Q99NA0_MOUSE Loading...

Steroid 5 alpha reductase type2

AlphaFold DB , UniProt , Accession Q99NA0, Species MOUSE (Mus musculus, Mouse), Gene 5ART2, Length 93 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
1M48.7Very low86.7Confident228 Ų228126.7 Ų126.7100%1.12370%0.7SS**  0134.30-65.8-175.3172.300107.7I3M1-I3 PolarHBondContact O-N 3.28Å
2P65.6Low87.7Confident118 Ų118120.5 Ų120.577%0.76668%0.677SS**PPolyproline II helixtrans-63.5129.3176.326.7-31.9000109.2V4P2-V4 PolarHBondContact O-N 3.28Å
3I76.8Confident88.5Confident174 Ų174113.9 Ų113.989%0.89265%0.653SS**PPolyproline II helixtrans-75.1116.9172.8-61.8171.5000106.6M1M1-I3 PolarHBondContact O-N 3.28Å
4V89.2Confident89.2Confident98 Ų98110.8 Ų110.859%0.59464%0.641SS**PPolyproline II helixtrans-96.4130.5178.6-179.30000109.1P2 H6P2-V4 PolarHBondContact O-N 3.28Å; V4-H6 PolarHBondContact O-N 3.16Å
5C90.8Very high89.8Confident98 Ų98107 Ų10766%0.66263%0.628SS**  trans-78.4113.9172.4-176.30000109.8Q7C5-Q7 PolarHBondContact O-N 3.42Å
6H95.3Very high90.3Very high137 Ų137105.6 Ų105.663%0.63462%0.621SS**  trans-79.9102172.2-66.4-79.3000109.9V4 P9V4-H6 PolarHBondContact O-N 3.16Å; H6-P9 HydrophobicContact CB-CG 3.83Å; H6-P9 VanDerWaalsContact O-CD 3.25Å; H6-P9 WeakPolarHBondContact O-CD 3.35Å; H6-P9 VanDerWaalsContact O-CG 3.26Å; H6-P9 WeakPolarHBondContact O-CG 3.47Å
7Q96.6Very high90.8Very high140 Ų140107.4 Ų107.465%0.65463%0.627SS**Hα-helixtrans-70.4-33.2-174.7-69.2-177.5-1800114.2C5 V10 L11C5-Q7 PolarHBondContact O-N 3.42Å; Q7-V10 WeakPolarHBondContact O-CB 3.46Å; Q7-V10 PolarHBondContact O-N 3.34Å; Q7-L11 WeakPolarHBondContact O-CG 3.32Å; Q7-L11 PolarHBondContact O-N 3.32Å
8V97.9Very high91.2Very high116 Ų116104.7 Ų104.770%0.70362%0.619SS**Hα-helixtrans-55.9-53.2-178.11770000112.8V10 L11 A12V8-V10 VanDerWaalsContact C-N 3.29Å; V8-V10 PolarHBondContact O-N 3.18Å; V8-L11 PolarHBondContact O-N 3.04Å; V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 3.09Å
9P97.2Very high91.6Very high82 Ų82103.3 Ų103.353%0.53261%0.611SS.*Hα-helixtrans-65-31.4178.624.1-34.7000113.2H6 A12 G13H6-P9 HydrophobicContact CB-CG 3.83Å; H6-P9 VanDerWaalsContact O-CD 3.25Å; H6-P9 WeakPolarHBondContact O-CD 3.35Å; H6-P9 VanDerWaalsContact O-CG 3.26Å; H6-P9 WeakPolarHBondContact O-CG 3.47Å; P9-A12 PolarHBondContact O-N 3.37Å; P9-G13 PolarHBondContact O-N 3.47Å
10V97.3Very high91.9Very high85 Ų85103.5 Ų103.552%0.51561%0.607SS.*Hα-helixtrans-62.2-51.5175.21770000110Q7 V8 A12 G13 S14Q7-V10 WeakPolarHBondContact O-CB 3.46Å; Q7-V10 PolarHBondContact O-N 3.34Å; V8-V10 VanDerWaalsContact C-N 3.29Å; V8-V10 PolarHBondContact O-N 3.18Å; V10-A12 PolarHBondContact O-N 2.91Å; V10-G13 PolarHBondContact O-N 3.02Å; V10-S14 PolarHBondContact O-N 3.49Å; V10-S14 PolarHBondContact O-OG 3.31Å
11L98.5Very high92.1Very high118 Ų118100.1 Ų100.162%0.61859%0.594SS**Hα-helixtrans-63.5-40.9178.9-68.6173.5000112.1Q7 V8 G13 S14 A15Q7-L11 WeakPolarHBondContact O-CG 3.32Å; Q7-L11 PolarHBondContact O-N 3.32Å; V8-L11 PolarHBondContact O-N 3.04Å; L11-G13 PolarHBondContact O-N 2.82Å; L11-S14 PolarHBondContact O-N 2.87Å; L11-A15 VanDerWaalsContact O-CB 3.32Å; L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.47Å
12A98.4Very high94.5Very high52 Ų5293.1 Ų93.143%0.4356%0.564SS.*Hα-helixtrans-62.4-42.1177.100000112V8 P9 V10 A15 T16V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 3.09Å; P9-A12 PolarHBondContact O-N 3.37Å; V10-A12 PolarHBondContact O-N 2.91Å; A12-A15 PolarHBondContact O-N 3.37Å; A12-T16 WeakPolarHBondContact O-CB 3.25Å; A12-T16 PolarHBondContact O-N 2.95Å; A12-T16 PolarHBondContact O-OG1 3.33Å
13G98.1Very high96Very high35 Ų3591.7 Ų91.736%0.36155%0.55SS.*Hα-helixtrans-63.2-47.4175.100000112.2P9 V10 L11 A15 T16 L17P9-G13 PolarHBondContact O-N 3.47Å; V10-G13 PolarHBondContact O-N 3.02Å; L11-G13 PolarHBondContact O-N 2.82Å; G13-A15 PolarHBondContact O-N 3.5Å; G13-T16 PolarHBondContact O-N 3.47Å; G13-L17 PolarHBondContact O-N 2.99Å
14S98.3Very high96.9Very high70 Ų7088.2 Ų88.249%0.4953%0.532SS..Hα-helixtrans-60.6-44.3176.3-59.50000112.4V10 L11 T16 L17 A18V10-S14 PolarHBondContact O-N 3.49Å; V10-S14 PolarHBondContact O-OG 3.31Å; L11-S14 PolarHBondContact O-N 2.87Å; S14-T16 VanDerWaalsContact C-N 3.33Å; S14-T16 PolarHBondContact O-N 3.15Å; S14-L17 PolarHBondContact O-N 3.38Å; S14-A18 PolarHBondContact O-N 3Å; S14-A18 VanDerWaalsContact O-N 3.09Å
15A98.6Very high97.2Very high54 Ų5490.4 Ų90.445%0.44654%0.54SS..Hα-helixtrans-62.2-42.117700000111.4L11 A12 G13 L17 A18 T19L11-A15 VanDerWaalsContact O-CB 3.32Å; L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.47Å; A12-A15 PolarHBondContact O-N 3.37Å; G13-A15 PolarHBondContact O-N 3.5Å; A15-L17 PolarHBondContact O-N 3.37Å; A15-A18 PolarHBondContact O-N 3.21Å; A15-T19 VanDerWaalsContact O-CG2 3.3Å; A15-T19 WeakPolarHBondContact O-CG2 3.45Å; A15-T19 PolarHBondContact O-N 3.39Å; A15-T19 PolarHBondContact O-OG1 3.38Å; A15-T19 VanDerWaalsContact O-OG1 3.08Å
16T98.6Very high97.5Very high85 Ų8590.7 Ų90.752%0.52154%0.541SS..Hα-helixtrans-62.5-41.8178.3-57.50000112.1A12 G13 S14 T19 M20A12-T16 WeakPolarHBondContact O-CB 3.25Å; A12-T16 PolarHBondContact O-N 2.95Å; A12-T16 PolarHBondContact O-OG1 3.33Å; G13-T16 PolarHBondContact O-N 3.47Å; S14-T16 VanDerWaalsContact C-N 3.33Å; S14-T16 PolarHBondContact O-N 3.15Å; T16-T19 WeakPolarHBondContact CA-OG1 3.4Å; T16-T19 PolarHBondContact O-OG1 3.49Å; T16-M20 WeakPolarHBondContact O-CB 3.26Å; T16-M20 PolarHBondContact O-N 3.29Å
17L98.3Very high97.4Very high136 Ų13691.5 Ų91.571%0.71254%0.544SS*.Hα-helixtrans-64.8-43.2176.3-72.6171.9000111.7G13 S14 A15 M20 G21G13-L17 PolarHBondContact O-N 2.99Å; S14-L17 PolarHBondContact O-N 3.38Å; A15-L17 PolarHBondContact O-N 3.37Å; L17-M20 PolarHBondContact O-N 3.02Å; L17-G21 PolarHBondContact O-N 3.31Å
18A98.4Very high97.1Very high59 Ų5988 Ų8849%0.48855%0.545SS..Hα-helixtrans-65.4-42.1178.300000112.4S14 A15 G21 T22S14-A18 PolarHBondContact O-N 3Å; S14-A18 VanDerWaalsContact O-N 3.09Å; A15-A18 PolarHBondContact O-N 3.21Å; A18-G21 PolarHBondContact O-N 2.95Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 3.31Å
19T98.3Very high96.7Very high77 Ų7790.5 Ų90.547%0.47255%0.546SS..Hα-helixtrans-67.5-41.2177.355.30000111.3A15 T16 G21 T22 L23A15-T19 VanDerWaalsContact O-CG2 3.3Å; A15-T19 WeakPolarHBondContact O-CG2 3.45Å; A15-T19 PolarHBondContact O-N 3.39Å; A15-T19 PolarHBondContact O-OG1 3.38Å; A15-T19 VanDerWaalsContact O-OG1 3.08Å; T16-T19 WeakPolarHBondContact CA-OG1 3.4Å; T16-T19 PolarHBondContact O-OG1 3.49Å; T19-G21 PolarHBondContact O-N 3.49Å; T19-T22 PolarHBondContact O-N 3.19Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 VanDerWaalsContact O-CG 3.3Å; T19-L23 WeakPolarHBondContact O-CG 3.44Å; T19-L23 PolarHBondContact O-N 2.73Å
20M97.7Very high96.3Very high108 Ų10890 Ų9053%0.53254%0.543SS..Hα-helixtrans-58.5-47.5174.8-17168.876.200111.4T16 L17 T22 L23 I24T16-M20 WeakPolarHBondContact O-CB 3.26Å; T16-M20 PolarHBondContact O-N 3.29Å; L17-M20 PolarHBondContact O-N 3.02Å; M20-T22 VanDerWaalsContact C-N 3.32Å; M20-T22 PolarHBondContact O-N 3.48Å; M20-L23 PolarHBondContact O-N 3.46Å; M20-I24 HydrophobicContact CG-CD1 4.15Å; M20-I24 VanDerWaalsContact O-CG1 3.3Å; M20-I24 WeakPolarHBondContact O-CG1 3.49Å; M20-I24 PolarHBondContact O-N 3.38Å
21G96.9Very high95.9Very high32 Ų3288.8 Ų88.833%0.3354%0.542SS..Hα-helixtrans-59.3-42.7175.700000112.6L17 A18 T19 I24 L25L17-G21 PolarHBondContact O-N 3.31Å; A18-G21 PolarHBondContact O-N 2.95Å; T19-G21 PolarHBondContact O-N 3.49Å; G21-I24 PolarHBondContact O-N 3.18Å; G21-L25 WeakPolarHBondContact O-CG 3.3Å; G21-L25 PolarHBondContact O-N 2.88Å; G21-L25 VanDerWaalsContact O-N 3.13Å
22T97.8Very high95.5Very high81 Ų8186.2 Ų86.250%0.49753%0.534SS..Hα-helixtrans-63-45176.8-54.90000111.5A18 T19 M20 I24 L25 C26A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 3.31Å; T19-T22 PolarHBondContact O-N 3.19Å; M20-T22 VanDerWaalsContact C-N 3.32Å; M20-T22 PolarHBondContact O-N 3.48Å; T22-I24 PolarHBondContact O-N 2.92Å; T22-L25 PolarHBondContact O-N 3.49Å; T22-C26 PolarHBondContact O-N 3.3Å; T22-C26 PolarHBondContact O-SG 3.18Å
23L96.9Very high95.1Very high89 Ų8990.8 Ų90.847%0.46654%0.541SS..Hα-helixtrans-60.7-45.2177.7-72.6171.1000111.4T19 M20 L25 C26 F27T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 VanDerWaalsContact O-CG 3.3Å; T19-L23 WeakPolarHBondContact O-CG 3.44Å; T19-L23 PolarHBondContact O-N 2.73Å; M20-L23 PolarHBondContact O-N 3.46Å; L23-L25 VanDerWaalsContact C-N 3.29Å; L23-L25 PolarHBondContact O-N 2.97Å; L23-C26 PolarHBondContact O-N 2.9Å; L23-F27 HydrophobicContact CB-CD2 4.43Å; L23-F27 HydrophobicContact CB-CE2 4.34Å; L23-F27 HydrophobicContact CD2-CE2 4.49Å; L23-F27 WeakPolarHBondContact O-CD2 3.38Å; L23-F27 PolarHBondContact O-N 3.27Å
24I95.4Very high94.6Very high101 Ų10191.7 Ų91.752%0.51855%0.55SS.*Hα-helixtrans-56.9-44.5177-68.7165.4000110.7M20 G21 T22 F27 G28M20-I24 HydrophobicContact CG-CD1 4.15Å; M20-I24 VanDerWaalsContact O-CG1 3.3Å; M20-I24 WeakPolarHBondContact O-CG1 3.49Å; M20-I24 PolarHBondContact O-N 3.38Å; G21-I24 PolarHBondContact O-N 3.18Å; T22-I24 PolarHBondContact O-N 2.92Å; I24-F27 PolarHBondContact O-N 2.84Å; I24-G28 PolarHBondContact O-N 3.23Å
25L96.1Very high94.2Very high144 Ų14497 Ų9775%0.75457%0.565SS**Hα-helixtrans-65.2-43.6176.9-67.3172.5000112.2G21 T22 L23 F27 G28G21-L25 WeakPolarHBondContact O-CG 3.3Å; G21-L25 PolarHBondContact O-N 2.88Å; G21-L25 VanDerWaalsContact O-N 3.13Å; T22-L25 PolarHBondContact O-N 3.49Å; L23-L25 VanDerWaalsContact C-N 3.29Å; L23-L25 PolarHBondContact O-N 2.97Å; L25-F27 VanDerWaalsContact C-N 3.35Å; L25-F27 PolarHBondContact O-N 3.24Å; L25-G28 PolarHBondContact O-N 3.46Å
26C96.7Very high93.7Very high103 Ų10397.7 Ų97.770%0.69656%0.558SS**Hα-helixtrans-65.1-35.2178.8-70.30000113T22 L23 G28T22-C26 PolarHBondContact O-N 3.3Å; T22-C26 PolarHBondContact O-SG 3.18Å; L23-C26 PolarHBondContact O-N 2.9Å; C26-G28 VanDerWaalsContact C-N 3.28Å; C26-G28 PolarHBondContact O-N 3.47Å
27F93.5Very high92.9Very high155 Ų15596.9 Ų96.968%0.6856%0.556SS**Hα-helixtrans-70.6-25.2176.8-80.7-64.4000112.9L23 I24 L25 K29L23-F27 HydrophobicContact CB-CD2 4.43Å; L23-F27 HydrophobicContact CB-CE2 4.34Å; L23-F27 HydrophobicContact CD2-CE2 4.49Å; L23-F27 WeakPolarHBondContact O-CD2 3.38Å; L23-F27 PolarHBondContact O-N 3.27Å; I24-F27 PolarHBondContact O-N 2.84Å; L25-F27 VanDerWaalsContact C-N 3.35Å; L25-F27 PolarHBondContact O-N 3.24Å; F27-K29 PolarHBondContact O-N 3.2Å
28G89.9Confident91.9Very high66 Ų6699.3 Ų99.368%0.6856%0.564SS**  trans61.611.3173.700000115.2I24 L25 C26I24-G28 PolarHBondContact O-N 3.23Å; L25-G28 PolarHBondContact O-N 3.46Å; C26-G28 VanDerWaalsContact C-N 3.28Å; C26-G28 PolarHBondContact O-N 3.47Å
29K89.1Confident90.6Very high169 Ų16999.9 Ų99.974%0.73557%0.565SS**  trans-104.9134.4179.8-71.3178.7-177.5177.90109.6F27F27-K29 PolarHBondContact O-N 3.2Å
30P89.4Confident89.4Confident70 Ų7098.2 Ų98.246%0.45555%0.554SS.*  trans-66.3153.617429.7-34.3000110.6H36P30-H36 HydrophobicContact CB-CB 4.46Å; P30-H36 WeakPolarHBondContact CB-CD2 3.33Å; P30-H36 HydrophobicContact CG-CB 4.25Å
31A89.5Confident88Confident61 Ų6197.4 Ų97.450%0.50456%0.559SS.*  trans-63.5140.1170.400000110.6Y33A31-Y33 HydrophobicContact CB-CD1 3.58Å; A31-Y33 HydrophobicContact CB-CE1 3.41Å; A31-Y33 VanDerWaalsContact CB-CE1 3.41Å; A31-Y33 PolarHBondContact O-N 2.99Å
32S89.1Confident86.3Confident64 Ų64101.9 Ų101.945%0.44859%0.586SS.*SBendtrans-79.756.6-173-53.30000113.2S39 V40S32-S39 VanDerWaalsContact CB-OG 3.29Å; S32-S39 WeakPolarHBondContact CB-OG 3.4Å; S32-S39 PolarHBondContact OG-OG 3.31Å; S32-V40 WeakPolarHBondContact O-CG2 3.47Å
33Y90.1Very high85Confident147 Ų147101.8 Ų101.858%0.57660%0.6SS**SBendtrans-139.6169.5172.172-91.7000110.8A31 K35 H36 W53A31-Y33 HydrophobicContact CB-CD1 3.58Å; A31-Y33 HydrophobicContact CB-CE1 3.41Å; A31-Y33 VanDerWaalsContact CB-CE1 3.41Å; A31-Y33 PolarHBondContact O-N 2.99Å; Y33-K35 PolarHBondContact O-N 3.41Å; Y33-H36 PolarHBondContact O-N 3.13Å; Y33-W53 HydrophobicContact CE2-CZ2 4.28Å
34G88.9Confident84.2Confident54 Ų54101.4 Ų101.456%0.55760%0.602SS**G310 helixtrans60.9-129.9-179.700000111.8H36 S37G34-H36 PolarHBondContact O-N 3.4Å; G34-S37 WeakPolarHBondContact O-CB 3.3Å; G34-S37 PolarHBondContact O-N 3.46Å; G34-S37 PolarHBondContact O-OG 3.45Å
35K89.8Confident83.5Confident182 Ų182102.4 Ų102.479%0.79161%0.614SS**G310 helixtrans-62.2-13.8179.875.1-177.9-174.2-176.40114.5Y33Y33-K35 PolarHBondContact O-N 3.41Å
36H86.9Confident83.1Confident68 Ų68102.4 Ų102.432%0.31562%0.615SS.*G310 helixtrans-106.117.3179-59.5-56.8000112.4P30 Y33 G34 E38 S39P30-H36 HydrophobicContact CB-CB 4.46Å; P30-H36 WeakPolarHBondContact CB-CD2 3.33Å; P30-H36 HydrophobicContact CG-CB 4.25Å; Y33-H36 PolarHBondContact O-N 3.13Å; G34-H36 PolarHBondContact O-N 3.4Å; H36-E38 PolarHBondContact O-N 3.05Å; H36-S39 WeakPolarHBondContact O-CB 3.42Å; H36-S39 PolarHBondContact O-N 2.96Å; H36-S39 VanDerWaalsContact O-N 3.14Å; H36-S39 PolarHBondContact O-OG 3.48Å
37S83.2Confident82.9Confident68 Ų68103.1 Ų103.148%0.47661%0.611SS.*G310 helixtrans-63.5-25178.260.10000113.5G34 S39 V40G34-S37 WeakPolarHBondContact O-CB 3.3Å; G34-S37 PolarHBondContact O-N 3.46Å; G34-S37 PolarHBondContact O-OG 3.45Å; S37-S39 PolarHBondContact O-N 2.89Å; S37-V40 VanDerWaalsContact O-CB 3.26Å; S37-V40 WeakPolarHBondContact O-CB 3.39Å; S37-V40 VanDerWaalsContact O-CG2 3.24Å; S37-V40 WeakPolarHBondContact O-CG2 3.41Å; S37-V40 PolarHBondContact O-N 3.05Å
38E76.8Confident82.9Confident187 Ų18799.5 Ų99.587%0.87460%0.603SS**G310 helixtrans-66.9-16.1176.2-62.3-174.7177.700112.9H36 V40H36-E38 PolarHBondContact O-N 3.05Å; E38-V40 PolarHBondContact O-N 3.47Å
39S70.6Confident83.1Confident72 Ų7299.6 Ų99.650%0.50360%0.597SS.*G310 helixtrans-78.4-3.817384.90000113.1S32 H36 S37S32-S39 VanDerWaalsContact CB-OG 3.29Å; S32-S39 WeakPolarHBondContact CB-OG 3.4Å; S32-S39 PolarHBondContact OG-OG 3.31Å; H36-S39 WeakPolarHBondContact O-CB 3.42Å; H36-S39 PolarHBondContact O-N 2.96Å; H36-S39 VanDerWaalsContact O-N 3.14Å; H36-S39 PolarHBondContact O-OG 3.48Å; S37-S39 PolarHBondContact O-N 2.89Å
40V74.2Confident83.4Confident42 Ų42102.3 Ų102.326%0.25560%0.603SS.*SBendtrans-75.9124.1177.2178.80000108.4S32 S37 E38 S42 V44S32-V40 WeakPolarHBondContact O-CG2 3.47Å; S37-V40 VanDerWaalsContact O-CB 3.26Å; S37-V40 WeakPolarHBondContact O-CB 3.39Å; S37-V40 VanDerWaalsContact O-CG2 3.24Å; S37-V40 WeakPolarHBondContact O-CG2 3.41Å; S37-V40 PolarHBondContact O-N 3.05Å; E38-V40 PolarHBondContact O-N 3.47Å; V40-S42 PolarHBondContact O-N 2.97Å; V40-V44 HydrophobicContact CG1-CB 3.71Å; V40-V44 HydrophobicContact CG1-CG1 4.31Å; V40-V44 HydrophobicContact CG1-CG2 3.91Å
41S68Low83.8Confident91 Ų91103 Ų10364%0.63660%0.602SS**  trans-56.3135.6177.4-176.40000110.9G43 V44S41-G43 PolarHBondContact O-N 3.26Å; S41-V44 PolarHBondContact O-N 3.08Å
42S60.9Low84.1Confident126 Ų126101.7 Ų101.788%0.88159%0.591SS**THydrogen-bonded Turntrans-51.1115.9168.4-70.50000109.4V40V40-S42 PolarHBondContact O-N 2.97Å
43G70.7Confident84.4Confident78 Ų78104.5 Ų104.580%0.80459%0.592SS**THydrogen-bonded Turntrans121.7-9178.900000115.9S41 P45S41-G43 PolarHBondContact O-N 3.26Å; G43-P45 WeakPolarHBondContact O-CD 3.39Å
44V78.6Confident84.8Confident82 Ų82103.6 Ų103.650%0.49759%0.591SS.*PPolyproline II helixtrans-76.1122.8172.8-178.10000109.6V40 S41 L46V40-V44 HydrophobicContact CG1-CB 3.71Å; V40-V44 HydrophobicContact CG1-CG1 4.31Å; V40-V44 HydrophobicContact CG1-CG2 3.91Å; S41-V44 PolarHBondContact O-N 3.08Å; V44-L46 PolarHBondContact O-N 2.96Å
45P81.1Confident85.2Confident121 Ų121105.7 Ų105.779%0.78659%0.589SS**PPolyproline II helixtrans-65.212717625.9-32.2000110.1G43G43-P45 WeakPolarHBondContact O-CD 3.39Å
46L88.4Confident85.5Confident145 Ų145102.8 Ų102.876%0.75958%0.578SS**PPolyproline II helixtrans-98.2140179.3-68.9163.7000110.2V44V44-L46 PolarHBondContact O-N 2.96Å
47L91.2Very high86Confident117 Ų117102 Ų10261%0.61358%0.575SS**PPolyproline II helixtrans-98.5153.9170.9-70.2161.9000109.7A49 A52L47-A49 PolarHBondContact O-N 2.75Å; L47-A52 HydrophobicContact CB-CB 4.35Å
48P94.6Very high86.8Confident80 Ų80101.7 Ų101.752%0.51957%0.567SS.*PPolyproline II helixtrans-54.4128.1166.3-24.534.8000110.2R50 I51 A52P48-R50 PolarHBondContact O-N 3.3Å; P48-I51 HydrophobicContact CB-CD1 4.18Å; P48-I51 HydrophobicContact CB-CG1 4.27Å; P48-I51 HydrophobicContact CG-CD1 3.99Å; P48-I51 PolarHBondContact O-N 3.24Å; P48-A52 PolarHBondContact O-N 3Å
49A93.8Very high87.8Confident68 Ų6896.1 Ų96.156%0.56255%0.548SS*.Hα-helixtrans-54.4-35.5-172.800000113.3L47 I51 A52 W53L47-A49 PolarHBondContact O-N 2.75Å; A49-I51 VanDerWaalsContact C-N 3.34Å; A49-I51 PolarHBondContact O-N 2.95Å; A49-A52 PolarHBondContact O-N 3.4Å; A49-W53 WeakPolarHBondContact O-CB 3.48Å; A49-W53 VanDerWaalsContact O-CD1 3.31Å; A49-W53 PolarHBondContact O-N 3.21Å
50R96.1Very high89.1Confident226 Ų22694.6 Ų94.685%0.85354%0.537SS*.Hα-helixtrans-60.6-42.1176.1-65.8-179.1-177-107.71.5112.5P48 F54P48-R50 PolarHBondContact O-N 3.3Å; R50-F54 WeakPolarHBondContact O-CB 3.5Å; R50-F54 PolarHBondContact O-N 2.87Å
51I96.9Very high90.2Very high84 Ų8495 Ų9543%0.43154%0.535SS..Hα-helixtrans-71.8-43.3178.9-60.6177.7000109.6P48 A49 F54 L55P48-I51 HydrophobicContact CB-CD1 4.18Å; P48-I51 HydrophobicContact CB-CG1 4.27Å; P48-I51 HydrophobicContact CG-CD1 3.99Å; P48-I51 PolarHBondContact O-N 3.24Å; A49-I51 VanDerWaalsContact C-N 3.34Å; A49-I51 PolarHBondContact O-N 2.95Å; I51-F54 PolarHBondContact O-N 3.06Å; I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.2Å; I51-L55 WeakPolarHBondContact O-CB 3.41Å; I51-L55 WeakPolarHBondContact O-CG 3.24Å; I51-L55 PolarHBondContact O-N 2.77Å
52A95.3Very high91.7Very high33 Ų3394.4 Ų94.427%0.27353%0.528SS..Hα-helixtrans-58.7-51.3178.300000111.6L47 P48 A49 L55 Q56L47-A52 HydrophobicContact CB-CB 4.35Å; P48-A52 PolarHBondContact O-N 3Å; A49-A52 PolarHBondContact O-N 3.4Å; A52-L55 PolarHBondContact O-N 2.79Å; A52-Q56 WeakPolarHBondContact O-CB 3.39Å; A52-Q56 PolarHBondContact O-N 3.44Å
53W96.3Very high93.4Very high124 Ų12492.9 Ų92.947%0.4751%0.513SS..Hα-helixtrans-62.8-43.8176.9-85.2103.8000112.4Y33 A49 L55 Q56 E57Y33-W53 HydrophobicContact CE2-CZ2 4.28Å; A49-W53 WeakPolarHBondContact O-CB 3.48Å; A49-W53 VanDerWaalsContact O-CD1 3.31Å; A49-W53 PolarHBondContact O-N 3.21Å; W53-L55 PolarHBondContact O-N 3.42Å; W53-Q56 PolarHBondContact O-N 3.38Å; W53-E57 HydrophobicContact CE3-CG 3.75Å; W53-E57 HydrophobicContact CZ3-CG 4.14Å; W53-E57 VanDerWaalsContact CZ3-OE1 3.32Å; W53-E57 WeakPolarHBondContact CZ3-OE1 3.09Å; W53-E57 WeakPolarHBondContact O-CG 3.28Å; W53-E57 PolarHBondContact O-N 2.98Å
54F97.8Very high94.7Very high127 Ų12789.4 Ų89.456%0.55748%0.476SS*.Hα-helixtrans-57.7-51.6177.2176.5-100.1000111.4R50 I51 Q56 L58R50-F54 WeakPolarHBondContact O-CB 3.5Å; R50-F54 PolarHBondContact O-N 2.87Å; I51-F54 PolarHBondContact O-N 3.06Å; F54-Q56 VanDerWaalsContact C-N 3.34Å; F54-Q56 PolarHBondContact O-N 3.33Å; F54-L58 HydrophobicContact CE1-CD2 4.08Å; F54-L58 HydrophobicContact CE2-CD1 4.32Å; F54-L58 HydrophobicContact CZ-CD1 4.08Å; F54-L58 HydrophobicContact CZ-CD2 4.18Å; F54-L58 WeakPolarHBondContact O-CB 3.3Å; F54-L58 PolarHBondContact O-N 3.33Å
55L97.4Very high95.5Very high98 Ų9888.1 Ų88.151%0.51347%0.468SS..Hα-helixtrans-66.7-35.3-179.2-68.5175.9000112.8I51 A52 W53 P59I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.2Å; I51-L55 WeakPolarHBondContact O-CB 3.41Å; I51-L55 WeakPolarHBondContact O-CG 3.24Å; I51-L55 PolarHBondContact O-N 2.77Å; A52-L55 PolarHBondContact O-N 2.79Å; W53-L55 PolarHBondContact O-N 3.42Å; L55-P59 WeakPolarHBondContact O-CD 3.38Å
56Q97.1Very high96.2Very high121 Ų12184 Ų8457%0.56545%0.447SS*.Hα-helixtrans-67.9-43-179.6-176.4-176.5-5200112.1A52 W53 F54 P59A52-Q56 WeakPolarHBondContact O-CB 3.39Å; A52-Q56 PolarHBondContact O-N 3.44Å; W53-Q56 PolarHBondContact O-N 3.38Å; F54-Q56 VanDerWaalsContact C-N 3.34Å; F54-Q56 PolarHBondContact O-N 3.33Å; Q56-P59 WeakPolarHBondContact O-CD 3.33Å
57E98Very high96.4Very high52 Ų5281.8 Ų81.824%0.24344%0.435CS..Hα-helixtrans-90.6-21.6-173.4-57.1-54.1143.300113.2W53 S60 F61 Y91W53-E57 HydrophobicContact CE3-CG 3.75Å; W53-E57 HydrophobicContact CZ3-CG 4.14Å; W53-E57 VanDerWaalsContact CZ3-OE1 3.32Å; W53-E57 WeakPolarHBondContact CZ3-OE1 3.09Å; W53-E57 WeakPolarHBondContact O-CG 3.28Å; W53-E57 PolarHBondContact O-N 2.98Å; E57-S60 PolarHBondContact O-N 2.97Å; E57-S60 VanDerWaalsContact O-N 3.14Å; E57-F61 PolarHBondContact O-N 3.31Å; E57-Y91 HydrophobicContact CB-CD1 4.41Å; E57-Y91 WeakPolarHBondContact OE2-CE1 3.48Å
58L98.1Very high96.5Very high61 Ų6178.4 Ų78.432%0.31942%0.417SS..Hα-helixtrans-51.2-40.9-179.5-176.169.2000114.6F54 S60 F61 V62F54-L58 HydrophobicContact CE1-CD2 4.08Å; F54-L58 HydrophobicContact CE2-CD1 4.32Å; F54-L58 HydrophobicContact CZ-CD1 4.08Å; F54-L58 HydrophobicContact CZ-CD2 4.18Å; F54-L58 WeakPolarHBondContact O-CB 3.3Å; F54-L58 PolarHBondContact O-N 3.33Å; L58-S60 VanDerWaalsContact C-N 3.35Å; L58-S60 PolarHBondContact O-N 3.22Å; L58-F61 PolarHBondContact O-N 3.44Å; L58-V62 HydrophobicContact CD1-CG2 3.58Å; L58-V62 HydrophobicContact CG-CG2 3.82Å; L58-V62 WeakPolarHBondContact O-CG2 3.2Å; L58-V62 PolarHBondContact O-N 3.07Å
59P98.4Very high96.4Very high71 Ų7178.3 Ų78.346%0.46142%0.423SS..Hα-helixtrans-60.9-40.3179.3-24.635.8000113.3L55 Q56 F61 V62 V63L55-P59 WeakPolarHBondContact O-CD 3.38Å; Q56-P59 WeakPolarHBondContact O-CD 3.33Å; P59-F61 VanDerWaalsContact C-N 3.27Å; P59-F61 PolarHBondContact O-N 2.85Å; P59-V62 PolarHBondContact O-N 3.23Å; P59-V63 VanDerWaalsContact O-CB 3.28Å; P59-V63 WeakPolarHBondContact O-CB 3.42Å; P59-V63 VanDerWaalsContact O-CG2 3.22Å; P59-V63 WeakPolarHBondContact O-CG2 3.32Å; P59-V63 PolarHBondContact O-N 3.5Å
60S97.9Very high96.2Very high39 Ų3986 Ų8627%0.27344%0.438SS..Hα-helixtrans-62.5-37178.4-60.80000111.5E57 L58 S64 F87 Y91E57-S60 PolarHBondContact O-N 2.97Å; E57-S60 VanDerWaalsContact O-N 3.14Å; L58-S60 VanDerWaalsContact C-N 3.35Å; L58-S60 PolarHBondContact O-N 3.22Å; S60-S64 WeakPolarHBondContact O-CB 3.41Å; S60-S64 PolarHBondContact O-OG 2.9Å; S60-F87 WeakPolarHBondContact O-CE1 3.34Å; S60-Y91 VanDerWaalsContact CB-CE1 3.47Å
61F98.3Very high95.7Very high51 Ų5179.2 Ų79.222%0.22442%0.416CS..Hα-helixtrans-72.5-56.6174.2178.1-114.6000112.5E57 L58 P59 V63 S64 V65 S88 F92E57-F61 PolarHBondContact O-N 3.31Å; L58-F61 PolarHBondContact O-N 3.44Å; P59-F61 VanDerWaalsContact C-N 3.27Å; P59-F61 PolarHBondContact O-N 2.85Å; F61-V63 PolarHBondContact O-N 3.33Å; F61-S64 PolarHBondContact O-N 3.36Å; F61-S64 PolarHBondContact O-OG 3.48Å; F61-V65 HydrophobicContact CD2-CG2 3.83Å; F61-V65 HydrophobicContact CE1-CG2 4.44Å; F61-V65 HydrophobicContact CE2-CG2 3.4Å; F61-V65 HydrophobicContact CG-CG2 4.5Å; F61-V65 HydrophobicContact CZ-CG2 3.75Å; F61-V65 WeakPolarHBondContact O-CG2 3.18Å; F61-V65 PolarHBondContact O-N 3.35Å; F61-S88 WeakPolarHBondContact CD2-O 3.22Å; F61-F92 HydrophobicContact CD2-CB 3.95Å; F61-F92 HydrophobicContact CD2-CD2 4.49Å; F61-F92 HydrophobicContact CE1-CD2 4.1Å; F61-F92 HydrophobicContact CE2-CB 3.62Å; F61-F92 AromaticContact CE2-CD2 3.72Å; F61-F92 HydrophobicContact CE2-CD2 3.72Å; F61-F92 HydrophobicContact CE2-CG 4.06Å; F61-F92 HydrophobicContact CZ-CB 4.3Å; F61-F92 AromaticContact CZ-CD2 3.48Å; F61-F92 HydrophobicContact CZ-CD2 3.48Å; F61-F92 VanDerWaalsContact CZ-CD2 3.48Å; F61-F92 HydrophobicContact CZ-CE2 4.26Å; F61-F92 HydrophobicContact CZ-CG 4.27Å
62V98.3Very high94.9Very high79 Ų7980.2 Ų80.248%0.47943%0.428SS..Hα-helixtrans-64.2-41.4-171.21730000111.8L58 P59 G66L58-V62 HydrophobicContact CD1-CG2 3.58Å; L58-V62 HydrophobicContact CG-CG2 3.82Å; L58-V62 WeakPolarHBondContact O-CG2 3.2Å; L58-V62 PolarHBondContact O-N 3.07Å; P59-V62 PolarHBondContact O-N 3.23Å; V62-G66 PolarHBondContact O-N 3.36Å
63V97.9Very high93.6Very high93 Ų9390.7 Ų90.756%0.56446%0.46SS*.Hα-helixtrans-65.3-46.7179.4174.80000110.7P59 F61 G66 M67P59-V63 VanDerWaalsContact O-CB 3.28Å; P59-V63 WeakPolarHBondContact O-CB 3.42Å; P59-V63 VanDerWaalsContact O-CG2 3.22Å; P59-V63 WeakPolarHBondContact O-CG2 3.32Å; P59-V63 PolarHBondContact O-N 3.5Å; F61-V63 PolarHBondContact O-N 3.33Å; V63-G66 PolarHBondContact O-N 2.99Å; V63-M67 HydrophobicContact CG1-SD 4.26Å; V63-M67 WeakPolarHBondContact O-CG 3.22Å; V63-M67 PolarHBondContact O-N 3.26Å
64S96.5Very high92.3Very high5 Ų588.1 Ų88.14%0.03546%0.461CS..Hα-helixtrans-66.3-41.4-178.760.90000112.6S60 F61 M67 L68 S88S60-S64 WeakPolarHBondContact O-CB 3.41Å; S60-S64 PolarHBondContact O-OG 2.9Å; F61-S64 PolarHBondContact O-N 3.36Å; F61-S64 PolarHBondContact O-OG 3.48Å; S64-M67 WeakPolarHBondContact O-CB 3.24Å; S64-M67 PolarHBondContact O-N 2.97Å; S64-L68 PolarHBondContact O-N 3.24Å; S64-L68 VanDerWaalsContact O-N 3.07Å; S64-S88 VanDerWaalsContact CB-OG 3.24Å; S64-S88 WeakPolarHBondContact CB-OG 3.24Å; S64-S88 PolarHBondContact OG-OG 2.9Å
65V95.9Very high90.4Very high55 Ų5589.1 Ų89.133%0.33347%0.471SS..Hα-helixtrans-66-40174.3171.80000111.5F61 M67 L68 A69F61-V65 HydrophobicContact CD2-CG2 3.83Å; F61-V65 HydrophobicContact CE1-CG2 4.44Å; F61-V65 HydrophobicContact CE2-CG2 3.4Å; F61-V65 HydrophobicContact CG-CG2 4.5Å; F61-V65 HydrophobicContact CZ-CG2 3.75Å; F61-V65 WeakPolarHBondContact O-CG2 3.18Å; F61-V65 PolarHBondContact O-N 3.35Å; V65-M67 VanDerWaalsContact C-N 3.32Å; V65-M67 PolarHBondContact O-N 3.49Å; V65-L68 PolarHBondContact O-N 3.48Å; V65-A69 WeakPolarHBondContact O-CB 3.46Å; V65-A69 PolarHBondContact O-N 2.9Å
66G95.8Very high89Confident34 Ų3493.4 Ų93.435%0.35149%0.486SS..Hα-helixtrans-59.2-43174.500000112.2V62 V63 L68 A69 W70V62-G66 PolarHBondContact O-N 3.36Å; V63-G66 PolarHBondContact O-N 2.99Å; G66-L68 PolarHBondContact O-N 3.39Å; G66-A69 PolarHBondContact O-N 3.41Å; G66-W70 PolarHBondContact O-N 2.88Å
67M93.8Very high87.8Confident100 Ų10089.2 Ų89.249%0.49348%0.475SS..Hα-helixtrans-61.3-42.9174.7-71.3173.470.800112.3V63 S64 V65 W70 Q71 L84V63-M67 HydrophobicContact CG1-SD 4.26Å; V63-M67 WeakPolarHBondContact O-CG 3.22Å; V63-M67 PolarHBondContact O-N 3.26Å; S64-M67 WeakPolarHBondContact O-CB 3.24Å; S64-M67 PolarHBondContact O-N 2.97Å; V65-M67 VanDerWaalsContact C-N 3.32Å; V65-M67 PolarHBondContact O-N 3.49Å; M67-W70 PolarHBondContact O-N 3.49Å; M67-Q71 WeakPolarHBondContact O-CG 3.29Å; M67-Q71 PolarHBondContact O-NE2 3.45Å; M67-L84 HydrophobicContact CB-CD2 3.9Å; M67-L84 HydrophobicContact CE-CD2 4.43Å
68L92.3Very high87.1Confident46 Ų4690.2 Ų90.224%0.24149%0.487CS..Hα-helixtrans-65.6-41.9176-75169.4000112.5S64 V65 G66 W70 Q71 N81 L84S64-L68 PolarHBondContact O-N 3.24Å; S64-L68 VanDerWaalsContact O-N 3.07Å; V65-L68 PolarHBondContact O-N 3.48Å; G66-L68 PolarHBondContact O-N 3.39Å; L68-W70 PolarHBondContact O-N 3.14Å; L68-Q71 WeakPolarHBondContact O-CB 3.48Å; L68-Q71 PolarHBondContact O-N 3.5Å; L68-N81 HydrophobicContact CD2-CB 4.27Å; L68-L84 HydrophobicContact CD1-CG 4.26Å; L68-L84 HydrophobicContact CD2-CB 4.13Å; L68-L84 HydrophobicContact CD2-CD2 3.87Å; L68-L84 HydrophobicContact CD2-CG 4.07Å; L68-L84 HydrophobicContact CG-CB 4.46Å; L68-L84 HydrophobicContact CG-CD2 3.78Å; L68-L84 HydrophobicContact CG-CG 3.9Å
69A92.6Very high86.7Confident78 Ų7892.3 Ų92.365%0.64550%0.504SS*.Hα-helixtrans-63.2-25-179.700000112.8V65 G66V65-A69 WeakPolarHBondContact O-CB 3.46Å; V65-A69 PolarHBondContact O-N 2.9Å; G66-A69 PolarHBondContact O-N 3.41Å
70W90Very high86.3Confident230 Ų23091 Ų9187%0.87150%0.503SS*.THydrogen-bonded Turntrans-87-7.1173.3-79.9-1000114.6G66 M67 L68G66-W70 PolarHBondContact O-N 2.88Å; M67-W70 PolarHBondContact O-N 3.49Å; L68-W70 PolarHBondContact O-N 3.14Å
71Q85.4Confident86Confident83 Ų8390.2 Ų90.239%0.38850%0.496SS..SBendtrans-76.1147.9173.6-61.8-52.6-59.400111.2M67 L68M67-Q71 WeakPolarHBondContact O-CG 3.29Å; M67-Q71 PolarHBondContact O-NE2 3.45Å; L68-Q71 WeakPolarHBondContact O-CB 3.48Å; L68-Q71 PolarHBondContact O-N 3.5Å
72P79.6Confident85.7Confident105 Ų10591 Ų9168%0.68250%0.504SS*.  trans-56.9141.9170.522.4-31.3000110.5S74P72-S74 PolarHBondContact O-N 3.39Å
73R68.1Low85.5Confident253 Ų25392.9 Ų92.996%0.95551%0.511SS*.SBendtrans-60.111.3-164.1-69.2-177.3176172.9-1.6117.6L75R73-L75 PolarHBondContact O-N 2.96Å
74S68.4Low85.4Confident70 Ų7090.4 Ų90.449%0.4949%0.494SS..  trans-84.199.6170.1-1710000110.2P72 F76 G77P72-S74 PolarHBondContact O-N 3.39Å; S74-F76 PolarHBondContact O-N 3.01Å; S74-G77 PolarHBondContact O-N 3.37Å; S74-G77 PolarHBondContact OG-N 3.18Å
75L59.5Low85.2Confident148 Ų14891.4 Ų91.478%0.77551%0.506SS*.THydrogen-bonded Turntrans-57.5-30.3172.6-84160.3000112.5R73R73-L75 PolarHBondContact O-N 2.96Å
76F66.4Low85.3Confident187 Ų18794.3 Ų94.382%0.8252%0.519SS*.THydrogen-bonded Turntrans-102.331.4175.7-59-73.2000112.3S74S74-F76 PolarHBondContact O-N 3.01Å
77G72.1Confident85.3Confident33 Ų3397 Ų9734%0.3452%0.521SS..SBendtrans-71.6-12417400000111.6S74S74-G77 PolarHBondContact O-N 3.37Å; S74-G77 PolarHBondContact OG-N 3.18Å
78P83.8Confident85.5Confident74 Ų7492.5 Ų92.548%0.48150%0.5SS..SBendtrans-59.5139175.7-20.731.5000111.8G80 N81P78-G80 PolarHBondContact O-N 3.04Å; P78-N81 WeakPolarHBondContact O-CB 3.41Å; P78-N81 PolarHBondContact O-N 3.03Å
79P89.6Confident85.7Confident105 Ų10593.1 Ų93.168%0.68251%0.511SS*.Hα-helixtrans-52.4-29.3174-27.734.4000113.7N81 V82 L83P79-N81 VanDerWaalsContact C-N 3.28Å; P79-N81 PolarHBondContact O-N 3.47Å; P79-V82 PolarHBondContact O-N 3.35Å; P79-L83 PolarHBondContact O-N 3.05Å; P79-L83 VanDerWaalsContact O-N 3.16Å
80G90.3Very high86Confident43 Ų4395.5 Ų95.544%0.44351%0.509SS..Hα-helixtrans-59.6-32.9174.800000114.2P78 V82 L83 L84P78-G80 PolarHBondContact O-N 3.04Å; G80-V82 VanDerWaalsContact C-N 3.35Å; G80-L83 PolarHBondContact O-N 3.46Å; G80-L84 WeakPolarHBondContact O-CB 3.39Å; G80-L84 PolarHBondContact O-N 2.98Å
81N91.1Very high86.3Confident23 Ų2387.9 Ų87.912%0.12348%0.48CS..Hα-helixtrans-70.1-34.7177.4-69.71.7000111.4L68 P78 P79 L84 G85L68-N81 HydrophobicContact CD2-CB 4.27Å; P78-N81 WeakPolarHBondContact O-CB 3.41Å; P78-N81 PolarHBondContact O-N 3.03Å; P79-N81 VanDerWaalsContact C-N 3.28Å; P79-N81 PolarHBondContact O-N 3.47Å; N81-L84 PolarHBondContact O-N 2.85Å; N81-G85 PolarHBondContact O-N 3.17Å
82V92.1Very high86.9Confident66 Ų6691.3 Ų91.340%0.449%0.494SS..Hα-helixtrans-66.4-45.7175.2-179.40000110.1P79 G80 L84 G85 L86P79-V82 PolarHBondContact O-N 3.35Å; G80-V82 VanDerWaalsContact C-N 3.35Å; V82-L84 PolarHBondContact O-N 2.88Å; V82-G85 PolarHBondContact O-N 3.06Å; V82-L86 WeakPolarHBondContact O-CG 3.18Å; V82-L86 PolarHBondContact O-N 3.36Å
83L95.1Very high87.3Confident120 Ų12096.7 Ų96.763%0.62851%0.51SS*.Hα-helixtrans-62.1-42.1176.4-66.1175.6000112.1P79 G80 G85 L86 F87P79-L83 PolarHBondContact O-N 3.05Å; P79-L83 VanDerWaalsContact O-N 3.16Å; G80-L83 PolarHBondContact O-N 3.46Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 2.92Å; L83-L86 PolarHBondContact O-N 3.45Å; L83-F87 PolarHBondContact O-N 2.92Å
84L94.5Very high88.2Confident40 Ų4088.9 Ų88.921%0.20949%0.488CS..Hα-helixtrans-64.5-37.5175-174.662.1000111.6M67 L68 G80 N81 V82 F87 S88M67-L84 HydrophobicContact CB-CD2 3.9Å; M67-L84 HydrophobicContact CE-CD2 4.43Å; L68-L84 HydrophobicContact CD1-CG 4.26Å; L68-L84 HydrophobicContact CD2-CB 4.13Å; L68-L84 HydrophobicContact CD2-CD2 3.87Å; L68-L84 HydrophobicContact CD2-CG 4.07Å; L68-L84 HydrophobicContact CG-CB 4.46Å; L68-L84 HydrophobicContact CG-CD2 3.78Å; L68-L84 HydrophobicContact CG-CG 3.9Å; G80-L84 WeakPolarHBondContact O-CB 3.39Å; G80-L84 PolarHBondContact O-N 2.98Å; N81-L84 PolarHBondContact O-N 2.85Å; V82-L84 PolarHBondContact O-N 2.88Å; L84-F87 WeakPolarHBondContact O-CB 3.36Å; L84-F87 PolarHBondContact O-N 3.37Å; L84-S88 PolarHBondContact O-N 3.07Å; L84-S88 PolarHBondContact O-OG 3.28Å
85G93.8Very high89.3Confident27 Ų2789.9 Ų89.928%0.27849%0.488SS..Hα-helixtrans-62.4-41.8173.200000113.2N81 V82 L83 F87 S88 A89N81-G85 PolarHBondContact O-N 3.17Å; V82-G85 PolarHBondContact O-N 3.06Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 2.92Å; G85-F87 VanDerWaalsContact C-N 3.34Å; G85-S88 PolarHBondContact O-N 2.92Å; G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 3.23Å
86L96Very high90.9Very high115 Ų11586.7 Ų86.760%0.60247%0.472SS*.Hα-helixtrans-63.9-40174.1-68.3173.6000111.7V82 L83 A89 H90V82-L86 WeakPolarHBondContact O-CG 3.18Å; V82-L86 PolarHBondContact O-N 3.36Å; L83-L86 PolarHBondContact O-N 3.45Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-H90 PolarHBondContact O-N 3.41Å
87F97.5Very high92.4Very high90 Ų9080.8 Ų80.840%0.39545%0.451SS..Hα-helixtrans-61.6-47.5173.1-178.5-85.3000111.5S60 L83 L84 G85 A89 H90 Y91S60-F87 WeakPolarHBondContact O-CE1 3.34Å; L83-F87 PolarHBondContact O-N 2.92Å; L84-F87 WeakPolarHBondContact O-CB 3.36Å; L84-F87 PolarHBondContact O-N 3.37Å; G85-F87 VanDerWaalsContact C-N 3.34Å; F87-A89 VanDerWaalsContact C-N 3.33Å; F87-A89 PolarHBondContact O-N 3.02Å; F87-H90 WeakPolarHBondContact O-CB 3.26Å; F87-H90 PolarHBondContact O-N 3.07Å; F87-Y91 AromaticContact CD1-CD2 3.95Å; F87-Y91 HydrophobicContact CD1-CD2 3.95Å; F87-Y91 HydrophobicContact CD1-CE2 4.25Å; F87-Y91 HydrophobicContact CD2-CD2 4.36Å; F87-Y91 AromaticContact CD2-CE2 3.98Å; F87-Y91 HydrophobicContact CD2-CE2 3.98Å; F87-Y91 AromaticContact CE1-CD2 3.6Å; F87-Y91 HydrophobicContact CE1-CD2 3.6Å; F87-Y91 AromaticContact CE1-CE2 3.68Å; F87-Y91 HydrophobicContact CE1-CE2 3.68Å; F87-Y91 HydrophobicContact CE2-CD2 4.07Å; F87-Y91 AromaticContact CE2-CE2 3.39Å; F87-Y91 HydrophobicContact CE2-CE2 3.39Å; F87-Y91 HydrophobicContact CG-CD2 4.31Å; F87-Y91 HydrophobicContact CG-CE2 4.39Å; F87-Y91 AromaticContact CZ-CD2 3.68Å; F87-Y91 HydrophobicContact CZ-CD2 3.68Å; F87-Y91 AromaticContact CZ-CE2 3.2Å; F87-Y91 HydrophobicContact CZ-CE2 3.2Å; F87-Y91 WeakPolarHBondContact O-CD2 3.43Å; F87-Y91 PolarHBondContact O-N 3.42Å
88S96.9Very high93.6Very high7 Ų783.8 Ų83.85%0.04946%0.458CS..Hα-helixtrans-59.9-42.5175.5-63.70000112.4F61 S64 L84 G85 H90 Y91 F92F61-S88 WeakPolarHBondContact CD2-O 3.22Å; S64-S88 VanDerWaalsContact CB-OG 3.24Å; S64-S88 WeakPolarHBondContact CB-OG 3.24Å; S64-S88 PolarHBondContact OG-OG 2.9Å; L84-S88 PolarHBondContact O-N 3.07Å; L84-S88 PolarHBondContact O-OG 3.28Å; G85-S88 PolarHBondContact O-N 2.92Å; S88-H90 VanDerWaalsContact C-N 3.31Å; S88-H90 PolarHBondContact O-N 3.25Å; S88-Y91 PolarHBondContact O-N 3.33Å; S88-F92 PolarHBondContact O-N 3.04Å
89A97.2Very high94.3Very high58 Ų5884.4 Ų84.448%0.47946%0.457SS..Hα-helixtrans-63.8-36.9178.400000112.2G85 L86 F87 F92G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 3.23Å; L86-A89 PolarHBondContact O-N 3.44Å; F87-A89 VanDerWaalsContact C-N 3.33Å; F87-A89 PolarHBondContact O-N 3.02Å; A89-F92 PolarHBondContact O-N 3.14Å
90H97.9Very high94.6Very high129 Ų12982.9 Ų82.960%0.59744%0.441SS*.Hα-helixtrans-61.9-45.3174.9177.161.3000112.2L86 F87 S88 F92 H93L86-H90 PolarHBondContact O-N 3.41Å; F87-H90 WeakPolarHBondContact O-CB 3.26Å; F87-H90 PolarHBondContact O-N 3.07Å; S88-H90 VanDerWaalsContact C-N 3.31Å; S88-H90 PolarHBondContact O-N 3.25Å; H90-F92 VanDerWaalsContact C-N 3.3Å; H90-F92 PolarHBondContact O-N 3.28Å; H90-H93 PolarHBondContact O-N 3.05Å
91Y97.8Very high95Very high69 Ų6986 Ų8627%0.27144%0.44SS..Hα-helixtrans-80.5-6.8-179.6-78-80.4000114.6E57 S60 F87 S88E57-Y91 HydrophobicContact CB-CD1 4.41Å; E57-Y91 WeakPolarHBondContact OE2-CE1 3.48Å; S60-Y91 VanDerWaalsContact CB-CE1 3.47Å; F87-Y91 AromaticContact CD1-CD2 3.95Å; F87-Y91 HydrophobicContact CD1-CD2 3.95Å; F87-Y91 HydrophobicContact CD1-CE2 4.25Å; F87-Y91 HydrophobicContact CD2-CD2 4.36Å; F87-Y91 AromaticContact CD2-CE2 3.98Å; F87-Y91 HydrophobicContact CD2-CE2 3.98Å; F87-Y91 AromaticContact CE1-CD2 3.6Å; F87-Y91 HydrophobicContact CE1-CD2 3.6Å; F87-Y91 AromaticContact CE1-CE2 3.68Å; F87-Y91 HydrophobicContact CE1-CE2 3.68Å; F87-Y91 HydrophobicContact CE2-CD2 4.07Å; F87-Y91 AromaticContact CE2-CE2 3.39Å; F87-Y91 HydrophobicContact CE2-CE2 3.39Å; F87-Y91 HydrophobicContact CG-CD2 4.31Å; F87-Y91 HydrophobicContact CG-CE2 4.39Å; F87-Y91 AromaticContact CZ-CD2 3.68Å; F87-Y91 HydrophobicContact CZ-CD2 3.68Å; F87-Y91 AromaticContact CZ-CE2 3.2Å; F87-Y91 HydrophobicContact CZ-CE2 3.2Å; F87-Y91 WeakPolarHBondContact O-CD2 3.43Å; F87-Y91 PolarHBondContact O-N 3.42Å; S88-Y91 PolarHBondContact O-N 3.33Å
92F96.5Very high95.3Very high156 Ų15691.3 Ų91.368%0.68447%0.467SS*.Hα-helixtrans-79.2-28.4171.5-178.3-109.3000112.8F61 S88 A89 H90F61-F92 HydrophobicContact CD2-CB 3.95Å; F61-F92 HydrophobicContact CD2-CD2 4.49Å; F61-F92 HydrophobicContact CE1-CD2 4.1Å; F61-F92 HydrophobicContact CE2-CB 3.62Å; F61-F92 AromaticContact CE2-CD2 3.72Å; F61-F92 HydrophobicContact CE2-CD2 3.72Å; F61-F92 HydrophobicContact CE2-CG 4.06Å; F61-F92 HydrophobicContact CZ-CB 4.3Å; F61-F92 AromaticContact CZ-CD2 3.48Å; F61-F92 HydrophobicContact CZ-CD2 3.48Å; F61-F92 VanDerWaalsContact CZ-CD2 3.48Å; F61-F92 HydrophobicContact CZ-CE2 4.26Å; F61-F92 HydrophobicContact CZ-CG 4.27Å; S88-F92 PolarHBondContact O-N 3.04Å; A89-F92 PolarHBondContact O-N 3.14Å; H90-F92 VanDerWaalsContact C-N 3.3Å; H90-F92 PolarHBondContact O-N 3.28Å
93H88.2Confident95.6Very high218 Ų21893.5 Ų93.5100%1.00947%0.473SS*.  trans-920-173.3173.4-69.8000112H90H90-H93 PolarHBondContact O-N 3.05Å

Retrieved 93 of 93 residues in 159.9 ms (Link to these results)