A0A077ZIU0_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 19

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077ZIU0, Species TRITR (Trichuris trichiura, Whipworm), Gene MED19, Length 272 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
1M46.5Very low46.3Very low231 Ų231149.6 Ų149.6100%1.13884%0.835SS**  0116.30-70.8174.1178.500105.9
2E43.1Very low46.8Very low184 Ų184148.5 Ų148.586%0.8684%0.835SS**  trans46.7107.7156-67.8159.4132.600117.5
3E40.8Very low46.9Very low182 Ų182151.3 Ų151.385%0.8584%0.838SS**  54.2118.264.5-68.6-160.6169.600115.9
4T51.2Low46.8Very low131 Ų131146.7 Ų146.780%0.80483%0.829SS**  trans129144.6151.746.90000113
5E49.7Very low46.9Very low163 Ų163152.5 Ų152.576%0.76283%0.832SS**  cis-165.1139.2-24.6-123.1-173130.200106.2
6N44Very low46.8Very low132 Ų132152 Ų15271%0.70683%0.829SS**  trans26.4123.7145-66.2-31.6000121.4
7N48Very low46.6Very low172 Ų172150.8 Ų150.892%0.9283%0.834SS**  -157.5128.6124.8-98.8-44.9000112.2
8S39.8Very low46.6Very low118 Ų118147.3 Ų147.383%0.82582%0.822SS**  trans-86.2138.1-176.163.30000113.2
9A46.9Very low46.6Very low92 Ų92144.1 Ų144.176%0.7683%0.825SS**  trans-156.7129.5146.400000109.6
10P51.6Low47Very low124 Ų124143.4 Ų143.481%0.80582%0.817SS**  trans-86.5146.1-174.333.5-31.7000112.1
11P48.4Very low47.4Very low117 Ų117143 Ų14376%0.7681%0.812SS**  trans-83.3125.2179.532-30.9000112.5
12T51.5Low47.9Very low136 Ų136143 Ų14383%0.83480%0.8SS**  trans46.1115.8137.327.50000121A14T12-A14 PolarHBondContact O-N 2.99Å
13Q48Very low48.7Very low185 Ų185137.5 Ų137.586%0.86478%0.779SS**  trans-65.4107.7167.9-63.5175.5-0.500111.7R15Q13-R15 PolarHBondContact O-N 3.11Å
14A46.2Very low49.6Very low87 Ų87136.8 Ų136.872%0.71977%0.773SS**  trans-78.3108.3162.100000109.3T12 D16T12-A14 PolarHBondContact O-N 2.99Å; A14-D16 PolarHBondContact O-N 2.65Å
15R48.5Very low50.2Low233 Ų233135.4 Ų135.488%0.87976%0.76SS**  trans-81.690.6168.6-87.6-166.9172.1177.9-0.7109.3Q13 S17Q13-R15 PolarHBondContact O-N 3.11Å; R15-S17 PolarHBondContact O-N 3.49Å
16D44.7Very low50.8Low145 Ų145129.6 Ų129.678%0.77574%0.737SS**  trans-83.9100.2165.4-73.6-32.2000110.1A14 S18A14-D16 PolarHBondContact O-N 2.65Å; D16-S18 VanDerWaalsContact C-N 3.28Å; D16-S18 PolarHBondContact O-N 3.36Å
17S43.1Very low51.5Low132 Ų132131 Ų13192%0.92374%0.744SS**  trans-72.682.7166.2-165.10000108.9R15R15-S17 PolarHBondContact O-N 3.49Å
18S46.8Very low52.2Low87 Ų87125.2 Ų125.261%0.60872%0.724SS**  trans-121.4111.116158.80000108.4D16 I20D16-S18 VanDerWaalsContact C-N 3.28Å; D16-S18 PolarHBondContact O-N 3.36Å; S18-I20 PolarHBondContact O-N 3.39Å
19G47Very low53.4Low86 Ų86132.1 Ų132.189%0.88773%0.732SS**  trans-69.663.7-171.900000114.4L21G19-L21 PolarHBondContact O-N 2.95Å
20I53.8Low54Low130 Ų130136.5 Ų136.567%0.66773%0.734SS**  trans-91.397.7167-77.4158.8000107.5S18 R22S18-I20 PolarHBondContact O-N 3.39Å; I20-R22 HydrophobicContact CG2-CG 4.06Å; I20-R22 PolarHBondContact O-N 2.91Å
21L56.9Low54.4Low136 Ų136135.2 Ų135.271%0.71273%0.725SS**  trans-58.9102.5163.6-117.891.3000107.1G19 T23G19-L21 PolarHBondContact O-N 2.95Å; L21-T23 PolarHBondContact O-N 3.18Å; L21-T23 PolarHBondContact O-OG1 3.31Å
22R55.9Low54.9Low232 Ų232132.7 Ų132.788%0.87571%0.711SS**  trans-73.870.7173.7-71.7-173.9169.9-178.6-2.2109.8I20 K24I20-R22 HydrophobicContact CG2-CG 4.06Å; I20-R22 PolarHBondContact O-N 2.91Å; R22-K24 PolarHBondContact O-N 3.05Å; R22-K24 VanDerWaalsContact O-N 3.16Å
23T59.9Low55.2Low68 Ų68130.7 Ų130.742%0.41769%0.694SS.*  trans-72.498.7161.312.40000107.7L21 I25L21-T23 PolarHBondContact O-N 3.18Å; L21-T23 PolarHBondContact O-OG1 3.31Å; T23-I25 PolarHBondContact O-N 3.04Å
24K60.1Low56Low166 Ų166126.9 Ų126.972%0.72268%0.678SS**  trans-68.1102.1168.6-96.3-171.6173.8-177.90108.4R22 I34R22-K24 PolarHBondContact O-N 3.05Å; R22-K24 VanDerWaalsContact O-N 3.16Å; K24-I34 HydrophobicContact CB-CD1 4.29Å
25I62.6Low56.8Low103 Ų103128 Ų12853%0.52867%0.67SS.*EExtended strand (participates in β ladder)trans-91111.7169.8-53.7169.7000106.7T23 L27T23-I25 PolarHBondContact O-N 3.04Å; I25-L27 HydrophobicContact CG2-CG 4.37Å; I25-L27 PolarHBondContact O-N 3.07Å
26S63.1Low57.7Low40 Ų40120.3 Ų120.328%0.2865%0.65SS.*EExtended strand (participates in β ladder)trans-80.599.5174.9-26.60000107.9G28 P31 S32 I34S26-G28 PolarHBondContact O-N 3.41Å; S26-P31 VanDerWaalsContact O-CA 3.32Å; S26-P31 WeakPolarHBondContact O-CA 3.12Å; S26-S32 PolarHBondContact N-O 3.41Å; S26-S32 PolarHBondContact O-N 3.32Å; S26-S32 PolarHBondContact OG-O 3.44Å; S26-I34 WeakPolarHBondContact OG-CD1 3.39Å; S26-I34 WeakPolarHBondContact OG-CG1 3.46Å
27L58.1Low59Low163 Ų163118.4 Ų118.485%0.85364%0.635SS**  trans-78.171.6173-72.9153.3000109.5I25I25-L27 HydrophobicContact CG2-CG 4.37Å; I25-L27 PolarHBondContact O-N 3.07Å
28G64.2Low60.3Low49 Ų49121.3 Ų121.351%0.50563%0.628SS.*SBendtrans-101-176.2170.100000112S26 K30S26-G28 PolarHBondContact O-N 3.41Å; G28-K30 CarbonylContact O-C 3.58Å; G28-K30 PolarHBondContact O-N 3.18Å
29R64.1Low61.5Low263 Ų263125.3 Ų125.399%0.99264%0.641SS**SBendtrans-55.7-20.5172.4-71.7-175.1-174.2166.52113.5
30K59.7Low62.8Low184 Ų184125.5 Ų125.580%0.862%0.62SS**SBendtrans-127107.9164.7-72.1179.1178.8174.50107.1G28 S32G28-K30 CarbonylContact O-C 3.58Å; G28-K30 PolarHBondContact O-N 3.18Å; K30-S32 PolarHBondContact O-N 3.03Å; K30-S32 VanDerWaalsContact O-N 3.09Å
31P60.6Low63.8Low97 Ų97128 Ų12863%0.6363%0.626SS**  trans-63.5115176.225.1-31.5000108.8S26S26-P31 VanDerWaalsContact O-CA 3.32Å; S26-P31 WeakPolarHBondContact O-CA 3.12Å
32S57.2Low64.6Low65 Ų65128.4 Ų128.446%0.45563%0.629SS.*EExtended strand (participates in β ladder)trans-110.3119.3170.965.10000109S26 K30 I34S26-S32 PolarHBondContact N-O 3.41Å; S26-S32 PolarHBondContact O-N 3.32Å; S26-S32 PolarHBondContact OG-O 3.44Å; K30-S32 PolarHBondContact O-N 3.03Å; K30-S32 VanDerWaalsContact O-N 3.09Å; S32-I34 PolarHBondContact O-N 3.49Å
33I59Low65.5Low93 Ų93126.5 Ų126.548%0.47763%0.63SS.*EExtended strand (participates in β ladder)trans-77.1108.6167.2-65170.5000105.4M35I33-M35 WeakPolarHBondContact CG2-O 3.41Å; I33-M35 PolarHBondContact O-N 3.18Å
34I65.2Low66.4Low105 Ų105130.6 Ų130.654%0.53865%0.649SS.*SBendtrans-66.8-20-173.5-68.1165.2000111.8K24 S26 S32K24-I34 HydrophobicContact CB-CD1 4.29Å; S26-I34 WeakPolarHBondContact OG-CD1 3.39Å; S26-I34 WeakPolarHBondContact OG-CG1 3.46Å; S32-I34 PolarHBondContact O-N 3.49Å
35M61.6Low67.3Low111 Ų111127.6 Ų127.655%0.54765%0.646SS.*SBendtrans-142.3117.1176.7-81.4-70.7-70.400109.7I33 F37I33-M35 WeakPolarHBondContact CG2-O 3.41Å; I33-M35 PolarHBondContact O-N 3.18Å; M35-F37 PolarHBondContact O-N 3.21Å
36P68.6Low68.2Low72 Ų72128.3 Ų128.347%0.46866%0.66SS.*PPolyproline II helixtrans-57.7141174.924.2-31.1000109Y38 M40P36-Y38 PolarHBondContact O-N 3.46Å; P36-M40 HydrophobicContact CB-CE 4.41Å
37F70.6Confident69.3Low104 Ų104131.8 Ų131.846%0.45668%0.675SS.*PPolyproline II helixtrans-60.1138.7178.956.4-100000109.8M35 L39 M40M35-F37 PolarHBondContact O-N 3.21Å; F37-L39 PolarHBondContact O-N 3.38Å; F37-M40 HydrophobicContact CD1-CB 3.76Å; F37-M40 HydrophobicContact CD1-CE 4.06Å; F37-M40 HydrophobicContact CD1-CG 4.09Å; F37-M40 HydrophobicContact CD1-SD 3.72Å; F37-M40 HydrophobicContact CD2-CB 3.46Å; F37-M40 VanDerWaalsContact CD2-CB 3.46Å; F37-M40 HydrophobicContact CD2-CG 4.22Å; F37-M40 HydrophobicContact CE1-CB 3.57Å; F37-M40 HydrophobicContact CE1-CE 3.83Å; F37-M40 HydrophobicContact CE1-CG 3.39Å; F37-M40 HydrophobicContact CE1-SD 2.9Å; F37-M40 WeakPolarHBondContact CE1-SD 3.32Å; F37-M40 HydrophobicContact CE2-CB 3.18Å; F37-M40 HydrophobicContact CE2-CG 3.48Å; F37-M40 VanDerWaalsContact CE2-CG 3.48Å; F37-M40 HydrophobicContact CE2-SD 4.19Å; F37-M40 HydrophobicContact CG-CB 3.74Å; F37-M40 HydrophobicContact CG-CG 4.49Å; F37-M40 HydrophobicContact CZ-CB 3.26Å; F37-M40 HydrophobicContact CZ-CE 4.46Å; F37-M40 HydrophobicContact CZ-CG 3.01Å; F37-M40 HydrophobicContact CZ-SD 3.19Å; F37-M40 WeakPolarHBondContact CZ-SD 3.42Å; F37-M40 PolarHBondContact O-N 2.65Å
38Y70.5Confident70.5Confident194 Ų194128.6 Ų128.676%0.76167%0.665SS**THydrogen-bonded Turntrans-55118.7170.4-67.8-87000107P36P36-Y38 PolarHBondContact O-N 3.46Å
39L73.5Confident71.7Confident171 Ų171129.2 Ų129.290%0.89566%0.656SS**THydrogen-bonded Turntrans100.7-12.7-170.7-55171.8000117.1F37 K41F37-L39 PolarHBondContact O-N 3.38Å; L39-K41 PolarHBondContact O-N 2.69Å; L39-K41 VanDerWaalsContact O-N 3.09Å
40M73.6Confident72.9Confident90 Ų90120.1 Ų120.144%0.44363%0.63SS.*  trans-77.5100.7165.4-138.916945.900107.5P36 F37P36-M40 HydrophobicContact CB-CE 4.41Å; F37-M40 HydrophobicContact CD1-CB 3.76Å; F37-M40 HydrophobicContact CD1-CE 4.06Å; F37-M40 HydrophobicContact CD1-CG 4.09Å; F37-M40 HydrophobicContact CD1-SD 3.72Å; F37-M40 HydrophobicContact CD2-CB 3.46Å; F37-M40 VanDerWaalsContact CD2-CB 3.46Å; F37-M40 HydrophobicContact CD2-CG 4.22Å; F37-M40 HydrophobicContact CE1-CB 3.57Å; F37-M40 HydrophobicContact CE1-CE 3.83Å; F37-M40 HydrophobicContact CE1-CG 3.39Å; F37-M40 HydrophobicContact CE1-SD 2.9Å; F37-M40 WeakPolarHBondContact CE1-SD 3.32Å; F37-M40 HydrophobicContact CE2-CB 3.18Å; F37-M40 HydrophobicContact CE2-CG 3.48Å; F37-M40 VanDerWaalsContact CE2-CG 3.48Å; F37-M40 HydrophobicContact CE2-SD 4.19Å; F37-M40 HydrophobicContact CG-CB 3.74Å; F37-M40 HydrophobicContact CG-CG 4.49Å; F37-M40 HydrophobicContact CZ-CB 3.26Å; F37-M40 HydrophobicContact CZ-CE 4.46Å; F37-M40 HydrophobicContact CZ-CG 3.01Å; F37-M40 HydrophobicContact CZ-SD 3.19Å; F37-M40 WeakPolarHBondContact CZ-SD 3.42Å; F37-M40 PolarHBondContact O-N 2.65Å
41K73.9Confident74.3Confident183 Ų183115.8 Ų115.880%0.79664%0.637SS**PPolyproline II helixtrans-65.6144.1164.7-65.7-179179.51790107.8L39L39-K41 PolarHBondContact O-N 2.69Å; L39-K41 VanDerWaalsContact O-N 3.09Å
42N73.5Confident75.8Confident144 Ų144116.6 Ų116.677%0.7765%0.645SS**PPolyproline II helixtrans-50.4146.3167.4-66.524.9000109.1L44N42-L44 PolarHBondContact O-N 3.31Å
43E76.8Confident77.4Confident192 Ų192116.1 Ų116.190%0.89764%0.636SS**PPolyproline II helixtrans-49.8132.9180-62.9-151.8177.600110.8
44L77.2Confident79Confident154 Ų154115.8 Ų115.881%0.80664%0.635SS**PPolyproline II helixtrans-60.5141.8-178.4-71.4163.6000109N42 S46N42-L44 PolarHBondContact O-N 3.31Å; L44-S46 PolarHBondContact O-N 3.02Å
45P80.1Confident80.3Confident102 Ų102114.8 Ų114.866%0.66263%0.63SS**PPolyproline II helixtrans-55.6128.9175.123.5-32.4000109.6N47P45-N47 PolarHBondContact O-N 3.35Å
46S81.2Confident81.8Confident118 Ų118112.1 Ų112.183%0.82562%0.618SS**  trans-65104176.2175.60000109.2L44L44-S46 PolarHBondContact O-N 3.02Å
47N85.1Confident82.9Confident113 Ų113111.7 Ų111.760%0.60462%0.617SS**  trans-78.8130.6170.2-69-55.4000108.8P45 I49P45-N47 PolarHBondContact O-N 3.35Å; N47-I49 PolarHBondContact O-N 2.9Å
48P85.1Confident83.9Confident97 Ų97111.8 Ų111.863%0.6362%0.615SS**SBendtrans-63.8-24.5177.726.5-33.8000111.7
49I89.5Confident85Confident62 Ų62109 Ų10932%0.31860%0.604SS.*  trans-94.1113.4178.2-56.9172.2000108.8N47 M53 L55 Y58 Y59N47-I49 PolarHBondContact O-N 2.9Å; I49-M53 HydrophobicContact CB-CE 4.12Å; I49-M53 HydrophobicContact CG1-CE 3.95Å; I49-M53 HydrophobicContact CG2-CE 4.06Å; I49-L55 HydrophobicContact CG2-CD2 3.49Å; I49-L55 VanDerWaalsContact CG2-CD2 3.49Å; I49-Y58 HydrophobicContact CD1-CD1 4.37Å; I49-Y58 HydrophobicContact CD1-CE1 3.73Å; I49-Y58 HydrophobicContact CG1-CD1 4.32Å; I49-Y58 HydrophobicContact CG1-CE1 3.71Å; I49-Y59 WeakPolarHBondContact CD1-OH 3.5Å
50T88.2Confident85.9Confident72 Ų72103.6 Ų103.644%0.44259%0.59SS.*  trans-107.7153.3173.849.60000110S52 M53T50-S52 PolarHBondContact O-N 3.36Å; T50-S52 VanDerWaalsContact O-N 3.1Å; T50-S52 PolarHBondContact OG1-OG 3.07Å; T50-M53 WeakPolarHBondContact O-CB 3.31Å; T50-M53 PolarHBondContact O-N 3.32Å; T50-M53 VanDerWaalsContact O-N 3.07Å
51G89Confident86.9Confident93 Ų93103.7 Ų103.796%0.95959%0.592SS**THydrogen-bonded Turntrans-63.1-15179.600000114.5
52S91.5Very high87.8Confident113 Ų11397.7 Ų97.779%0.7957%0.568SS**THydrogen-bonded Turntrans-84.3-10175.949.80000114.1T50T50-S52 PolarHBondContact O-N 3.36Å; T50-S52 VanDerWaalsContact O-N 3.1Å; T50-S52 PolarHBondContact OG1-OG 3.07Å
53M92Very high88.5Confident56 Ų5697.8 Ų97.828%0.27656%0.564SS.*SBendtrans-86.9137.2-176.8-169.41656300111.2I49 T50 L55 Y58I49-M53 HydrophobicContact CB-CE 4.12Å; I49-M53 HydrophobicContact CG1-CE 3.95Å; I49-M53 HydrophobicContact CG2-CE 4.06Å; T50-M53 WeakPolarHBondContact O-CB 3.31Å; T50-M53 PolarHBondContact O-N 3.32Å; T50-M53 VanDerWaalsContact O-N 3.07Å; M53-L55 PolarHBondContact O-N 3.18Å; M53-Y58 HydrophobicContact CE-CD1 3.96Å; M53-Y58 HydrophobicContact CE-CD2 3.15Å; M53-Y58 HydrophobicContact CE-CE1 4.3Å; M53-Y58 HydrophobicContact CE-CE2 3.55Å; M53-Y58 HydrophobicContact CE-CG 3.37Å; M53-Y58 HydrophobicContact SD-CD2 3.42Å; M53-Y58 WeakPolarHBondContact SD-CD2 3.36Å; M53-Y58 HydrophobicContact SD-CE2 4.05Å; M53-Y58 HydrophobicContact SD-CG 4.01Å
54N92.4Very high89.1Confident85 Ų8590.5 Ų90.546%0.45554%0.536SS..  trans-68.9106170.4-176.8-1.5000109.7L56 S57 Y58N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 2.96Å; N54-L56 WeakPolarHBondContact OD1-CB 3.4Å; N54-L56 PolarHBondContact OD1-N 2.74Å; N54-S57 PolarHBondContact ND2-OG 3.37Å; N54-S57 PolarHBondContact O-N 2.98Å; N54-Y58 WeakPolarHBondContact O-CB 3.46Å; N54-Y58 PolarHBondContact O-N 3.08Å
55L93.2Very high89.6Confident84 Ų8489.6 Ų89.644%0.4452%0.522SS..Hα-helixtrans-64.4-31.3-179.6-60.2-179.9000112.5I49 M53 S57 Y58 Y59I49-L55 HydrophobicContact CG2-CD2 3.49Å; I49-L55 VanDerWaalsContact CG2-CD2 3.49Å; M53-L55 PolarHBondContact O-N 3.18Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-Y58 PolarHBondContact O-N 3.47Å; L55-Y59 HydrophobicContact CB-CD2 4.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.47Å; L55-Y59 VanDerWaalsContact O-CD2 3.22Å; L55-Y59 WeakPolarHBondContact O-CD2 3.44Å; L55-Y59 PolarHBondContact O-N 3.36Å
56L92.3Very high90.1Very high56 Ų5688.5 Ų88.529%0.29351%0.511SS..Hα-helixtrans-63.2-45.5177.4-82.265000109.9N54 G60 L61 W65N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 2.96Å; N54-L56 WeakPolarHBondContact OD1-CB 3.4Å; N54-L56 PolarHBondContact OD1-N 2.74Å; L56-G60 CarbonylContact O-C 3.27Å; L56-G60 PolarHBondContact O-N 3.13Å; L56-G60 VanDerWaalsContact O-N 3.11Å; L56-L61 PolarHBondContact O-N 3.37Å; L56-W65 HydrophobicContact CD2-CB 3.76Å; L56-W65 HydrophobicContact CD2-CD2 3.82Å; L56-W65 HydrophobicContact CD2-CE3 4.38Å; L56-W65 HydrophobicContact CD2-CG 3.49Å; L56-W65 VanDerWaalsContact CD2-CG 3.49Å
57S91.4Very high90.3Very high62 Ų6288.9 Ų88.943%0.43450%0.498SS..Hα-helixtrans-71.8-38.9177.7-540000112.8N54 L55 Y59 G60 D62N54-S57 PolarHBondContact ND2-OG 3.37Å; N54-S57 PolarHBondContact O-N 2.98Å; L55-S57 VanDerWaalsContact C-N 3.34Å; S57-Y59 VanDerWaalsContact C-N 3.3Å; S57-Y59 PolarHBondContact O-N 2.94Å; S57-G60 PolarHBondContact O-N 3.13Å; S57-G60 VanDerWaalsContact O-N 3.11Å; S57-D62 WeakPolarHBondContact CA-OD2 3.16Å; S57-D62 VanDerWaalsContact CB-OD2 3.26Å; S57-D62 WeakPolarHBondContact CB-OD2 3.49Å; S57-D62 PolarHBondContact N-OD2 3.18Å; S57-D62 PolarHBondContact OG-OD2 3.28Å
58Y92.5Very high90.2Very high106 Ų10688.9 Ų88.942%0.41649%0.493SS..Hα-helixtrans-59.8-39.9177.3-179.3-100.8000112.8I49 M53 N54 L55I49-Y58 HydrophobicContact CD1-CD1 4.37Å; I49-Y58 HydrophobicContact CD1-CE1 3.73Å; I49-Y58 HydrophobicContact CG1-CD1 4.32Å; I49-Y58 HydrophobicContact CG1-CE1 3.71Å; M53-Y58 HydrophobicContact CE-CD1 3.96Å; M53-Y58 HydrophobicContact CE-CD2 3.15Å; M53-Y58 HydrophobicContact CE-CE1 4.3Å; M53-Y58 HydrophobicContact CE-CE2 3.55Å; M53-Y58 HydrophobicContact CE-CG 3.37Å; M53-Y58 HydrophobicContact SD-CD2 3.42Å; M53-Y58 WeakPolarHBondContact SD-CD2 3.36Å; M53-Y58 HydrophobicContact SD-CE2 4.05Å; M53-Y58 HydrophobicContact SD-CG 4.01Å; N54-Y58 WeakPolarHBondContact O-CB 3.46Å; N54-Y58 PolarHBondContact O-N 3.08Å; L55-Y58 PolarHBondContact O-N 3.47Å
59Y93.7Very high90Very high135 Ų13587.2 Ų87.253%0.52948%0.483SS..THydrogen-bonded Turntrans-91.94.8177-67.8-68.4000113.9I49 L55 S57 L61I49-Y59 WeakPolarHBondContact CD1-OH 3.5Å; L55-Y59 HydrophobicContact CB-CD2 4.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.47Å; L55-Y59 VanDerWaalsContact O-CD2 3.22Å; L55-Y59 WeakPolarHBondContact O-CD2 3.44Å; L55-Y59 PolarHBondContact O-N 3.36Å; S57-Y59 VanDerWaalsContact C-N 3.3Å; S57-Y59 PolarHBondContact O-N 2.94Å; Y59-L61 PolarHBondContact O-N 3.06Å
60G92.4Very high89.4Confident59 Ų5988.6 Ų88.661%0.60849%0.491SS*.THydrogen-bonded Turntrans64.224.1-178.700000114.5L56 S57L56-G60 CarbonylContact O-C 3.27Å; L56-G60 PolarHBondContact O-N 3.13Å; L56-G60 VanDerWaalsContact O-N 3.11Å; S57-G60 PolarHBondContact O-N 3.13Å; S57-G60 VanDerWaalsContact O-N 3.11Å
61L94.2Very high88.6Confident92 Ų9290.3 Ų90.348%0.48250%0.497SS..  trans-87.9-3.4-175.8-62.3177000113.9L56 Y59 H63 A64 W65L56-L61 PolarHBondContact O-N 3.37Å; Y59-L61 PolarHBondContact O-N 3.06Å; L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3.21Å; L61-A64 PolarHBondContact O-N 3.41Å; L61-W65 WeakPolarHBondContact O-CB 3.48Å; L61-W65 PolarHBondContact O-N 2.95Å
62D92Very high87.4Confident56 Ų5695.9 Ų95.930%0.29950%0.495SS..Hα-helixtrans-52.8-42.6-178.9-75.5-61000112.9S57 N66S57-D62 WeakPolarHBondContact CA-OD2 3.16Å; S57-D62 VanDerWaalsContact CB-OD2 3.26Å; S57-D62 WeakPolarHBondContact CB-OD2 3.49Å; S57-D62 PolarHBondContact N-OD2 3.18Å; S57-D62 PolarHBondContact OG-OD2 3.28Å; D62-N66 WeakPolarHBondContact O-CB 3.25Å; D62-N66 VanDerWaalsContact O-CG 3.3Å; D62-N66 PolarHBondContact O-N 3.47Å; D62-N66 PolarHBondContact O-ND2 3.04Å
63H89.7Confident86Confident146 Ų146100 Ų10068%0.67650%0.499SS*.Hα-helixtrans-67.7-41178.9-174.6-80000112.1L61 K67L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3.21Å; H63-K67 WeakPolarHBondContact O-CB 3.43Å; H63-K67 PolarHBondContact O-N 2.94Å
64A88.6Confident84.6Confident39 Ų39100.5 Ų100.532%0.32250%0.502SS..Hα-helixtrans-66.5-46.4177.700000111L61 N66 K67 F68L61-A64 PolarHBondContact O-N 3.41Å; A64-N66 PolarHBondContact O-N 3.17Å; A64-K67 PolarHBondContact O-N 3.4Å; A64-F68 HydrophobicContact CB-CD2 4.38Å; A64-F68 WeakPolarHBondContact O-CB 3.49Å; A64-F68 WeakPolarHBondContact O-CD2 3.42Å; A64-F68 PolarHBondContact O-N 3Å
65W88.5Confident83.1Confident135 Ų135104.7 Ų104.751%0.51152%0.516SS..Hα-helixtrans-57-47.9175.3177.8-94.1000111.7L56 L61 K67 F68 C69L56-W65 HydrophobicContact CD2-CB 3.76Å; L56-W65 HydrophobicContact CD2-CD2 3.82Å; L56-W65 HydrophobicContact CD2-CE3 4.38Å; L56-W65 HydrophobicContact CD2-CG 3.49Å; L56-W65 VanDerWaalsContact CD2-CG 3.49Å; L61-W65 WeakPolarHBondContact O-CB 3.48Å; L61-W65 PolarHBondContact O-N 2.95Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.39Å; W65-F68 PolarHBondContact O-N 3.43Å; W65-C69 HydrophobicContact CD2-CB 3.76Å; W65-C69 HydrophobicContact CE3-CB 3.94Å; W65-C69 HydrophobicContact CG-CB 4.31Å; W65-C69 HydrophobicContact CH2-CB 4.12Å; W65-C69 HydrophobicContact CZ2-CB 3.95Å; W65-C69 HydrophobicContact CZ3-CB 4.11Å; W65-C69 VanDerWaalsContact CZ3-SG 3.58Å; W65-C69 WeakPolarHBondContact O-CA 3.47Å; W65-C69 VanDerWaalsContact O-CB 3.23Å; W65-C69 WeakPolarHBondContact O-CB 3.4Å; W65-C69 PolarHBondContact O-N 3.2Å
66N88.9Confident82Confident80 Ų80105.3 Ų105.343%0.42852%0.517SS..Hα-helixtrans-62.6-38.7178.3-76.9-38.2000112.6D62 A64 N70D62-N66 WeakPolarHBondContact O-CB 3.25Å; D62-N66 VanDerWaalsContact O-CG 3.3Å; D62-N66 PolarHBondContact O-N 3.47Å; D62-N66 PolarHBondContact O-ND2 3.04Å; A64-N66 PolarHBondContact O-N 3.17Å; N66-N70 WeakPolarHBondContact O-CB 3.33Å; N66-N70 PolarHBondContact OD1-ND2 2.71Å
67K85.1Confident81Confident126 Ų126106.6 Ų106.655%0.54852%0.521SS..Hα-helixtrans-69.2-43.4178.7-169.8177.7-179-176.90112.4H63 A64 W65H63-K67 WeakPolarHBondContact O-CB 3.43Å; H63-K67 PolarHBondContact O-N 2.94Å; A64-K67 PolarHBondContact O-N 3.4Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.39Å
68F83Confident80.1Confident112 Ų112108.1 Ų108.149%0.49152%0.524SS..Hα-helixtrans-100.5-16.7-168.9-64.2-67.2000115.4A64 W65 L74A64-F68 HydrophobicContact CB-CD2 4.38Å; A64-F68 WeakPolarHBondContact O-CB 3.49Å; A64-F68 WeakPolarHBondContact O-CD2 3.42Å; A64-F68 PolarHBondContact O-N 3Å; W65-F68 PolarHBondContact O-N 3.43Å; F68-L74 HydrophobicContact CB-CD1 4.3Å; F68-L74 HydrophobicContact CD1-CD1 4.4Å; F68-L74 WeakPolarHBondContact O-CD1 3.1Å
69C82Confident79.3Confident62 Ų62104.9 Ų104.942%0.41952%0.517SS..Hα-helixtrans-117.3-30-175.3-59.30000113.3W65 N71W65-C69 HydrophobicContact CD2-CB 3.76Å; W65-C69 HydrophobicContact CE3-CB 3.94Å; W65-C69 HydrophobicContact CG-CB 4.31Å; W65-C69 HydrophobicContact CH2-CB 4.12Å; W65-C69 HydrophobicContact CZ2-CB 3.95Å; W65-C69 HydrophobicContact CZ3-CB 4.11Å; W65-C69 VanDerWaalsContact CZ3-SG 3.58Å; W65-C69 WeakPolarHBondContact O-CA 3.47Å; W65-C69 VanDerWaalsContact O-CB 3.23Å; W65-C69 WeakPolarHBondContact O-CB 3.4Å; W65-C69 PolarHBondContact O-N 3.2Å; C69-N71 VanDerWaalsContact C-N 3.31Å; C69-N71 PolarHBondContact O-N 3.28Å
70N77.3Confident78.5Confident92 Ų92101.3 Ų101.349%0.49252%0.516SS..SBendtrans-73.3-25.3177.7-68.17.4000112.6N66 K72N66-N70 WeakPolarHBondContact O-CB 3.33Å; N66-N70 PolarHBondContact OD1-ND2 2.71Å; N70-K72 PolarHBondContact O-N 3.14Å
71N70.7Confident77.9Confident108 Ų108104.7 Ų104.758%0.57851%0.514SS*.  trans-82.795.6174.8-82.2-25.2000110.5C69 K73 L74C69-N71 VanDerWaalsContact C-N 3.31Å; C69-N71 PolarHBondContact O-N 3.28Å; N71-K73 PolarHBondContact O-N 2.85Å; N71-L74 HydrophobicContact CB-CD1 4.03Å; N71-L74 HydrophobicContact CB-CG 4.22Å; N71-L74 PolarHBondContact O-N 3.36Å
72K63.7Low77.2Confident209 Ų209104.2 Ų104.291%0.90951%0.51SS*.THydrogen-bonded Turntrans-55.91.4180-62-177.4-179.9-178.50116N70N70-K72 PolarHBondContact O-N 3.14Å
73K63.3Low76.5Confident200 Ų200106.7 Ų106.787%0.8753%0.529SS*.THydrogen-bonded Turntrans-123.620.6-173.4-65.1-172.4179.4179.40114.1N71 K75N71-K73 PolarHBondContact O-N 2.85Å; K73-K75 PolarHBondContact O-N 3.44Å
74L61.6Low76.1Confident67 Ų67107.2 Ų107.235%0.35154%0.537SS..  trans-74.979.2176.1-76.8162.4000111.3F68 N71 E76F68-L74 HydrophobicContact CB-CD1 4.3Å; F68-L74 HydrophobicContact CD1-CD1 4.4Å; F68-L74 WeakPolarHBondContact O-CD1 3.1Å; N71-L74 HydrophobicContact CB-CD1 4.03Å; N71-L74 HydrophobicContact CB-CG 4.22Å; N71-L74 PolarHBondContact O-N 3.36Å; L74-E76 HydrophobicContact CD2-CG 3.76Å; L74-E76 WeakPolarHBondContact CD2-OE1 3.4Å
75K61.4Low75.6Confident172 Ų172109.5 Ų109.575%0.74854%0.543SS*.  trans-111.167.9154.9-166.3-179178.9-173.40106.3K73 E77K73-K75 PolarHBondContact O-N 3.44Å; K75-E77 PolarHBondContact O-N 3.49Å; K75-E77 VanDerWaalsContact O-N 3.1Å
76E69Low75.1Confident97 Ų97109 Ų10945%0.45356%0.557SS.*  trans-71.1101.8172.1-71.3178.1174.200107.2L74 A80 F81L74-E76 HydrophobicContact CD2-CG 3.76Å; L74-E76 WeakPolarHBondContact CD2-OE1 3.4Å; E76-A80 HydrophobicContact CB-CB 4.31Å; E76-F81 HydrophobicContact CB-CE2 3.86Å; E76-F81 HydrophobicContact CB-CZ 4.15Å; E76-F81 WeakPolarHBondContact OE2-CZ 3.39Å
77E71.2Confident74.2Confident83 Ų83108 Ų10839%0.38857%0.566SS.*  trans-60.2150.7163.9-73.2178.617800108.5K75 S79 A80 D90K75-E77 PolarHBondContact O-N 3.49Å; K75-E77 VanDerWaalsContact O-N 3.1Å; E77-S79 VanDerWaalsContact CB-OG 3.26Å; E77-S79 WeakPolarHBondContact CB-OG 3.47Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S79 VanDerWaalsContact O-N 3.12Å; E77-A80 WeakPolarHBondContact O-CB 3.18Å; E77-A80 PolarHBondContact O-N 3.2Å; E77-D90 WeakPolarHBondContact CB-OD1 3.32Å
78L73.6Confident73.5Confident94 Ų94107.9 Ų107.949%0.49257%0.572SS.*Hα-helixtrans-56.8-30.7179-175.862.3000110.7A80 F81 I89 D90L78-A80 PolarHBondContact O-N 2.77Å; L78-F81 HydrophobicContact CD1-CD2 4.41Å; L78-F81 PolarHBondContact O-N 2.82Å; L78-I89 HydrophobicContact CD2-CG2 3.82Å; L78-I89 HydrophobicContact CG-CG2 4.26Å; L78-D90 WeakPolarHBondContact CA-OD1 2.95Å; L78-D90 VanDerWaalsContact CB-OD1 3.3Å; L78-D90 WeakPolarHBondContact CB-OD1 3.5Å; L78-D90 PolarHBondContact N-OD1 2.84Å
79S74.8Confident73Confident38 Ų38104.6 Ų104.627%0.26656%0.558SS.*Hα-helixtrans-54.2-30.9169.654.70000114.3E77 F81 M82 D90E77-S79 VanDerWaalsContact CB-OG 3.26Å; E77-S79 WeakPolarHBondContact CB-OG 3.47Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S79 VanDerWaalsContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.27Å; S79-F81 PolarHBondContact O-N 3.07Å; S79-M82 CarbonylContact O-C 3.33Å; S79-M82 PolarHBondContact O-N 3.06Å; S79-M82 VanDerWaalsContact O-N 3.15Å; S79-D90 VanDerWaalsContact CB-OD2 3.28Å; S79-D90 WeakPolarHBondContact CB-OD2 3.26Å; S79-D90 PolarHBondContact N-OD1 3.33Å; S79-D90 PolarHBondContact OG-OD2 2.93Å
80A77Confident72.4Confident60 Ų60104.3 Ų104.350%0.49655%0.553SS.*Hα-helixtrans-66.4-28176.100000112.9E76 E77 L78 M82E76-A80 HydrophobicContact CB-CB 4.31Å; E77-A80 WeakPolarHBondContact O-CB 3.18Å; E77-A80 PolarHBondContact O-N 3.2Å; L78-A80 PolarHBondContact O-N 2.77Å; A80-M82 VanDerWaalsContact C-N 3.35Å
81F79.5Confident71.8Confident130 Ų130103.1 Ų103.157%0.5756%0.556SS**Hα-helixtrans-81.9-14.7175.8-62.3-84.9000113E76 L78 S79 P83E76-F81 HydrophobicContact CB-CE2 3.86Å; E76-F81 HydrophobicContact CB-CZ 4.15Å; E76-F81 WeakPolarHBondContact OE2-CZ 3.39Å; L78-F81 HydrophobicContact CD1-CD2 4.41Å; L78-F81 PolarHBondContact O-N 2.82Å; S79-F81 VanDerWaalsContact C-N 3.27Å; S79-F81 PolarHBondContact O-N 3.07Å; F81-P83 VanDerWaalsContact C-CD 3.45Å
82M79.8Confident71.7Confident83 Ų83102.3 Ų102.341%0.40956%0.564SS.*  trans-128.761.8-178.1-60-165.177.200111.5S79 A80 N84 L85 I89S79-M82 CarbonylContact O-C 3.33Å; S79-M82 PolarHBondContact O-N 3.06Å; S79-M82 VanDerWaalsContact O-N 3.15Å; A80-M82 VanDerWaalsContact C-N 3.35Å; M82-N84 PolarHBondContact O-N 3.05Å; M82-L85 HydrophobicContact CB-CB 4.04Å; M82-L85 HydrophobicContact CE-CB 4.12Å; M82-L85 HydrophobicContact CE-CD1 4.4Å; M82-L85 HydrophobicContact CE-CD2 3.78Å; M82-L85 HydrophobicContact CE-CG 4.31Å; M82-L85 PolarHBondContact O-N 2.85Å; M82-L85 VanDerWaalsContact O-N 3.09Å; M82-L85 HydrophobicContact SD-CD2 4.1Å; M82-I89 HydrophobicContact CB-CD1 3.75Å; M82-I89 HydrophobicContact CG-CD1 4.39Å; M82-I89 HydrophobicContact SD-CD1 4.11Å
83P77.1Confident71.6Confident107 Ų10795.6 Ų95.670%0.69555%0.554SS**THydrogen-bonded Turntrans-61.7-21.7-175.225.8-35.5000113.6F81F81-P83 VanDerWaalsContact C-CD 3.45Å
84N81.8Confident72.1Confident157 Ų15790.2 Ų90.284%0.8454%0.542SS*.THydrogen-bonded Turntrans-95.2-3-177.2-60.5-38.2000113.8M82 P86M82-N84 PolarHBondContact O-N 3.05Å; N84-P86 WeakPolarHBondContact O-CD 3.19Å
85L79Confident72.9Confident88 Ų8892.1 Ų92.146%0.46155%0.552SS.*  trans-97.1115.7-177.5-16379.8000110.2M82 G87 I89M82-L85 HydrophobicContact CB-CB 4.04Å; M82-L85 HydrophobicContact CE-CB 4.12Å; M82-L85 HydrophobicContact CE-CD1 4.4Å; M82-L85 HydrophobicContact CE-CD2 3.78Å; M82-L85 HydrophobicContact CE-CG 4.31Å; M82-L85 PolarHBondContact O-N 2.85Å; M82-L85 VanDerWaalsContact O-N 3.09Å; M82-L85 HydrophobicContact SD-CD2 4.1Å; L85-G87 PolarHBondContact O-N 3.15Å; L85-I89 HydrophobicContact CB-CD1 3.91Å; L85-I89 HydrophobicContact CD2-CD1 3.59Å; L85-I89 HydrophobicContact CD2-CG1 4.11Å; L85-I89 HydrophobicContact CG-CD1 4.23Å
86P77.4Confident73.7Confident124 Ų12493.2 Ų93.281%0.80555%0.551SS**  trans-71.6125.2174.229-32.8000110N84N84-P86 WeakPolarHBondContact O-CD 3.19Å
87G70.7Confident74.2Confident59 Ų5995.3 Ų95.361%0.60856%0.561SS**SBendtrans146.9161.517500000112.7L85 I89L85-G87 PolarHBondContact O-N 3.15Å; G87-I89 PolarHBondContact O-N 3.22Å
88N69.2Low74.6Confident124 Ų12495.9 Ų95.966%0.66357%0.566SS**  trans-85.894.1169.7-176.328.1000108.6D90N88-D90 VanDerWaalsContact C-N 3.32Å
89I72.9Confident75Confident42 Ų4297.1 Ų97.122%0.21557%0.572CS.*  trans-86.1-12.8-175.1-38.4167.3000110.8L78 M82 L85 G87 A91L78-I89 HydrophobicContact CD2-CG2 3.82Å; L78-I89 HydrophobicContact CG-CG2 4.26Å; M82-I89 HydrophobicContact CB-CD1 3.75Å; M82-I89 HydrophobicContact CG-CD1 4.39Å; M82-I89 HydrophobicContact SD-CD1 4.11Å; L85-I89 HydrophobicContact CB-CD1 3.91Å; L85-I89 HydrophobicContact CD2-CD1 3.59Å; L85-I89 HydrophobicContact CD2-CG1 4.11Å; L85-I89 HydrophobicContact CG-CD1 4.23Å; G87-I89 PolarHBondContact O-N 3.22Å; I89-A91 PolarHBondContact O-N 3.32Å
90D69.3Low75.3Confident57 Ų57102 Ų10231%0.30559%0.591SS.*  trans-76.16.1-173.1-59.5-49.4000113.8E77 L78 S79 N88 A92E77-D90 WeakPolarHBondContact CB-OD1 3.32Å; L78-D90 WeakPolarHBondContact CA-OD1 2.95Å; L78-D90 VanDerWaalsContact CB-OD1 3.3Å; L78-D90 WeakPolarHBondContact CB-OD1 3.5Å; L78-D90 PolarHBondContact N-OD1 2.84Å; S79-D90 VanDerWaalsContact CB-OD2 3.28Å; S79-D90 WeakPolarHBondContact CB-OD2 3.26Å; S79-D90 PolarHBondContact N-OD1 3.33Å; S79-D90 PolarHBondContact OG-OD2 2.93Å; N88-D90 VanDerWaalsContact C-N 3.32Å; D90-A92 PolarHBondContact O-N 2.96Å
91A65.9Low75.4Confident67 Ų67107.1 Ų107.155%0.55460%0.602SS**SBendtrans-89.9102.7178.300000112.1I89I89-A91 PolarHBondContact O-N 3.32Å
92A67.4Low75.2Confident90 Ų90105.2 Ų105.274%0.74460%0.603SS**  trans13.3119.9162.700000120D90D90-A92 PolarHBondContact O-N 2.96Å
93G61.1Low74.8Confident69 Ų69105.1 Ų105.171%0.71161%0.608SS**  trans-79.9124.1178.800000115L95G93-L95 PolarHBondContact O-N 3.09Å
94S74.1Confident74.4Confident87 Ų87108.6 Ų108.661%0.60862%0.619SS**THydrogen-bonded Turntrans-69.6-3.1168.154.60000113.8R96 Q97 L98S94-R96 PolarHBondContact O-N 3.15Å; S94-Q97 WeakPolarHBondContact O-CB 3.28Å; S94-Q97 PolarHBondContact O-N 3.41Å; S94-L98 PolarHBondContact O-N 2.97Å
95L78.5Confident73.3Confident107 Ų107105.2 Ų105.256%0.5661%0.607SS**Hα-helixtrans-59.8-33.1-173.3-17066000112.9G93 Q97 L98 I99G93-L95 PolarHBondContact O-N 3.09Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.29Å; L95-L98 HydrophobicContact CD1-CB 4.47Å; L95-L98 HydrophobicContact CD1-CD2 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.3Å; L95-L98 PolarHBondContact O-N 3.11Å; L95-L98 VanDerWaalsContact O-N 3.11Å; L95-I99 HydrophobicContact CD2-CD1 4.42Å; L95-I99 HydrophobicContact CG-CD1 4.01Å; L95-I99 HydrophobicContact CG-CG1 4.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 3.42Å
96R78.7Confident72.3Confident195 Ų195104.5 Ų104.574%0.73662%0.621SS**Hα-helixtrans-57.1-42.1174.4-74-174.9-179.5-100.60.9112S94 L98 I99 E100S94-R96 PolarHBondContact O-N 3.15Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.37Å; R96-I99 PolarHBondContact O-N 3.39Å; R96-E100 WeakPolarHBondContact O-CB 3.4Å; R96-E100 VanDerWaalsContact O-CG 3.31Å; R96-E100 WeakPolarHBondContact O-CG 3.42Å; R96-E100 PolarHBondContact O-N 2.85Å
97Q79.3Confident71.4Confident140 Ų140107.1 Ų107.165%0.65462%0.62SS**Hα-helixtrans-66.9-35.7178-63.7177.8-9.900111.8S94 L95 K101S94-Q97 WeakPolarHBondContact O-CB 3.28Å; S94-Q97 PolarHBondContact O-N 3.41Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.29Å; Q97-K101 PolarHBondContact O-N 3.46Å
98L79.9Confident71.3Confident95 Ų95112.4 Ų112.450%0.49763%0.629SS.*Hα-helixtrans-69.7-34.2176.3-165.572.4000112.1S94 L95 R96 K101 P102 P103S94-L98 PolarHBondContact O-N 2.97Å; L95-L98 HydrophobicContact CD1-CB 4.47Å; L95-L98 HydrophobicContact CD1-CD2 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.3Å; L95-L98 PolarHBondContact O-N 3.11Å; L95-L98 VanDerWaalsContact O-N 3.11Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.37Å; L98-K101 CarbonylContact O-C 3.56Å; L98-K101 VanDerWaalsContact O-C 3.27Å; L98-P102 VanDerWaalsContact O-CA 3.25Å; L98-P102 WeakPolarHBondContact O-CA 3.32Å; L98-P103 HydrophobicContact CD1-CG 4.1Å
99I81.2Confident71.4Confident120 Ų120114 Ų11462%0.61564%0.635SS**Hα-helixtrans-71.9-45.6175.2-66.8164.8000110.6L95 R96 K101L95-I99 HydrophobicContact CD2-CD1 4.42Å; L95-I99 HydrophobicContact CG-CD1 4.01Å; L95-I99 HydrophobicContact CG-CG1 4.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 3.42Å; R96-I99 PolarHBondContact O-N 3.39Å; I99-K101 VanDerWaalsContact C-N 3.34Å
100E82.4Confident71.4Confident141 Ų141118.1 Ų118.166%0.65966%0.657SS**Hα-helixtrans-66.4-36.9-179.9-75.2171.3-168.300112.4R96R96-E100 WeakPolarHBondContact O-CB 3.4Å; R96-E100 VanDerWaalsContact O-CG 3.31Å; R96-E100 WeakPolarHBondContact O-CG 3.42Å; R96-E100 PolarHBondContact O-N 2.85Å
101K79.4Confident71.7Confident167 Ų167120.9 Ų120.973%0.72668%0.678SS**SBendtrans-127.180.9177.7-65-178.1-177.2-179.50107.5Q97 L98 I99Q97-K101 PolarHBondContact O-N 3.46Å; L98-K101 CarbonylContact O-C 3.56Å; L98-K101 VanDerWaalsContact O-C 3.27Å; I99-K101 VanDerWaalsContact C-N 3.34Å
102P74.7Confident72.1Confident91 Ų91122.8 Ų122.859%0.59168%0.679SS**  trans-54.6131.8172.124.4-32.3000106.8L98 I104L98-P102 VanDerWaalsContact O-CA 3.25Å; L98-P102 WeakPolarHBondContact O-CA 3.32Å; P102-I104 PolarHBondContact O-N 3.35Å
103P69.9Low72.8Confident81 Ų81120.1 Ų120.153%0.52666%0.66SS.*  trans-53.2139.2173.324.1-31.1000106.6L98 C105L98-P103 HydrophobicContact CD1-CG 4.1Å; P103-C105 WeakPolarHBondContact O-CB 3.45Å; P103-C105 PolarHBondContact O-N 3.1Å
104I68.7Low73.5Confident179 Ų179121.6 Ų121.692%0.91866%0.659SS**  trans-66.179.3-178.8-55.8167.8000107P102 G106P102-I104 PolarHBondContact O-N 3.35Å; I104-G106 PolarHBondContact O-N 2.81Å
105C59.3Low73.8Confident86 Ų86121.4 Ų121.458%0.58166%0.663SS**  trans-97.274.4-169.4-159.40000106.4P103 K107P103-C105 WeakPolarHBondContact O-CB 3.45Å; P103-C105 PolarHBondContact O-N 3.1Å; C105-K107 VanDerWaalsContact C-N 3.3Å; C105-K107 PolarHBondContact SG-O 3.27Å
106G59.3Low73.9Confident74 Ų74121.9 Ų121.976%0.76366%0.662SS**SBendtrans-86.7-3.5169.500000112.9I104I104-G106 PolarHBondContact O-N 2.81Å
107K58Low74Confident179 Ų179115.1 Ų115.178%0.77864%0.642SS**SBendtrans-144.6129.3-179.5-57.2-179.5-174.9-178.30106.9C105C105-K107 VanDerWaalsContact C-N 3.3Å; C105-K107 PolarHBondContact SG-O 3.27Å
108E68.9Low74Confident170 Ų170112.3 Ų112.379%0.79464%0.635SS**  trans-34.9144.9169.1-171.3176.8-171.600111.8L110E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.12Å
109I70.8Confident73.8Confident156 Ų156111.4 Ų111.480%0.865%0.648SS**  trans-60.997.5173.4-58.6172.1000106.6
110L73.3Confident73.8Confident129 Ų129112.8 Ų112.868%0.67565%0.65SS**PPolyproline II helixtrans-60125.2179.3-74.1167.9000107.5E108 L112E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.12Å; L110-L112 PolarHBondContact O-N 2.85Å; L110-L112 VanDerWaalsContact O-N 3.17Å
111P74.4Confident73.8Confident115 Ų115114.8 Ų114.875%0.74765%0.652SS**PPolyproline II helixtrans-59.7124.8176.824.3-32000108.2G113P111-G113 PolarHBondContact O-N 3Å
112L75.8Confident73.6Confident108 Ų108114.6 Ų114.657%0.56566%0.658SS**PPolyproline II helixtrans-61.4129.8-179.9-65.7173.4000109.7L110 E116 T117L110-L112 PolarHBondContact O-N 2.85Å; L110-L112 VanDerWaalsContact O-N 3.17Å; L112-E116 WeakPolarHBondContact CA-OE2 3.34Å; L112-E116 HydrophobicContact CB-CB 4.28Å; L112-E116 WeakPolarHBondContact CB-OE2 3.25Å; L112-E116 HydrophobicContact CD2-CB 4.43Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.46Å; L112-T117 HydrophobicContact CB-CG2 4.47Å
113G80.3Confident73.7Confident34 Ų34118 Ų11835%0.35167%0.67SS.*PPolyproline II helixtrans-68.5159.8179.700000112P111 A115 E116 T117P111-G113 PolarHBondContact O-N 3Å; G113-A115 PolarHBondContact O-N 3.19Å; G113-A115 VanDerWaalsContact O-N 3.11Å; G113-E116 PolarHBondContact N-OE2 2.72Å; G113-E116 PolarHBondContact O-N 2.86Å; G113-T117 PolarHBondContact O-N 2.98Å; G113-T117 VanDerWaalsContact O-N 3.15Å
114S77.4Confident73.6Confident100 Ų100120.5 Ų120.570%0.69969%0.686SS**THydrogen-bonded Turntrans-54.9-33.6178.858.20000113T117 V118S114-T117 PolarHBondContact O-N 3.33Å; S114-T117 PolarHBondContact O-OG1 3.45Å; S114-V118 WeakPolarHBondContact O-CG2 3.13Å
115A80Confident73.7Confident82 Ų82115 Ų11568%0.67867%0.673SS**THydrogen-bonded Turntrans-64.2-37.4174.700000113.4G113 V118G113-A115 PolarHBondContact O-N 3.19Å; G113-A115 VanDerWaalsContact O-N 3.11Å; A115-V118 WeakPolarHBondContact O-CB 3.13Å; A115-V118 WeakPolarHBondContact O-CG2 3.45Å; A115-V118 PolarHBondContact O-N 2.87Å
116E80.3Confident74.2Confident117 Ų117116.3 Ų116.355%0.54768%0.684SS.*G310 helixtrans-75.3-30.8178.9-62.1171.9149.700111L112 G113 V118L112-E116 WeakPolarHBondContact CA-OE2 3.34Å; L112-E116 HydrophobicContact CB-CB 4.28Å; L112-E116 WeakPolarHBondContact CB-OE2 3.25Å; L112-E116 HydrophobicContact CD2-CB 4.43Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.46Å; G113-E116 PolarHBondContact N-OE2 2.72Å; G113-E116 PolarHBondContact O-N 2.86Å; E116-V118 PolarHBondContact O-N 3.32Å
117T81.1Confident74.5Confident53 Ų53117 Ų11733%0.32567%0.673SS.*G310 helixtrans-71.2-10.9176680000114.1L112 G113 S114 G119 F120L112-T117 HydrophobicContact CB-CG2 4.47Å; G113-T117 PolarHBondContact O-N 2.98Å; G113-T117 VanDerWaalsContact O-N 3.15Å; S114-T117 PolarHBondContact O-N 3.33Å; S114-T117 PolarHBondContact O-OG1 3.45Å; T117-G119 PolarHBondContact O-N 2.99Å; T117-F120 WeakPolarHBondContact O-CB 3.46Å; T117-F120 PolarHBondContact O-N 2.86Å
118V78.6Confident74.8Confident81 Ų81111 Ų11149%0.49165%0.654SS.*G310 helixtrans-60-34.1179.1178.20000111.3S114 A115 E116 F120 R121S114-V118 WeakPolarHBondContact O-CG2 3.13Å; A115-V118 WeakPolarHBondContact O-CB 3.13Å; A115-V118 WeakPolarHBondContact O-CG2 3.45Å; A115-V118 PolarHBondContact O-N 2.87Å; E116-V118 PolarHBondContact O-N 3.32Å; V118-F120 PolarHBondContact O-N 2.87Å; V118-R121 WeakPolarHBondContact O-CB 3.22Å; V118-R121 PolarHBondContact O-N 3.33Å; V118-R121 VanDerWaalsContact O-N 3.09Å
119G76.2Confident74.4Confident76 Ų76109.9 Ų109.978%0.78465%0.653SS**G310 helixtrans-64.6-16.4176.400000114.7T117T117-G119 PolarHBondContact O-N 2.99Å
120F81.9Confident73.9Confident149 Ų149106.8 Ų106.865%0.65463%0.634SS**G310 helixtrans-89.9-4.8176.3-62.2-93.9000113.1T117 V118 L122T117-F120 WeakPolarHBondContact O-CB 3.46Å; T117-F120 PolarHBondContact O-N 2.86Å; V118-F120 PolarHBondContact O-N 2.87Å; F120-L122 PolarHBondContact O-N 3.21Å
121R81.2Confident73.5Confident184 Ų184105.3 Ų105.369%0.69463%0.627SS**  trans-73.799.4178-64.5-178.6-178.4-83.2-2.2109.5V118V118-R121 WeakPolarHBondContact O-CB 3.22Å; V118-R121 PolarHBondContact O-N 3.33Å; V118-R121 VanDerWaalsContact O-N 3.09Å
122L75.9Confident72.9Confident163 Ų163101.3 Ų101.385%0.85360%0.601SS**PPolyproline II helixtrans-72.9128.2173.5-60.2177.3000109.6F120F120-L122 PolarHBondContact O-N 3.21Å
123L75.7Confident72Confident161 Ų16198.4 Ų98.484%0.84359%0.589SS**PPolyproline II helixtrans-70.6136.8168.5-67.2172.3000108.9G125L123-G125 PolarHBondContact O-N 3.46Å; L123-G125 VanDerWaalsContact O-N 3.08Å
124P69.3Low71.3Confident134 Ų134100.2 Ų100.287%0.8759%0.59SS**SBendtrans-62.3116.9175.525.5-32.2000109.3
125G71.1Confident70.9Confident63 Ų63101.6 Ų101.665%0.64959%0.585SS**  trans-168148.6179.200000110.1L123 V127L123-G125 PolarHBondContact O-N 3.46Å; L123-G125 VanDerWaalsContact O-N 3.08Å; G125-V127 PolarHBondContact O-N 3.44Å
126S69.3Low70.2Confident115 Ų115106 Ų10680%0.80458%0.584SS**  trans-59.6125.2170.7600000107.9S128S126-S128 PolarHBondContact O-N 2.84Å
127V65Low69.4Low88 Ų88103.7 Ų103.753%0.53358%0.576SS.*  trans-54.1109.5169.3-177.10000106.2G125 L131G125-V127 PolarHBondContact O-N 3.44Å; V127-L131 HydrophobicContact CG1-CB 3.47Å; V127-L131 VanDerWaalsContact CG1-CB 3.47Å
128S63.6Low68.6Low54 Ų54108 Ų10838%0.37859%0.59SS.*  trans-55148-176.561.20000108.9S126 F130 L131 S132S126-S128 PolarHBondContact O-N 2.84Å; S128-F130 CarbonylContact O-C 3.55Å; S128-F130 PolarHBondContact O-N 3.26Å; S128-L131 PolarHBondContact O-N 3.04Å; S128-S132 PolarHBondContact O-N 3.44Å
129D61Low68Low145 Ų145107.7 Ų107.778%0.77559%0.589SS**Hα-helixtrans-48.5-29.6178.9-74.7-35.4000111.7C133D129-C133 WeakPolarHBondContact O-CB 3.41Å; D129-C133 PolarHBondContact O-N 3.41Å
130F61.5Low67.3Low92 Ų92105.6 Ų105.640%0.40456%0.564SS.*Hα-helixtrans-66.7-50.1174.3-174.3-109000113.9S128 S132 C133 I134S128-F130 CarbonylContact O-C 3.55Å; S128-F130 PolarHBondContact O-N 3.26Å; F130-S132 VanDerWaalsContact C-N 3.33Å; F130-C133 CarbonylContact O-C 3.56Å; F130-C133 WeakPolarHBondContact O-CB 3.47Å; F130-C133 PolarHBondContact O-N 2.81Å; F130-C133 VanDerWaalsContact O-N 3.16Å; F130-I134 HydrophobicContact CD1-CD1 3.7Å; F130-I134 HydrophobicContact CE1-CD1 3.2Å; F130-I134 HydrophobicContact CE1-CG1 4.25Å; F130-I134 HydrophobicContact CE2-CD1 4.2Å; F130-I134 HydrophobicContact CG-CD1 4.4Å; F130-I134 HydrophobicContact CZ-CD1 3.49Å; F130-I134 VanDerWaalsContact CZ-CD1 3.49Å; F130-I134 HydrophobicContact CZ-CG1 4.23Å; F130-I134 WeakPolarHBondContact O-CG1 3.09Å; F130-I134 PolarHBondContact O-N 3.16Å
131L63.3Low66.3Low98 Ų98106.3 Ų106.351%0.51357%0.567SS.*Hα-helixtrans-66.9-37.1176.9-76.6168.8000111.4V127 S128 C133 I134 Q135V127-L131 HydrophobicContact CG1-CB 3.47Å; V127-L131 VanDerWaalsContact CG1-CB 3.47Å; S128-L131 PolarHBondContact O-N 3.04Å; L131-C133 VanDerWaalsContact C-N 3.29Å; L131-C133 PolarHBondContact O-N 2.79Å; L131-I134 PolarHBondContact O-N 3.12Å; L131-Q135 WeakPolarHBondContact O-CB 3.36Å; L131-Q135 PolarHBondContact O-N 2.76Å
132S62.9Low65.4Low30 Ų30103.9 Ų103.921%0.2156%0.564CS.*Hα-helixtrans-62.4-39.4171.3-176.40000111.3S128 F130 R136S128-S132 PolarHBondContact O-N 3.44Å; F130-S132 VanDerWaalsContact C-N 3.33Å; S132-R136 WeakPolarHBondContact O-CB 3.32Å; S132-R136 WeakPolarHBondContact O-CG 3.34Å; S132-R136 PolarHBondContact O-N 3.36Å; S132-R136 PolarHBondContact OG-NH1 3.43Å
133C57.5Low64.5Low47 Ų4797.3 Ų97.332%0.31853%0.529SS..Hα-helixtrans-67.9-41.7175.8-164.70000111.7D129 F130 L131 R136 L137D129-C133 WeakPolarHBondContact O-CB 3.41Å; D129-C133 PolarHBondContact O-N 3.41Å; F130-C133 CarbonylContact O-C 3.56Å; F130-C133 WeakPolarHBondContact O-CB 3.47Å; F130-C133 PolarHBondContact O-N 2.81Å; F130-C133 VanDerWaalsContact O-N 3.16Å; L131-C133 VanDerWaalsContact C-N 3.29Å; L131-C133 PolarHBondContact O-N 2.79Å; C133-R136 PolarHBondContact O-N 3.49Å; C133-L137 VanDerWaalsContact O-CB 3.32Å; C133-L137 WeakPolarHBondContact O-CB 3.38Å; C133-L137 VanDerWaalsContact O-CG 3.22Å; C133-L137 WeakPolarHBondContact O-CG 2.96Å; C133-L137 PolarHBondContact O-N 3.45Å
134I65.6Low63.4Low73 Ų7392.9 Ų92.937%0.37451%0.51SS..Hα-helixtrans-63.2-45.2175.1-71.3171.9000110.7F130 L131 R136 L137 F138F130-I134 HydrophobicContact CD1-CD1 3.7Å; F130-I134 HydrophobicContact CE1-CD1 3.2Å; F130-I134 HydrophobicContact CE1-CG1 4.25Å; F130-I134 HydrophobicContact CE2-CD1 4.2Å; F130-I134 HydrophobicContact CG-CD1 4.4Å; F130-I134 HydrophobicContact CZ-CD1 3.49Å; F130-I134 VanDerWaalsContact CZ-CD1 3.49Å; F130-I134 HydrophobicContact CZ-CG1 4.23Å; F130-I134 WeakPolarHBondContact O-CG1 3.09Å; F130-I134 PolarHBondContact O-N 3.16Å; L131-I134 PolarHBondContact O-N 3.12Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 2.79Å; I134-L137 CarbonylContact O-C 3.57Å; I134-L137 WeakPolarHBondContact O-CB 2.84Å; I134-L137 PolarHBondContact O-N 2.94Å; I134-L137 VanDerWaalsContact O-N 3.12Å; I134-F138 WeakPolarHBondContact O-CB 3.08Å; I134-F138 PolarHBondContact O-N 3.21Å
135Q67.1Low62.9Low128 Ų12894.4 Ų94.460%0.59851%0.505SS*.Hα-helixtrans-62.7-41.9178.1-169169.910.200111.1L131 F138 V139L131-Q135 WeakPolarHBondContact O-CB 3.36Å; L131-Q135 PolarHBondContact O-N 2.76Å; Q135-F138 PolarHBondContact O-N 2.93Å; Q135-V139 VanDerWaalsContact O-CG2 3.32Å; Q135-V139 WeakPolarHBondContact O-CG2 3.45Å; Q135-V139 PolarHBondContact O-N 3.02Å
136R66.6Low62Low174 Ų174100.2 Ų100.266%0.65752%0.515SS*.Hα-helixtrans-63.6-38.5171.7-76.1-176-177.3116.71112.7S132 C133 I134 A140S132-R136 WeakPolarHBondContact O-CB 3.32Å; S132-R136 WeakPolarHBondContact O-CG 3.34Å; S132-R136 PolarHBondContact O-N 3.36Å; S132-R136 PolarHBondContact OG-NH1 3.43Å; C133-R136 PolarHBondContact O-N 3.49Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 2.79Å; R136-A140 WeakPolarHBondContact O-CB 3.44Å; R136-A140 PolarHBondContact O-N 3.09Å
137L63.6Low61.2Low70 Ų7099.7 Ų99.737%0.36650%0.497SS..Hα-helixtrans-66.1-42.3176.7-79.8163.7000111C133 I134 A140 F141C133-L137 VanDerWaalsContact O-CB 3.32Å; C133-L137 WeakPolarHBondContact O-CB 3.38Å; C133-L137 VanDerWaalsContact O-CG 3.22Å; C133-L137 WeakPolarHBondContact O-CG 2.96Å; C133-L137 PolarHBondContact O-N 3.45Å; I134-L137 CarbonylContact O-C 3.57Å; I134-L137 WeakPolarHBondContact O-CB 2.84Å; I134-L137 PolarHBondContact O-N 2.94Å; I134-L137 VanDerWaalsContact O-N 3.12Å; L137-A140 CarbonylContact O-C 3.57Å; L137-A140 PolarHBondContact O-N 3.05Å; L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.06Å
138F63.6Low60.5Low142 Ų142102 Ų10262%0.62350%0.496SS*.Hα-helixtrans-62-48.7177.2-170.1-97.5000110.8I134 Q135 A140 F141 Q142I134-F138 WeakPolarHBondContact O-CB 3.08Å; I134-F138 PolarHBondContact O-N 3.21Å; Q135-F138 PolarHBondContact O-N 2.93Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 3.05Å; F138-F141 PolarHBondContact O-N 3.45Å; F138-Q142 WeakPolarHBondContact O-CB 3.36Å; F138-Q142 PolarHBondContact O-N 3.4Å
139V66.7Low60Low76 Ų76104.8 Ų104.846%0.46151%0.511SS..Hα-helixtrans-61-42.7174.1174.30000111Q135 F141 Q142 I143Q135-V139 VanDerWaalsContact O-CG2 3.32Å; Q135-V139 WeakPolarHBondContact O-CG2 3.45Å; Q135-V139 PolarHBondContact O-N 3.02Å; V139-F141 PolarHBondContact O-N 3.26Å; V139-Q142 PolarHBondContact O-N 3.21Å; V139-I143 HydrophobicContact CG1-CD1 3.57Å; V139-I143 WeakPolarHBondContact O-CB 3.47Å; V139-I143 VanDerWaalsContact O-CD1 3.25Å; V139-I143 WeakPolarHBondContact O-CD1 3.42Å; V139-I143 WeakPolarHBondContact O-CG1 3.23Å; V139-I143 PolarHBondContact O-N 3.03Å
140A61.3Low59.1Low32 Ų32108 Ų10826%0.26451%0.512SS..Hα-helixtrans-72.6-22.7179.500000114.6R136 L137 F138 R148R136-A140 WeakPolarHBondContact O-CB 3.44Å; R136-A140 PolarHBondContact O-N 3.09Å; L137-A140 CarbonylContact O-C 3.57Å; L137-A140 PolarHBondContact O-N 3.05Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 3.05Å; A140-R148 PolarHBondContact O-NH2 3.4Å
141F61.3Low58.4Low164 Ų164107.5 Ų107.572%0.71952%0.52SS*.Hα-helixtrans-80.8-31172.8-123.4-92.4000111.5L137 F138 V139 I143L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.06Å; F138-F141 PolarHBondContact O-N 3.45Å; V139-F141 PolarHBondContact O-N 3.26Å; F141-I143 PolarHBondContact O-N 3.08Å
142Q62Low57.5Low133 Ų133109 Ų10962%0.62153%0.533SS*.Hα-helixtrans-75.1-15.2174.5-151.692.71700112.7F138 V139 P144F138-Q142 WeakPolarHBondContact O-CB 3.36Å; F138-Q142 PolarHBondContact O-N 3.4Å; V139-Q142 PolarHBondContact O-N 3.21Å; Q142-P144 WeakPolarHBondContact O-CD 3.17Å
143I56.4Low56.2Low25 Ų25109.9 Ų109.913%0.12855%0.547CS..SBendtrans-102.3101-177.2-70.7167.4000109.7V139 F141 Y147 R148V139-I143 HydrophobicContact CG1-CD1 3.57Å; V139-I143 WeakPolarHBondContact O-CB 3.47Å; V139-I143 VanDerWaalsContact O-CD1 3.25Å; V139-I143 WeakPolarHBondContact O-CD1 3.42Å; V139-I143 WeakPolarHBondContact O-CG1 3.23Å; V139-I143 PolarHBondContact O-N 3.03Å; F141-I143 PolarHBondContact O-N 3.08Å; I143-Y147 VanDerWaalsContact CA-CE2 3.5Å; I143-Y147 HydrophobicContact CB-CD2 3.86Å; I143-Y147 HydrophobicContact CB-CE2 4.03Å; I143-Y147 HydrophobicContact CG1-CD2 4.22Å; I143-Y147 HydrophobicContact CG1-CE2 4.46Å; I143-Y147 HydrophobicContact CG2-CD2 3.15Å; I143-Y147 HydrophobicContact CG2-CE2 3.78Å; I143-Y147 HydrophobicContact CG2-CG 3.97Å; I143-R148 HydrophobicContact CG2-CG 3.93Å
144P52.5Low55.5Low68 Ų68113.8 Ų113.844%0.44257%0.571SS.*  trans-51.7151.7166.4-30.329000114Q142 E146 Y147Q142-P144 WeakPolarHBondContact O-CD 3.17Å; P144-E146 PolarHBondContact O-N 2.97Å; P144-Y147 HydrophobicContact CB-CE1 3.69Å; P144-Y147 HydrophobicContact CB-CE2 4.02Å; P144-Y147 WeakPolarHBondContact CB-OH 3.04Å; P144-Y147 WeakPolarHBondContact CD-OH 3.44Å; P144-Y147 HydrophobicContact CG-CE1 4.35Å; P144-Y147 HydrophobicContact CG-CE2 4.05Å; P144-Y147 VanDerWaalsContact CG-CZ 3.48Å; P144-Y147 WeakPolarHBondContact CG-OH 3.32Å; P144-Y147 VanDerWaalsContact N-CZ 3.33Å; P144-Y147 WeakPolarHBondContact O-CD1 3.49Å; P144-Y147 WeakPolarHBondContact O-CD2 3.06Å; P144-Y147 WeakPolarHBondContact O-CE1 3.48Å; P144-Y147 WeakPolarHBondContact O-CE2 3.45Å; P144-Y147 VanDerWaalsContact O-CG 3.31Å; P144-Y147 PolarHBondContact O-N 3.44Å
145E58.4Low54.3Low166 Ų166115 Ų11578%0.77659%0.586SS**G310 helixtrans-57.7-26.3-158.3-163.7164.8-165.300114.1Y147E145-Y147 PolarHBondContact O-N 2.8Å; E145-Y147 VanDerWaalsContact O-N 3.15Å
146E53.4Low52.9Low184 Ų184116.2 Ų116.286%0.8660%0.597SS**G310 helixtrans-69.4-8.6-176-58.7-179.8-161.200114.5P144P144-E146 PolarHBondContact O-N 2.97Å
147Y51Low51.5Low105 Ų105112.1 Ų112.141%0.41260%0.6SS.*G310 helixtrans-127.411.7-175.424-73.4000113.9I143 P144 E145 T149I143-Y147 VanDerWaalsContact CA-CE2 3.5Å; I143-Y147 HydrophobicContact CB-CD2 3.86Å; I143-Y147 HydrophobicContact CB-CE2 4.03Å; I143-Y147 HydrophobicContact CG1-CD2 4.22Å; I143-Y147 HydrophobicContact CG1-CE2 4.46Å; I143-Y147 HydrophobicContact CG2-CD2 3.15Å; I143-Y147 HydrophobicContact CG2-CE2 3.78Å; I143-Y147 HydrophobicContact CG2-CG 3.97Å; P144-Y147 HydrophobicContact CB-CE1 3.69Å; P144-Y147 HydrophobicContact CB-CE2 4.02Å; P144-Y147 WeakPolarHBondContact CB-OH 3.04Å; P144-Y147 WeakPolarHBondContact CD-OH 3.44Å; P144-Y147 HydrophobicContact CG-CE1 4.35Å; P144-Y147 HydrophobicContact CG-CE2 4.05Å; P144-Y147 VanDerWaalsContact CG-CZ 3.48Å; P144-Y147 WeakPolarHBondContact CG-OH 3.32Å; P144-Y147 VanDerWaalsContact N-CZ 3.33Å; P144-Y147 WeakPolarHBondContact O-CD1 3.49Å; P144-Y147 WeakPolarHBondContact O-CD2 3.06Å; P144-Y147 WeakPolarHBondContact O-CE1 3.48Å; P144-Y147 WeakPolarHBondContact O-CE2 3.45Å; P144-Y147 VanDerWaalsContact O-CG 3.31Å; P144-Y147 PolarHBondContact O-N 3.44Å; E145-Y147 PolarHBondContact O-N 2.8Å; E145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-T149 PolarHBondContact O-N 2.92Å; Y147-T149 VanDerWaalsContact O-N 3.14Å
148R51.7Low50.3Low136 Ų136113.5 Ų113.551%0.51362%0.622SS.*THydrogen-bonded Turntrans-70.1-2.6177.4-78.7-170.1174.8179.60.7115.1A140 I143A140-R148 PolarHBondContact O-NH2 3.4Å; I143-R148 HydrophobicContact CG2-CG 3.93Å
149T52.7Low49.3Very low112 Ų112114.3 Ų114.369%0.68763%0.632SS**THydrogen-bonded Turntrans-86.4-10.1-176.234.90000114.8Y147Y147-T149 PolarHBondContact O-N 2.92Å; Y147-T149 VanDerWaalsContact O-N 3.14Å
150W41.7Very low48.3Very low212 Ų212120 Ų12080%0.80365%0.651SS**SBendtrans-112.31.4-171.9-67.7-20000116.6
151S47.9Very low47.4Very low83 Ų83127.8 Ų127.858%0.5868%0.679SS**  trans-99.38179.8-10.20000114.9G153S151-G153 VanDerWaalsContact C-N 3.31Å; S151-G153 PolarHBondContact O-N 3.38Å
152V44.4Very low46.6Very low130 Ų130129.4 Ų129.479%0.78869%0.686SS**  trans-91.672.4166.7-170.60000108.2
153G35Very low45.6Very low48 Ų48134.7 Ų134.750%0.49570%0.7SS.*  trans-53.6135.6162.500000108.6S151 S155S151-G153 VanDerWaalsContact C-N 3.31Å; S151-G153 PolarHBondContact O-N 3.38Å; G153-S155 PolarHBondContact O-N 3.21Å
154P42.8Very low44.8Very low128 Ų128142.9 Ų142.983%0.83174%0.735SS**  trans-70.378.1-177.430-34.2000109.5N156P154-N156 PolarHBondContact O-N 3.44Å
155S40.3Very low44.2Very low98 Ų98151.5 Ų151.569%0.68576%0.758SS**  trans-69.6114.7164.667.20000107.4G153G153-S155 PolarHBondContact O-N 3.21Å
156N37.3Very low43.1Very low155 Ų155153.3 Ų153.383%0.82976%0.764SS**SBendtrans83.568.9165.5-39.2-52.9000117.3P154P154-N156 PolarHBondContact O-N 3.44Å
157A37.7Very low42.4Very low87 Ų87152.5 Ų152.572%0.71976%0.76SS**  trans-155.7-7.8156.300000117.6
158A38.5Very low41.7Very low99 Ų99156.3 Ų156.382%0.81878%0.781SS**G310 helixtrans-83.3-15.9-172.100000115.6
159D43Very low40.9Very low159 Ų159156.8 Ų156.885%0.8579%0.794SS**G310 helixtrans-101.316.7-173.1-117.7-33.4000116.2
160K43.9Very low40.3Very low196 Ų196158.6 Ų158.685%0.85280%0.798SS**G310 helixtrans-111.62.3172.5-80.6-175.9177.2178.40114.7
161K44Very low40.3Very low195 Ų195156.6 Ų156.685%0.84880%0.802SS**SBendtrans-98.6-1.5-177.8-141.9172.7-177.8-179.80114.7
162K43.4Very low39.8Very low199 Ų199156.2 Ų156.287%0.86581%0.811SS**SBendtrans-102.24.4179.2-141.5175.2-177.4-179.50115.5
163R41Very low39.6Very low244 Ų244157.8 Ų157.892%0.92182%0.815SS**SBendtrans-113.214.8179.3-105.5-178.3165.4-168.1-4.6115.6
164K41Very low39.8Very low196 Ų196164.4 Ų164.485%0.85283%0.833SS**SBendtrans-115.416.5-177.6-119.9-173.8179.2-166.90115.8
165R40.2Very low39.6Very low250 Ų250161.9 Ų161.994%0.94383%0.83SS**SBendtrans-113.638.7176.6-72.8-171.9171.2178.6-3.5113.4
166K35.2Very low40.1Very low204 Ų204162.8 Ų162.889%0.88783%0.834SS**SBendtrans-144.958.9174.8-152.1178.9-172.9-175.20110.3
167H37.9Very low40.8Very low167 Ų167164.3 Ų164.377%0.77384%0.836SS**  trans-162.365161.6-158.6-78.3000108.8
168E36.8Very low41.5Very low185 Ų185168.7 Ų168.786%0.86484%0.842SS**  trans-129.8133.6164.5-157.7172.2179.600104.7
169N34.4Very low42.4Very low145 Ų145169.7 Ų169.778%0.77583%0.833SS**  trans83.476.2-161-61-10.5000115.7
170I40.7Very low43.1Very low151 Ų151165.2 Ų165.277%0.77482%0.818SS**  -145.2112.4121.4-60.4-167.6000106.6
171L41.3Very low44Very low169 Ų169161.7 Ų161.789%0.88581%0.805SS**  trans-71.9154.5167.8-74.5150.1000110.2
172G36.9Very low45.2Very low76 Ų76158.8 Ų158.878%0.78479%0.792SS**  trans112.7125178.900000109.5
173D40.4Very low46.1Very low162 Ų162158.3 Ų158.387%0.86679%0.785SS**  cis-168.3153.529.8-177.226.4000107.1
174E38.5Very low47.4Very low188 Ų188149.4 Ų149.488%0.87976%0.764SS**  trans-83.6142.8-173.1-62.6-162126.600112.8
175G40Very low48.9Very low74 Ų74146.4 Ų146.476%0.76375%0.751SS**  trans114153.4157.100000117.1
176P50.1Low50.3Low117 Ų117143 Ų14376%0.7674%0.738SS**  cis-120.4166.4-32.631.9-13.6000112.4E178P176-E178 VanDerWaalsContact C-N 3.29Å; P176-E178 PolarHBondContact O-N 3.05Å
177E52.3Low52Low188 Ų188138.6 Ų138.688%0.87972%0.723SS**THydrogen-bonded Turntrans-62.8-2.3-161.1-127.4174.4157.900118.7
178E53.2Low53.7Low179 Ų179138.5 Ų138.584%0.83672%0.721SS**THydrogen-bonded Turntrans-84.7-20-172.4-72.5-166.7145.100115P176P176-E178 VanDerWaalsContact C-N 3.29Å; P176-E178 PolarHBondContact O-N 3.05Å
179D55.8Low55.6Low119 Ų119137.5 Ų137.564%0.63671%0.713SS**Hα-helixtrans-84.1-11.2-179.7-99.4-45.6000113.9R183D179-R183 WeakPolarHBondContact O-CB 3.39Å; D179-R183 PolarHBondContact O-N 3.29Å; D179-R183 VanDerWaalsContact O-N 3.11Å
180A58.4Low57.5Low65 Ų65135.1 Ų135.154%0.53770%0.697SS.*Hα-helixtrans-66.5-40.6-178.500000112.2R183 A184A180-R183 PolarHBondContact O-N 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.43Å; A180-A184 PolarHBondContact O-N 3.47Å
181E63.7Low59.2Low122 Ų122134.5 Ų134.557%0.5769%0.691SS**Hα-helixtrans-70.1-38.7-178-158.6-167.915600111.7R183 A184 K185E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 3.4Å; E181-A184 PolarHBondContact O-N 3.19Å; E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 2.99Å; E181-K185 WeakPolarHBondContact OE1-CE 3.26Å; E181-K185 IonicContact OE1-NZ 2.69Å; E181-K185 PolarHBondContact OE1-NZ 3.03Å
182K68.2Low60.9Low134 Ų134131.2 Ų131.258%0.58367%0.672SS**Hα-helixtrans-67.7-35.4177-144.6172.8-169.6172.50111.1R186K182-R186 VanDerWaalsContact O-CG 3.32Å; K182-R186 WeakPolarHBondContact O-CG 3.03Å; K182-R186 PolarHBondContact O-N 2.94Å
183R62.3Low62.8Low190 Ų190135.8 Ų135.872%0.71767%0.665SS**Hα-helixtrans-71-40.7174.9-149.1173.7-170.4-171.84.4111.9D179 A180 E181 R186 L187D179-R183 WeakPolarHBondContact O-CB 3.39Å; D179-R183 PolarHBondContact O-N 3.29Å; D179-R183 VanDerWaalsContact O-N 3.11Å; A180-R183 PolarHBondContact O-N 3.22Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 3.4Å; R183-R186 PolarHBondContact O-N 2.93Å; R183-L187 WeakPolarHBondContact O-CG 3.22Å; R183-L187 PolarHBondContact O-N 3.01Å
184A69.3Low64.5Low57 Ų57135.5 Ų135.547%0.47165%0.652SS.*Hα-helixtrans-63.8-43.9174.800000112.5A180 E181 R186 L187 K188A180-A184 WeakPolarHBondContact O-CB 3.43Å; A180-A184 PolarHBondContact O-N 3.47Å; E181-A184 PolarHBondContact O-N 3.19Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.97Å; A184-L187 PolarHBondContact O-N 3.19Å; A184-K188 PolarHBondContact O-N 3.32Å
185K71.5Confident66.4Low133 Ų133131 Ų13158%0.57863%0.631SS**Hα-helixtrans-61.9-37.2174.9-76.3176.4-175.71640112.4E181 K189E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 2.99Å; E181-K185 WeakPolarHBondContact OE1-CE 3.26Å; E181-K185 IonicContact OE1-NZ 2.69Å; E181-K185 PolarHBondContact OE1-NZ 3.03Å; K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 3.03Å
186R69.6Low68.1Low179 Ų179133.7 Ų133.768%0.67562%0.621SS**Hα-helixtrans-67-42.9175.5-75.9176.3178.5-1711112.4K182 R183 A184 K189 E190K182-R186 VanDerWaalsContact O-CG 3.32Å; K182-R186 WeakPolarHBondContact O-CG 3.03Å; K182-R186 PolarHBondContact O-N 2.94Å; R183-R186 PolarHBondContact O-N 2.93Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.97Å; R186-K189 PolarHBondContact O-N 3.44Å; R186-E190 PolarHBondContact O-N 3.2Å
187L71.8Confident69.3Low111 Ų111134.5 Ų134.558%0.58161%0.613SS**Hα-helixtrans-63.8-43.6177.7-72169.6000112R183 A184 K189 E190 E191R183-L187 WeakPolarHBondContact O-CG 3.22Å; R183-L187 PolarHBondContact O-N 3.01Å; A184-L187 PolarHBondContact O-N 3.19Å; L187-K189 PolarHBondContact O-N 3.1Å; L187-E190 PolarHBondContact O-N 3.22Å; L187-E191 PolarHBondContact O-N 2.66Å
188K73.8Confident70.5Confident165 Ų165133 Ų13372%0.71760%0.604SS**Hα-helixtrans-62.8-40.2177.8-158.9173-174.9177.30112.2A184 E190 E191 E192A184-K188 PolarHBondContact O-N 3.32Å; K188-E190 VanDerWaalsContact C-N 3.35Å; K188-E190 PolarHBondContact O-N 2.85Å; K188-E191 PolarHBondContact O-N 3.38Å; K188-E192 PolarHBondContact O-N 2.99Å
189K75Confident71.5Confident163 Ų163130.9 Ų130.971%0.70959%0.592SS**Hα-helixtrans-67.4-32.4175.6-168172.9-176.5174.60112.7K185 R186 L187 R193K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 3.03Å; R186-K189 PolarHBondContact O-N 3.44Å; L187-K189 PolarHBondContact O-N 3.1Å; K189-R193 PolarHBondContact O-N 3.28Å
190E75.8Confident72.5Confident95 Ų95132.4 Ų132.444%0.44459%0.593SS.*Hα-helixtrans-73.2-38.9176.6-166.1179.2164.200112.3R186 L187 K188 R193 R194R186-E190 PolarHBondContact O-N 3.2Å; L187-E190 PolarHBondContact O-N 3.22Å; K188-E190 VanDerWaalsContact C-N 3.35Å; K188-E190 PolarHBondContact O-N 2.85Å; E190-R193 PolarHBondContact O-N 3.06Å; E190-R194 WeakPolarHBondContact O-CG 3.24Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 IonicContact OE1-CZ 3.35Å; E190-R194 IonicContact OE1-NE 3.31Å; E190-R194 PolarHBondContact OE1-NE 3Å; E190-R194 IonicContact OE1-NH2 2.65Å; E190-R194 PolarHBondContact OE1-NH2 3.04Å
191E74.6Confident73.3Confident138 Ų138135.5 Ų135.565%0.64559%0.594SS**Hα-helixtrans-63.8-45.4177.4-171.1165.9-156.600112.2L187 K188 R193 R194 E195L187-E191 PolarHBondContact O-N 2.66Å; K188-E191 PolarHBondContact O-N 3.38Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.23Å; E191-R194 WeakPolarHBondContact O-CB 3.4Å; E191-R194 PolarHBondContact O-N 2.86Å; E191-R194 VanDerWaalsContact O-N 3.07Å; E191-E195 PolarHBondContact O-N 3.01Å
192E78.4Confident73.8Confident101 Ų101133.5 Ų133.547%0.47259%0.587SS.*Hα-helixtrans-60.8-38.4176.6-162.2-16314900111.9K188 E195 K196K188-E192 PolarHBondContact O-N 2.99Å; E192-E195 PolarHBondContact O-N 3.43Å; E192-K196 WeakPolarHBondContact O-CG 3.43Å; E192-K196 PolarHBondContact O-N 3.35Å; E192-K196 VanDerWaalsContact OE1-CE 3.31Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 3.36Å
193R77.3Confident74.1Confident171 Ų171134.7 Ų134.765%0.64559%0.592SS**Hα-helixtrans-68.5-34.8176.4-166177.7171.8-159.6-1.2111.7K189 E190 E191 K197K189-R193 PolarHBondContact O-N 3.28Å; E190-R193 PolarHBondContact O-N 3.06Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.23Å; R193-K197 WeakPolarHBondContact O-CG 3.13Å; R193-K197 PolarHBondContact O-N 2.86Å
194R76.1Confident74.6Confident156 Ų156132.9 Ų132.959%0.58959%0.59SS**Hα-helixtrans-69-39.3173.7-72174.5-178.4-162.32111.2E190 E191 K197 K198E190-R194 WeakPolarHBondContact O-CG 3.24Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 IonicContact OE1-CZ 3.35Å; E190-R194 IonicContact OE1-NE 3.31Å; E190-R194 PolarHBondContact OE1-NE 3Å; E190-R194 IonicContact OE1-NH2 2.65Å; E190-R194 PolarHBondContact OE1-NH2 3.04Å; E191-R194 WeakPolarHBondContact O-CB 3.4Å; E191-R194 PolarHBondContact O-N 2.86Å; E191-R194 VanDerWaalsContact O-N 3.07Å; R194-K197 PolarHBondContact O-N 3.38Å; R194-K198 WeakPolarHBondContact O-CG 3.46Å; R194-K198 PolarHBondContact O-N 2.69Å
195E77Confident74.5Confident94 Ų94137.6 Ų137.644%0.43960%0.595SS.*Hα-helixtrans-67.9-43.8177.8-157.5-169.9148.300112.3E191 E192 K197 K198 K199E191-E195 PolarHBondContact O-N 3.01Å; E192-E195 PolarHBondContact O-N 3.43Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 3.35Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-K198 VanDerWaalsContact O-N 3.13Å; E195-K199 PolarHBondContact O-N 3.05Å; E195-K199 WeakPolarHBondContact OE1-CE 3.38Å; E195-K199 IonicContact OE1-NZ 2.74Å; E195-K199 PolarHBondContact OE1-NZ 3.47Å
196K75.3Confident74.5Confident130 Ų130137.5 Ų137.557%0.56560%0.595SS**Hα-helixtrans-58.2-40.2172.6-77.1172.5171.3165.90112E192 K200E192-K196 WeakPolarHBondContact O-CG 3.43Å; E192-K196 PolarHBondContact O-N 3.35Å; E192-K196 VanDerWaalsContact OE1-CE 3.31Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 3.36Å; K196-K200 PolarHBondContact O-N 3.44Å; K196-K200 VanDerWaalsContact O-N 3.13Å
197K76Confident74.4Confident135 Ų135133.5 Ų133.559%0.58759%0.59SS**Hα-helixtrans-65.9-40.4174.2-78-179.1178.7-176.40112.6R193 R194 E195 K200 K201R193-K197 WeakPolarHBondContact O-CG 3.13Å; R193-K197 PolarHBondContact O-N 2.86Å; R194-K197 PolarHBondContact O-N 3.38Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 3.35Å; K197-K200 PolarHBondContact O-N 3.21Å; K197-K201 PolarHBondContact O-N 3.25Å; K197-K201 VanDerWaalsContact O-N 3.08Å
198K76.9Confident74.2Confident156 Ų156134.1 Ų134.168%0.67859%0.59SS**Hα-helixtrans-62.1-47.8175-76179.5178.9178.40111.3R194 E195 K200 K201 D202R194-K198 WeakPolarHBondContact O-CG 3.46Å; R194-K198 PolarHBondContact O-N 2.69Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-K198 VanDerWaalsContact O-N 3.13Å; K198-K200 VanDerWaalsContact C-N 3.35Å; K198-K200 PolarHBondContact O-N 2.93Å; K198-K201 PolarHBondContact O-N 3.37Å; K198-D202 WeakPolarHBondContact O-CB 3.48Å; K198-D202 PolarHBondContact O-N 2.76Å
199K75.7Confident73.8Confident135 Ų135129.9 Ų129.959%0.58758%0.58SS**Hα-helixtrans-59-40.8177.3-72177.7-177.4165.80112.5E195 D202 K203E195-K199 PolarHBondContact O-N 3.05Å; E195-K199 WeakPolarHBondContact OE1-CE 3.38Å; E195-K199 IonicContact OE1-NZ 2.74Å; E195-K199 PolarHBondContact OE1-NZ 3.47Å; K199-D202 PolarHBondContact O-N 3.11Å; K199-K203 PolarHBondContact O-N 3.02Å
200K76.7Confident73.4Confident151 Ų151129.6 Ų129.666%0.65758%0.579SS**Hα-helixtrans-67.6-38.3176.2-166.3172.4-176.1174.90112.9K196 K197 K198 D202 K204K196-K200 PolarHBondContact O-N 3.44Å; K196-K200 VanDerWaalsContact O-N 3.13Å; K197-K200 PolarHBondContact O-N 3.21Å; K198-K200 VanDerWaalsContact C-N 3.35Å; K198-K200 PolarHBondContact O-N 2.93Å; K200-D202 VanDerWaalsContact C-N 3.35Å; K200-K204 PolarHBondContact O-N 3.11Å
201K75.4Confident73.3Confident130 Ų130129.5 Ų129.557%0.56558%0.581SS**Hα-helixtrans-66.9-37.7175.8-166.9178.2-178.7179.40111.3K197 K198 K204 R205K197-K201 PolarHBondContact O-N 3.25Å; K197-K201 VanDerWaalsContact O-N 3.08Å; K198-K201 PolarHBondContact O-N 3.37Å; K201-K204 PolarHBondContact O-N 3.3Å; K201-R205 WeakPolarHBondContact O-CG 3.45Å; K201-R205 PolarHBondContact O-N 3.3Å
202D72.3Confident73.1Confident80 Ų80123.9 Ų123.943%0.42856%0.557SS.*Hα-helixtrans-71.4-39.3-179.5-153.443.4000112.4K198 K199 K200 K204 R205 K206K198-D202 WeakPolarHBondContact O-CB 3.48Å; K198-D202 PolarHBondContact O-N 2.76Å; K199-D202 PolarHBondContact O-N 3.11Å; K200-D202 VanDerWaalsContact C-N 3.35Å; D202-K204 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 3.09Å; D202-R205 PolarHBondContact O-N 3.07Å; D202-R205 VanDerWaalsContact O-N 3.17Å; D202-K206 WeakPolarHBondContact O-CG 3.49Å; D202-K206 PolarHBondContact O-N 2.9Å; D202-K206 IonicContact OD2-NZ 3.85Å
203K76Confident72.8Confident159 Ų159122.6 Ų122.669%0.69156%0.556SS**Hα-helixtrans-60-41.1171.6-162.7171.4-175.8176.90111.9K199 K206 V207K199-K203 PolarHBondContact O-N 3.02Å; K203-K206 PolarHBondContact O-N 3.35Å; K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 3.11Å
204K71.9Confident72.6Confident151 Ų151119.7 Ų119.766%0.65755%0.552SS**Hα-helixtrans-64.7-39174.2-74.7-171.1175.4-167.20112.7K200 K201 D202 V207 H208K200-K204 PolarHBondContact O-N 3.11Å; K201-K204 PolarHBondContact O-N 3.3Å; D202-K204 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 3.09Å; K204-V207 PolarHBondContact O-N 3.18Å; K204-H208 WeakPolarHBondContact O-CB 3.33Å; K204-H208 PolarHBondContact O-N 3.05Å
205R67.3Low72.6Confident156 Ų156117.5 Ų117.559%0.58955%0.547SS*.Hα-helixtrans-66.1-40.5176.9-75.2178.2175.4-121.6-9112.3K201 D202 V207 H208 C209K201-R205 WeakPolarHBondContact O-CG 3.45Å; K201-R205 PolarHBondContact O-N 3.3Å; D202-R205 PolarHBondContact O-N 3.07Å; D202-R205 VanDerWaalsContact O-N 3.17Å; R205-V207 PolarHBondContact O-N 3.1Å; R205-H208 PolarHBondContact O-N 3.19Å; R205-C209 VanDerWaalsContact O-CB 3.25Å; R205-C209 WeakPolarHBondContact O-CB 3.4Å; R205-C209 PolarHBondContact O-N 3.39Å
206K71.6Confident72.4Confident131 Ų131115 Ų11557%0.5754%0.543SS*.Hα-helixtrans-62.4-40.9175.4-71.2178.9-176.6-179.50112.1D202 K203 K210D202-K206 WeakPolarHBondContact O-CG 3.49Å; D202-K206 PolarHBondContact O-N 2.9Å; D202-K206 IonicContact OD2-NZ 3.85Å; K203-K206 PolarHBondContact O-N 3.35Å; K206-K210 WeakPolarHBondContact O-CG 3.41Å; K206-K210 PolarHBondContact O-N 3.45Å
207V68.5Low72.5Confident96 Ų96113.5 Ų113.558%0.58254%0.54SS*.Hα-helixtrans-66.1-46.2175.5175.90000111.3K203 K204 R205 C209 K210 L211K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 3.11Å; K204-V207 PolarHBondContact O-N 3.18Å; R205-V207 PolarHBondContact O-N 3.1Å; V207-C209 VanDerWaalsContact C-N 3.33Å; V207-C209 PolarHBondContact O-N 3.35Å; V207-K210 PolarHBondContact O-N 3.38Å; V207-L211 PolarHBondContact O-N 3.36Å
208H66.5Low72.6Confident124 Ų124109 Ų10957%0.57453%0.532SS*.Hα-helixtrans-62.2-41.1177.9-17268.3000112K204 R205 L211 C212K204-H208 WeakPolarHBondContact O-CB 3.33Å; K204-H208 PolarHBondContact O-N 3.05Å; R205-H208 PolarHBondContact O-N 3.19Å; H208-L211 PolarHBondContact O-N 2.99Å; H208-C212 WeakPolarHBondContact O-CB 3.49Å; H208-C212 PolarHBondContact O-N 2.93Å; H208-C212 PolarHBondContact O-SG 3.44Å; H208-C212 VanDerWaalsContact O-SG 3.33Å
209C65.5Low72.6Confident76 Ų76108.7 Ų108.751%0.51453%0.527SS..Hα-helixtrans-63.3-45177.3-169.90000111.8R205 V207 L211 C212 V213R205-C209 VanDerWaalsContact O-CB 3.25Å; R205-C209 WeakPolarHBondContact O-CB 3.4Å; R205-C209 PolarHBondContact O-N 3.39Å; V207-C209 VanDerWaalsContact C-N 3.33Å; V207-C209 PolarHBondContact O-N 3.35Å; C209-L211 VanDerWaalsContact C-N 3.35Å; C209-L211 PolarHBondContact O-N 2.92Å; C209-C212 PolarHBondContact O-N 3.23Å; C209-V213 VanDerWaalsContact O-CG2 3.32Å; C209-V213 WeakPolarHBondContact O-CG2 3.48Å; C209-V213 PolarHBondContact O-N 2.88Å
210K67.6Low72.6Confident156 Ų156107 Ų10768%0.67853%0.525SS*.Hα-helixtrans-60-42.6175-74.5-175.9178.4-170.20112.4K206 V207 V213 L214K206-K210 WeakPolarHBondContact O-CG 3.41Å; K206-K210 PolarHBondContact O-N 3.45Å; V207-K210 PolarHBondContact O-N 3.38Å; K210-V213 PolarHBondContact O-N 2.72Å; K210-L214 PolarHBondContact O-N 3.4Å; K210-L214 VanDerWaalsContact O-N 3.09Å
211L72.1Confident72.6Confident93 Ų93105.9 Ų105.949%0.48752%0.521SS..Hα-helixtrans-67.1-38.1178.4-171.465.8000112.3V207 H208 C209 K215V207-L211 PolarHBondContact O-N 3.36Å; H208-L211 PolarHBondContact O-N 2.99Å; C209-L211 VanDerWaalsContact C-N 3.35Å; C209-L211 PolarHBondContact O-N 2.92Å; L211-K215 PolarHBondContact O-N 2.92Å; L211-K215 VanDerWaalsContact O-N 3.11Å
212C71.3Confident72.6Confident21 Ų21104.4 Ų104.414%0.14252%0.519CS..Hα-helixtrans-65.2-42174.7-74.40000112.2H208 C209 K215 A216H208-C212 WeakPolarHBondContact O-CB 3.49Å; H208-C212 PolarHBondContact O-N 2.93Å; H208-C212 PolarHBondContact O-SG 3.44Å; H208-C212 VanDerWaalsContact O-SG 3.33Å; C209-C212 PolarHBondContact O-N 3.23Å; C212-K215 PolarHBondContact O-N 3.38Å; C212-A216 WeakPolarHBondContact O-CB 3.32Å; C212-A216 PolarHBondContact O-N 3.26Å
213V71.4Confident72.7Confident74 Ų74107.1 Ų107.145%0.44853%0.527SS..Hα-helixtrans-64.1-44.5177.8172.20000111.2C209 K210 K215 A216 I217C209-V213 VanDerWaalsContact O-CG2 3.32Å; C209-V213 WeakPolarHBondContact O-CG2 3.48Å; C209-V213 PolarHBondContact O-N 2.88Å; K210-V213 PolarHBondContact O-N 2.72Å; V213-K215 PolarHBondContact O-N 2.76Å; V213-A216 PolarHBondContact O-N 3.42Å; V213-I217 HydrophobicContact CG1-CD1 3.87Å; V213-I217 HydrophobicContact CG1-CG1 4.48Å; V213-I217 WeakPolarHBondContact O-CG1 3.41Å; V213-I217 PolarHBondContact O-N 3.15Å
214L74Confident72.6Confident109 Ų109103 Ų10357%0.57152%0.516SS*.Hα-helixtrans-61.6-41.8176.7-77.5162.6000112.4K210 I217 G218K210-L214 PolarHBondContact O-N 3.4Å; K210-L214 VanDerWaalsContact O-N 3.09Å; L214-I217 PolarHBondContact O-N 3.2Å; L214-G218 PolarHBondContact O-N 3.32Å
215K76.4Confident72.6Confident110 Ų11099.7 Ų99.748%0.47850%0.501SS..Hα-helixtrans-62.3-45.4173.7-79.6-177.7173.61780111.5L211 C212 V213 I217 G218 Y219L211-K215 PolarHBondContact O-N 2.92Å; L211-K215 VanDerWaalsContact O-N 3.11Å; C212-K215 PolarHBondContact O-N 3.38Å; V213-K215 PolarHBondContact O-N 2.76Å; K215-I217 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 3.27Å; K215-G218 PolarHBondContact O-N 3.39Å; K215-Y219 HydrophobicContact CB-CD2 4.48Å; K215-Y219 HydrophobicContact CB-CE2 4.33Å; K215-Y219 WeakPolarHBondContact O-CD2 3.39Å; K215-Y219 PolarHBondContact O-N 2.98Å
216A72.4Confident72.7Confident43 Ų4398 Ų9836%0.35550%0.498SS..Hα-helixtrans-60.6-42178.900000112.3C212 V213 Y219 L220C212-A216 WeakPolarHBondContact O-CB 3.32Å; C212-A216 PolarHBondContact O-N 3.26Å; V213-A216 PolarHBondContact O-N 3.42Å; A216-Y219 PolarHBondContact O-N 3.26Å; A216-L220 WeakPolarHBondContact O-CB 3.42Å; A216-L220 PolarHBondContact O-N 2.94Å
217I77.7Confident72.8Confident98 Ų9898.8 Ų98.850%0.50350%0.502SS..Hα-helixtrans-62.7-44.5174.9-66.2165.9000110.7V213 L214 K215 Y219 L220 H221V213-I217 HydrophobicContact CG1-CD1 3.87Å; V213-I217 HydrophobicContact CG1-CG1 4.48Å; V213-I217 WeakPolarHBondContact O-CG1 3.41Å; V213-I217 PolarHBondContact O-N 3.15Å; L214-I217 PolarHBondContact O-N 3.2Å; K215-I217 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 3.27Å; I217-Y219 PolarHBondContact O-N 3.47Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-H221 PolarHBondContact O-N 3.45Å
218G77.6Confident72.7Confident41 Ų41100.8 Ų100.842%0.42350%0.503SS..Hα-helixtrans-59.7-43.8176.600000113.1L214 K215 H221 L222L214-G218 PolarHBondContact O-N 3.32Å; K215-G218 PolarHBondContact O-N 3.39Å; G218-H221 PolarHBondContact O-N 2.9Å; G218-L222 WeakPolarHBondContact O-CB 3.31Å; G218-L222 PolarHBondContact O-N 2.94Å
219Y77.8Confident72.7Confident148 Ų14897.2 Ų97.258%0.5849%0.492SS*.Hα-helixtrans-65.7-38.6175-76.2-68000112.5K215 A216 I217 H221 L222 F223K215-Y219 HydrophobicContact CB-CD2 4.48Å; K215-Y219 HydrophobicContact CB-CE2 4.33Å; K215-Y219 WeakPolarHBondContact O-CD2 3.39Å; K215-Y219 PolarHBondContact O-N 2.98Å; A216-Y219 PolarHBondContact O-N 3.26Å; I217-Y219 PolarHBondContact O-N 3.47Å; Y219-H221 VanDerWaalsContact C-N 3.34Å; Y219-L222 PolarHBondContact O-N 3.33Å; Y219-F223 VanDerWaalsContact O-CB 3.22Å; Y219-F223 WeakPolarHBondContact O-CB 3.42Å; Y219-F223 PolarHBondContact O-N 3.32Å
220L75.5Confident72.4Confident101 Ų101100.8 Ų100.853%0.52950%0.499SS..Hα-helixtrans-64.8-41.5178.3-161.972.7000111.1A216 I217 F223 T224A216-L220 WeakPolarHBondContact O-CB 3.42Å; A216-L220 PolarHBondContact O-N 2.94Å; I217-L220 PolarHBondContact O-N 3.48Å; L220-F223 PolarHBondContact O-N 2.86Å; L220-T224 WeakPolarHBondContact O-CG2 3.14Å; L220-T224 PolarHBondContact O-N 3.11Å; L220-T224 PolarHBondContact O-OG1 3.21Å
221H75.4Confident72Confident127 Ų12798.6 Ų98.659%0.58849%0.491SS*.Hα-helixtrans-67.5-39.5177-130.7-84.7000112.3I217 G218 Y219 F223 T224 F225I217-H221 PolarHBondContact O-N 3.45Å; G218-H221 PolarHBondContact O-N 2.9Å; Y219-H221 VanDerWaalsContact C-N 3.34Å; H221-F223 VanDerWaalsContact C-N 3.32Å; H221-T224 WeakPolarHBondContact CA-OG1 3.49Å; H221-T224 PolarHBondContact O-OG1 3.02Å; H221-T224 VanDerWaalsContact O-OG1 3.04Å; H221-F225 WeakPolarHBondContact O-CB 3.25Å; H221-F225 PolarHBondContact O-N 3.41Å
222L76.2Confident71Confident98 Ų98102.3 Ų102.351%0.51350%0.499SS..Hα-helixtrans-66.3-38.2175-167.769.2000111.3G218 Y219 F226G218-L222 WeakPolarHBondContact O-CB 3.31Å; G218-L222 PolarHBondContact O-N 2.94Å; Y219-L222 PolarHBondContact O-N 3.33Å; L222-F226 HydrophobicContact CG-CD2 4.43Å; L222-F226 WeakPolarHBondContact O-CB 3.47Å; L222-F226 PolarHBondContact O-N 3.17Å
223F74.1Confident70.2Confident137 Ų137106.8 Ų106.860%0.60153%0.529SS*.Hα-helixtrans-70.8-44.6178.9-171.1-95.9000112.4Y219 L220 H221 F225 F226 K227Y219-F223 VanDerWaalsContact O-CB 3.22Å; Y219-F223 WeakPolarHBondContact O-CB 3.42Å; Y219-F223 PolarHBondContact O-N 3.32Å; L220-F223 PolarHBondContact O-N 2.86Å; H221-F223 VanDerWaalsContact C-N 3.32Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.9Å; F223-F226 PolarHBondContact O-N 2.93Å; F223-K227 WeakPolarHBondContact O-CB 3.33Å; F223-K227 PolarHBondContact O-N 3.07Å
224T72.9Confident69.2Low73 Ų73111 Ų11145%0.44854%0.542SS..Hα-helixtrans-62.5-39.1174.248.10000111.1L220 H221 K227 F228L220-T224 WeakPolarHBondContact O-CG2 3.14Å; L220-T224 PolarHBondContact O-N 3.11Å; L220-T224 PolarHBondContact O-OG1 3.21Å; H221-T224 WeakPolarHBondContact CA-OG1 3.49Å; H221-T224 PolarHBondContact O-OG1 3.02Å; H221-T224 VanDerWaalsContact O-OG1 3.04Å; T224-K227 PolarHBondContact O-N 3.5Å; T224-F228 WeakPolarHBondContact O-CB 3.28Å; T224-F228 PolarHBondContact O-N 2.62Å
225F72.2Confident68.1Low81 Ų81111 Ų11136%0.35554%0.542SS..Hα-helixtrans-63.6-47175.6-170.6-109.8000112.6H221 F223 K227 F228 S229 F256H221-F225 WeakPolarHBondContact O-CB 3.25Å; H221-F225 PolarHBondContact O-N 3.41Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.9Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 3.49Å; F225-F228 PolarHBondContact O-N 3.31Å; F225-S229 PolarHBondContact O-N 3.44Å; F225-S229 PolarHBondContact O-OG 3.19Å; F225-F256 HydrophobicContact CD1-CZ 4.28Å; F225-F256 AromaticContact CE1-CE1 3.81Å; F225-F256 HydrophobicContact CE1-CE1 3.81Å; F225-F256 AromaticContact CE1-CE2 3.54Å; F225-F256 HydrophobicContact CE1-CE2 3.54Å; F225-F256 AromaticContact CE1-CZ 3.05Å; F225-F256 HydrophobicContact CE1-CZ 3.05Å; F225-F256 AromaticContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CZ 4.33Å; F225-F256 AromaticContact CZ-CD2 3.9Å; F225-F256 HydrophobicContact CZ-CD2 3.9Å; F225-F256 AromaticContact CZ-CE1 3.89Å; F225-F256 HydrophobicContact CZ-CE1 3.89Å; F225-F256 AromaticContact CZ-CE2 3.06Å; F225-F256 HydrophobicContact CZ-CE2 3.06Å; F225-F256 AromaticContact CZ-CZ 3.09Å; F225-F256 HydrophobicContact CZ-CZ 3.09Å
226F71Confident66.8Low120 Ų120113.6 Ų113.653%0.52656%0.555SS.*Hα-helixtrans-60-41.5174.3-106.9-91000112.1L222 F223 S229 F230L222-F226 HydrophobicContact CG-CD2 4.43Å; L222-F226 WeakPolarHBondContact O-CB 3.47Å; L222-F226 PolarHBondContact O-N 3.17Å; F223-F226 PolarHBondContact O-N 2.93Å; F226-S229 PolarHBondContact O-N 3.12Å; F226-F230 HydrophobicContact CD1-CD2 4.3Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 HydrophobicContact CE1-CE2 4.49Å; F226-F230 WeakPolarHBondContact O-CB 3.16Å; F226-F230 WeakPolarHBondContact O-CD2 3.32Å; F226-F230 PolarHBondContact O-N 3.15Å
227K72.4Confident65.6Low148 Ų148117.3 Ų117.364%0.64357%0.569SS**Hα-helixtrans-67.1-37.4178.5-161.6175.3-177.5167.70111.9F223 T224 F225 H231F223-K227 WeakPolarHBondContact O-CB 3.33Å; F223-K227 PolarHBondContact O-N 3.07Å; T224-K227 PolarHBondContact O-N 3.5Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 3.49Å; K227-H231 VanDerWaalsContact O-CB 3.32Å; K227-H231 WeakPolarHBondContact O-CB 3.2Å; K227-H231 PolarHBondContact O-N 3.24Å
228F66.5Low64.1Low138 Ų138118.2 Ų118.261%0.60558%0.575SS**Hα-helixtrans-69.7-42177.1-142.5-93.1000111.5T224 F225 F230 H231 W232T224-F228 WeakPolarHBondContact O-CB 3.28Å; T224-F228 PolarHBondContact O-N 2.62Å; F225-F228 PolarHBondContact O-N 3.31Å; F228-F230 PolarHBondContact O-N 2.76Å; F228-H231 PolarHBondContact O-N 3.2Å; F228-W232 HydrophobicContact CD1-CE3 4.42Å; F228-W232 AromaticContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CZ3 4.12Å; F228-W232 WeakPolarHBondContact O-CB 3.48Å; F228-W232 PolarHBondContact O-N 2.85Å
229S66.2Low63.1Low49 Ų49120.4 Ų120.434%0.34360%0.598SS.*Hα-helixtrans-62.1-41.2173.7-720000112.5F225 F226 C233F225-S229 PolarHBondContact O-N 3.44Å; F225-S229 PolarHBondContact O-OG 3.19Å; F226-S229 PolarHBondContact O-N 3.12Å; S229-C233 WeakPolarHBondContact O-CB 3.38Å; S229-C233 PolarHBondContact O-N 3.29Å
230F58.9Low62Low151 Ų151120.6 Ų120.666%0.66261%0.609SS**Hα-helixtrans-67.9-39.4175.8-98.6-90.6000112.7F226 F228 F234F226-F230 HydrophobicContact CD1-CD2 4.3Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 HydrophobicContact CE1-CE2 4.49Å; F226-F230 WeakPolarHBondContact O-CB 3.16Å; F226-F230 WeakPolarHBondContact O-CD2 3.32Å; F226-F230 PolarHBondContact O-N 3.15Å; F228-F230 PolarHBondContact O-N 2.76Å; F230-F234 PolarHBondContact O-N 3.49Å
231H59Low61.1Low111 Ų111118.9 Ų118.951%0.51462%0.615SS.*Hα-helixtrans-71.1-37.9178.4-166.6-93.1000111.9K227 F228 F234 L235K227-H231 VanDerWaalsContact O-CB 3.32Å; K227-H231 WeakPolarHBondContact O-CB 3.2Å; K227-H231 PolarHBondContact O-N 3.24Å; F228-H231 PolarHBondContact O-N 3.2Å; H231-F234 PolarHBondContact O-N 3.29Å; H231-F234 VanDerWaalsContact O-N 3.12Å; H231-L235 VanDerWaalsContact CE1-CD1 3.46Å; H231-L235 WeakPolarHBondContact CE1-CD1 3.46Å; H231-L235 PolarHBondContact O-N 3.09Å
232W52.6Low59.8Low171 Ų171121.4 Ų121.465%0.64863%0.625SS**Hα-helixtrans-67.3-37.9176.2-156.9-81.9000112.1F228 F234 L235F228-W232 HydrophobicContact CD1-CE3 4.42Å; F228-W232 AromaticContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CE3 3.81Å; F228-W232 HydrophobicContact CE1-CZ3 4.12Å; F228-W232 WeakPolarHBondContact O-CB 3.48Å; F228-W232 PolarHBondContact O-N 2.85Å; W232-F234 PolarHBondContact O-N 2.84Å; W232-F234 VanDerWaalsContact O-N 3.15Å; W232-L235 PolarHBondContact O-N 3.17Å
233C53Low58.5Low115 Ų115122 Ų12278%0.77764%0.635SS**THydrogen-bonded Turntrans-63-15.8171.4-84.20000114S229S229-C233 WeakPolarHBondContact O-CB 3.38Å; S229-C233 PolarHBondContact O-N 3.29Å
234F51.8Low57.3Low163 Ų163125.1 Ų125.172%0.71564%0.642SS**THydrogen-bonded Turntrans-108.5-11-175.4-140.8-91000114F230 H231 W232F230-F234 PolarHBondContact O-N 3.49Å; H231-F234 PolarHBondContact O-N 3.29Å; H231-F234 VanDerWaalsContact O-N 3.12Å; W232-F234 PolarHBondContact O-N 2.84Å; W232-F234 VanDerWaalsContact O-N 3.15Å
235L49.8Very low56Low109 Ų109131.8 Ų131.857%0.57167%0.665SS**  trans-1011.2-169-136.677.6000115.6H231 W232 N237H231-L235 VanDerWaalsContact CE1-CD1 3.46Å; H231-L235 WeakPolarHBondContact CE1-CD1 3.46Å; H231-L235 PolarHBondContact O-N 3.09Å; W232-L235 PolarHBondContact O-N 3.17Å; L235-N237 PolarHBondContact O-N 3.06Å
236E50.3Low54.8Low164 Ų164136.6 Ų136.677%0.76669%0.686SS**  trans-89.282.9175.6-148.9146.3-153.300109
237N46.5Very low53.4Low121 Ų121135.6 Ų135.665%0.64769%0.694SS**  trans-86.8104172.4-78.4-55.4000109.2L235L235-N237 PolarHBondContact O-N 3.06Å
238D47.4Very low52.2Low117 Ų117132.6 Ų132.663%0.62670%0.697SS**  trans-64.8145.6152.2-70-44.6000108.4D240 G241D238-D240 PolarHBondContact O-N 3.4Å; D238-G241 PolarHBondContact O-N 2.9Å
239G55.4Low51.1Low87 Ų87133 Ų13390%0.89771%0.706SS**THydrogen-bonded Turntrans-5811.2-169.600000118.5
240D54.7Low49.9Very low152 Ų152137.9 Ų137.981%0.81373%0.728SS**THydrogen-bonded Turntrans-112.14.8-176.8-73.6-35.7000114.8D238 K242D238-D240 PolarHBondContact O-N 3.4Å; D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.5Å; D240-K242 VanDerWaalsContact O-N 3.16Å
241G56.3Low49.6Very low64 Ų64136 Ų13666%0.6673%0.733SS**  trans65.721168.500000116.2D238D238-G241 PolarHBondContact O-N 2.9Å
242K48.9Very low49Very low181 Ų181133.4 Ų133.479%0.78774%0.736SS**  trans-112.1124.6174-81.9179.1179.4172.40111.4D240 R244D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.5Å; D240-K242 VanDerWaalsContact O-N 3.16Å; K242-R244 PolarHBondContact O-N 3.33Å
243P49.4Very low48.8Very low111 Ų111129.7 Ų129.772%0.72174%0.736SS**  trans-69.3121.9175.327.7-32.1000110.2
244R48Very low48.5Very low202 Ų202134.6 Ų134.676%0.76274%0.738SS**  trans-90125.6167.2-78.7-167.9-174.2-162.75.2109.8K242 F246K242-R244 PolarHBondContact O-N 3.33Å; R244-F246 PolarHBondContact O-N 3.44Å
245F46.7Very low48.5Very low213 Ų213133.2 Ų133.293%0.93474%0.737SS**  trans-70.2109.1160.9-103.8-95.8000108.3S247F245-S247 PolarHBondContact O-N 2.7Å
246F46.6Very low48.5Very low182 Ų182132.7 Ų132.780%0.79873%0.731SS**  trans-79.4115.2166.5-115.1-91.3000109R244 A248R244-F246 PolarHBondContact O-N 3.44Å; F246-A248 PolarHBondContact O-N 3.26Å
247S41.3Very low48.7Very low98 Ų98131.8 Ų131.869%0.68573%0.726SS**  trans-63.8119.4166.6-178.10000108.2F245 N249F245-S247 PolarHBondContact O-N 2.7Å; S247-N249 PolarHBondContact O-N 3.44Å
248A47.4Very low48.9Very low86 Ų86133.6 Ų133.671%0.71173%0.729SS**SBendtrans-65.690.8178.200000110.3F246F246-A248 PolarHBondContact O-N 3.26Å
249N43.9Very low49.3Very low147 Ų147133.2 Ų133.279%0.78673%0.726SS**  trans-144.1-2.4169.2-100.4-18.1000116.4S247S247-N249 PolarHBondContact O-N 3.44Å
250D40.7Very low49.3Very low151 Ų151131.8 Ų131.881%0.80770%0.7SS**SBendtrans-124.5116.5-177.4-101.8-40.7000114.5G252D250-G252 VanDerWaalsContact C-N 3.31Å; D250-G252 PolarHBondContact O-N 3.49Å
251S52Low49.2Very low111 Ų111128.2 Ų128.278%0.77668%0.684SS**SBendtrans64.2-27.515669.80000121C253S251-C253 PolarHBondContact O-N 3.04Å
252G47.3Very low49.2Very low56 Ų56129.5 Ų129.558%0.57768%0.679SS**THydrogen-bonded Turntrans-74.8-24.7-175.200000116D250 R254D250-G252 VanDerWaalsContact C-N 3.31Å; D250-G252 PolarHBondContact O-N 3.49Å; G252-R254 PolarHBondContact O-N 3.47Å
253C48.3Very low49.5Very low94 Ų94126 Ų12664%0.63567%0.668SS**Hα-helixtrans-75.7-18.7-173.2-62.60000114.3S251 F256S251-C253 PolarHBondContact O-N 3.04Å; C253-F256 VanDerWaalsContact O-CB 3.28Å; C253-F256 WeakPolarHBondContact O-CB 3.47Å; C253-F256 PolarHBondContact O-N 2.87Å
254R46.8Very low49.7Very low218 Ų218125.6 Ų125.682%0.82366%0.663SS**Hα-helixtrans-75.8-26.2-175.3-67.7-168.3-170-145.94.5113.9G252 F256G252-R254 PolarHBondContact O-N 3.47Å; R254-F256 VanDerWaalsContact C-N 3.26Å
255L51.7Low49.9Very low134 Ų134120.9 Ų120.970%0.70265%0.652SS**Hα-helixtrans-72.5-24.5170.5-111.599.3000112.3F258 L259L255-F258 PolarHBondContact O-N 2.93Å; L255-L259 PolarHBondContact O-N 3.03Å
256F49.7Very low49.8Very low98 Ų98113 Ų11343%0.4363%0.632SS.*Hα-helixtrans-75.4-35.9-173.5-158.9-94.8000112.9F225 C253 R254 F258 T260F225-F256 HydrophobicContact CD1-CZ 4.28Å; F225-F256 AromaticContact CE1-CE1 3.81Å; F225-F256 HydrophobicContact CE1-CE1 3.81Å; F225-F256 AromaticContact CE1-CE2 3.54Å; F225-F256 HydrophobicContact CE1-CE2 3.54Å; F225-F256 AromaticContact CE1-CZ 3.05Å; F225-F256 HydrophobicContact CE1-CZ 3.05Å; F225-F256 AromaticContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CE2 3.97Å; F225-F256 HydrophobicContact CE2-CZ 4.33Å; F225-F256 AromaticContact CZ-CD2 3.9Å; F225-F256 HydrophobicContact CZ-CD2 3.9Å; F225-F256 AromaticContact CZ-CE1 3.89Å; F225-F256 HydrophobicContact CZ-CE1 3.89Å; F225-F256 AromaticContact CZ-CE2 3.06Å; F225-F256 HydrophobicContact CZ-CE2 3.06Å; F225-F256 AromaticContact CZ-CZ 3.09Å; F225-F256 HydrophobicContact CZ-CZ 3.09Å; C253-F256 VanDerWaalsContact O-CB 3.28Å; C253-F256 WeakPolarHBondContact O-CB 3.47Å; C253-F256 PolarHBondContact O-N 2.87Å; R254-F256 VanDerWaalsContact C-N 3.26Å; F256-F258 VanDerWaalsContact C-N 3.3Å; F256-T260 HydrophobicContact CD1-CG2 4.43Å; F256-T260 HydrophobicContact CE1-CG2 4.45Å; F256-T260 PolarHBondContact O-N 3.31Å; F256-T260 PolarHBondContact O-OG1 3.49Å
257E52.8Low49.8Very low145 Ų145108.2 Ų108.268%0.67862%0.621SS**Hα-helixtrans-67.4-31.2172.1-72.1-152.9150.600112.3T260 T261E257-T260 PolarHBondContact O-OG1 3.09Å; E257-T261 VanDerWaalsContact O-CB 3.24Å; E257-T261 WeakPolarHBondContact O-CB 3.19Å; E257-T261 PolarHBondContact O-N 3.16Å; E257-T261 PolarHBondContact O-OG1 3.23Å
258F51.5Low50.1Low158 Ų158108 Ų10869%0.69362%0.615SS**Hα-helixtrans-71.5-40.7179.3-111.8-90.4000112.7L255 F256 T262L255-F258 PolarHBondContact O-N 2.93Å; F256-F258 VanDerWaalsContact C-N 3.3Å; F258-T262 PolarHBondContact O-N 3.28Å; F258-T262 PolarHBondContact O-OG1 2.79Å
259L55.4Low50Low109 Ų109112.6 Ų112.657%0.57162%0.619SS**Hα-helixtrans-75.3-39.2179.4-93.386.5000113.1L255 T262 I263L255-L259 PolarHBondContact O-N 3.03Å; L259-T262 PolarHBondContact O-N 3.36Å; L259-I263 WeakPolarHBondContact O-CG1 2.9Å; L259-I263 PolarHBondContact O-N 3.01Å
260T56.5Low50.1Low57 Ų57116.7 Ų116.735%0.3562%0.624SS.*Hα-helixtrans-67.9-39.3179.544.20000111.9F256 E257 T262 I263 V264F256-T260 HydrophobicContact CD1-CG2 4.43Å; F256-T260 HydrophobicContact CE1-CG2 4.45Å; F256-T260 PolarHBondContact O-N 3.31Å; F256-T260 PolarHBondContact O-OG1 3.49Å; E257-T260 PolarHBondContact O-OG1 3.09Å; T260-T262 VanDerWaalsContact C-N 3.32Å; T260-T262 PolarHBondContact O-N 3.02Å; T260-I263 PolarHBondContact O-N 2.96Å; T260-V264 VanDerWaalsContact O-CG2 3.32Å; T260-V264 WeakPolarHBondContact O-CG2 3.32Å; T260-V264 PolarHBondContact O-N 3.22Å
261T52.6Low50.2Low78 Ų78116.4 Ų116.448%0.47962%0.622SS.*Hα-helixtrans-64.6-35.9175.8-570000112E257 L265E257-T261 VanDerWaalsContact O-CB 3.24Å; E257-T261 WeakPolarHBondContact O-CB 3.19Å; E257-T261 PolarHBondContact O-N 3.16Å; E257-T261 PolarHBondContact O-OG1 3.23Å; T261-L265 HydrophobicContact CG2-CD1 3.65Å; T261-L265 WeakPolarHBondContact O-CB 3.08Å; T261-L265 WeakPolarHBondContact O-CD1 3.21Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.16Å; T261-L265 VanDerWaalsContact O-N 3.1Å
262T55.2Low49.6Very low91 Ų91119.9 Ų119.956%0.55865%0.646SS**Hα-helixtrans-72.9-36.3-179.2-50.30000112.7F258 L259 T260 G266F258-T262 PolarHBondContact O-N 3.28Å; F258-T262 PolarHBondContact O-OG1 2.79Å; L259-T262 PolarHBondContact O-N 3.36Å; T260-T262 VanDerWaalsContact C-N 3.32Å; T260-T262 PolarHBondContact O-N 3.02Å; T262-G266 PolarHBondContact O-N 3.3Å
263I55.3Low49.7Very low107 Ų107123.1 Ų123.155%0.54965%0.649SS.*Hα-helixtrans-74.5-36.2179.4-65.5168.7000111.5L259 T260 S267L259-I263 WeakPolarHBondContact O-CG1 2.9Å; L259-I263 PolarHBondContact O-N 3.01Å; T260-I263 PolarHBondContact O-N 2.96Å; I263-S267 PolarHBondContact O-OG 3.42Å
264V54.2Low49.8Very low102 Ų102124.6 Ų124.662%0.61865%0.65SS**Hα-helixtrans-71.7-38.7177.3175.60000111.5T260T260-V264 VanDerWaalsContact O-CG2 3.32Å; T260-V264 WeakPolarHBondContact O-CG2 3.32Å; T260-V264 PolarHBondContact O-N 3.22Å
265L52.3Low49.9Very low103 Ų103119.4 Ų119.454%0.53964%0.64SS.*Hα-helixtrans-77.2-25.2176.7-74.6164.3000113.8T261 S267 T268T261-L265 HydrophobicContact CG2-CD1 3.65Å; T261-L265 WeakPolarHBondContact O-CB 3.08Å; T261-L265 WeakPolarHBondContact O-CD1 3.21Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.16Å; T261-L265 VanDerWaalsContact O-N 3.1Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-T268 PolarHBondContact O-OG1 3.28Å
266G45Very low49.8Very low49 Ų49118.5 Ų118.551%0.50564%0.636SS.*Hα-helixtrans-70.5-27.3176.200000113.7T262T262-G266 PolarHBondContact O-N 3.3Å
267S45.9Very low49.9Very low80 Ų80119.8 Ų119.856%0.55965%0.649SS**Hα-helixtrans-86-21.9-176-62.80000113.8I263 L265I263-S267 PolarHBondContact O-OG 3.42Å; L265-S267 VanDerWaalsContact C-N 3.32Å
268T48.2Very low49.7Very low94 Ų94118.1 Ų118.158%0.57765%0.648SS**Hα-helixtrans-83.1-19.1179.848.40000113.3L265L265-T268 PolarHBondContact O-OG1 3.28Å
269K45.4Very low49.5Very low183 Ų183115.3 Ų115.380%0.79664%0.644SS**THydrogen-bonded Turntrans-83.1-4178.7-75.8-177.5176.5179.50115.5
270R44.8Very low49.1Very low232 Ų232115.8 Ų115.888%0.87565%0.65SS**THydrogen-bonded Turntrans-104.69.2176.8-100.2-175.7-157.3-156.65.8114.7
271L44.3Very low48.5Very low146 Ų146120.7 Ų120.776%0.76468%0.675SS**  trans-124.860.6178.9-75.5159000109.8
272S38.5Very low48.1Very low183 Ų183124.5 Ų124.5100%1.2869%0.693SS**  trans-1380158-179.10000108.1

Retrieved 272 of 272 residues in 119 ms (Link to these results)