A0A077Z816_TRITR Loading...

Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z816, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 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
1M51.8Low48.8Very low244 Ų244157.8 Ų157.8100%1.20284%0.844SS**  099.50-62.8-168.3178.800107.8
2T52.3Low48.7Very low136 Ų136158.3 Ų158.383%0.83483%0.834SS**  trans-94115-1733.70000109.5S4T2-S4 PolarHBondContact O-N 2.82Å
3V46.9Very low48.7Very low151 Ų151160.4 Ų160.492%0.91584%0.836SS**  trans-86.891.7174.6-166.70000108
4S43.2Very low48.5Very low104 Ų104157.7 Ų157.773%0.72782%0.824SS**  trans-92.7126170.7-67.90000109.4T2T2-S4 PolarHBondContact O-N 2.82Å
5R54Low48.5Very low239 Ų239149.6 Ų149.690%0.90279%0.789SS**  142.8101120.4-153.8165.4-147.4161.63.2111.6
6L57Low48.5Very low155 Ų155149.4 Ų149.481%0.81278%0.782SS**  trans-57.5128.2170.9-74.3149.5000111.8K8L6-K8 PolarHBondContact O-N 3.49Å
7N45Very low48.5Very low170 Ų170146.5 Ų146.591%0.90977%0.767SS**  trans-68.8105.3160.3-84.1-26.7000109.1
8K51.1Low48.9Very low162 Ų162146.4 Ų146.470%0.70476%0.763SS**  trans-138.368.7170.4-101.3-172.4176.8-176.40109.6L6L6-K8 PolarHBondContact O-N 3.49Å
9V46.4Very low48.9Very low139 Ų139148.1 Ų148.184%0.84276%0.758SS**  trans-144.168.3171.6-165.50000109.8
10S44.1Very low48.9Very low109 Ų109147 Ų14776%0.76275%0.754SS**SBendtrans-154.5-2.6169.633.40000115.9
11D45.1Very low49.3Very low127 Ų127149.4 Ų149.468%0.67975%0.753SS**SBendtrans-104.73.6-171.7-65.5-43.8000116
12F47.2Very low49.6Very low164 Ų164142.3 Ų142.372%0.71973%0.728SS**SBendtrans-960.4-163.5-74.8-75.4000117.8
13Q48.8Very low49.9Very low185 Ų185143.2 Ų143.286%0.86473%0.727SS**SBendtrans-115.4-4.1-177.1-69.2-175.6-3.100115.8
14N45.7Very low49.9Very low123 Ų123138.7 Ų138.766%0.65870%0.701SS**SBendtrans-109.5-10.1179.2-149.629.2000113.5
15A48.6Very low50.4Low36 Ų36138 Ų13830%0.29871%0.711SS.*SBendtrans-82.4-17.8179.100000114.1
16E48.5Very low50.5Low146 Ų146132.1 Ų132.168%0.68270%0.701SS**Hα-helixtrans-80.5-25.6-179.3-63.3-168.7136.700112.8
17N49.4Very low50.6Low100 Ų100136.3 Ų136.354%0.53571%0.707SS.*Hα-helixtrans-83.6-18-178-165.131.2000113.2
18E54.5Low51.3Low146 Ų146133.5 Ų133.568%0.68269%0.689SS**Hα-helixtrans-89.5-32.3175-71-175.7166.100112.5N20E18-N20 VanDerWaalsContact C-N 3.31Å; E18-N20 PolarHBondContact O-N 2.82Å
19R50Low52.2Low178 Ų178135.7 Ų135.767%0.67270%0.699SS**Hα-helixtrans-69.7-24.9175.7-70-176.5-142.3171.25.3113.9R21R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.23Å
20N49.1Very low53.6Low126 Ų126138.4 Ų138.467%0.67470%0.699SS**THydrogen-bonded Turntrans-81.1-0.4-177.1-135-8.8000114.1E18E18-N20 VanDerWaalsContact C-N 3.31Å; E18-N20 PolarHBondContact O-N 2.82Å
21R55.8Low55.1Low198 Ų198143.3 Ų143.375%0.74770%0.701SS**THydrogen-bonded Turntrans-92.6-14177.5-82-171.6-178.1-157.42.6114.6R19R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.23Å
22S58.2Low57.1Low95 Ų95143 Ų14366%0.66470%0.704SS**SBendtrans-111.41.9-167.61.70000114.9
23L59.8Low58.9Low155 Ų155146.5 Ų146.581%0.81271%0.712SS**SBendtrans-12810.8-167.8-74.7170.3000117.1
24S47.4Very low60.7Low55 Ų55142.9 Ų142.939%0.38570%0.702SS.*  trans-132.691.9177.449.40000113.6V26 M28S24-V26 PolarHBondContact O-N 2.9Å; S24-M28 WeakPolarHBondContact OG-CE 3.49Å
25G51.9Low63Low90 Ų90144.7 Ų144.793%0.92871%0.711SS**  trans-68.540.1165.800000114.3
26V57.4Low65.2Low116 Ų116145.8 Ų145.870%0.70371%0.709SS**SBendtrans-131.298.3178.6-176.30000108.2S24 M28S24-V26 PolarHBondContact O-N 2.9Å; V26-M28 PolarHBondContact O-N 3.44Å; V26-M28 VanDerWaalsContact O-N 3.08Å
27R58.4Low67.5Low243 Ų243141.8 Ų141.892%0.91770%0.698SS**  trans29.967.5166.4-59.9-177.6-174.5-173.51.9114.4K29R27-K29 PolarHBondContact O-N 3.5Å
28M60.9Low69.8Low111 Ų111140.7 Ų140.755%0.54770%0.703SS.*  trans-51103.8174.9-74.6-79.4-171.300110.1S24 V26 K30S24-M28 WeakPolarHBondContact OG-CE 3.49Å; V26-M28 PolarHBondContact O-N 3.44Å; V26-M28 VanDerWaalsContact O-N 3.08Å; M28-K30 PolarHBondContact O-N 3.07Å
29K68.6Low71.8Confident207 Ų207140.3 Ų140.390%0.970%0.701SS**  trans-54.7112.2172.8-77.3175.5176.7174.10107.3R27 R31R27-K29 PolarHBondContact O-N 3.5Å; K29-R31 PolarHBondContact O-N 3.03Å
30K76.1Confident74.1Confident196 Ų196133.8 Ų133.885%0.85268%0.678SS**PPolyproline II helixtrans-52119.8176.8-72.9176.9-178.1170.20107.8M28 V32M28-K30 PolarHBondContact O-N 3.07Å; K30-V32 PolarHBondContact O-N 3.47Å; K30-V32 VanDerWaalsContact O-N 3.13Å
31R76Confident76.4Confident212 Ų212130 Ų13080%0.866%0.659SS**PPolyproline II helixtrans-54.1122.5177.9-170.6174.6-175.4150.11.5108.6K29 R33K29-R31 PolarHBondContact O-N 3.03Å; R31-R33 PolarHBondContact O-N 3.24Å
32V86.2Confident78.4Confident122 Ų122123.9 Ų123.974%0.73964%0.644SS**PPolyproline II helixtrans-57.7132.6178.9177.40000108.8K30 V34K30-V32 PolarHBondContact O-N 3.47Å; K30-V32 VanDerWaalsContact O-N 3.13Å; V32-V34 PolarHBondContact O-N 2.76Å
33R85.5Confident80.3Confident236 Ų236122.6 Ų122.689%0.89163%0.628SS**PPolyproline II helixtrans-72.3116.2173.5-67-174.3-178.5-1731.8107.9R31R31-R33 PolarHBondContact O-N 3.24Å
34V87.3Confident82.1Confident110 Ų110115.2 Ų115.267%0.66759%0.589SS**PPolyproline II helixtrans-96.3132171.9-179.60000108.1V32V32-V34 PolarHBondContact O-N 2.76Å
35L92.9Very high84.5Confident161 Ų161116.8 Ų116.884%0.84359%0.591SS**PPolyproline II helixtrans-91.4144.4173-60.2178.9000109.6
36F94.8Very high86.7Confident58 Ų58118.7 Ų118.725%0.25457%0.574SS.*PPolyproline II helixtrans-78.9147.1169.7-57.7-41.9000109.9Q40 V41 L44 L68 Q72 W76F36-Q40 HydrophobicContact CB-CB 4.14Å; F36-V41 HydrophobicContact CB-CG2 3.92Å; F36-L44 HydrophobicContact CD2-CD1 4.25Å; F36-L68 HydrophobicContact CD1-CD1 4.15Å; F36-L68 HydrophobicContact CD1-CD2 3.79Å; F36-L68 HydrophobicContact CE1-CD1 4.07Å; F36-L68 HydrophobicContact CE1-CD2 3.7Å; F36-L68 HydrophobicContact CZ-CD1 4.45Å; F36-Q72 HydrophobicContact CE1-CB 4.4Å; F36-Q72 HydrophobicContact CE1-CG 4.45Å; F36-Q72 HydrophobicContact CZ-CB 4.07Å; F36-Q72 HydrophobicContact CZ-CG 4.35Å; F36-W76 AromaticContact CD2-CD1 3.89Å; F36-W76 HydrophobicContact CE2-CB 4.32Å; F36-W76 AromaticContact CE2-CD1 3.71Å; F36-W76 HydrophobicContact CE2-CG 4.34Å
37S96.9Very high88.7Confident63 Ų63116.1 Ų116.144%0.44155%0.551SS.*PPolyproline II helixtrans-59.9153171168.40000110.9E39 Q40 V41S37-E39 PolarHBondContact O-N 3.31Å; S37-E39 PolarHBondContact OG-N 3.13Å; S37-Q40 WeakPolarHBondContact O-CB 3.45Å; S37-Q40 PolarHBondContact O-N 3.33Å; S37-Q40 VanDerWaalsContact O-N 3.1Å; S37-V41 WeakPolarHBondContact O-CG2 3.37Å; S37-V41 PolarHBondContact O-N 3.28Å
38A97.2Very high90.5Very high77 Ų77104.7 Ų104.764%0.63651%0.508SS*.Hα-helixtrans-56-36.7175.300000112.4V41 T42A38-V41 PolarHBondContact O-N 3.26Å; A38-T42 WeakPolarHBondContact O-CB 3.5Å; A38-T42 PolarHBondContact O-N 3.48Å; A38-T42 PolarHBondContact O-OG1 2.77Å
39E97.4Very high92.3Very high138 Ų138106.5 Ų106.565%0.64552%0.515SS*.Hα-helixtrans-64.1-46.4175.7-175.8-175.6-17000111.4S37 V41 T42 M43S37-E39 PolarHBondContact O-N 3.31Å; S37-E39 PolarHBondContact OG-N 3.13Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-T42 PolarHBondContact O-N 3.33Å; E39-M43 HydrophobicContact CG-SD 4.49Å; E39-M43 WeakPolarHBondContact O-CG 3.48Å; E39-M43 PolarHBondContact O-N 2.77Å
40Q97.7Very high93.6Very high41 Ų41103.5 Ų103.519%0.19251%0.508CS..Hα-helixtrans-59.5-45.4177.4-69.2174.8-3900110.8F36 S37 M43 L44 L66F36-Q40 HydrophobicContact CB-CB 4.14Å; S37-Q40 WeakPolarHBondContact O-CB 3.45Å; S37-Q40 PolarHBondContact O-N 3.33Å; S37-Q40 VanDerWaalsContact O-N 3.1Å; Q40-M43 PolarHBondContact O-N 2.95Å; Q40-L44 WeakPolarHBondContact O-CB 3.39Å; Q40-L44 WeakPolarHBondContact O-CD1 3.42Å; Q40-L44 VanDerWaalsContact O-CG 3.25Å; Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.35Å; Q40-L66 PolarHBondContact NE2-O 3.4Å
41V97.6Very high94.6Very high46 Ų4697 Ų9728%0.27948%0.481SS..Hα-helixtrans-62-44.5177.4177.10000111.1F36 S37 A38 E39 M43 L44 E45F36-V41 HydrophobicContact CB-CG2 3.92Å; S37-V41 WeakPolarHBondContact O-CG2 3.37Å; S37-V41 PolarHBondContact O-N 3.28Å; A38-V41 PolarHBondContact O-N 3.26Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.29Å; V41-M43 PolarHBondContact O-N 3.01Å; V41-L44 WeakPolarHBondContact O-CB 3.45Å; V41-L44 PolarHBondContact O-N 3.09Å; V41-E45 HydrophobicContact CG1-CG 4.49Å; V41-E45 WeakPolarHBondContact O-CG 3.32Å; V41-E45 PolarHBondContact O-N 3.11Å
42T98Very high95.6Very high69 Ų6990.1 Ų90.142%0.42346%0.458SS..Hα-helixtrans-60.1-45.5178.8-59.30000111.6A38 E39 E45 K46A38-T42 WeakPolarHBondContact O-CB 3.5Å; A38-T42 PolarHBondContact O-N 3.48Å; A38-T42 PolarHBondContact O-OG1 2.77Å; E39-T42 PolarHBondContact O-N 3.33Å; T42-E45 PolarHBondContact O-N 3.15Å; T42-K46 HydrophobicContact CG2-CD 4.42Å; T42-K46 WeakPolarHBondContact O-CG 3.46Å; T42-K46 PolarHBondContact O-N 2.81Å
43M97.8Very high96.2Very high68 Ų6891.8 Ų91.834%0.33545%0.452SS..Hα-helixtrans-66-41177.2-70.1-178.269.100112.3E39 Q40 V41 E45 K46 R47 F62 L66E39-M43 HydrophobicContact CG-SD 4.49Å; E39-M43 WeakPolarHBondContact O-CG 3.48Å; E39-M43 PolarHBondContact O-N 2.77Å; Q40-M43 PolarHBondContact O-N 2.95Å; V41-M43 PolarHBondContact O-N 3.01Å; M43-E45 VanDerWaalsContact C-N 3.32Å; M43-E45 PolarHBondContact O-N 3.36Å; M43-K46 PolarHBondContact O-N 2.92Å; M43-R47 PolarHBondContact O-N 3.31Å; M43-F62 HydrophobicContact CB-CZ 4.32Å; M43-L66 HydrophobicContact CB-CD2 3.72Å; M43-L66 HydrophobicContact CE-CD2 3.61Å; M43-L66 HydrophobicContact CG-CD2 4.16Å; M43-L66 HydrophobicContact SD-CD2 3.39Å; M43-L66 WeakPolarHBondContact SD-CD2 3.3Å
44L98.3Very high96.7Very high0 Ų081.4 Ų81.40%041%0.414CS..Hα-helixtrans-58.4-43.9174.5-78.4158.9000111.2F36 Q40 V41 R47 F48 F62 L66 L68 V73 W76 F77F36-L44 HydrophobicContact CD2-CD1 4.25Å; Q40-L44 WeakPolarHBondContact O-CB 3.39Å; Q40-L44 WeakPolarHBondContact O-CD1 3.42Å; Q40-L44 VanDerWaalsContact O-CG 3.25Å; Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.35Å; V41-L44 WeakPolarHBondContact O-CB 3.45Å; V41-L44 PolarHBondContact O-N 3.09Å; L44-R47 PolarHBondContact O-N 3.04Å; L44-F48 WeakPolarHBondContact O-CB 3.34Å; L44-F48 PolarHBondContact O-N 3.09Å; L44-F62 HydrophobicContact CD2-CD1 4.44Å; L44-F62 HydrophobicContact CD2-CE1 3.73Å; L44-F62 HydrophobicContact CG-CE1 4.23Å; L44-L66 HydrophobicContact CD1-CD1 4.36Å; L44-L66 HydrophobicContact CD2-CD1 3.99Å; L44-L66 HydrophobicContact CG-CD1 3.72Å; L44-L68 HydrophobicContact CD1-CD1 4.38Å; L44-V73 HydrophobicContact CD2-CG1 4.4Å; L44-W76 VanDerWaalsContact C-CH2 3.44Å; L44-W76 HydrophobicContact CB-CD2 3.89Å; L44-W76 HydrophobicContact CB-CE3 3.93Å; L44-W76 HydrophobicContact CB-CH2 3.62Å; L44-W76 HydrophobicContact CB-CZ2 3.54Å; L44-W76 HydrophobicContact CB-CZ3 3.81Å; L44-W76 HydrophobicContact CD1-CD2 3.96Å; L44-W76 HydrophobicContact CD1-CG 3.94Å; L44-W76 HydrophobicContact CD2-CB 4.5Å; L44-W76 HydrophobicContact CD2-CD2 3.84Å; L44-W76 HydrophobicContact CD2-CE3 3.74Å; L44-W76 HydrophobicContact CD2-CG 4.17Å; L44-W76 HydrophobicContact CD2-CZ3 4.3Å; L44-W76 HydrophobicContact CG-CD2 4.12Å; L44-W76 HydrophobicContact CG-CE3 4.32Å; L44-W76 WeakPolarHBondContact O-CH2 3.46Å; L44-F77 HydrophobicContact CD2-CE2 4.08Å
45E98.2Very high97.2Very high88 Ų8878.9 Ų78.941%0.41140%0.401SS..Hα-helixtrans-66.3-44.9176.9-73.8-170.3174.800112.9V41 T42 M43 R47 F48 Q49 W76V41-E45 HydrophobicContact CG1-CG 4.49Å; V41-E45 WeakPolarHBondContact O-CG 3.32Å; V41-E45 PolarHBondContact O-N 3.11Å; T42-E45 PolarHBondContact O-N 3.15Å; M43-E45 VanDerWaalsContact C-N 3.32Å; M43-E45 PolarHBondContact O-N 3.36Å; E45-R47 VanDerWaalsContact C-N 3.33Å; E45-R47 PolarHBondContact O-N 3.44Å; E45-F48 WeakPolarHBondContact O-CB 3.17Å; E45-F48 PolarHBondContact O-N 2.94Å; E45-F48 VanDerWaalsContact O-N 3.15Å; E45-Q49 WeakPolarHBondContact O-CG 3.07Å; E45-Q49 PolarHBondContact O-N 3.1Å; E45-W76 HydrophobicContact CG-CH2 3.98Å; E45-W76 HydrophobicContact CG-CZ2 3.87Å
46K98Very high97.4Very high131 Ų13174.2 Ų74.257%0.5739%0.385SS*.Hα-helixtrans-56.4-46.9174.6-75178.4179-178.10111.3T42 M43 F48 Q49 L50T42-K46 HydrophobicContact CG2-CD 4.42Å; T42-K46 WeakPolarHBondContact O-CG 3.46Å; T42-K46 PolarHBondContact O-N 2.81Å; M43-K46 PolarHBondContact O-N 2.92Å; K46-F48 VanDerWaalsContact C-N 3.34Å; K46-F48 PolarHBondContact O-N 2.9Å; K46-Q49 PolarHBondContact O-N 2.94Å; K46-L50 PolarHBondContact O-N 3.32Å
47R97.7Very high97.5Very high61 Ų6174.9 Ų74.923%0.2340%0.402CS..Hα-helixtrans-64.7-38.8177.4-171.560.4160.3140.94.9111.7M43 L44 E45 L50 Q51 L54 E58 F62 F77M43-R47 PolarHBondContact O-N 3.31Å; L44-R47 PolarHBondContact O-N 3.04Å; E45-R47 VanDerWaalsContact C-N 3.33Å; E45-R47 PolarHBondContact O-N 3.44Å; R47-L50 PolarHBondContact O-N 2.9Å; R47-Q51 PolarHBondContact O-N 2.88Å; R47-L54 HydrophobicContact CG-CD2 4.16Å; R47-E58 IonicContact CZ-OE1 2.96Å; R47-E58 IonicContact NH2-OE1 3.54Å; R47-E58 PolarHBondContact NH2-OE1 3.44Å; R47-F62 HydrophobicContact CB-CE1 4.05Å; R47-F62 HydrophobicContact CB-CE2 4.05Å; R47-F62 HydrophobicContact CB-CZ 3.64Å; R47-F62 HydrophobicContact CG-CD1 4.48Å; R47-F62 HydrophobicContact CG-CD2 4.44Å; R47-F62 HydrophobicContact CG-CE1 4.22Å; R47-F62 HydrophobicContact CG-CE2 4.2Å; R47-F62 HydrophobicContact CG-CZ 4.08Å; R47-F77 HydrophobicContact CB-CZ 4.43Å; R47-F77 HydrophobicContact CG-CZ 4.16Å
48F98.1Very high97.5Very high3 Ų374 Ų741%0.01339%0.391CS..Hα-helixtrans-62.4-42.1176.7-175.5-99.9000112.4L44 E45 K46 L50 Q51 H52 W76 F77 R80 R81 F84L44-F48 WeakPolarHBondContact O-CB 3.34Å; L44-F48 PolarHBondContact O-N 3.09Å; E45-F48 WeakPolarHBondContact O-CB 3.17Å; E45-F48 PolarHBondContact O-N 2.94Å; E45-F48 VanDerWaalsContact O-N 3.15Å; K46-F48 VanDerWaalsContact C-N 3.34Å; K46-F48 PolarHBondContact O-N 2.9Å; F48-L50 PolarHBondContact O-N 3.2Å; F48-Q51 CarbonylContact O-C 3.43Å; F48-Q51 VanDerWaalsContact O-C 3.28Å; F48-Q51 PolarHBondContact O-N 3.49Å; F48-H52 AromaticContact CD1-CD2 3.58Å; F48-H52 AromaticContact CD1-NE2 3.95Å; F48-H52 AromaticContact CD2-CD2 3.9Å; F48-H52 AromaticContact CE1-CD2 3.23Å; F48-H52 WeakPolarHBondContact CE1-CD2 3.44Å; F48-H52 AromaticContact CE1-NE2 3.48Å; F48-H52 WeakPolarHBondContact CE1-NE2 3.45Å; F48-H52 HydrophobicContact CE2-CB 3.96Å; F48-H52 AromaticContact CE2-CD2 3.58Å; F48-H52 AromaticContact CG-CD2 3.9Å; F48-H52 HydrophobicContact CZ-CB 4.23Å; F48-H52 AromaticContact CZ-CD2 3.23Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.49Å; F48-H52 AromaticContact CZ-CG 3.85Å; F48-H52 AromaticContact CZ-NE2 3.83Å; F48-H52 PolarHBondContact O-CD2 3.16Å; F48-W76 HydrophobicContact CB-CH2 4.12Å; F48-W76 HydrophobicContact CB-CZ3 4Å; F48-W76 HydrophobicContact CD2-CZ3 4.38Å; F48-W76 HydrophobicContact CG-CZ3 4.38Å; F48-F77 HydrophobicContact CB-CE1 4.29Å; F48-F77 HydrophobicContact CB-CZ 4.5Å; F48-F77 AromaticContact CD2-CD1 3.88Å; F48-F77 HydrophobicContact CD2-CD1 3.88Å; F48-F77 AromaticContact CD2-CE1 3.85Å; F48-F77 HydrophobicContact CD2-CE1 3.85Å; F48-R80 HydrophobicContact CB-CG 4.46Å; F48-R80 HydrophobicContact CD1-CG 3.64Å; F48-R80 HydrophobicContact CD2-CB 4.18Å; F48-R80 HydrophobicContact CD2-CG 3.61Å; F48-R80 HydrophobicContact CE1-CG 3.65Å; F48-R80 HydrophobicContact CE2-CB 4.08Å; F48-R80 HydrophobicContact CE2-CG 3.63Å; F48-R80 HydrophobicContact CG-CG 3.62Å; F48-R80 HydrophobicContact CZ-CB 4.41Å; F48-R80 HydrophobicContact CZ-CG 3.64Å; F48-R81 HydrophobicContact CE2-CG 3.79Å; F48-R81 HydrophobicContact CZ-CG 4.23Å; F48-F84 HydrophobicContact CE1-CB 4.43Å; F48-F84 HydrophobicContact CE1-CD2 4.46Å; F48-F84 HydrophobicContact CE1-CG 4.49Å; F48-F84 HydrophobicContact CZ-CB 4.22Å; F48-F84 HydrophobicContact CZ-CG 4.46Å
49Q97Very high97.5Very high149 Ų14973.1 Ų73.170%0.69637%0.371SS*.Hα-helixtrans-59.9-34.2177.4-73.1173.4-3000112.6E45 K46E45-Q49 WeakPolarHBondContact O-CG 3.07Å; E45-Q49 PolarHBondContact O-N 3.1Å; K46-Q49 PolarHBondContact O-N 2.94Å
50L97.2Very high97.6Very high144 Ų14469.9 Ų69.975%0.75436%0.358SS*.Hα-helixtrans-76.4-42.1175.3-61174.7000111.8K46 R47 F48K46-L50 PolarHBondContact O-N 3.32Å; R47-L50 PolarHBondContact O-N 2.9Å; F48-L50 PolarHBondContact O-N 3.2Å
51Q97.1Very high97.6Very high61 Ų6172.4 Ų72.429%0.28537%0.37SS..  trans-149.8111.5-172.8-171.1175.7-52.700111.2R47 F48 Y53 E58 F77R47-Q51 PolarHBondContact O-N 2.88Å; F48-Q51 CarbonylContact O-C 3.43Å; F48-Q51 VanDerWaalsContact O-C 3.28Å; F48-Q51 PolarHBondContact O-N 3.49Å; Q51-Y53 VanDerWaalsContact C-N 3.26Å; Q51-Y53 VanDerWaalsContact CG-O 3.24Å; Q51-Y53 WeakPolarHBondContact CG-O 3.25Å; Q51-Y53 PolarHBondContact NE2-O 2.91Å; Q51-Y53 PolarHBondContact O-N 3.1Å; Q51-E58 VanDerWaalsContact NE2-CD 3.32Å; Q51-E58 PolarHBondContact NE2-OE1 3.02Å; Q51-E58 PolarHBondContact NE2-OE2 2.99Å; Q51-E58 PolarHBondContact OE1-OE1 2.9Å; Q51-F77 WeakPolarHBondContact O-CE1 3.49Å
52H97Very high97.5Very high67 Ų6770.9 Ų70.931%0.3136%0.36SS..SBendtrans-72.6-14.7-178.3-65.6151.7000114.5F48 R81 F84F48-H52 AromaticContact CD1-CD2 3.58Å; F48-H52 AromaticContact CD1-NE2 3.95Å; F48-H52 AromaticContact CD2-CD2 3.9Å; F48-H52 AromaticContact CE1-CD2 3.23Å; F48-H52 WeakPolarHBondContact CE1-CD2 3.44Å; F48-H52 AromaticContact CE1-NE2 3.48Å; F48-H52 WeakPolarHBondContact CE1-NE2 3.45Å; F48-H52 HydrophobicContact CE2-CB 3.96Å; F48-H52 AromaticContact CE2-CD2 3.58Å; F48-H52 AromaticContact CG-CD2 3.9Å; F48-H52 HydrophobicContact CZ-CB 4.23Å; F48-H52 AromaticContact CZ-CD2 3.23Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.49Å; F48-H52 AromaticContact CZ-CG 3.85Å; F48-H52 AromaticContact CZ-NE2 3.83Å; F48-H52 PolarHBondContact O-CD2 3.16Å; H52-R81 WeakPolarHBondContact O-CD 3.25Å; H52-F84 AromaticContact CE1-CZ 3.96Å
53Y98Very high97.5Very high157 Ų15767.7 Ų67.762%0.61634%0.34SS*.SBendtrans-134.8114.8-176.4-64.7-104.4000110.1Q51 R81Q51-Y53 VanDerWaalsContact C-N 3.26Å; Q51-Y53 VanDerWaalsContact CG-O 3.24Å; Q51-Y53 WeakPolarHBondContact CG-O 3.25Å; Q51-Y53 PolarHBondContact NE2-O 2.91Å; Q51-Y53 PolarHBondContact O-N 3.1Å; Y53-R81 VanDerWaalsContact CD1-NH1 3.26Å
54L96.6Very high97.5Very high18 Ų1872.6 Ų72.69%0.09436%0.36CS..  trans-92.7135.3176.4-64.2178.5000111.5R47 E58 R59 F62 V73 F77R47-L54 HydrophobicContact CG-CD2 4.16Å; L54-E58 HydrophobicContact CB-CB 4.49Å; L54-E58 HydrophobicContact CD2-CB 4.29Å; L54-R59 HydrophobicContact CB-CB 4.34Å; L54-R59 PolarHBondContact O-NH2 3.46Å; L54-F62 HydrophobicContact CD1-CD1 4.44Å; L54-V73 HydrophobicContact CD1-CG1 4.06Å; L54-F77 HydrophobicContact CD1-CD1 4.47Å; L54-F77 HydrophobicContact CD1-CD2 3.99Å; L54-F77 HydrophobicContact CD1-CE1 3.95Å; L54-F77 HydrophobicContact CD1-CE2 3.4Å; L54-F77 HydrophobicContact CD1-CG 4.5Å; L54-F77 HydrophobicContact CD1-CZ 3.38Å; L54-F77 HydrophobicContact CD2-CE1 4.45Å; L54-F77 HydrophobicContact CD2-CZ 4.33Å; L54-F77 HydrophobicContact CG-CD1 4.25Å; L54-F77 HydrophobicContact CG-CE1 3.74Å; L54-F77 HydrophobicContact CG-CE2 4.14Å; L54-F77 HydrophobicContact CG-CZ 3.69Å
55S97.2Very high97.5Very high57 Ų5780.3 Ų80.340%0.39939%0.389SS..  trans-63.7170.4166.469.10000111.2E58 R59S55-E58 VanDerWaalsContact CB-OE2 3.29Å; S55-E58 WeakPolarHBondContact CB-OE2 3.49Å; S55-E58 PolarHBondContact N-OE2 2.83Å; S55-E58 WeakPolarHBondContact OG-CB 3.46Å; S55-E58 VanDerWaalsContact OG-CD 3.32Å; S55-E58 WeakPolarHBondContact OG-CG 3.5Å; S55-E58 PolarHBondContact OG-N 2.97Å; S55-E58 PolarHBondContact OG-OE2 3.49Å; S55-R59 VanDerWaalsContact O-CB 3.28Å; S55-R59 WeakPolarHBondContact O-CB 3.39Å; S55-R59 PolarHBondContact O-N 3.26Å; S55-R59 VanDerWaalsContact O-N 3.12Å
56A96.8Very high97.4Very high62 Ų6276.6 Ų76.651%0.51237%0.371SS..Hα-helixtrans-61.7-49.8179.100000111.6E58 R59 D60A56-E58 PolarHBondContact O-N 3.3Å; A56-R59 WeakPolarHBondContact O-CB 3.48Å; A56-R59 PolarHBondContact O-N 3.32Å; A56-D60 PolarHBondContact O-N 2.93Å
57A97.4Very high97.3Very high72 Ų7279.4 Ų79.460%0.59538%0.384SS*.Hα-helixtrans-60.9-47-179.200000112.4R59 D60 E61A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 3.3Å; A57-D60 PolarHBondContact O-N 3.41Å; A57-E61 PolarHBondContact O-N 2.92Å
58E97.4Very high97.2Very high44 Ų4477.7 Ų77.721%0.20638%0.379CS..Hα-helixtrans-63.5-34.8178.8-67.8173104.800112.4R47 Q51 L54 S55 A56 F62R47-E58 IonicContact CZ-OE1 2.96Å; R47-E58 IonicContact NH2-OE1 3.54Å; R47-E58 PolarHBondContact NH2-OE1 3.44Å; Q51-E58 VanDerWaalsContact NE2-CD 3.32Å; Q51-E58 PolarHBondContact NE2-OE1 3.02Å; Q51-E58 PolarHBondContact NE2-OE2 2.99Å; Q51-E58 PolarHBondContact OE1-OE1 2.9Å; L54-E58 HydrophobicContact CB-CB 4.49Å; L54-E58 HydrophobicContact CD2-CB 4.29Å; S55-E58 VanDerWaalsContact CB-OE2 3.29Å; S55-E58 WeakPolarHBondContact CB-OE2 3.49Å; S55-E58 PolarHBondContact N-OE2 2.83Å; S55-E58 WeakPolarHBondContact OG-CB 3.46Å; S55-E58 VanDerWaalsContact OG-CD 3.32Å; S55-E58 WeakPolarHBondContact OG-CG 3.5Å; S55-E58 PolarHBondContact OG-N 2.97Å; S55-E58 PolarHBondContact OG-OE2 3.49Å; A56-E58 PolarHBondContact O-N 3.3Å; E58-F62 WeakPolarHBondContact O-CB 3.49Å; E58-F62 PolarHBondContact O-N 3.39Å
59R97.9Very high97.2Very high60 Ų6081.2 Ų81.223%0.22640%0.401CS..Hα-helixtrans-67.2-43.8177.7-169.9-170.5-45.9144.88.6111.1L54 S55 A56 A57 F62 A63 S70 V73L54-R59 HydrophobicContact CB-CB 4.34Å; L54-R59 PolarHBondContact O-NH2 3.46Å; S55-R59 VanDerWaalsContact O-CB 3.28Å; S55-R59 WeakPolarHBondContact O-CB 3.39Å; S55-R59 PolarHBondContact O-N 3.26Å; S55-R59 VanDerWaalsContact O-N 3.12Å; A56-R59 WeakPolarHBondContact O-CB 3.48Å; A56-R59 PolarHBondContact O-N 3.32Å; A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 3.3Å; R59-F62 PolarHBondContact O-N 3.31Å; R59-A63 WeakPolarHBondContact O-CB 3.23Å; R59-A63 PolarHBondContact O-N 3.37Å; R59-S70 WeakPolarHBondContact CD-O 3.44Å; R59-V73 HydrophobicContact CG-CB 3.9Å; R59-V73 HydrophobicContact CG-CG1 3.77Å
60D97.9Very high97.2Very high69 Ų6975.9 Ų75.937%0.36938%0.38SS..Hα-helixtrans-64.9-42.9179.2-67.2-22.4000111.1A56 A57 A63 K64 S70A56-D60 PolarHBondContact O-N 2.93Å; A57-D60 PolarHBondContact O-N 3.41Å; D60-A63 PolarHBondContact O-N 3.32Å; D60-K64 WeakPolarHBondContact O-CG 3.48Å; D60-K64 PolarHBondContact O-N 3.15Å; D60-K64 VanDerWaalsContact O-N 3.14Å; D60-S70 WeakPolarHBondContact OD1-CB 3.42Å; D60-S70 PolarHBondContact OD1-OG 2.8Å
61E97.7Very high97.1Very high95 Ų9574.1 Ų74.144%0.44437%0.368SS..Hα-helixtrans-62.1-48.1175.1-172.5-175.6-174.900111.7A57 A63 K64 R65A57-E61 PolarHBondContact O-N 2.92Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 3.21Å; E61-K64 PolarHBondContact O-N 3.41Å; E61-R65 PolarHBondContact O-N 2.96Å; E61-R65 IonicContact OE1-CZ 3.92Å; E61-R65 IonicContact OE1-NE 3.75Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 3.25Å
62F97.2Very high97.1Very high14 Ų1474 Ų746%0.06137%0.367CS..Hα-helixtrans-66.6-36.4-179.2-167.3-118.7000112.5M43 L44 R47 L54 E58 R59 K64 R65 L66 V73M43-F62 HydrophobicContact CB-CZ 4.32Å; L44-F62 HydrophobicContact CD2-CD1 4.44Å; L44-F62 HydrophobicContact CD2-CE1 3.73Å; L44-F62 HydrophobicContact CG-CE1 4.23Å; R47-F62 HydrophobicContact CB-CE1 4.05Å; R47-F62 HydrophobicContact CB-CE2 4.05Å; R47-F62 HydrophobicContact CB-CZ 3.64Å; R47-F62 HydrophobicContact CG-CD1 4.48Å; R47-F62 HydrophobicContact CG-CD2 4.44Å; R47-F62 HydrophobicContact CG-CE1 4.22Å; R47-F62 HydrophobicContact CG-CE2 4.2Å; R47-F62 HydrophobicContact CG-CZ 4.08Å; L54-F62 HydrophobicContact CD1-CD1 4.44Å; E58-F62 WeakPolarHBondContact O-CB 3.49Å; E58-F62 PolarHBondContact O-N 3.39Å; R59-F62 PolarHBondContact O-N 3.31Å; F62-K64 PolarHBondContact O-N 3Å; F62-R65 PolarHBondContact O-N 3.37Å; F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CE1-CD1 3.4Å; F62-L66 HydrophobicContact CE1-CG 4.27Å; F62-L66 HydrophobicContact CE2-CD1 4.37Å; F62-L66 HydrophobicContact CE2-CG 4.47Å; F62-L66 HydrophobicContact CZ-CD1 3.63Å; F62-L66 HydrophobicContact CZ-CG 4.19Å; F62-L66 PolarHBondContact O-N 2.93Å; F62-L66 VanDerWaalsContact O-N 3.12Å; F62-V73 HydrophobicContact CD1-CG1 4.15Å
63A97.9Very high97.1Very high2 Ų270.9 Ų70.92%0.01735%0.353CS..Hα-helixtrans-60.1-44.3174.900000111.6R59 D60 E61 R65 L66 K67 L68 V73R59-A63 WeakPolarHBondContact O-CB 3.23Å; R59-A63 PolarHBondContact O-N 3.37Å; D60-A63 PolarHBondContact O-N 3.32Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 3.21Å; A63-R65 PolarHBondContact O-N 3.47Å; A63-L66 PolarHBondContact O-N 2.94Å; A63-K67 PolarHBondContact O-N 3.38Å; A63-L68 CarbonylContact C-O 3.5Å; A63-L68 WeakPolarHBondContact CB-O 3.23Å; A63-L68 PolarHBondContact O-N 2.99Å; A63-L68 VanDerWaalsContact O-O 3.12Å; A63-V73 HydrophobicContact CB-CG2 3.86Å
64K97.5Very high97.1Very high171 Ų17168.3 Ų68.374%0.74335%0.345SS*.Hα-helixtrans-58.8-46175-70.4172.2-175179.40111.9D60 E61 F62 L66 K67D60-K64 WeakPolarHBondContact O-CG 3.48Å; D60-K64 PolarHBondContact O-N 3.15Å; D60-K64 VanDerWaalsContact O-N 3.14Å; E61-K64 PolarHBondContact O-N 3.41Å; F62-K64 PolarHBondContact O-N 3Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3.29Å; K64-K67 PolarHBondContact O-N 2.96Å
65R97Very high97.1Very high161 Ų16170.3 Ų70.361%0.60836%0.355SS*.Hα-helixtrans-60.3-39179.1-64.5179.9-167.7-1732.1112.5E61 F62 A63E61-R65 PolarHBondContact O-N 2.96Å; E61-R65 IonicContact OE1-CZ 3.92Å; E61-R65 IonicContact OE1-NE 3.75Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 3.25Å; F62-R65 PolarHBondContact O-N 3.37Å; A63-R65 PolarHBondContact O-N 3.47Å
66L96.2Very high97.1Very high10 Ų1069.1 Ų69.15%0.05234%0.342CS..Hα-helixtrans-87.2-1.3179.9-65.2-175.9000114.7Q40 M43 L44 F62 A63 K64 L68Q40-L66 PolarHBondContact NE2-O 3.4Å; M43-L66 HydrophobicContact CB-CD2 3.72Å; M43-L66 HydrophobicContact CE-CD2 3.61Å; M43-L66 HydrophobicContact CG-CD2 4.16Å; M43-L66 HydrophobicContact SD-CD2 3.39Å; M43-L66 WeakPolarHBondContact SD-CD2 3.3Å; L44-L66 HydrophobicContact CD1-CD1 4.36Å; L44-L66 HydrophobicContact CD2-CD1 3.99Å; L44-L66 HydrophobicContact CG-CD1 3.72Å; F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CE1-CD1 3.4Å; F62-L66 HydrophobicContact CE1-CG 4.27Å; F62-L66 HydrophobicContact CE2-CD1 4.37Å; F62-L66 HydrophobicContact CE2-CG 4.47Å; F62-L66 HydrophobicContact CZ-CD1 3.63Å; F62-L66 HydrophobicContact CZ-CG 4.19Å; F62-L66 PolarHBondContact O-N 2.93Å; F62-L66 VanDerWaalsContact O-N 3.12Å; A63-L66 PolarHBondContact O-N 2.94Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3.29Å; L66-L68 HydrophobicContact CB-CB 4.4Å; L66-L68 HydrophobicContact CB-CD1 4.04Å; L66-L68 HydrophobicContact CB-CG 3.99Å; L66-L68 HydrophobicContact CD1-CD1 4.22Å; L66-L68 PolarHBondContact O-N 3.39Å
67K96.9Very high97.2Very high191 Ų19166.6 Ų66.683%0.8332%0.319SS*.THydrogen-bonded Turntrans53.140.6-170.4-54.8179.5-178.3176.20112A63 K64A63-K67 PolarHBondContact O-N 3.38Å; K64-K67 PolarHBondContact O-N 2.96Å
68L95.4Very high97.2Very high25 Ų2567.9 Ų67.913%0.13131%0.313CS..  trans-114.6166.5175.3-64.9179.4000110F36 L44 A63 L66 V73F36-L68 HydrophobicContact CD1-CD1 4.15Å; F36-L68 HydrophobicContact CD1-CD2 3.79Å; F36-L68 HydrophobicContact CE1-CD1 4.07Å; F36-L68 HydrophobicContact CE1-CD2 3.7Å; F36-L68 HydrophobicContact CZ-CD1 4.45Å; L44-L68 HydrophobicContact CD1-CD1 4.38Å; A63-L68 CarbonylContact C-O 3.5Å; A63-L68 WeakPolarHBondContact CB-O 3.23Å; A63-L68 PolarHBondContact O-N 2.99Å; A63-L68 VanDerWaalsContact O-O 3.12Å; L66-L68 HydrophobicContact CB-CB 4.4Å; L66-L68 HydrophobicContact CB-CD1 4.04Å; L66-L68 HydrophobicContact CB-CG 3.99Å; L66-L68 HydrophobicContact CD1-CD1 4.22Å; L66-L68 PolarHBondContact O-N 3.39Å; L68-V73 HydrophobicContact CB-CG2 4.3Å
69T96.9Very high97.2Very high76 Ų7670 Ų7047%0.46633%0.325SS..  trans-83.5148170.661.80000110.9H71 Q72 V73T69-H71 PolarHBondContact O-N 3.48Å; T69-H71 VanDerWaalsContact O-N 3.12Å; T69-Q72 WeakPolarHBondContact O-CB 3.42Å; T69-Q72 PolarHBondContact O-N 3.48Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.31Å; T69-Q72 VanDerWaalsContact OG1-CD 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.36Å; T69-Q72 PolarHBondContact OG1-N 2.92Å; T69-Q72 PolarHBondContact OG1-OE1 3.29Å; T69-V73 PolarHBondContact O-N 2.91Å; T69-V73 VanDerWaalsContact O-N 3.1Å
70S97.1Very high97.2Very high37 Ų3770.1 Ų70.126%0.25933%0.326SS..Hα-helixtrans-55.3-32.7174.6-48.70000112.3R59 D60 V73 K74R59-S70 WeakPolarHBondContact CD-O 3.44Å; D60-S70 WeakPolarHBondContact OD1-CB 3.42Å; D60-S70 PolarHBondContact OD1-OG 2.8Å; S70-V73 PolarHBondContact O-N 3.43Å; S70-K74 WeakPolarHBondContact O-CB 3.43Å; S70-K74 PolarHBondContact O-N 2.7Å
71H96.8Very high97.2Very high107 Ų10770.9 Ų70.950%0.49532%0.324SS..Hα-helixtrans-65.4-44.4173.4-178.1-112.8000112.6T69 V73 K74 I75T69-H71 PolarHBondContact O-N 3.48Å; T69-H71 VanDerWaalsContact O-N 3.12Å; H71-V73 VanDerWaalsContact C-N 3.33Å; H71-V73 PolarHBondContact O-N 2.87Å; H71-K74 WeakPolarHBondContact O-CB 3.43Å; H71-K74 PolarHBondContact O-N 3.25Å; H71-I75 WeakPolarHBondContact O-CG1 3.24Å; H71-I75 PolarHBondContact O-N 2.79Å
72Q96.5Very high97.1Very high60 Ų6070.3 Ų70.328%0.2832%0.318SS..Hα-helixtrans-60.2-43.2175.5-78.2164.3-48.300111.8F36 T69 I75 W76F36-Q72 HydrophobicContact CE1-CB 4.4Å; F36-Q72 HydrophobicContact CE1-CG 4.45Å; F36-Q72 HydrophobicContact CZ-CB 4.07Å; F36-Q72 HydrophobicContact CZ-CG 4.35Å; T69-Q72 WeakPolarHBondContact O-CB 3.42Å; T69-Q72 PolarHBondContact O-N 3.48Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.31Å; T69-Q72 VanDerWaalsContact OG1-CD 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.36Å; T69-Q72 PolarHBondContact OG1-N 2.92Å; T69-Q72 PolarHBondContact OG1-OE1 3.29Å; Q72-I75 PolarHBondContact O-N 3.03Å; Q72-W76 WeakPolarHBondContact O-CB 3.42Å; Q72-W76 PolarHBondContact O-N 3.37Å
73V97.1Very high96.9Very high1 Ų176.6 Ų76.61%0.00635%0.345CS..Hα-helixtrans-62.8-44.6175.2-179.10000110.5L44 L54 R59 F62 A63 L68 T69 S70 H71 I75 W76 F77L44-V73 HydrophobicContact CD2-CG1 4.4Å; L54-V73 HydrophobicContact CD1-CG1 4.06Å; R59-V73 HydrophobicContact CG-CB 3.9Å; R59-V73 HydrophobicContact CG-CG1 3.77Å; F62-V73 HydrophobicContact CD1-CG1 4.15Å; A63-V73 HydrophobicContact CB-CG2 3.86Å; L68-V73 HydrophobicContact CB-CG2 4.3Å; T69-V73 PolarHBondContact O-N 2.91Å; T69-V73 VanDerWaalsContact O-N 3.1Å; S70-V73 PolarHBondContact O-N 3.43Å; H71-V73 VanDerWaalsContact C-N 3.33Å; H71-V73 PolarHBondContact O-N 2.87Å; V73-I75 PolarHBondContact O-N 3.47Å; V73-W76 PolarHBondContact O-N 2.9Å; V73-F77 HydrophobicContact CG1-CD2 3.72Å; V73-F77 HydrophobicContact CG1-CE2 3.83Å; V73-F77 WeakPolarHBondContact O-CD2 3.38Å; V73-F77 PolarHBondContact O-N 3.49Å
74K97.4Very high96.7Very high102 Ų10279.7 Ų79.744%0.44336%0.358SS..Hα-helixtrans-54.2-51175.2179.5-174.8175.4-176.10111.5S70 H71 F77 Q78S70-K74 WeakPolarHBondContact O-CB 3.43Å; S70-K74 PolarHBondContact O-N 2.7Å; H71-K74 WeakPolarHBondContact O-CB 3.43Å; H71-K74 PolarHBondContact O-N 3.25Å; K74-F77 PolarHBondContact O-N 2.91Å; K74-Q78 WeakPolarHBondContact O-CB 3.48Å; K74-Q78 PolarHBondContact O-N 3.26Å
75I96.6Very high96.5Very high60 Ų6076.6 Ų76.631%0.30835%0.345SS..Hα-helixtrans-65.4-41.1-179.7-64.4-58.6000111.1H71 Q72 V73 Q78 N79H71-I75 WeakPolarHBondContact O-CG1 3.24Å; H71-I75 PolarHBondContact O-N 2.79Å; Q72-I75 PolarHBondContact O-N 3.03Å; V73-I75 PolarHBondContact O-N 3.47Å; I75-Q78 WeakPolarHBondContact O-CB 3.49Å; I75-Q78 PolarHBondContact O-N 2.96Å; I75-N79 WeakPolarHBondContact O-CB 3.37Å; I75-N79 PolarHBondContact O-N 3.41Å; I75-N79 PolarHBondContact O-ND2 3.44Å
76W97.9Very high96.1Very high33 Ų3372.1 Ų72.113%0.12533%0.328CS..Hα-helixtrans-61.5-47176.9-172.696.4000111.4F36 L44 E45 F48 Q72 V73 Q78 N79 R80F36-W76 AromaticContact CD2-CD1 3.89Å; F36-W76 HydrophobicContact CE2-CB 4.32Å; F36-W76 AromaticContact CE2-CD1 3.71Å; F36-W76 HydrophobicContact CE2-CG 4.34Å; L44-W76 VanDerWaalsContact C-CH2 3.44Å; L44-W76 HydrophobicContact CB-CD2 3.89Å; L44-W76 HydrophobicContact CB-CE3 3.93Å; L44-W76 HydrophobicContact CB-CH2 3.62Å; L44-W76 HydrophobicContact CB-CZ2 3.54Å; L44-W76 HydrophobicContact CB-CZ3 3.81Å; L44-W76 HydrophobicContact CD1-CD2 3.96Å; L44-W76 HydrophobicContact CD1-CG 3.94Å; L44-W76 HydrophobicContact CD2-CB 4.5Å; L44-W76 HydrophobicContact CD2-CD2 3.84Å; L44-W76 HydrophobicContact CD2-CE3 3.74Å; L44-W76 HydrophobicContact CD2-CG 4.17Å; L44-W76 HydrophobicContact CD2-CZ3 4.3Å; L44-W76 HydrophobicContact CG-CD2 4.12Å; L44-W76 HydrophobicContact CG-CE3 4.32Å; L44-W76 WeakPolarHBondContact O-CH2 3.46Å; E45-W76 HydrophobicContact CG-CH2 3.98Å; E45-W76 HydrophobicContact CG-CZ2 3.87Å; F48-W76 HydrophobicContact CB-CH2 4.12Å; F48-W76 HydrophobicContact CB-CZ3 4Å; F48-W76 HydrophobicContact CD2-CZ3 4.38Å; F48-W76 HydrophobicContact CG-CZ3 4.38Å; Q72-W76 WeakPolarHBondContact O-CB 3.42Å; Q72-W76 PolarHBondContact O-N 3.37Å; V73-W76 PolarHBondContact O-N 2.9Å; W76-Q78 VanDerWaalsContact C-N 3.31Å; W76-Q78 PolarHBondContact O-N 3.22Å; W76-N79 PolarHBondContact O-N 3Å; W76-R80 HydrophobicContact CD2-CB 4.48Å; W76-R80 HydrophobicContact CE3-CB 4.03Å; W76-R80 HydrophobicContact CH2-CB 3.96Å; W76-R80 HydrophobicContact CH2-CG 3.65Å; W76-R80 HydrophobicContact CZ2-CB 4.42Å; W76-R80 HydrophobicContact CZ2-CG 4.31Å; W76-R80 HydrophobicContact CZ3-CB 3.76Å; W76-R80 HydrophobicContact CZ3-CG 3.81Å; W76-R80 VanDerWaalsContact O-CB 3.31Å; W76-R80 WeakPolarHBondContact O-CB 3.4Å; W76-R80 PolarHBondContact O-N 3.42Å
77F98.3Very high95.6Very high8 Ų876 Ų764%0.03535%0.348CS..Hα-helixtrans-63.4-35.7176.9-91.6-99.4000112.6L44 R47 F48 Q51 L54 V73 K74 R81L44-F77 HydrophobicContact CD2-CE2 4.08Å; R47-F77 HydrophobicContact CB-CZ 4.43Å; R47-F77 HydrophobicContact CG-CZ 4.16Å; F48-F77 HydrophobicContact CB-CE1 4.29Å; F48-F77 HydrophobicContact CB-CZ 4.5Å; F48-F77 AromaticContact CD2-CD1 3.88Å; F48-F77 HydrophobicContact CD2-CD1 3.88Å; F48-F77 AromaticContact CD2-CE1 3.85Å; F48-F77 HydrophobicContact CD2-CE1 3.85Å; Q51-F77 WeakPolarHBondContact O-CE1 3.49Å; L54-F77 HydrophobicContact CD1-CD1 4.47Å; L54-F77 HydrophobicContact CD1-CD2 3.99Å; L54-F77 HydrophobicContact CD1-CE1 3.95Å; L54-F77 HydrophobicContact CD1-CE2 3.4Å; L54-F77 HydrophobicContact CD1-CG 4.5Å; L54-F77 HydrophobicContact CD1-CZ 3.38Å; L54-F77 HydrophobicContact CD2-CE1 4.45Å; L54-F77 HydrophobicContact CD2-CZ 4.33Å; L54-F77 HydrophobicContact CG-CD1 4.25Å; L54-F77 HydrophobicContact CG-CE1 3.74Å; L54-F77 HydrophobicContact CG-CE2 4.14Å; L54-F77 HydrophobicContact CG-CZ 3.69Å; V73-F77 HydrophobicContact CG1-CD2 3.72Å; V73-F77 HydrophobicContact CG1-CE2 3.83Å; V73-F77 WeakPolarHBondContact O-CD2 3.38Å; V73-F77 PolarHBondContact O-N 3.49Å; K74-F77 PolarHBondContact O-N 2.91Å; F77-R81 WeakPolarHBondContact O-CB 3.29Å; F77-R81 VanDerWaalsContact O-CG 3.3Å; F77-R81 WeakPolarHBondContact O-CG 3.34Å; F77-R81 PolarHBondContact O-N 3.28Å; F77-R81 PolarHBondContact O-NE 2.97Å
78Q97.4Very high94.7Very high99 Ų9974.9 Ų74.946%0.46334%0.339SS..Hα-helixtrans-63.1-50.4173.2-174.6177.812.700111.5K74 I75 W76 R80 R81 Y82K74-Q78 WeakPolarHBondContact O-CB 3.48Å; K74-Q78 PolarHBondContact O-N 3.26Å; I75-Q78 WeakPolarHBondContact O-CB 3.49Å; I75-Q78 PolarHBondContact O-N 2.96Å; W76-Q78 VanDerWaalsContact C-N 3.31Å; W76-Q78 PolarHBondContact O-N 3.22Å; Q78-R80 VanDerWaalsContact C-N 3.3Å; Q78-R80 PolarHBondContact O-N 2.93Å; Q78-R81 PolarHBondContact O-N 3.44Å; Q78-Y82 PolarHBondContact O-N 2.97Å
79N97.5Very high93.9Very high88 Ų8877.7 Ų77.747%0.47135%0.351SS..Hα-helixtrans-62-39.6177.5-71.1-19.1000111.7I75 W76 Y82 K83I75-N79 WeakPolarHBondContact O-CB 3.37Å; I75-N79 PolarHBondContact O-N 3.41Å; I75-N79 PolarHBondContact O-ND2 3.44Å; W76-N79 PolarHBondContact O-N 3Å; N79-Y82 WeakPolarHBondContact O-CB 3.47Å; N79-Y82 PolarHBondContact O-N 2.8Å; N79-K83 WeakPolarHBondContact O-CG 3.45Å; N79-K83 PolarHBondContact O-N 2.92Å
80R97.6Very high92.8Very high64 Ų6477.6 Ų77.624%0.24235%0.348CS..Hα-helixtrans-66.1-42.9179.2-173.765.6-173.191.6-7.3112.1F48 W76 Q78 Y82 K83 F84F48-R80 HydrophobicContact CB-CG 4.46Å; F48-R80 HydrophobicContact CD1-CG 3.64Å; F48-R80 HydrophobicContact CD2-CB 4.18Å; F48-R80 HydrophobicContact CD2-CG 3.61Å; F48-R80 HydrophobicContact CE1-CG 3.65Å; F48-R80 HydrophobicContact CE2-CB 4.08Å; F48-R80 HydrophobicContact CE2-CG 3.63Å; F48-R80 HydrophobicContact CG-CG 3.62Å; F48-R80 HydrophobicContact CZ-CB 4.41Å; F48-R80 HydrophobicContact CZ-CG 3.64Å; W76-R80 HydrophobicContact CD2-CB 4.48Å; W76-R80 HydrophobicContact CE3-CB 4.03Å; W76-R80 HydrophobicContact CH2-CB 3.96Å; W76-R80 HydrophobicContact CH2-CG 3.65Å; W76-R80 HydrophobicContact CZ2-CB 4.42Å; W76-R80 HydrophobicContact CZ2-CG 4.31Å; W76-R80 HydrophobicContact CZ3-CB 3.76Å; W76-R80 HydrophobicContact CZ3-CG 3.81Å; W76-R80 VanDerWaalsContact O-CB 3.31Å; W76-R80 WeakPolarHBondContact O-CB 3.4Å; W76-R80 PolarHBondContact O-N 3.42Å; Q78-R80 VanDerWaalsContact C-N 3.3Å; Q78-R80 PolarHBondContact O-N 2.93Å; R80-Y82 VanDerWaalsContact C-N 3.35Å; R80-K83 PolarHBondContact O-N 3.41Å; R80-F84 WeakPolarHBondContact O-CB 3.43Å; R80-F84 PolarHBondContact O-N 3.38Å
81R97.4Very high91.3Very high84 Ų8483.7 Ų83.732%0.31737%0.366SS..Hα-helixtrans-62.2-41.3172.2-74.9-178.2-68.8160.2-0.7111.8F48 H52 Y53 F77 Q78 F84 K85F48-R81 HydrophobicContact CE2-CG 3.79Å; F48-R81 HydrophobicContact CZ-CG 4.23Å; H52-R81 WeakPolarHBondContact O-CD 3.25Å; Y53-R81 VanDerWaalsContact CD1-NH1 3.26Å; F77-R81 WeakPolarHBondContact O-CB 3.29Å; F77-R81 VanDerWaalsContact O-CG 3.3Å; F77-R81 WeakPolarHBondContact O-CG 3.34Å; F77-R81 PolarHBondContact O-N 3.28Å; F77-R81 PolarHBondContact O-NE 2.97Å; Q78-R81 PolarHBondContact O-N 3.44Å; R81-F84 PolarHBondContact O-N 2.96Å; R81-K85 WeakPolarHBondContact O-CB 3.48Å; R81-K85 PolarHBondContact O-N 3.21Å
82Y96Very high89.6Confident84 Ų8483 Ų8333%0.32937%0.369SS..Hα-helixtrans-60.1-49.3175.4179.8-104.3000111.7Q78 N79 R80 F84 K85 R86 I142Q78-Y82 PolarHBondContact O-N 2.97Å; N79-Y82 WeakPolarHBondContact O-CB 3.47Å; N79-Y82 PolarHBondContact O-N 2.8Å; R80-Y82 VanDerWaalsContact C-N 3.35Å; Y82-F84 VanDerWaalsContact C-N 3.34Å; Y82-F84 PolarHBondContact O-N 3.38Å; Y82-K85 PolarHBondContact O-N 3.44Å; Y82-R86 HydrophobicContact CD1-CG 4.26Å; Y82-R86 HydrophobicContact CD2-CG 4.49Å; Y82-R86 HydrophobicContact CE1-CG 3.88Å; Y82-R86 HydrophobicContact CE2-CG 4.09Å; Y82-R86 VanDerWaalsContact CZ-NE 3.29Å; Y82-R86 WeakPolarHBondContact O-CG 3.38Å; Y82-R86 PolarHBondContact O-N 3.21Å; Y82-R86 PolarHBondContact OH-NE 3.12Å; Y82-R86 PolarHBondContact OH-NH2 2.91Å; Y82-I142 HydrophobicContact CD2-CD1 4.19Å; Y82-I142 HydrophobicContact CE2-CD1 3.41Å; Y82-I142 VanDerWaalsContact CE2-CD1 3.41Å
83K93.3Very high87.9Confident146 Ų14684 Ų8464%0.63538%0.376SS*.Hα-helixtrans-59.4-43174.8-73.2-173.9177.7-172.70112.3N79 R80 K85 R86 L87N79-K83 WeakPolarHBondContact O-CG 3.45Å; N79-K83 PolarHBondContact O-N 2.92Å; R80-K83 PolarHBondContact O-N 3.41Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.17Å; K83-R86 PolarHBondContact O-N 3.48Å; K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 PolarHBondContact O-N 3.5Å
84F93.9Very high85.9Confident66 Ų6689.2 Ų89.229%0.28940%0.4SS..Hα-helixtrans-61-41.9177.6-177.2-104.7000112.3F48 H52 R80 R81 Y82F48-F84 HydrophobicContact CE1-CB 4.43Å; F48-F84 HydrophobicContact CE1-CD2 4.46Å; F48-F84 HydrophobicContact CE1-CG 4.49Å; F48-F84 HydrophobicContact CZ-CB 4.22Å; F48-F84 HydrophobicContact CZ-CG 4.46Å; H52-F84 AromaticContact CE1-CZ 3.96Å; R80-F84 WeakPolarHBondContact O-CB 3.43Å; R80-F84 PolarHBondContact O-N 3.38Å; R81-F84 PolarHBondContact O-N 2.96Å; Y82-F84 VanDerWaalsContact C-N 3.34Å; Y82-F84 PolarHBondContact O-N 3.38Å
85K92.4Very high83.9Confident106 Ų10690.4 Ų90.446%0.46141%0.409SS..Hα-helixtrans-66.5-44.8175.1-174.2175.768.4174.10111.8R81 Y82 K83 L87 R88 Q89R81-K85 WeakPolarHBondContact O-CB 3.48Å; R81-K85 PolarHBondContact O-N 3.21Å; Y82-K85 PolarHBondContact O-N 3.44Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.17Å; K85-L87 PolarHBondContact O-N 2.94Å; K85-R88 PolarHBondContact O-N 3.06Å; K85-Q89 PolarHBondContact O-N 3.39Å
86R89.3Confident81.7Confident67 Ų6790.2 Ų90.225%0.25341%0.412SS..Hα-helixtrans-61-43.5178.7-76.5-65.7-171.8-179.86.5112.1Y82 K83 R88 Q89 D90Y82-R86 HydrophobicContact CD1-CG 4.26Å; Y82-R86 HydrophobicContact CD2-CG 4.49Å; Y82-R86 HydrophobicContact CE1-CG 3.88Å; Y82-R86 HydrophobicContact CE2-CG 4.09Å; Y82-R86 VanDerWaalsContact CZ-NE 3.29Å; Y82-R86 WeakPolarHBondContact O-CG 3.38Å; Y82-R86 PolarHBondContact O-N 3.21Å; Y82-R86 PolarHBondContact OH-NE 3.12Å; Y82-R86 PolarHBondContact OH-NH2 2.91Å; K83-R86 PolarHBondContact O-N 3.48Å; R86-R88 PolarHBondContact O-N 3.1Å; R86-R88 VanDerWaalsContact O-N 3.1Å; R86-Q89 WeakPolarHBondContact O-CA 3.06Å; R86-Q89 PolarHBondContact O-N 3.33Å; R86-D90 VanDerWaalsContact O-CG 3.31Å; R86-D90 PolarHBondContact O-N 2.95Å
87L86Confident79.7Confident91 Ų9195.5 Ų95.548%0.47644%0.437SS..Hα-helixtrans-58.8-29.1177.6-173.361.4000113.3K83 K85 R91K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 PolarHBondContact O-N 3.5Å; K85-L87 PolarHBondContact O-N 2.94Å; L87-R91 WeakPolarHBondContact O-CD 3.33Å; L87-R91 VanDerWaalsContact O-CG 3.25Å; L87-R91 WeakPolarHBondContact O-CG 3.39Å; L87-R91 PolarHBondContact O-N 3.5Å
88R77.3Confident77.5Confident169 Ų169102.7 Ų102.764%0.63847%0.468SS*.Hα-helixtrans-73.8-38.4173.3-68.1-174.1176-162.9-4112.4K85 R86 T92K85-R88 PolarHBondContact O-N 3.06Å; R86-R88 PolarHBondContact O-N 3.1Å; R86-R88 VanDerWaalsContact O-N 3.1Å; R88-T92 PolarHBondContact O-OG1 3.1Å
89Q78.4Confident75.4Confident83 Ų83106.1 Ų106.139%0.38848%0.481SS..Hα-helixtrans-73.2-41.4178.6-67178.1-13.200112K85 R86 R91 T92 L93K85-Q89 PolarHBondContact O-N 3.39Å; R86-Q89 WeakPolarHBondContact O-CA 3.06Å; R86-Q89 PolarHBondContact O-N 3.33Å; Q89-R91 VanDerWaalsContact C-N 3.26Å; Q89-R91 PolarHBondContact O-N 3.29Å; Q89-T92 WeakPolarHBondContact O-CA 3.43Å; Q89-T92 WeakPolarHBondContact O-CB 3.28Å; Q89-T92 PolarHBondContact O-N 3.43Å; Q89-L93 PolarHBondContact O-N 3.36Å
90D75.1Confident73.3Confident74 Ų74107.5 Ų107.540%0.39649%0.489SS..Hα-helixtrans-66.5-31-179.1-63.7-28.6000111.1R86 T92 L93 E94R86-D90 VanDerWaalsContact O-CG 3.31Å; R86-D90 PolarHBondContact O-N 2.95Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 2.86Å; D90-L93 PolarHBondContact O-N 3.26Å; D90-E94 WeakPolarHBondContact O-CB 3.42Å; D90-E94 PolarHBondContact O-N 2.99Å
91R64.9Low70.8Confident166 Ų166107.8 Ų107.863%0.62651%0.511SS*.Hα-helixtrans-64.8-35.2170.7-74.3175.5-176.6-157-0.2112.5L87 Q89 M95L87-R91 WeakPolarHBondContact O-CD 3.33Å; L87-R91 VanDerWaalsContact O-CG 3.25Å; L87-R91 WeakPolarHBondContact O-CG 3.39Å; L87-R91 PolarHBondContact O-N 3.5Å; Q89-R91 VanDerWaalsContact C-N 3.26Å; Q89-R91 PolarHBondContact O-N 3.29Å; R91-M95 PolarHBondContact O-N 3.12Å
92T62.1Low68.4Low92 Ų92107.8 Ų107.856%0.56453%0.53SS*.Hα-helixtrans-70.5-37.5174.2-51.70000111.3R88 Q89 D90 S96R88-T92 PolarHBondContact O-OG1 3.1Å; Q89-T92 WeakPolarHBondContact O-CA 3.43Å; Q89-T92 WeakPolarHBondContact O-CB 3.28Å; Q89-T92 PolarHBondContact O-N 3.43Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 2.86Å; T92-S96 PolarHBondContact O-N 3.06Å; T92-S96 PolarHBondContact O-OG 3.12Å
93L59.5Low66.3Low82 Ų82110.6 Ų110.643%0.42955%0.547SS..Hα-helixtrans-73.3-44.8178.1-70.9176.2000112.3Q89 D90 M95 S96 F97Q89-L93 PolarHBondContact O-N 3.36Å; D90-L93 PolarHBondContact O-N 3.26Å; L93-M95 PolarHBondContact O-N 3.41Å; L93-S96 CarbonylContact O-C 3.28Å; L93-S96 WeakPolarHBondContact O-CA 3.17Å; L93-S96 WeakPolarHBondContact O-CB 3.48Å; L93-S96 PolarHBondContact O-N 3.13Å; L93-F97 HydrophobicContact CB-CD2 4.04Å; L93-F97 HydrophobicContact CB-CE2 3.92Å; L93-F97 HydrophobicContact CD2-CE2 4.25Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 PolarHBondContact O-N 2.81Å
94E55.6Low64.4Low110 Ų110112.5 Ų112.551%0.51456%0.556SS.*Hα-helixtrans-54.3-40.5173.7-95-93.5121.800111.5D90 S96 K98D90-E94 WeakPolarHBondContact O-CB 3.42Å; D90-E94 PolarHBondContact O-N 2.99Å; E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.29Å; E94-K98 WeakPolarHBondContact O-CB 3.15Å; E94-K98 PolarHBondContact O-N 2.52Å; E94-K98 IonicContact OE1-NZ 3.97Å; E94-K98 IonicContact OE2-NZ 2.77Å; E94-K98 PolarHBondContact OE2-NZ 3.01Å
95M54.9Low62.4Low127 Ų127114 Ų11463%0.62658%0.581SS**Hα-helixtrans-69.2-27.5176.4-139.297.279.800112.8R91 L93 K99R91-M95 PolarHBondContact O-N 3.12Å; L93-M95 PolarHBondContact O-N 3.41Å; M95-K99 WeakPolarHBondContact O-CB 3.44Å; M95-K99 WeakPolarHBondContact O-CG 3.39Å; M95-K99 PolarHBondContact O-N 3.25Å
96S51.9Low60.6Low55 Ų55115.9 Ų115.939%0.38559%0.591SS.*Hα-helixtrans-85-34.7178.4-55.80000112.1T92 L93 E94 K99 N100T92-S96 PolarHBondContact O-N 3.06Å; T92-S96 PolarHBondContact O-OG 3.12Å; L93-S96 CarbonylContact O-C 3.28Å; L93-S96 WeakPolarHBondContact O-CA 3.17Å; L93-S96 WeakPolarHBondContact O-CB 3.48Å; L93-S96 PolarHBondContact O-N 3.13Å; E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.29Å; S96-K99 PolarHBondContact O-N 3.14Å; S96-N100 WeakPolarHBondContact O-CB 3.21Å; S96-N100 PolarHBondContact O-N 3.29Å
97F54.9Low59.3Low144 Ų144118.4 Ų118.463%0.63262%0.616SS**Hα-helixtrans-73.2-31.7175.2-75.7-68.4000112.2L93 G101L93-F97 HydrophobicContact CB-CD2 4.04Å; L93-F97 HydrophobicContact CB-CE2 3.92Å; L93-F97 HydrophobicContact CD2-CE2 4.25Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 PolarHBondContact O-N 2.81Å; F97-G101 WeakPolarHBondContact O-CA 3.44Å; F97-G101 PolarHBondContact O-N 3.48Å
98K53.1Low57.8Low159 Ų159120.4 Ų120.469%0.69163%0.626SS**Hα-helixtrans-78.7-20.7173.9-78.5171.3175.6154.20114.2E94E94-K98 WeakPolarHBondContact O-CB 3.15Å; E94-K98 PolarHBondContact O-N 2.52Å; E94-K98 IonicContact OE1-NZ 3.97Å; E94-K98 IonicContact OE2-NZ 2.77Å; E94-K98 PolarHBondContact OE2-NZ 3.01Å
99K53.1Low56.9Low172 Ų172116.3 Ų116.375%0.74862%0.622SS**Hα-helixtrans-98.1-18.3178.2-72.6-173174.9-177.20114.6M95 S96M95-K99 WeakPolarHBondContact O-CB 3.44Å; M95-K99 WeakPolarHBondContact O-CG 3.39Å; M95-K99 PolarHBondContact O-N 3.25Å; S96-K99 PolarHBondContact O-N 3.14Å
100N52.5Low55.9Low116 Ų116122.7 Ų122.762%0.6264%0.644SS**SBendtrans-127.322.6-179.8-63.6-35.1000113.9S96 A102S96-N100 WeakPolarHBondContact O-CB 3.21Å; S96-N100 PolarHBondContact O-N 3.29Å; N100-A102 PolarHBondContact O-N 3.44Å
101G46.3Very low54.7Low70 Ų70122.6 Ų122.672%0.72266%0.66SS**THydrogen-bonded Turntrans-66.823.1-175.800000117.3F97F97-G101 WeakPolarHBondContact O-CA 3.44Å; F97-G101 PolarHBondContact O-N 3.48Å
102A46.9Very low54.6Low85 Ų85120.3 Ų120.370%0.70266%0.659SS**THydrogen-bonded Turntrans-121.913.7177.300000114.2N100N100-A102 PolarHBondContact O-N 3.44Å
103M51Low54.2Low142 Ų142121.2 Ų121.270%0.767%0.669SS**SBendtrans-143.345.1-164-54.4-75.9-177.400115.5
104F54.2Low54Low187 Ų187124.2 Ų124.282%0.8268%0.676SS**  trans-150.843.3156.3-72.6-69.6000111H106F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 AromaticContact CD1-CD2 3.87Å; F104-H106 AromaticContact CD1-NE2 3.55Å; F104-H106 PolarHBondContact O-N 2.93Å
105A51.4Low53.9Low98 Ų98127.5 Ų127.581%0.8169%0.689SS**  trans-94.57116000000107.5P107A105-P107 WeakPolarHBondContact O-CD 3.05Å
106H55Low53.4Low145 Ų145126.3 Ų126.367%0.67169%0.693SS**  trans-79.7115.4161.5-58-79.6000106F104 L108F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 AromaticContact CD1-CD2 3.87Å; F104-H106 AromaticContact CD1-NE2 3.55Å; F104-H106 PolarHBondContact O-N 2.93Å; H106-L108 PolarHBondContact O-N 3.34Å; H106-L108 VanDerWaalsContact O-N 3.13Å
107P61.2Low53.4Low119 Ų119128.1 Ų128.177%0.77370%0.702SS**PPolyproline II helixtrans-63.3118.4170.9-9.624.8000106.4A105 P109A105-P107 WeakPolarHBondContact O-CD 3.05Å; P107-P109 WeakPolarHBondContact O-CD 3.38Å; P107-P109 VanDerWaalsContact O-N 3.17Å
108L53.8Low53.3Low134 Ų134126.1 Ų126.170%0.70271%0.706SS**PPolyproline II helixtrans-54.5122.8162.7-72170.1000106.2H106 Y110H106-L108 PolarHBondContact O-N 3.34Å; H106-L108 VanDerWaalsContact O-N 3.13Å; L108-Y110 PolarHBondContact O-N 3.05Å
109P58.8Low53Low83 Ų83127.6 Ų127.654%0.53971%0.713SS.*SBendtrans-63.3133.4165.633.5-32.3000104.4P107P107-P109 WeakPolarHBondContact O-CD 3.38Å; P107-P109 VanDerWaalsContact O-N 3.17Å
110Y58.8Low53.1Low217 Ų217125.1 Ų125.185%0.85171%0.714SS**SBendtrans76.772.4176.6-18.9-66.9000115.8L108L108-Y110 PolarHBondContact O-N 3.05Å
111G48.6Very low52.8Low72 Ų72131.9 Ų131.974%0.74273%0.731SS**  68.974.212400000120.1
112I62.3Low52.4Low117 Ų117132 Ų13260%0.673%0.732SS**  trans-131.4108.1147.8-61.5-179.1000108.3Y114I112-Y114 HydrophobicContact CB-CE2 4.38Å; I112-Y114 HydrophobicContact CG2-CD1 4.44Å; I112-Y114 HydrophobicContact CG2-CD2 4.47Å; I112-Y114 HydrophobicContact CG2-CE1 4Å; I112-Y114 HydrophobicContact CG2-CE2 4.04Å; I112-Y114 PolarHBondContact O-N 3.19Å
113S53.7Low52.2Low112 Ų112134.6 Ų134.678%0.78373%0.734SS**  trans-73.8108.8170.6179.30000108.6F115S113-F115 PolarHBondContact O-N 3.29Å
114Y55.8Low51.8Low144 Ų144138 Ų13857%0.56574%0.74SS**  trans-80.2108.1165.1-61.6-79.9000107I112 S116 H135I112-Y114 HydrophobicContact CB-CE2 4.38Å; I112-Y114 HydrophobicContact CG2-CD1 4.44Å; I112-Y114 HydrophobicContact CG2-CD2 4.47Å; I112-Y114 HydrophobicContact CG2-CE1 4Å; I112-Y114 HydrophobicContact CG2-CE2 4.04Å; I112-Y114 PolarHBondContact O-N 3.19Å; Y114-S116 PolarHBondContact O-N 3.46Å; Y114-S116 VanDerWaalsContact O-N 3.09Å; Y114-H135 AromaticContact CE1-CE1 3.65Å
115F53.4Low51Low179 Ų179132.5 Ų132.579%0.78574%0.736SS**  trans-50.7117.1178.8-146.3-88.9000109.7S113 T117S113-F115 PolarHBondContact O-N 3.29Å; F115-T117 VanDerWaalsContact C-N 3.35Å; F115-T117 HydrophobicContact CD1-CG2 3.65Å; F115-T117 HydrophobicContact CE1-CG2 4.27Å; F115-T117 PolarHBondContact O-N 2.64Å
116S45.8Very low50.6Low103 Ų103133.6 Ų133.672%0.7274%0.738SS**  trans-73.487.6172.6-168.40000108Y114 S118Y114-S116 PolarHBondContact O-N 3.46Å; Y114-S116 VanDerWaalsContact O-N 3.09Å; S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 2.98Å; S116-S118 VanDerWaalsContact O-N 3.11Å
117T50.3Low49.8Very low92 Ų92130.8 Ų130.856%0.56474%0.74SS**  trans-82.885172.147.90000110.1F115 F119F115-T117 VanDerWaalsContact C-N 3.35Å; F115-T117 HydrophobicContact CD1-CG2 3.65Å; F115-T117 HydrophobicContact CE1-CG2 4.27Å; F115-T117 PolarHBondContact O-N 2.64Å; T117-F119 PolarHBondContact O-N 3.22Å; T117-F119 VanDerWaalsContact O-N 3.15Å
118S54.5Low49.1Very low102 Ų102131.1 Ų131.171%0.71375%0.745SS**  trans-57.5107.3147.9-530000107.1S116 P120S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 2.98Å; S116-S118 VanDerWaalsContact O-N 3.11Å; S118-P120 WeakPolarHBondContact O-CD 3.37Å
119F46.5Very low48.3Very low191 Ų191128.7 Ų128.784%0.83875%0.752SS**PPolyproline II helixtrans-71118177.2-83.9-95.3000110.6T117T117-F119 PolarHBondContact O-N 3.22Å; T117-F119 VanDerWaalsContact O-N 3.15Å
120P54.1Low47.6Very low120 Ų120130.9 Ų130.978%0.77976%0.76SS**PPolyproline II helixtrans-90.5139.2162.24.318.5000109.3S118S118-P120 WeakPolarHBondContact O-CD 3.37Å
121R45.8Very low46.8Very low258 Ų258126 Ų12697%0.97476%0.756SS**PPolyproline II helixtrans-54.9132.7168-93.3174-171.3-150.31.5110.7
122G39.8Very low46.5Very low71 Ų71128.8 Ų128.873%0.73275%0.75SS**  trans143.6120.1150.300000115.8
123N42.6Very low45.7Very low140 Ų140135 Ų13575%0.74977%0.766SS**  trans82.8111.3154.9-127.117.9000119.2
124Y41Very low45.1Very low214 Ų214135.1 Ų135.184%0.83976%0.757SS**  trans-71.9122.1174.43.5-89.6000109.4
125G37.9Very low44.6Very low71 Ų71135.4 Ų135.473%0.73276%0.763SS**  trans-17294.3177.900000112.2
126S42.9Very low44.1Very low121 Ų121130.9 Ų130.985%0.84675%0.753SS**  trans61.3119.7148.9-127.80000121
127A38.9Very low44.6Very low86 Ų86132 Ų13271%0.71176%0.759SS**  trans54.198.4133.600000118.4
128S46.6Very low44.6Very low127 Ų127131.9 Ų131.989%0.88876%0.757SS**  169134.9117.842.20000110.3
129G36.4Very low44.1Very low82 Ų82132.3 Ų132.385%0.84576%0.759SS**  trans-68.2137.7-169.300000113.6
130N43.2Very low44.3Very low130 Ų130131.7 Ų131.770%0.69576%0.756SS**  trans-158.475.1155.6-154.615.3000110.4Q132N130-Q132 PolarHBondContact O-N 3.37Å; N130-Q132 VanDerWaalsContact O-N 3.16Å
131C43.1Very low44.2Very low114 Ų114131.5 Ų131.577%0.7776%0.755SS**  trans-83.588168.7-72.60000108.8W133C131-W133 VanDerWaalsContact O-CD1 3.31Å; C131-W133 PolarHBondContact O-N 3.08Å
132Q41.8Very low44.4Very low131 Ų131123.9 Ų123.961%0.61273%0.732SS**  trans-72.388.3177.1-161.8137.428.900109.6N130 L134N130-Q132 PolarHBondContact O-N 3.37Å; N130-Q132 VanDerWaalsContact O-N 3.16Å; Q132-L134 HydrophobicContact CG-CB 4.05Å; Q132-L134 HydrophobicContact CG-CD1 3.61Å; Q132-L134 HydrophobicContact CG-CG 3.86Å; Q132-L134 VanDerWaalsContact NE2-CD1 3.34Å; Q132-L134 PolarHBondContact O-N 2.91Å
133W44.7Very low44.5Very low247 Ų247129.3 Ų129.394%0.93674%0.736SS**  trans-7363.7166.3-62.694000109.7C131C131-W133 VanDerWaalsContact O-CD1 3.31Å; C131-W133 PolarHBondContact O-N 3.08Å
134L41.2Very low44.4Very low115 Ų115129.4 Ų129.460%0.60274%0.736SS**  trans-111.7138.8169.5-72.2174000108.8Q132Q132-L134 HydrophobicContact CG-CB 4.05Å; Q132-L134 HydrophobicContact CG-CD1 3.61Å; Q132-L134 HydrophobicContact CG-CG 3.86Å; Q132-L134 VanDerWaalsContact NE2-CD1 3.34Å; Q132-L134 PolarHBondContact O-N 2.91Å
135H45.3Very low44.5Very low149 Ų149124 Ų12469%0.6973%0.729SS**  trans89.963.1-179-53.7102.7000117.3Y114Y114-H135 AromaticContact CE1-CE1 3.65Å
136S44.6Very low44.9Very low84 Ų84125.9 Ų125.959%0.58773%0.728SS**  trans-146.1113.9135.9-160.20000110.6V138S136-V138 PolarHBondContact O-N 3.34Å; S136-V138 VanDerWaalsContact O-N 3.09Å
137P54.6Low44.6Very low128 Ų128130.2 Ų130.283%0.83173%0.732SS**THydrogen-bonded Turntrans-76.411.2-177.230.2-32.6000113.8
138V50.3Low44.8Very low88 Ų88130.8 Ų130.853%0.53373%0.731SS.*THydrogen-bonded Turntrans-121.631.9-172.3-157.60000112.2S136S136-V138 PolarHBondContact O-N 3.34Å; S136-V138 VanDerWaalsContact O-N 3.09Å
139C44.1Very low44.4Very low111 Ų111131.8 Ų131.875%0.7573%0.726SS**  trans-9955.2166-73.70000110.5P141C139-P141 WeakPolarHBondContact O-CD 3.13Å
140K50.5Low44.9Very low178 Ų178135.7 Ų135.777%0.77473%0.726SS**  trans-77.3121.3160.3-72.5-171.8179-1780107.8I142K140-I142 PolarHBondContact O-N 2.85Å; K140-I142 VanDerWaalsContact O-N 3.1Å
141P53Low45.1Very low116 Ų116138.5 Ų138.575%0.75373%0.732SS**  trans-60.4116.116724.8-29.9000107.3C139 F143C139-P141 WeakPolarHBondContact O-CD 3.13Å; P141-F143 PolarHBondContact O-N 3.25Å
142I50.5Low44.8Very low98 Ų98144.9 Ų144.950%0.50374%0.74SS.*  trans-72.784.3174.7-60.7173.6000107.1Y82 K140Y82-I142 HydrophobicContact CD2-CD1 4.19Å; Y82-I142 HydrophobicContact CE2-CD1 3.41Å; Y82-I142 VanDerWaalsContact CE2-CD1 3.41Å; K140-I142 PolarHBondContact O-N 2.85Å; K140-I142 VanDerWaalsContact O-N 3.1Å
143F42Very low45.3Very low185 Ų185144.7 Ų144.781%0.81175%0.748SS**  trans-79.1133.5146.8-118.6-93.2000105.9P141P141-F143 PolarHBondContact O-N 3.25Å
144L40.6Very low46.1Very low142 Ų142142.7 Ų142.774%0.74377%0.766SS**  trans72.699.4178.6-59.5103.5000117.5
145C42.8Very low46.3Very low102 Ų102144.1 Ų144.169%0.68978%0.775SS**  -118.7117.4127.7-660000106.4
146P45.8Very low46.4Very low110 Ų110143.8 Ų143.871%0.71478%0.779SS**  trans-67143.5171.829.7-30.7000109.1S148P146-S148 PolarHBondContact O-N 3.26Å
147F36.5Very low46.5Very low211 Ų211147.1 Ų147.193%0.92579%0.79SS**  trans-68.5120.6175.4-157.1-98.1000108
148S42.8Very low46Very low99 Ų99148.2 Ų148.269%0.69279%0.787SS**  trans-135.6113.7166.5-58.30000109P146P146-S148 PolarHBondContact O-N 3.26Å
149D37.9Very low45.8Very low147 Ų147152 Ų15279%0.78680%0.803SS**  trans30.7105.6152.6-71-81.3000120.4
150I48.6Very low45.9Very low165 Ų165154.7 Ų154.785%0.84681%0.807SS**  trans-132.994.1146.1-66176.6000109
151K47.1Very low45.5Very low189 Ų189153.1 Ų153.182%0.82281%0.809SS**  trans60.8110.8142.3-58.5-152.8177.2-165.70120.8
152R35.4Very low45Very low247 Ų247155.9 Ų155.993%0.93281%0.813SS**  trans-27.7130.4137-69.6172.2-177.5170.30.5113.2
153T53.1Low44.5Very low128 Ų128160.8 Ų160.879%0.78584%0.839SS**  trans-128.5147.7140.652.10000105.7
154P61.4Low44.7Very low204 Ų204158.5 Ų158.5100%1.32584%0.842SS**  trans-54.90-162.623.5-35.2000114.5

Retrieved 154 of 154 residues in 133.1 ms (Link to these results)