.09Å
2I35.2Very low40Very low125 Ų125112.6 Ų112.664%0.64155%0.548SS*.Hα-helixtrans-59.8-42.9179.7-61.7167.4000113.3K4 Q5 F6I2-K4 VanDerWaalsContact C-N 3.3Å; I2-K4 PolarHBondContact O-N 3.03Å; I2-Q5 PolarHBondContact O-N 3.31Å; I2-F6 HydrophobicContact CG2-CD2 4.41Å; I2-F6 PolarHBondContact O-N 3.14Å
3L29.5Very low40.6Very low149 Ų149106.1 Ų106.178%0.7852%0.517SS*.Hα-helixtrans-64.2-32.7180-155.577.3000113.2M1 F7M1-L3 PolarHBondContact O-N 3.1Å; L3-F7 PolarHBondContact O-N 3.3Å
4K32.9Very low41.1Very low169 Ų169100.4 Ų100.474%0.73550%0.499SS*.Hα-helixtrans-69.2-42.9175.4-99.9-171.3171.4-1710111.3M1 I2 F6 F7 I8M1-K4 PolarHBondContact O-N 2.75Å; I2-K4 VanDerWaalsContact C-N 3.3Å; I2-K4 PolarHBondContact O-N 3.03Å; K4-F6 VanDerWaalsContact C-N 3.33Å; K4-F7 PolarHBondContact O-N 3.48Å; K4-I8 WeakPolarHBondContact O-CG1 3.33Å; K4-I8 PolarHBondContact O-N 3.13Å
5Q38.6Very low41.6Very low115 Ų11595.3 Ų95.354%0.53748%0.476SS..Hα-helixtrans-65.4-38.5175.9-72.3171.7-31.100111.4M1 I2 F7 I8 L9M1-Q5 PolarHBondContact O-N 3.09Å; I2-Q5 PolarHBondContact O-N 3.31Å; Q5-F7 PolarHBondContact O-N 3.48Å; Q5-I8 PolarHBondContact O-N 3.04Å; Q5-L9 PolarHBondContact O-N 2.94Å
6F37.8Very low42.1Very low128 Ų12890 Ų9056%0.56145%0.451SS*.Hα-helixtrans-62.6-40.9174.1-117.9-89.9000112.3I2 K4 L9 I10I2-F6 HydrophobicContact CG2-CD2 4.41Å; I2-F6 PolarHBondContact O-N 3.14Å; K4-F6 VanDerWaalsContact C-N 3.33Å; F6-L9 WeakPolarHBondContact O-CB 3.49Å; F6-L9 PolarHBondContact O-N 3.21Å; F6-I10 HydrophobicContact CD1-CD1 4.24Å; F6-I10 VanDerWaalsContact O-CG1 3.25Å; F6-I10 WeakPolarHBondContact O-CG1 3.47Å; F6-I10 PolarHBondContact O-N 3.17Å
7F34.8Very low42.4Very low138 Ų13887.4 Ų87.461%0.60544%0.437SS*.Hα-helixtrans-66.8-40.1177.4-146-90.8000111.9L3 K4 Q5 L9 I10 V11L3-F7 PolarHBondContact O-N 3.3Å; K4-F7 PolarHBondContact O-N 3.48Å; Q5-F7 PolarHBondContact O-N 3.48Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.48Å; F7-I10 PolarHBondContact O-N 2.91Å; F7-V11 HydrophobicContact CD1-CG2 4.01Å; F7-V11 HydrophobicContact CE1-CG2 4.16Å; F7-V11 WeakPolarHBondContact O-CB 3.38Å; F7-V11 VanDerWaalsContact O-CG2 3.28Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 3.36Å
8I42.4Very low42.4Very low59 Ų5986.8 Ų86.830%0.30344%0.438SS..Hα-helixtrans-61.3-42.6172.7-67.8166.2000110.2K4 Q5 V11 I12K4-I8 WeakPolarHBondContact O-CG1 3.33Å; K4-I8 PolarHBondContact O-N 3.13Å; Q5-I8 PolarHBondContact O-N 3.04Å; I8-V11 PolarHBondContact O-N 3.27Å; I8-I12 HydrophobicContact CG2-CD1 3.71Å; I8-I12 HydrophobicContact CG2-CG1 4.4Å; I8-I12 WeakPolarHBondContact O-CB 3.36Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.35Å; I8-I12 PolarHBondContact O-N 3.04Å
9L44.3Very low42.5Very low90 Ų9082.8 Ų82.847%0.47142%0.419SS..Hα-helixtrans-62.6-46.8175.3-135.792.2000111.2Q5 F6 F7 V11 I12 L13Q5-L9 PolarHBondContact O-N 2.94Å; F6-L9 WeakPolarHBondContact O-CB 3.49Å; F6-L9 PolarHBondContact O-N 3.21Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.48Å; L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 3.38Å; L9-I12 PolarHBondContact O-N 2.94Å; L9-L13 HydrophobicContact CD2-CD1 3.9Å; L9-L13 HydrophobicContact CG-CD1 4.19Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 2.87Å
10I42Very low42.6Very low97 Ų9780.1 Ų80.150%0.49740%0.404SS..Hα-helixtrans-63.4-37.4178.6-69164.7000111.1F6 F7 G14F6-I10 HydrophobicContact CD1-CD1 4.24Å; F6-I10 VanDerWaalsContact O-CG1 3.25Å; F6-I10 WeakPolarHBondContact O-CG1 3.47Å; F6-I10 PolarHBondContact O-N 3.17Å; F7-I10 PolarHBondContact O-N 2.91Å; I10-G14 WeakPolarHBondContact O-CA 3.34Å; I10-G14 PolarHBondContact O-N 2.99Å
11V45.3Very low42.4Very low41 Ų4178.7 Ų78.725%0.24841%0.41CS..Hα-helixtrans-66.2-49.3173.61720000109.6F7 I8 L9 L13 G14 V15F7-V11 HydrophobicContact CD1-CG2 4.01Å; F7-V11 HydrophobicContact CE1-CG2 4.16Å; F7-V11 WeakPolarHBondContact O-CB 3.38Å; F7-V11 VanDerWaalsContact O-CG2 3.28Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 3.36Å; I8-V11 PolarHBondContact O-N 3.27Å; L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 3.38Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 3.42Å; V11-G14 PolarHBondContact O-N 3.44Å; V11-V15 HydrophobicContact CG1-CG2 4.01Å; V11-V15 WeakPolarHBondContact O-CB 3.41Å; V11-V15 WeakPolarHBondContact O-CG2 3.29Å; V11-V15 PolarHBondContact O-N 3.32Å
12I49.5Very low42.1Very low52 Ų5276.8 Ų76.827%0.26740%0.403SS..Hα-helixtrans-58.4-44.3177.2-68166.8000111.2I8 L9 S16 I133I8-I12 HydrophobicContact CG2-CD1 3.71Å; I8-I12 HydrophobicContact CG2-CG1 4.4Å; I8-I12 WeakPolarHBondContact O-CB 3.36Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.35Å; I8-I12 PolarHBondContact O-N 3.04Å; L9-I12 PolarHBondContact O-N 2.94Å; I12-S16 PolarHBondContact O-N 3.3Å; I12-S16 PolarHBondContact O-OG 3.42Å; I12-I133 HydrophobicContact CG2-CG1 4.47Å
13L47.7Very low42.2Very low28 Ų2873.4 Ų73.415%0.14739%0.385CS..Hα-helixtrans-73.7-42.6-177.2-67.2177.8000113.2L9 V11 V15 S16 L38 L39 L42L9-L13 HydrophobicContact CD2-CD1 3.9Å; L9-L13 HydrophobicContact CG-CD1 4.19Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 2.87Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 3.42Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-S16 PolarHBondContact O-N 3.2Å; L13-S16 PolarHBondContact O-OG 3.37Å; L13-L38 HydrophobicContact CD2-CD1 4.45Å; L13-L38 HydrophobicContact CD2-CD2 3.3Å; L13-L38 HydrophobicContact CD2-CG 3.62Å; L13-L39 HydrophobicContact CB-CD2 3.96Å; L13-L42 HydrophobicContact CD1-CD1 3.53Å; L13-L42 HydrophobicContact CD2-CD1 3.28Å; L13-L42 HydrophobicContact CG-CD1 4.02Å
14G48.1Very low42.8Very low26 Ų2675.2 Ų75.227%0.26839%0.389SS..Hα-helixtrans-69.9-34177.200000112I10 V11 S16 V18I10-G14 WeakPolarHBondContact O-CA 3.34Å; I10-G14 PolarHBondContact O-N 2.99Å; V11-G14 PolarHBondContact O-N 3.44Å; G14-S16 VanDerWaalsContact C-N 3.34Å; G14-V18 WeakPolarHBondContact O-CB 3.5Å; G14-V18 PolarHBondContact O-N 2.88Å
15V48.5Very low43.2Very low24 Ų2474 Ų7415%0.14539%0.391CS..Iπ-helixtrans-66.8-36.5176.2173.30000111.1V11 L13 E17 T19 F20 I149 I153V11-V15 HydrophobicContact CG1-CG2 4.01Å; V11-V15 WeakPolarHBondContact O-CB 3.41Å; V11-V15 WeakPolarHBondContact O-CG2 3.29Å; V11-V15 PolarHBondContact O-N 3.32Å; L13-V15 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 2.99Å; V15-T19 VanDerWaalsContact CA-OG1 3.31Å; V15-T19 WeakPolarHBondContact CA-OG1 3.38Å; V15-T19 PolarHBondContact O-OG1 3.34Å; V15-F20 HydrophobicContact CG1-CE2 3.85Å; V15-F20 HydrophobicContact CG1-CZ 4.21Å; V15-F20 WeakPolarHBondContact O-CD2 3.38Å; V15-F20 WeakPolarHBondContact O-CE2 3.48Å; V15-I149 HydrophobicContact CG1-CG2 4.02Å; V15-I153 HydrophobicContact CG1-CD1 4.45Å; V15-I153 HydrophobicContact CG2-CD1 3.28Å; V15-I153 HydrophobicContact CG2-CG1 3.76Å
16S48.6Very low43.5Very low11 Ų1170.9 Ų70.98%0.07738%0.377CS..Iπ-helixtrans-66.5-23.8-17744.70000116.6I12 L13 G14 F20 H132I12-S16 PolarHBondContact O-N 3.3Å; I12-S16 PolarHBondContact O-OG 3.42Å; L13-S16 PolarHBondContact O-N 3.2Å; L13-S16 PolarHBondContact O-OG 3.37Å; G14-S16 VanDerWaalsContact C-N 3.34Å; S16-F20 WeakPolarHBondContact O-CD2 3.15Å; S16-H132 WeakPolarHBondContact CB-ND1 3.34Å
17E48Very low43.7Very low46 Ų4674 Ų7422%0.21539%0.387CS..Iπ-helixtrans-125.7-38.8-179.1-73.3-173.1-170.900114.3V15 T19 G21 L39V15-E17 PolarHBondContact O-N 2.99Å; E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 3.13Å; E17-G21 PolarHBondContact O-N 3.25Å; E17-L39 HydrophobicContact CB-CD1 3.72Å; E17-L39 HydrophobicContact CB-CG 4.32Å; E17-L39 HydrophobicContact CG-CD1 4.06Å; E17-L39 HydrophobicContact CG-CG 4.12Å; E17-L39 WeakPolarHBondContact OE2-CB 3.04Å; E17-L39 VanDerWaalsContact OE2-CD1 3.31Å; E17-L39 WeakPolarHBondContact OE2-CD1 3.25Å
18V43.1Very low44.3Very low77 Ų7769.7 Ų69.747%0.46737%0.374SS..Iπ-helixtrans-71.3-31.1-178.4-175.60000111.5G14G14-V18 WeakPolarHBondContact O-CB 3.5Å; G14-V18 PolarHBondContact O-N 2.88Å
19T43.7Very low44.8Very low11 Ų1175.3 Ų75.37%0.06740%0.399CS..Iπ-helixtrans-88.5-32.8178.6-6.70000112.9V15 E17 N152 I153V15-T19 VanDerWaalsContact CA-OG1 3.31Å; V15-T19 WeakPolarHBondContact CA-OG1 3.38Å; V15-T19 PolarHBondContact O-OG1 3.34Å; E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 3.13Å; T19-N152 HydrophobicContact CG2-CB 3.34Å; T19-I153 HydrophobicContact CG2-CG1 4.2Å
20F43.5Very low45.2Very low27 Ų2780 Ų8012%0.11842%0.418CS..THydrogen-bonded Turntrans-95.3-16-174.8-60.2-66.2000114.8V15 S16 N22 Y135 L139 I149V15-F20 HydrophobicContact CG1-CE2 3.85Å; V15-F20 HydrophobicContact CG1-CZ 4.21Å; V15-F20 WeakPolarHBondContact O-CD2 3.38Å; V15-F20 WeakPolarHBondContact O-CE2 3.48Å; S16-F20 WeakPolarHBondContact O-CD2 3.15Å; F20-N22 VanDerWaalsContact C-N 3.34Å; F20-N22 PolarHBondContact O-N 2.7Å; F20-Y135 HydrophobicContact CD1-CE1 4.2Å; F20-Y135 HydrophobicContact CD2-CE1 4.33Å; F20-Y135 AromaticContact CE1-CE1 3.98Å; F20-Y135 HydrophobicContact CE1-CE1 3.98Å; F20-Y135 HydrophobicContact CE2-CE1 4.1Å; F20-Y135 HydrophobicContact CG-CE1 4.39Å; F20-Y135 AromaticContact CZ-CE1 3.94Å; F20-Y135 HydrophobicContact CZ-CE1 3.94Å; F20-L139 HydrophobicContact CD1-CD1 4.48Å; F20-L139 HydrophobicContact CE1-CD1 3.34Å; F20-L139 HydrophobicContact CE2-CD1 4.38Å; F20-L139 HydrophobicContact CZ-CD1 3.28Å; F20-I149 HydrophobicContact CE1-CD1 3.95Å; F20-I149 HydrophobicContact CE1-CG1 4.25Å; F20-I149 HydrophobicContact CZ-CD1 3.9Å; F20-I149 HydrophobicContact CZ-CG1 4.37Å
21G39.8Very low45.7Very low51 Ų5177.9 Ų77.953%0.52641%0.408SS..SBendtrans-70.1-26.1178.900000114.5E17E17-G21 PolarHBondContact O-N 3.25Å
22N40.2Very low46.4Very low149 Ų14984.8 Ų84.880%0.79744%0.437SS*.SBendtrans-101.3-1.2-173.1-89.6-1.8000115.4F20F20-N22 VanDerWaalsContact C-N 3.34Å; F20-N22 PolarHBondContact O-N 2.7Å
23E38.5Very low46.9Very low54 Ų5488.4 Ų88.425%0.25245%0.448SS..  trans-112.964.8179.3-71.2-176.5177.700111N25 I26 T148 N152E23-N25 PolarHBondContact O-N 2.89Å; E23-I26 HydrophobicContact CB-CG1 4.29Å; E23-I26 HydrophobicContact CG-CD1 4.42Å; E23-I26 WeakPolarHBondContact OE2-CD1 3.36Å; E23-T148 WeakPolarHBondContact OE1-CG2 3.08Å; E23-N152 PolarHBondContact OE1-ND2 3.33Å
24E42.1Very low47.6Very low187 Ų18787.9 Ų87.987%0.87445%0.446SS*.THydrogen-bonded Turntrans-60.2-10169.3-73.8-170.3151.900113.2
25N41.1Very low48.3Very low143 Ų14395.6 Ų95.677%0.76548%0.475SS*.THydrogen-bonded Turntrans-111.910.2-171.2-81.8-34.8000116.7E23 Y27E23-N25 PolarHBondContact O-N 2.89Å; N25-Y27 PolarHBondContact O-N 3.32Å
26I44.5Very low49.3Very low50 Ų5095.6 Ų95.626%0.25648%0.476SS..SBendtrans-103.285.4173.6-48-167.9000109.9E23 S28 Y145E23-I26 HydrophobicContact CB-CG1 4.29Å; E23-I26 HydrophobicContact CG-CD1 4.42Å; E23-I26 WeakPolarHBondContact OE2-CD1 3.36Å; I26-S28 PolarHBondContact O-N 3.24Å; I26-Y145 HydrophobicContact CG2-CE1 3.85Å; I26-Y145 WeakPolarHBondContact CG2-OH 3.28Å; I26-Y145 PolarHBondContact O-OH 3.24Å
27Y42.9Very low50.3Low193 Ų19399.1 Ų99.176%0.75749%0.491SS*.  trans-25.895.9167.4-72.4-95.1000113N25N25-Y27 PolarHBondContact O-N 3.32Å
28S47.3Very low51.3Low47 Ų4797 Ų9733%0.32948%0.481SS..  trans-104.462.917343.20000108.6I26 Q30I26-S28 PolarHBondContact O-N 3.24Å; S28-Q30 PolarHBondContact O-N 3.03Å; S28-Q30 VanDerWaalsContact O-N 3.07Å
29E51.3Low52.4Low177 Ų17794.4 Ų94.483%0.82746%0.464SS*.SBendtrans-69.5-0.6-179.3-82-176.4163.600113.9
30Q53.1Low53.7Low189 Ų18994 Ų9488%0.88346%0.461SS*.SBendtrans-132.9-6.2-178.3-66.6-172.5-22.700116S28S28-Q30 PolarHBondContact O-N 3.03Å; S28-Q30 VanDerWaalsContact O-N 3.07Å
31L53.5Low55Low53 Ų5392.7 Ų92.728%0.27746%0.456SS..SBendtrans-108.4104.6179.7-11872.3000108.6R33 Y135 S138 L139L31-R33 PolarHBondContact O-N 3.48Å; L31-Y135 HydrophobicContact CB-CE2 4.04Å; L31-Y135 HydrophobicContact CD2-CD2 4.02Å; L31-Y135 HydrophobicContact CD2-CE2 3.84Å; L31-Y135 HydrophobicContact CG-CD2 4.39Å; L31-Y135 HydrophobicContact CG-CE2 4.3Å; L31-S138 WeakPolarHBondContact CD2-OG 3.42Å; L31-L139 HydrophobicContact CD2-CD2 3.52Å; L31-L139 HydrophobicContact CD2-CG 3.61Å
32E59.1Low56.4Low186 Ų18691.8 Ų91.887%0.86944%0.439SS*.  trans-61.1106.3173.8-73.1-172.8171.200109.1
33R59.9Low57.9Low128 Ų12885.6 Ų85.648%0.48341%0.407SS..  trans-62.8138173.8-174.8-177.4-71.1175-4.1108.5L31 Q35 Y135L31-R33 PolarHBondContact O-N 3.48Å; R33-Q35 PolarHBondContact O-N 3.07Å; R33-Y135 HydrophobicContact CB-CE2 4.34Å
34P62.4Low59.8Low17 Ų1783.9 Ų83.911%0.1140%0.399CS..  trans-53.4126.3173.2-25.834000110.4C36 D131 H132 Y135P34-C36 PolarHBondContact O-N 2.98Å; P34-D131 HydrophobicContact CB-CB 3.97Å; P34-D131 HydrophobicContact CG-CB 4.12Å; P34-H132 HydrophobicContact CG-CB 4.48Å; P34-Y135 HydrophobicContact CG-CD1 4.45Å; P34-Y135 HydrophobicContact CG-CG 4.12Å
35Q64.3Low61.5Low187 Ų18779.3 Ų79.387%0.87437%0.373SS*.SBendtrans-77.4-7-178.8-61.5-177.115.100112.7R33R33-Q35 PolarHBondContact O-N 3.07Å
36C67.7Low63.2Low24 Ų2477 Ų7716%0.16236%0.36CS..SBendtrans-96.1138.8-178.265.40000111.8P34 L38 L120 C128 H132P34-C36 PolarHBondContact O-N 2.98Å; C36-L38 PolarHBondContact O-N 2.77Å; C36-L120 HydrophobicContact CB-CD1 4.29Å; C36-C128 HydrophobicContact CB-CB 3.77Å; C36-C128 WeakPolarHBondContact CB-SG 3.44Å; C36-C128 WeakPolarHBondContact SG-CA 3.4Å; C36-C128 WeakPolarHBondContact SG-CB 3.33Å; C36-C128 CovalentContact SG-SG 2.02Å; C36-C128 PolarHBondContact SG-SG 3.35Å; C36-H132 PolarHBondContact O-NE2 2.99Å; C36-H132 VanDerWaalsContact O-NE2 3.11Å
37H70.8Confident64.8Low85 Ų8575.2 Ų75.239%0.39435%0.354SS..  trans-90.288.1176.6-66.2-78.5000110.5L39 C40 G41 H117H37-L39 PolarHBondContact O-N 3.04Å; H37-C40 HydrophobicContact CB-CB 3.84Å; H37-C40 WeakPolarHBondContact O-CB 3.03Å; H37-C40 PolarHBondContact O-N 3.32Å; H37-G41 PolarHBondContact O-N 3.24Å; H37-H117 AromaticContact CD2-CD2 3.46Å; H37-H117 PolarHBondContact CD2-CD2 2.94Å; H37-H117 VanDerWaalsContact CD2-CD2 3.46Å; H37-H117 AromaticContact CD2-CE1 3.36Å; H37-H117 PolarHBondContact CD2-CE1 3.41Å; H37-H117 AromaticContact CD2-CG 3.68Å; H37-H117 AromaticContact CD2-ND1 3.61Å; H37-H117 AromaticContact CD2-NE2 3.31Å; H37-H117 PolarHBondContact CD2-NE2 3.22Å; H37-H117 VanDerWaalsContact CD2-NE2 3.31Å; H37-H117 AromaticContact CE1-CE1 3.42Å; H37-H117 PolarHBondContact CE1-CE1 3.06Å; H37-H117 VanDerWaalsContact CE1-CE1 3.42Å; H37-H117 AromaticContact CE1-NE2 3.42Å; H37-H117 PolarHBondContact CE1-NE2 3.11Å; H37-H117 AromaticContact CG-CE1 3.18Å; H37-H117 AromaticContact CG-CG 3.93Å; H37-H117 AromaticContact CG-ND1 3.4Å; H37-H117 AromaticContact CG-NE2 3.65Å; H37-H117 AromaticContact ND1-CE1 3.24Å; H37-H117 PolarHBondContact ND1-CE1 3.14Å; H37-H117 AromaticContact ND1-ND1 3.9Å; H37-H117 AromaticContact ND1-NE2 3.72Å; H37-H117 AromaticContact NE2-CD2 3.66Å; H37-H117 AromaticContact NE2-CE1 3.51Å; H37-H117 AromaticContact NE2-NE2 3.15Å; H37-H117 PolarHBondContact NE2-NE2 3.34Å; H37-H117 VanDerWaalsContact NE2-NE2 3.15Å
38L68.4Low66.7Low1 Ų171.8 Ų71.81%0.00534%0.339CS..Hα-helixtrans-61.2-42.8-170.5-177.355.2000112.6L13 C36 C40 G41 L42 C128 I129 H132L13-L38 HydrophobicContact CD2-CD1 4.45Å; L13-L38 HydrophobicContact CD2-CD2 3.3Å; L13-L38 HydrophobicContact CD2-CG 3.62Å; C36-L38 PolarHBondContact O-N 2.77Å; L38-C40 VanDerWaalsContact C-N 3.33Å; L38-C40 PolarHBondContact O-N 3.28Å; L38-G41 PolarHBondContact O-N 2.88Å; L38-L42 HydrophobicContact CD1-CD1 3.88Å; L38-L42 HydrophobicContact CD1-CG 3.98Å; L38-L42 HydrophobicContact CG-CD1 3.91Å; L38-L42 HydrophobicContact CG-CG 4.42Å; L38-L42 WeakPolarHBondContact O-CB 3.46Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 2.93Å; L38-C128 HydrophobicContact CD1-CB 4.3Å; L38-I129 HydrophobicContact CD1-CG1 3.65Å; L38-I129 HydrophobicContact CD2-CG1 4.15Å; L38-H132 HydrophobicContact CD2-CB 4.12Å
39L67.1Low68.2Low24 Ų2472.6 Ų72.613%0.12634%0.34CS..Hα-helixtrans-65-39177.9-64.7-168.8000111.3L13 E17 H37 L42 C43 F112L13-L39 HydrophobicContact CB-CD2 3.96Å; E17-L39 HydrophobicContact CB-CD1 3.72Å; E17-L39 HydrophobicContact CB-CG 4.32Å; E17-L39 HydrophobicContact CG-CD1 4.06Å; E17-L39 HydrophobicContact CG-CG 4.12Å; E17-L39 WeakPolarHBondContact OE2-CB 3.04Å; E17-L39 VanDerWaalsContact OE2-CD1 3.31Å; E17-L39 WeakPolarHBondContact OE2-CD1 3.25Å; H37-L39 PolarHBondContact O-N 3.04Å; L39-L42 PolarHBondContact O-N 3.03Å; L39-C43 WeakPolarHBondContact O-CB 3.33Å; L39-C43 PolarHBondContact O-N 3.16Å; L39-F112 HydrophobicContact CB-CB 4.19Å; L39-F112 HydrophobicContact CB-CD1 4.12Å; L39-F112 HydrophobicContact CB-CG 4.25Å; L39-F112 HydrophobicContact CD1-CD1 4Å; L39-F112 HydrophobicContact CD1-CE1 4.18Å
40C70.2Confident69.4Low1 Ų167.8 Ų67.81%0.00732%0.319CS..Hα-helixtrans-59.6-49.6173.6-1740000111.7H37 L38 L42 C43 R44 F112 C113 H117H37-C40 HydrophobicContact CB-CB 3.84Å; H37-C40 WeakPolarHBondContact O-CB 3.03Å; H37-C40 PolarHBondContact O-N 3.32Å; L38-C40 VanDerWaalsContact C-N 3.33Å; L38-C40 PolarHBondContact O-N 3.28Å; C40-L42 PolarHBondContact O-N 2.93Å; C40-C43 PolarHBondContact O-N 3.33Å; C40-R44 WeakPolarHBondContact O-CB 3.35Å; C40-R44 WeakPolarHBondContact O-CG 3.09Å; C40-R44 PolarHBondContact O-N 3.4Å; C40-F112 WeakPolarHBondContact CA-O 3.39Å; C40-F112 WeakPolarHBondContact CB-O 3.48Å; C40-F112 PolarHBondContact N-O 3.28Å; C40-C113 WeakPolarHBondContact CA-SG 3.43Å; C40-C113 HydrophobicContact CB-CB 4.07Å; C40-C113 WeakPolarHBondContact CB-SG 3.46Å; C40-C113 WeakPolarHBondContact SG-CB 3.3Å; C40-C113 CovalentContact SG-SG 2.04Å; C40-C113 PolarHBondContact SG-SG 3.04Å; C40-H117 HydrophobicContact CB-CB 4.44Å; C40-H117 VanDerWaalsContact SG-CB 3.57Å
41G71.3Confident70.7Confident1 Ų161.2 Ų61.21%0.0129%0.288CS..Hα-helixtrans-60.3-46-179.800000112.2H37 L38 R44 R45H37-G41 PolarHBondContact O-N 3.24Å; L38-G41 PolarHBondContact O-N 2.88Å; G41-R44 PolarHBondContact O-N 3.42Å; G41-R45 WeakPolarHBondContact O-CB 3.4Å; G41-R45 PolarHBondContact O-N 2.95Å
42L69.3Low72Confident32 Ų3263.5 Ų63.517%0.16830%0.299CS..Hα-helixtrans-67.7-44178.2-72.2173.8000112.5L13 L38 L39 C40 R44 R45 I46 I125L13-L42 HydrophobicContact CD1-CD1 3.53Å; L13-L42 HydrophobicContact CD2-CD1 3.28Å; L13-L42 HydrophobicContact CG-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CD1 3.88Å; L38-L42 HydrophobicContact CD1-CG 3.98Å; L38-L42 HydrophobicContact CG-CD1 3.91Å; L38-L42 HydrophobicContact CG-CG 4.42Å; L38-L42 WeakPolarHBondContact O-CB 3.46Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 2.93Å; L39-L42 PolarHBondContact O-N 3.03Å; C40-L42 PolarHBondContact O-N 2.93Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.19Å; L42-R45 PolarHBondContact O-N 3.31Å; L42-R45 VanDerWaalsContact O-N 3.17Å; L42-I46 WeakPolarHBondContact O-CB 3.47Å; L42-I46 VanDerWaalsContact O-CG1 3.31Å; L42-I46 WeakPolarHBondContact O-CG1 3.18Å; L42-I46 PolarHBondContact O-N 2.04Å; L42-I125 HydrophobicContact CD2-CG2 4.13Å
43C70.5Confident72.7Confident19 Ų1959.5 Ų59.513%0.12828%0.279CS..Hα-helixtrans-56.8-49175.9177.80000110.6L39 C40 R45 I46 G47 C107 F112L39-C43 WeakPolarHBondContact O-CB 3.33Å; L39-C43 PolarHBondContact O-N 3.16Å; C40-C43 PolarHBondContact O-N 3.33Å; C43-R45 VanDerWaalsContact C-N 3.28Å; C43-R45 PolarHBondContact O-N 3.43Å; C43-I46 PolarHBondContact O-N 3.29Å; C43-G47 PolarHBondContact O-N 3.29Å; C43-C107 HydrophobicContact CB-CB 3.87Å; C43-C107 WeakPolarHBondContact CB-SG 3.27Å; C43-C107 WeakPolarHBondContact SG-CA 3.49Å; C43-C107 WeakPolarHBondContact SG-CB 3.03Å; C43-C107 CovalentContact SG-SG 2.04Å; C43-C107 PolarHBondContact SG-SG 2.84Å; C43-F112 HydrophobicContact CB-CB 4.21Å; C43-F112 HydrophobicContact CB-CD2 3.74Å; C43-F112 HydrophobicContact CB-CG 4.41Å
44R79Confident73.7Confident18 Ų1854.8 Ų54.87%0.06826%0.263CS..Hα-helixtrans-63.7-35.6179.6-73.1-179.2175.4174.23.3112.3C40 G41 L42 R48 V103 C107 H117 T118 M119C40-R44 WeakPolarHBondContact O-CB 3.35Å; C40-R44 WeakPolarHBondContact O-CG 3.09Å; C40-R44 PolarHBondContact O-N 3.4Å; G41-R44 PolarHBondContact O-N 3.42Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.19Å; R44-R48 WeakPolarHBondContact O-CB 3.4Å; R44-R48 VanDerWaalsContact O-CG 3.3Å; R44-R48 WeakPolarHBondContact O-CG 3.35Å; R44-R48 PolarHBondContact O-N 3.22Å; R44-R48 VanDerWaalsContact O-N 3.14Å; R44-V103 HydrophobicContact CB-CG1 4.37Å; R44-V103 HydrophobicContact CG-CG1 4.43Å; R44-C107 HydrophobicContact CG-CB 4.26Å; R44-C107 PolarHBondContact N-SG 3.32Å; R44-C107 VanDerWaalsContact N-SG 3.35Å; R44-H117 VanDerWaalsContact CZ-O 3.25Å; R44-H117 PolarHBondContact NH1-O 2.03Å; R44-H117 PolarHBondContact NH2-O 2.8Å; R44-T118 VanDerWaalsContact NH1-C 3.3Å; R44-T118 PolarHBondContact NH1-O 3.48Å; R44-M119 HydrophobicContact CB-CG 4.47Å
45R77.9Confident74.4Confident91 Ų9157.8 Ų57.834%0.34328%0.275SS..Hα-helixtrans-68-50.3176.6-176.362177.5172.55.1111.4G41 L42 C43 R48 L49 I125G41-R45 WeakPolarHBondContact O-CB 3.4Å; G41-R45 PolarHBondContact O-N 2.95Å; L42-R45 PolarHBondContact O-N 3.31Å; L42-R45 VanDerWaalsContact O-N 3.17Å; C43-R45 VanDerWaalsContact C-N 3.28Å; C43-R45 PolarHBondContact O-N 3.43Å; R45-R48 PolarHBondContact O-N 2.89Å; R45-L49 HydrophobicContact CG-CD1 4.49Å; R45-L49 WeakPolarHBondContact O-CG 3.2Å; R45-L49 PolarHBondContact O-N 2.92Å; R45-I125 HydrophobicContact CB-CD1 4.15Å; R45-I125 HydrophobicContact CG-CD1 4.23Å
46I76.2Confident74.7Confident95 Ų9555.6 Ų55.649%0.48727%0.27SS..Hα-helixtrans-62.7-46.8179.5-67.9168.6000110.1L42 C43 R48 L49 I50L42-I46 WeakPolarHBondContact O-CB 3.47Å; L42-I46 VanDerWaalsContact O-CG1 3.31Å; L42-I46 WeakPolarHBondContact O-CG1 3.18Å; L42-I46 PolarHBondContact O-N 2.04Å; C43-I46 PolarHBondContact O-N 3.29Å; I46-R48 VanDerWaalsContact C-N 3.29Å; I46-R48 PolarHBondContact O-N 2.91Å; I46-L49 WeakPolarHBondContact O-CB 3.35Å; I46-L49 PolarHBondContact O-N 3.45Å; I46-L49 VanDerWaalsContact O-N 3.1Å; I46-I50 HydrophobicContact CG2-CD1 3.74Å; I46-I50 HydrophobicContact CG2-CG1 4.28Å; I46-I50 WeakPolarHBondContact O-CG1 3.37Å; I46-I50 PolarHBondContact O-N 2.86Å
47G79.8Confident74.9Confident12 Ų1257.7 Ų57.712%0.12428%0.277CS..Hα-helixtrans-59.3-37.3177.700000113C43 K51C43-G47 PolarHBondContact O-N 3.29Å; G47-K51 WeakPolarHBondContact O-CB 3.4Å; G47-K51 PolarHBondContact O-N 3.27Å
48R82.2Confident75Confident120 Ų12058 Ų5845%0.45329%0.287SS..Hα-helixtrans-69.1-40.8172.8-77.4-179.8-176.3-163.41.5113.1R44 R45 I46 I50 K51 I52 V103 M119R44-R48 WeakPolarHBondContact O-CB 3.4Å; R44-R48 VanDerWaalsContact O-CG 3.3Å; R44-R48 WeakPolarHBondContact O-CG 3.35Å; R44-R48 PolarHBondContact O-N 3.22Å; R44-R48 VanDerWaalsContact O-N 3.14Å; R45-R48 PolarHBondContact O-N 2.89Å; I46-R48 VanDerWaalsContact C-N 3.29Å; I46-R48 PolarHBondContact O-N 2.91Å; R48-I50 VanDerWaalsContact C-N 3.33Å; R48-K51 PolarHBondContact O-N 3.37Å; R48-I52 WeakPolarHBondContact O-CG1 3.28Å; R48-I52 PolarHBondContact O-N 3.26Å; R48-V103 HydrophobicContact CG-CG1 4.45Å; R48-V103 HydrophobicContact CG-CG2 4.4Å; R48-M119 PolarHBondContact NH1-SD 3.4Å; R48-M119 PolarHBondContact NH2-SD 3.39Å
49L78.6Confident75.3Confident65 Ų6561.6 Ų61.634%0.3430%0.302SS..Hα-helixtrans-61-47174.5-72.4172.9000109.9R45 I46 K51 I52 F53R45-L49 HydrophobicContact CG-CD1 4.49Å; R45-L49 WeakPolarHBondContact O-CG 3.2Å; R45-L49 PolarHBondContact O-N 2.92Å; I46-L49 WeakPolarHBondContact O-CB 3.35Å; I46-L49 PolarHBondContact O-N 3.45Å; I46-L49 VanDerWaalsContact O-N 3.1Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 2.69Å; L49-I52 PolarHBondContact O-N 2.87Å; L49-F53 HydrophobicContact CB-CD2 4.23Å; L49-F53 HydrophobicContact CB-CE2 4.21Å; L49-F53 WeakPolarHBondContact O-CB 3.44Å; L49-F53 WeakPolarHBondContact O-CD2 2.94Å; L49-F53 WeakPolarHBondContact O-CG 3.47Å; L49-F53 PolarHBondContact O-N 3.18Å
50I76.1Confident75.8Confident75 Ų7560.4 Ų60.439%0.38530%0.296SS..Hα-helixtrans-55.7-48.7174.3-68.6169.1000110I46 R48 I52 F53 L54I46-I50 HydrophobicContact CG2-CD1 3.74Å; I46-I50 HydrophobicContact CG2-CG1 4.28Å; I46-I50 WeakPolarHBondContact O-CG1 3.37Å; I46-I50 PolarHBondContact O-N 2.86Å; R48-I50 VanDerWaalsContact C-N 3.33Å; I50-I52 PolarHBondContact O-N 2.85Å; I50-F53 CarbonylContact O-C 3.53Å; I50-F53 PolarHBondContact O-N 3.4Å; I50-L54 HydrophobicContact CG2-CD1 3.62Å; I50-L54 HydrophobicContact CG2-CG 4.04Å; I50-L54 WeakPolarHBondContact O-CB 3.42Å; I50-L54 VanDerWaalsContact O-CG 3.23Å; I50-L54 WeakPolarHBondContact O-CG 3.32Å; I50-L54 PolarHBondContact O-N 3.34Å
51K80.1Confident76.3Confident52 Ų5263.5 Ų63.523%0.22632%0.317CS..Hα-helixtrans-54.3-51.7177.2-176.1172.4-177.6141.20112G47 R48 L49 F53 L54 E55 A98 D99 I101G47-K51 WeakPolarHBondContact O-CB 3.4Å; G47-K51 PolarHBondContact O-N 3.27Å; R48-K51 PolarHBondContact O-N 3.37Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 2.69Å; K51-F53 PolarHBondContact O-N 3.01Å; K51-L54 PolarHBondContact O-N 2.84Å; K51-L54 VanDerWaalsContact O-N 3.08Å; K51-E55 WeakPolarHBondContact CE-OE1 3.31Å; K51-E55 HydrophobicContact CG-CG 4.4Å; K51-E55 WeakPolarHBondContact CG-OE1 3.47Å; K51-E55 IonicContact NZ-OE1 3.87Å; K51-E55 WeakPolarHBondContact O-CG 3.23Å; K51-E55 PolarHBondContact O-N 3.38Å; K51-A98 WeakPolarHBondContact CE-O 3.35Å; K51-A98 PolarHBondContact NZ-O 3.43Å; K51-A98 VanDerWaalsContact NZ-O 3.17Å; K51-D99 PolarHBondContact NZ-O 3.29Å; K51-I101 HydrophobicContact CB-CG2 3.9Å; K51-I101 HydrophobicContact CD-CG2 3.62Å; K51-I101 HydrophobicContact CG-CG2 3.73Å
52I80.5Confident76.8Confident101 Ų10167.8 Ų67.852%0.51834%0.339SS..Hα-helixtrans-59.1-46.4177.7-66.2163.7000111R48 L49 I50 L54 E55 D56R48-I52 WeakPolarHBondContact O-CG1 3.28Å; R48-I52 PolarHBondContact O-N 3.26Å; L49-I52 PolarHBondContact O-N 2.87Å; I50-I52 PolarHBondContact O-N 2.85Å; I52-L54 PolarHBondContact O-N 3.44Å; I52-E55 PolarHBondContact O-N 3.43Å; I52-D56 PolarHBondContact O-N 3.42Å
53F75.3Confident77.1Confident102 Ų10269.5 Ų69.545%0.44735%0.35SS..Hα-helixtrans-63-29.6177.3-79.6-62.7000112.4L49 I50 K51 E57L49-F53 HydrophobicContact CB-CD2 4.23Å; L49-F53 HydrophobicContact CB-CE2 4.21Å; L49-F53 WeakPolarHBondContact O-CB 3.44Å; L49-F53 WeakPolarHBondContact O-CD2 2.94Å; L49-F53 WeakPolarHBondContact O-CG 3.47Å; L49-F53 PolarHBondContact O-N 3.18Å; I50-F53 CarbonylContact O-C 3.53Å; I50-F53 PolarHBondContact O-N 3.4Å; K51-F53 PolarHBondContact O-N 3.01Å; F53-E57 HydrophobicContact CB-CG 4.26Å; F53-E57 HydrophobicContact CD1-CG 3.8Å; F53-E57 VanDerWaalsContact CD1-OE1 3.3Å; F53-E57 WeakPolarHBondContact CD1-OE1 3.45Å; F53-E57 WeakPolarHBondContact O-CB 3.1Å; F53-E57 WeakPolarHBondContact O-CG 3.47Å
54L79.4Confident77.8Confident28 Ų2869.5 Ų69.515%0.14735%0.351CS..Hα-helixtrans-87-20.5178.2-62.9178.6000112.9I50 K51 I52 F59 I60 I94 H95 F97 A98I50-L54 HydrophobicContact CG2-CD1 3.62Å; I50-L54 HydrophobicContact CG2-CG 4.04Å; I50-L54 WeakPolarHBondContact O-CB 3.42Å; I50-L54 VanDerWaalsContact O-CG 3.23Å; I50-L54 WeakPolarHBondContact O-CG 3.32Å; I50-L54 PolarHBondContact O-N 3.34Å; K51-L54 PolarHBondContact O-N 2.84Å; K51-L54 VanDerWaalsContact O-N 3.08Å; I52-L54 PolarHBondContact O-N 3.44Å; L54-F59 HydrophobicContact CD2-CZ 4.18Å; L54-I60 WeakPolarHBondContact O-CD1 3.07Å; L54-I94 HydrophobicContact CB-CG2 3.99Å; L54-I94 HydrophobicContact CD2-CG2 3.7Å; L54-I94 HydrophobicContact CG-CG2 4.25Å; L54-H95 PolarHBondContact O-ND1 3Å; L54-F97 HydrophobicContact CD1-CD1 3.87Å; L54-F97 HydrophobicContact CD1-CE1 4.01Å; L54-A98 HydrophobicContact CB-CB 3.57Å
55E77.9Confident78.2Confident80 Ų8076.2 Ų76.237%0.37438%0.376SS..Hα-helixtrans-79.1-43.8177.7-76172.6169.800112.3K51 I52 A98K51-E55 WeakPolarHBondContact CE-OE1 3.31Å; K51-E55 HydrophobicContact CG-CG 4.4Å; K51-E55 WeakPolarHBondContact CG-OE1 3.47Å; K51-E55 IonicContact NZ-OE1 3.87Å; K51-E55 WeakPolarHBondContact O-CG 3.23Å; K51-E55 PolarHBondContact O-N 3.38Å; I52-E55 PolarHBondContact O-N 3.43Å; E55-A98 HydrophobicContact CG-CB 3.91Å
56D71.6Confident78.6Confident141 Ų14176.2 Ų76.275%0.75439%0.386SS*.Hα-helixtrans-121.78.8-162-158.320.8000114.7I52I52-D56 PolarHBondContact O-N 3.42Å
57E70.3Confident79.1Confident68 Ų6874 Ų7432%0.31838%0.375SS..  trans-95130.3-171.1-75.9-81.1168.400115.3F53 F59 I60F53-E57 HydrophobicContact CB-CG 4.26Å; F53-E57 HydrophobicContact CD1-CG 3.8Å; F53-E57 VanDerWaalsContact CD1-OE1 3.3Å; F53-E57 WeakPolarHBondContact CD1-OE1 3.45Å; F53-E57 WeakPolarHBondContact O-CB 3.1Å; F53-E57 WeakPolarHBondContact O-CG 3.47Å; E57-F59 HydrophobicContact CB-CD1 3.22Å; E57-F59 HydrophobicContact CB-CE1 3.28Å; E57-F59 HydrophobicContact CB-CG 4.15Å; E57-F59 HydrophobicContact CB-CZ 4.26Å; E57-F59 HydrophobicContact CG-CD1 3.74Å; E57-F59 HydrophobicContact CG-CE1 3.58Å; E57-F59 PolarHBondContact O-N 2.93Å; E57-I60 PolarHBondContact O-N 2.87Å
58P74.6Confident79.7Confident91 Ų9177.3 Ų77.359%0.59138%0.384SS*.THydrogen-bonded Turntrans-66.6-10175.329.2-37000113.3I60 P61P58-I60 VanDerWaalsContact C-N 3.28Å; P58-I60 PolarHBondContact O-N 3.32Å; P58-P61 WeakPolarHBondContact O-CD 3.29Å
59F74.4Confident80.3Confident77 Ų7776.5 Ų76.534%0.33839%0.386SS..Hα-helixtrans-69.1-25.7178.578.9-107.9000112.6L54 E57 L62 T63L54-F59 HydrophobicContact CD2-CZ 4.18Å; E57-F59 HydrophobicContact CB-CD1 3.22Å; E57-F59 HydrophobicContact CB-CE1 3.28Å; E57-F59 HydrophobicContact CB-CG 4.15Å; E57-F59 HydrophobicContact CB-CZ 4.26Å; E57-F59 HydrophobicContact CG-CD1 3.74Å; E57-F59 HydrophobicContact CG-CE1 3.58Å; E57-F59 PolarHBondContact O-N 2.93Å; F59-L62 CarbonylContact O-C 3.53Å; F59-L62 WeakPolarHBondContact O-CA 3.26Å; F59-L62 WeakPolarHBondContact O-CB 3.47Å; F59-L62 PolarHBondContact O-N 3.49Å; F59-T63 PolarHBondContact O-N 2.92Å; F59-T63 PolarHBondContact O-OG1 3.48Å; F59-T63 VanDerWaalsContact O-OG1 3.14Å
60I77.8Confident80.9Confident0 Ų078.9 Ų78.90%040%0.396CS..Hα-helixtrans-60.7-50.9-175.7-68.7164.6000111.5L54 E57 P58 L62 T63 S64 P91 I94L54-I60 WeakPolarHBondContact O-CD1 3.07Å; E57-I60 PolarHBondContact O-N 2.87Å; P58-I60 VanDerWaalsContact C-N 3.28Å; P58-I60 PolarHBondContact O-N 3.32Å; I60-L62 VanDerWaalsContact C-N 3.26Å; I60-L62 PolarHBondContact O-N 2.93Å; I60-T63 PolarHBondContact O-N 3.27Å; I60-S64 PolarHBondContact O-N 3.36Å; I60-S64 VanDerWaalsContact O-N 3.08Å; I60-P91 HydrophobicContact CG2-CB 3.72Å; I60-P91 HydrophobicContact CG2-CG 4.21Å; I60-I94 HydrophobicContact CD1-CB 4.4Å; I60-I94 HydrophobicContact CD1-CG2 3.5Å; I60-I94 VanDerWaalsContact CD1-CG2 3.5Å; I60-I94 HydrophobicContact CG1-CD1 4.41Å; I60-I94 HydrophobicContact CG1-CG2 4.02Å; I60-I94 HydrophobicContact CG2-CB 4.38Å; I60-I94 HydrophobicContact CG2-CD1 4.02Å
61P80.5Confident81.6Confident66 Ų6675.3 Ų75.343%0.42938%0.378SS..Hα-helixtrans-59.1-33.9170.5-25.832.9000114P58 R65P58-P61 WeakPolarHBondContact O-CD 3.29Å; P61-R65 WeakPolarHBondContact O-CB 3.25Å; P61-R65 PolarHBondContact O-N 3.04Å
62L81.3Confident82.3Confident91 Ų9177.6 Ų77.648%0.47639%0.388SS..Hα-helixtrans-67.4-44177.6-65.8173.9000111.3F59 I60 S64 R65 V66F59-L62 CarbonylContact O-C 3.53Å; F59-L62 WeakPolarHBondContact O-CA 3.26Å; F59-L62 WeakPolarHBondContact O-CB 3.47Å; F59-L62 PolarHBondContact O-N 3.49Å; I60-L62 VanDerWaalsContact C-N 3.26Å; I60-L62 PolarHBondContact O-N 2.93Å; L62-S64 PolarHBondContact O-N 3.23Å; L62-R65 WeakPolarHBondContact O-CB 3.08Å; L62-R65 PolarHBondContact O-N 3.05Å; L62-R65 VanDerWaalsContact O-N 3.15Å; L62-V66 WeakPolarHBondContact O-CG2 3.21Å; L62-V66 PolarHBondContact O-N 3.33Å
63T75.9Confident83Confident67 Ų6779.4 Ų79.441%0.41140%0.398SS..Hα-helixtrans-59.9-45.6175.4-61.10000110.9F59 I60 R65 V66 L67 L90F59-T63 PolarHBondContact O-N 2.92Å; F59-T63 PolarHBondContact O-OG1 3.48Å; F59-T63 VanDerWaalsContact O-OG1 3.14Å; I60-T63 PolarHBondContact O-N 3.27Å; T63-R65 VanDerWaalsContact C-N 3.31Å; T63-R65 PolarHBondContact O-N 3.23Å; T63-V66 PolarHBondContact O-N 3.37Å; T63-L67 WeakPolarHBondContact O-CB 3.23Å; T63-L67 PolarHBondContact O-N 3.5Å; T63-L90 HydrophobicContact CG2-CD2 4.46Å
64S85.3Confident84Confident19 Ų1976.9 Ų76.913%0.13339%0.389CS..Hα-helixtrans-58.8-42.6174.2165.80000111.7I60 L62 L67 Y68 T87I60-S64 PolarHBondContact O-N 3.36Å; I60-S64 VanDerWaalsContact O-N 3.08Å; L62-S64 PolarHBondContact O-N 3.23Å; S64-L67 PolarHBondContact O-N 2.87Å; S64-Y68 VanDerWaalsContact O-CB 3.28Å; S64-Y68 WeakPolarHBondContact O-CB 3.03Å; S64-Y68 PolarHBondContact O-N 3.5Å; S64-T87 PolarHBondContact OG-O 2.86Å
65R87.5Confident84.6Confident159 Ų15981.2 Ų81.260%0.642%0.418SS*.Hα-helixtrans-64.7-42.5178.1-171-177.9-59.5170.73.4112.9P61 L62 T63 Y68 Q69P61-R65 WeakPolarHBondContact O-CB 3.25Å; P61-R65 PolarHBondContact O-N 3.04Å; L62-R65 WeakPolarHBondContact O-CB 3.08Å; L62-R65 PolarHBondContact O-N 3.05Å; L62-R65 VanDerWaalsContact O-N 3.15Å; T63-R65 VanDerWaalsContact C-N 3.31Å; T63-R65 PolarHBondContact O-N 3.23Å; R65-Y68 PolarHBondContact O-N 2.94Å; R65-Q69 WeakPolarHBondContact O-CG 3.4Å; R65-Q69 PolarHBondContact O-N 3.17Å
66V86.3Confident85.5Confident91 Ų9181.6 Ų81.655%0.55242%0.42SS*.Hα-helixtrans-64.7-48.4176.5172.30000110L62 T63 Y68 Q69 M70L62-V66 WeakPolarHBondContact O-CG2 3.21Å; L62-V66 PolarHBondContact O-N 3.33Å; T63-V66 PolarHBondContact O-N 3.37Å; V66-Y68 VanDerWaalsContact C-N 3.27Å; V66-Y68 PolarHBondContact O-N 3.48Å; V66-Q69 PolarHBondContact O-N 3.44Å; V66-Q69 VanDerWaalsContact O-N 3.08Å; V66-M70 HydrophobicContact CG1-SD 4.25Å; V66-M70 WeakPolarHBondContact O-CG 3.36Å; V66-M70 PolarHBondContact O-N 2.84Å; V66-M70 VanDerWaalsContact O-N 3.07Å
67L85.7Confident86.7Confident49 Ų4983.7 Ų83.726%0.25742%0.417SS..Hα-helixtrans-58.3-40.9177.2-176.862.7000111.2T63 S64 Q69 M70 C71 I86 T87 L90T63-L67 WeakPolarHBondContact O-CB 3.23Å; T63-L67 PolarHBondContact O-N 3.5Å; S64-L67 PolarHBondContact O-N 2.87Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 2.85Å; L67-M70 CarbonylContact O-C 3.56Å; L67-M70 WeakPolarHBondContact O-CA 2.94Å; L67-M70 WeakPolarHBondContact O-CB 3.46Å; L67-M70 PolarHBondContact O-N 3.25Å; L67-C71 PolarHBondContact O-N 3.41Å; L67-C71 PolarHBondContact O-SG 2.89Å; L67-I86 HydrophobicContact CD2-CG2 4.06Å; L67-T87 HydrophobicContact CB-CG2 3.94Å; L67-T87 HydrophobicContact CD2-CG2 3.83Å; L67-T87 HydrophobicContact CG-CG2 3.62Å; L67-L90 HydrophobicContact CD2-CD2 4.07Å
68Y93.2Very high87.9Confident81 Ų8185.2 Ų85.232%0.31842%0.424SS..Hα-helixtrans-59.1-40.2176.2175.6-92.9000112.7S64 R65 V66 C71 K72 L84S64-Y68 VanDerWaalsContact O-CB 3.28Å; S64-Y68 WeakPolarHBondContact O-CB 3.03Å; S64-Y68 PolarHBondContact O-N 3.5Å; R65-Y68 PolarHBondContact O-N 2.94Å; V66-Y68 VanDerWaalsContact C-N 3.27Å; V66-Y68 PolarHBondContact O-N 3.48Å; Y68-C71 PolarHBondContact O-N 3.26Å; Y68-K72 HydrophobicContact CE1-CD 4.17Å; Y68-K72 PolarHBondContact O-N 2.88Å; Y68-K72 WeakPolarHBondContact OH-CE 2.94Å; Y68-K72 PolarHBondContact OH-NZ 2.89Å; Y68-L84 HydrophobicContact CD2-CD2 3.46Å; Y68-L84 VanDerWaalsContact CD2-CD2 3.46Å; Y68-L84 HydrophobicContact CE2-CD2 3.53Å; Y68-L84 HydrophobicContact CG-CD2 4.28Å
69Q94Very high89Confident104 Ų10488.7 Ų88.749%0.48643%0.426SS..Hα-helixtrans-66.1-39.5173.6-60.2-54.4-32.700111.7R65 V66 L67 K72R65-Q69 WeakPolarHBondContact O-CG 3.4Å; R65-Q69 PolarHBondContact O-N 3.17Å; V66-Q69 PolarHBondContact O-N 3.44Å; V66-Q69 VanDerWaalsContact O-N 3.08Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 2.85Å; Q69-K72 PolarHBondContact O-N 3.31Å
70M90.8Very high90Very high115 Ų11589.1 Ų89.157%0.56743%0.425SS*.Hα-helixtrans-64.7-41.9176.4-63.5175.869.500111.7V66 L67 K72 L73V66-M70 HydrophobicContact CG1-SD 4.25Å; V66-M70 WeakPolarHBondContact O-CG 3.36Å; V66-M70 PolarHBondContact O-N 2.84Å; V66-M70 VanDerWaalsContact O-N 3.07Å; L67-M70 CarbonylContact O-C 3.56Å; L67-M70 WeakPolarHBondContact O-CA 2.94Å; L67-M70 WeakPolarHBondContact O-CB 3.46Å; L67-M70 PolarHBondContact O-N 3.25Å; M70-K72 VanDerWaalsContact C-N 3.26Å; M70-K72 PolarHBondContact O-N 2.97Å; M70-L73 WeakPolarHBondContact O-CB 3.35Å; M70-L73 PolarHBondContact O-N 2.9Å
71C91.6Very high90.9Very high0 Ų092.4 Ų92.40%044%0.443CS..Hα-helixtrans-58.7-37.6178.4-62.50000112.1L67 Y68 L73 I74 R80 C83 L84L67-C71 PolarHBondContact O-N 3.41Å; L67-C71 PolarHBondContact O-SG 2.89Å; Y68-C71 PolarHBondContact O-N 3.26Å; C71-L73 PolarHBondContact O-N 2.95Å; C71-L73 VanDerWaalsContact O-N 3.14Å; C71-I74 WeakPolarHBondContact O-CB 3.39Å; C71-I74 WeakPolarHBondContact O-CG1 3.36Å; C71-I74 PolarHBondContact O-N 3.07Å; C71-R80 WeakPolarHBondContact O-CG 3Å; C71-C83 WeakPolarHBondContact CA-SG 3.28Å; C71-C83 HydrophobicContact CB-CB 3.64Å; C71-C83 WeakPolarHBondContact CB-SG 3.46Å; C71-C83 WeakPolarHBondContact SG-CB 3.31Å; C71-C83 PolarHBondContact SG-O 3.47Å; C71-C83 CovalentContact SG-SG 2.03Å; C71-C83 PolarHBondContact SG-SG 3.46Å; C71-L84 HydrophobicContact CB-CD2 3.66Å; C71-L84 HydrophobicContact CB-CG 3.9Å
72K94.8Very high91.5Very high99 Ų9993.6 Ų93.643%0.4344%0.443SS..THydrogen-bonded Turntrans-61-22.6177.5-74-178.4173.3179.50114Y68 Q69 M70 I74Y68-K72 HydrophobicContact CE1-CD 4.17Å; Y68-K72 PolarHBondContact O-N 2.88Å; Y68-K72 WeakPolarHBondContact OH-CE 2.94Å; Y68-K72 PolarHBondContact OH-NZ 2.89Å; Q69-K72 PolarHBondContact O-N 3.31Å; M70-K72 VanDerWaalsContact C-N 3.26Å; M70-K72 PolarHBondContact O-N 2.97Å; K72-I74 VanDerWaalsContact C-N 3.31Å
73L95.9Very high92Very high140 Ų14090.4 Ų90.473%0.73343%0.428SS*.THydrogen-bonded Turntrans-81.1-12179.5-55.5177.4000112.7M70 C71 P75M70-L73 WeakPolarHBondContact O-CB 3.35Å; M70-L73 PolarHBondContact O-N 2.9Å; C71-L73 PolarHBondContact O-N 2.95Å; C71-L73 VanDerWaalsContact O-N 3.14Å; L73-P75 VanDerWaalsContact O-CD 3.24Å; L73-P75 WeakPolarHBondContact O-CD 3.31Å
74I94.8Very high92.9Very high49 Ų4988.7 Ų88.725%0.25142%0.416SS..  trans-70.3117.2-179.9-60.4175000109.1C71 K72 W79 R80 C83C71-I74 WeakPolarHBondContact O-CB 3.39Å; C71-I74 WeakPolarHBondContact O-CG1 3.36Å; C71-I74 PolarHBondContact O-N 3.07Å; K72-I74 VanDerWaalsContact C-N 3.31Å; I74-W79 HydrophobicContact CG2-CB 3.67Å; I74-R80 HydrophobicContact CB-CB 4.06Å; I74-R80 HydrophobicContact CG2-CB 4.25Å; I74-R80 PolarHBondContact O-NE 3.43Å; I74-R80 PolarHBondContact O-NH2 2.83Å; I74-C83 HydrophobicContact CD1-CB 3.64Å
75P93.5Very high93.3Very high118 Ų11891.9 Ų91.977%0.76643%0.432SS*.  trans-69.1-41.2-174.3-22.334.4000113.2L73 R80L73-P75 VanDerWaalsContact O-CD 3.24Å; L73-P75 WeakPolarHBondContact O-CD 3.31Å; P75-R80 PolarHBondContact O-NH2 3.18Å; P75-R80 VanDerWaalsContact O-NH2 3.07Å
76E96.4Very high93.5Very high89 Ų8987.3 Ų87.342%0.41642%0.418SS..SBendtrans-74.3131.1-178.5-159.9-60.611500109.6H78 W79 R80E76-H78 VanDerWaalsContact CD-N 3.35Å; E76-H78 PolarHBondContact OE1-N 2.78Å; E76-H78 VanDerWaalsContact OE1-N 3.15Å; E76-H78 VanDerWaalsContact OE2-CA 3.31Å; E76-H78 WeakPolarHBondContact OE2-CA 3.48Å; E76-H78 VanDerWaalsContact OE2-CB 3.24Å; E76-H78 WeakPolarHBondContact OE2-CB 3.24Å; E76-H78 PolarHBondContact OE2-N 3.34Å; E76-W79 PolarHBondContact OE2-N 3.41Å; E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.14Å; E76-R80 PolarHBondContact O-N 2.76Å
77R95.9Very high93.6Very high184 Ų18483.1 Ų83.169%0.69439%0.393SS*.Hα-helixtrans-72.5-39.5-166.7-175.4179.2-178.6-174.5-0.9112.4R80 N81R77-R80 PolarHBondContact O-N 3.23Å; R77-N81 WeakPolarHBondContact O-CB 3.31Å; R77-N81 PolarHBondContact O-N 3.3Å; R77-N81 PolarHBondContact O-ND2 3.3Å; R77-N81 PolarHBondContact O-OD1 3.42Å
78H96.8Very high93.7Very high100 Ų10087.3 Ų87.346%0.46341%0.411SS..Hα-helixtrans-63.4-50179.217358.8000110.7E76 R80 N81 E82E76-H78 VanDerWaalsContact CD-N 3.35Å; E76-H78 PolarHBondContact OE1-N 2.78Å; E76-H78 VanDerWaalsContact OE1-N 3.15Å; E76-H78 VanDerWaalsContact OE2-CA 3.31Å; E76-H78 WeakPolarHBondContact OE2-CA 3.48Å; E76-H78 VanDerWaalsContact OE2-CB 3.24Å; E76-H78 WeakPolarHBondContact OE2-CB 3.24Å; E76-H78 PolarHBondContact OE2-N 3.34Å; H78-R80 VanDerWaalsContact C-N 3.34Å; H78-R80 PolarHBondContact O-N 2.92Å; H78-N81 PolarHBondContact O-N 2.99Å; H78-N81 VanDerWaalsContact O-N 3.16Å; H78-E82 IonicContact CE1-OE1 3.59Å; H78-E82 WeakPolarHBondContact O-CG 3.43Å; H78-E82 PolarHBondContact O-N 3.41Å
79W96Very high93.5Very high164 Ų16487.8 Ų87.862%0.62141%0.413SS*.Hα-helixtrans-63.1-37.7176.9-63.4119.9000113.2I74 E76 N81 C83I74-W79 HydrophobicContact CG2-CB 3.67Å; E76-W79 PolarHBondContact OE2-N 3.41Å; W79-N81 VanDerWaalsContact C-N 3.35Å; W79-C83 WeakPolarHBondContact O-CB 3.32Å; W79-C83 PolarHBondContact O-N 3.24Å
80R96.4Very high93Very high86 Ų8684.7 Ų84.733%0.32540%0.399SS..Hα-helixtrans-59.3-47.8173.5-178.8-174.4-53.6163.79.5111C71 I74 P75 E76 R77 H78 C83 L84C71-R80 WeakPolarHBondContact O-CG 3Å; I74-R80 HydrophobicContact CB-CB 4.06Å; I74-R80 HydrophobicContact CG2-CB 4.25Å; I74-R80 PolarHBondContact O-NE 3.43Å; I74-R80 PolarHBondContact O-NH2 2.83Å; P75-R80 PolarHBondContact O-NH2 3.18Å; P75-R80 VanDerWaalsContact O-NH2 3.07Å; E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.14Å; E76-R80 PolarHBondContact O-N 2.76Å; R77-R80 PolarHBondContact O-N 3.23Å; H78-R80 VanDerWaalsContact C-N 3.34Å; H78-R80 PolarHBondContact O-N 2.92Å; R80-C83 PolarHBondContact O-N 2.74Å; R80-L84 HydrophobicContact CG-CD1 3.89Å; R80-L84 HydrophobicContact CG-CG 4.37Å; R80-L84 WeakPolarHBondContact O-CB 3.42Å; R80-L84 VanDerWaalsContact O-CG 3.23Å; R80-L84 WeakPolarHBondContact O-CG 3.41Å; R80-L84 PolarHBondContact O-N 2.89Å
81N96.2Very high92.8Very high70 Ų7080.5 Ų80.537%0.37438%0.381SS..Hα-helixtrans-65.1-46.7-178-71-12.1000111.5R77 H78 W79 C83 L84 D85R77-N81 WeakPolarHBondContact O-CB 3.31Å; R77-N81 PolarHBondContact O-N 3.3Å; R77-N81 PolarHBondContact O-ND2 3.3Å; R77-N81 PolarHBondContact O-OD1 3.42Å; H78-N81 PolarHBondContact O-N 2.99Å; H78-N81 VanDerWaalsContact O-N 3.16Å; W79-N81 VanDerWaalsContact C-N 3.35Å; N81-C83 VanDerWaalsContact C-N 3.3Å; N81-C83 PolarHBondContact O-N 3.06Å; N81-L84 PolarHBondContact O-N 3.3Å; N81-L84 VanDerWaalsContact O-N 3.11Å; N81-D85 PolarHBondContact O-N 3.5Å
82E94Very high92.6Very high90 Ų9087.7 Ų87.742%0.42141%0.408SS..Hα-helixtrans-55.4-45.5175.3-71.4-67153.700111.7H78 D85 I86H78-E82 IonicContact CE1-OE1 3.59Å; H78-E82 WeakPolarHBondContact O-CG 3.43Å; H78-E82 PolarHBondContact O-N 3.41Å; E82-D85 PolarHBondContact O-N 2.91Å; E82-I86 WeakPolarHBondContact O-CG1 2.99Å; E82-I86 PolarHBondContact O-N 3.45Å; E82-I86 VanDerWaalsContact O-N 3.12Å
83C91.7Very high92.1Very high24 Ų2487.7 Ų87.716%0.16241%0.408CS..Hα-helixtrans-62.5-45.3176.1-171.30000112.1C71 I74 W79 R80 N81 D85 I86 T87C71-C83 WeakPolarHBondContact CA-SG 3.28Å; C71-C83 HydrophobicContact CB-CB 3.64Å; C71-C83 WeakPolarHBondContact CB-SG 3.46Å; C71-C83 WeakPolarHBondContact SG-CB 3.31Å; C71-C83 PolarHBondContact SG-O 3.47Å; C71-C83 CovalentContact SG-SG 2.03Å; C71-C83 PolarHBondContact SG-SG 3.46Å; I74-C83 HydrophobicContact CD1-CB 3.64Å; W79-C83 WeakPolarHBondContact O-CB 3.32Å; W79-C83 PolarHBondContact O-N 3.24Å; R80-C83 PolarHBondContact O-N 2.74Å; N81-C83 VanDerWaalsContact C-N 3.3Å; N81-C83 PolarHBondContact O-N 3.06Å; C83-D85 VanDerWaalsContact C-N 3.32Å; C83-D85 PolarHBondContact O-N 3.34Å; C83-I86 WeakPolarHBondContact O-CB 3.37Å; C83-I86 PolarHBondContact O-N 3.04Å; C83-T87 WeakPolarHBondContact O-CG2 3.19Å; C83-T87 PolarHBondContact O-N 2.84Å
84L94.7Very high91.5Very high31 Ų3182.6 Ų82.616%0.16238%0.381CS..Hα-helixtrans-63.5-38.5178-72172.4000111.5Y68 C71 R80 N81 I86 T87 H88Y68-L84 HydrophobicContact CD2-CD2 3.46Å; Y68-L84 VanDerWaalsContact CD2-CD2 3.46Å; Y68-L84 HydrophobicContact CE2-CD2 3.53Å; Y68-L84 HydrophobicContact CG-CD2 4.28Å; C71-L84 HydrophobicContact CB-CD2 3.66Å; C71-L84 HydrophobicContact CB-CG 3.9Å; R80-L84 HydrophobicContact CG-CD1 3.89Å; R80-L84 HydrophobicContact CG-CG 4.37Å; R80-L84 WeakPolarHBondContact O-CB 3.42Å; R80-L84 VanDerWaalsContact O-CG 3.23Å; R80-L84 WeakPolarHBondContact O-CG 3.41Å; R80-L84 PolarHBondContact O-N 2.89Å; N81-L84 PolarHBondContact O-N 3.3Å; N81-L84 VanDerWaalsContact O-N 3.11Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 PolarHBondContact O-N 3.49Å; L84-T87 PolarHBondContact O-N 3.23Å; L84-T87 VanDerWaalsContact O-N 3.16Å; L84-T87 PolarHBondContact O-OG1 2.85Å; L84-H88 PolarHBondContact O-N 3.11Å; L84-H88 PolarHBondContact O-ND1 3.2Å
85D93.4Very high90.9Very high87 Ų8783.5 Ų83.547%0.46538%0.384SS..Hα-helixtrans-61.6-45176.9-71.9-17.8000110.4N81 E82 C83 T87 H88 Y89N81-D85 PolarHBondContact O-N 3.5Å; E82-D85 PolarHBondContact O-N 2.91Å; C83-D85 VanDerWaalsContact C-N 3.32Å; C83-D85 PolarHBondContact O-N 3.34Å; D85-T87 VanDerWaalsContact C-N 3.25Å; D85-T87 PolarHBondContact O-N 3.4Å; D85-H88 PolarHBondContact O-N 3.22Å; D85-H88 VanDerWaalsContact O-N 3.08Å; D85-Y89 HydrophobicContact CB-CE1 4.16Å; D85-Y89 WeakPolarHBondContact O-CD1 3.06Å; D85-Y89 WeakPolarHBondContact O-CE1 3.32Å; D85-Y89 PolarHBondContact O-N 3.11Å
86I90.4Very high90.6Very high63 Ų6381 Ų8132%0.32336%0.362SS..Hα-helixtrans-50.3-47.1173-66.6161.6000111.2L67 E82 C83 L84 H88 Y89 L90L67-I86 HydrophobicContact CD2-CG2 4.06Å; E82-I86 WeakPolarHBondContact O-CG1 2.99Å; E82-I86 PolarHBondContact O-N 3.45Å; E82-I86 VanDerWaalsContact O-N 3.12Å; C83-I86 WeakPolarHBondContact O-CB 3.37Å; C83-I86 PolarHBondContact O-N 3.04Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 PolarHBondContact O-N 3.49Å; I86-H88 PolarHBondContact O-N 2.02Å; I86-Y89 VanDerWaalsContact CA-CE1 3.47Å; I86-Y89 VanDerWaalsContact CA-CZ 3.4Å; I86-Y89 HydrophobicContact CB-CE2 4.42Å; I86-Y89 HydrophobicContact CG1-CE1 4.41Å; I86-Y89 HydrophobicContact CG1-CE2 4.32Å; I86-Y89 WeakPolarHBondContact CG1-OH 3.38Å; I86-Y89 HydrophobicContact CG2-CE2 4.46Å; I86-Y89 PolarHBondContact O-N 3.42Å; I86-L90 HydrophobicContact CG2-CB 4.38Å; I86-L90 WeakPolarHBondContact O-CA 3.41Å; I86-L90 WeakPolarHBondContact O-CB 3.14Å; I86-L90 PolarHBondContact O-N 3.03Å
87T89.7Confident89.9Confident2 Ų281.8 Ų81.81%0.01236%0.364CS..Hα-helixtrans-60.8-31.9-175.468.50000113S64 L67 C83 L84 D85S64-T87 PolarHBondContact OG-O 2.86Å; L67-T87 HydrophobicContact CB-CG2 3.94Å; L67-T87 HydrophobicContact CD2-CG2 3.83Å; L67-T87 HydrophobicContact CG-CG2 3.62Å; C83-T87 WeakPolarHBondContact O-CG2 3.19Å; C83-T87 PolarHBondContact O-N 2.84Å; L84-T87 PolarHBondContact O-N 3.23Å; L84-T87 VanDerWaalsContact O-N 3.16Å; L84-T87 PolarHBondContact O-OG1 2.85Å; D85-T87 VanDerWaalsContact C-N 3.25Å; D85-T87 PolarHBondContact O-N 3.4Å
88H88.1Confident89.3Confident137 Ų13773 Ų7363%0.63433%0.331SS*.Hα-helixtrans-74.6-40.4-178.7-70.486.5000112.5L84 D85 I86L84-H88 PolarHBondContact O-N 3.11Å; L84-H88 PolarHBondContact O-ND1 3.2Å; D85-H88 PolarHBondContact O-N 3.22Å; D85-H88 VanDerWaalsContact O-N 3.08Å; I86-H88 PolarHBondContact O-N 2.02Å
89Y88.8Confident88.7Confident92 Ų9273 Ų7336%0.36134%0.335SS..Hα-helixtrans-95.5-12.7-178.461.5-107.7000114D85 I86 R92 K93D85-Y89 HydrophobicContact CB-CE1 4.16Å; D85-Y89 WeakPolarHBondContact O-CD1 3.06Å; D85-Y89 WeakPolarHBondContact O-CE1 3.32Å; D85-Y89 PolarHBondContact O-N 3.11Å; I86-Y89 VanDerWaalsContact CA-CE1 3.47Å; I86-Y89 VanDerWaalsContact CA-CZ 3.4Å; I86-Y89 HydrophobicContact CB-CE2 4.42Å; I86-Y89 HydrophobicContact CG1-CE1 4.41Å; I86-Y89 HydrophobicContact CG1-CE2 4.32Å; I86-Y89 WeakPolarHBondContact CG1-OH 3.38Å; I86-Y89 HydrophobicContact CG2-CE2 4.46Å; I86-Y89 PolarHBondContact O-N 3.42Å; Y89-R92 PolarHBondContact O-N 2.88Å; Y89-R92 VanDerWaalsContact O-N 3.15Å; Y89-K93 HydrophobicContact CD2-CG 3.64Å; Y89-K93 HydrophobicContact CE2-CG 4.34Å; Y89-K93 PolarHBondContact O-N 3.3Å
90L83.7Confident88.1Confident38 Ų3872.5 Ų72.520%0.19934%0.339CS..Hα-helixtrans-53.5-48.7-177.4176.968.1000112.7T63 L67 I86 R92 K93 I94T63-L90 HydrophobicContact CG2-CD2 4.46Å; L67-L90 HydrophobicContact CD2-CD2 4.07Å; I86-L90 HydrophobicContact CG2-CB 4.38Å; I86-L90 WeakPolarHBondContact O-CA 3.41Å; I86-L90 WeakPolarHBondContact O-CB 3.14Å; I86-L90 PolarHBondContact O-N 3.03Å; L90-R92 VanDerWaalsContact C-N 3.34Å; L90-R92 PolarHBondContact O-N 3.33Å; L90-K93 PolarHBondContact O-N 3.12Å; L90-K93 VanDerWaalsContact O-N 3.16Å; L90-I94 HydrophobicContact CD1-CD1 3.77Å; L90-I94 HydrophobicContact CD1-CG1 4.02Å; L90-I94 HydrophobicContact CD2-CD1 4.48Å; L90-I94 HydrophobicContact CG-CD1 3.8Å; L90-I94 HydrophobicContact CG-CG1 4.41Å; L90-I94 WeakPolarHBondContact O-CG1 3.28Å; L90-I94 PolarHBondContact O-N 2.82Å
91P85.5Confident87.5Confident28 Ų2869.3 Ų69.318%0.18233%0.328CS..Hα-helixtrans-57.8-46.7177.4-26.937000112.7I60 K93 I94 H95I60-P91 HydrophobicContact CG2-CB 3.72Å; I60-P91 HydrophobicContact CG2-CG 4.21Å; P91-K93 VanDerWaalsContact C-N 3.32Å; P91-K93 PolarHBondContact O-N 3.33Å; P91-I94 PolarHBondContact O-N 3.48Å; P91-H95 PolarHBondContact O-CD2 2.8Å; P91-H95 PolarHBondContact O-N 3.17Å
92R87.4Confident87.1Confident151 Ų15170.1 Ų70.157%0.5733%0.332SS*.Hα-helixtrans-61-42.2177.1-171-173.964.7-164.6-7.6111.2Y89 L90 H95 E96Y89-R92 PolarHBondContact O-N 2.88Å; Y89-R92 VanDerWaalsContact O-N 3.15Å; L90-R92 VanDerWaalsContact C-N 3.34Å; L90-R92 PolarHBondContact O-N 3.33Å; R92-H95 PolarHBondContact O-N 3.41Å; R92-E96 WeakPolarHBondContact CD-OE1 3.43Å; R92-E96 HydrophobicContact CG-CG 4.38Å; R92-E96 VanDerWaalsContact CG-OE1 3.31Å; R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact NE-OE1 3.19Å; R92-E96 PolarHBondContact NE-OE1 3.01Å; R92-E96 WeakPolarHBondContact O-CB 3.06Å; R92-E96 VanDerWaalsContact O-CG 3.28Å; R92-E96 WeakPolarHBondContact O-CG 3.42Å; R92-E96 PolarHBondContact O-N 3.49Å
93K85.4Confident86.5Confident99 Ų9966.4 Ų66.443%0.4332%0.316SS..Hα-helixtrans-66.7-36.5178.4-75.5-60.4-179.3-165.10113.3Y89 L90 P91 E96 F97Y89-K93 HydrophobicContact CD2-CG 3.64Å; Y89-K93 HydrophobicContact CE2-CG 4.34Å; Y89-K93 PolarHBondContact O-N 3.3Å; L90-K93 PolarHBondContact O-N 3.12Å; L90-K93 VanDerWaalsContact O-N 3.16Å; P91-K93 VanDerWaalsContact C-N 3.32Å; P91-K93 PolarHBondContact O-N 3.33Å; K93-E96 WeakPolarHBondContact CD-OE2 3.48Å; K93-E96 IonicContact NZ-OE2 2.76Å; K93-E96 PolarHBondContact NZ-OE2 3.27Å; K93-F97 VanDerWaalsContact O-CB 3.29Å; K93-F97 WeakPolarHBondContact O-CB 3.48Å; K93-F97 PolarHBondContact O-N 3.33Å
94I82.3Confident86Confident33 Ų3368.4 Ų68.417%0.16933%0.327CS..Hα-helixtrans-66.5-45.4174.4-70.1168.9000110.2L54 I60 L90 P91 F97 A98L54-I94 HydrophobicContact CB-CG2 3.99Å; L54-I94 HydrophobicContact CD2-CG2 3.7Å; L54-I94 HydrophobicContact CG-CG2 4.25Å; I60-I94 HydrophobicContact CD1-CB 4.4Å; I60-I94 HydrophobicContact CD1-CG2 3.5Å; I60-I94 VanDerWaalsContact CD1-CG2 3.5Å; I60-I94 HydrophobicContact CG1-CD1 4.41Å; I60-I94 HydrophobicContact CG1-CG2 4.02Å; I60-I94 HydrophobicContact CG2-CB 4.38Å; I60-I94 HydrophobicContact CG2-CD1 4.02Å; L90-I94 HydrophobicContact CD1-CD1 3.77Å; L90-I94 HydrophobicContact CD1-CG1 4.02Å; L90-I94 HydrophobicContact CD2-CD1 4.48Å; L90-I94 HydrophobicContact CG-CD1 3.8Å; L90-I94 HydrophobicContact CG-CG1 4.41Å; L90-I94 WeakPolarHBondContact O-CG1 3.28Å; L90-I94 PolarHBondContact O-N 2.82Å; P91-I94 PolarHBondContact O-N 3.48Å; I94-F97 PolarHBondContact O-N 3.33Å; I94-A98 WeakPolarHBondContact O-CB 3.34Å; I94-A98 PolarHBondContact O-N 3.19Å
95H83.6Confident85.3Confident67 Ų6771.1 Ų71.131%0.3134%0.341SS..Hα-helixtrans-64-45.4175.9-69.3-52.9000112L54 P91 R92 F97 A98 D99L54-H95 PolarHBondContact O-ND1 3Å; P91-H95 PolarHBondContact O-CD2 2.8Å; P91-H95 PolarHBondContact O-N 3.17Å; R92-H95 PolarHBondContact O-N 3.41Å; H95-F97 VanDerWaalsContact C-N 3.28Å; H95-F97 PolarHBondContact O-N 2.89Å; H95-A98 PolarHBondContact O-N 3.15Å; H95-A98 VanDerWaalsContact O-N 3.13Å; H95-D99 WeakPolarHBondContact O-CB 3.06Å; H95-D99 VanDerWaalsContact O-CG 3.26Å; H95-D99 PolarHBondContact O-N 3.31Å
96E85.2Confident84.5Confident66 Ų6670.4 Ų70.431%0.30834%0.335SS..Hα-helixtrans-55.1-44.9172.8-76.8171-156.900110.7R92 K93 H100R92-E96 WeakPolarHBondContact CD-OE1 3.43Å; R92-E96 HydrophobicContact CG-CG 4.38Å; R92-E96 VanDerWaalsContact CG-OE1 3.31Å; R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact NE-OE1 3.19Å; R92-E96 PolarHBondContact NE-OE1 3.01Å; R92-E96 WeakPolarHBondContact O-CB 3.06Å; R92-E96 VanDerWaalsContact O-CG 3.28Å; R92-E96 WeakPolarHBondContact O-CG 3.42Å; R92-E96 PolarHBondContact O-N 3.49Å; K93-E96 WeakPolarHBondContact CD-OE2 3.48Å; K93-E96 IonicContact NZ-OE2 2.76Å; K93-E96 PolarHBondContact NZ-OE2 3.27Å; E96-H100 PolarHBondContact O-N 3.48Å; E96-H100 PolarHBondContact O-ND1 3.49Å
97F82Confident83.5Confident106 Ų10667.4 Ų67.447%0.46532%0.32SS..Hα-helixtrans-64-45.1176.4175.9-99.9000112.1L54 K93 I94 H95 D99 H100 I101L54-F97 HydrophobicContact CD1-CD1 3.87Å; L54-F97 HydrophobicContact CD1-CE1 4.01Å; K93-F97 VanDerWaalsContact O-CB 3.29Å; K93-F97 WeakPolarHBondContact O-CB 3.48Å; K93-F97 PolarHBondContact O-N 3.33Å; I94-F97 PolarHBondContact O-N 3.33Å; H95-F97 VanDerWaalsContact C-N 3.28Å; H95-F97 PolarHBondContact O-N 2.89Å; F97-D99 PolarHBondContact O-N 2.99Å; F97-H100 PolarHBondContact O-N 3.46Å; F97-I101 HydrophobicContact CE1-CD1 3.85Å; F97-I101 HydrophobicContact CE1-CG1 4.47Å; F97-I101 HydrophobicContact CZ-CD1 3.78Å; F97-I101 HydrophobicContact CZ-CG1 4.17Å; F97-I101 WeakPolarHBondContact O-CB 3.47Å; F97-I101 PolarHBondContact O-N 3.3Å
98A83.6Confident82.6Confident0 Ų069.3 Ų69.30%033%0.333CS..Hα-helixtrans-62.9-42-179.800000112.3K51 L54 E55 I94 H95 H100 I101K51-A98 WeakPolarHBondContact CE-O 3.35Å; K51-A98 PolarHBondContact NZ-O 3.43Å; K51-A98 VanDerWaalsContact NZ-O 3.17Å; L54-A98 HydrophobicContact CB-CB 3.57Å; E55-A98 HydrophobicContact CG-CB 3.91Å; I94-A98 WeakPolarHBondContact O-CB 3.34Å; I94-A98 PolarHBondContact O-N 3.19Å; H95-A98 PolarHBondContact O-N 3.15Å; H95-A98 VanDerWaalsContact O-N 3.13Å; A98-H100 VanDerWaalsContact C-N 3.3Å; A98-H100 PolarHBondContact O-N 3.46Å; A98-I101 VanDerWaalsContact O-CG2 3.29Å; A98-I101 WeakPolarHBondContact O-CG2 3.41Å
99D84Confident81.8Confident100 Ų10069.3 Ų69.354%0.53533%0.334SS..Hα-helixtrans-60.8-42.4177.6-71.5-20.4000111.1K51 H95 F97K51-D99 PolarHBondContact NZ-O 3.29Å; H95-D99 WeakPolarHBondContact O-CB 3.06Å; H95-D99 VanDerWaalsContact O-CG 3.26Å; H95-D99 PolarHBondContact O-N 3.31Å; F97-D99 PolarHBondContact O-N 2.99Å
100H84.7Confident80.6Confident153 Ų15370 Ų7071%0.70834%0.343SS*.Hα-helixtrans-93.7-8.5-172.7-62.388.6000114.6E96 F97 A98 N102E96-H100 PolarHBondContact O-N 3.48Å; E96-H100 PolarHBondContact O-ND1 3.49Å; F97-H100 PolarHBondContact O-N 3.46Å; A98-H100 VanDerWaalsContact C-N 3.3Å; A98-H100 PolarHBondContact O-N 3.46Å; H100-N102 PolarHBondContact O-N 3.36Å
101I83Confident79.4Confident19 Ų1970.6 Ų70.610%0.09736%0.359CS..  trans-62.5116.5-179.2-164.9178.2000110.3K51 F97 A98 V103 E106K51-I101 HydrophobicContact CB-CG2 3.9Å; K51-I101 HydrophobicContact CD-CG2 3.62Å; K51-I101 HydrophobicContact CG-CG2 3.73Å; F97-I101 HydrophobicContact CE1-CD1 3.85Å; F97-I101 HydrophobicContact CE1-CG1 4.47Å; F97-I101 HydrophobicContact CZ-CD1 3.78Å; F97-I101 HydrophobicContact CZ-CG1 4.17Å; F97-I101 WeakPolarHBondContact O-CB 3.47Å; F97-I101 PolarHBondContact O-N 3.3Å; A98-I101 VanDerWaalsContact O-CG2 3.29Å; A98-I101 WeakPolarHBondContact O-CG2 3.41Å; I101-V103 HydrophobicContact CG2-CG2 4.39Å; I101-V103 PolarHBondContact O-N 3.02Å; I101-E106 HydrophobicContact CD1-CG 4.42Å; I101-E106 HydrophobicContact CG1-CG 3.9Å
102N87.4Confident78.4Confident86 Ų8672.9 Ų72.946%0.4637%0.366SS..  trans-95.486.2171.6-175.8-18.5000108.7H100 T104 L105 E106H100-N102 PolarHBondContact O-N 3.36Å; N102-T104 PolarHBondContact O-N 3.42Å; N102-T104 WeakPolarHBondContact OD1-CB 3.43Å; N102-T104 PolarHBondContact OD1-N 3.24Å; N102-L105 HydrophobicContact CB-CB 3.97Å; N102-L105 WeakPolarHBondContact O-CA 3.47Å; N102-L105 WeakPolarHBondContact O-CB 3.3Å; N102-L105 PolarHBondContact O-N 2.04Å; N102-L105 PolarHBondContact OD1-N 3.46Å; N102-E106 WeakPolarHBondContact O-CG 3.32Å; N102-E106 PolarHBondContact O-N 2.82Å
103V82.2Confident77.3Confident13 Ų1366 Ų668%0.07934%0.341CS..Hα-helixtrans-50.7-34.2-177.3177.40000112.9R44 R48 I101 C107R44-V103 HydrophobicContact CB-CG1 4.37Å; R44-V103 HydrophobicContact CG-CG1 4.43Å; R48-V103 HydrophobicContact CG-CG1 4.45Å; R48-V103 HydrophobicContact CG-CG2 4.4Å; I101-V103 HydrophobicContact CG2-CG2 4.39Å; I101-V103 PolarHBondContact O-N 3.02Å; V103-C107 WeakPolarHBondContact O-CB 3.24Å; V103-C107 PolarHBondContact O-N 3.43Å; V103-C107 PolarHBondContact O-SG 3.05Å
104T80.7Confident76.4Confident66 Ų6667 Ų6741%0.40535%0.346SS..Hα-helixtrans-66.5-45.9177.6-60.80000111.5N102 S108N102-T104 PolarHBondContact O-N 3.42Å; N102-T104 WeakPolarHBondContact OD1-CB 3.43Å; N102-T104 PolarHBondContact OD1-N 3.24Å; T104-S108 PolarHBondContact O-N 2.94Å; T104-S108 VanDerWaalsContact O-N 3.16Å; T104-S108 PolarHBondContact O-OG 3.36Å
105L79.2Confident75.3Confident87 Ų8773.1 Ų73.146%0.45537%0.374SS..Hα-helixtrans-64.8-48.2177.4-18063.2000110.6N102 C107 S108 E109N102-L105 HydrophobicContact CB-CB 3.97Å; N102-L105 WeakPolarHBondContact O-CA 3.47Å; N102-L105 WeakPolarHBondContact O-CB 3.3Å; N102-L105 PolarHBondContact O-N 2.04Å; N102-L105 PolarHBondContact OD1-N 3.46Å; L105-C107 VanDerWaalsContact C-N 3.33Å; L105-C107 PolarHBondContact O-N 3.42Å; L105-S108 CarbonylContact O-C 3.59Å; L105-S108 WeakPolarHBondContact O-CA 3.36Å; L105-S108 WeakPolarHBondContact O-CB 3.44Å; L105-S108 PolarHBondContact O-N 3.22Å; L105-E109 HydrophobicContact CD1-CG 4.25Å; L105-E109 HydrophobicContact CG-CG 4.35Å; L105-E109 PolarHBondContact O-N 3.42Å
106E78.5Confident74Confident72 Ų7278 Ų7834%0.33639%0.394SS..Hα-helixtrans-55.4-47178.6-65.1-63.9160.400111.6I101 N102 S108 E109 L110I101-E106 HydrophobicContact CD1-CG 4.42Å; I101-E106 HydrophobicContact CG1-CG 3.9Å; N102-E106 WeakPolarHBondContact O-CG 3.32Å; N102-E106 PolarHBondContact O-N 2.82Å; E106-S108 PolarHBondContact O-N 3.08Å; E106-E109 PolarHBondContact O-N 2.9Å; E106-L110 WeakPolarHBondContact O-CB 3.26Å; E106-L110 VanDerWaalsContact O-CG 3.28Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 3.47Å
107C69.1Low73Confident1 Ų176.1 Ų76.11%0.00739%0.385CS..Hα-helixtrans-67.1-25.5177.4-67.80000113.7C43 R44 V103 L105 F112 C113C43-C107 HydrophobicContact CB-CB 3.87Å; C43-C107 WeakPolarHBondContact CB-SG 3.27Å; C43-C107 WeakPolarHBondContact SG-CA 3.49Å; C43-C107 WeakPolarHBondContact SG-CB 3.03Å; C43-C107 CovalentContact SG-SG 2.04Å; C43-C107 PolarHBondContact SG-SG 2.84Å; R44-C107 HydrophobicContact CG-CB 4.26Å; R44-C107 PolarHBondContact N-SG 3.32Å; R44-C107 VanDerWaalsContact N-SG 3.35Å; V103-C107 WeakPolarHBondContact O-CB 3.24Å; V103-C107 PolarHBondContact O-N 3.43Å; V103-C107 PolarHBondContact O-SG 3.05Å; L105-C107 VanDerWaalsContact C-N 3.33Å; L105-C107 PolarHBondContact O-N 3.42Å; C107-F112 PolarHBondContact O-N 3.33Å; C107-C113 HydrophobicContact CB-CB 4.28Å; C107-C113 VanDerWaalsContact CB-SG 3.55Å; C107-C113 PolarHBondContact O-N 2.81Å
108S71Confident71.9Confident41 Ų4176.5 Ų76.529%0.28740%0.397SS..Hα-helixtrans-77.9-39.6172.6-79.90000112.5T104 L105 E106 L110 G111 C113T104-S108 PolarHBondContact O-N 2.94Å; T104-S108 VanDerWaalsContact O-N 3.16Å; T104-S108 PolarHBondContact O-OG 3.36Å; L105-S108 CarbonylContact O-C 3.59Å; L105-S108 WeakPolarHBondContact O-CA 3.36Å; L105-S108 WeakPolarHBondContact O-CB 3.44Å; L105-S108 PolarHBondContact O-N 3.22Å; E106-S108 PolarHBondContact O-N 3.08Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 3.22Å; S108-G111 WeakPolarHBondContact O-CA 3.14Å; S108-G111 PolarHBondContact O-N 3.07Å; S108-C113 WeakPolarHBondContact CA-O 3.01Å; S108-C113 WeakPolarHBondContact CB-O 3.02Å; S108-C113 PolarHBondContact OG-O 3.46Å
109E70.1Confident70.9Confident138 Ų13879.2 Ų79.265%0.64541%0.41SS*.Hα-helixtrans-65.7-33.5175-70.2-171.7171.600112.1L105 E106 G111L105-E109 HydrophobicContact CD1-CG 4.25Å; L105-E109 HydrophobicContact CG-CG 4.35Å; L105-E109 PolarHBondContact O-N 3.42Å; E106-E109 PolarHBondContact O-N 2.9Å; E109-G111 PolarHBondContact O-N 3.39Å
110L63.3Low70Confident106 Ų10675.5 Ų75.556%0.55539%0.39SS*.THydrogen-bonded Turntrans-68.9-6.8169.7-69.2171.5000113.6E106 S108 F112E106-L110 WeakPolarHBondContact O-CB 3.26Å; E106-L110 VanDerWaalsContact O-CG 3.28Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 3.47Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 3.22Å; L110-F112 HydrophobicContact CB-CD2 3.67Å; L110-F112 HydrophobicContact CB-CE2 3.82Å; L110-F112 HydrophobicContact CB-CG 4.2Å; L110-F112 HydrophobicContact CB-CZ 4.43Å; L110-F112 HydrophobicContact CD1-CD2 4.07Å; L110-F112 HydrophobicContact CD1-CE2 3.93Å; L110-F112 HydrophobicContact CG-CE2 4.39Å; L110-F112 PolarHBondContact O-N 3.32Å
111G60Low69.4Low51 Ų5170.6 Ų70.653%0.52637%0.373SS..THydrogen-bonded Turntrans76.32.3-178.200000114.5S108 E109S108-G111 WeakPolarHBondContact O-CA 3.14Å; S108-G111 PolarHBondContact O-N 3.07Å; E109-G111 PolarHBondContact O-N 3.39Å
112F63.7Low68.7Low76 Ų7674.1 Ų74.133%0.33339%0.392SS..SBendtrans-77.3-24.8-179.7-58.6-33.7000112.7L39 C40 C43 C107 L110L39-F112 HydrophobicContact CB-CB 4.19Å; L39-F112 HydrophobicContact CB-CD1 4.12Å; L39-F112 HydrophobicContact CB-CG 4.25Å; L39-F112 HydrophobicContact CD1-CD1 4Å; L39-F112 HydrophobicContact CD1-CE1 4.18Å; C40-F112 WeakPolarHBondContact CA-O 3.39Å; C40-F112 WeakPolarHBondContact CB-O 3.48Å; C40-F112 PolarHBondContact N-O 3.28Å; C43-F112 HydrophobicContact CB-CB 4.21Å; C43-F112 HydrophobicContact CB-CD2 3.74Å; C43-F112 HydrophobicContact CB-CG 4.41Å; C107-F112 PolarHBondContact O-N 3.33Å; L110-F112 HydrophobicContact CB-CD2 3.67Å; L110-F112 HydrophobicContact CB-CE2 3.82Å; L110-F112 HydrophobicContact CB-CG 4.2Å; L110-F112 HydrophobicContact CB-CZ 4.43Å; L110-F112 HydrophobicContact CD1-CD2 4.07Å; L110-F112 HydrophobicContact CD1-CE2 3.93Å; L110-F112 HydrophobicContact CG-CE2 4.39Å; L110-F112 PolarHBondContact O-N 3.32Å
113C63.2Low68.1Low6 Ų674.1 Ų74.14%0.04140%0.399CS..  trans-124.6130.1-179.6-65.50000112.6C40 C107 S108C40-C113 WeakPolarHBondContact CA-SG 3.43Å; C40-C113 HydrophobicContact CB-CB 4.07Å; C40-C113 WeakPolarHBondContact CB-SG 3.46Å; C40-C113 WeakPolarHBondContact SG-CB 3.3Å; C40-C113 CovalentContact SG-SG 2.04Å; C40-C113 PolarHBondContact SG-SG 3.04Å; C107-C113 HydrophobicContact CB-CB 4.28Å; C107-C113 VanDerWaalsContact CB-SG 3.55Å; C107-C113 PolarHBondContact O-N 2.81Å; S108-C113 WeakPolarHBondContact CA-O 3.01Å; S108-C113 WeakPolarHBondContact CB-O 3.02Å; S108-C113 PolarHBondContact OG-O 3.46Å
114H67.2Low67.8Low119 Ų11978 Ų7855%0.55142%0.416SS*.  trans-85.2160.6160.8-65.680.2000110.5K116 H117H114-K116 PolarHBondContact O-N 3.04Å; H114-H117 AromaticContact CG-NE2 3.97Å; H114-H117 PolarHBondContact N-CE1 3.05Å; H114-H117 PolarHBondContact N-ND1 2.79Å; H114-H117 AromaticContact ND1-CE1 3.46Å; H114-H117 PolarHBondContact ND1-CE1 3.07Å; H114-H117 AromaticContact ND1-NE2 3.72Å; H114-H117 PolarHBondContact O-N 3.12Å
115H58.6Low67.2Low162 Ų16275.5 Ų75.575%0.7540%0.4SS*.THydrogen-bonded Turntrans-54.2-19.2-178.655.1-81.7000114.8
116K58Low66.8Low170 Ų17075.1 Ų75.174%0.73940%0.401SS*.THydrogen-bonded Turntrans-96.5-6.6179.5-62.1-175.1-177.8176.80114.8H114 T118H114-K116 PolarHBondContact O-N 3.04Å; K116-T118 PolarHBondContact O-N 3.04Å
117H62.7Low66.7Low26 Ų2674.6 Ų74.612%0.1241%0.406CS..PPolyproline II helixtrans-75121.7-174.2-63.1-179.9000109.8H37 C40 R44 H114H37-H117 AromaticContact CD2-CD2 3.46Å; H37-H117 PolarHBondContact CD2-CD2 2.94Å; H37-H117 VanDerWaalsContact CD2-CD2 3.46Å; H37-H117 AromaticContact CD2-CE1 3.36Å; H37-H117 PolarHBondContact CD2-CE1 3.41Å; H37-H117 AromaticContact CD2-CG 3.68Å; H37-H117 AromaticContact CD2-ND1 3.61Å; H37-H117 AromaticContact CD2-NE2 3.31Å; H37-H117 PolarHBondContact CD2-NE2 3.22Å; H37-H117 VanDerWaalsContact CD2-NE2 3.31Å; H37-H117 AromaticContact CE1-CE1 3.42Å; H37-H117 PolarHBondContact CE1-CE1 3.06Å; H37-H117 VanDerWaalsContact CE1-CE1 3.42Å; H37-H117 AromaticContact CE1-NE2 3.42Å; H37-H117 PolarHBondContact CE1-NE2 3.11Å; H37-H117 AromaticContact CG-CE1 3.18Å; H37-H117 AromaticContact CG-CG 3.93Å; H37-H117 AromaticContact CG-ND1 3.4Å; H37-H117 AromaticContact CG-NE2 3.65Å; H37-H117 AromaticContact ND1-CE1 3.24Å; H37-H117 PolarHBondContact ND1-CE1 3.14Å; H37-H117 AromaticContact ND1-ND1 3.9Å; H37-H117 AromaticContact ND1-NE2 3.72Å; H37-H117 AromaticContact NE2-CD2 3.66Å; H37-H117 AromaticContact NE2-CE1 3.51Å; H37-H117 AromaticContact NE2-NE2 3.15Å; H37-H117 PolarHBondContact NE2-NE2 3.34Å; H37-H117 VanDerWaalsContact NE2-NE2 3.15Å; C40-H117 HydrophobicContact CB-CB 4.44Å; C40-H117 VanDerWaalsContact SG-CB 3.57Å; R44-H117 VanDerWaalsContact CZ-O 3.25Å; R44-H117 PolarHBondContact NH1-O 2.03Å; R44-H117 PolarHBondContact NH2-O 2.8Å; H114-H117 AromaticContact CG-NE2 3.97Å; H114-H117 PolarHBondContact N-CE1 3.05Å; H114-H117 PolarHBondContact N-ND1 2.79Å; H114-H117 AromaticContact ND1-CE1 3.46Å; H114-H117 PolarHBondContact ND1-CE1 3.07Å; H114-H117 AromaticContact ND1-NE2 3.72Å; H114-H117 PolarHBondContact O-N 3.12Å
118T60.6Low66.8Low115 Ų11574.6 Ų74.671%0.70641%0.406SS*.PPolyproline II helixtrans-78.3162.4173.251.30000110.5R44 K116R44-T118 VanDerWaalsContact NH1-C 3.3Å; R44-T118 PolarHBondContact NH1-O 3.48Å; K116-T118 PolarHBondContact O-N 3.04Å
119M61.1Low66.6Low56 Ų5675 Ų7528%0.27641%0.405SS..PPolyproline II helixtrans-85.8138.5179.2-164.6-164.2173.400110.3R44 R48R44-M119 HydrophobicContact CB-CG 4.47Å; R48-M119 PolarHBondContact NH1-SD 3.4Å; R48-M119 PolarHBondContact NH2-SD 3.39Å
120L65.9Low66.6Low23 Ų2372.4 Ų72.412%0.1240%0.395CS..PPolyproline II helixtrans-92.7136.4175-55.9175.8000110.8C36 E124 I125 C128C36-L120 HydrophobicContact CB-CD1 4.29Å; L120-E124 HydrophobicContact CB-CB 3.75Å; L120-E124 HydrophobicContact CD2-CB 3.91Å; L120-E124 HydrophobicContact CG-CB 4.33Å; L120-I125 HydrophobicContact CB-CG1 3.78Å; L120-C128 HydrophobicContact CD1-CB 4.09Å
121S71.4Confident67Low49 Ų4970.6 Ų70.634%0.34339%0.386SS..PPolyproline II helixtrans-69.9170.216464.70000111.8S123 E124 I125S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 2.61Å; S121-S123 PolarHBondContact OG-OG 2.69Å; S121-S123 VanDerWaalsContact OG-OG 3.1Å; S121-E124 WeakPolarHBondContact CA-OE2 3.46Å; S121-E124 WeakPolarHBondContact CB-OE2 3.49Å; S121-E124 PolarHBondContact N-OE2 3.2Å; S121-E124 CarbonylContact O-C 3.57Å; S121-E124 PolarHBondContact O-N 2.83Å; S121-E124 VanDerWaalsContact O-N 3.12Å; S121-E124 WeakPolarHBondContact OG-CB 3.41Å; S121-E124 VanDerWaalsContact OG-CD 3.3Å; S121-E124 VanDerWaalsContact OG-CG 3.26Å; S121-E124 WeakPolarHBondContact OG-CG 3.44Å; S121-E124 PolarHBondContact OG-N 3.43Å; S121-E124 PolarHBondContact OG-OE2 2.82Å; S121-I125 WeakPolarHBondContact O-CG1 3.49Å; S121-I125 PolarHBondContact O-N 3.24Å
122N69.6Low67.4Low93 Ų9369 Ų6950%0.49737%0.365SS..Hα-helixtrans-59.4-39.6179.5-70.9-11.9000112.8I125 T126N122-I125 PolarHBondContact O-N 3.1Å; N122-T126 PolarHBondContact O-N 3.1Å; N122-T126 PolarHBondContact O-OG1 2.99Å
123S73.5Confident67.6Low87 Ų8768.4 Ų68.461%0.60836%0.364SS*.Hα-helixtrans-66-41.717543.30000111.3S121 T126 S127S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 2.61Å; S121-S123 PolarHBondContact OG-OG 2.69Å; S121-S123 VanDerWaalsContact OG-OG 3.1Å; S123-T126 PolarHBondContact O-N 2.99Å; S123-S127 WeakPolarHBondContact O-CB 3.48Å; S123-S127 PolarHBondContact O-N 3.44Å
124E76.2Confident67.8Low93 Ų9372.8 Ų72.844%0.43539%0.387SS..Hα-helixtrans-67.3-36176.9-71.6166.5126.700112.1L120 S121 C128L120-E124 HydrophobicContact CB-CB 3.75Å; L120-E124 HydrophobicContact CD2-CB 3.91Å; L120-E124 HydrophobicContact CG-CB 4.33Å; S121-E124 WeakPolarHBondContact CA-OE2 3.46Å; S121-E124 WeakPolarHBondContact CB-OE2 3.49Å; S121-E124 PolarHBondContact N-OE2 3.2Å; S121-E124 CarbonylContact O-C 3.57Å; S121-E124 PolarHBondContact O-N 2.83Å; S121-E124 VanDerWaalsContact O-N 3.12Å; S121-E124 WeakPolarHBondContact OG-CB 3.41Å; S121-E124 VanDerWaalsContact OG-CD 3.3Å; S121-E124 VanDerWaalsContact OG-CG 3.26Å; S121-E124 WeakPolarHBondContact OG-CG 3.44Å; S121-E124 PolarHBondContact OG-N 3.43Å; S121-E124 PolarHBondContact OG-OE2 2.82Å; E124-C128 WeakPolarHBondContact O-CB 3.35Å; E124-C128 PolarHBondContact O-N 3.3Å
125I68.8Low67.9Low14 Ų1467.8 Ų67.87%0.07236%0.363CS..Hα-helixtrans-63.2-46.3172.8-68.9168.1000110.1L42 R45 L120 S121 N122 C128 I129L42-I125 HydrophobicContact CD2-CG2 4.13Å; R45-I125 HydrophobicContact CB-CD1 4.15Å; R45-I125 HydrophobicContact CG-CD1 4.23Å; L120-I125 HydrophobicContact CB-CG1 3.78Å; S121-I125 WeakPolarHBondContact O-CG1 3.49Å; S121-I125 PolarHBondContact O-N 3.24Å; N122-I125 PolarHBondContact O-N 3.1Å; I125-C128 WeakPolarHBondContact O-CB 3.3Å; I125-C128 PolarHBondContact O-N 3.43Å; I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 HydrophobicContact CG2-CG1 4.36Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.07Å; I125-I129 PolarHBondContact O-N 3.42Å
126T71.3Confident68.2Low79 Ų7961.5 Ų61.549%0.48534%0.343SS..Hα-helixtrans-63.1-45.6-179.9-54.30000111N122 S123 C128 I129 N130N122-T126 PolarHBondContact O-N 3.1Å; N122-T126 PolarHBondContact O-OG1 2.99Å; S123-T126 PolarHBondContact O-N 2.99Å; T126-C128 VanDerWaalsContact C-N 3.32Å; T126-C128 PolarHBondContact O-N 3.32Å; T126-I129 PolarHBondContact O-N 3.33Å; T126-N130 PolarHBondContact O-N 3.14Å; T126-N130 PolarHBondContact O-ND2 3.31Å
127S75.2Confident68.5Low61 Ų6155.5 Ų55.543%0.42732%0.318SS..Hα-helixtrans-57.3-47.6173.4-165.90000110.8S123 I129 N130 D131S123-S127 WeakPolarHBondContact O-CB 3.48Å; S123-S127 PolarHBondContact O-N 3.44Å; S127-I129 PolarHBondContact O-N 3.41Å; S127-N130 WeakPolarHBondContact O-CB 3.46Å; S127-N130 PolarHBondContact O-N 3.07Å; S127-N130 VanDerWaalsContact O-N 3.11Å; S127-D131 VanDerWaalsContact O-CG 3.23Å; S127-D131 PolarHBondContact O-N 2.78Å
128C70.4Confident68.7Low1 Ų156.3 Ų56.31%0.00733%0.327CS..Hα-helixtrans-60.8-43.3-179.9-1730000112.4C36 L38 L120 E124 I125 T126 N130 D131 H132C36-C128 HydrophobicContact CB-CB 3.77Å; C36-C128 WeakPolarHBondContact CB-SG 3.44Å; C36-C128 WeakPolarHBondContact SG-CA 3.4Å; C36-C128 WeakPolarHBondContact SG-CB 3.33Å; C36-C128 CovalentContact SG-SG 2.02Å; C36-C128 PolarHBondContact SG-SG 3.35Å; L38-C128 HydrophobicContact CD1-CB 4.3Å; L120-C128 HydrophobicContact CD1-CB 4.09Å; E124-C128 WeakPolarHBondContact O-CB 3.35Å; E124-C128 PolarHBondContact O-N 3.3Å; I125-C128 WeakPolarHBondContact O-CB 3.3Å; I125-C128 PolarHBondContact O-N 3.43Å; T126-C128 VanDerWaalsContact C-N 3.32Å; T126-C128 PolarHBondContact O-N 3.32Å; C128-N130 VanDerWaalsContact C-N 3.31Å; C128-N130 PolarHBondContact O-N 2.82Å; C128-D131 PolarHBondContact O-N 3.2Å; C128-H132 PolarHBondContact O-CD2 2.94Å; C128-H132 PolarHBondContact O-N 3.03Å
129I68.2Low68.9Low51 Ų5150.9 Ų50.926%0.26229%0.294SS..Hα-helixtrans-59.1-45.6174.8-70.5167.1000110.4L38 I125 T126 S127 D131 H132 I133L38-I129 HydrophobicContact CD1-CG1 3.65Å; L38-I129 HydrophobicContact CD2-CG1 4.15Å; I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 HydrophobicContact CG2-CG1 4.36Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.07Å; I125-I129 PolarHBondContact O-N 3.42Å; T126-I129 PolarHBondContact O-N 3.33Å; S127-I129 PolarHBondContact O-N 3.41Å; I129-D131 PolarHBondContact O-N 3.35Å; I129-H132 PolarHBondContact O-N 3.26Å; I129-I133 HydrophobicContact CG2-CD1 3.72Å; I129-I133 HydrophobicContact CG2-CG1 4.37Å; I129-I133 VanDerWaalsContact O-CG1 3.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 2.04Å
130N70.2Confident68.9Low82 Ų8249.2 Ų49.244%0.43929%0.289SS..Hα-helixtrans-63.3-41.7178.8-69.2-22.5000111.9T126 S127 C128 H132 I133 N134T126-N130 PolarHBondContact O-N 3.14Å; T126-N130 PolarHBondContact O-ND2 3.31Å; S127-N130 WeakPolarHBondContact O-CB 3.46Å; S127-N130 PolarHBondContact O-N 3.07Å; S127-N130 VanDerWaalsContact O-N 3.11Å; C128-N130 VanDerWaalsContact C-N 3.31Å; C128-N130 PolarHBondContact O-N 2.82Å; N130-H132 VanDerWaalsContact C-N 3.34Å; N130-H132 PolarHBondContact O-N 2.89Å; N130-I133 PolarHBondContact O-N 2.81Å; N130-N134 WeakPolarHBondContact O-CB 3.23Å; N130-N134 VanDerWaalsContact O-CG 3.28Å; N130-N134 PolarHBondContact O-N 3.49Å; N130-N134 PolarHBondContact O-ND2 3.01Å
131D71Confident68.9Low68 Ų6853.3 Ų53.336%0.36431%0.311SS..Hα-helixtrans-61-44.5176.6-63.2-21.8000110.9P34 S127 C128 I129 N134 Y135P34-D131 HydrophobicContact CB-CB 3.97Å; P34-D131 HydrophobicContact CG-CB 4.12Å; S127-D131 VanDerWaalsContact O-CG 3.23Å; S127-D131 PolarHBondContact O-N 2.78Å; C128-D131 PolarHBondContact O-N 3.2Å; I129-D131 PolarHBondContact O-N 3.35Å; D131-N134 PolarHBondContact O-N 3.34Å; D131-Y135 VanDerWaalsContact O-CB 3.26Å; D131-Y135 WeakPolarHBondContact O-CB 3.37Å; D131-Y135 PolarHBondContact O-N 3Å
132H68.5Low68.7Low19 Ų1952.9 Ų52.99%0.08831%0.308CS..Hα-helixtrans-66.1-36.5175.9-83.7-80.2000113.1S16 P34 C36 L38 C128 I129 N130 G136S16-H132 WeakPolarHBondContact CB-ND1 3.34Å; P34-H132 HydrophobicContact CG-CB 4.48Å; C36-H132 PolarHBondContact O-NE2 2.99Å; C36-H132 VanDerWaalsContact O-NE2 3.11Å; L38-H132 HydrophobicContact CD2-CB 4.12Å; C128-H132 PolarHBondContact O-CD2 2.94Å; C128-H132 PolarHBondContact O-N 3.03Å; I129-H132 PolarHBondContact O-N 3.26Å; N130-H132 VanDerWaalsContact C-N 3.34Å; N130-H132 PolarHBondContact O-N 2.89Å; H132-G136 PolarHBondContact O-N 3.08Å
133I67.2Low68.6Low62 Ų6253.6 Ų53.632%0.31832%0.318SS..Hα-helixtrans-63.9-49.5173.6-72.1167.3000110.4I12 I129 N130 Y135 G136 L137I12-I133 HydrophobicContact CG2-CG1 4.47Å; I129-I133 HydrophobicContact CG2-CD1 3.72Å; I129-I133 HydrophobicContact CG2-CG1 4.37Å; I129-I133 VanDerWaalsContact O-CG1 3.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 2.04Å; N130-I133 PolarHBondContact O-N 2.81Å; I133-Y135 VanDerWaalsContact C-N 3.3Å; I133-Y135 PolarHBondContact O-N 2.91Å; I133-G136 PolarHBondContact O-N 3.15Å; I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 HydrophobicContact CG2-CG 4.35Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.14Å
134N69Low68.3Low98 Ų9856.2 Ų56.252%0.52432%0.318SS..Hα-helixtrans-62.9-39.7179.9-70.3-28000111.5N130 D131 L137 S138N130-N134 WeakPolarHBondContact O-CB 3.23Å; N130-N134 VanDerWaalsContact O-CG 3.28Å; N130-N134 PolarHBondContact O-N 3.49Å; N130-N134 PolarHBondContact O-ND2 3.01Å; D131-N134 PolarHBondContact O-N 3.34Å; N134-L137 PolarHBondContact O-N 3.31Å; N134-S138 WeakPolarHBondContact O-CB 3.45Å; N134-S138 PolarHBondContact O-N 2.82Å; N134-S138 PolarHBondContact O-OG 2.94Å
135Y68.6Low67.6Low14 Ų1453.6 Ų53.66%0.05530%0.304CS..Hα-helixtrans-61.8-47.1172.8-175.6-111.5000111.6F20 L31 R33 P34 D131 I133 L137 S138 L139F20-Y135 HydrophobicContact CD1-CE1 4.2Å; F20-Y135 HydrophobicContact CD2-CE1 4.33Å; F20-Y135 AromaticContact CE1-CE1 3.98Å; F20-Y135 HydrophobicContact CE1-CE1 3.98Å; F20-Y135 HydrophobicContact CE2-CE1 4.1Å; F20-Y135 HydrophobicContact CG-CE1 4.39Å; F20-Y135 AromaticContact CZ-CE1 3.94Å; F20-Y135 HydrophobicContact CZ-CE1 3.94Å; L31-Y135 HydrophobicContact CB-CE2 4.04Å; L31-Y135 HydrophobicContact CD2-CD2 4.02Å; L31-Y135 HydrophobicContact CD2-CE2 3.84Å; L31-Y135 HydrophobicContact CG-CD2 4.39Å; L31-Y135 HydrophobicContact CG-CE2 4.3Å; R33-Y135 HydrophobicContact CB-CE2 4.34Å; P34-Y135 HydrophobicContact CG-CD1 4.45Å; P34-Y135 HydrophobicContact CG-CG 4.12Å; D131-Y135 VanDerWaalsContact O-CB 3.26Å; D131-Y135 WeakPolarHBondContact O-CB 3.37Å; D131-Y135 PolarHBondContact O-N 3Å; I133-Y135 VanDerWaalsContact C-N 3.3Å; I133-Y135 PolarHBondContact O-N 2.91Å; Y135-L137 PolarHBondContact O-N 2.78Å; Y135-S138 WeakPolarHBondContact CA-OG 3.42Å; Y135-S138 PolarHBondContact O-N 3.31Å; Y135-S138 PolarHBondContact O-OG 3.16Å; Y135-L139 HydrophobicContact CD1-CD1 3.72Å; Y135-L139 HydrophobicContact CE1-CD1 3.34Å; Y135-L139 HydrophobicContact CE1-CG 4.37Å; Y135-L139 HydrophobicContact CE2-CD1 4.25Å; Y135-L139 HydrophobicContact CE2-CG 4.49Å; Y135-L139 HydrophobicContact CG-CD1 4.31Å; Y135-L139 VanDerWaalsContact O-CG 3.32Å; Y135-L139 WeakPolarHBondContact O-CG 3.08Å; Y135-L139 PolarHBondContact O-N 3.33Å
136G64.6Low67.3Low31 Ų3155.5 Ų55.532%0.3231%0.312SS..Hα-helixtrans-59.8-42.9175.200000113.4H132 I133 L139 A140H132-G136 PolarHBondContact O-N 3.08Å; I133-G136 PolarHBondContact O-N 3.15Å; G136-L139 PolarHBondContact O-N 2.95Å; G136-A140 WeakPolarHBondContact O-CB 3.39Å; G136-A140 PolarHBondContact O-N 2.78Å
137L65.1Low67Low43 Ų4358.2 Ų58.223%0.22532%0.319CS..Hα-helixtrans-65.2-44.6177.6-72.5172.8000112I133 N134 Y135 L139 A140 N141 L176I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 HydrophobicContact CG2-CG 4.35Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.14Å; N134-L137 PolarHBondContact O-N 3.31Å; Y135-L137 PolarHBondContact O-N 2.78Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 3.27Å; L137-A140 PolarHBondContact O-N 3.46Å; L137-N141 PolarHBondContact O-N 3.45Å; L137-N141 PolarHBondContact O-ND2 3.33Å; L137-L176 HydrophobicContact CD2-CD2 4.34Å
138S67Low66.6Low43 Ų4357.1 Ų57.130%0.30131%0.31SS..Hα-helixtrans-63.9-35.5177.557.90000112.2L31 N134 Y135L31-S138 WeakPolarHBondContact CD2-OG 3.42Å; N134-S138 WeakPolarHBondContact O-CB 3.45Å; N134-S138 PolarHBondContact O-N 2.82Å; N134-S138 PolarHBondContact O-OG 2.94Å; Y135-S138 WeakPolarHBondContact CA-OG 3.42Å; Y135-S138 PolarHBondContact O-N 3.31Å; Y135-S138 PolarHBondContact O-OG 3.16Å
139L63.2Low66.3Low1 Ų158.1 Ų58.11%0.00532%0.315CS..Hα-helixtrans-69.6-41.8171.7-71.2170.3000113F20 L31 Y135 G136 L137 N141 S142 Y145 I149F20-L139 HydrophobicContact CD1-CD1 4.48Å; F20-L139 HydrophobicContact CE1-CD1 3.34Å; F20-L139 HydrophobicContact CE2-CD1 4.38Å; F20-L139 HydrophobicContact CZ-CD1 3.28Å; L31-L139 HydrophobicContact CD2-CD2 3.52Å; L31-L139 HydrophobicContact CD2-CG 3.61Å; Y135-L139 HydrophobicContact CD1-CD1 3.72Å; Y135-L139 HydrophobicContact CE1-CD1 3.34Å; Y135-L139 HydrophobicContact CE1-CG 4.37Å; Y135-L139 HydrophobicContact CE2-CD1 4.25Å; Y135-L139 HydrophobicContact CE2-CG 4.49Å; Y135-L139 HydrophobicContact CG-CD1 4.31Å; Y135-L139 VanDerWaalsContact O-CG 3.32Å; Y135-L139 WeakPolarHBondContact O-CG 3.08Å; Y135-L139 PolarHBondContact O-N 3.33Å; G136-L139 PolarHBondContact O-N 2.95Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 3.27Å; L139-N141 PolarHBondContact O-N 2.85Å; L139-S142 WeakPolarHBondContact O-CB 3.4Å; L139-S142 PolarHBondContact O-N 3.41Å; L139-Y145 HydrophobicContact CD2-CD1 3.58Å; L139-Y145 HydrophobicContact CD2-CD2 3.96Å; L139-Y145 HydrophobicContact CD2-CE1 3.93Å; L139-Y145 HydrophobicContact CD2-CE2 4.29Å; L139-Y145 HydrophobicContact CD2-CG 3.57Å; L139-I149 HydrophobicContact CB-CD1 3.85Å; L139-I149 HydrophobicContact CD1-CD1 3.91Å; L139-I149 HydrophobicContact CG-CD1 4.37Å
140A62.1Low66.1Low21 Ų2156 Ų5617%0.17430%0.304CS..Hα-helixtrans-62.4-31.5178.300000112.4G136 L137 S142 I172G136-A140 WeakPolarHBondContact O-CB 3.39Å; G136-A140 PolarHBondContact O-N 2.78Å; L137-A140 PolarHBondContact O-N 3.46Å; A140-S142 PolarHBondContact O-N 3.47Å; A140-I172 HydrophobicContact CB-CG2 4.31Å
141N65.3Low66Low110 Ų11057.6 Ų57.659%0.58831%0.307SS*.THydrogen-bonded Turntrans-74.6-8.7173.6-71.4-29.1000113.5L137 L139L137-N141 PolarHBondContact O-N 3.45Å; L137-N141 PolarHBondContact O-ND2 3.33Å; L139-N141 PolarHBondContact O-N 2.85Å
142S67.7Low65.4Low39 Ų3956.2 Ų56.227%0.27330%0.3SS..SBendtrans-97114.4173.3-176.20000110.9L139 A140 K144 Y145 K146L139-S142 WeakPolarHBondContact O-CB 3.4Å; L139-S142 PolarHBondContact O-N 3.41Å; A140-S142 PolarHBondContact O-N 3.47Å; S142-K144 PolarHBondContact O-N 2.63Å; S142-K144 VanDerWaalsContact O-N 3.13Å; S142-Y145 PolarHBondContact O-N 3.22Å; S142-Y145 WeakPolarHBondContact OG-CD2 3.32Å; S142-K146 PolarHBondContact O-N 3.23Å
143P67.4Low65.1Low108 Ų10856.3 Ų56.370%0.70130%0.301SS*.Hα-helixtrans-54.1-39.7-175.3-27.233.8000113.7E147P143-E147 PolarHBondContact O-N 3.26Å
144K66.5Low65Low143 Ų14353.3 Ų53.362%0.62229%0.286SS*.Hα-helixtrans-66-38.5-179.9-173.7-176.8177.5-173.40112.6S142 T148S142-K144 PolarHBondContact O-N 2.63Å; S142-K144 VanDerWaalsContact O-N 3.13Å; K144-T148 PolarHBondContact O-N 3.46Å; K144-T148 PolarHBondContact O-OG1 2.91Å
145Y61.7Low64.9Low37 Ų3751.7 Ų51.715%0.14528%0.279CS..Hα-helixtrans-80.9-39.9-179.1-78.4-80.1000111.7I26 L139 S142 E147 T148 I149I26-Y145 HydrophobicContact CG2-CE1 3.85Å; I26-Y145 WeakPolarHBondContact CG2-OH 3.28Å; I26-Y145 PolarHBondContact O-OH 3.24Å; L139-Y145 HydrophobicContact CD2-CD1 3.58Å; L139-Y145 HydrophobicContact CD2-CD2 3.96Å; L139-Y145 HydrophobicContact CD2-CE1 3.93Å; L139-Y145 HydrophobicContact CD2-CE2 4.29Å; L139-Y145 HydrophobicContact CD2-CG 3.57Å; S142-Y145 PolarHBondContact O-N 3.22Å; S142-Y145 WeakPolarHBondContact OG-CD2 3.32Å; Y145-E147 VanDerWaalsContact C-N 3.28Å; Y145-E147 PolarHBondContact O-N 3.16Å; Y145-T148 PolarHBondContact O-N 3.11Å; Y145-I149 WeakPolarHBondContact O-CB 3.42Å; Y145-I149 VanDerWaalsContact O-CG1 3.27Å; Y145-I149 WeakPolarHBondContact O-CG1 3.41Å; Y145-I149 PolarHBondContact O-N 2.83Å
146K62.5Low64.2Low55 Ų5557.2 Ų57.224%0.23931%0.305CS..Hα-helixtrans-51.3-50174.9-175.5-176.8170.3-162.10110.7S142 I150 E169S142-K146 PolarHBondContact O-N 3.23Å; K146-I150 HydrophobicContact CD-CD1 4.49Å; K146-I150 HydrophobicContact CG-CD1 3.68Å; K146-I150 WeakPolarHBondContact O-CB 3.23Å; K146-I150 WeakPolarHBondContact O-CD1 3.48Å; K146-I150 WeakPolarHBondContact O-CG1 3.46Å; K146-I150 PolarHBondContact O-N 3.02Å; K146-I150 VanDerWaalsContact O-N 3.16Å; K146-E169 WeakPolarHBondContact CE-OE1 2.9Å; K146-E169 IonicContact NZ-OE1 2.75Å; K146-E169 PolarHBondContact NZ-OE1 3.07Å
147E66.5Low63.6Low135 Ų13561.7 Ų61.763%0.63132%0.318SS*.Hα-helixtrans-65-46.8-179.7-166.3-178.116800112.4P143 Y145 K151P143-E147 PolarHBondContact O-N 3.26Å; Y145-E147 VanDerWaalsContact C-N 3.28Å; Y145-E147 PolarHBondContact O-N 3.16Å; E147-K151 WeakPolarHBondContact O-CB 3.18Å; E147-K151 PolarHBondContact O-N 3.3Å
148T65.7Low63.1Low38 Ų3861 Ų6123%0.23332%0.318CS..Hα-helixtrans-63-47-178.6-55.50000112.2E23 K144 Y145 K151 N152E23-T148 WeakPolarHBondContact OE1-CG2 3.08Å; K144-T148 PolarHBondContact O-N 3.46Å; K144-T148 PolarHBondContact O-OG1 2.91Å; Y145-T148 PolarHBondContact O-N 3.11Å; T148-K151 PolarHBondContact O-N 3.49Å; T148-N152 WeakPolarHBondContact O-CB 3.36Å; T148-N152 VanDerWaalsContact O-CG 3.3Å; T148-N152 PolarHBondContact O-N 2.85Å
149I64.4Low63Low22 Ų2264.6 Ų64.611%0.11335%0.35CS..Hα-helixtrans-63.7-51-178.6-69.5166.3000110.3V15 F20 L139 Y145 K151 N152 I153V15-I149 HydrophobicContact CG1-CG2 4.02Å; F20-I149 HydrophobicContact CE1-CD1 3.95Å; F20-I149 HydrophobicContact CE1-CG1 4.25Å; F20-I149 HydrophobicContact CZ-CD1 3.9Å; F20-I149 HydrophobicContact CZ-CG1 4.37Å; L139-I149 HydrophobicContact CB-CD1 3.85Å; L139-I149 HydrophobicContact CD1-CD1 3.91Å; L139-I149 HydrophobicContact CG-CD1 4.37Å; Y145-I149 WeakPolarHBondContact O-CB 3.42Å; Y145-I149 VanDerWaalsContact O-CG1 3.27Å; Y145-I149 WeakPolarHBondContact O-CG1 3.41Å; Y145-I149 PolarHBondContact O-N 2.83Å; I149-K151 PolarHBondContact O-N 3.34Å; I149-N152 PolarHBondContact O-N 3.41Å; I149-I153 HydrophobicContact CG2-CD1 3.65Å; I149-I153 HydrophobicContact CG2-CG1 4.35Å; I149-I153 WeakPolarHBondContact O-CD1 3.4Å; I149-I153 WeakPolarHBondContact O-CG1 3.07Å; I149-I153 PolarHBondContact O-N 3.36Å
150I64.6Low63.6Low6 Ų668.9 Ų68.93%0.03137%0.373CS..Hα-helixtrans-60.6-40.9-179.9-58.5171.3000109.8K146 I153 C154 F165 I168 E169 I172K146-I150 HydrophobicContact CD-CD1 4.49Å; K146-I150 HydrophobicContact CG-CD1 3.68Å; K146-I150 WeakPolarHBondContact O-CB 3.23Å; K146-I150 WeakPolarHBondContact O-CD1 3.48Å; K146-I150 WeakPolarHBondContact O-CG1 3.46Å; K146-I150 PolarHBondContact O-N 3.02Å; K146-I150 VanDerWaalsContact O-N 3.16Å; I150-I153 PolarHBondContact O-N 3.2Å; I150-C154 WeakPolarHBondContact O-CB 3.33Å; I150-C154 PolarHBondContact O-N 3.04Å; I150-C154 PolarHBondContact O-SG 2.74Å; I150-F165 HydrophobicContact CB-CD1 4.04Å; I150-F165 HydrophobicContact CB-CE1 4.05Å; I150-F165 HydrophobicContact CG2-CB 4.5Å; I150-F165 HydrophobicContact CG2-CD1 3.22Å; I150-F165 HydrophobicContact CG2-CE1 3.66Å; I150-F165 HydrophobicContact CG2-CG 4.1Å; I150-I168 HydrophobicContact CB-CG2 4.42Å; I150-I168 HydrophobicContact CD1-CG2 4.11Å; I150-I168 HydrophobicContact CG1-CG2 3.72Å; I150-I168 HydrophobicContact CG2-CB 3.94Å; I150-I168 HydrophobicContact CG2-CD1 4.13Å; I150-I168 HydrophobicContact CG2-CG2 3.95Å; I150-E169 HydrophobicContact CD1-CG 4.16Å; I150-I172 HydrophobicContact CD1-CD1 3.75Å; I150-I172 HydrophobicContact CG1-CD1 4.07Å
151K66.7Low64.3Low116 Ų11672.8 Ų72.850%0.50439%0.386SS..Hα-helixtrans-62.8-44.3176.9-178174.8-179.6-178.50112.9E147 T148 I149 T155 F165E147-K151 WeakPolarHBondContact O-CB 3.18Å; E147-K151 PolarHBondContact O-N 3.3Å; T148-K151 PolarHBondContact O-N 3.49Å; I149-K151 PolarHBondContact O-N 3.34Å; K151-T155 WeakPolarHBondContact O-CB 3.31Å; K151-T155 PolarHBondContact O-N 3.01Å; K151-T155 PolarHBondContact O-OG1 3.16Å; K151-F165 HydrophobicContact CB-CE1 3.88Å; K151-F165 HydrophobicContact CB-CZ 3.66Å; K151-F165 HydrophobicContact CG-CZ 3.97Å
152N60.1Low64.8Low40 Ų4073.6 Ų73.621%0.21439%0.386CS..Hα-helixtrans-66.3-43.7179.5-75.6-12000111.2T19 E23 T148 I149 T155 H156T19-N152 HydrophobicContact CG2-CB 3.34Å; E23-N152 PolarHBondContact OE1-ND2 3.33Å; T148-N152 WeakPolarHBondContact O-CB 3.36Å; T148-N152 VanDerWaalsContact O-CG 3.3Å; T148-N152 PolarHBondContact O-N 2.85Å; I149-N152 PolarHBondContact O-N 3.41Å; N152-T155 PolarHBondContact O-N 3.15Å; N152-H156 PolarHBondContact O-N 3.46Å; N152-H156 VanDerWaalsContact O-N 3.17Å; N152-H156 PolarHBondContact O-ND1 3.25Å
153I62.2Low65Low20 Ų2078 Ų7810%0.10340%0.401CS..Hα-helixtrans-58.1-54.6174.5-63161.3000110.3V15 T19 I149 I150 T155 H156 H157 I168V15-I153 HydrophobicContact CG1-CD1 4.45Å; V15-I153 HydrophobicContact CG2-CD1 3.28Å; V15-I153 HydrophobicContact CG2-CG1 3.76Å; T19-I153 HydrophobicContact CG2-CG1 4.2Å; I149-I153 HydrophobicContact CG2-CD1 3.65Å; I149-I153 HydrophobicContact CG2-CG1 4.35Å; I149-I153 WeakPolarHBondContact O-CD1 3.4Å; I149-I153 WeakPolarHBondContact O-CG1 3.07Å; I149-I153 PolarHBondContact O-N 3.36Å; I150-I153 PolarHBondContact O-N 3.2Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 3.41Å; I153-H156 PolarHBondContact O-N 2.96Å; I153-H157 WeakPolarHBondContact O-CB 3.48Å; I153-H157 PolarHBondContact O-CD2 3.1Å; I153-H157 PolarHBondContact O-N 3.29Å; I153-I168 HydrophobicContact CB-CD1 4.12Å; I153-I168 HydrophobicContact CD1-CD1 4.22Å; I153-I168 HydrophobicContact CG2-CD1 3.64Å
154C65Low65.1Low0 Ų073.8 Ų73.80%037%0.373CS..Hα-helixtrans-68.3-30-175.4-66.60000112.8I150 A158 C164 F165I150-C154 WeakPolarHBondContact O-CB 3.33Å; I150-C154 PolarHBondContact O-N 3.04Å; I150-C154 PolarHBondContact O-SG 2.74Å; C154-A158 WeakPolarHBondContact O-CB 3.13Å; C154-A158 PolarHBondContact O-N 2.92Å; C154-C164 WeakPolarHBondContact CA-SG 3.46Å; C154-C164 HydrophobicContact CB-CB 3.71Å; C154-C164 WeakPolarHBondContact CB-SG 3.49Å; C154-C164 WeakPolarHBondContact SG-CB 3.39Å; C154-C164 CovalentContact SG-SG 2.04Å; C154-C164 PolarHBondContact SG-SG 2.99Å; C154-F165 HydrophobicContact CB-CD2 4.35Å; C154-F165 HydrophobicContact CB-CE2 4.2Å; C154-F165 HydrophobicContact CB-CZ 4.5Å; C154-F165 PolarHBondContact SG-N 3.37Å; C154-F165 VanDerWaalsContact SG-N 3.41Å
155T65.2Low65.4Low63 Ų6370.1 Ų70.139%0.38736%0.357SS..Hα-helixtrans-69.8-36.8176.8-61.30000112.2K151 N152 I153K151-T155 WeakPolarHBondContact O-CB 3.31Å; K151-T155 PolarHBondContact O-N 3.01Å; K151-T155 PolarHBondContact O-OG1 3.16Å; N152-T155 PolarHBondContact O-N 3.15Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 3.41Å
156H54.6Low66Low130 Ų13073.6 Ų73.660%0.60238%0.375SS*.Hα-helixtrans-89.1-31.7-177.2-7383.7000113.7N152 I153N152-H156 PolarHBondContact O-N 3.46Å; N152-H156 VanDerWaalsContact O-N 3.17Å; N152-H156 PolarHBondContact O-ND1 3.25Å; I153-H156 PolarHBondContact O-N 2.96Å
157H51.5Low66.3Low126 Ų12674.4 Ų74.458%0.58339%0.385SS*.Hα-helixtrans-117-7.6-166.5-59.2-66.1000114.9I153I153-H157 WeakPolarHBondContact O-CB 3.48Å; I153-H157 PolarHBondContact O-CD2 3.1Å; I153-H157 PolarHBondContact O-N 3.29Å
158A54.9Low66.4Low27 Ų2768.9 Ų68.922%0.22336%0.359CS..  trans-118.2129.8-176.500000113.1C154 C164C154-A158 WeakPolarHBondContact O-CB 3.13Å; C154-A158 PolarHBondContact O-N 2.92Å; A158-C164 HydrophobicContact CB-CB 3.41Å; A158-C164 VanDerWaalsContact CB-CB 3.41Å
159A65.3Low66.7Low119 Ų11971.3 Ų71.398%0.98337%0.368SS*.SBendtrans-66.7-39.9169.100000111.5
160D76.8Confident66.8Low91 Ų9174.2 Ų74.249%0.48739%0.39SS..SBendtrans-107.1102.1173.1-175.1-21000109.5H162 K163 C164D160-H162 PolarHBondContact OD1-N 3.24Å; D160-H162 VanDerWaalsContact OD1-N 3.14Å; D160-K163 HydrophobicContact CB-CB 4.09Å; D160-K163 VanDerWaalsContact CG-CB 3.46Å; D160-K163 PolarHBondContact OD1-N 3.45Å; D160-K163 WeakPolarHBondContact OD2-CB 3.5Å; D160-C164 WeakPolarHBondContact O-CB 3.37Å; D160-C164 PolarHBondContact O-N 3.28Å; D160-C164 VanDerWaalsContact O-N 3.11Å
161K74.8Confident66.8Low104 Ų10476.4 Ų76.445%0.45240%0.402SS..Hα-helixtrans-67-43.2-176.1-61-178.4-177.2-177.60111.4C164 F165K161-C164 WeakPolarHBondContact O-CB 3.29Å; K161-C164 PolarHBondContact O-N 3.01Å; K161-F165 HydrophobicContact CB-CE2 4.46Å; K161-F165 WeakPolarHBondContact O-CD2 3.34Å; K161-F165 PolarHBondContact O-N 3.12Å
162H75.9Confident66.8Low127 Ų12772.4 Ų72.459%0.58839%0.385SS*.Hα-helixtrans-63.9-48.8-176.8-173-80.2000111D160 C164 F165 E166D160-H162 PolarHBondContact OD1-N 3.24Å; D160-H162 VanDerWaalsContact OD1-N 3.14Å; H162-C164 PolarHBondContact O-N 2.94Å; H162-F165 WeakPolarHBondContact O-CB 3.47Å; H162-F165 PolarHBondContact O-N 3.08Å; H162-F165 VanDerWaalsContact O-N 3.13Å; H162-E166 VanDerWaalsContact CE1-CD 3.49Å; H162-E166 IonicContact CE1-OE1 3.09Å; H162-E166 PolarHBondContact CE1-OE1 2.82Å; H162-E166 IonicContact ND1-OE1 3.54Å; H162-E166 IonicContact ND1-OE2 3.72Å; H162-E166 PolarHBondContact O-N 3.41Å; H162-E166 VanDerWaalsContact O-N 3.07Å
163K72.5Confident67Low132 Ų13273.6 Ų73.657%0.57439%0.394SS*.Hα-helixtrans-61.7-34.9176.5-171.4173.5-175.6175.40112.2D160 T167D160-K163 HydrophobicContact CB-CB 4.09Å; D160-K163 VanDerWaalsContact CG-CB 3.46Å; D160-K163 PolarHBondContact OD1-N 3.45Å; D160-K163 WeakPolarHBondContact OD2-CB 3.5Å; K163-T167 WeakPolarHBondContact O-CB 3.48Å; K163-T167 PolarHBondContact O-N 3.13Å; K163-T167 PolarHBondContact O-OG1 3.3Å
164C69.5Low67.1Low19 Ų1977.9 Ų77.913%0.12841%0.412CS..Hα-helixtrans-63.2-47.1173.1173.50000112.1C154 A158 D160 K161 H162 E166 T167 I168C154-C164 WeakPolarHBondContact CA-SG 3.46Å; C154-C164 HydrophobicContact CB-CB 3.71Å; C154-C164 WeakPolarHBondContact CB-SG 3.49Å; C154-C164 WeakPolarHBondContact SG-CB 3.39Å; C154-C164 CovalentContact SG-SG 2.04Å; C154-C164 PolarHBondContact SG-SG 2.99Å; A158-C164 HydrophobicContact CB-CB 3.41Å; A158-C164 VanDerWaalsContact CB-CB 3.41Å; D160-C164 WeakPolarHBondContact O-CB 3.37Å; D160-C164 PolarHBondContact O-N 3.28Å; D160-C164 VanDerWaalsContact O-N 3.11Å; K161-C164 WeakPolarHBondContact O-CB 3.29Å; K161-C164 PolarHBondContact O-N 3.01Å; H162-C164 PolarHBondContact O-N 2.94Å; C164-E166 PolarHBondContact O-N 3.29Å; C164-T167 PolarHBondContact O-N 3.26Å; C164-I168 WeakPolarHBondContact O-CG1 3.43Å; C164-I168 PolarHBondContact O-N 3.48Å
165F72.5Confident66.4Low65 Ų6580.3 Ų80.329%0.28543%0.425SS..Hα-helixtrans-56-52.5176.3-81.3-77.1000111.6I150 K151 C154 K161 H162 T167 I168 E169I150-F165 HydrophobicContact CB-CD1 4.04Å; I150-F165 HydrophobicContact CB-CE1 4.05Å; I150-F165 HydrophobicContact CG2-CB 4.5Å; I150-F165 HydrophobicContact CG2-CD1 3.22Å; I150-F165 HydrophobicContact CG2-CE1 3.66Å; I150-F165 HydrophobicContact CG2-CG 4.1Å; K151-F165 HydrophobicContact CB-CE1 3.88Å; K151-F165 HydrophobicContact CB-CZ 3.66Å; K151-F165 HydrophobicContact CG-CZ 3.97Å; C154-F165 HydrophobicContact CB-CD2 4.35Å; C154-F165 HydrophobicContact CB-CE2 4.2Å; C154-F165 HydrophobicContact CB-CZ 4.5Å; C154-F165 PolarHBondContact SG-N 3.37Å; C154-F165 VanDerWaalsContact SG-N 3.41Å; K161-F165 HydrophobicContact CB-CE2 4.46Å; K161-F165 WeakPolarHBondContact O-CD2 3.34Å; K161-F165 PolarHBondContact O-N 3.12Å; H162-F165 WeakPolarHBondContact O-CB 3.47Å; H162-F165 PolarHBondContact O-N 3.08Å; H162-F165 VanDerWaalsContact O-N 3.13Å; F165-T167 VanDerWaalsContact C-N 3.28Å; F165-T167 PolarHBondContact O-N 2.86Å; F165-I168 PolarHBondContact O-N 2.94Å; F165-E169 WeakPolarHBondContact O-CG 3.12Å; F165-E169 PolarHBondContact O-N 2.91Å
166E73.9Confident66.1Low111 Ų11179.9 Ų79.952%0.51942%0.42SS..Hα-helixtrans-57.5-42.2178.7-68.7178.6148.100112H162 C164 S170H162-E166 VanDerWaalsContact CE1-CD 3.49Å; H162-E166 IonicContact CE1-OE1 3.09Å; H162-E166 PolarHBondContact CE1-OE1 2.82Å; H162-E166 IonicContact ND1-OE1 3.54Å; H162-E166 IonicContact ND1-OE2 3.72Å; H162-E166 PolarHBondContact O-N 3.41Å; H162-E166 VanDerWaalsContact O-N 3.07Å; C164-E166 PolarHBondContact O-N 3.29Å; E166-S170 WeakPolarHBondContact O-CB 2.78Å; E166-S170 PolarHBondContact O-N 3.24Å
167T70.3Confident66.5Low71 Ų7179.9 Ų79.944%0.43642%0.42SS..Hα-helixtrans-66.4-45.4-179.9-570000111.2K163 C164 F165 S170 I171K163-T167 WeakPolarHBondContact O-CB 3.48Å; K163-T167 PolarHBondContact O-N 3.13Å; K163-T167 PolarHBondContact O-OG1 3.3Å; C164-T167 PolarHBondContact O-N 3.26Å; F165-T167 VanDerWaalsContact C-N 3.28Å; F165-T167 PolarHBondContact O-N 2.86Å; T167-S170 PolarHBondContact O-N 2.65Å; T167-I171 HydrophobicContact CG2-CD1 4.01Å; T167-I171 VanDerWaalsContact O-CG1 3.29Å; T167-I171 WeakPolarHBondContact O-CG1 3.29Å; T167-I171 PolarHBondContact O-N 2.87Å
168I67.9Low66.5Low19 Ų1978.7 Ų78.710%0.09742%0.417CS..Hα-helixtrans-68.7-41.6-179.5-66179000110.7I150 I153 C164 F165 S170 I171 I172I150-I168 HydrophobicContact CB-CG2 4.42Å; I150-I168 HydrophobicContact CD1-CG2 4.11Å; I150-I168 HydrophobicContact CG1-CG2 3.72Å; I150-I168 HydrophobicContact CG2-CB 3.94Å; I150-I168 HydrophobicContact CG2-CD1 4.13Å; I150-I168 HydrophobicContact CG2-CG2 3.95Å; I153-I168 HydrophobicContact CB-CD1 4.12Å; I153-I168 HydrophobicContact CD1-CD1 4.22Å; I153-I168 HydrophobicContact CG2-CD1 3.64Å; C164-I168 WeakPolarHBondContact O-CG1 3.43Å; C164-I168 PolarHBondContact O-N 3.48Å; F165-I168 PolarHBondContact O-N 2.94Å; I168-S170 VanDerWaalsContact C-N 3.31Å; I168-S170 PolarHBondContact O-N 2.82Å; I168-I171 PolarHBondContact O-N 3.16Å; I168-I172 HydrophobicContact CG2-CD1 3.73Å; I168-I172 HydrophobicContact CG2-CG1 4.21Å; I168-I172 WeakPolarHBondContact O-CG1 3.15Å; I168-I172 PolarHBondContact O-N 2.82Å
169E71.4Confident65.9Low90 Ų9081.7 Ų81.742%0.42143%0.433SS..Hα-helixtrans-58.1-44.7173.5-76.5-143.111800111.7K146 I150 F165 I171 I172 T173K146-E169 WeakPolarHBondContact CE-OE1 2.9Å; K146-E169 IonicContact NZ-OE1 2.75Å; K146-E169 PolarHBondContact NZ-OE1 3.07Å; I150-E169 HydrophobicContact CD1-CG 4.16Å; F165-E169 WeakPolarHBondContact O-CG 3.12Å; F165-E169 PolarHBondContact O-N 2.91Å; E169-I171 VanDerWaalsContact C-N 3.32Å; E169-I171 PolarHBondContact O-N 3.39Å; E169-I172 PolarHBondContact O-N 3.15Å; E169-T173 WeakPolarHBondContact O-CB 3.35Å; E169-T173 PolarHBondContact O-N 2.88Å; E169-T173 PolarHBondContact O-OG1 2.79Å; E169-T173 VanDerWaalsContact O-OG1 3.1Å
170S68.2Low64.9Low83 Ų8385.6 Ų85.658%0.5844%0.435SS*.Hα-helixtrans-60.4-41.2176.3-1740000112.3E166 T167 I168 F174E166-S170 WeakPolarHBondContact O-CB 2.78Å; E166-S170 PolarHBondContact O-N 3.24Å; T167-S170 PolarHBondContact O-N 2.65Å; I168-S170 VanDerWaalsContact C-N 3.31Å; I168-S170 PolarHBondContact O-N 2.82Å; S170-F174 WeakPolarHBondContact O-CB 3.31Å; S170-F174 PolarHBondContact O-N 3.46Å
171I64.2Low64.3Low52 Ų5285.4 Ų85.427%0.26743%0.432SS..Hα-helixtrans-65.8-46176.4-68.9166.2000111T167 I168 E169 F174 L175T167-I171 HydrophobicContact CG2-CD1 4.01Å; T167-I171 VanDerWaalsContact O-CG1 3.29Å; T167-I171 WeakPolarHBondContact O-CG1 3.29Å; T167-I171 PolarHBondContact O-N 2.87Å; I168-I171 PolarHBondContact O-N 3.16Å; E169-I171 VanDerWaalsContact C-N 3.32Å; E169-I171 PolarHBondContact O-N 3.39Å; I171-F174 PolarHBondContact O-N 3.48Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.3Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.1Å; I171-L175 PolarHBondContact O-N 3.42Å
172I65.9Low63.7Low31 Ų3184.4 Ų84.416%0.15943%0.431CS..Hα-helixtrans-61.7-47.3179.9-70.4169.7000110.4A140 I150 I168 E169 F174 L175 L176A140-I172 HydrophobicContact CB-CG2 4.31Å; I150-I172 HydrophobicContact CD1-CD1 3.75Å; I150-I172 HydrophobicContact CG1-CD1 4.07Å; I168-I172 HydrophobicContact CG2-CD1 3.73Å; I168-I172 HydrophobicContact CG2-CG1 4.21Å; I168-I172 WeakPolarHBondContact O-CG1 3.15Å; I168-I172 PolarHBondContact O-N 2.82Å; E169-I172 PolarHBondContact O-N 3.15Å; I172-F174 VanDerWaalsContact C-N 3.33Å; I172-F174 PolarHBondContact O-N 3.28Å; I172-L175 PolarHBondContact O-N 3.17Å; I172-L175 VanDerWaalsContact O-N 3.17Å; I172-L176 HydrophobicContact CG2-CD1 3.98Å; I172-L176 HydrophobicContact CG2-CG 4.41Å; I172-L176 WeakPolarHBondContact O-CG 3.48Å; I172-L176 PolarHBondContact O-N 3.21Å
173T64.9Low63Low65 Ų6582 Ų8240%0.39942%0.423SS..Hα-helixtrans-57.9-47.1176.8-620000111E169 L175 L176 E177E169-T173 WeakPolarHBondContact O-CB 3.35Å; E169-T173 PolarHBondContact O-N 2.88Å; E169-T173 PolarHBondContact O-OG1 2.79Å; E169-T173 VanDerWaalsContact O-OG1 3.1Å; T173-L175 VanDerWaalsContact C-N 3.33Å; T173-L175 PolarHBondContact O-N 3.08Å; T173-L176 PolarHBondContact O-N 3.17Å; T173-E177 WeakPolarHBondContact O-CG 3.36Å; T173-E177 PolarHBondContact O-N 3.26Å
174F63.4Low62.5Low111 Ų11179.1 Ų79.149%0.48741%0.414SS..Hα-helixtrans-59.3-41.5176.1175.6-98.4000112.8S170 I171 I172 E177 I178S170-F174 WeakPolarHBondContact O-CB 3.31Å; S170-F174 PolarHBondContact O-N 3.46Å; I171-F174 PolarHBondContact O-N 3.48Å; I172-F174 VanDerWaalsContact C-N 3.33Å; I172-F174 PolarHBondContact O-N 3.28Å; F174-E177 PolarHBondContact O-N 2.81Å; F174-I178 HydrophobicContact CE1-CD1 4.22Å; F174-I178 HydrophobicContact CE1-CG2 4.39Å; F174-I178 HydrophobicContact CE2-CG2 4.26Å; F174-I178 HydrophobicContact CZ-CG2 4.06Å; F174-I178 PolarHBondContact O-N 3.32Å
175L51.2Low62Low51 Ų5182.8 Ų82.827%0.26743%0.432SS..Hα-helixtrans-67.2-38.1178.5-71.5175.1000112.7I171 I172 T173 E177 I178 T179I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.3Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.1Å; I171-L175 PolarHBondContact O-N 3.42Å; I172-L175 PolarHBondContact O-N 3.17Å; I172-L175 VanDerWaalsContact O-N 3.17Å; T173-L175 VanDerWaalsContact C-N 3.33Å; T173-L175 PolarHBondContact O-N 3.08Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-I178 HydrophobicContact CD2-CD1 4.01Å; L175-I178 VanDerWaalsContact O-CG1 3.25Å; L175-I178 WeakPolarHBondContact O-CG1 3.33Å; L175-I178 PolarHBondContact O-N 3.39Å; L175-T179 PolarHBondContact O-N 2.76Å; L175-T179 PolarHBondContact O-OG1 3.12Å
176L58.3Low61.3Low53 Ų5384 Ų8428%0.27744%0.441SS..Hα-helixtrans-65.5-36.3174.6-70.7171.7000111.8L137 I172 T173 I178 T179L137-L176 HydrophobicContact CD2-CD2 4.34Å; I172-L176 HydrophobicContact CG2-CD1 3.98Å; I172-L176 HydrophobicContact CG2-CG 4.41Å; I172-L176 WeakPolarHBondContact O-CG 3.48Å; I172-L176 PolarHBondContact O-N 3.21Å; T173-L176 PolarHBondContact O-N 3.17Å; L176-I178 PolarHBondContact O-N 3.19Å; L176-T179 WeakPolarHBondContact CA-OG1 3.28Å; L176-T179 PolarHBondContact O-N 2.85Å; L176-T179 PolarHBondContact O-OG1 2.7Å
177E63.9Low60.4Low130 Ų13082.1 Ų82.161%0.60744%0.436SS*.Hα-helixtrans-69-29.5178.5-73.6173179.400113.9T173 F174 L175T173-E177 WeakPolarHBondContact O-CG 3.36Å; T173-E177 PolarHBondContact O-N 3.26Å; F174-E177 PolarHBondContact O-N 2.81Å; L175-E177 VanDerWaalsContact C-N 3.33Å
178I51.5Low59.7Low102 Ų10282.9 Ų82.952%0.52344%0.436SS..Hα-helixtrans-90.7-9.6179.365170.3000113.9F174 L175 L176F174-I178 HydrophobicContact CE1-CD1 4.22Å; F174-I178 HydrophobicContact CE1-CG2 4.39Å; F174-I178 HydrophobicContact CE2-CG2 4.26Å; F174-I178 HydrophobicContact CZ-CG2 4.06Å; F174-I178 PolarHBondContact O-N 3.32Å; L175-I178 HydrophobicContact CD2-CD1 4.01Å; L175-I178 VanDerWaalsContact O-CG1 3.25Å; L175-I178 WeakPolarHBondContact O-CG1 3.33Å; L175-I178 PolarHBondContact O-N 3.39Å; L176-I178 PolarHBondContact O-N 3.19Å
179T41.2Very low59Low90 Ų9088.3 Ų88.355%0.55246%0.464SS*.Hα-helixtrans-95-9.117938.10000113.1L175 L176L175-T179 PolarHBondContact O-N 2.76Å; L175-T179 PolarHBondContact O-OG1 3.12Å; L176-T179 WeakPolarHBondContact CA-OG1 3.28Å; L176-T179 PolarHBondContact O-N 2.85Å; L176-T179 PolarHBondContact O-OG1 2.7Å
180I44.1Very low57.9Low201 Ų20188.1 Ų88.1100%1.03147%0.468SS*.  trans-92.70169.6-60.2170.9000109.1

Retrieved 180 of 180 residues in 36.1 ms (Link to these results)

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