A0A087YIG4_POEFO Loading...

Centromere protein H

AlphaFold DB , UniProt , Accession A0A087YIG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M38Very low35.9Very low233 Ų233155.9 Ų155.9100%1.14883%0.829SS**  080.70-60.1-168.1-159.900104.8
2D32.5Very low36.5Very low152 Ų152155.2 Ų155.281%0.81383%0.834SS**  57.3126.283.7-70.9-11.3000109.8
3N32.4Very low36.2Very low135 Ų135149.1 Ų149.172%0.72283%0.83SS**  cis-173.5153.311.4-137.5-12.1000107.8
4S35.2Very low36.4Very low91 Ų91151.4 Ų151.464%0.63683%0.832SS**  trans55.6151.5135.6-90.30000122.3
5L38.3Very low36.5Very low153 Ų153151.5 Ų151.580%0.80183%0.83SS**  cis-162.6150.712.9-132.4140.6000108.3
6D35.5Very low36.3Very low154 Ų154154.1 Ų154.182%0.82484%0.835SS**  trans-63.4163.7168.6-130.6-23.6000113.2
7Q34.2Very low36.3Very low163 Ų163149.1 Ų149.176%0.76283%0.828SS**  142.9116.9128.9-163.8160.253.200117.1
8M37.3Very low37Very low171 Ų171148.2 Ų148.284%0.84283%0.83SS**  trans30.2140.7144.5-76.4173.1148.100123
9V35.3Very low37.3Very low139 Ų139145.4 Ų145.484%0.84283%0.827SS**  176132.4110.7153.80000111.1
10E42Very low37.5Very low178 Ų178143.4 Ų143.483%0.83283%0.829SS**  trans-66.9155.4170-75.7175.6132.200113.1
11T34.3Very low37.9Very low146 Ų146144.6 Ų144.690%0.89683%0.827SS**  trans-168.5145.2136.119.90000112.7
12V43.4Very low37.8Very low147 Ų147141.3 Ų141.389%0.89182%0.815SS**  trans-77.3153.5-176.8165.80000113.2
13G32Very low38.1Very low76 Ų76143.4 Ų143.478%0.78481%0.813SS**  trans180127.4160.300000115.2
14Q39.4Very low38.7Very low182 Ų182142.9 Ų142.985%0.8582%0.816SS**  trans-91.3165.6-170.2-65.6170.3-62.700115.5
15N37.2Very low39.2Very low152 Ų152143.3 Ų143.381%0.81383%0.826SS**  trans88.7124.1139.9-106.83.3000121.9
16E33.9Very low39.7Very low193 Ų193144.5 Ų144.590%0.90283%0.827SS**  -170.9138.2117.9-102.9177.7174.100111.6
17G35.4Very low40.8Very low70 Ų70146 Ų14672%0.72283%0.829SS**  trans-76.1-170175.800000113.3
18P49.3Very low42Very low133 Ų133145.4 Ų145.486%0.86483%0.831SS**  -145.1-163.954.334-10.2000112.3
19A42.3Very low43.5Very low94 Ų94141.1 Ų141.178%0.77782%0.815SS**  cis-165.2161.2-42.100000106.7
20A42.3Very low45.7Very low105 Ų105137.1 Ų137.187%0.86879%0.793SS**  trans84.9123152.100000121.8
21E44.7Very low47.6Very low169 Ų169133 Ų13379%0.7978%0.782SS**  trans-81.1166.6177.4-55.3173.5140.200113.1
22D36.5Very low50.1Low165 Ų165129 Ų12988%0.88276%0.764SS**  trans-150.6123.8138.6-146.64.1000110.9
23Y38.4Very low52.1Low195 Ų195125 Ų12577%0.76574%0.737SS**  trans-119.1138.8173-82.7-84.6000108.2
24P45.2Very low54.7Low124 Ų124126.7 Ų126.781%0.80573%0.726SS**  trans-86.7127.9177.932.7-29.6000112.8
25A45.2Very low57Low101 Ų101123.8 Ų123.884%0.83572%0.716SS**  trans32114.9145.500000120.5
26Q49.6Very low59.7Low177 Ų177124 Ų12483%0.82771%0.705SS**  trans-77.9118.7170.6-173.5176.1-18.200110.8D28Q26-D28 PolarHBondContact O-N 3.37Å
27E57.9Low62.4Low186 Ų186118.7 Ų118.787%0.86968%0.682SS**  trans-72.1117.5165.4-97.3-177.1154.900109.2T29E27-T29 PolarHBondContact O-N 3.13Å
28D60.9Low65.1Low150 Ų150122.7 Ų122.780%0.80268%0.68SS**  trans-64.2115.1175.8-79.7-33.5000110.5Q26 S30Q26-D28 PolarHBondContact O-N 3.37Å; D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 VanDerWaalsContact O-N 3.16Å
29T68.5Low67.3Low82 Ų82121.8 Ų121.850%0.50366%0.664SS.*  trans-62.5115178-54.10000109.8E27 D33 M34 I37E27-T29 PolarHBondContact O-N 3.13Å; T29-D33 HydrophobicContact CG2-CB 3.55Å; T29-M34 HydrophobicContact CG2-CG 4.08Å; T29-I37 HydrophobicContact CG2-CD1 4.35Å
30S81.8Confident69.7Low55 Ų55122.4 Ų122.439%0.38565%0.651SS.*  trans-58.4148.1-178.61710000111.3D28 A32 D33 M34D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 VanDerWaalsContact O-N 3.16Å; S30-A32 PolarHBondContact O-N 3.3Å; S30-A32 PolarHBondContact OG-N 3.25Å; S30-D33 WeakPolarHBondContact CB-OD2 3.37Å; S30-D33 PolarHBondContact N-OD2 3.23Å; S30-D33 WeakPolarHBondContact O-CA 3.43Å; S30-D33 WeakPolarHBondContact O-CB 3.18Å; S30-D33 PolarHBondContact O-N 2.88Å; S30-M34 PolarHBondContact O-N 3.38Å; S30-M34 VanDerWaalsContact O-N 3.09Å
31P81.3Confident72.2Confident91 Ų91122.8 Ų122.859%0.59164%0.636SS**Hα-helixtrans-51.4-29.9173.6-28.135.1000114.4M34 L35P31-M34 HydrophobicContact CB-CE 4.3Å; P31-M34 HydrophobicContact CG-CE 4.43Å; P31-L35 WeakPolarHBondContact O-CG 3.28Å; P31-L35 PolarHBondContact O-N 3.21Å; P31-L35 VanDerWaalsContact O-N 3.14Å
32A86.2Confident74.5Confident62 Ų62117.2 Ų117.251%0.51262%0.618SS.*Hα-helixtrans-68.7-36.5174.200000112.7S30 L35 R36S30-A32 PolarHBondContact O-N 3.3Å; S30-A32 PolarHBondContact OG-N 3.25Å; A32-L35 PolarHBondContact O-N 3.15Å; A32-R36 WeakPolarHBondContact O-CB 3.49Å; A32-R36 PolarHBondContact O-N 2.94Å
33D85.6Confident77.3Confident63 Ų63113 Ų11334%0.33760%0.596SS.*Hα-helixtrans-71.2-38.6176.9-64.1-39.4000110.9T29 S30 L35 R36 I37T29-D33 HydrophobicContact CG2-CB 3.55Å; S30-D33 WeakPolarHBondContact CB-OD2 3.37Å; S30-D33 PolarHBondContact N-OD2 3.23Å; S30-D33 WeakPolarHBondContact O-CA 3.43Å; S30-D33 WeakPolarHBondContact O-CB 3.18Å; S30-D33 PolarHBondContact O-N 2.88Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.65Å; D33-R36 WeakPolarHBondContact O-CB 3.42Å; D33-R36 PolarHBondContact O-N 3.28Å; D33-R36 IonicContact OD1-NH1 3.21Å; D33-I37 WeakPolarHBondContact O-CB 3.45Å; D33-I37 VanDerWaalsContact O-CG1 3.25Å; D33-I37 WeakPolarHBondContact O-CG1 3.42Å; D33-I37 PolarHBondContact O-N 3.38Å
34M86.4Confident79.8Confident112 Ų112109.9 Ų109.955%0.55259%0.588SS**Hα-helixtrans-60.5-41.8172.1-69.3-166.4-75.300112.3T29 S30 P31 I37 K38T29-M34 HydrophobicContact CG2-CG 4.08Å; S30-M34 PolarHBondContact O-N 3.38Å; S30-M34 VanDerWaalsContact O-N 3.09Å; P31-M34 HydrophobicContact CB-CE 4.3Å; P31-M34 HydrophobicContact CG-CE 4.43Å; M34-I37 PolarHBondContact O-N 3.12Å; M34-K38 WeakPolarHBondContact O-CB 3.19Å; M34-K38 PolarHBondContact O-N 2.98Å
35L89.3Confident82Confident120 Ų120107.1 Ų107.163%0.62857%0.572SS**Hα-helixtrans-65.1-40175.3-75.6169.2000111.9P31 A32 D33 K38 Q39P31-L35 WeakPolarHBondContact O-CG 3.28Å; P31-L35 PolarHBondContact O-N 3.21Å; P31-L35 VanDerWaalsContact O-N 3.14Å; A32-L35 PolarHBondContact O-N 3.15Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.65Å; L35-K38 PolarHBondContact O-N 3.07Å; L35-Q39 PolarHBondContact O-N 3.19Å
36R92.2Very high84.4Confident158 Ų158108.9 Ų108.960%0.59656%0.561SS**Hα-helixtrans-63.6-45.9175.7-176.5-178.2-73.5164.5-4111.5A32 D33 Q39 Q40A32-R36 WeakPolarHBondContact O-CB 3.49Å; A32-R36 PolarHBondContact O-N 2.94Å; D33-R36 WeakPolarHBondContact O-CB 3.42Å; D33-R36 PolarHBondContact O-N 3.28Å; D33-R36 IonicContact OD1-NH1 3.21Å; R36-Q39 PolarHBondContact O-N 3.47Å; R36-Q40 WeakPolarHBondContact O-CG 3.5Å; R36-Q40 PolarHBondContact O-N 3.14Å
37I91.2Very high86.3Confident80 Ų80105.8 Ų105.841%0.4155%0.546SS..Hα-helixtrans-61.5-45.2177-68.9164.2000110.2T29 D33 M34 Q39 Q40 M41T29-I37 HydrophobicContact CG2-CD1 4.35Å; D33-I37 WeakPolarHBondContact O-CB 3.45Å; D33-I37 VanDerWaalsContact O-CG1 3.25Å; D33-I37 WeakPolarHBondContact O-CG1 3.42Å; D33-I37 PolarHBondContact O-N 3.38Å; M34-I37 PolarHBondContact O-N 3.12Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.33Å; I37-Q40 PolarHBondContact O-N 3.48Å; I37-M41 HydrophobicContact CG2-CG 4.35Å; I37-M41 HydrophobicContact CG2-SD 4.07Å; I37-M41 WeakPolarHBondContact O-CG 3.32Å; I37-M41 PolarHBondContact O-N 3.48Å
38K92.8Very high87.5Confident155 Ų155102.1 Ų102.167%0.67453%0.53SS*.Hα-helixtrans-57.9-43.6176.1-176.7-179176.4-179.30111.9M34 L35 M41 A42M34-K38 WeakPolarHBondContact O-CB 3.19Å; M34-K38 PolarHBondContact O-N 2.98Å; L35-K38 PolarHBondContact O-N 3.07Å; K38-M41 PolarHBondContact O-N 3.31Å; K38-A42 WeakPolarHBondContact O-CB 3.41Å; K38-A42 PolarHBondContact O-N 3.45Å
39Q95.2Very high88.9Confident113 Ų11398.3 Ų98.353%0.52851%0.513SS..Hα-helixtrans-66.6-41177.4-173.561.849.200112L35 R36 I37 A42 N43L35-Q39 PolarHBondContact O-N 3.19Å; R36-Q39 PolarHBondContact O-N 3.47Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.33Å; Q39-A42 PolarHBondContact O-N 3.28Å; Q39-N43 PolarHBondContact NE2-OD1 2.93Å; Q39-N43 VanDerWaalsContact O-CG 3.25Å; Q39-N43 PolarHBondContact O-N 3.43Å; Q39-N43 PolarHBondContact O-OD1 3.4Å
40Q93.3Very high89.7Confident108 Ų10897.8 Ų97.851%0.50551%0.509SS..Hα-helixtrans-62.9-44176.2-76.8177.2-24.400111.7R36 I37 N43 Q44R36-Q40 WeakPolarHBondContact O-CG 3.5Å; R36-Q40 PolarHBondContact O-N 3.14Å; I37-Q40 PolarHBondContact O-N 3.48Å; Q40-N43 PolarHBondContact O-N 3.14Å; Q40-Q44 WeakPolarHBondContact O-CG 3.37Å; Q40-Q44 PolarHBondContact O-N 2.91Å
41M93.4Very high89.7Confident112 Ų112101.7 Ų101.755%0.55252%0.521SS*.Hα-helixtrans-63.2-42175.3-71.6-178.768.200111.8I37 K38 N43 Q44 C45I37-M41 HydrophobicContact CG2-CG 4.35Å; I37-M41 HydrophobicContact CG2-SD 4.07Å; I37-M41 WeakPolarHBondContact O-CG 3.32Å; I37-M41 PolarHBondContact O-N 3.48Å; K38-M41 PolarHBondContact O-N 3.31Å; M41-N43 VanDerWaalsContact C-N 3.32Å; M41-N43 PolarHBondContact O-N 2.97Å; M41-Q44 PolarHBondContact O-N 3.23Å; M41-C45 WeakPolarHBondContact O-CB 3.38Å; M41-C45 PolarHBondContact O-N 3.28Å; M41-C45 PolarHBondContact O-SG 3.11Å; M41-C45 VanDerWaalsContact O-SG 3.34Å
42A94.4Very high89.5Confident52 Ų52102.6 Ų102.643%0.4352%0.521SS..Hα-helixtrans-60.8-42.6176.100000111.6K38 Q39 C45 F46K38-A42 WeakPolarHBondContact O-CB 3.41Å; K38-A42 PolarHBondContact O-N 3.45Å; Q39-A42 PolarHBondContact O-N 3.28Å; A42-C45 PolarHBondContact O-N 2.96Å; A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 2.84Å
43N93.8Very high89.1Confident76 Ų76103.6 Ų103.641%0.40652%0.517SS..Hα-helixtrans-65.7-43.2176.5-69.4-2.6000111.8Q39 Q40 M41 C45 F46 E47Q39-N43 PolarHBondContact NE2-OD1 2.93Å; Q39-N43 VanDerWaalsContact O-CG 3.25Å; Q39-N43 PolarHBondContact O-N 3.43Å; Q39-N43 PolarHBondContact O-OD1 3.4Å; Q40-N43 PolarHBondContact O-N 3.14Å; M41-N43 VanDerWaalsContact C-N 3.32Å; M41-N43 PolarHBondContact O-N 2.97Å; N43-C45 PolarHBondContact O-N 3.45Å; N43-F46 WeakPolarHBondContact O-CB 3.37Å; N43-F46 PolarHBondContact O-N 2.95Å; N43-E47 WeakPolarHBondContact O-CG 3.43Å; N43-E47 PolarHBondContact O-N 3.21Å
44Q92.1Very high88.5Confident130 Ų130103.3 Ų103.361%0.60752%0.524SS*.Hα-helixtrans-62.5-42.5176-76.4-179.1-3.500112.2Q40 M41 F46 E47 M48Q40-Q44 WeakPolarHBondContact O-CG 3.37Å; Q40-Q44 PolarHBondContact O-N 2.91Å; M41-Q44 PolarHBondContact O-N 3.23Å; Q44-F46 VanDerWaalsContact C-N 3.3Å; Q44-F46 PolarHBondContact O-N 3.44Å; Q44-E47 PolarHBondContact O-N 3.17Å; Q44-M48 VanDerWaalsContact O-CB 3.31Å; Q44-M48 WeakPolarHBondContact O-CB 3.38Å; Q44-M48 PolarHBondContact O-N 3.47Å
45C91.5Very high87.2Confident67 Ų67100 Ų10045%0.45352%0.519SS..Hα-helixtrans-62.3-39.2174.5-74.10000111.8M41 A42 N43 T49M41-C45 WeakPolarHBondContact O-CB 3.38Å; M41-C45 PolarHBondContact O-N 3.28Å; M41-C45 PolarHBondContact O-SG 3.11Å; M41-C45 VanDerWaalsContact O-SG 3.34Å; A42-C45 PolarHBondContact O-N 2.96Å; N43-C45 PolarHBondContact O-N 3.45Å; C45-T49 WeakPolarHBondContact O-CB 3.46Å; C45-T49 PolarHBondContact O-N 3.43Å; C45-T49 PolarHBondContact O-OG1 3.48Å
46F94.6Very high85.8Confident138 Ų138101.9 Ų101.961%0.60552%0.522SS*.Hα-helixtrans-65.6-48.6175.2-180-99000111.6A42 N43 Q44 M48 T49 V50A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 2.84Å; N43-F46 WeakPolarHBondContact O-CB 3.37Å; N43-F46 PolarHBondContact O-N 2.95Å; Q44-F46 VanDerWaalsContact C-N 3.3Å; Q44-F46 PolarHBondContact O-N 3.44Å; F46-M48 VanDerWaalsContact C-N 3.34Å; F46-M48 PolarHBondContact O-N 2.9Å; F46-T49 WeakPolarHBondContact O-CB 3.46Å; F46-T49 PolarHBondContact O-N 2.92Å; F46-T49 VanDerWaalsContact O-N 3.12Å; F46-V50 HydrophobicContact CD1-CG2 4.09Å; F46-V50 HydrophobicContact CE1-CG2 3.67Å; F46-V50 HydrophobicContact CE2-CG2 4.21Å; F46-V50 HydrophobicContact CZ-CG2 3.73Å; F46-V50 WeakPolarHBondContact O-CG2 3.43Å; F46-V50 PolarHBondContact O-N 2.87Å
47E89.3Confident84.1Confident111 Ų11199.4 Ų99.452%0.51953%0.528SS..Hα-helixtrans-59-43.9176.9-76.1177.2-162.200111.8N43 Q44 T49 V50 Q51N43-E47 WeakPolarHBondContact O-CG 3.43Å; N43-E47 PolarHBondContact O-N 3.21Å; Q44-E47 PolarHBondContact O-N 3.17Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.31Å; E47-V50 PolarHBondContact O-N 3.38Å; E47-Q51 WeakPolarHBondContact O-CB 3.42Å; E47-Q51 VanDerWaalsContact O-CG 3.3Å; E47-Q51 WeakPolarHBondContact O-CG 3.3Å; E47-Q51 PolarHBondContact O-N 3.34Å
48M84.9Confident82.5Confident110 Ų110103.7 Ų103.754%0.54254%0.544SS..Hα-helixtrans-62.7-39.7175.7-172173.659.800111.5Q44 F46 Q51 L52Q44-M48 VanDerWaalsContact O-CB 3.31Å; Q44-M48 WeakPolarHBondContact O-CB 3.38Å; Q44-M48 PolarHBondContact O-N 3.47Å; F46-M48 VanDerWaalsContact C-N 3.34Å; F46-M48 PolarHBondContact O-N 2.9Å; M48-Q51 PolarHBondContact O-N 3.35Å; M48-L52 HydrophobicContact CG-CD1 4.4Å; M48-L52 WeakPolarHBondContact O-CB 3.37Å; M48-L52 VanDerWaalsContact O-CG 3.28Å; M48-L52 WeakPolarHBondContact O-CG 3.42Å; M48-L52 PolarHBondContact O-N 2.9Å
49T88.4Confident80.7Confident70 Ų70106 Ų10643%0.42955%0.549SS..Hα-helixtrans-65.1-41.9175.1-59.90000111.6C45 F46 E47 L52 N53C45-T49 WeakPolarHBondContact O-CB 3.46Å; C45-T49 PolarHBondContact O-N 3.43Å; C45-T49 PolarHBondContact O-OG1 3.48Å; F46-T49 WeakPolarHBondContact O-CB 3.46Å; F46-T49 PolarHBondContact O-N 2.92Å; F46-T49 VanDerWaalsContact O-N 3.12Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.31Å; T49-L52 PolarHBondContact O-N 3.02Å; T49-N53 WeakPolarHBondContact O-CB 3.45Å; T49-N53 PolarHBondContact O-N 2.89Å; T49-N53 PolarHBondContact O-ND2 3.43Å; T49-N53 VanDerWaalsContact O-ND2 3.16Å
50V85.4Confident78.8Confident71 Ų71105.6 Ų105.643%0.4356%0.556SS.*Hα-helixtrans-64.2-43.7175.4171.50000110.5F46 E47 N53 A54F46-V50 HydrophobicContact CD1-CG2 4.09Å; F46-V50 HydrophobicContact CE1-CG2 3.67Å; F46-V50 HydrophobicContact CE2-CG2 4.21Å; F46-V50 HydrophobicContact CZ-CG2 3.73Å; F46-V50 WeakPolarHBondContact O-CG2 3.43Å; F46-V50 PolarHBondContact O-N 2.87Å; E47-V50 PolarHBondContact O-N 3.38Å; V50-N53 PolarHBondContact O-N 2.92Å; V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 2.96Å
51Q82.9Confident76.9Confident136 Ų136104.4 Ų104.464%0.63656%0.558SS**Hα-helixtrans-64.6-41.1177-72.5-179.833.500112.2E47 M48 A54 G55E47-Q51 WeakPolarHBondContact O-CB 3.42Å; E47-Q51 VanDerWaalsContact O-CG 3.3Å; E47-Q51 WeakPolarHBondContact O-CG 3.3Å; E47-Q51 PolarHBondContact O-N 3.34Å; M48-Q51 PolarHBondContact O-N 3.35Å; Q51-A54 PolarHBondContact O-N 2.95Å; Q51-G55 PolarHBondContact O-N 3.21Å
52L77.5Confident75.4Confident111 Ų111100.7 Ų100.758%0.58154%0.543SS*.Hα-helixtrans-62.9-41.2174-76.1171.6000111.8M48 T49 G55 K56M48-L52 HydrophobicContact CG-CD1 4.4Å; M48-L52 WeakPolarHBondContact O-CB 3.37Å; M48-L52 VanDerWaalsContact O-CG 3.28Å; M48-L52 WeakPolarHBondContact O-CG 3.42Å; M48-L52 PolarHBondContact O-N 2.9Å; T49-L52 PolarHBondContact O-N 3.02Å; L52-G55 PolarHBondContact O-N 3.41Å; L52-K56 WeakPolarHBondContact O-CG 3.3Å; L52-K56 PolarHBondContact O-N 2.99Å
53N76.9Confident73.8Confident83 Ų83103 Ų10344%0.44455%0.552SS.*Hα-helixtrans-75.1-33.7178.3-72.3-34.3000112.7T49 V50 G55 K56T49-N53 WeakPolarHBondContact O-CB 3.45Å; T49-N53 PolarHBondContact O-N 2.89Å; T49-N53 PolarHBondContact O-ND2 3.43Å; T49-N53 VanDerWaalsContact O-ND2 3.16Å; V50-N53 PolarHBondContact O-N 2.92Å; N53-G55 VanDerWaalsContact C-N 3.34Å; N53-K56 PolarHBondContact O-N 3.47Å; N53-K56 PolarHBondContact OD1-NZ 2.83Å
54A72.8Confident72.6Confident57 Ų57103 Ų10347%0.47156%0.559SS.*Hα-helixtrans-69-33.9171.700000111.7V50 Q51 K56 S57V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 2.96Å; Q51-A54 PolarHBondContact O-N 2.95Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.32Å; A54-S57 WeakPolarHBondContact O-CB 3.36Å; A54-S57 PolarHBondContact O-N 3.25Å
55G59.3Low71.2Confident43 Ų43101.4 Ų101.444%0.44355%0.551SS.*Hα-helixtrans-66-27.3173.900000113.8Q51 L52 N53 S57 K58Q51-G55 PolarHBondContact O-N 3.21Å; L52-G55 PolarHBondContact O-N 3.41Å; N53-G55 VanDerWaalsContact C-N 3.34Å; G55-S57 PolarHBondContact O-N 2.86Å; G55-K58 PolarHBondContact O-N 3.31Å
56K60.5Low70.1Confident159 Ų159100.6 Ų100.669%0.69155%0.549SS*.THydrogen-bonded Turntrans-68-20.7172.1-68.4170.6-173.1166.90113.5L52 N53 A54L52-K56 WeakPolarHBondContact O-CG 3.3Å; L52-K56 PolarHBondContact O-N 2.99Å; N53-K56 PolarHBondContact O-N 3.47Å; N53-K56 PolarHBondContact OD1-NZ 2.83Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.32Å
57S56.3Low69.1Low106 Ų106100 Ų10074%0.74155%0.548SS*.THydrogen-bonded Turntrans-88.1-23.5179.3-177.30000113A54 G55 R59A54-S57 WeakPolarHBondContact O-CB 3.36Å; A54-S57 PolarHBondContact O-N 3.25Å; G55-S57 PolarHBondContact O-N 2.86Å; S57-R59 PolarHBondContact O-N 3.35Å; S57-R59 VanDerWaalsContact O-N 3.09Å
58K57.6Low68.6Low170 Ų170104.2 Ų104.274%0.73956%0.559SS**SBendtrans-78.298.8169.4-73.2-176179.9179.30108G55 P60G55-K58 PolarHBondContact O-N 3.31Å; K58-P60 WeakPolarHBondContact O-CD 3.49Å
59R55Low68.6Low203 Ų203103.2 Ų103.277%0.76655%0.554SS**  trans-32.9103.1167.4175.7-177.4-90.3168.8-7.6108.8S57 C61S57-R59 PolarHBondContact O-N 3.35Å; S57-R59 VanDerWaalsContact O-N 3.09Å; R59-C61 PolarHBondContact O-N 3.28Å
60P54.6Low68.6Low104 Ų104104.4 Ų104.468%0.67556%0.557SS**  trans-57.8141.3161.326.8-30.8000105.1K58 S62K58-P60 WeakPolarHBondContact O-CD 3.49Å; P60-S62 WeakPolarHBondContact O-CA 3.49Å; P60-S62 PolarHBondContact O-N 3.34Å
61C54.7Low69Low83 Ų83104.7 Ų104.756%0.56156%0.56SS**SBendtrans-25.5110.3175.2-175.60000109.6R59 T63R59-C61 PolarHBondContact O-N 3.28Å; C61-T63 PolarHBondContact O-N 2.96Å; C61-T63 VanDerWaalsContact O-N 3.09Å
62S59.9Low69.5Low34 Ų34103.9 Ų103.924%0.23856%0.56CS.*  trans-49.5126.7-168.2-6.50000107.1P60 S64 Q65 A66P60-S62 WeakPolarHBondContact O-CA 3.49Å; P60-S62 PolarHBondContact O-N 3.34Å; S62-S64 PolarHBondContact O-N 2.99Å; S62-Q65 PolarHBondContact O-N 3.49Å; S62-A66 PolarHBondContact O-N 2.97Å
63T61.3Low70.1Confident101 Ų101102.3 Ų102.362%0.6256%0.557SS**Hα-helixtrans-48-32.2-176.8-40.60000111.5C61 Q65 A66 E67C61-T63 PolarHBondContact O-N 2.96Å; C61-T63 VanDerWaalsContact O-N 3.09Å; T63-Q65 PolarHBondContact O-N 3.18Å; T63-A66 PolarHBondContact O-N 2.89Å; T63-E67 HydrophobicContact CG2-CG 4.46Å; T63-E67 WeakPolarHBondContact CG2-OE1 3.3Å; T63-E67 WeakPolarHBondContact O-CB 3.29Å; T63-E67 VanDerWaalsContact O-CG 3.22Å; T63-E67 WeakPolarHBondContact O-CG 3.38Å; T63-E67 PolarHBondContact O-N 2.91Å
64S68.3Low71Confident77 Ų77102.4 Ų102.454%0.53856%0.557SS.*Hα-helixtrans-64.8-26.1174.9790000116.3S62 R68S62-S64 PolarHBondContact O-N 2.99Å; S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 3.29Å
65Q64.2Low72.1Confident95 Ų95103.3 Ų103.344%0.44456%0.56SS.*Hα-helixtrans-81-43.3175.3-178.8164.40.200110.5S62 T63 E67 R68 E69S62-Q65 PolarHBondContact O-N 3.49Å; T63-Q65 PolarHBondContact O-N 3.18Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.33Å; Q65-R68 PolarHBondContact O-N 3.3Å; Q65-R68 VanDerWaalsContact O-N 3.17Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.02Å; Q65-E69 WeakPolarHBondContact O-CG 3.35Å; Q65-E69 PolarHBondContact O-N 3.38Å
66A66.8Low73.8Confident51 Ų51105.5 Ų105.542%0.42156%0.559SS.*Hα-helixtrans-62.2-39.6173.100000112.1S62 T63 R68 E69 L70S62-A66 PolarHBondContact O-N 2.97Å; T63-A66 PolarHBondContact O-N 2.89Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-E69 PolarHBondContact O-N 2.93Å; A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.37Å
67E74.3Confident75.5Confident125 Ų125103.6 Ų103.658%0.58456%0.555SS**Hα-helixtrans-66.2-33173.9-75.3168.7-178.400112.9T63 Q65T63-E67 HydrophobicContact CG2-CG 4.46Å; T63-E67 WeakPolarHBondContact CG2-OE1 3.3Å; T63-E67 WeakPolarHBondContact O-CB 3.29Å; T63-E67 VanDerWaalsContact O-CG 3.22Å; T63-E67 WeakPolarHBondContact O-CG 3.38Å; T63-E67 PolarHBondContact O-N 2.91Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.33Å
68R79.6Confident77.5Confident199 Ų199104.7 Ų104.775%0.75155%0.549SS*.Hα-helixtrans-72.3-36.5176.5-173.6-173-68.9-166.9-2.8112.2S64 Q65 A66 P71S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 3.29Å; Q65-R68 PolarHBondContact O-N 3.3Å; Q65-R68 VanDerWaalsContact O-N 3.17Å; A66-R68 VanDerWaalsContact C-N 3.33Å; R68-P71 WeakPolarHBondContact O-CD 3.36Å
69E84.8Confident79.4Confident90 Ų90102.7 Ų102.742%0.42154%0.537SS..Hα-helixtrans-85.3-13.1-178.6-67.7170.9-16300112.8Q65 A66 D72 C73Q65-E69 WeakPolarHBondContact CG-OE1 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.02Å; Q65-E69 WeakPolarHBondContact O-CG 3.35Å; Q65-E69 PolarHBondContact O-N 3.38Å; A66-E69 PolarHBondContact O-N 2.93Å; E69-D72 PolarHBondContact O-N 3.21Å; E69-C73 PolarHBondContact O-N 3.3Å; E69-C73 PolarHBondContact O-SG 3.34Å; E69-C73 VanDerWaalsContact O-SG 3.33Å
70L89Confident81.5Confident94 Ų9496.4 Ų96.449%0.49252%0.521SS..Hα-helixtrans-59.3-44.6-179.3-178.264.3000113.9A66 D72 C73 I74A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.37Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 2.97Å; L70-C73 PolarHBondContact O-N 2.95Å; L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-I74 HydrophobicContact CD1-CG1 4.18Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 HydrophobicContact CG-CG1 4.43Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.99Å
71P92.3Very high83.5Confident78 Ų7898.6 Ų98.651%0.50652%0.52SS..Hα-helixtrans-60.8-40.4177.5-22.734.9000112.7R68 I74 S75R68-P71 WeakPolarHBondContact O-CD 3.36Å; P71-I74 PolarHBondContact O-N 2.91Å; P71-S75 WeakPolarHBondContact O-CB 3.37Å; P71-S75 PolarHBondContact O-N 3.34Å
72D92.9Very high85.6Confident118 Ų11898.4 Ų98.463%0.63152%0.516SS*.Hα-helixtrans-67.7-42.4178.6-67.4-16.4000110.7E69 L70 I74 S75 E76E69-D72 PolarHBondContact O-N 3.21Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 2.97Å; D72-I74 PolarHBondContact O-N 3.43Å; D72-S75 PolarHBondContact O-N 3.49Å; D72-E76 WeakPolarHBondContact O-CB 3.3Å; D72-E76 PolarHBondContact O-N 3.43Å
73C91.3Very high87.4Confident78 Ų78100.1 Ų100.153%0.52753%0.525SS..Hα-helixtrans-62.2-40.9174.4-70.40000112.5E69 L70 L77E69-C73 PolarHBondContact O-N 3.3Å; E69-C73 PolarHBondContact O-SG 3.34Å; E69-C73 VanDerWaalsContact O-SG 3.33Å; L70-C73 PolarHBondContact O-N 2.95Å; C73-L77 VanDerWaalsContact O-CB 3.28Å; C73-L77 WeakPolarHBondContact O-CB 3.35Å; C73-L77 PolarHBondContact O-N 2.87Å
74I94.8Very high89.1Confident85 Ų85101.4 Ų101.444%0.43652%0.523SS..Hα-helixtrans-65.4-46.3176.1-70.3168.5000110.2L70 P71 D72 E76 L77 E78L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-I74 HydrophobicContact CD1-CG1 4.18Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 HydrophobicContact CG-CG1 4.43Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.99Å; P71-I74 PolarHBondContact O-N 2.91Å; D72-I74 PolarHBondContact O-N 3.43Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.45Å; I74-L77 PolarHBondContact O-N 2.9Å; I74-E78 WeakPolarHBondContact O-CG 3.25Å; I74-E78 PolarHBondContact O-N 3.38Å
75S95.9Very high90.5Very high77 Ų77104 Ų10454%0.53853%0.525SS..Hα-helixtrans-59-45.1177.8-175.40000111.4P71 D72 E78 R79P71-S75 WeakPolarHBondContact O-CB 3.37Å; P71-S75 PolarHBondContact O-N 3.34Å; D72-S75 PolarHBondContact O-N 3.49Å; S75-E78 PolarHBondContact O-N 2.93Å; S75-R79 WeakPolarHBondContact O-CB 3.35Å; S75-R79 PolarHBondContact O-N 3.49Å
76E96.5Very high92.1Very high89 Ų89103.6 Ų103.642%0.41653%0.526SS..Hα-helixtrans-66.4-39.4178.2-176.256.8-162.600111.7D72 I74 R79 V80D72-E76 WeakPolarHBondContact O-CB 3.3Å; D72-E76 PolarHBondContact O-N 3.43Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.45Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-R79 IonicContact OE1-CZ 3.34Å; E76-R79 IonicContact OE1-NE 2.81Å; E76-R79 PolarHBondContact OE1-NE 3.49Å; E76-R79 IonicContact OE1-NH2 2.66Å; E76-R79 PolarHBondContact OE1-NH2 2.99Å; E76-R79 IonicContact OE2-CZ 3.72Å; E76-R79 IonicContact OE2-NE 3.12Å; E76-R79 PolarHBondContact OE2-NE 3.04Å; E76-R79 IonicContact OE2-NH2 3.78Å; E76-V80 WeakPolarHBondContact O-CB 3.43Å; E76-V80 WeakPolarHBondContact O-CG2 3.5Å; E76-V80 PolarHBondContact O-N 3.16Å
77L96.5Very high93.6Very high118 Ų118104.5 Ų104.562%0.61853%0.53SS*.Hα-helixtrans-62-45.4174.1-179.964000111.7C73 I74 R79 V80 K81C73-L77 VanDerWaalsContact O-CB 3.28Å; C73-L77 WeakPolarHBondContact O-CB 3.35Å; C73-L77 PolarHBondContact O-N 2.87Å; I74-L77 PolarHBondContact O-N 2.9Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.14Å; L77-V80 PolarHBondContact O-N 2.88Å; L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.45Å
78E97.6Very high94.7Very high129 Ų129100.5 Ų100.560%0.60352%0.515SS*.Hα-helixtrans-63.5-39.2176.6-72.4-154.4157.700112I74 S75 K81 T82I74-E78 WeakPolarHBondContact O-CG 3.25Å; I74-E78 PolarHBondContact O-N 3.38Å; S75-E78 PolarHBondContact O-N 2.93Å; E78-K81 PolarHBondContact O-N 2.92Å; E78-T82 WeakPolarHBondContact O-CB 3.22Å; E78-T82 PolarHBondContact O-N 2.73Å; E78-T82 PolarHBondContact O-OG1 2.89Å
79R97.6Very high95.6Very high128 Ų12893.8 Ų93.848%0.48349%0.494SS..Hα-helixtrans-60.9-52.5174.5-168.7-164.97275.71.4110.8S75 E76 L77 K81 T82 V83S75-R79 WeakPolarHBondContact O-CB 3.35Å; S75-R79 PolarHBondContact O-N 3.49Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-R79 IonicContact OE1-CZ 3.34Å; E76-R79 IonicContact OE1-NE 2.81Å; E76-R79 PolarHBondContact OE1-NE 3.49Å; E76-R79 IonicContact OE1-NH2 2.66Å; E76-R79 PolarHBondContact OE1-NH2 2.99Å; E76-R79 IonicContact OE2-CZ 3.72Å; E76-R79 IonicContact OE2-NE 3.12Å; E76-R79 PolarHBondContact OE2-NE 3.04Å; E76-R79 IonicContact OE2-NH2 3.78Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.14Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 2.75Å; R79-T82 PolarHBondContact O-N 3.38Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.42Å
80V97.8Very high96.2Very high71 Ų7191.8 Ų91.843%0.4349%0.493SS..Hα-helixtrans-61.6-43.3179.5170.80000110.8E76 L77 T82 V83 H84E76-V80 WeakPolarHBondContact O-CB 3.43Å; E76-V80 WeakPolarHBondContact O-CG2 3.5Å; E76-V80 PolarHBondContact O-N 3.16Å; L77-V80 PolarHBondContact O-N 2.88Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 2.94Å; V80-V83 PolarHBondContact O-N 3.35Å; V80-H84 WeakPolarHBondContact O-CB 3.34Å; V80-H84 PolarHBondContact O-N 3.43Å
81K97.9Very high96.6Very high151 Ų15191.7 Ų91.766%0.65749%0.492SS*.Hα-helixtrans-58.7-45.1176.1-177.2-179.4178.1-177.40111.6L77 E78 R79 H84 F85L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.45Å; E78-K81 PolarHBondContact O-N 2.92Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 2.75Å; K81-H84 PolarHBondContact O-N 3.41Å; K81-F85 WeakPolarHBondContact O-CB 3.33Å; K81-F85 PolarHBondContact O-N 2.93Å
82T97.8Very high96.9Very high78 Ų7893.8 Ų93.848%0.47950%0.495SS..Hα-helixtrans-63.5-45.1177.6-60.20000111.3E78 R79 V80 F85 N86E78-T82 WeakPolarHBondContact O-CB 3.22Å; E78-T82 PolarHBondContact O-N 2.73Å; E78-T82 PolarHBondContact O-OG1 2.89Å; R79-T82 PolarHBondContact O-N 3.38Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 2.94Å; T82-F85 PolarHBondContact O-N 3.36Å; T82-N86 WeakPolarHBondContact O-CB 3.36Å; T82-N86 PolarHBondContact O-N 2.93Å; T82-N86 PolarHBondContact O-ND2 2.93Å
83V98.1Very high97Very high70 Ų7095 Ų9542%0.42449%0.491SS..Hα-helixtrans-61.6-46.8177.1170.60000111R79 V80 N86 S87R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.42Å; V80-V83 PolarHBondContact O-N 3.35Å; V83-N86 PolarHBondContact O-N 2.83Å; V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.35Å; V83-S87 PolarHBondContact O-N 2.92Å; V83-S87 PolarHBondContact O-OG 3.31Å
84H97.8Very high97.2Very high128 Ų12896.8 Ų96.859%0.59349%0.494SS*.Hα-helixtrans-61.4-46.5178.8175.8-91000111.6V80 K81 S87 S88V80-H84 WeakPolarHBondContact O-CB 3.34Å; V80-H84 PolarHBondContact O-N 3.43Å; K81-H84 PolarHBondContact O-N 3.41Å; H84-S87 PolarHBondContact O-N 3.44Å; H84-S88 WeakPolarHBondContact O-CB 3.49Å; H84-S88 PolarHBondContact O-N 3.12Å; H84-S88 PolarHBondContact O-OG 3.44Å
85F98.2Very high97.4Very high131 Ų13197.6 Ų97.658%0.57550%0.496SS*.Hα-helixtrans-60.1-48.7177.3-179.8-97000111.8K81 T82 S87 S88 L89K81-F85 WeakPolarHBondContact O-CB 3.33Å; K81-F85 PolarHBondContact O-N 2.93Å; T82-F85 PolarHBondContact O-N 3.36Å; F85-S87 VanDerWaalsContact C-N 3.33Å; F85-S87 PolarHBondContact O-N 3.23Å; F85-S88 PolarHBondContact O-N 3.42Å; F85-L89 HydrophobicContact CE1-CD2 4.29Å; F85-L89 WeakPolarHBondContact O-CB 3.5Å; F85-L89 PolarHBondContact O-N 2.96Å
86N97.6Very high97.3Very high88 Ų8899.1 Ų99.147%0.47150%0.496SS..Hα-helixtrans-62.3-40.8178.6-72.8-18.2000112T82 V83 L89 A90T82-N86 WeakPolarHBondContact O-CB 3.36Å; T82-N86 PolarHBondContact O-N 2.93Å; T82-N86 PolarHBondContact O-ND2 2.93Å; V83-N86 PolarHBondContact O-N 2.83Å; N86-L89 PolarHBondContact O-N 3.43Å; N86-A90 WeakPolarHBondContact O-CB 3.49Å; N86-A90 PolarHBondContact O-N 2.91Å
87S97.8Very high97.2Very high70 Ų70100.1 Ų100.149%0.4950%0.496SS..Hα-helixtrans-64.9-44.9178.1-580000111.4V83 H84 F85 A90 L91V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.35Å; V83-S87 PolarHBondContact O-N 2.92Å; V83-S87 PolarHBondContact O-OG 3.31Å; H84-S87 PolarHBondContact O-N 3.44Å; F85-S87 VanDerWaalsContact C-N 3.33Å; F85-S87 PolarHBondContact O-N 3.23Å; S87-A90 PolarHBondContact O-N 2.94Å; S87-L91 PolarHBondContact O-N 3.43Å
88S98Very high97Very high40 Ų4099.5 Ų99.528%0.2849%0.493SS..Hα-helixtrans-63.3-43.6176.9-61.40000111.6H84 F85 A90 L91 H92H84-S88 WeakPolarHBondContact O-CB 3.49Å; H84-S88 PolarHBondContact O-N 3.12Å; H84-S88 PolarHBondContact O-OG 3.44Å; F85-S88 PolarHBondContact O-N 3.42Å; S88-A90 PolarHBondContact O-N 3.47Å; S88-L91 PolarHBondContact O-N 3.27Å; S88-H92 PolarHBondContact O-N 2.93Å
89L97.6Very high96.8Very high59 Ų5996.1 Ų96.131%0.30949%0.487SS..Hα-helixtrans-63.2-41.5176.8-179.161.5000111.9F85 N86 R93F85-L89 HydrophobicContact CE1-CD2 4.29Å; F85-L89 WeakPolarHBondContact O-CB 3.5Å; F85-L89 PolarHBondContact O-N 2.96Å; N86-L89 PolarHBondContact O-N 3.43Å; L89-R93 WeakPolarHBondContact O-CB 3.26Å; L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.43Å; L89-R93 PolarHBondContact O-N 3.45Å
90A97.3Very high96.4Very high47 Ų4791.9 Ų91.939%0.38847%0.474SS..Hα-helixtrans-62.1-45.6175.900000111.3N86 S87 S88 R93 I94N86-A90 WeakPolarHBondContact O-CB 3.49Å; N86-A90 PolarHBondContact O-N 2.91Å; S87-A90 PolarHBondContact O-N 2.94Å; S88-A90 PolarHBondContact O-N 3.47Å; A90-R93 PolarHBondContact O-N 2.66Å; A90-I94 VanDerWaalsContact O-CG1 3.3Å; A90-I94 WeakPolarHBondContact O-CG1 3.5Å; A90-I94 PolarHBondContact O-N 3.43Å
91L97.8Very high96Very high92 Ų9289.5 Ų89.548%0.48246%0.463SS..Hα-helixtrans-59.6-49.4177.1-179.862.1000111.7S87 S88 R93 I94 Q95S87-L91 PolarHBondContact O-N 3.43Å; S88-L91 PolarHBondContact O-N 3.27Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.85Å; L91-I94 PolarHBondContact O-N 3.24Å; L91-Q95 HydrophobicContact CD1-CG 4.31Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 2.79Å
92H98Very high95.6Very high122 Ų12286.3 Ų86.357%0.56545%0.451SS*.Hα-helixtrans-59.6-41.1177.6-73.8165.1000112.4S88 I94 Q95 M96S88-H92 PolarHBondContact O-N 2.93Å; H92-I94 PolarHBondContact O-N 2.74Å; H92-Q95 PolarHBondContact O-N 2.91Å; H92-M96 VanDerWaalsContact O-CB 3.28Å; H92-M96 WeakPolarHBondContact O-CB 3.44Å; H92-M96 PolarHBondContact O-N 3.47Å
93R95.8Very high95.1Very high144 Ų14488 Ų8854%0.54345%0.452SS..Hα-helixtrans-62.9-41.3176.2-75.8172.3174.4177.2-1112.1L89 A90 L91 W97L89-R93 WeakPolarHBondContact O-CB 3.26Å; L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.43Å; L89-R93 PolarHBondContact O-N 3.45Å; A90-R93 PolarHBondContact O-N 2.66Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.85Å; R93-W97 WeakPolarHBondContact O-CB 3.32Å; R93-W97 PolarHBondContact O-N 3.48Å
94I96.1Very high94.4Very high115 Ų11586.1 Ų86.159%0.5944%0.438SS*.Hα-helixtrans-63.5-48.1176.5-69.2164.3000110.2A90 L91 H92 M96 W97 N98A90-I94 VanDerWaalsContact O-CG1 3.3Å; A90-I94 WeakPolarHBondContact O-CG1 3.5Å; A90-I94 PolarHBondContact O-N 3.43Å; L91-I94 PolarHBondContact O-N 3.24Å; H92-I94 PolarHBondContact O-N 2.74Å; I94-M96 PolarHBondContact O-N 2.93Å; I94-W97 PolarHBondContact O-N 3.12Å; I94-N98 WeakPolarHBondContact O-CB 3.4Å; I94-N98 PolarHBondContact O-N 3.05Å
95Q97.6Very high93.9Very high102 Ų10286.9 Ų86.948%0.47744%0.44SS..Hα-helixtrans-61.5-44.5179.1-71.7172.7-22.700111.9L91 H92 N98 A99L91-Q95 HydrophobicContact CD1-CG 4.31Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 2.79Å; H92-Q95 PolarHBondContact O-N 2.91Å; Q95-N98 WeakPolarHBondContact O-CB 3.46Å; Q95-N98 PolarHBondContact O-N 3.29Å; Q95-A99 PolarHBondContact O-N 3.41Å
96M94.9Very high93.2Very high110 Ų11085.1 Ų85.154%0.54243%0.434SS..Hα-helixtrans-62.3-46.1176.7-176.7173.965.500111.6H92 I94 N98 A99 I100H92-M96 VanDerWaalsContact O-CB 3.28Å; H92-M96 WeakPolarHBondContact O-CB 3.44Å; H92-M96 PolarHBondContact O-N 3.47Å; I94-M96 PolarHBondContact O-N 2.93Å; M96-N98 VanDerWaalsContact C-N 3.31Å; M96-N98 PolarHBondContact O-N 2.89Å; M96-A99 PolarHBondContact O-N 2.8Å; M96-I100 HydrophobicContact CG-CD1 3.99Å; M96-I100 VanDerWaalsContact O-CG1 3.32Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 3.13Å
97W93.4Very high92Very high110 Ų11088.2 Ų88.242%0.41746%0.456SS..Hα-helixtrans-64.2-36176.5-89.6128.9000112.9R93 I94 I100 G101 C121R93-W97 WeakPolarHBondContact O-CB 3.32Å; R93-W97 PolarHBondContact O-N 3.48Å; I94-W97 PolarHBondContact O-N 3.12Å; W97-I100 HydrophobicContact CD2-CD1 4.44Å; W97-I100 HydrophobicContact CE3-CB 4Å; W97-I100 HydrophobicContact CE3-CD1 3.81Å; W97-I100 HydrophobicContact CE3-CG2 3.84Å; W97-I100 HydrophobicContact CZ3-CB 4.31Å; W97-I100 HydrophobicContact CZ3-CD1 3.92Å; W97-I100 HydrophobicContact CZ3-CG2 3.7Å; W97-I100 PolarHBondContact O-N 3.02Å; W97-G101 PolarHBondContact O-N 3.45Å; W97-C121 HydrophobicContact CH2-CB 4.19Å; W97-C121 HydrophobicContact CZ2-CB 4.17Å
98N93.5Very high91Very high104 Ų10488.1 Ų88.156%0.55645%0.45SS*.Hα-helixtrans-63.3-46.5174.3-170.751.3000111.3I94 Q95 M96 I100 G101 E102I94-N98 WeakPolarHBondContact O-CB 3.4Å; I94-N98 PolarHBondContact O-N 3.05Å; Q95-N98 WeakPolarHBondContact O-CB 3.46Å; Q95-N98 PolarHBondContact O-N 3.29Å; M96-N98 VanDerWaalsContact C-N 3.31Å; M96-N98 PolarHBondContact O-N 2.89Å; N98-I100 PolarHBondContact O-N 3.34Å; N98-G101 WeakPolarHBondContact O-CA 3.22Å; N98-G101 PolarHBondContact O-N 2.93Å; N98-G101 VanDerWaalsContact O-N 3.11Å; N98-E102 PolarHBondContact O-N 2.98Å
99A92.1Very high89.9Confident58 Ų5891.4 Ų91.448%0.47947%0.471SS..Hα-helixtrans-61.2-42.3176.600000112.5Q95 M96 G101 E102 K103Q95-A99 PolarHBondContact O-N 3.41Å; M96-A99 PolarHBondContact O-N 2.8Å; A99-G101 VanDerWaalsContact C-N 3.32Å; A99-E102 PolarHBondContact O-N 3.48Å; A99-K103 PolarHBondContact O-N 3.22Å; A99-K103 VanDerWaalsContact O-N 3.07Å
100I89.4Confident89.2Confident39 Ų3994 Ų9420%0.249%0.485CS..Hα-helixtrans-61-43172.6-69.8164.9000110.5M96 W97 N98 E102 K103 M104 L114M96-I100 HydrophobicContact CG-CD1 3.99Å; M96-I100 VanDerWaalsContact O-CG1 3.32Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 3.13Å; W97-I100 HydrophobicContact CD2-CD1 4.44Å; W97-I100 HydrophobicContact CE3-CB 4Å; W97-I100 HydrophobicContact CE3-CD1 3.81Å; W97-I100 HydrophobicContact CE3-CG2 3.84Å; W97-I100 HydrophobicContact CZ3-CB 4.31Å; W97-I100 HydrophobicContact CZ3-CD1 3.92Å; W97-I100 HydrophobicContact CZ3-CG2 3.7Å; W97-I100 PolarHBondContact O-N 3.02Å; N98-I100 PolarHBondContact O-N 3.34Å; I100-E102 PolarHBondContact O-N 2.81Å; I100-K103 PolarHBondContact O-N 2.91Å; I100-M104 HydrophobicContact CG2-CE 3.84Å; I100-M104 HydrophobicContact CG2-SD 4.33Å; I100-M104 WeakPolarHBondContact O-CG 3.38Å; I100-M104 PolarHBondContact O-N 3.33Å; I100-L114 HydrophobicContact CG2-CD1 3.97Å; I100-L114 HydrophobicContact CG2-CD2 4.08Å; I100-L114 HydrophobicContact CG2-CG 4.07Å
101G89.3Confident88.6Confident21 Ų2192 Ų9222%0.21647%0.468CS..Hα-helixtrans-55.1-48.2175.100000113W97 N98 A99 M104W97-G101 PolarHBondContact O-N 3.45Å; N98-G101 WeakPolarHBondContact O-CA 3.22Å; N98-G101 PolarHBondContact O-N 2.93Å; N98-G101 VanDerWaalsContact O-N 3.11Å; A99-G101 VanDerWaalsContact C-N 3.32Å; G101-M104 PolarHBondContact O-N 3.4Å
102E89.8Confident88Confident85 Ų8592.4 Ų92.440%0.39747%0.474SS..Hα-helixtrans-66.2-37177.1-64.3-49.9135.400112.5N98 A99 I100 K105N98-E102 PolarHBondContact O-N 2.98Å; A99-E102 PolarHBondContact O-N 3.48Å; I100-E102 PolarHBondContact O-N 2.81Å; E102-K105 PolarHBondContact O-N 2.87Å; E102-K105 IonicContact OE1-NZ 2.65Å; E102-K105 PolarHBondContact OE1-NZ 3.33Å; E102-K105 WeakPolarHBondContact OE2-CD 3.35Å; E102-K105 IonicContact OE2-NZ 2.88Å; E102-K105 PolarHBondContact OE2-NZ 2.88Å
103K86.4Confident87.5Confident113 Ų11392 Ų9249%0.49148%0.477SS..Hα-helixtrans-64.1-39.1175.2-79.7-73.3178.9-178.20112.7A99 I100 K105 Q106 L114A99-K103 PolarHBondContact O-N 3.22Å; A99-K103 VanDerWaalsContact O-N 3.07Å; I100-K103 PolarHBondContact O-N 2.91Å; K103-K105 PolarHBondContact O-N 3.48Å; K103-Q106 WeakPolarHBondContact O-CB 3.28Å; K103-Q106 PolarHBondContact O-N 3.23Å; K103-Q106 VanDerWaalsContact O-N 3.13Å; K103-L114 HydrophobicContact CB-CD2 4.23Å
104M85.1Confident87.2Confident30 Ų3087.8 Ų87.815%0.14847%0.465CS..Hα-helixtrans-66.7-17.3177.3-71.9-174.8-66.500114.5I100 G101 L114 K115I100-M104 HydrophobicContact CG2-CE 3.84Å; I100-M104 HydrophobicContact CG2-SD 4.33Å; I100-M104 WeakPolarHBondContact O-CG 3.38Å; I100-M104 PolarHBondContact O-N 3.33Å; G101-M104 PolarHBondContact O-N 3.4Å; M104-L114 HydrophobicContact CG-CB 4.15Å; M104-L114 HydrophobicContact CG-CD2 3.6Å; M104-L114 HydrophobicContact CG-CG 3.65Å; M104-L114 HydrophobicContact SD-CG 4.09Å; M104-K115 HydrophobicContact CB-CG 4.29Å; M104-K115 HydrophobicContact CG-CG 4.14Å; M104-K115 WeakPolarHBondContact O-CE 3.32Å; M104-K115 PolarHBondContact O-NZ 3.47Å; M104-K115 HydrophobicContact SD-CB 4.49Å; M104-K115 HydrophobicContact SD-CG 3.83Å
105K86.5Confident86.9Confident144 Ų14487.8 Ų87.863%0.62646%0.46SS*.Hα-helixtrans-79.5-21.3174.6-63.6176-166.61670112.5E102 K103E102-K105 PolarHBondContact O-N 2.87Å; E102-K105 IonicContact OE1-NZ 2.65Å; E102-K105 PolarHBondContact OE1-NZ 3.33Å; E102-K105 WeakPolarHBondContact OE2-CD 3.35Å; E102-K105 IonicContact OE2-NZ 2.88Å; E102-K105 PolarHBondContact OE2-NZ 2.88Å; K103-K105 PolarHBondContact O-N 3.48Å
106Q83.4Confident86.5Confident95 Ų9585.4 Ų85.444%0.44446%0.458SS..SBendtrans-74.7143.5177.3-60.5171.617.100109.1K103 D108 A111K103-Q106 WeakPolarHBondContact O-CB 3.28Å; K103-Q106 PolarHBondContact O-N 3.23Å; K103-Q106 VanDerWaalsContact O-N 3.13Å; Q106-D108 PolarHBondContact O-N 3.44Å; Q106-A111 WeakPolarHBondContact O-CB 3.35Å
107T71.3Confident86.4Confident153 Ų15383.1 Ų83.194%0.93945%0.45SS*.  trans-84.451.6-179.4-34.30000111.1
108D77.2Confident86.3Confident68 Ų6878.8 Ų78.836%0.36444%0.437SS..  trans-86.8139.3178.6-167-23.4000109.3Q106 D110 A111Q106-D108 PolarHBondContact O-N 3.44Å; D108-D110 PolarHBondContact O-N 3.47Å; D108-D110 VanDerWaalsContact O-N 3.15Å; D108-D110 PolarHBondContact OD1-N 3.2Å; D108-A111 HydrophobicContact CB-CB 4.33Å; D108-A111 WeakPolarHBondContact O-CB 3.28Å; D108-A111 PolarHBondContact O-N 2.94Å
109P75.3Confident86.3Confident109 Ų10976.8 Ų76.871%0.70843%0.434SS*.THydrogen-bonded Turntrans-45.4-37.8167.913.7-29.8000113.7A111P109-A111 VanDerWaalsContact C-N 3.25Å; P109-A111 PolarHBondContact O-N 3.36Å
110D82.3Confident86.5Confident113 Ų11381.6 Ų81.660%0.60444%0.44SS*.Hα-helixtrans-71.4-16.7179.7-69.5-6.3000113.5D108 T112 D113 L114D108-D110 PolarHBondContact O-N 3.47Å; D108-D110 VanDerWaalsContact O-N 3.15Å; D108-D110 PolarHBondContact OD1-N 3.2Å; D110-T112 VanDerWaalsContact C-N 3.26Å; D110-T112 PolarHBondContact O-N 2.92Å; D110-D113 PolarHBondContact O-N 3.18Å; D110-L114 WeakPolarHBondContact O-CB 3.39Å; D110-L114 PolarHBondContact O-N 3.08Å; D110-L114 VanDerWaalsContact O-N 3.14Å
111A84.6Confident86.7Confident6 Ų681.7 Ų81.75%0.0544%0.444CS..Hα-helixtrans-67.9-25.6-176.800000112.9Q106 D108 P109 K115Q106-A111 WeakPolarHBondContact O-CB 3.35Å; D108-A111 HydrophobicContact CB-CB 4.33Å; D108-A111 WeakPolarHBondContact O-CB 3.28Å; D108-A111 PolarHBondContact O-N 2.94Å; P109-A111 VanDerWaalsContact C-N 3.25Å; P109-A111 PolarHBondContact O-N 3.36Å; A111-K115 VanDerWaalsContact O-CG 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.44Å; A111-K115 PolarHBondContact O-N 3.04Å; A111-K115 VanDerWaalsContact O-N 3.14Å
112T85.6Confident86.9Confident99 Ų9986.9 Ų86.961%0.60746%0.464SS*.Hα-helixtrans-72.1-47.4179.1-55.50000111.1D110 L114 K115 A116D110-T112 VanDerWaalsContact C-N 3.26Å; D110-T112 PolarHBondContact O-N 2.92Å; T112-L114 VanDerWaalsContact C-N 3.33Å; T112-L114 PolarHBondContact O-N 3.01Å; T112-K115 PolarHBondContact O-N 3.32Å; T112-A116 PolarHBondContact O-N 2.91Å; T112-A116 VanDerWaalsContact O-N 3.12Å
113D87.8Confident87.3Confident114 Ų11485 Ų8561%0.6146%0.464SS*.Hα-helixtrans-65.5-39177.8-71.3-20.9000111.2D110 K115 A116 V117D110-D113 PolarHBondContact O-N 3.18Å; D113-K115 VanDerWaalsContact C-N 3.34Å; D113-K115 PolarHBondContact O-N 2.88Å; D113-A116 PolarHBondContact O-N 3.43Å; D113-V117 WeakPolarHBondContact O-CG2 3.48Å; D113-V117 PolarHBondContact O-N 2.91Å
114L89.6Confident87.8Confident56 Ų5684.4 Ų84.429%0.29347%0.465SS..Hα-helixtrans-62-39.7176-170.958.2000112.3I100 K103 M104 D110 T112 V117 S118I100-L114 HydrophobicContact CG2-CD1 3.97Å; I100-L114 HydrophobicContact CG2-CD2 4.08Å; I100-L114 HydrophobicContact CG2-CG 4.07Å; K103-L114 HydrophobicContact CB-CD2 4.23Å; M104-L114 HydrophobicContact CG-CB 4.15Å; M104-L114 HydrophobicContact CG-CD2 3.6Å; M104-L114 HydrophobicContact CG-CG 3.65Å; M104-L114 HydrophobicContact SD-CG 4.09Å; D110-L114 WeakPolarHBondContact O-CB 3.39Å; D110-L114 PolarHBondContact O-N 3.08Å; D110-L114 VanDerWaalsContact O-N 3.14Å; T112-L114 VanDerWaalsContact C-N 3.33Å; T112-L114 PolarHBondContact O-N 3.01Å; L114-V117 PolarHBondContact O-N 3.37Å; L114-S118 WeakPolarHBondContact O-CB 3.4Å; L114-S118 PolarHBondContact O-N 2.72Å
115K89.3Confident88.3Confident114 Ų11486.9 Ų86.950%0.49648%0.484SS..Hα-helixtrans-63.1-43.2173-77.5169.8-175.4168.90111.9M104 A111 T112 D113 S118 A119M104-K115 HydrophobicContact CB-CG 4.29Å; M104-K115 HydrophobicContact CG-CG 4.14Å; M104-K115 WeakPolarHBondContact O-CE 3.32Å; M104-K115 PolarHBondContact O-NZ 3.47Å; M104-K115 HydrophobicContact SD-CB 4.49Å; M104-K115 HydrophobicContact SD-CG 3.83Å; A111-K115 VanDerWaalsContact O-CG 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.44Å; A111-K115 PolarHBondContact O-N 3.04Å; A111-K115 VanDerWaalsContact O-N 3.14Å; T112-K115 PolarHBondContact O-N 3.32Å; D113-K115 VanDerWaalsContact C-N 3.34Å; D113-K115 PolarHBondContact O-N 2.88Å; K115-S118 PolarHBondContact O-N 3.34Å; K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.39Å
116A90.8Very high88.8Confident53 Ų5383.7 Ų83.744%0.43848%0.48SS..Hα-helixtrans-64.9-39.5177.800000112.3T112 D113 R120T112-A116 PolarHBondContact O-N 2.91Å; T112-A116 VanDerWaalsContact O-N 3.12Å; D113-A116 PolarHBondContact O-N 3.43Å; A116-R120 WeakPolarHBondContact O-CG 3.47Å; A116-R120 PolarHBondContact O-N 3.04Å; A116-R120 PolarHBondContact O-NE 2.88Å
117V92.3Very high89.6Confident61 Ų6184.5 Ų84.537%0.3748%0.484SS..Hα-helixtrans-64-48172.6173.30000110.7D113 L114 A119 R120 C121D113-V117 WeakPolarHBondContact O-CG2 3.48Å; D113-V117 PolarHBondContact O-N 2.91Å; L114-V117 PolarHBondContact O-N 3.37Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 3.3Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-R120 VanDerWaalsContact O-N 3.17Å; V117-C121 PolarHBondContact O-N 3.43Å; V117-C121 PolarHBondContact O-SG 2.9Å; V117-C121 VanDerWaalsContact O-SG 3.35Å
118S91.6Very high90.8Very high20 Ų2081.4 Ų81.414%0.1446%0.461CS..Hα-helixtrans-58.9-43.7179.5-176.60000112.3L114 K115 R120 C121 M122L114-S118 WeakPolarHBondContact O-CB 3.4Å; L114-S118 PolarHBondContact O-N 2.72Å; K115-S118 PolarHBondContact O-N 3.34Å; S118-R120 PolarHBondContact O-N 2.99Å; S118-C121 WeakPolarHBondContact O-CB 3.28Å; S118-C121 PolarHBondContact O-N 3.21Å; S118-M122 WeakPolarHBondContact O-CG 3.39Å; S118-M122 PolarHBondContact O-N 2.74Å
119A92.8Very high91.8Very high61 Ų6184.8 Ų84.850%0.50447%0.472SS..Hα-helixtrans-60.1-43.8175.900000112.1K115 V117 M122 A123K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.39Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 3.3Å; A119-M122 PolarHBondContact O-N 2.96Å; A119-A123 PolarHBondContact O-N 3.47Å
120R95.9Very high92.9Very high159 Ų15985 Ų8560%0.646%0.464SS*.Hα-helixtrans-63.4-43.2174.9-73.4-175.6-69164.3-4.4112A116 V117 S118 M122 A123 L124A116-R120 WeakPolarHBondContact O-CG 3.47Å; A116-R120 PolarHBondContact O-N 3.04Å; A116-R120 PolarHBondContact O-NE 2.88Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-R120 VanDerWaalsContact O-N 3.17Å; S118-R120 PolarHBondContact O-N 2.99Å; R120-M122 VanDerWaalsContact C-N 3.34Å; R120-M122 PolarHBondContact O-N 3.18Å; R120-A123 PolarHBondContact O-N 3.42Å; R120-L124 WeakPolarHBondContact O-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.33Å
121C94.3Very high93.7Very high42 Ų4284.5 Ų84.528%0.28446%0.461SS..Hα-helixtrans-59.6-44.1175.4-69.10000111.7W97 V117 S118 L124 C125W97-C121 HydrophobicContact CH2-CB 4.19Å; W97-C121 HydrophobicContact CZ2-CB 4.17Å; V117-C121 PolarHBondContact O-N 3.43Å; V117-C121 PolarHBondContact O-SG 2.9Å; V117-C121 VanDerWaalsContact O-SG 3.35Å; S118-C121 WeakPolarHBondContact O-CB 3.28Å; S118-C121 PolarHBondContact O-N 3.21Å; C121-L124 PolarHBondContact O-N 3.47Å; C121-C125 WeakPolarHBondContact O-CB 3.46Å; C121-C125 PolarHBondContact O-N 3.33Å; C121-C125 PolarHBondContact O-SG 3.14Å
122M93.5Very high94.3Very high129 Ų12988.8 Ų88.864%0.63548%0.48SS*.Hα-helixtrans-63.3-41.7176.9-71.4-121.2-67.800112.6S118 A119 R120 C125 S126S118-M122 WeakPolarHBondContact O-CG 3.39Å; S118-M122 PolarHBondContact O-N 2.74Å; A119-M122 PolarHBondContact O-N 2.96Å; R120-M122 VanDerWaalsContact C-N 3.34Å; R120-M122 PolarHBondContact O-N 3.18Å; M122-C125 PolarHBondContact O-N 3Å; M122-S126 WeakPolarHBondContact O-CB 3.35Å; M122-S126 PolarHBondContact O-N 3.32Å; M122-S126 PolarHBondContact O-OG 2.76Å
123A97.4Very high94.9Very high47 Ų4788.9 Ų88.939%0.38848%0.475SS..Hα-helixtrans-61.5-46175.400000111.3A119 R120 S126 Q127A119-A123 PolarHBondContact O-N 3.47Å; R120-A123 PolarHBondContact O-N 3.42Å; A123-S126 WeakPolarHBondContact O-CB 3.43Å; A123-S126 PolarHBondContact O-N 3.04Å; A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 3.33Å
124L97.9Very high95.4Very high99 Ų9987.5 Ų87.552%0.51846%0.464SS..Hα-helixtrans-62.3-45.7175.8-74.4168.6000112.1R120 C121 S126 Q127 I128R120-L124 WeakPolarHBondContact O-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.33Å; C121-L124 PolarHBondContact O-N 3.47Å; L124-S126 PolarHBondContact O-N 2.69Å; L124-Q127 PolarHBondContact O-N 2.99Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.23Å
125C95.4Very high95.9Very high82 Ų8288.8 Ų88.855%0.55448%0.475SS*.Hα-helixtrans-59.7-36.8176.2-72.30000112.1C121 M122 K129C121-C125 WeakPolarHBondContact O-CB 3.46Å; C121-C125 PolarHBondContact O-N 3.33Å; C121-C125 PolarHBondContact O-SG 3.14Å; M122-C125 PolarHBondContact O-N 3Å; C125-K129 WeakPolarHBondContact O-CB 3.38Å; C125-K129 PolarHBondContact O-N 3.44Å
126S97.8Very high96.3Very high77 Ų7790.8 Ų90.854%0.53848%0.479SS..Hα-helixtrans-66.5-44.6176.4-580000111.6M122 A123 L124 K129 Q130M122-S126 WeakPolarHBondContact O-CB 3.35Å; M122-S126 PolarHBondContact O-N 3.32Å; M122-S126 PolarHBondContact O-OG 2.76Å; A123-S126 WeakPolarHBondContact O-CB 3.43Å; A123-S126 PolarHBondContact O-N 3.04Å; L124-S126 PolarHBondContact O-N 2.69Å; S126-K129 PolarHBondContact O-N 3.43Å; S126-Q130 PolarHBondContact O-N 3.48Å
127Q98.4Very high96.7Very high112 Ų11292 Ų9252%0.52348%0.478SS..Hα-helixtrans-63.3-43.8175.4-69.117433.300112A123 L124 K129 Q130 L131A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 3.33Å; L124-Q127 PolarHBondContact O-N 2.99Å; Q127-K129 VanDerWaalsContact C-N 3.32Å; Q127-K129 PolarHBondContact O-N 2.91Å; Q127-Q130 WeakPolarHBondContact O-CB 3.4Å; Q127-Q130 PolarHBondContact O-N 3.05Å; Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 2.93Å
128I97.9Very high97Very high89 Ų8993.9 Ų93.946%0.45649%0.486SS..Hα-helixtrans-59.5-45.1175.6-69.6165.5000110.3L124 Q130 L131 Q132L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.23Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.45Å; I128-L131 PolarHBondContact O-N 3.43Å; I128-Q132 HydrophobicContact CG2-CG 4.37Å; I128-Q132 WeakPolarHBondContact O-CB 3.47Å; I128-Q132 VanDerWaalsContact O-CG 3.25Å; I128-Q132 WeakPolarHBondContact O-CG 3.47Å; I128-Q132 PolarHBondContact O-N 3.17Å
129K97.3Very high97.3Very high139 Ų13998.4 Ų98.460%0.60450%0.504SS*.Hα-helixtrans-61.5-40.5177.8-176.5-178.8177.9-175.70111.7C125 S126 Q127 Q132 M133C125-K129 WeakPolarHBondContact O-CB 3.38Å; C125-K129 PolarHBondContact O-N 3.44Å; S126-K129 PolarHBondContact O-N 3.43Å; Q127-K129 VanDerWaalsContact C-N 3.32Å; Q127-K129 PolarHBondContact O-N 2.91Å; K129-Q132 PolarHBondContact O-N 2.91Å; K129-M133 PolarHBondContact O-N 3.01Å
130Q98.4Very high97.6Very high113 Ų113100.6 Ų100.653%0.52851%0.508SS..Hα-helixtrans-63.1-51.5176.2-179.6179-12.400111.2S126 Q127 I128 Q132 M133 E134S126-Q130 PolarHBondContact O-N 3.48Å; Q127-Q130 WeakPolarHBondContact O-CB 3.4Å; Q127-Q130 PolarHBondContact O-N 3.05Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.45Å; Q130-Q132 VanDerWaalsContact C-N 3.27Å; Q130-Q132 PolarHBondContact O-N 3.48Å; Q130-M133 WeakPolarHBondContact O-CA 3.5Å; Q130-M133 WeakPolarHBondContact O-CB 3.33Å; Q130-M133 PolarHBondContact O-N 3.43Å; Q130-E134 VanDerWaalsContact CG-OE1 3.3Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.49Å; Q130-E134 PolarHBondContact NE2-OE1 2.94Å; Q130-E134 PolarHBondContact O-N 3.16Å
131L98.5Very high97.7Very high102 Ų10298.5 Ų98.553%0.53451%0.505SS..Hα-helixtrans-58.9-38.6177.6-72.6170.6000112.4Q127 I128 M133 E134 T135Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 2.93Å; I128-L131 PolarHBondContact O-N 3.43Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.29Å; L131-E134 PolarHBondContact O-N 2.93Å; L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 2.91Å; L131-T135 PolarHBondContact O-OG1 3.38Å
132Q98.3Very high97.9Very high97 Ų97100 Ų10045%0.45351%0.509SS..Hα-helixtrans-64.7-36174.6-75.5176.3-14.400112.5I128 K129 Q130 R136I128-Q132 HydrophobicContact CG2-CG 4.37Å; I128-Q132 WeakPolarHBondContact O-CB 3.47Å; I128-Q132 VanDerWaalsContact O-CG 3.25Å; I128-Q132 WeakPolarHBondContact O-CG 3.47Å; I128-Q132 PolarHBondContact O-N 3.17Å; K129-Q132 PolarHBondContact O-N 2.91Å; Q130-Q132 VanDerWaalsContact C-N 3.27Å; Q130-Q132 PolarHBondContact O-N 3.48Å; Q132-R136 WeakPolarHBondContact O-CG 3.45Å; Q132-R136 PolarHBondContact O-N 3.46Å; Q132-R136 VanDerWaalsContact O-N 3.16Å
133M98.4Very high98.1Very high101 Ų10197.5 Ų97.550%0.49850%0.502SS..Hα-helixtrans-68.8-47.8175.2-174.5-176-6100110.9K129 Q130 L131 T135 R136 N137K129-M133 PolarHBondContact O-N 3.01Å; Q130-M133 WeakPolarHBondContact O-CA 3.5Å; Q130-M133 WeakPolarHBondContact O-CB 3.33Å; Q130-M133 PolarHBondContact O-N 3.43Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.29Å; M133-T135 VanDerWaalsContact C-N 3.29Å; M133-T135 PolarHBondContact O-N 2.88Å; M133-R136 PolarHBondContact O-N 3.36Å; M133-R136 VanDerWaalsContact O-N 3.14Å; M133-N137 VanDerWaalsContact O-CG 3.32Å; M133-N137 PolarHBondContact O-N 3.48Å; M133-N137 PolarHBondContact O-OD1 2.8Å
134E98.6Very high98.2Very high84 Ų8499.3 Ų99.339%0.39350%0.502SS..Hα-helixtrans-57.9-42.9176.1-70.1171.5-166.400111.4Q130 L131 R136 N137 L138Q130-E134 VanDerWaalsContact CG-OE1 3.3Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.49Å; Q130-E134 PolarHBondContact NE2-OE1 2.94Å; Q130-E134 PolarHBondContact O-N 3.16Å; L131-E134 PolarHBondContact O-N 2.93Å; E134-R136 PolarHBondContact O-N 3.15Å; E134-N137 PolarHBondContact O-N 3.48Å; E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.49Å
135T98.5Very high98.2Very high83 Ų8399.9 Ų99.951%0.50950%0.503SS..Hα-helixtrans-60.5-43.6176.1-57.90000111.9L131 M133 L138 Q139L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 2.91Å; L131-T135 PolarHBondContact O-OG1 3.38Å; M133-T135 VanDerWaalsContact C-N 3.29Å; M133-T135 PolarHBondContact O-N 2.88Å; T135-L138 PolarHBondContact O-N 2.93Å; T135-Q139 WeakPolarHBondContact O-CB 3.39Å; T135-Q139 PolarHBondContact O-N 3.36Å
136R98.5Very high98.4Very high156 Ų156101.3 Ų101.359%0.58950%0.502SS*.Hα-helixtrans-64.1-45.4177.3-74177.6-172.4123.71.3111.5Q132 M133 E134 L138 Q139 D140Q132-R136 WeakPolarHBondContact O-CG 3.45Å; Q132-R136 PolarHBondContact O-N 3.46Å; Q132-R136 VanDerWaalsContact O-N 3.16Å; M133-R136 PolarHBondContact O-N 3.36Å; M133-R136 VanDerWaalsContact O-N 3.14Å; E134-R136 PolarHBondContact O-N 3.15Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.37Å; R136-Q139 WeakPolarHBondContact O-CB 3.41Å; R136-Q139 PolarHBondContact O-N 3.26Å; R136-Q139 VanDerWaalsContact O-N 3.12Å; R136-D140 PolarHBondContact O-N 3.34Å
137N98.5Very high98.4Very high80 Ų80103.5 Ų103.543%0.42850%0.501SS..Hα-helixtrans-59.8-45.1178.2-66-5.6000111.3M133 E134 Q139 D140 E141M133-N137 VanDerWaalsContact O-CG 3.32Å; M133-N137 PolarHBondContact O-N 3.48Å; M133-N137 PolarHBondContact O-OD1 2.8Å; E134-N137 PolarHBondContact O-N 3.48Å; N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 2.96Å; N137-D140 PolarHBondContact O-N 2.83Å; N137-E141 WeakPolarHBondContact O-CG 3.25Å; N137-E141 PolarHBondContact O-N 2.98Å
138L98.7Very high98.4Very high99 Ų99103.5 Ų103.552%0.51850%0.501SS..Hα-helixtrans-62.8-38.4175.6-71.9172.2000112.2E134 T135 R136 D140 E141 I142E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.49Å; T135-L138 PolarHBondContact O-N 2.93Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.37Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-E141 PolarHBondContact O-N 3.45Å; L138-I142 WeakPolarHBondContact O-CB 3.48Å; L138-I142 WeakPolarHBondContact O-CD1 3.39Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 2.94Å
139Q98.6Very high98.4Very high115 Ų115107.3 Ų107.354%0.53751%0.51SS..Hα-helixtrans-62.7-41.1175.7-164.382.937.400111.5T135 R136 N137 I142 T143T135-Q139 WeakPolarHBondContact O-CB 3.39Å; T135-Q139 PolarHBondContact O-N 3.36Å; R136-Q139 WeakPolarHBondContact O-CB 3.41Å; R136-Q139 PolarHBondContact O-N 3.26Å; R136-Q139 VanDerWaalsContact O-N 3.12Å; N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 2.96Å; Q139-I142 PolarHBondContact O-N 2.97Å; Q139-T143 WeakPolarHBondContact O-CB 3.42Å; Q139-T143 PolarHBondContact O-N 2.91Å; Q139-T143 PolarHBondContact O-OG1 2.84Å
140D98.4Very high98.5Very high108 Ų108106.3 Ų106.358%0.57851%0.511SS*.Hα-helixtrans-66.7-44.9177.3-67.2-19.9000110.8R136 N137 L138 I142 T143 E144R136-D140 PolarHBondContact O-N 3.34Å; N137-D140 PolarHBondContact O-N 2.83Å; L138-D140 VanDerWaalsContact C-N 3.33Å; D140-I142 PolarHBondContact O-N 3.41Å; D140-T143 WeakPolarHBondContact O-CB 3.36Å; D140-T143 PolarHBondContact O-N 3.46Å; D140-T143 VanDerWaalsContact O-N 3.13Å; D140-E144 PolarHBondContact O-N 3.25Å
141E98.7Very high98.5Very high114 Ų114104.8 Ų104.853%0.53350%0.504SS..Hα-helixtrans-59.6-43.8174.5-74.4176.4-162.300112.2N137 L138 T143 E144 M145N137-E141 WeakPolarHBondContact O-CG 3.25Å; N137-E141 PolarHBondContact O-N 2.98Å; L138-E141 PolarHBondContact O-N 3.45Å; E141-T143 VanDerWaalsContact C-N 3.28Å; E141-T143 PolarHBondContact O-N 3.03Å; E141-E144 PolarHBondContact O-N 2.94Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.45Å; E141-M145 PolarHBondContact O-N 2.89Å
142I98.5Very high98.5Very high74 Ų74105 Ų10538%0.37950%0.504SS..Hα-helixtrans-59.4-42.9174.8-73166000110.6L138 Q139 D140 M145 Q146L138-I142 WeakPolarHBondContact O-CB 3.48Å; L138-I142 WeakPolarHBondContact O-CD1 3.39Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 2.94Å; Q139-I142 PolarHBondContact O-N 2.97Å; D140-I142 PolarHBondContact O-N 3.41Å; I142-M145 HydrophobicContact CG1-CE 4.17Å; I142-M145 PolarHBondContact O-N 3.44Å; I142-Q146 VanDerWaalsContact O-CG 3.26Å; I142-Q146 WeakPolarHBondContact O-CG 3.42Å; I142-Q146 PolarHBondContact O-N 3.18Å
143T98.4Very high98.5Very high77 Ų77106.8 Ų106.847%0.47251%0.511SS..Hα-helixtrans-65.4-42.5-179.3-57.40000111Q139 D140 E141 Q146 K147Q139-T143 WeakPolarHBondContact O-CB 3.42Å; Q139-T143 PolarHBondContact O-N 2.91Å; Q139-T143 PolarHBondContact O-OG1 2.84Å; D140-T143 WeakPolarHBondContact O-CB 3.36Å; D140-T143 PolarHBondContact O-N 3.46Å; D140-T143 VanDerWaalsContact O-N 3.13Å; E141-T143 VanDerWaalsContact C-N 3.28Å; E141-T143 PolarHBondContact O-N 3.03Å; T143-Q146 PolarHBondContact O-N 3.34Å; T143-K147 PolarHBondContact O-N 3.49Å; T143-K147 VanDerWaalsContact O-N 3.08Å
144E98.7Very high98.5Very high84 Ų84107.6 Ų107.639%0.39351%0.508SS..Hα-helixtrans-68-42.6177.6-165.958.8-153.200111.7D140 E141 Q146 K147 E148D140-E144 PolarHBondContact O-N 3.25Å; E141-E144 PolarHBondContact O-N 2.94Å; E144-Q146 VanDerWaalsContact C-N 3.26Å; E144-Q146 PolarHBondContact O-N 3.09Å; E144-K147 WeakPolarHBondContact O-CA 3.3Å; E144-K147 WeakPolarHBondContact O-CB 3.28Å; E144-K147 PolarHBondContact O-N 3.43Å; E144-K147 IonicContact OE1-NZ 3.91Å; E144-K147 PolarHBondContact OE1-NZ 3.31Å; E144-K147 IonicContact OE2-NZ 2.74Å; E144-K147 PolarHBondContact OE2-NZ 3.44Å; E144-K147 VanDerWaalsContact OE2-NZ 3.12Å; E144-E148 PolarHBondContact O-N 3.2Å
145M98.5Very high98.5Very high111 Ų111107.1 Ų107.155%0.54751%0.508SS..Hα-helixtrans-58.6-37.7173.3-77.8-169.4-7000112.6E141 I142 K147 R149E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.45Å; E141-M145 PolarHBondContact O-N 2.89Å; I142-M145 HydrophobicContact CG1-CE 4.17Å; I142-M145 PolarHBondContact O-N 3.44Å; M145-K147 VanDerWaalsContact C-N 3.34Å; M145-R149 VanDerWaalsContact O-CB 3.28Å; M145-R149 WeakPolarHBondContact O-CB 3.46Å; M145-R149 PolarHBondContact O-N 3.42Å
146Q98.4Very high98.4Very high112 Ų112107.2 Ų107.252%0.52351%0.508SS..Hα-helixtrans-65.3-39.4175.6-75.6175.71.800111.7I142 T143 E144 R149 L150I142-Q146 VanDerWaalsContact O-CG 3.26Å; I142-Q146 WeakPolarHBondContact O-CG 3.42Å; I142-Q146 PolarHBondContact O-N 3.18Å; T143-Q146 PolarHBondContact O-N 3.34Å; E144-Q146 VanDerWaalsContact C-N 3.26Å; E144-Q146 PolarHBondContact O-N 3.09Å; Q146-R149 PolarHBondContact O-N 2.88Å; Q146-L150 WeakPolarHBondContact O-CG 3.4Å; Q146-L150 PolarHBondContact O-N 2.89Å
147K98.4Very high98.4Very high123 Ų123106.2 Ų106.254%0.53551%0.51SS..Hα-helixtrans-65.6-46.7175.8175.6168.3152-114.20111.9T143 E144 M145 R149 L150 E151T143-K147 PolarHBondContact O-N 3.49Å; T143-K147 VanDerWaalsContact O-N 3.08Å; E144-K147 WeakPolarHBondContact O-CA 3.3Å; E144-K147 WeakPolarHBondContact O-CB 3.28Å; E144-K147 PolarHBondContact O-N 3.43Å; E144-K147 IonicContact OE1-NZ 3.91Å; E144-K147 PolarHBondContact OE1-NZ 3.31Å; E144-K147 IonicContact OE2-NZ 2.74Å; E144-K147 PolarHBondContact OE2-NZ 3.44Å; E144-K147 VanDerWaalsContact OE2-NZ 3.12Å; M145-K147 VanDerWaalsContact C-N 3.34Å; K147-R149 VanDerWaalsContact C-N 3.34Å; K147-R149 PolarHBondContact O-N 3.45Å; K147-L150 PolarHBondContact O-N 2.85Å; K147-E151 PolarHBondContact O-N 3.3Å
148E98.5Very high98.3Very high112 Ų112107.3 Ų107.352%0.52351%0.512SS..Hα-helixtrans-58.9-44.8174.2-70.3-179.1172.800111.8E144 L150 E151 I152E144-E148 PolarHBondContact O-N 3.2Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.81Å; E148-E151 PolarHBondContact O-N 3.38Å; E148-I152 WeakPolarHBondContact O-CG1 3.22Å; E148-I152 PolarHBondContact O-N 2.88Å
149R98.3Very high98.2Very high170 Ų170108.2 Ų108.264%0.64251%0.512SS*.Hα-helixtrans-58.2-42.1176.2177.4-174-75.7-169.1-3.8111.8M145 Q146 K147 K153M145-R149 VanDerWaalsContact O-CB 3.28Å; M145-R149 WeakPolarHBondContact O-CB 3.46Å; M145-R149 PolarHBondContact O-N 3.42Å; Q146-R149 PolarHBondContact O-N 2.88Å; K147-R149 VanDerWaalsContact C-N 3.34Å; K147-R149 PolarHBondContact O-N 3.45Å; R149-K153 WeakPolarHBondContact O-CG 3.31Å; R149-K153 PolarHBondContact O-N 2.74Å
150L98.5Very high98.1Very high117 Ų117109 Ų10961%0.61352%0.517SS*.Hα-helixtrans-66.4-40.6178.3-74.6172.6000111.6Q146 K147 E148 K153 R154Q146-L150 WeakPolarHBondContact O-CG 3.4Å; Q146-L150 PolarHBondContact O-N 2.89Å; K147-L150 PolarHBondContact O-N 2.85Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.81Å; L150-K153 WeakPolarHBondContact O-CB 3.12Å; L150-K153 PolarHBondContact O-N 3.37Å; L150-R154 PolarHBondContact O-N 3.46Å
151E98.5Very high98Very high82 Ų82109.4 Ų109.438%0.38351%0.514SS..Hα-helixtrans-65.7-43.1177.3-177.555.5-160.900111.9K147 E148 K153 R154 L155K147-E151 PolarHBondContact O-N 3.3Å; E148-E151 PolarHBondContact O-N 3.38Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.88Å; E151-R154 WeakPolarHBondContact O-CB 3.36Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-R154 VanDerWaalsContact O-N 3.14Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NE 2.99Å; E151-R154 PolarHBondContact OE1-NE 3.39Å; E151-R154 IonicContact OE1-NH2 3.96Å; E151-R154 PolarHBondContact OE1-NH2 3.37Å; E151-R154 IonicContact OE2-CZ 3.22Å; E151-R154 IonicContact OE2-NE 3.79Å; E151-R154 PolarHBondContact OE2-NE 3.39Å; E151-R154 IonicContact OE2-NH2 3.69Å; E151-L155 HydrophobicContact CG-CD1 4.19Å; E151-L155 WeakPolarHBondContact O-CG 3.48Å; E151-L155 PolarHBondContact O-N 3.17Å
152I98.4Very high97.8Very high106 Ų106108 Ų10854%0.54451%0.507SS..Hα-helixtrans-60.4-42.2174.4-68.2168.1000110.9E148 R154 L155 T156E148-I152 WeakPolarHBondContact O-CG1 3.22Å; E148-I152 PolarHBondContact O-N 2.88Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 3.08Å; I152-T156 WeakPolarHBondContact O-CB 3.49Å; I152-T156 PolarHBondContact O-N 2.91Å; I152-T156 PolarHBondContact O-OG1 2.93Å
153K98.4Very high97.6Very high135 Ų135108.1 Ų108.159%0.58751%0.512SS*.Hα-helixtrans-60.4-43.1175.1-80.3-177.8175.5-171.90111.8R149 L150 E151 T156 H157R149-K153 WeakPolarHBondContact O-CG 3.31Å; R149-K153 PolarHBondContact O-N 2.74Å; L150-K153 WeakPolarHBondContact O-CB 3.12Å; L150-K153 PolarHBondContact O-N 3.37Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.88Å; K153-T156 PolarHBondContact O-N 3.16Å; K153-H157 PolarHBondContact O-N 3.38Å
154R98.3Very high97.2Very high118 Ų118110.7 Ų110.745%0.44552%0.519SS..Hα-helixtrans-61-51.2177.3-168.6-163.268.669.50.5111L150 E151 I152 T156 H157 E158L150-R154 PolarHBondContact O-N 3.46Å; E151-R154 WeakPolarHBondContact O-CB 3.36Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-R154 VanDerWaalsContact O-N 3.14Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NE 2.99Å; E151-R154 PolarHBondContact OE1-NE 3.39Å; E151-R154 IonicContact OE1-NH2 3.96Å; E151-R154 PolarHBondContact OE1-NH2 3.37Å; E151-R154 IonicContact OE2-CZ 3.22Å; E151-R154 IonicContact OE2-NE 3.79Å; E151-R154 PolarHBondContact OE2-NE 3.39Å; E151-R154 IonicContact OE2-NH2 3.69Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.37Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-T156 PolarHBondContact O-N 3.09Å; R154-H157 PolarHBondContact O-N 2.86Å; R154-E158 IonicContact CZ-OE2 3.38Å; R154-E158 IonicContact NH1-OE2 3.57Å; R154-E158 PolarHBondContact NH1-OE2 3.44Å; R154-E158 IonicContact NH2-OE2 2.72Å; R154-E158 PolarHBondContact O-N 2.96Å
155L98.2Very high96.8Very high74 Ų74111.6 Ų111.639%0.38752%0.523SS..Hα-helixtrans-61.3-40.5178.4-72.6170.2000112.3E151 I152 H157 E158 K159E151-L155 HydrophobicContact CG-CD1 4.19Å; E151-L155 WeakPolarHBondContact O-CG 3.48Å; E151-L155 PolarHBondContact O-N 3.17Å; I152-L155 PolarHBondContact O-N 3.08Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.91Å; L155-E158 PolarHBondContact O-N 3.34Å; L155-K159 WeakPolarHBondContact O-CB 3.1Å; L155-K159 WeakPolarHBondContact O-CG 3.37Å; L155-K159 PolarHBondContact O-N 3.14Å
156T97Very high96.3Very high85 Ų85110.8 Ų110.852%0.52152%0.52SS..Hα-helixtrans-61.7-44.2176.8-590000111I152 K153 R154 K159 M160I152-T156 WeakPolarHBondContact O-CB 3.49Å; I152-T156 PolarHBondContact O-N 2.91Å; I152-T156 PolarHBondContact O-OG1 2.93Å; K153-T156 PolarHBondContact O-N 3.16Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-T156 PolarHBondContact O-N 3.09Å; T156-K159 PolarHBondContact O-N 2.83Å; T156-M160 WeakPolarHBondContact O-CB 3.34Å; T156-M160 PolarHBondContact O-N 3.36Å
157H97.9Very high95.6Very high135 Ų135110.4 Ų110.463%0.62552%0.521SS*.Hα-helixtrans-64.3-42.7177.4-173.966.8000112K153 R154 L155 M160 K161K153-H157 PolarHBondContact O-N 3.38Å; R154-H157 PolarHBondContact O-N 2.86Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.91Å; H157-M160 PolarHBondContact O-N 3.38Å; H157-K161 PolarHBondContact O-N 3.2Å
158E97.6Very high94.7Very high102 Ų102107.6 Ų107.648%0.47752%0.517SS..Hα-helixtrans-60.1-46.4175.8-174.1173.6-173.300111.7R154 L155 M160 K161 E162R154-E158 IonicContact CZ-OE2 3.38Å; R154-E158 IonicContact NH1-OE2 3.57Å; R154-E158 PolarHBondContact NH1-OE2 3.44Å; R154-E158 IonicContact NH2-OE2 2.72Å; R154-E158 PolarHBondContact O-N 2.96Å; L155-E158 PolarHBondContact O-N 3.34Å; E158-M160 PolarHBondContact O-N 3.01Å; E158-K161 WeakPolarHBondContact O-CB 3.42Å; E158-K161 PolarHBondContact O-N 3.36Å; E158-E162 PolarHBondContact O-N 2.96Å
159K96.4Very high93.3Very high119 Ų119107.9 Ų107.952%0.51752%0.522SS..Hα-helixtrans-66.7-35.9177.4-72.8-72.7160.6-160.40113.1L155 T156 K161 E162 T163L155-K159 WeakPolarHBondContact O-CB 3.1Å; L155-K159 WeakPolarHBondContact O-CG 3.37Å; L155-K159 PolarHBondContact O-N 3.14Å; T156-K159 PolarHBondContact O-N 2.83Å; K159-K161 VanDerWaalsContact C-N 3.35Å; K159-E162 WeakPolarHBondContact CD-OE2 3.46Å; K159-E162 IonicContact NZ-OE1 2.83Å; K159-E162 IonicContact NZ-OE2 3.94Å; K159-E162 PolarHBondContact NZ-OE2 3.29Å; K159-E162 PolarHBondContact O-N 3.18Å; K159-T163 WeakPolarHBondContact O-CB 3.43Å; K159-T163 PolarHBondContact O-N 2.82Å; K159-T163 PolarHBondContact O-OG1 3.16Å
160M96.6Very high91.6Very high130 Ų130108.2 Ų108.264%0.6453%0.528SS*.Hα-helixtrans-64.1-42.3174.2-173.8175.7-179.600111T156 H157 E158 T163 Q164T156-M160 WeakPolarHBondContact O-CB 3.34Å; T156-M160 PolarHBondContact O-N 3.36Å; H157-M160 PolarHBondContact O-N 3.38Å; E158-M160 PolarHBondContact O-N 3.01Å; M160-T163 PolarHBondContact O-N 3.24Å; M160-Q164 PolarHBondContact O-N 2.94Å
161K96.1Very high89.8Confident117 Ų117110.3 Ų110.351%0.50954%0.535SS..Hα-helixtrans-62.6-48.1175.1-175-177.7174.1-169.30111.8H157 E158 K159 T163 Q164 E165H157-K161 PolarHBondContact O-N 3.2Å; E158-K161 WeakPolarHBondContact O-CB 3.42Å; E158-K161 PolarHBondContact O-N 3.36Å; K159-K161 VanDerWaalsContact C-N 3.35Å; K161-T163 VanDerWaalsContact C-N 3.29Å; K161-T163 PolarHBondContact O-N 3.49Å; K161-Q164 PolarHBondContact O-N 2.96Å; K161-Q164 VanDerWaalsContact O-N 3.15Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.69Å; K161-E165 WeakPolarHBondContact O-CG 3.43Å; K161-E165 PolarHBondContact O-N 3.46Å
162E94.8Very high88Confident84 Ų84112.6 Ų112.639%0.39355%0.546SS..Hα-helixtrans-57.1-43.4175.6-176.1-176178.700111.4E158 K159 Q164 E165 L166E158-E162 PolarHBondContact O-N 2.96Å; K159-E162 WeakPolarHBondContact CD-OE2 3.46Å; K159-E162 IonicContact NZ-OE1 2.83Å; K159-E162 IonicContact NZ-OE2 3.94Å; K159-E162 PolarHBondContact NZ-OE2 3.29Å; K159-E162 PolarHBondContact O-N 3.18Å; E162-Q164 PolarHBondContact O-N 3.46Å; E162-E165 PolarHBondContact O-N 2.75Å; E162-L166 HydrophobicContact CG-CD1 4.34Å; E162-L166 WeakPolarHBondContact O-CB 3.37Å; E162-L166 WeakPolarHBondContact O-CG 3.4Å; E162-L166 PolarHBondContact O-N 3.45Å
163T93.2Very high86Confident77 Ų77111.3 Ų111.347%0.47254%0.544SS..Hα-helixtrans-62.7-42.6177-57.10000111.6K159 M160 K161 L166 L167K159-T163 WeakPolarHBondContact O-CB 3.43Å; K159-T163 PolarHBondContact O-N 2.82Å; K159-T163 PolarHBondContact O-OG1 3.16Å; M160-T163 PolarHBondContact O-N 3.24Å; K161-T163 VanDerWaalsContact C-N 3.29Å; K161-T163 PolarHBondContact O-N 3.49Å; T163-L166 PolarHBondContact O-N 3.12Å; T163-L167 HydrophobicContact CG2-CD1 4.21Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CG 3.49Å; T163-L167 PolarHBondContact O-N 2.84Å
164Q91.4Very high84.2Confident132 Ų132109.4 Ų109.462%0.61754%0.54SS*.Hα-helixtrans-64.8-42.1177.3-175.6174.98.400112M160 K161 E162 L167 S168M160-Q164 PolarHBondContact O-N 2.94Å; K161-Q164 PolarHBondContact O-N 2.96Å; K161-Q164 VanDerWaalsContact O-N 3.15Å; E162-Q164 PolarHBondContact O-N 3.46Å; Q164-L167 PolarHBondContact O-N 2.98Å; Q164-S168 WeakPolarHBondContact O-CB 3.21Å; Q164-S168 PolarHBondContact O-N 3.09Å
165E90.4Very high82.6Confident102 Ų102108 Ų10848%0.47755%0.548SS..Hα-helixtrans-62.7-43175-73175.7-176.100111.5K161 E162 S168 N169K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.69Å; K161-E165 WeakPolarHBondContact O-CG 3.43Å; K161-E165 PolarHBondContact O-N 3.46Å; E162-E165 PolarHBondContact O-N 2.75Å; E165-S168 PolarHBondContact O-N 3.44Å; E165-N169 WeakPolarHBondContact O-CB 3.37Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.27Å
166L86.9Confident81.3Confident95 Ų95112.1 Ų112.150%0.49757%0.566SS.*Hα-helixtrans-64.5-39.4175.7-73.4174.5000112.7E162 T163 K170E162-L166 HydrophobicContact CG-CD1 4.34Å; E162-L166 WeakPolarHBondContact O-CB 3.37Å; E162-L166 WeakPolarHBondContact O-CG 3.4Å; E162-L166 PolarHBondContact O-N 3.45Å; T163-L166 PolarHBondContact O-N 3.12Å; L166-K170 WeakPolarHBondContact O-CG 3.46Å; L166-K170 PolarHBondContact O-N 3.45Å; L166-K170 VanDerWaalsContact O-N 3.08Å
167L82.9Confident80.2Confident104 Ų104114.1 Ų114.155%0.54557%0.567SS.*Hα-helixtrans-63.8-48174.3-74.9170.1000110.8T163 Q164 N169 K170 E171T163-L167 HydrophobicContact CG2-CD1 4.21Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CG 3.49Å; T163-L167 PolarHBondContact O-N 2.84Å; Q164-L167 PolarHBondContact O-N 2.98Å; L167-N169 VanDerWaalsContact C-N 3.32Å; L167-N169 PolarHBondContact O-N 3.47Å; L167-K170 PolarHBondContact O-N 3.2Å; L167-K170 VanDerWaalsContact O-N 3.17Å; L167-E171 PolarHBondContact O-N 2.75Å; L167-E171 VanDerWaalsContact O-N 3.16Å
168S80.7Confident79Confident64 Ų64115.9 Ų115.945%0.44857%0.57SS.*Hα-helixtrans-62.7-36.8178-176.20000112.7Q164 E165 E171Q164-S168 WeakPolarHBondContact O-CB 3.21Å; Q164-S168 PolarHBondContact O-N 3.09Å; E165-S168 PolarHBondContact O-N 3.44Å; S168-E171 PolarHBondContact O-N 3.39Å
169N69.4Low78.2Confident118 Ų118117 Ų11763%0.63157%0.573SS**Hα-helixtrans-69.6-32.7175.9-78.1-17.1000112.8E165 L167 E171E165-N169 WeakPolarHBondContact O-CB 3.37Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.27Å; L167-N169 VanDerWaalsContact C-N 3.32Å; L167-N169 PolarHBondContact O-N 3.47Å; N169-E171 PolarHBondContact O-N 2.96Å
170K62Low77.6Confident176 Ų176113.9 Ų113.977%0.76557%0.569SS**Hα-helixtrans-69.8-21.2171.8-75.7177.6179.8-179.50112.6L166 L167 H172L166-K170 WeakPolarHBondContact O-CG 3.46Å; L166-K170 PolarHBondContact O-N 3.45Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L167-K170 PolarHBondContact O-N 3.2Å; L167-K170 VanDerWaalsContact O-N 3.17Å; K170-H172 VanDerWaalsContact C-N 3.3Å; K170-H172 PolarHBondContact O-N 3.47Å
171E59.8Low77Confident161 Ų161112.8 Ų112.875%0.75257%0.57SS**THydrogen-bonded Turntrans-87.88.9-176.6-147.3157.8-162.200113.3L167 S168 N169L167-E171 PolarHBondContact O-N 2.75Å; L167-E171 VanDerWaalsContact O-N 3.16Å; S168-E171 PolarHBondContact O-N 3.39Å; N169-E171 PolarHBondContact O-N 2.96Å
172H62Low76.4Confident131 Ų131111.6 Ų111.661%0.60657%0.568SS**SBendtrans-112169.4-176.8-119.2-41.2000114.3K170 D174K170-H172 VanDerWaalsContact C-N 3.3Å; K170-H172 PolarHBondContact O-N 3.47Å; H172-D174 VanDerWaalsContact C-N 3.27Å; H172-D174 PolarHBondContact O-N 3.35Å
173P56.7Low76.2Confident79 Ų79112.1 Ų112.151%0.51357%0.571SS.*SBend-74.710.2-101.240.7-34.4000116.5
174D59.1Low76.1Confident95 Ų95115 Ų11551%0.50858%0.577SS.*Hα-helixtrans-91.1-11.1-174.8-75.8-20.3000113.5H172 E176 K177 Y178H172-D174 VanDerWaalsContact C-N 3.27Å; H172-D174 PolarHBondContact O-N 3.35Å; D174-E176 PolarHBondContact O-N 3.41Å; D174-K177 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact OD1-CD 3.45Å; D174-K177 IonicContact OD1-NZ 3.93Å; D174-K177 PolarHBondContact OD1-NZ 2.96Å; D174-Y178 VanDerWaalsContact O-CB 3.24Å; D174-Y178 WeakPolarHBondContact O-CB 3.48Å; D174-Y178 PolarHBondContact O-N 3.41Å
175S65.8Low76Confident88 Ų88110.5 Ų110.562%0.61557%0.566SS**Hα-helixtrans-59.7-45.2171.9-178.60000111.7Y178 K179S175-Y178 PolarHBondContact O-N 2.94Å; S175-K179 VanDerWaalsContact O-CB 3.31Å; S175-K179 WeakPolarHBondContact O-CB 3.38Å; S175-K179 PolarHBondContact O-N 3.46Å
176E70Confident75.9Confident161 Ų161111.1 Ų111.175%0.75257%0.569SS**Hα-helixtrans-68.8-39.1178-67.4-169.8158.400112.4D174 K179 A180D174-E176 PolarHBondContact O-N 3.41Å; E176-K179 PolarHBondContact O-N 2.85Å; E176-A180 WeakPolarHBondContact O-CB 3.39Å; E176-A180 PolarHBondContact O-N 3.36Å
177K74Confident76.3Confident127 Ų127112.7 Ų112.755%0.55257%0.574SS**Hα-helixtrans-65.8-42.7176-64.5-174.2-160.2145.20111.7D174 K179 A180 V181D174-K177 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact OD1-CD 3.45Å; D174-K177 IonicContact OD1-NZ 3.93Å; D174-K177 PolarHBondContact OD1-NZ 2.96Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-A180 PolarHBondContact O-N 2.97Å; K177-V181 WeakPolarHBondContact O-CG2 3.24Å; K177-V181 PolarHBondContact O-N 2.83Å
178Y73.9Confident76.7Confident172 Ų172111.3 Ų111.368%0.67557%0.567SS**Hα-helixtrans-64.2-41.4177.6-169.1-95.8000111D174 S175 V181 L182D174-Y178 VanDerWaalsContact O-CB 3.24Å; D174-Y178 WeakPolarHBondContact O-CB 3.48Å; D174-Y178 PolarHBondContact O-N 3.41Å; S175-Y178 PolarHBondContact O-N 2.94Å; Y178-V181 PolarHBondContact O-N 3.4Å; Y178-L182 WeakPolarHBondContact O-CB 3.33Å; Y178-L182 PolarHBondContact O-N 2.98Å
179K79.9Confident77.2Confident125 Ų125113.6 Ų113.654%0.54357%0.574SS.*Hα-helixtrans-60.1-47.1174-171-177.9177.4-169.50112S175 E176 K177 V181 L182 E183S175-K179 VanDerWaalsContact O-CB 3.31Å; S175-K179 WeakPolarHBondContact O-CB 3.38Å; S175-K179 PolarHBondContact O-N 3.46Å; E176-K179 PolarHBondContact O-N 2.85Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K179-V181 PolarHBondContact O-N 3.38Å; K179-L182 PolarHBondContact O-N 3.48Å; K179-E183 WeakPolarHBondContact CE-OE1 3.28Å; K179-E183 WeakPolarHBondContact O-CG 3.47Å; K179-E183 PolarHBondContact O-N 3.13Å
180A83.1Confident78.2Confident54 Ų54112 Ų11245%0.44656%0.562SS.*Hα-helixtrans-64.3-38.417900000113E176 K177 K184E176-A180 WeakPolarHBondContact O-CB 3.39Å; E176-A180 PolarHBondContact O-N 3.36Å; K177-A180 PolarHBondContact O-N 2.97Å; A180-K184 WeakPolarHBondContact O-CB 3.48Å; A180-K184 PolarHBondContact O-N 3Å; A180-K184 VanDerWaalsContact O-N 3.1Å
181V85.9Confident79.7Confident107 Ų107107.6 Ų107.665%0.64855%0.546SS*.Hα-helixtrans-66.2-39.7174.9171.40000111K177 Y178 K179 G185K177-V181 WeakPolarHBondContact O-CG2 3.24Å; K177-V181 PolarHBondContact O-N 2.83Å; Y178-V181 PolarHBondContact O-N 3.4Å; K179-V181 PolarHBondContact O-N 3.38Å; V181-G185 PolarHBondContact O-N 3.5Å
182L83.1Confident81.1Confident91 Ų91107.7 Ų107.748%0.47654%0.541SS..Hα-helixtrans-66.2-47.1178-173.467.7000111.9Y178 K179 K184 G185 Q186Y178-L182 WeakPolarHBondContact O-CB 3.33Å; Y178-L182 PolarHBondContact O-N 2.98Å; K179-L182 PolarHBondContact O-N 3.48Å; L182-K184 PolarHBondContact O-N 2.93Å; L182-G185 PolarHBondContact O-N 3.14Å; L182-G185 VanDerWaalsContact O-N 3.14Å; L182-Q186 WeakPolarHBondContact O-CG 3.31Å; L182-Q186 PolarHBondContact O-N 3.22Å
183E89.3Confident82.3Confident95 Ų95104.7 Ų104.744%0.44453%0.526SS..Hα-helixtrans-58.8-47177-75.7175.117800110.9K179 G185 Q186 E187K179-E183 WeakPolarHBondContact CE-OE1 3.28Å; K179-E183 WeakPolarHBondContact O-CG 3.47Å; K179-E183 PolarHBondContact O-N 3.13Å; E183-G185 VanDerWaalsContact C-N 3.3Å; E183-G185 PolarHBondContact O-N 3.38Å; E183-Q186 PolarHBondContact O-N 3.28Å; E183-E187 WeakPolarHBondContact O-CG 3.5Å; E183-E187 PolarHBondContact O-N 3.09Å
184K92.2Very high83.8Confident137 Ų137107.1 Ų107.160%0.59653%0.528SS*.Hα-helixtrans-62.5-36175.5-173175.9-178.3177.60112.8A180 L182 N188A180-K184 WeakPolarHBondContact O-CB 3.48Å; A180-K184 PolarHBondContact O-N 3Å; A180-K184 VanDerWaalsContact O-N 3.1Å; L182-K184 PolarHBondContact O-N 2.93Å; K184-N188 WeakPolarHBondContact O-CB 3.2Å; K184-N188 PolarHBondContact O-N 2.71Å; K184-N188 VanDerWaalsContact O-N 3.12Å
185G88.7Confident85.3Confident38 Ų38107.5 Ų107.539%0.39253%0.528SS..Hα-helixtrans-63.7-43.4174.200000112.3V181 L182 E183 N188 L189V181-G185 PolarHBondContact O-N 3.5Å; L182-G185 PolarHBondContact O-N 3.14Å; L182-G185 VanDerWaalsContact O-N 3.14Å; E183-G185 VanDerWaalsContact C-N 3.3Å; E183-G185 PolarHBondContact O-N 3.38Å; G185-N188 PolarHBondContact O-N 3.17Å; G185-L189 WeakPolarHBondContact O-CB 3.33Å; G185-L189 PolarHBondContact O-N 3.49Å
186Q89.4Confident86.2Confident115 Ų115105.2 Ų105.254%0.53752%0.515SS..Hα-helixtrans-66.2-43.6177-73.8178.8-2600112.2L182 E183 N188 L189 E190L182-Q186 WeakPolarHBondContact O-CG 3.31Å; L182-Q186 PolarHBondContact O-N 3.22Å; E183-Q186 PolarHBondContact O-N 3.28Å; Q186-N188 VanDerWaalsContact C-N 3.33Å; Q186-N188 PolarHBondContact O-N 3.49Å; Q186-L189 PolarHBondContact O-N 3.46Å; Q186-E190 PolarHBondContact O-N 2.98Å
187E93.8Very high86.8Confident129 Ų129100.6 Ų100.660%0.60350%0.495SS*.Hα-helixtrans-58.1-46.2175.1-74.1-179.917300111.6E183 L189 E190 I191E183-E187 WeakPolarHBondContact O-CG 3.5Å; E183-E187 PolarHBondContact O-N 3.09Å; E187-L189 PolarHBondContact O-N 2.91Å; E187-E190 PolarHBondContact O-N 2.95Å; E187-I191 WeakPolarHBondContact O-CG1 3.16Å; E187-I191 PolarHBondContact O-N 3.33Å
188N92.4Very high87.3Confident74 Ų74100.1 Ų100.140%0.39650%0.496SS..Hα-helixtrans-62.5-42.4176.9-76.8-13.7000111.9K184 G185 Q186 E190 I191 Y192K184-N188 WeakPolarHBondContact O-CB 3.2Å; K184-N188 PolarHBondContact O-N 2.71Å; K184-N188 VanDerWaalsContact O-N 3.12Å; G185-N188 PolarHBondContact O-N 3.17Å; Q186-N188 VanDerWaalsContact C-N 3.33Å; Q186-N188 PolarHBondContact O-N 3.49Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.35Å; N188-I191 PolarHBondContact O-N 3.22Å; N188-Y192 WeakPolarHBondContact O-CD2 3.34Å; N188-Y192 PolarHBondContact O-N 2.86Å
189L90.6Very high87.9Confident113 Ų11394.9 Ų94.959%0.59249%0.489SS*.Hα-helixtrans-59.9-44177.7-178.363.6000111.3G185 Q186 E187 I191 Y192 K193G185-L189 WeakPolarHBondContact O-CB 3.33Å; G185-L189 PolarHBondContact O-N 3.49Å; Q186-L189 PolarHBondContact O-N 3.46Å; E187-L189 PolarHBondContact O-N 2.91Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.43Å; L189-Y192 PolarHBondContact O-N 3.46Å; L189-K193 VanDerWaalsContact O-CB 3.3Å; L189-K193 WeakPolarHBondContact O-CB 3.35Å; L189-K193 PolarHBondContact O-N 3.23Å
190E90.6Very high88Confident84 Ų8491.2 Ų91.239%0.39347%0.473SS..Hα-helixtrans-65.5-35177.3-76.5-59.1130.500112.6Q186 E187 N188 K193 K194Q186-E190 PolarHBondContact O-N 2.98Å; E187-E190 PolarHBondContact O-N 2.95Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.35Å; E190-K193 IonicContact OE1-NZ 2.76Å; E190-K194 WeakPolarHBondContact O-CG 3.48Å; E190-K194 PolarHBondContact O-N 2.84Å
191I93.1Very high88Confident84 Ų8493.1 Ų93.143%0.43148%0.476SS..Hα-helixtrans-63.4-49.6172.2-68.1166.5000110.5E187 N188 L189 K193 K194 M195E187-I191 WeakPolarHBondContact O-CG1 3.16Å; E187-I191 PolarHBondContact O-N 3.33Å; N188-I191 PolarHBondContact O-N 3.22Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.43Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 2.96Å; I191-K194 PolarHBondContact O-N 3.34Å; I191-M195 HydrophobicContact CG2-CE 3.76Å; I191-M195 HydrophobicContact CG2-SD 4.49Å; I191-M195 WeakPolarHBondContact O-CG 3.24Å; I191-M195 PolarHBondContact O-N 3.46Å
192Y90.4Very high88Confident162 Ų16292.4 Ų92.464%0.63547%0.471SS*.Hα-helixtrans-64.8-37.1179.8-76.7-63.2000112.3N188 L189 M195 A196N188-Y192 WeakPolarHBondContact O-CD2 3.34Å; N188-Y192 PolarHBondContact O-N 2.86Å; L189-Y192 PolarHBondContact O-N 3.46Å; Y192-M195 PolarHBondContact O-N 3.1Å; Y192-A196 WeakPolarHBondContact O-CB 3.33Å; Y192-A196 PolarHBondContact O-N 2.94Å
193K86.1Confident88.1Confident68 Ų6892.1 Ų92.130%0.29647%0.47SS..Hα-helixtrans-59.5-47.5173.6-174.9178.1176.9-1770111.2L189 E190 I191 M195 A196 I197L189-K193 VanDerWaalsContact O-CB 3.3Å; L189-K193 WeakPolarHBondContact O-CB 3.35Å; L189-K193 PolarHBondContact O-N 3.23Å; E190-K193 IonicContact OE1-NZ 2.76Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 2.96Å; K193-M195 PolarHBondContact O-N 3.12Å; K193-A196 PolarHBondContact O-N 2.98Å; K193-I197 HydrophobicContact CG-CD1 4.28Å; K193-I197 VanDerWaalsContact O-CG1 3.31Å; K193-I197 WeakPolarHBondContact O-CG1 3.39Å; K193-I197 PolarHBondContact O-N 3.46Å
194K88.6Confident87.5Confident130 Ų13090.9 Ų90.957%0.56546%0.461SS*.Hα-helixtrans-62-42.2174.8-72.6172.8-175.7173.70112.2E190 I191 I197 M198E190-K194 WeakPolarHBondContact O-CG 3.48Å; E190-K194 PolarHBondContact O-N 2.84Å; I191-K194 PolarHBondContact O-N 3.34Å; K194-I197 PolarHBondContact O-N 2.85Å; K194-M198 WeakPolarHBondContact O-CG 3.48Å; K194-M198 PolarHBondContact O-N 2.84Å
195M89.6Confident87.1Confident103 Ų10386.1 Ų86.151%0.50745%0.451SS..Hα-helixtrans-62.5-42.5176.3-74.1-173.2-173.500112.2I191 Y192 K193 M198 A199I191-M195 HydrophobicContact CG2-CE 3.76Å; I191-M195 HydrophobicContact CG2-SD 4.49Å; I191-M195 WeakPolarHBondContact O-CG 3.24Å; I191-M195 PolarHBondContact O-N 3.46Å; Y192-M195 PolarHBondContact O-N 3.1Å; K193-M195 PolarHBondContact O-N 3.12Å; M195-M198 HydrophobicContact CG-CE 4.16Å; M195-M198 PolarHBondContact O-N 3.43Å; M195-A199 WeakPolarHBondContact O-CB 3.11Å; M195-A199 PolarHBondContact O-N 3.18Å
196A85.1Confident86.8Confident41 Ų4188.8 Ų88.834%0.33946%0.455SS..Hα-helixtrans-60.8-45.8176.700000111.3Y192 K193 M198 A199 Q200Y192-A196 WeakPolarHBondContact O-CB 3.33Å; Y192-A196 PolarHBondContact O-N 2.94Å; K193-A196 PolarHBondContact O-N 2.98Å; A196-M198 PolarHBondContact O-N 3.36Å; A196-A199 PolarHBondContact O-N 2.94Å; A196-Q200 WeakPolarHBondContact O-CB 3.48Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.92Å
197I83.8Confident86.3Confident64 Ų6485.1 Ų85.133%0.32844%0.439SS..Hα-helixtrans-60.7-45.3176.2-66.6164.3000111K193 K194 A199 Q200 N201K193-I197 HydrophobicContact CG-CD1 4.28Å; K193-I197 VanDerWaalsContact O-CG1 3.31Å; K193-I197 WeakPolarHBondContact O-CG1 3.39Å; K193-I197 PolarHBondContact O-N 3.46Å; K194-I197 PolarHBondContact O-N 2.85Å; I197-A199 PolarHBondContact O-N 3.44Å; I197-Q200 PolarHBondContact O-N 3.27Å; I197-N201 WeakPolarHBondContact O-CB 3.45Å; I197-N201 VanDerWaalsContact O-CG 3.28Å; I197-N201 PolarHBondContact O-N 2.98Å; I197-N201 PolarHBondContact O-ND2 3.27Å
198M84.9Confident85.5Confident116 Ų11682.9 Ų82.957%0.57143%0.431SS*.Hα-helixtrans-61.9-44.4176.9-73.3-172.3-63.300111.9K194 M195 A196 Q200 N201 V202K194-M198 WeakPolarHBondContact O-CG 3.48Å; K194-M198 PolarHBondContact O-N 2.84Å; M195-M198 HydrophobicContact CG-CE 4.16Å; M195-M198 PolarHBondContact O-N 3.43Å; A196-M198 PolarHBondContact O-N 3.36Å; M198-Q200 PolarHBondContact O-N 3.33Å; M198-N201 PolarHBondContact O-N 3.46Å; M198-V202 WeakPolarHBondContact O-CG2 3.44Å; M198-V202 PolarHBondContact O-N 3.48Å
199A85.6Confident84.8Confident63 Ų6383.4 Ų83.452%0.52145%0.446SS..Hα-helixtrans-62.6-42178.500000111.8M195 A196 I197 V202 L203M195-A199 WeakPolarHBondContact O-CB 3.11Å; M195-A199 PolarHBondContact O-N 3.18Å; A196-A199 PolarHBondContact O-N 2.94Å; I197-A199 PolarHBondContact O-N 3.44Å; A199-V202 PolarHBondContact O-N 3.21Å; A199-L203 WeakPolarHBondContact O-CB 3.17Å; A199-L203 PolarHBondContact O-N 3.42Å
200Q82.1Confident84.1Confident48 Ų4880.7 Ų80.722%0.22444%0.435CS..Hα-helixtrans-61.3-45.7173.9-74.5177.3-37.700112A196 I197 M198 V202 L203 R204 L227 F230A196-Q200 WeakPolarHBondContact O-CB 3.48Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.92Å; I197-Q200 PolarHBondContact O-N 3.27Å; M198-Q200 PolarHBondContact O-N 3.33Å; Q200-V202 VanDerWaalsContact C-N 3.34Å; Q200-V202 PolarHBondContact O-N 2.92Å; Q200-L203 PolarHBondContact O-N 2.94Å; Q200-R204 WeakPolarHBondContact O-CB 3.47Å; Q200-R204 PolarHBondContact O-N 3.49Å; Q200-L227 HydrophobicContact CB-CD2 3.81Å; Q200-L227 HydrophobicContact CG-CD2 3.65Å; Q200-F230 VanDerWaalsContact CD-CE2 3.5Å; Q200-F230 VanDerWaalsContact OE1-CE2 3.27Å
201N82.4Confident82.8Confident94 Ų9487.2 Ų87.250%0.50346%0.462SS..Hα-helixtrans-62-40.6177.7-74.7-25.4000112.3I197 M198 R204 G205I197-N201 WeakPolarHBondContact O-CB 3.45Å; I197-N201 VanDerWaalsContact O-CG 3.28Å; I197-N201 PolarHBondContact O-N 2.98Å; I197-N201 PolarHBondContact O-ND2 3.27Å; M198-N201 PolarHBondContact O-N 3.46Å; N201-R204 PolarHBondContact O-N 3.11Å; N201-G205 PolarHBondContact O-N 2.79Å
202V86.7Confident81.6Confident91 Ų9187.2 Ų87.255%0.55247%0.466SS*.Hα-helixtrans-64.1-47.3174.6171.10000110.7M198 A199 Q200 R204 G205 I206M198-V202 WeakPolarHBondContact O-CG2 3.44Å; M198-V202 PolarHBondContact O-N 3.48Å; A199-V202 PolarHBondContact O-N 3.21Å; Q200-V202 VanDerWaalsContact C-N 3.34Å; Q200-V202 PolarHBondContact O-N 2.92Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.27Å; V202-G205 PolarHBondContact O-N 3.47Å; V202-I206 HydrophobicContact CG1-CD1 3.91Å; V202-I206 WeakPolarHBondContact O-CG1 3.49Å; V202-I206 PolarHBondContact O-N 3.04Å
203L84.5Confident80.6Confident86 Ų8684.5 Ų84.545%0.4546%0.463SS..Hα-helixtrans-58.9-43.3178179.761.6000111.5A199 Q200 I206 L207 L227A199-L203 WeakPolarHBondContact O-CB 3.17Å; A199-L203 PolarHBondContact O-N 3.42Å; Q200-L203 PolarHBondContact O-N 2.94Å; L203-I206 PolarHBondContact O-N 3.47Å; L203-L207 HydrophobicContact CD1-CD1 4.39Å; L203-L207 HydrophobicContact CD1-CG 4.43Å; L203-L207 HydrophobicContact CG-CD1 4.15Å; L203-L207 WeakPolarHBondContact O-CG 3.32Å; L203-L207 PolarHBondContact O-N 2.66Å; L203-L227 HydrophobicContact CD2-CD1 4.41Å
204R78Confident80Confident69 Ų6983.7 Ų83.726%0.2646%0.458SS..Hα-helixtrans-59.7-48.4174.6-175.3-177.7179.9-178.85.7111.6Q200 N201 V202 I206 L207 L208 E228Q200-R204 WeakPolarHBondContact O-CB 3.47Å; Q200-R204 PolarHBondContact O-N 3.49Å; N201-R204 PolarHBondContact O-N 3.11Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.27Å; R204-I206 VanDerWaalsContact C-N 3.28Å; R204-I206 PolarHBondContact O-N 3.16Å; R204-L207 PolarHBondContact O-N 2.89Å; R204-L208 HydrophobicContact CG-CD1 4.07Å; R204-L208 HydrophobicContact CG-CG 4.42Å; R204-L208 WeakPolarHBondContact O-CB 3.43Å; R204-L208 WeakPolarHBondContact O-CG 3.3Å; R204-L208 PolarHBondContact O-N 3.31Å; R204-E228 IonicContact CZ-OE1 3.07Å; R204-E228 VanDerWaalsContact NH1-CG 3.35Å; R204-E228 IonicContact NH1-OE1 2.77Å; R204-E228 PolarHBondContact NH1-OE1 2.96Å; R204-E228 IonicContact NH2-OE1 2.64Å; R204-E228 PolarHBondContact NH2-OE1 3.48Å
205G81.9Confident79.1Confident37 Ų3782.1 Ų82.138%0.38146%0.455SS..Hα-helixtrans-57.5-41.1177.600000112.5N201 V202 A209N201-G205 PolarHBondContact O-N 2.79Å; V202-G205 PolarHBondContact O-N 3.47Å; G205-A209 VanDerWaalsContact O-CB 3.31Å; G205-A209 WeakPolarHBondContact O-CB 3.49Å; G205-A209 PolarHBondContact O-N 3.32Å
206I83.9Confident78.4Confident93 Ų9382.6 Ų82.648%0.47746%0.46SS..Hα-helixtrans-64.6-49.8175.2-66.6167.2000110.6V202 L203 R204 L208 A209 C210V202-I206 HydrophobicContact CG1-CD1 3.91Å; V202-I206 WeakPolarHBondContact O-CG1 3.49Å; V202-I206 PolarHBondContact O-N 3.04Å; L203-I206 PolarHBondContact O-N 3.47Å; R204-I206 VanDerWaalsContact C-N 3.28Å; R204-I206 PolarHBondContact O-N 3.16Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 2.64Å; I206-A209 PolarHBondContact O-N 2.77Å; I206-A209 VanDerWaalsContact O-N 3.11Å; I206-C210 WeakPolarHBondContact O-CB 3.31Å; I206-C210 PolarHBondContact O-N 3.48Å; I206-C210 PolarHBondContact O-SG 3.48Å
207L77.8Confident78.2Confident38 Ų3886 Ų8620%0.19947%0.469CS..Hα-helixtrans-59.9-39.6-179.8-73.7171.7000112.4L203 R204 V224 L227L203-L207 HydrophobicContact CD1-CD1 4.39Å; L203-L207 HydrophobicContact CD1-CG 4.43Å; L203-L207 HydrophobicContact CG-CD1 4.15Å; L203-L207 WeakPolarHBondContact O-CG 3.32Å; L203-L207 PolarHBondContact O-N 2.66Å; R204-L207 PolarHBondContact O-N 2.89Å; L207-V224 HydrophobicContact CB-CG2 4.15Å; L207-V224 HydrophobicContact CD1-CG2 3.81Å; L207-L227 HydrophobicContact CD1-CD1 4.39Å
208L76.8Confident77.9Confident82 Ų8286.7 Ų86.743%0.42948%0.477SS..Hα-helixtrans-67.5-35.5175.2-71.5174.1000112.8R204 I206 W214R204-L208 HydrophobicContact CG-CD1 4.07Å; R204-L208 HydrophobicContact CG-CG 4.42Å; R204-L208 WeakPolarHBondContact O-CB 3.43Å; R204-L208 WeakPolarHBondContact O-CG 3.3Å; R204-L208 PolarHBondContact O-N 3.31Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 2.64Å; L208-W214 HydrophobicContact CD2-CH2 3.96Å; L208-W214 HydrophobicContact CD2-CZ2 3.44Å; L208-W214 VanDerWaalsContact CD2-CZ2 3.44Å
209A78.4Confident77.6Confident85 Ų8586.4 Ų86.470%0.70248%0.478SS*.Hα-helixtrans-80.6-26.3-179.500000113.2G205 I206 K211G205-A209 VanDerWaalsContact O-CB 3.31Å; G205-A209 WeakPolarHBondContact O-CB 3.49Å; G205-A209 PolarHBondContact O-N 3.32Å; I206-A209 PolarHBondContact O-N 2.77Å; I206-A209 VanDerWaalsContact O-N 3.11Å; A209-K211 PolarHBondContact O-N 2.94Å
210C75.1Confident77.1Confident56 Ų5685.8 Ų85.838%0.37847%0.466SS..SBendtrans-67.7129.5174.1-73.70000110.2I206 V212I206-C210 WeakPolarHBondContact O-CB 3.31Å; I206-C210 PolarHBondContact O-N 3.48Å; I206-C210 PolarHBondContact O-SG 3.48Å; C210-V212 HydrophobicContact CB-CG2 4.14Å; C210-V212 PolarHBondContact O-N 3.26Å
211K65Low76.8Confident221 Ų22189.4 Ų89.496%0.96148%0.478SS*.  trans-70.736.1172.5-71.1-173.9173.7-178.90113.2A209A209-K211 PolarHBondContact O-N 2.94Å
212V67.9Low76.5Confident85 Ų8590.7 Ų90.752%0.51548%0.48SS..  trans-84135.9169.9178.90000106.3C210 W214 L220C210-V212 HydrophobicContact CB-CG2 4.14Å; C210-V212 PolarHBondContact O-N 3.26Å; V212-W214 PolarHBondContact O-N 3.24Å; V212-L220 HydrophobicContact CG1-CD2 3.89Å
213N69.3Low76Confident104 Ų10490.4 Ų90.456%0.55648%0.475SS*.  trans-7958.3-176.4-151.310.8000111L215 D216 E217N213-L215 PolarHBondContact O-N 3.04Å; N213-L215 VanDerWaalsContact O-N 3.16Å; N213-D216 VanDerWaalsContact CG-OD2 3.29Å; N213-D216 PolarHBondContact ND2-OD2 2.93Å; N213-D216 PolarHBondContact O-N 3.05Å; N213-D216 VanDerWaalsContact O-N 3.11Å; N213-D216 PolarHBondContact OD1-OD2 3.25Å; N213-E217 PolarHBondContact O-N 3.18Å
214W73.5Confident75.5Confident51 Ų5186.5 Ų86.519%0.19345%0.454CS..THydrogen-bonded Turntrans-64-18.3-173.161.2-98.7000113.2L208 V212 D216 L220 R221 V224L208-W214 HydrophobicContact CD2-CH2 3.96Å; L208-W214 HydrophobicContact CD2-CZ2 3.44Å; L208-W214 VanDerWaalsContact CD2-CZ2 3.44Å; V212-W214 PolarHBondContact O-N 3.24Å; W214-D216 VanDerWaalsContact C-N 3.34Å; W214-L220 HydrophobicContact CB-CB 4.4Å; W214-L220 HydrophobicContact CB-CD2 3.72Å; W214-L220 HydrophobicContact CB-CG 4.24Å; W214-R221 PolarHBondContact O-N 2.95Å; W214-V224 HydrophobicContact CE3-CB 4.45Å; W214-V224 HydrophobicContact CE3-CG1 4.27Å; W214-V224 HydrophobicContact CZ3-CG1 4.18Å
215L68.1Low75.2Confident97 Ų9787.7 Ų87.751%0.50846%0.464SS..THydrogen-bonded Turntrans-70.8-32.4176-167.467.5000112.2N213N213-L215 PolarHBondContact O-N 3.04Å; N213-L215 VanDerWaalsContact O-N 3.16Å
216D75.6Confident74.6Confident114 Ų11489.9 Ų89.961%0.6147%0.47SS*.THydrogen-bonded Turntrans-92.3-16.4-176.3-67.6-20.5000112.7N213 W214 P218N213-D216 VanDerWaalsContact CG-OD2 3.29Å; N213-D216 PolarHBondContact ND2-OD2 2.93Å; N213-D216 PolarHBondContact O-N 3.05Å; N213-D216 VanDerWaalsContact O-N 3.11Å; N213-D216 PolarHBondContact OD1-OD2 3.25Å; W214-D216 VanDerWaalsContact C-N 3.34Å; D216-P218 WeakPolarHBondContact O-CD 3.4Å
217E80.6Confident73.9Confident113 Ų11386.6 Ų86.653%0.52845%0.453SS..  trans-92.6105.8174.8-85.3-87.8153.900110.4N213 N219 L220 R221N213-E217 PolarHBondContact O-N 3.18Å; E217-N219 VanDerWaalsContact C-N 3.35Å; E217-N219 PolarHBondContact O-N 2.96Å; E217-L220 HydrophobicContact CB-CB 3.88Å; E217-L220 PolarHBondContact O-N 3.43Å; E217-L220 VanDerWaalsContact O-N 3.13Å; E217-R221 WeakPolarHBondContact O-CB 3.29Å; E217-R221 PolarHBondContact O-N 3.29Å
218P78.3Confident73.1Confident78 Ų7889.8 Ų89.851%0.50647%0.467SS..Hα-helixtrans-62.1-36.8-170.720.6-30.9000113.9D216 E222D216-P218 WeakPolarHBondContact O-CD 3.4Å; P218-E222 WeakPolarHBondContact O-CB 3.44Å; P218-E222 PolarHBondContact O-N 3.4Å
219N77.9Confident72.1Confident110 Ų11092 Ų9259%0.58848%0.48SS*.Hα-helixtrans-67.8-38.3177.4-64.3-28000111.8E217 E222 I223E217-N219 VanDerWaalsContact C-N 3.35Å; E217-N219 PolarHBondContact O-N 2.96Å; N219-E222 PolarHBondContact O-N 3.39Å; N219-I223 WeakPolarHBondContact O-CD1 3.49Å; N219-I223 VanDerWaalsContact O-CG1 3.28Å; N219-I223 WeakPolarHBondContact O-CG1 3.39Å; N219-I223 PolarHBondContact O-N 3.39Å; N219-I223 VanDerWaalsContact O-N 3.09Å
220L75.1Confident71Confident50 Ų5093.6 Ų93.626%0.26247%0.471SS..Hα-helixtrans-74.8-37.1-179.7-144.270.1000110.8V212 W214 E217 I223 V224V212-L220 HydrophobicContact CG1-CD2 3.89Å; W214-L220 HydrophobicContact CB-CB 4.4Å; W214-L220 HydrophobicContact CB-CD2 3.72Å; W214-L220 HydrophobicContact CB-CG 4.24Å; E217-L220 HydrophobicContact CB-CB 3.88Å; E217-L220 PolarHBondContact O-N 3.43Å; E217-L220 VanDerWaalsContact O-N 3.13Å; L220-I223 PolarHBondContact O-N 3.49Å; L220-V224 WeakPolarHBondContact O-CB 3.49Å; L220-V224 VanDerWaalsContact O-CG2 3.29Å; L220-V224 WeakPolarHBondContact O-CG2 3.39Å; L220-V224 PolarHBondContact O-N 3.39Å
221R76.3Confident70Confident124 Ų12496.7 Ų96.747%0.46849%0.491SS..Hα-helixtrans-59.5-45170.8-169.3-179.577.3-169.65.3111.6W214 E217 V224 M225W214-R221 PolarHBondContact O-N 2.95Å; E217-R221 WeakPolarHBondContact O-CB 3.29Å; E217-R221 PolarHBondContact O-N 3.29Å; R221-V224 PolarHBondContact O-N 2.8Å; R221-M225 HydrophobicContact CG-CG 4.37Å; R221-M225 WeakPolarHBondContact O-CB 3.35Å; R221-M225 WeakPolarHBondContact O-CG 3.34Å; R221-M225 PolarHBondContact O-N 2.94Å
222E76.5Confident69.2Low120 Ų12090.3 Ų90.356%0.56147%0.466SS*.Hα-helixtrans-61.1-46.6176.7-175.9176.4-164.800111.5P218 N219 V224 M225 T226P218-E222 WeakPolarHBondContact O-CB 3.44Å; P218-E222 PolarHBondContact O-N 3.4Å; N219-E222 PolarHBondContact O-N 3.39Å; E222-V224 PolarHBondContact O-N 2.87Å; E222-M225 PolarHBondContact O-N 3.49Å; E222-T226 HydrophobicContact CG-CG2 4.18Å; E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 VanDerWaalsContact O-CG2 3.24Å; E222-T226 WeakPolarHBondContact O-CG2 3.43Å; E222-T226 PolarHBondContact O-N 3.36Å; E222-T226 PolarHBondContact O-OG1 2.92Å
223I75.6Confident68.2Low86 Ų8691.7 Ų91.744%0.44148%0.48SS..Hα-helixtrans-62.3-43.8177.5-67.4164.7000111.4N219 L220 M225 T226 L227N219-I223 WeakPolarHBondContact O-CD1 3.49Å; N219-I223 VanDerWaalsContact O-CG1 3.28Å; N219-I223 WeakPolarHBondContact O-CG1 3.39Å; N219-I223 PolarHBondContact O-N 3.39Å; N219-I223 VanDerWaalsContact O-N 3.09Å; L220-I223 PolarHBondContact O-N 3.49Å; I223-M225 PolarHBondContact O-N 2.95Å; I223-T226 WeakPolarHBondContact CA-OG1 3.37Å; I223-T226 PolarHBondContact O-OG1 3.36Å; I223-L227 HydrophobicContact CG2-CD1 4.21Å; I223-L227 WeakPolarHBondContact O-CD1 3.45Å; I223-L227 WeakPolarHBondContact O-CG 3.35Å; I223-L227 PolarHBondContact O-N 3.31Å; I223-L227 VanDerWaalsContact O-N 3.17Å
224V73.1Confident66.8Low3 Ų397.4 Ų97.42%0.01851%0.51CS..Hα-helixtrans-66.5-36178.91720000112.3L207 W214 L220 R221 E222L207-V224 HydrophobicContact CB-CG2 4.15Å; L207-V224 HydrophobicContact CD1-CG2 3.81Å; W214-V224 HydrophobicContact CE3-CB 4.45Å; W214-V224 HydrophobicContact CE3-CG1 4.27Å; W214-V224 HydrophobicContact CZ3-CG1 4.18Å; L220-V224 WeakPolarHBondContact O-CB 3.49Å; L220-V224 VanDerWaalsContact O-CG2 3.29Å; L220-V224 WeakPolarHBondContact O-CG2 3.39Å; L220-V224 PolarHBondContact O-N 3.39Å; R221-V224 PolarHBondContact O-N 2.8Å; E222-V224 PolarHBondContact O-N 2.87Å
225M71.9Confident66.4Low94 Ų9499.7 Ų99.746%0.46353%0.526SS..Hα-helixtrans-78.9-35.9178.8-68.2-67.4-174.500112.7R221 E222 I223 L227 E228R221-M225 HydrophobicContact CG-CG 4.37Å; R221-M225 WeakPolarHBondContact O-CB 3.35Å; R221-M225 WeakPolarHBondContact O-CG 3.34Å; R221-M225 PolarHBondContact O-N 2.94Å; E222-M225 PolarHBondContact O-N 3.49Å; I223-M225 PolarHBondContact O-N 2.95Å; M225-L227 VanDerWaalsContact C-N 3.31Å; M225-L227 PolarHBondContact O-N 3.31Å; M225-E228 WeakPolarHBondContact O-CB 3.37Å; M225-E228 PolarHBondContact O-N 3.11Å
226T69.8Low66.3Low83 Ų8399.8 Ų99.851%0.50953%0.527SS..Hα-helixtrans-76.9-17178.7530000113.4E222 I223 E228 D229E222-T226 HydrophobicContact CG-CG2 4.18Å; E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 VanDerWaalsContact O-CG2 3.24Å; E222-T226 WeakPolarHBondContact O-CG2 3.43Å; E222-T226 PolarHBondContact O-N 3.36Å; E222-T226 PolarHBondContact O-OG1 2.92Å; I223-T226 WeakPolarHBondContact CA-OG1 3.37Å; I223-T226 PolarHBondContact O-OG1 3.36Å; T226-E228 PolarHBondContact O-N 2.91Å; T226-D229 PolarHBondContact O-N 3.21Å
227L69.9Low65.8Low24 Ų2499.1 Ų99.113%0.12652%0.522CS..THydrogen-bonded Turntrans-65.3-10.5169.2-81162.8000113.4Q200 L203 L207 I223 M225Q200-L227 HydrophobicContact CB-CD2 3.81Å; Q200-L227 HydrophobicContact CG-CD2 3.65Å; L203-L227 HydrophobicContact CD2-CD1 4.41Å; L207-L227 HydrophobicContact CD1-CD1 4.39Å; I223-L227 HydrophobicContact CG2-CD1 4.21Å; I223-L227 WeakPolarHBondContact O-CD1 3.45Å; I223-L227 WeakPolarHBondContact O-CG 3.35Å; I223-L227 PolarHBondContact O-N 3.31Å; I223-L227 VanDerWaalsContact O-N 3.17Å; M225-L227 VanDerWaalsContact C-N 3.31Å; M225-L227 PolarHBondContact O-N 3.31Å
228E59.8Low65Low105 Ų10598.2 Ų98.249%0.49152%0.522SS..THydrogen-bonded Turntrans-76.8-33.7174.2-63.2-161.7128.700113.4R204 M225 T226R204-E228 IonicContact CZ-OE1 3.07Å; R204-E228 VanDerWaalsContact NH1-CG 3.35Å; R204-E228 IonicContact NH1-OE1 2.77Å; R204-E228 PolarHBondContact NH1-OE1 2.96Å; R204-E228 IonicContact NH2-OE1 2.64Å; R204-E228 PolarHBondContact NH2-OE1 3.48Å; M225-E228 WeakPolarHBondContact O-CB 3.37Å; M225-E228 PolarHBondContact O-N 3.11Å; T226-E228 PolarHBondContact O-N 2.91Å
229D57.2Low64.1Low130 Ų13099.5 Ų99.570%0.69552%0.523SS*.  trans-117.7105-168.3-70.1-31000110.7T226 P231T226-D229 PolarHBondContact O-N 3.21Å; D229-P231 WeakPolarHBondContact O-CD 3.31Å
230F54.8Low63.2Low118 Ų11898.8 Ų98.852%0.51852%0.518SS..  trans-85.1114.3155.9-120-70.7000107.3Q200 I232Q200-F230 VanDerWaalsContact CD-CE2 3.5Å; Q200-F230 VanDerWaalsContact OE1-CE2 3.27Å; F230-I232 HydrophobicContact CB-CD1 4.35Å; F230-I232 HydrophobicContact CB-CG1 4.18Å; F230-I232 PolarHBondContact O-N 2.86Å
231P53Low62.4Low121 Ų121102.3 Ų102.379%0.78654%0.536SS*.  trans-71.591.116829.2-30.4000107.2D229 S233D229-P231 WeakPolarHBondContact O-CD 3.31Å; P231-S233 PolarHBondContact O-N 3.49Å
232I49.8Very low61.3Low87 Ų87100.6 Ų100.645%0.44654%0.542SS..  trans-85.596167.2-59.4153.2000104.3F230 D234F230-I232 HydrophobicContact CB-CD1 4.35Å; F230-I232 HydrophobicContact CB-CG1 4.18Å; F230-I232 PolarHBondContact O-N 2.86Å; I232-D234 PolarHBondContact O-N 3.06Å
233S46.3Very low60Low114 Ų11499 Ų9980%0.79754%0.54SS*.  trans-68.7124.7166.1-1600000107.4P231P231-S233 PolarHBondContact O-N 3.49Å
234D39Very low58.6Low223 Ų223100.2 Ų100.2100%1.19355%0.549SS*.  trans-58.90165.3-78.5-26.4000111.3I232I232-D234 PolarHBondContact O-N 3.06Å

Retrieved 234 of 234 residues in 894.4 ms (Link to these results)