A0A087YEC1_POEFO Loading...

Ankyrin repeat and SOCS box containing 15b

AlphaFold DB , UniProt , Accession A0A087YEC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 599 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
1M27.4Very low27.1Very low246 Ų246168.5 Ų168.5100%1.21283%0.828SS**  0360-82178.4-97.900110.7
2E24.4Very low27.1Very low198 Ų198164.3 Ų164.393%0.92583%0.828SS**  trans-113.198.3169.2-77.4176.6150.700106.9
3A23.4Very low27.1Very low95 Ų95164.2 Ų164.279%0.78583%0.829SS**  trans-161.152.7169.200000110.2
4T29Very low27.3Very low131 Ų131161.1 Ų161.180%0.80482%0.823SS**  trans-156.559.617221.10000110.8
5R31.2Very low27.3Very low186 Ų186158.5 Ų158.570%0.70282%0.821SS**  trans-133.6146.8150.1-85.2-175.8179-178.4-1.3105.9
6W25.9Very low27.4Very low228 Ų228156.5 Ų156.586%0.86482%0.818SS**  trans86.583.7-176.7-47.298.3000116.2
7R25.9Very low27.6Very low233 Ų233159 Ų15988%0.87983%0.825SS**  -165.2144127-102.5168.6-150.3-143.96.6110
8H30.6Very low27.6Very low166 Ų166160.1 Ų160.177%0.76983%0.828SS**  trans97.274178.6-54-62.9000117
9Q26.6Very low27.6Very low151 Ų151161.2 Ų161.271%0.70683%0.829SS**  trans-118.1119.8132-78.2-176.3-3.900107.7
10G26.7Very low27.7Very low78 Ų78161.1 Ų161.180%0.80483%0.83SS**  trans-140.487.3169.200000107.3
11H26.9Very low27.7Very low142 Ų142162 Ų16266%0.65784%0.835SS**  trans-77123.5172.5-77.6-62000109.5I26H11-I26 WeakPolarHBondContact NE2-CD1 3.25Å
12S26.7Very low27.8Very low118 Ų118159.1 Ų159.183%0.82582%0.819SS**  trans-136.198.6155.567.30000108.8
13L27.4Very low28.4Very low162 Ų162157.9 Ų157.985%0.84881%0.813SS**  trans-97.5135.4170.4-72.9166.6000109.4
14T30.6Very low29Very low122 Ų122162.7 Ų162.775%0.74882%0.82SS**  trans-82.7147173.145.90000111.3T16T14-T16 PolarHBondContact O-N 3.14Å; T14-T16 VanDerWaalsContact O-N 3.09Å
15P27.5Very low29.4Very low121 Ų121159.7 Ų159.779%0.78681%0.814SS**THydrogen-bonded Turntrans-85.279.3-17133-34000111.9
16T28.9Very low30.1Very low127 Ų127155.3 Ų155.378%0.77980%0.804SS**THydrogen-bonded Turntrans-162.110.2165.92.70000118.1T14T14-T16 PolarHBondContact O-N 3.14Å; T14-T16 VanDerWaalsContact O-N 3.09Å
17E29.4Very low31.4Very low199 Ų199147.7 Ų147.793%0.9378%0.78SS**  trans-132.354174.2-67-178.9164.900110.3
18M28.1Very low32.4Very low179 Ų179144.2 Ų144.288%0.88277%0.774SS**  trans-108.323.8-172.2-147.5-175.975.400113.5
19E28.2Very low33.6Very low181 Ų181141 Ų14185%0.84676%0.759SS**SBendtrans-135122.3173-68.8-179.4167.200107.6
20D29.3Very low34.8Very low158 Ų158136.2 Ų136.285%0.84574%0.738SS**SBendtrans95.848.4173.5-52.9-19.2000119.3
21L26.9Very low36.1Very low181 Ų181136.2 Ų136.295%0.94872%0.719SS**  trans-148.497.9148.6-84.4177.7000110Q23L21-Q23 PolarHBondContact O-N 3.43Å
22E30.5Very low37.4Very low186 Ų186135.6 Ų135.687%0.86972%0.716SS**  trans-63.6121172.8-72177.1150.500111.2
23Q36.4Very low38.8Very low171 Ų171132.3 Ų132.380%0.79969%0.689SS**  trans43.398.1143-81.1150.1-32.300119.6L21L21-Q23 PolarHBondContact O-N 3.43Å
24E36.1Very low40.2Very low197 Ų197126.4 Ų126.492%0.92166%0.664SS**  trans-146.777.6130.6-105.8175.8-15900107.3
25G37.4Very low41.4Very low67 Ų67124.7 Ų124.769%0.69165%0.649SS**  trans-67.6148.3178.300000111.4N27G25-N27 PolarHBondContact O-N 2.76Å
26I45.5Very low42.6Very low94 Ų94123.8 Ų123.848%0.48264%0.637SS.*SBendtrans-40.4116.9163-64.1162.3000107.9H11 E28 I31H11-I26 WeakPolarHBondContact NE2-CD1 3.25Å; I26-E28 PolarHBondContact O-N 3.33Å; I26-I31 HydrophobicContact CG2-CD1 4.01Å
27N53Low43.9Very low68 Ų68123.9 Ų123.936%0.36463%0.629SS.*  trans-54.6105.7-169-154.311.3000109.8G25 E29 L30 I31G25-N27 PolarHBondContact O-N 2.76Å; N27-E29 PolarHBondContact O-N 3.08Å; N27-E29 VanDerWaalsContact O-N 3.09Å; N27-L30 HydrophobicContact CB-CB 4.28Å; N27-L30 HydrophobicContact CB-CD1 3.95Å; N27-L30 HydrophobicContact CB-CG 4.31Å; N27-L30 WeakPolarHBondContact O-CB 3.46Å; N27-L30 PolarHBondContact O-N 2.86Å; N27-I31 PolarHBondContact O-N 3.31Å
28E48.4Very low45Very low161 Ų161118.4 Ų118.475%0.75261%0.612SS**Hα-helixtrans-54.3-29.5177.7-74.9176.2156.700110.7I26 L30 I31 E32I26-E28 PolarHBondContact O-N 3.33Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 2.97Å; E28-I31 PolarHBondContact O-N 3.08Å; E28-E32 PolarHBondContact O-N 3.31Å
29E54.1Low46.2Very low97 Ų97113.5 Ų113.545%0.45359%0.589SS.*Hα-helixtrans-58-37.9171.7-64-17516700113.4N27 L33 K194N27-E29 PolarHBondContact O-N 3.08Å; N27-E29 VanDerWaalsContact O-N 3.09Å; E29-L33 VanDerWaalsContact O-CB 3.31Å; E29-L33 WeakPolarHBondContact O-CB 3.33Å; E29-L33 WeakPolarHBondContact O-CD1 3.46Å; E29-L33 WeakPolarHBondContact O-CG 3.22Å; E29-L33 PolarHBondContact O-N 3.27Å; E29-K194 IonicContact OE2-NZ 3.59Å; E29-K194 PolarHBondContact OE2-NZ 2.78Å
30L52.9Low47.4Very low51 Ų51110 Ų11027%0.26757%0.572SS.*Hα-helixtrans-72.9-34.4179.7-89.8163.2000111.8N27 E28 A34N27-L30 HydrophobicContact CB-CB 4.28Å; N27-L30 HydrophobicContact CB-CD1 3.95Å; N27-L30 HydrophobicContact CB-CG 4.31Å; N27-L30 WeakPolarHBondContact O-CB 3.46Å; N27-L30 PolarHBondContact O-N 2.86Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 2.97Å; L30-A34 WeakPolarHBondContact O-CB 3.46Å; L30-A34 PolarHBondContact O-N 3.35Å
31I55Low48.3Very low79 Ų79107.6 Ų107.641%0.40556%0.56SS.*Hα-helixtrans-71.9-43.9174.7-65.5174.3000109.3I26 N27 E28 L33 A34 I35I26-I31 HydrophobicContact CG2-CD1 4.01Å; N27-I31 PolarHBondContact O-N 3.31Å; E28-I31 PolarHBondContact O-N 3.08Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 2.9Å; I31-A34 PolarHBondContact O-N 2.95Å; I31-I35 HydrophobicContact CG2-CD1 3.58Å; I31-I35 HydrophobicContact CG2-CG1 4.31Å; I31-I35 VanDerWaalsContact O-CB 3.27Å; I31-I35 WeakPolarHBondContact O-CB 3.44Å; I31-I35 WeakPolarHBondContact O-CD1 3.39Å; I31-I35 WeakPolarHBondContact O-CG1 3.35Å; I31-I35 PolarHBondContact O-N 3.17Å
32E53.7Low49.1Very low128 Ų128102.7 Ų102.760%0.59855%0.545SS*.Hα-helixtrans-59.8-41.1172.9-81.7-170151.200112.3E28 I35 L36E28-E32 PolarHBondContact O-N 3.31Å; E32-I35 PolarHBondContact O-N 3.45Å; E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 VanDerWaalsContact O-CG 3.23Å; E32-L36 WeakPolarHBondContact O-CG 3.5Å; E32-L36 PolarHBondContact O-N 3.31Å
33L55.8Low49.7Very low49 Ų49102.9 Ų102.926%0.25754%0.54SS..Hα-helixtrans-64.9-45177-80.4161.8000112.6E29 I31 I35 L36 E37E29-L33 VanDerWaalsContact O-CB 3.31Å; E29-L33 WeakPolarHBondContact O-CB 3.33Å; E29-L33 WeakPolarHBondContact O-CD1 3.46Å; E29-L33 WeakPolarHBondContact O-CG 3.22Å; E29-L33 PolarHBondContact O-N 3.27Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 2.9Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.39Å; L33-L36 PolarHBondContact O-N 3.45Å; L33-E37 PolarHBondContact O-N 2.95Å
34A55.7Low50.2Low38 Ų38102.3 Ų102.331%0.31453%0.534SS..Hα-helixtrans-66-35.1175.800000112.1L30 I31 S38L30-A34 WeakPolarHBondContact O-CB 3.46Å; L30-A34 PolarHBondContact O-N 3.35Å; I31-A34 PolarHBondContact O-N 2.95Å; A34-S38 WeakPolarHBondContact O-CB 3.21Å; A34-S38 PolarHBondContact O-N 3.34Å
35I56.3Low50.2Low86 Ų8698 Ų9844%0.44153%0.525SS..Hα-helixtrans-66.5-41.6172.8-72.1169000110.3I31 E32 L33 S38 I39I31-I35 HydrophobicContact CG2-CD1 3.58Å; I31-I35 HydrophobicContact CG2-CG1 4.31Å; I31-I35 VanDerWaalsContact O-CB 3.27Å; I31-I35 WeakPolarHBondContact O-CB 3.44Å; I31-I35 WeakPolarHBondContact O-CD1 3.39Å; I31-I35 WeakPolarHBondContact O-CG1 3.35Å; I31-I35 PolarHBondContact O-N 3.17Å; E32-I35 PolarHBondContact O-N 3.45Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.39Å; I35-S38 PolarHBondContact O-N 2.93Å; I35-I39 HydrophobicContact CG2-CD1 3.4Å; I35-I39 VanDerWaalsContact CG2-CD1 3.4Å; I35-I39 HydrophobicContact CG2-CG1 4.1Å; I35-I39 VanDerWaalsContact O-CB 3.24Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 WeakPolarHBondContact O-CG1 3.47Å; I35-I39 PolarHBondContact O-N 3.42Å
36L53.6Low50.4Low102 Ų102100.4 Ų100.453%0.53453%0.531SS..Hα-helixtrans-65-41.4177.5-76.6167.4000112.6E32 L33 I39 Q40E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 VanDerWaalsContact O-CG 3.23Å; E32-L36 WeakPolarHBondContact O-CG 3.5Å; E32-L36 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 3.45Å; L36-I39 PolarHBondContact O-N 3.36Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 PolarHBondContact O-N 3.44Å
37E54.8Low49.7Very low129 Ų129102.2 Ų102.260%0.60355%0.546SS*.Hα-helixtrans-61.8-46.3172.2-79.7-173154.600111.3L33 I39 Q40 D41L33-E37 PolarHBondContact O-N 2.95Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.38Å; E37-Q40 PolarHBondContact O-N 3.03Å; E37-D41 PolarHBondContact O-N 2.9Å; E37-D41 VanDerWaalsContact O-N 3.07Å
38S53.6Low48.9Very low84 Ų84104.5 Ų104.559%0.58757%0.565SS**Hα-helixtrans-67.1-31.3178.6-168.20000112.8A34 I35 A42A34-S38 WeakPolarHBondContact O-CB 3.21Å; A34-S38 PolarHBondContact O-N 3.34Å; I35-S38 PolarHBondContact O-N 2.93Å; S38-A42 VanDerWaalsContact O-CB 3.24Å; S38-A42 WeakPolarHBondContact O-CB 3.24Å; S38-A42 PolarHBondContact O-N 3.3Å; S38-A42 VanDerWaalsContact O-N 3.08Å
39I53.4Low48.4Very low76 Ų76105.7 Ų105.739%0.3957%0.57SS.*Hα-helixtrans-73-43174.7-74.2172.4000110.1I35 L36 E37 D41 A42 Y43I35-I39 HydrophobicContact CG2-CD1 3.4Å; I35-I39 VanDerWaalsContact CG2-CD1 3.4Å; I35-I39 HydrophobicContact CG2-CG1 4.1Å; I35-I39 VanDerWaalsContact O-CB 3.24Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 WeakPolarHBondContact O-CG1 3.47Å; I35-I39 PolarHBondContact O-N 3.42Å; L36-I39 PolarHBondContact O-N 3.36Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.38Å; I39-D41 VanDerWaalsContact C-N 3.32Å; I39-D41 PolarHBondContact O-N 3.25Å; I39-A42 PolarHBondContact O-N 3.29Å; I39-Y43 HydrophobicContact CG2-CD2 3.6Å; I39-Y43 HydrophobicContact CG2-CE2 3.85Å; I39-Y43 WeakPolarHBondContact O-CB 3.44Å; I39-Y43 VanDerWaalsContact O-CD2 3.31Å; I39-Y43 WeakPolarHBondContact O-CD2 3.43Å; I39-Y43 PolarHBondContact O-N 2.88Å
40Q53.9Low47.5Very low107 Ų107111.6 Ų111.650%0.559%0.59SS.*Hα-helixtrans-63-36.4177-93.8-178.6-20.100112.7L36 E37L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 PolarHBondContact O-N 3.44Å; E37-Q40 PolarHBondContact O-N 3.03Å
41D46.8Very low46.6Very low109 Ų109121 Ų12158%0.58362%0.622SS**Hα-helixtrans-74.1-32.5173.6-90.3-22.3000113.1E37 I39 K44E37-D41 PolarHBondContact O-N 2.9Å; E37-D41 VanDerWaalsContact O-N 3.07Å; I39-D41 VanDerWaalsContact C-N 3.32Å; I39-D41 PolarHBondContact O-N 3.25Å; D41-K44 IonicContact OD1-NZ 3.3Å; D41-K44 PolarHBondContact OD1-NZ 3.05Å
42A43.5Very low46.3Very low78 Ų78123.8 Ų123.865%0.64563%0.631SS**Hα-helixtrans-73.8-28176.200000113.7S38 I39 K44S38-A42 VanDerWaalsContact O-CB 3.24Å; S38-A42 WeakPolarHBondContact O-CB 3.24Å; S38-A42 PolarHBondContact O-N 3.3Å; S38-A42 VanDerWaalsContact O-N 3.08Å; I39-A42 PolarHBondContact O-N 3.29Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.95Å
43Y44.2Very low46.3Very low190 Ų190125.9 Ų125.975%0.74564%0.641SS**THydrogen-bonded Turntrans-89.617-179.8-85.7-87000114.7I39 C45I39-Y43 HydrophobicContact CG2-CD2 3.6Å; I39-Y43 HydrophobicContact CG2-CE2 3.85Å; I39-Y43 WeakPolarHBondContact O-CB 3.44Å; I39-Y43 VanDerWaalsContact O-CD2 3.31Å; I39-Y43 WeakPolarHBondContact O-CD2 3.43Å; I39-Y43 PolarHBondContact O-N 2.88Å; Y43-C45 PolarHBondContact O-N 3.39Å; Y43-C45 VanDerWaalsContact O-N 3.09Å
44K47.2Very low46.9Very low159 Ų159129.6 Ų129.669%0.69167%0.668SS**SBendtrans-68.75.3170.3-87.4171.8-178.7153.90114.8D41 A42D41-K44 IonicContact OD1-NZ 3.3Å; D41-K44 PolarHBondContact OD1-NZ 3.05Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.95Å
45C35.9Very low48Very low107 Ų107130.5 Ų130.572%0.72367%0.667SS**SBendtrans-134.7133.4170.4-95.40000115.4Y43Y43-C45 PolarHBondContact O-N 3.39Å; Y43-C45 VanDerWaalsContact O-N 3.09Å
46S41.2Very low49.4Very low116 Ų116128.1 Ų128.181%0.81166%0.659SS**  trans70.581.6163.753.80000119.2
47V31.5Very low51Low133 Ų133129.8 Ų129.881%0.80666%0.664SS**  trans-98.2132.7137.5-1710000107.4E49V47-E49 PolarHBondContact O-N 2.92Å
48P36.4Very low52.6Low116 Ų116126.4 Ų126.475%0.75365%0.65SS**  trans-60.8132.5-179.3-19.730.6000111.8Y50P48-Y50 PolarHBondContact O-N 2.91Å
49E37.4Very low54.3Low186 Ų186122.7 Ų122.787%0.86962%0.623SS**  trans-56.6103.4173.6-73.6177.6147.100110.3V47 W51V47-E49 PolarHBondContact O-N 2.92Å; E49-W51 PolarHBondContact O-N 3.06Å
50Y35Very low56Low221 Ų221124.7 Ų124.787%0.86763%0.632SS**  trans-67.6121.2160.9-140.1-93.3000106.8P48 K52P48-Y50 PolarHBondContact O-N 2.91Å; Y50-K52 PolarHBondContact O-N 3.1Å
51W34.4Very low57.7Low247 Ų247123.8 Ų123.894%0.93663%0.626SS**  trans-51.892.1-175.7-63.268.9000111.3E49E49-W51 PolarHBondContact O-N 3.06Å
52K48.6Very low59.8Low139 Ų139118.6 Ų118.660%0.60460%0.599SS**PPolyproline II helixtrans-69.3131.5165.7-84.3-171.6174.5-171.70107.3Y50 S87Y50-K52 PolarHBondContact O-N 3.1Å; K52-S87 PolarHBondContact NZ-OG 2.94Å
53Q54.3Low62.1Low172 Ų172115.8 Ų115.880%0.80457%0.572SS**PPolyproline II helixtrans-54.9143.7169.8-71.7-178.2-1100109.3N55Q53-N55 PolarHBondContact O-N 3.29Å
54P68.5Low64.4Low126 Ų126110 Ų11082%0.81856%0.557SS**PPolyproline II helixtrans-57.4131.517822.7-31.7000109.8
55N77.9Confident66.5Low57 Ų57102.7 Ų102.731%0.30553%0.527SS..PPolyproline II helixtrans-55.3145.1179.2-67.53.1000110.3Q53 F59 E86 S87Q53-N55 PolarHBondContact O-N 3.29Å; N55-F59 HydrophobicContact CB-CB 4.48Å; N55-F59 HydrophobicContact CB-CD1 3.61Å; N55-F59 HydrophobicContact CB-CE1 4.23Å; N55-F59 HydrophobicContact CB-CG 4.29Å; N55-F59 VanDerWaalsContact ND2-CD1 3.34Å; N55-F59 WeakPolarHBondContact ND2-CD1 3.31Å; N55-F59 WeakPolarHBondContact ND2-CE1 3.34Å; N55-E86 VanDerWaalsContact CA-OE2 3.23Å; N55-E86 WeakPolarHBondContact CA-OE2 3.26Å; N55-E86 WeakPolarHBondContact CB-OE2 3.39Å; N55-S87 PolarHBondContact ND2-O 3.28Å
56S85.6Confident69.2Low37 Ų3797.6 Ų97.626%0.25949%0.492SS..PPolyproline II helixtrans-63.4152-177.774.10000111.8N58 F59 M60 E86S56-N58 PolarHBondContact O-N 3.21Å; S56-F59 WeakPolarHBondContact O-CB 3.41Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F59 VanDerWaalsContact O-N 3.09Å; S56-F59 PolarHBondContact OG-N 3.34Å; S56-M60 PolarHBondContact O-N 2.87Å; S56-M60 VanDerWaalsContact O-N 3.12Å; S56-E86 WeakPolarHBondContact CB-OE1 3.48Å; S56-E86 PolarHBondContact N-OE2 3.14Å; S56-E86 PolarHBondContact OG-OE1 2.92Å
57E87.1Confident71.4Confident136 Ų13696.3 Ų96.364%0.63648%0.476SS*.Hα-helixtrans-57.6-32174-164.9-170.5156.400111.4M60 K61E57-M60 PolarHBondContact O-N 2.97Å; E57-K61 VanDerWaalsContact O-CG 3.31Å; E57-K61 WeakPolarHBondContact O-CG 3.44Å; E57-K61 PolarHBondContact O-N 3.35Å; E57-K61 WeakPolarHBondContact OE1-CE 3.43Å; E57-K61 IonicContact OE1-NZ 2.68Å; E57-K61 PolarHBondContact OE1-NZ 2.94Å
58N87.6Confident74.2Confident59 Ų5998.2 Ų98.232%0.31647%0.473SS..Hα-helixtrans-69.6-40.4176.7-68.9-24.2000112S56 K61 I62 C80 A83S56-N58 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact O-N 3.08Å; N58-I62 WeakPolarHBondContact O-CB 3.3Å; N58-I62 VanDerWaalsContact O-CG1 3.25Å; N58-I62 WeakPolarHBondContact O-CG1 3.38Å; N58-I62 PolarHBondContact O-N 3.03Å; N58-C80 HydrophobicContact CB-CB 4.29Å; N58-A83 HydrophobicContact CB-CB 3.93Å
59F89.4Confident76.8Confident5 Ų593.1 Ų93.12%0.02244%0.442CS..Hα-helixtrans-60.2-45.9172.8171.9-95.8000111.3N55 S56 K61 I62 M63 A83 E86 D88 P94N55-F59 HydrophobicContact CB-CB 4.48Å; N55-F59 HydrophobicContact CB-CD1 3.61Å; N55-F59 HydrophobicContact CB-CE1 4.23Å; N55-F59 HydrophobicContact CB-CG 4.29Å; N55-F59 VanDerWaalsContact ND2-CD1 3.34Å; N55-F59 WeakPolarHBondContact ND2-CD1 3.31Å; N55-F59 WeakPolarHBondContact ND2-CE1 3.34Å; S56-F59 WeakPolarHBondContact O-CB 3.41Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F59 VanDerWaalsContact O-N 3.09Å; S56-F59 PolarHBondContact OG-N 3.34Å; F59-K61 VanDerWaalsContact C-N 3.33Å; F59-K61 PolarHBondContact O-N 3.04Å; F59-I62 PolarHBondContact O-N 3.23Å; F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CD2-CG 4.14Å; F59-M63 HydrophobicContact CE1-CG 3.7Å; F59-M63 HydrophobicContact CE2-CG 3.7Å; F59-M63 HydrophobicContact CE2-SD 3.94Å; F59-M63 HydrophobicContact CG-CG 4.39Å; F59-M63 HydrophobicContact CZ-CG 3.47Å; F59-M63 VanDerWaalsContact CZ-CG 3.47Å; F59-M63 HydrophobicContact CZ-SD 3.96Å; F59-M63 WeakPolarHBondContact O-CG 3.25Å; F59-M63 PolarHBondContact O-N 3.42Å; F59-A83 HydrophobicContact CB-CB 4.33Å; F59-A83 WeakPolarHBondContact CD2-O 3.07Å; F59-E86 HydrophobicContact CB-CB 4.08Å; F59-E86 HydrophobicContact CD2-CB 3.47Å; F59-E86 VanDerWaalsContact CD2-CB 3.47Å; F59-E86 HydrophobicContact CE2-CB 3.99Å; F59-E86 WeakPolarHBondContact CE2-O 3.48Å; F59-E86 HydrophobicContact CG-CB 3.79Å; F59-D88 HydrophobicContact CE1-CB 4.45Å; F59-D88 HydrophobicContact CZ-CB 4.15Å; F59-P94 HydrophobicContact CD2-CG 4.17Å; F59-P94 HydrophobicContact CE2-CG 4.05Å
60M89.3Confident79.4Confident119 Ų11987.7 Ų87.759%0.58642%0.419SS*.Hα-helixtrans-59.8-42.2176.9-68.9-83.6-8200111.7S56 E57 T64S56-M60 PolarHBondContact O-N 2.87Å; S56-M60 VanDerWaalsContact O-N 3.12Å; E57-M60 PolarHBondContact O-N 2.97Å; M60-T64 WeakPolarHBondContact O-CB 3.4Å; M60-T64 VanDerWaalsContact O-CG2 3.27Å; M60-T64 WeakPolarHBondContact O-CG2 3.49Å; M60-T64 PolarHBondContact O-N 3.38Å; M60-T64 PolarHBondContact O-OG1 2.9Å
61K90.4Very high82.1Confident87 Ų8779.3 Ų79.338%0.37839%0.391SS..Hα-helixtrans-65.2-40.7174.9-73.6171.9-176.4166.90112.7E57 N58 F59 T64 A65 L77E57-K61 VanDerWaalsContact O-CG 3.31Å; E57-K61 WeakPolarHBondContact O-CG 3.44Å; E57-K61 PolarHBondContact O-N 3.35Å; E57-K61 WeakPolarHBondContact OE1-CE 3.43Å; E57-K61 IonicContact OE1-NZ 2.68Å; E57-K61 PolarHBondContact OE1-NZ 2.94Å; N58-K61 PolarHBondContact O-N 3.08Å; F59-K61 VanDerWaalsContact C-N 3.33Å; F59-K61 PolarHBondContact O-N 3.04Å; K61-T64 WeakPolarHBondContact CA-OG1 3.44Å; K61-T64 PolarHBondContact O-OG1 3.09Å; K61-A65 WeakPolarHBondContact O-CB 3.29Å; K61-A65 PolarHBondContact O-N 2.99Å; K61-L77 HydrophobicContact CB-CD1 3.8Å
62I91.1Very high84.7Confident0 Ų070.6 Ų70.60%037%0.371CS..Hα-helixtrans-62.3-50.6175.7-73.1165.2000110.4N58 F59 T64 A65 I66 L74 L77 A83 F84 P94N58-I62 WeakPolarHBondContact O-CB 3.3Å; N58-I62 VanDerWaalsContact O-CG1 3.25Å; N58-I62 WeakPolarHBondContact O-CG1 3.38Å; N58-I62 PolarHBondContact O-N 3.03Å; F59-I62 PolarHBondContact O-N 3.23Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 3.27Å; I62-A65 WeakPolarHBondContact O-CB 3.31Å; I62-A65 PolarHBondContact O-N 3.34Å; I62-I66 HydrophobicContact CG2-CD1 3.76Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 2.49Å; I62-L74 HydrophobicContact CG2-CD1 3.85Å; I62-L77 HydrophobicContact CD1-CB 4.42Å; I62-L77 HydrophobicContact CG1-CB 3.84Å; I62-L77 HydrophobicContact CG1-CD1 3.99Å; I62-L77 HydrophobicContact CG1-CG 4.48Å; I62-A83 HydrophobicContact CD1-CB 3.65Å; I62-F84 HydrophobicContact CD1-CD2 4.18Å; I62-F84 HydrophobicContact CD1-CE1 4.22Å; I62-F84 HydrophobicContact CD1-CE2 3.78Å; I62-F84 HydrophobicContact CD1-CZ 3.81Å; I62-F84 HydrophobicContact CG1-CZ 4.34Å; I62-F84 HydrophobicContact CG2-CE1 4.12Å; I62-P94 HydrophobicContact CG2-CB 3.74Å; I62-P94 HydrophobicContact CG2-CG 3.77Å
63M90.9Very high86.7Confident19 Ų1965.2 Ų65.29%0.09435%0.353CS..Hα-helixtrans-62.4-41.8-179.8-67-59.9-68.700111.8F59 A65 I66 D67 P94 A97F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CD2-CG 4.14Å; F59-M63 HydrophobicContact CE1-CG 3.7Å; F59-M63 HydrophobicContact CE2-CG 3.7Å; F59-M63 HydrophobicContact CE2-SD 3.94Å; F59-M63 HydrophobicContact CG-CG 4.39Å; F59-M63 HydrophobicContact CZ-CG 3.47Å; F59-M63 VanDerWaalsContact CZ-CG 3.47Å; F59-M63 HydrophobicContact CZ-SD 3.96Å; F59-M63 WeakPolarHBondContact O-CG 3.25Å; F59-M63 PolarHBondContact O-N 3.42Å; M63-A65 PolarHBondContact O-N 3.13Å; M63-I66 PolarHBondContact O-N 3.11Å; M63-I66 HydrophobicContact SD-CD1 4.29Å; M63-D67 WeakPolarHBondContact O-CB 3.36Å; M63-D67 PolarHBondContact O-N 3.41Å; M63-P94 HydrophobicContact SD-CB 4.38Å; M63-P94 HydrophobicContact SD-CG 4.1Å; M63-A97 HydrophobicContact CE-CB 3.76Å; M63-A97 HydrophobicContact SD-CB 4.26Å
64T91.9Very high88.4Confident69 Ų6957 Ų5742%0.42331%0.314SS..Hα-helixtrans-66.7-34.5175.552.50000113.3M60 K61 I62 D67 K68M60-T64 WeakPolarHBondContact O-CB 3.4Å; M60-T64 VanDerWaalsContact O-CG2 3.27Å; M60-T64 WeakPolarHBondContact O-CG2 3.49Å; M60-T64 PolarHBondContact O-N 3.38Å; M60-T64 PolarHBondContact O-OG1 2.9Å; K61-T64 WeakPolarHBondContact CA-OG1 3.44Å; K61-T64 PolarHBondContact O-OG1 3.09Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 3.27Å; T64-D67 PolarHBondContact O-N 3.1Å; T64-K68 WeakPolarHBondContact O-CB 3.49Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.91Å
65A92.3Very high89.4Confident6 Ų655 Ų555%0.0529%0.294CS..Hα-helixtrans-65.1-42.8172.300000111.2K61 I62 M63 K68 G69 D70 A73 L74K61-A65 WeakPolarHBondContact O-CB 3.29Å; K61-A65 PolarHBondContact O-N 2.99Å; I62-A65 WeakPolarHBondContact O-CB 3.31Å; I62-A65 PolarHBondContact O-N 3.34Å; M63-A65 PolarHBondContact O-N 3.13Å; A65-K68 PolarHBondContact O-N 2.98Å; A65-G69 PolarHBondContact O-N 3.22Å; A65-D70 PolarHBondContact O-N 3.01Å; A65-A73 HydrophobicContact CB-CB 4.06Å; A65-L74 HydrophobicContact CB-CB 4.42Å
66I91.6Very high89.9Confident0 Ų059.7 Ų59.70%031%0.314CS..Hα-helixtrans-61.8-44.4174.8-66.7164.3000110.8I62 M63 K68 G69 L74 P94 A97 V98I62-I66 HydrophobicContact CG2-CD1 3.76Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 2.49Å; M63-I66 PolarHBondContact O-N 3.11Å; M63-I66 HydrophobicContact SD-CD1 4.29Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.23Å; I66-G69 PolarHBondContact O-N 3.23Å; I66-G69 VanDerWaalsContact O-N 3.1Å; I66-L74 HydrophobicContact CD1-CD1 4.39Å; I66-L74 HydrophobicContact CG1-CD1 4.07Å; I66-L74 HydrophobicContact CG1-CD2 4.15Å; I66-P94 HydrophobicContact CD1-CB 3.73Å; I66-A97 HydrophobicContact CD1-CB 4.47Å; I66-A97 HydrophobicContact CG2-CB 3.9Å; I66-V98 HydrophobicContact CB-CG1 4.27Å; I66-V98 HydrophobicContact CD1-CG1 3.68Å; I66-V98 HydrophobicContact CG1-CG1 3.57Å; I66-V98 HydrophobicContact CG2-CG1 3.71Å
67D89.1Confident89.9Confident89 Ų8959.3 Ų59.348%0.47631%0.309SS..Hα-helixtrans-62.6-40.7179.7-79.4-29.7000112.7M63 T64 G69 R101M63-D67 WeakPolarHBondContact O-CB 3.36Å; M63-D67 PolarHBondContact O-N 3.41Å; T64-D67 PolarHBondContact O-N 3.1Å; D67-G69 VanDerWaalsContact C-N 3.29Å; D67-R101 PolarHBondContact O-NH1 2.89Å; D67-R101 IonicContact OD1-CZ 3.81Å; D67-R101 IonicContact OD1-NH1 3Å; D67-R101 IonicContact OD1-NH2 3.74Å; D67-R101 PolarHBondContact OD1-NH2 3.44Å
68K90.6Very high89.6Confident172 Ų17254.5 Ų54.575%0.74829%0.29SS*.Hα-helixtrans-78.8-12.9176.2-68.3176.3-178.3178.40113.3T64 A65 I66T64-K68 WeakPolarHBondContact O-CB 3.49Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.91Å; A65-K68 PolarHBondContact O-N 2.98Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.23Å
69G89.6Confident89.2Confident9 Ų956.6 Ų56.69%0.09331%0.308CS..THydrogen-bonded Turntrans69.631.2-174.700000113.7A65 I66 D67 V71 K103 M106A65-G69 PolarHBondContact O-N 3.22Å; I66-G69 PolarHBondContact O-N 3.23Å; I66-G69 VanDerWaalsContact O-N 3.1Å; D67-G69 VanDerWaalsContact C-N 3.29Å; G69-V71 PolarHBondContact O-N 3.29Å; G69-K103 PolarHBondContact O-NZ 2.84Å; G69-M106 VanDerWaalsContact CA-SD 3.55Å
70D91.8Very high88.9Confident73 Ų7357.6 Ų57.639%0.3932%0.316SS..  trans-90.595.2-177.5-171.8-16.3000111A65 A72 A73 L74A65-D70 PolarHBondContact O-N 3.01Å; D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 2.72Å; D70-A72 PolarHBondContact OD1-N 3.07Å; D70-A72 VanDerWaalsContact OD1-N 3.12Å; D70-A73 HydrophobicContact CB-CB 4.07Å; D70-A73 VanDerWaalsContact CG-CB 3.45Å; D70-A73 PolarHBondContact OD1-N 2.97Å; D70-A73 WeakPolarHBondContact OD2-CB 3.47Å; D70-L74 WeakPolarHBondContact O-CB 3.49Å; D70-L74 PolarHBondContact O-N 3.25Å; D70-L74 VanDerWaalsContact O-N 3.11Å
71V91.4Very high88.3Confident45 Ų4553.6 Ų53.627%0.27330%0.302SS..Hα-helixtrans-65.9-34.9-178.8-175.70000111.5G69 L74 Q75 E105 M106 V109G69-V71 PolarHBondContact O-N 3.29Å; V71-L74 PolarHBondContact O-N 3.44Å; V71-Q75 WeakPolarHBondContact O-CB 3.39Å; V71-Q75 PolarHBondContact O-N 3.48Å; V71-E105 HydrophobicContact CG1-CB 4.23Å; V71-E105 HydrophobicContact CG2-CB 4.15Å; V71-M106 HydrophobicContact CG2-CG 3.85Å; V71-V109 HydrophobicContact CG1-CG2 4.01Å
72A90.4Very high87.9Confident63 Ų6353.6 Ų53.652%0.52131%0.313SS..Hα-helixtrans-71.1-44-176.900000111.2D70 L74 Q75 Q76D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 2.72Å; D70-A72 PolarHBondContact OD1-N 3.07Å; D70-A72 VanDerWaalsContact OD1-N 3.12Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-Q75 PolarHBondContact O-N 3.24Å; A72-Q76 WeakPolarHBondContact O-CG 3.19Å; A72-Q76 PolarHBondContact O-N 3.3Å; A72-Q76 VanDerWaalsContact O-N 3.08Å
73A89.6Confident87.7Confident26 Ų2653.6 Ų53.622%0.21531%0.313CS..Hα-helixtrans-62.6-41.6173.300000111.5A65 D70 Q75 Q76 L77A65-A73 HydrophobicContact CB-CB 4.06Å; D70-A73 HydrophobicContact CB-CB 4.07Å; D70-A73 VanDerWaalsContact CG-CB 3.45Å; D70-A73 PolarHBondContact OD1-N 2.97Å; D70-A73 WeakPolarHBondContact OD2-CB 3.47Å; A73-Q75 PolarHBondContact O-N 2.92Å; A73-Q76 PolarHBondContact O-N 3.18Å; A73-L77 WeakPolarHBondContact O-CD1 3.47Å; A73-L77 WeakPolarHBondContact O-CG 3.3Å; A73-L77 PolarHBondContact O-N 3.24Å
74L90.4Very high87.5Confident0 Ų052.9 Ų52.90%031%0.309CS..Hα-helixtrans-63.7-39.8177-170.961.3000112.2I62 A65 I66 D70 V71 A72 L77 S78 F84 M106 V109 V110I62-L74 HydrophobicContact CG2-CD1 3.85Å; A65-L74 HydrophobicContact CB-CB 4.42Å; I66-L74 HydrophobicContact CD1-CD1 4.39Å; I66-L74 HydrophobicContact CG1-CD1 4.07Å; I66-L74 HydrophobicContact CG1-CD2 4.15Å; D70-L74 WeakPolarHBondContact O-CB 3.49Å; D70-L74 PolarHBondContact O-N 3.25Å; D70-L74 VanDerWaalsContact O-N 3.11Å; V71-L74 PolarHBondContact O-N 3.44Å; A72-L74 VanDerWaalsContact C-N 3.33Å; L74-L77 PolarHBondContact O-N 2.92Å; L74-S78 PolarHBondContact O-N 2.87Å; L74-F84 HydrophobicContact CD1-CE1 4.44Å; L74-M106 HydrophobicContact CD2-CB 3.93Å; L74-M106 HydrophobicContact CD2-CG 4.2Å; L74-V109 HydrophobicContact CD2-CB 4.31Å; L74-V109 HydrophobicContact CD2-CG1 4.41Å; L74-V109 HydrophobicContact CG-CB 4.44Å; L74-V109 HydrophobicContact CG-CG1 4Å; L74-V110 HydrophobicContact CD2-CG2 4.02Å
75Q88.8Confident87.2Confident85 Ų8556.9 Ų56.940%0.39732%0.316SS..Hα-helixtrans-64.5-39.1175.9-167.773.826.100112.2V71 A72 A73 L77 S78 V109V71-Q75 WeakPolarHBondContact O-CB 3.39Å; V71-Q75 PolarHBondContact O-N 3.48Å; A72-Q75 PolarHBondContact O-N 3.24Å; A73-Q75 PolarHBondContact O-N 2.92Å; Q75-L77 PolarHBondContact O-N 3.05Å; Q75-S78 WeakPolarHBondContact O-CB 3.37Å; Q75-S78 PolarHBondContact O-N 3.36Å; Q75-S78 PolarHBondContact O-OG 2.82Å; Q75-V109 HydrophobicContact CB-CG1 4.49Å; Q75-V109 VanDerWaalsContact OE1-CG1 3.31Å
76Q88.1Confident87.1Confident155 Ų15558.5 Ų58.572%0.72432%0.323SS*.Hα-helixtrans-65.2-30.4176.7-72.7176.9-000112.4A72 A73A72-Q76 WeakPolarHBondContact O-CG 3.19Å; A72-Q76 PolarHBondContact O-N 3.3Å; A72-Q76 VanDerWaalsContact O-N 3.08Å; A73-Q76 PolarHBondContact O-N 3.18Å
77L86.2Confident87Confident29 Ų2959.8 Ų59.815%0.15233%0.332CS..THydrogen-bonded Turntrans-89-1.3180-64.8166.9000112.9K61 I62 A73 L74 Q75 C79 C80 F84K61-L77 HydrophobicContact CB-CD1 3.8Å; I62-L77 HydrophobicContact CD1-CB 4.42Å; I62-L77 HydrophobicContact CG1-CB 3.84Å; I62-L77 HydrophobicContact CG1-CD1 3.99Å; I62-L77 HydrophobicContact CG1-CG 4.48Å; A73-L77 WeakPolarHBondContact O-CD1 3.47Å; A73-L77 WeakPolarHBondContact O-CG 3.3Å; A73-L77 PolarHBondContact O-N 3.24Å; L74-L77 PolarHBondContact O-N 2.92Å; Q75-L77 PolarHBondContact O-N 3.05Å; L77-C79 PolarHBondContact O-N 3.49Å; L77-C79 VanDerWaalsContact O-N 3.16Å; L77-C80 WeakPolarHBondContact O-CB 3.15Å; L77-C80 PolarHBondContact O-N 3.28Å; L77-F84 WeakPolarHBondContact O-CE2 3.49Å
78S81.4Confident87Confident34 Ų3456.7 Ų56.724%0.23832%0.315CS..THydrogen-bonded Turntrans-64.6-19.7-17777.70000113.7L74 Q75 C80L74-S78 PolarHBondContact O-N 2.87Å; Q75-S78 WeakPolarHBondContact O-CB 3.37Å; Q75-S78 PolarHBondContact O-N 3.36Å; Q75-S78 PolarHBondContact O-OG 2.82Å; S78-C80 VanDerWaalsContact C-N 3.31Å
79C78.4Confident86.8Confident103 Ų10353.1 Ų53.170%0.69631%0.312SS*.THydrogen-bonded Turntrans-76.7-15.6175.464.30000113.4L77 A81L77-C79 PolarHBondContact O-N 3.49Å; L77-C79 VanDerWaalsContact O-N 3.16Å; C79-A81 PolarHBondContact O-N 3.25Å
80C82.6Confident86.6Confident26 Ų2658.3 Ų58.318%0.17633%0.329CS..  trans-82.761.9-179.9-62.50000111.4N58 L77 S78 S82 A83 F84N58-C80 HydrophobicContact CB-CB 4.29Å; L77-C80 WeakPolarHBondContact O-CB 3.15Å; L77-C80 PolarHBondContact O-N 3.28Å; S78-C80 VanDerWaalsContact C-N 3.31Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.42Å; C80-A83 HydrophobicContact CB-CB 4.33Å; C80-A83 WeakPolarHBondContact O-CB 3.02Å; C80-A83 PolarHBondContact O-N 2.98Å; C80-F84 WeakPolarHBondContact O-CD2 3.36Å
81A77.8Confident86.5Confident36 Ų3655.3 Ų55.330%0.29832%0.315SS..G310 helixtrans-43-54.3-175.100000113.2C79 A83 F84 M117C79-A81 PolarHBondContact O-N 3.25Å; A81-A83 PolarHBondContact O-N 3.36Å; A81-A83 VanDerWaalsContact O-N 3.1Å; A81-F84 PolarHBondContact O-N 3.2Å; A81-M117 WeakPolarHBondContact CA-SD 3.15Å; A81-M117 HydrophobicContact CB-CE 3.61Å; A81-M117 HydrophobicContact CB-CG 3.86Å; A81-M117 HydrophobicContact CB-SD 3.43Å; A81-M117 WeakPolarHBondContact CB-SD 3.38Å; A81-M117 WeakPolarHBondContact O-CE 3.44Å
82S82.6Confident86.6Confident86 Ų8655 Ų5560%0.60131%0.309SS*.G310 helixtrans-57.2-31.4-177.159.30000114.6C80 F84 R85C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.42Å; S82-F84 VanDerWaalsContact C-N 3.27Å; S82-F84 PolarHBondContact O-N 3.42Å; S82-R85 PolarHBondContact O-N 2.85Å
83A87.1Confident86.7Confident0 Ų052.8 Ų52.80%029%0.288CS..G310 helixtrans-71.2-21-178.400000112.9N58 F59 I62 C80 A81 R85 E86N58-A83 HydrophobicContact CB-CB 3.93Å; F59-A83 HydrophobicContact CB-CB 4.33Å; F59-A83 WeakPolarHBondContact CD2-O 3.07Å; I62-A83 HydrophobicContact CD1-CB 3.65Å; C80-A83 HydrophobicContact CB-CB 4.33Å; C80-A83 WeakPolarHBondContact O-CB 3.02Å; C80-A83 PolarHBondContact O-N 2.98Å; A81-A83 PolarHBondContact O-N 3.36Å; A81-A83 VanDerWaalsContact O-N 3.1Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 3.29Å; A83-E86 WeakPolarHBondContact CA-OE1 3.37Å; A83-E86 PolarHBondContact O-N 2.96Å
84F86.3Confident86.9Confident5 Ų551.6 Ų51.62%0.02228%0.278CS..G310 helixtrans-75.5-12.5175.6-71.2-84.9000113.9I62 L74 L77 C80 A81 S82 P94 V110 A113I62-F84 HydrophobicContact CD1-CD2 4.18Å; I62-F84 HydrophobicContact CD1-CE1 4.22Å; I62-F84 HydrophobicContact CD1-CE2 3.78Å; I62-F84 HydrophobicContact CD1-CZ 3.81Å; I62-F84 HydrophobicContact CG1-CZ 4.34Å; I62-F84 HydrophobicContact CG2-CE1 4.12Å; L74-F84 HydrophobicContact CD1-CE1 4.44Å; L77-F84 WeakPolarHBondContact O-CE2 3.49Å; C80-F84 WeakPolarHBondContact O-CD2 3.36Å; A81-F84 PolarHBondContact O-N 3.2Å; S82-F84 VanDerWaalsContact C-N 3.27Å; S82-F84 PolarHBondContact O-N 3.42Å; F84-P94 HydrophobicContact CD1-CB 3.91Å; F84-P94 HydrophobicContact CD1-CG 4.2Å; F84-P94 HydrophobicContact CE1-CB 4.34Å; F84-V110 HydrophobicContact CD1-CG1 4.13Å; F84-V110 HydrophobicContact CE1-CG1 4.33Å; F84-V110 HydrophobicContact CE1-CG2 4.09Å; F84-A113 HydrophobicContact CD2-CB 4.23Å; F84-A113 HydrophobicContact CE1-CB 4.37Å; F84-A113 HydrophobicContact CE2-CB 3.94Å; F84-A113 HydrophobicContact CZ-CB 4.02Å
85R85.5Confident87.1Confident152 Ų15251.7 Ų51.757%0.57428%0.279SS*.G310 helixtrans-95.3-9175.1-67-176.1176.1-177.3-1.8113.3S82 A83 M117S82-R85 PolarHBondContact O-N 2.85Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 3.29Å; R85-M117 HydrophobicContact CG-CE 4.06Å; R85-M117 PolarHBondContact NH2-O 3.49Å
86E88.9Confident87.3Confident40 Ų4047.7 Ų47.719%0.18726%0.26CS..  trans-74.9152177.3-65.7-179.5-121.500110.3N55 S56 F59 A83N55-E86 VanDerWaalsContact CA-OE2 3.23Å; N55-E86 WeakPolarHBondContact CA-OE2 3.26Å; N55-E86 WeakPolarHBondContact CB-OE2 3.39Å; S56-E86 WeakPolarHBondContact CB-OE1 3.48Å; S56-E86 PolarHBondContact N-OE2 3.14Å; S56-E86 PolarHBondContact OG-OE1 2.92Å; F59-E86 HydrophobicContact CB-CB 4.08Å; F59-E86 HydrophobicContact CD2-CB 3.47Å; F59-E86 VanDerWaalsContact CD2-CB 3.47Å; F59-E86 HydrophobicContact CE2-CB 3.99Å; F59-E86 WeakPolarHBondContact CE2-O 3.48Å; F59-E86 HydrophobicContact CG-CB 3.79Å; A83-E86 WeakPolarHBondContact CA-OE1 3.37Å; A83-E86 PolarHBondContact O-N 2.96Å
87S89.6Confident87.6Confident27 Ų2740.4 Ų40.419%0.18923%0.226CC..  trans-127.7147.5-17950.50000111.5K52 N55 W92K52-S87 PolarHBondContact NZ-OG 2.94Å; N55-S87 PolarHBondContact ND2-O 3.28Å; S87-W92 VanDerWaalsContact CA-O 3.27Å; S87-W92 WeakPolarHBondContact CA-O 3.23Å
88D88.9Confident88Confident24 Ų2439 Ų3913%0.12822%0.219CC..  trans-74.3-175.3173.478-1.7000112.1F59 R90 G91 W92F59-D88 HydrophobicContact CE1-CB 4.45Å; F59-D88 HydrophobicContact CZ-CB 4.15Å; D88-R90 PolarHBondContact O-N 2.69Å; D88-R90 VanDerWaalsContact O-N 3.15Å; D88-R90 VanDerWaalsContact OD1-CA 3.31Å; D88-R90 WeakPolarHBondContact OD1-CA 3.08Å; D88-R90 WeakPolarHBondContact OD1-CB 3.41Å; D88-R90 PolarHBondContact OD1-N 3.47Å; D88-R90 IonicContact OD2-CZ 2.99Å; D88-R90 IonicContact OD2-NE 2.67Å; D88-R90 PolarHBondContact OD2-NE 3.23Å; D88-R90 VanDerWaalsContact OD2-NE 3.1Å; D88-R90 IonicContact OD2-NH2 2.92Å; D88-R90 PolarHBondContact OD2-NH2 2.77Å; D88-G91 PolarHBondContact O-N 2.82Å; D88-G91 PolarHBondContact OD1-N 3.33Å; D88-G91 VanDerWaalsContact OD1-N 3.12Å; D88-W92 PolarHBondContact N-O 3.43Å; D88-W92 WeakPolarHBondContact OD1-CB 3.35Å; D88-W92 PolarHBondContact OD1-N 3.02Å
89S87Confident88.6Confident97 Ų9737.4 Ų37.468%0.67821%0.208SC*.THydrogen-bonded Turntrans-62.6-16.5177.658.90000114.1K126S89-K126 WeakPolarHBondContact O-CD 3.46Å; S89-K126 WeakPolarHBondContact O-CE 3.41Å; S89-K126 PolarHBondContact O-NZ 3.16Å
90R85.7Confident89.3Confident119 Ų11933.5 Ų33.545%0.44918%0.182SC..THydrogen-bonded Turntrans-96.3-0.2175.4-60.2173.4-66.1168.63.1112.4D88 W92 K126D88-R90 PolarHBondContact O-N 2.69Å; D88-R90 VanDerWaalsContact O-N 3.15Å; D88-R90 VanDerWaalsContact OD1-CA 3.31Å; D88-R90 WeakPolarHBondContact OD1-CA 3.08Å; D88-R90 WeakPolarHBondContact OD1-CB 3.41Å; D88-R90 PolarHBondContact OD1-N 3.47Å; D88-R90 IonicContact OD2-CZ 2.99Å; D88-R90 IonicContact OD2-NE 2.67Å; D88-R90 PolarHBondContact OD2-NE 3.23Å; D88-R90 VanDerWaalsContact OD2-NE 3.1Å; D88-R90 IonicContact OD2-NH2 2.92Å; D88-R90 PolarHBondContact OD2-NH2 2.77Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-W92 HydrophobicContact CB-CG 4.34Å; R90-K126 WeakPolarHBondContact O-CB 3.45Å; R90-K126 WeakPolarHBondContact O-CG 3.18Å; R90-K126 PolarHBondContact O-N 3.38Å
91G89.8Confident89.8Confident9 Ų936.2 Ų36.29%0.09319%0.189CC..  trans78.116.4-173.100000113.1D88 L93D88-G91 PolarHBondContact O-N 2.82Å; D88-G91 PolarHBondContact OD1-N 3.33Å; D88-G91 VanDerWaalsContact OD1-N 3.12Å; G91-L93 PolarHBondContact O-N 2.89Å
92W92.9Very high90.3Very high40 Ų4038.9 Ų38.915%0.15220%0.204CC..  trans-80.2122.6178.5-73.134.3000110.5S87 D88 R90 H96 A97 A100 T125 L134S87-W92 VanDerWaalsContact CA-O 3.27Å; S87-W92 WeakPolarHBondContact CA-O 3.23Å; D88-W92 PolarHBondContact N-O 3.43Å; D88-W92 WeakPolarHBondContact OD1-CB 3.35Å; D88-W92 PolarHBondContact OD1-N 3.02Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-W92 HydrophobicContact CB-CG 4.34Å; W92-H96 HydrophobicContact CB-CB 4.14Å; W92-H96 HydrophobicContact CD2-CB 4.28Å; W92-H96 HydrophobicContact CE3-CB 4.37Å; W92-H96 HydrophobicContact CG-CB 4.21Å; W92-A97 HydrophobicContact CE3-CB 4.09Å; W92-A100 HydrophobicContact CH2-CB 4.44Å; W92-T125 HydrophobicContact CG-CG2 4.29Å; W92-L134 HydrophobicContact CH2-CD1 4.49Å; W92-L134 HydrophobicContact CH2-CD2 4.5Å; W92-L134 HydrophobicContact CZ2-CD1 4.24Å; W92-L134 HydrophobicContact CZ2-CD2 4.03Å
93L93.4Very high90.7Very high16 Ų1639.1 Ų39.18%0.08419%0.194CC..  trans-80.1164.2165.2-68.490.1000109.3G91 L95 H96 A97 E123G91-L93 PolarHBondContact O-N 2.89Å; L93-L95 PolarHBondContact O-N 3.16Å; L93-L95 VanDerWaalsContact O-N 3.13Å; L93-H96 WeakPolarHBondContact CD1-CE1 3.47Å; L93-H96 WeakPolarHBondContact CD1-ND1 3.09Å; L93-H96 PolarHBondContact N-ND1 3.25Å; L93-H96 WeakPolarHBondContact O-CB 3.33Å; L93-H96 PolarHBondContact O-N 3.25Å; L93-A97 PolarHBondContact O-N 2.88Å; L93-A97 VanDerWaalsContact O-N 3.15Å; L93-E123 HydrophobicContact CD1-CB 3.87Å; L93-E123 HydrophobicContact CD2-CB 4.27Å; L93-E123 HydrophobicContact CD2-CG 4.11Å
94P92.9Very high90.9Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-53.3-33.8171.1-30.541.3000112.6F59 I62 M63 I66 F84 A97 V98F59-P94 HydrophobicContact CD2-CG 4.17Å; F59-P94 HydrophobicContact CE2-CG 4.05Å; I62-P94 HydrophobicContact CG2-CB 3.74Å; I62-P94 HydrophobicContact CG2-CG 3.77Å; M63-P94 HydrophobicContact SD-CB 4.38Å; M63-P94 HydrophobicContact SD-CG 4.1Å; I66-P94 HydrophobicContact CD1-CB 3.73Å; F84-P94 HydrophobicContact CD1-CB 3.91Å; F84-P94 HydrophobicContact CD1-CG 4.2Å; F84-P94 HydrophobicContact CE1-CB 4.34Å; P94-A97 PolarHBondContact O-N 3.37Å; P94-V98 WeakPolarHBondContact O-CG2 3.48Å; P94-V98 PolarHBondContact O-N 3.42Å
95L94.3Very high91.2Very high3 Ų346.7 Ų46.72%0.01623%0.232CC..Hα-helixtrans-59.5-48.7173.6-177.765000112.7L93 A97 V98 A99 L107 V110 L111 M114 L121 A131 L147L93-L95 PolarHBondContact O-N 3.16Å; L93-L95 VanDerWaalsContact O-N 3.13Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.18Å; L95-V98 HydrophobicContact CD1-CG2 4.49Å; L95-V98 VanDerWaalsContact O-CG2 3.28Å; L95-V98 WeakPolarHBondContact O-CG2 3.49Å; L95-V98 PolarHBondContact O-N 2.73Å; L95-A99 VanDerWaalsContact O-CB 3.25Å; L95-A99 WeakPolarHBondContact O-CB 3.34Å; L95-A99 PolarHBondContact O-N 3.44Å; L95-L107 HydrophobicContact CD1-CD1 3.69Å; L95-V110 HydrophobicContact CB-CG1 4.21Å; L95-V110 HydrophobicContact CD1-CG1 4.19Å; L95-L111 HydrophobicContact CD1-CD2 3.94Å; L95-M114 HydrophobicContact CB-CE 4.45Å; L95-M114 HydrophobicContact CB-SD 3.81Å; L95-M114 HydrophobicContact CD1-SD 3.98Å; L95-M114 HydrophobicContact CD2-CE 3.76Å; L95-M114 HydrophobicContact CD2-SD 3.85Å; L95-M114 HydrophobicContact CG-SD 4.06Å; L95-L121 HydrophobicContact CD2-CD2 3.78Å; L95-A131 HydrophobicContact CD1-CB 4.39Å; L95-A131 HydrophobicContact CD2-CB 3.78Å; L95-A131 HydrophobicContact CG-CB 3.71Å; L95-L147 HydrophobicContact CD1-CD2 4.3Å
96H94.9Very high91.5Very high1 Ų139.6 Ų39.61%0.00521%0.205CC..Hα-helixtrans-58.1-44.4176.7-66.1147000111.2W92 L93 A99 A100 E123 T125 A131 L134W92-H96 HydrophobicContact CB-CB 4.14Å; W92-H96 HydrophobicContact CD2-CB 4.28Å; W92-H96 HydrophobicContact CE3-CB 4.37Å; W92-H96 HydrophobicContact CG-CB 4.21Å; L93-H96 WeakPolarHBondContact CD1-CE1 3.47Å; L93-H96 WeakPolarHBondContact CD1-ND1 3.09Å; L93-H96 PolarHBondContact N-ND1 3.25Å; L93-H96 WeakPolarHBondContact O-CB 3.33Å; L93-H96 PolarHBondContact O-N 3.25Å; H96-A99 PolarHBondContact O-N 3.43Å; H96-A100 PolarHBondContact O-N 3.32Å; H96-E123 PolarHBondContact CE1-O 3.42Å; H96-E123 PolarHBondContact NE2-O 3.36Å; H96-T125 HydrophobicContact CB-CG2 4.42Å; H96-A131 PolarHBondContact CD2-N 2.98Å; H96-L134 HydrophobicContact CB-CD1 3.57Å
97A93.1Very high91.7Very high2 Ų237.7 Ų37.72%0.01720%0.197CC..Hα-helixtrans-65-43.8-179.300000112.9M63 I66 W92 L93 P94 L95 R101M63-A97 HydrophobicContact CE-CB 3.76Å; M63-A97 HydrophobicContact SD-CB 4.26Å; I66-A97 HydrophobicContact CD1-CB 4.47Å; I66-A97 HydrophobicContact CG2-CB 3.9Å; W92-A97 HydrophobicContact CE3-CB 4.09Å; L93-A97 PolarHBondContact O-N 2.88Å; L93-A97 VanDerWaalsContact O-N 3.15Å; P94-A97 PolarHBondContact O-N 3.37Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.18Å; A97-R101 WeakPolarHBondContact O-CG 3.23Å
98V94.8Very high91.8Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-73.1-33.1178.3-64.60000112.9I66 P94 L95 A100 R101 M106 L107 V110 N143I66-V98 HydrophobicContact CB-CG1 4.27Å; I66-V98 HydrophobicContact CD1-CG1 3.68Å; I66-V98 HydrophobicContact CG1-CG1 3.57Å; I66-V98 HydrophobicContact CG2-CG1 3.71Å; P94-V98 WeakPolarHBondContact O-CG2 3.48Å; P94-V98 PolarHBondContact O-N 3.42Å; L95-V98 HydrophobicContact CD1-CG2 4.49Å; L95-V98 VanDerWaalsContact O-CG2 3.28Å; L95-V98 WeakPolarHBondContact O-CG2 3.49Å; L95-V98 PolarHBondContact O-N 2.73Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.23Å; V98-R101 PolarHBondContact O-N 3.13Å; V98-R101 VanDerWaalsContact O-N 3.09Å; V98-M106 HydrophobicContact CB-CB 4.39Å; V98-M106 HydrophobicContact CG1-CB 3.94Å; V98-L107 HydrophobicContact CB-CB 4.45Å; V98-L107 HydrophobicContact CG2-CB 4.21Å; V98-L107 HydrophobicContact CG2-CD1 3.67Å; V98-V110 HydrophobicContact CB-CG2 4.42Å; V98-V110 HydrophobicContact CG1-CG2 3.76Å; V98-V110 HydrophobicContact CG2-CB 4.02Å; V98-V110 HydrophobicContact CG2-CG1 4.28Å; V98-V110 HydrophobicContact CG2-CG2 3.85Å; V98-N143 PolarHBondContact O-ND2 3.31Å
99A94.8Very high91.8Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-61.9-37.4-178.600000112.2L95 H96 R101 A131 A135 N143 L147L95-A99 VanDerWaalsContact O-CB 3.25Å; L95-A99 WeakPolarHBondContact O-CB 3.34Å; L95-A99 PolarHBondContact O-N 3.44Å; H96-A99 PolarHBondContact O-N 3.43Å; A99-R101 VanDerWaalsContact C-N 3.26Å; A99-R101 PolarHBondContact O-N 3.47Å; A99-A131 HydrophobicContact CB-CB 3.94Å; A99-A131 VanDerWaalsContact CB-O 3.29Å; A99-A131 WeakPolarHBondContact CB-O 3.34Å; A99-A135 HydrophobicContact CB-CB 4.3Å; A99-A135 WeakPolarHBondContact O-CB 3.26Å; A99-N143 PolarHBondContact O-ND2 3.34Å; A99-L147 HydrophobicContact CB-CD1 4.12Å
100A93.5Very high92Very high20 Ų2034.9 Ų34.917%0.16517%0.169CC..THydrogen-bonded Turntrans-77.80.7177.400000114.7W92 H96 V98 L134 A138W92-A100 HydrophobicContact CH2-CB 4.44Å; H96-A100 PolarHBondContact O-N 3.32Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.23Å; A100-L134 HydrophobicContact CB-CB 4.34Å; A100-A138 HydrophobicContact CB-CB 4.17Å; A100-A138 WeakPolarHBondContact O-CB 3.18Å
101R92.1Very high92.2Very high83 Ų8329.5 Ų29.531%0.31315%0.149SC..SBendtrans-113.4148.2-172.6-64.5-70.9-177.997.68.3112.3D67 A97 V98 A99 K103 M106 N143D67-R101 PolarHBondContact O-NH1 2.89Å; D67-R101 IonicContact OD1-CZ 3.81Å; D67-R101 IonicContact OD1-NH1 3Å; D67-R101 IonicContact OD1-NH2 3.74Å; D67-R101 PolarHBondContact OD1-NH2 3.44Å; A97-R101 WeakPolarHBondContact O-CG 3.23Å; V98-R101 PolarHBondContact O-N 3.13Å; V98-R101 VanDerWaalsContact O-N 3.09Å; A99-R101 VanDerWaalsContact C-N 3.26Å; A99-R101 PolarHBondContact O-N 3.47Å; R101-K103 VanDerWaalsContact C-N 3.28Å; R101-K103 PolarHBondContact O-N 3.47Å; R101-M106 HydrophobicContact CB-CE 4.1Å; R101-N143 PolarHBondContact O-ND2 2.97Å
102P88.9Confident92Very high93 Ų9333.7 Ų33.760%0.60417%0.167SC*.SBendtrans-74-7.2-173.728.7-35.9000116.3T104P102-T104 PolarHBondContact O-N 3.17Å
103K90.2Very high91.7Very high91 Ų9132 Ų3240%0.39616%0.161SC..  trans-90.293.2179.4-59.5-168.6-177-172.70110.9G69 R101 E105 M106G69-K103 PolarHBondContact O-NZ 2.84Å; R101-K103 VanDerWaalsContact C-N 3.28Å; R101-K103 PolarHBondContact O-N 3.47Å; K103-E105 PolarHBondContact O-N 2.93Å; K103-M106 HydrophobicContact CB-CE 3.73Å; K103-M106 HydrophobicContact CB-CG 4.09Å; K103-M106 HydrophobicContact CD-CE 4.22Å; K103-M106 HydrophobicContact CG-CE 4.24Å; K103-M106 WeakPolarHBondContact O-CB 3.45Å; K103-M106 PolarHBondContact O-N 2.89Å; K103-M106 VanDerWaalsContact O-N 3.1Å
104T91.6Very high91.2Very high43 Ų4331.8 Ų31.826%0.26416%0.16SC..Hα-helixtrans-61.9-26.4-179.1-53.80000113.2P102 M106 L107 H108 E142 N143 L146P102-T104 PolarHBondContact O-N 3.17Å; T104-M106 VanDerWaalsContact C-N 3.26Å; T104-M106 PolarHBondContact O-N 3.01Å; T104-L107 PolarHBondContact O-N 2.8Å; T104-H108 PolarHBondContact O-N 2.94Å; T104-E142 HydrophobicContact CG2-CB 4.25Å; T104-E142 WeakPolarHBondContact OG1-CB 3.37Å; T104-N143 WeakPolarHBondContact CA-OD1 3.44Å; T104-N143 WeakPolarHBondContact CB-OD1 3.37Å; T104-N143 PolarHBondContact OG1-OD1 3.29Å; T104-L146 HydrophobicContact CG2-CD2 3.95Å
105E92.4Very high90.6Very high120 Ų12035.6 Ų35.656%0.56119%0.191SC*.Hα-helixtrans-60.6-37.6175.1-58.293.9168.200111.7V71 K103 L107 H108 V109V71-E105 HydrophobicContact CG1-CB 4.23Å; V71-E105 HydrophobicContact CG2-CB 4.15Å; K103-E105 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.38Å; E105-H108 WeakPolarHBondContact O-CB 3.39Å; E105-H108 PolarHBondContact O-N 3.37Å; E105-H108 VanDerWaalsContact O-N 3.16Å; E105-V109 WeakPolarHBondContact O-CG2 3.5Å; E105-V109 PolarHBondContact O-N 3.48Å
106M91.2Very high89.7Confident3 Ų340 Ų402%0.01522%0.222CC..Hα-helixtrans-62.8-42.3177.8-65.5-162.4-7000111.8G69 V71 L74 V98 R101 K103 T104 H108 V109 V110G69-M106 VanDerWaalsContact CA-SD 3.55Å; V71-M106 HydrophobicContact CG2-CG 3.85Å; L74-M106 HydrophobicContact CD2-CB 3.93Å; L74-M106 HydrophobicContact CD2-CG 4.2Å; V98-M106 HydrophobicContact CB-CB 4.39Å; V98-M106 HydrophobicContact CG1-CB 3.94Å; R101-M106 HydrophobicContact CB-CE 4.1Å; K103-M106 HydrophobicContact CB-CE 3.73Å; K103-M106 HydrophobicContact CB-CG 4.09Å; K103-M106 HydrophobicContact CD-CE 4.22Å; K103-M106 HydrophobicContact CG-CE 4.24Å; K103-M106 WeakPolarHBondContact O-CB 3.45Å; K103-M106 PolarHBondContact O-N 2.89Å; K103-M106 VanDerWaalsContact O-N 3.1Å; T104-M106 VanDerWaalsContact C-N 3.26Å; T104-M106 PolarHBondContact O-N 3.01Å; M106-H108 VanDerWaalsContact C-N 3.29Å; M106-H108 PolarHBondContact O-N 3.4Å; M106-V109 PolarHBondContact O-N 3.19Å; M106-V110 WeakPolarHBondContact O-CG2 3.07Å; M106-V110 PolarHBondContact O-N 2.88Å
107L93.2Very high88.7Confident0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-62.7-38.7176.1177.662.6000111.1L95 V98 T104 E105 V109 V110 L111 N143 L146 L147L95-L107 HydrophobicContact CD1-CD1 3.69Å; V98-L107 HydrophobicContact CB-CB 4.45Å; V98-L107 HydrophobicContact CG2-CB 4.21Å; V98-L107 HydrophobicContact CG2-CD1 3.67Å; T104-L107 PolarHBondContact O-N 2.8Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.38Å; L107-V109 PolarHBondContact O-N 2.82Å; L107-V110 PolarHBondContact O-N 3.39Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CD2 4.49Å; L107-L111 HydrophobicContact CD1-CG 3.94Å; L107-L111 HydrophobicContact CD2-CD1 4.5Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.26Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.07Å; L107-N143 HydrophobicContact CD2-CB 3.54Å; L107-L146 HydrophobicContact CB-CD2 4.33Å; L107-L146 HydrophobicContact CD2-CB 4.19Å; L107-L146 HydrophobicContact CD2-CD2 3.89Å; L107-L146 HydrophobicContact CD2-CG 4.36Å; L107-L146 HydrophobicContact CG-CD2 3.89Å; L107-L147 HydrophobicContact CD1-CD2 4.1Å; L107-L147 HydrophobicContact CD2-CD2 4.44Å; L107-L147 HydrophobicContact CD2-CG 4.1Å
108H91.5Very high87.6Confident83 Ų8348.8 Ų48.838%0.38427%0.269SS..Hα-helixtrans-60.7-44.9175.1-165.569.9000112.3T104 E105 M106 V110 L111 Q112 L146T104-H108 PolarHBondContact O-N 2.94Å; E105-H108 WeakPolarHBondContact O-CB 3.39Å; E105-H108 PolarHBondContact O-N 3.37Å; E105-H108 VanDerWaalsContact O-N 3.16Å; M106-H108 VanDerWaalsContact C-N 3.29Å; M106-H108 PolarHBondContact O-N 3.4Å; H108-V110 PolarHBondContact O-N 3.42Å; H108-L111 PolarHBondContact O-N 3.05Å; H108-Q112 PolarHBondContact CD2-NE2 2.96Å; H108-Q112 VanDerWaalsContact CD2-NE2 3.26Å; H108-Q112 PolarHBondContact NE2-NE2 3.25Å; H108-Q112 WeakPolarHBondContact O-CB 3.48Å; H108-Q112 VanDerWaalsContact O-CG 3.31Å; H108-Q112 WeakPolarHBondContact O-CG 3.24Å; H108-Q112 PolarHBondContact O-N 3.37Å; H108-L146 HydrophobicContact CB-CD2 4.41Å
109V90.2Very high86.8Confident6 Ų650.2 Ų50.24%0.03628%0.281CS..Hα-helixtrans-60.7-45.9176.6179.70000111.4V71 L74 Q75 E105 M106 L107 Q112 A113V71-V109 HydrophobicContact CG1-CG2 4.01Å; L74-V109 HydrophobicContact CD2-CB 4.31Å; L74-V109 HydrophobicContact CD2-CG1 4.41Å; L74-V109 HydrophobicContact CG-CB 4.44Å; L74-V109 HydrophobicContact CG-CG1 4Å; Q75-V109 HydrophobicContact CB-CG1 4.49Å; Q75-V109 VanDerWaalsContact OE1-CG1 3.31Å; E105-V109 WeakPolarHBondContact O-CG2 3.5Å; E105-V109 PolarHBondContact O-N 3.48Å; M106-V109 PolarHBondContact O-N 3.19Å; L107-V109 PolarHBondContact O-N 2.82Å; V109-Q112 PolarHBondContact O-N 2.92Å; V109-A113 PolarHBondContact O-N 2.88Å
110V90.3Very high86.5Confident0 Ų053.3 Ų53.30%030%0.3CS..Hα-helixtrans-64.7-43.8179.2177.10000111.2L74 F84 L95 V98 M106 L107 H108 Q112 A113 M114L74-V110 HydrophobicContact CD2-CG2 4.02Å; F84-V110 HydrophobicContact CD1-CG1 4.13Å; F84-V110 HydrophobicContact CE1-CG1 4.33Å; F84-V110 HydrophobicContact CE1-CG2 4.09Å; L95-V110 HydrophobicContact CB-CG1 4.21Å; L95-V110 HydrophobicContact CD1-CG1 4.19Å; V98-V110 HydrophobicContact CB-CG2 4.42Å; V98-V110 HydrophobicContact CG1-CG2 3.76Å; V98-V110 HydrophobicContact CG2-CB 4.02Å; V98-V110 HydrophobicContact CG2-CG1 4.28Å; V98-V110 HydrophobicContact CG2-CG2 3.85Å; M106-V110 WeakPolarHBondContact O-CG2 3.07Å; M106-V110 PolarHBondContact O-N 2.88Å; L107-V110 PolarHBondContact O-N 3.39Å; H108-V110 PolarHBondContact O-N 3.42Å; V110-Q112 PolarHBondContact O-N 3.08Å; V110-A113 PolarHBondContact O-N 3.29Å; V110-M114 HydrophobicContact CG1-CG 4.27Å; V110-M114 HydrophobicContact CG1-SD 3.85Å; V110-M114 WeakPolarHBondContact O-CB 3.41Å; V110-M114 VanDerWaalsContact O-CG 3.26Å; V110-M114 WeakPolarHBondContact O-CG 3.39Å; V110-M114 PolarHBondContact O-N 3.49Å
111L89.8Confident86.4Confident6 Ų653.3 Ų53.33%0.03130%0.297CS..Hα-helixtrans-64.5-37.9177.9-71.1173000112.4L95 L107 H108 M114 A115 L121 L146 L147L95-L111 HydrophobicContact CD1-CD2 3.94Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CD2 4.49Å; L107-L111 HydrophobicContact CD1-CG 3.94Å; L107-L111 HydrophobicContact CD2-CD1 4.5Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.26Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.07Å; H108-L111 PolarHBondContact O-N 3.05Å; L111-M114 PolarHBondContact O-N 3.25Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3Å; L111-L121 HydrophobicContact CD2-CD2 3.51Å; L111-L146 HydrophobicContact CD1-CD2 3.92Å; L111-L146 HydrophobicContact CD1-CG 3.78Å; L111-L147 HydrophobicContact CD2-CD2 4.39Å
112Q86.9Confident86.5Confident98 Ų9851.4 Ų51.446%0.45829%0.291SS..Hα-helixtrans-62.6-45.1173-75.9-178.5-8.100111.8H108 V109 V110 M114 A115H108-Q112 PolarHBondContact CD2-NE2 2.96Å; H108-Q112 VanDerWaalsContact CD2-NE2 3.26Å; H108-Q112 PolarHBondContact NE2-NE2 3.25Å; H108-Q112 WeakPolarHBondContact O-CB 3.48Å; H108-Q112 VanDerWaalsContact O-CG 3.31Å; H108-Q112 WeakPolarHBondContact O-CG 3.24Å; H108-Q112 PolarHBondContact O-N 3.37Å; V109-Q112 PolarHBondContact O-N 2.92Å; V110-Q112 PolarHBondContact O-N 3.08Å; Q112-M114 VanDerWaalsContact C-N 3.33Å; Q112-M114 PolarHBondContact O-N 3.16Å; Q112-A115 PolarHBondContact O-N 3.18Å
113A84.9Confident86.6Confident5 Ų551.3 Ų51.34%0.04128%0.283CS..Hα-helixtrans-61.1-43.417600000111.1F84 V109 V110 S116F84-A113 HydrophobicContact CD2-CB 4.23Å; F84-A113 HydrophobicContact CE1-CB 4.37Å; F84-A113 HydrophobicContact CE2-CB 3.94Å; F84-A113 HydrophobicContact CZ-CB 4.02Å; V109-A113 PolarHBondContact O-N 2.88Å; V110-A113 PolarHBondContact O-N 3.29Å; A113-S116 PolarHBondContact O-N 3.14Å; A113-S116 PolarHBondContact O-OG 2.93Å
114M82.9Confident86.8Confident10 Ų1052.5 Ų52.55%0.04929%0.285CS..Hα-helixtrans-69-34.2179-71.5-178.572.700114L95 V110 L111 Q112 S116 M117 A119 L121L95-M114 HydrophobicContact CB-CE 4.45Å; L95-M114 HydrophobicContact CB-SD 3.81Å; L95-M114 HydrophobicContact CD1-SD 3.98Å; L95-M114 HydrophobicContact CD2-CE 3.76Å; L95-M114 HydrophobicContact CD2-SD 3.85Å; L95-M114 HydrophobicContact CG-SD 4.06Å; V110-M114 HydrophobicContact CG1-CG 4.27Å; V110-M114 HydrophobicContact CG1-SD 3.85Å; V110-M114 WeakPolarHBondContact O-CB 3.41Å; V110-M114 VanDerWaalsContact O-CG 3.26Å; V110-M114 WeakPolarHBondContact O-CG 3.39Å; V110-M114 PolarHBondContact O-N 3.49Å; L111-M114 PolarHBondContact O-N 3.25Å; Q112-M114 VanDerWaalsContact C-N 3.33Å; Q112-M114 PolarHBondContact O-N 3.16Å; M114-S116 PolarHBondContact O-N 3.25Å; M114-M117 WeakPolarHBondContact O-CB 3.41Å; M114-M117 PolarHBondContact O-N 2.76Å; M114-A119 HydrophobicContact CB-CB 4.2Å; M114-A119 HydrophobicContact CE-CB 3.65Å; M114-A119 HydrophobicContact CG-CB 4.42Å; M114-L121 HydrophobicContact CE-CD2 4.39Å
115A80.5Confident86.9Confident80 Ų8050.9 Ų50.966%0.66128%0.275SS*.Hα-helixtrans-61.5-28.1176.800000112.3L111 Q112 M117L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3Å; Q112-A115 PolarHBondContact O-N 3.18Å; A115-M117 PolarHBondContact O-N 3.03Å
116S76.3Confident86.9Confident96 Ų9651.9 Ų51.967%0.67128%0.278SS*.THydrogen-bonded Turntrans-74.3-6.1174.975.70000114.2A113 M114A113-S116 PolarHBondContact O-N 3.14Å; A113-S116 PolarHBondContact O-OG 2.93Å; M114-S116 PolarHBondContact O-N 3.25Å
117M72.8Confident86.8Confident26 Ų2656.6 Ų56.613%0.12830%0.303CS..THydrogen-bonded Turntrans-124.96.9-165.1-65.8-176.270.500115.5A81 R85 M114 A115 A119A81-M117 WeakPolarHBondContact CA-SD 3.15Å; A81-M117 HydrophobicContact CB-CE 3.61Å; A81-M117 HydrophobicContact CB-CG 3.86Å; A81-M117 HydrophobicContact CB-SD 3.43Å; A81-M117 WeakPolarHBondContact CB-SD 3.38Å; A81-M117 WeakPolarHBondContact O-CE 3.44Å; R85-M117 HydrophobicContact CG-CE 4.06Å; R85-M117 PolarHBondContact NH2-O 3.49Å; M114-M117 WeakPolarHBondContact O-CB 3.41Å; M114-M117 PolarHBondContact O-N 2.76Å; A115-M117 PolarHBondContact O-N 3.03Å; M117-A119 HydrophobicContact CB-CB 4.44Å; M117-A119 PolarHBondContact O-N 3.35Å
118D70.3Confident86.8Confident161 Ų16156.8 Ų56.886%0.86131%0.305SS*.THydrogen-bonded Turntrans48.843-174.5-160.428.3000112.3
119A79.1Confident87Confident31 Ų3153.4 Ų53.426%0.25629%0.29SS..  trans-92.6136.3-177.600000111M114 M117M114-A119 HydrophobicContact CB-CB 4.2Å; M114-A119 HydrophobicContact CE-CB 3.65Å; M114-A119 HydrophobicContact CG-CB 4.42Å; M117-A119 HydrophobicContact CB-CB 4.44Å; M117-A119 PolarHBondContact O-N 3.35Å
120T88.3Confident87.3Confident65 Ų6553.1 Ų53.140%0.39929%0.288SS..  trans-77.4145.8177.4-176.70000111.9E122 E123T120-E122 PolarHBondContact OG1-N 2.86Å; T120-E122 VanDerWaalsContact OG1-N 3.16Å; T120-E123 HydrophobicContact CG2-CG 3.78Å; T120-E123 VanDerWaalsContact CG2-OE1 3.25Å; T120-E123 WeakPolarHBondContact CG2-OE1 3.1Å
121L90.5Very high87.6Confident20 Ų2053.2 Ų53.211%0.10529%0.288CS..THydrogen-bonded Turntrans-81.8-6.1171.9-58.5-178.7000112.5L95 L111 M114 H150 A152L95-L121 HydrophobicContact CD2-CD2 3.78Å; L111-L121 HydrophobicContact CD2-CD2 3.51Å; M114-L121 HydrophobicContact CE-CD2 4.39Å; L121-H150 HydrophobicContact CD1-CB 3.93Å; L121-H150 WeakPolarHBondContact CD1-O 3.41Å; L121-A152 HydrophobicContact CB-CB 4.31Å; L121-A152 HydrophobicContact CD1-CB 3.97Å
122E93.9Very high88Confident42 Ų4253 Ų5320%0.19629%0.287CS..THydrogen-bonded Turntrans-100.215.2-172.2-48-51.2156.200113.5T120 A152 S153 N156T120-E122 PolarHBondContact OG1-N 2.86Å; T120-E122 VanDerWaalsContact OG1-N 3.16Å; E122-A152 VanDerWaalsContact OE1-CA 3.31Å; E122-A152 WeakPolarHBondContact OE1-CA 3.35Å; E122-S153 PolarHBondContact OE1-N 2.95Å; E122-N156 WeakPolarHBondContact CG-ND2 3.29Å; E122-N156 PolarHBondContact OE2-ND2 2.95Å
123E92.3Very high88.4Confident92 Ų9248.3 Ų48.343%0.4327%0.265SS..  trans-57.6146.3167.8-69.6-61.5156.800109.8L93 H96 T120L93-E123 HydrophobicContact CD1-CB 3.87Å; L93-E123 HydrophobicContact CD2-CB 4.27Å; L93-E123 HydrophobicContact CD2-CG 4.11Å; H96-E123 PolarHBondContact CE1-O 3.42Å; H96-E123 PolarHBondContact NE2-O 3.36Å; T120-E123 HydrophobicContact CG2-CG 3.78Å; T120-E123 VanDerWaalsContact CG2-OE1 3.25Å; T120-E123 WeakPolarHBondContact CG2-OE1 3.1Å
124R94.3Very high89Confident115 Ų11548.5 Ų48.543%0.43427%0.266SS..  trans-118.2140.7-173.1-64.3-177.7-179.4-1290.3111.8D129 T130 T157R124-D129 CarbonylContact C-O 3.42Å; R124-D129 VanDerWaalsContact CA-O 3.28Å; R124-D129 WeakPolarHBondContact CA-O 3.3Å; R124-T130 HydrophobicContact CG-CG2 4.38Å; R124-T157 PolarHBondContact NH1-O 2.98Å
125T94.3Very high89.7Confident9 Ų948 Ų486%0.05526%0.263CS..  trans-68.8176.4167.371.10000110.7W92 H96 D127 G128 D129 L134W92-T125 HydrophobicContact CG-CG2 4.29Å; H96-T125 HydrophobicContact CB-CG2 4.42Å; T125-D127 PolarHBondContact O-N 2.87Å; T125-D127 PolarHBondContact OG1-N 3.39Å; T125-G128 PolarHBondContact O-N 3.32Å; T125-G128 PolarHBondContact OG1-N 3.49Å; T125-D129 HydrophobicContact CG2-CB 4.1Å; T125-D129 PolarHBondContact N-O 2.99Å; T125-D129 WeakPolarHBondContact OG1-CB 3.42Å; T125-D129 PolarHBondContact OG1-N 2.93Å; T125-D129 VanDerWaalsContact OG1-N 3.14Å; T125-L134 HydrophobicContact CG2-CD1 4.1Å
126K91.8Very high90.5Very high142 Ų14244.2 Ų44.262%0.61723%0.232SC*.THydrogen-bonded Turntrans-60.1-30171-74-175.8174.1-177.60112.9S89 R90 G128S89-K126 WeakPolarHBondContact O-CD 3.46Å; S89-K126 WeakPolarHBondContact O-CE 3.41Å; S89-K126 PolarHBondContact O-NZ 3.16Å; R90-K126 WeakPolarHBondContact O-CB 3.45Å; R90-K126 WeakPolarHBondContact O-CG 3.18Å; R90-K126 PolarHBondContact O-N 3.38Å; K126-G128 PolarHBondContact O-N 3.43Å
127D89.3Confident91.4Very high101 Ų10143.2 Ų43.254%0.5422%0.217SC..THydrogen-bonded Turntrans-856177-56.8-49.4000112.2T125 D129 S159T125-D127 PolarHBondContact O-N 2.87Å; T125-D127 PolarHBondContact OG1-N 3.39Å; D127-D129 PolarHBondContact O-N 3.32Å; D127-S159 WeakPolarHBondContact O-CB 3.35Å; D127-S159 PolarHBondContact O-N 3.26Å; D127-S159 PolarHBondContact O-OG 2.98Å
128G93.3Very high92.5Very high5 Ų543.7 Ų43.75%0.05223%0.225CC..  trans80.8-0.617700000114.2T125 K126 N158 S159T125-G128 PolarHBondContact O-N 3.32Å; T125-G128 PolarHBondContact OG1-N 3.49Å; K126-G128 PolarHBondContact O-N 3.43Å; G128-N158 WeakPolarHBondContact O-CA 3.37Å; G128-S159 WeakPolarHBondContact CA-OG 3.35Å; G128-S159 PolarHBondContact N-OG 3.34Å
129D95.8Very high93.7Very high12 Ų1238.8 Ų38.86%0.06420%0.199CC..  trans-66.9140.6-178.4-71-66.2000112.7R124 T125 D127 T133 L134 N158R124-D129 CarbonylContact C-O 3.42Å; R124-D129 VanDerWaalsContact CA-O 3.28Å; R124-D129 WeakPolarHBondContact CA-O 3.3Å; T125-D129 HydrophobicContact CG2-CB 4.1Å; T125-D129 PolarHBondContact N-O 2.99Å; T125-D129 WeakPolarHBondContact OG1-CB 3.42Å; T125-D129 PolarHBondContact OG1-N 2.93Å; T125-D129 VanDerWaalsContact OG1-N 3.14Å; D127-D129 PolarHBondContact O-N 3.32Å; D129-T133 VanDerWaalsContact CA-OG1 3.28Å; D129-T133 WeakPolarHBondContact CA-OG1 3.36Å; D129-T133 VanDerWaalsContact CB-OG1 3.24Å; D129-T133 WeakPolarHBondContact CB-OG1 3.34Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å; D129-L134 HydrophobicContact CB-CD1 4.43Å; D129-L134 HydrophobicContact CB-CD2 3.88Å; D129-L134 HydrophobicContact CB-CG 3.87Å; D129-N158 WeakPolarHBondContact OD1-CB 3.4Å; D129-N158 PolarHBondContact OD1-ND2 3.22Å
130T96.4Very high94.6Very high0 Ų039.3 Ų39.30%020%0.196CC..  trans-94.1171168660000110.1R124 L132 T133 L134 N156R124-T130 HydrophobicContact CG-CG2 4.38Å; T130-L132 PolarHBondContact O-N 3.23Å; T130-L132 PolarHBondContact OG1-N 3.16Å; T130-T133 PolarHBondContact N-OG1 2.85Å; T130-T133 PolarHBondContact O-N 2.89Å; T130-T133 PolarHBondContact O-OG1 3.12Å; T130-T133 VanDerWaalsContact O-OG1 3.04Å; T130-T133 PolarHBondContact OG1-N 3.49Å; T130-L134 WeakPolarHBondContact O-CG 3.3Å; T130-L134 PolarHBondContact O-N 2.98Å; T130-L134 VanDerWaalsContact O-N 3.12Å; T130-N156 HydrophobicContact CG2-CB 3.9Å
131A96Very high95Very high1 Ų137.4 Ų37.41%0.00818%0.184CC..Hα-helixtrans-56-36171.800000112.2L95 H96 A99 A135 L147L95-A131 HydrophobicContact CD1-CB 4.39Å; L95-A131 HydrophobicContact CD2-CB 3.78Å; L95-A131 HydrophobicContact CG-CB 3.71Å; H96-A131 PolarHBondContact CD2-N 2.98Å; A99-A131 HydrophobicContact CB-CB 3.94Å; A99-A131 VanDerWaalsContact CB-O 3.29Å; A99-A131 WeakPolarHBondContact CB-O 3.34Å; A131-A135 WeakPolarHBondContact O-CB 3.37Å; A131-A135 PolarHBondContact O-N 3.32Å; A131-L147 HydrophobicContact CB-CD1 4.18Å; A131-L147 HydrophobicContact CB-CD2 4.16Å
132L97.5Very high95.3Very high1 Ų141 Ų411%0.00520%0.2CC..Hα-helixtrans-74.1-38.2-179.4-172.561.8000112.6T130 A135 A136 I144 L147 L148 A152 S153 P154 P164 L180T130-L132 PolarHBondContact O-N 3.23Å; T130-L132 PolarHBondContact OG1-N 3.16Å; L132-A135 PolarHBondContact O-N 3.46Å; L132-A136 WeakPolarHBondContact O-CB 3.16Å; L132-A136 PolarHBondContact O-N 2.8Å; L132-I144 HydrophobicContact CD1-CB 4.37Å; L132-I144 HydrophobicContact CD1-CG1 4.42Å; L132-I144 HydrophobicContact CD1-CG2 4.06Å; L132-L147 HydrophobicContact CB-CD1 4.43Å; L132-L147 HydrophobicContact CD1-CB 4.07Å; L132-L147 HydrophobicContact CD1-CD1 4.22Å; L132-L148 HydrophobicContact CD1-CD2 4.48Å; L132-L148 HydrophobicContact CD1-CG 4.32Å; L132-L148 HydrophobicContact CD2-CD2 3.82Å; L132-A152 HydrophobicContact CB-CB 4.4Å; L132-A152 HydrophobicContact CD2-CB 4.23Å; L132-S153 WeakPolarHBondContact CD2-O 3.45Å; L132-P154 HydrophobicContact CD2-CB 4.38Å; L132-P164 HydrophobicContact CB-CG 4.41Å; L132-P164 HydrophobicContact CD2-CB 4.34Å; L132-P164 HydrophobicContact CD2-CG 4.02Å; L132-P164 HydrophobicContact CG-CB 4.01Å; L132-P164 HydrophobicContact CG-CG 3.92Å; L132-L180 HydrophobicContact CD1-CD2 4.15Å; L132-L180 HydrophobicContact CD2-CD2 4.2Å; L132-L180 HydrophobicContact CG-CD2 4.3Å
133T96.8Very high95.4Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-64.9-42.4174.8610000111D129 T130 A136 E137 N156 P164 L167D129-T133 VanDerWaalsContact CA-OG1 3.28Å; D129-T133 WeakPolarHBondContact CA-OG1 3.36Å; D129-T133 VanDerWaalsContact CB-OG1 3.24Å; D129-T133 WeakPolarHBondContact CB-OG1 3.34Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å; T130-T133 PolarHBondContact N-OG1 2.85Å; T130-T133 PolarHBondContact O-N 2.89Å; T130-T133 PolarHBondContact O-OG1 3.12Å; T130-T133 VanDerWaalsContact O-OG1 3.04Å; T130-T133 PolarHBondContact OG1-N 3.49Å; T133-A136 PolarHBondContact O-N 2.98Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.3Å; T133-N156 WeakPolarHBondContact CG2-O 3.34Å; T133-P164 HydrophobicContact CG2-CG 3.75Å; T133-L167 HydrophobicContact CG2-CD1 4.25Å; T133-L167 WeakPolarHBondContact O-CD1 3.5Å
134L96.7Very high95.6Very high9 Ų934.6 Ų34.65%0.04717%0.171CC..Hα-helixtrans-64.8-40176.1-66.5173.8000112.9W92 H96 A100 T125 D129 T130 A136 E137 A138W92-L134 HydrophobicContact CH2-CD1 4.49Å; W92-L134 HydrophobicContact CH2-CD2 4.5Å; W92-L134 HydrophobicContact CZ2-CD1 4.24Å; W92-L134 HydrophobicContact CZ2-CD2 4.03Å; H96-L134 HydrophobicContact CB-CD1 3.57Å; A100-L134 HydrophobicContact CB-CB 4.34Å; T125-L134 HydrophobicContact CG2-CD1 4.1Å; D129-L134 HydrophobicContact CB-CD1 4.43Å; D129-L134 HydrophobicContact CB-CD2 3.88Å; D129-L134 HydrophobicContact CB-CG 3.87Å; T130-L134 WeakPolarHBondContact O-CG 3.3Å; T130-L134 PolarHBondContact O-N 2.98Å; T130-L134 VanDerWaalsContact O-N 3.12Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-E137 PolarHBondContact O-N 3.26Å; L134-A138 VanDerWaalsContact O-CB 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.17Å; L134-A138 PolarHBondContact O-N 3.26Å
135A97.3Very high95.8Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-64.2-39.117500000111.8A99 A131 L132 N139 Q140 N143 I144 L147A99-A135 HydrophobicContact CB-CB 4.3Å; A99-A135 WeakPolarHBondContact O-CB 3.26Å; A131-A135 WeakPolarHBondContact O-CB 3.37Å; A131-A135 PolarHBondContact O-N 3.32Å; L132-A135 PolarHBondContact O-N 3.46Å; A135-N139 PolarHBondContact O-N 3.28Å; A135-Q140 PolarHBondContact O-N 3.39Å; A135-N143 HydrophobicContact CB-CB 4.31Å; A135-I144 HydrophobicContact CB-CG1 3.84Å; A135-L147 HydrophobicContact CB-CD1 3.9Å
136A97.1Very high95.9Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-67.4-45.5175.800000112.4L132 T133 L134 A138 N139 I144 P164 L167 A168 L180L132-A136 WeakPolarHBondContact O-CB 3.16Å; L132-A136 PolarHBondContact O-N 2.8Å; T133-A136 PolarHBondContact O-N 2.98Å; L134-A136 VanDerWaalsContact C-N 3.33Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 2.83Å; A136-N139 PolarHBondContact O-N 3.43Å; A136-N139 VanDerWaalsContact O-N 3.08Å; A136-I144 HydrophobicContact CB-CD1 4.29Å; A136-P164 HydrophobicContact CB-CB 4.02Å; A136-P164 VanDerWaalsContact CB-O 3.3Å; A136-P164 WeakPolarHBondContact CB-O 3.42Å; A136-L167 HydrophobicContact CB-CB 4.12Å; A136-A168 HydrophobicContact CB-CB 4.44Å; A136-L180 HydrophobicContact CB-CD1 4.38Å
137E96.1Very high96.1Very high75 Ų7525.8 Ų25.835%0.3514%0.136SC..Hα-helixtrans-63.1-39.6177.4-173.9171.8-153.200112.2T133 L134 N139 L167 Q171T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.3Å; L134-E137 PolarHBondContact O-N 3.26Å; E137-N139 PolarHBondContact O-N 3.05Å; E137-L167 HydrophobicContact CB-CD1 4.37Å; E137-Q171 VanDerWaalsContact O-CD 3.31Å; E137-Q171 WeakPolarHBondContact O-CG 3.49Å; E137-Q171 PolarHBondContact O-NE2 3.1Å; E137-Q171 VanDerWaalsContact O-NE2 3.09Å
138A96Very high96.4Very high37 Ų3722.3 Ų22.331%0.30612%0.117SC..THydrogen-bonded Turntrans-80.52.6175.800000113.8A100 L134 A136 Q140A100-A138 HydrophobicContact CB-CB 4.17Å; A100-A138 WeakPolarHBondContact O-CB 3.18Å; L134-A138 VanDerWaalsContact O-CB 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.17Å; L134-A138 PolarHBondContact O-N 3.26Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 2.83Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 HydrophobicContact CB-CG 3.9Å; A138-Q140 PolarHBondContact O-N 2.86Å; A138-Q140 PolarHBondContact O-NE2 3.2Å
139N96.1Very high96.5Very high58 Ų5831.7 Ų31.731%0.3115%0.151SC..THydrogen-bonded Turntrans51.444.1-176.8-169.328.5000114.6A135 A136 E137 V141 Q171 S173 S176A135-N139 PolarHBondContact O-N 3.28Å; A136-N139 PolarHBondContact O-N 3.43Å; A136-N139 VanDerWaalsContact O-N 3.08Å; E137-N139 PolarHBondContact O-N 3.05Å; N139-V141 PolarHBondContact O-N 2.75Å; N139-Q171 HydrophobicContact CB-CB 4.19Å; N139-Q171 HydrophobicContact CB-CG 4.31Å; N139-S173 WeakPolarHBondContact OD1-CB 3.29Å; N139-S173 PolarHBondContact OD1-OG 3.39Å; N139-S176 PolarHBondContact OD1-OG 3.02Å
140Q96.7Very high96.3Very high41 Ų4135.7 Ų35.719%0.19217%0.169CC..  trans-92.776.5179.6-56.7-53.8-30.800111A135 A138 E142 N143 I144A135-Q140 PolarHBondContact O-N 3.39Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 HydrophobicContact CB-CG 3.9Å; A138-Q140 PolarHBondContact O-N 2.86Å; A138-Q140 PolarHBondContact O-NE2 3.2Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-E142 PolarHBondContact O-N 2.88Å; Q140-N143 HydrophobicContact CB-CB 3.81Å; Q140-N143 WeakPolarHBondContact O-CA 3.42Å; Q140-N143 WeakPolarHBondContact O-CB 3.39Å; Q140-N143 PolarHBondContact O-N 3.01Å; Q140-I144 WeakPolarHBondContact O-CG1 3.35Å; Q140-I144 PolarHBondContact O-N 3.04Å
141V96.4Very high96.1Very high25 Ų2538.5 Ų38.515%0.15220%0.197CC..Hα-helixtrans-48.9-48.1-174179.80000113N139 N143 I144 K145 D175 S176N139-V141 PolarHBondContact O-N 2.75Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.42Å; V141-I144 WeakPolarHBondContact O-CB 3.44Å; V141-I144 PolarHBondContact O-N 3Å; V141-K145 HydrophobicContact CG1-CD 4.36Å; V141-K145 WeakPolarHBondContact O-CG 3.42Å; V141-K145 PolarHBondContact O-N 3.17Å; V141-D175 HydrophobicContact CG1-CB 3.84Å; V141-D175 HydrophobicContact CG2-CB 3.98Å; V141-S176 VanDerWaalsContact CG2-OG 3.29Å; V141-S176 WeakPolarHBondContact CG2-OG 3.45Å
142E96.6Very high96.1Very high95 Ų9538.7 Ų38.744%0.44420%0.199SC..Hα-helixtrans-69.8-33.2-178.2-65.2-52.2123.500112.3T104 Q140 K145 L146T104-E142 HydrophobicContact CG2-CB 4.25Å; T104-E142 WeakPolarHBondContact OG1-CB 3.37Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-E142 PolarHBondContact O-N 2.88Å; E142-K145 PolarHBondContact O-N 2.93Å; E142-K145 IonicContact OE1-NZ 3.75Å; E142-K145 PolarHBondContact OE1-NZ 3.13Å; E142-L146 WeakPolarHBondContact O-CB 3.4Å; E142-L146 PolarHBondContact O-N 2.88Å
143N96.6Very high96Very high1 Ų140.2 Ų40.21%0.00521%0.21CC..Hα-helixtrans-69.8-39.8174-68.40.3000111.5V98 A99 R101 T104 L107 A135 Q140 V141 L146 L147V98-N143 PolarHBondContact O-ND2 3.31Å; A99-N143 PolarHBondContact O-ND2 3.34Å; R101-N143 PolarHBondContact O-ND2 2.97Å; T104-N143 WeakPolarHBondContact CA-OD1 3.44Å; T104-N143 WeakPolarHBondContact CB-OD1 3.37Å; T104-N143 PolarHBondContact OG1-OD1 3.29Å; L107-N143 HydrophobicContact CD2-CB 3.54Å; A135-N143 HydrophobicContact CB-CB 4.31Å; Q140-N143 HydrophobicContact CB-CB 3.81Å; Q140-N143 WeakPolarHBondContact O-CA 3.42Å; Q140-N143 WeakPolarHBondContact O-CB 3.39Å; Q140-N143 PolarHBondContact O-N 3.01Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.42Å; N143-L146 PolarHBondContact O-N 3.11Å; N143-L147 WeakPolarHBondContact O-CB 3.43Å; N143-L147 VanDerWaalsContact O-CG 3.26Å; N143-L147 WeakPolarHBondContact O-CG 3.22Å; N143-L147 PolarHBondContact O-N 3.25Å
144I97.6Very high96Very high0 Ų040.7 Ų40.70%021%0.213CC..Hα-helixtrans-57.5-51.3173.4-67.1166.4000109.7L132 A135 A136 Q140 V141 L146 L147 L148 S176 L180L132-I144 HydrophobicContact CD1-CB 4.37Å; L132-I144 HydrophobicContact CD1-CG1 4.42Å; L132-I144 HydrophobicContact CD1-CG2 4.06Å; A135-I144 HydrophobicContact CB-CG1 3.84Å; A136-I144 HydrophobicContact CB-CD1 4.29Å; Q140-I144 WeakPolarHBondContact O-CG1 3.35Å; Q140-I144 PolarHBondContact O-N 3.04Å; V141-I144 WeakPolarHBondContact O-CB 3.44Å; V141-I144 PolarHBondContact O-N 3Å; I144-L146 VanDerWaalsContact C-N 3.29Å; I144-L146 PolarHBondContact O-N 2.88Å; I144-L147 PolarHBondContact O-N 3.01Å; I144-L148 HydrophobicContact CG2-CD1 3.83Å; I144-L148 HydrophobicContact CG2-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.4Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.42Å; I144-L148 PolarHBondContact O-N 3.04Å; I144-S176 WeakPolarHBondContact CD1-OG 3.47Å; I144-L180 HydrophobicContact CG2-CD2 3.81Å; I144-L180 HydrophobicContact CG2-CG 3.8Å
145K97Very high95.9Very high60 Ų6044.2 Ų44.226%0.26123%0.229SC..Hα-helixtrans-57.8-42.4177.2-70.8171.1-174165.40111.8V141 E142 R149 S179V141-K145 HydrophobicContact CG1-CD 4.36Å; V141-K145 WeakPolarHBondContact O-CG 3.42Å; V141-K145 PolarHBondContact O-N 3.17Å; E142-K145 PolarHBondContact O-N 2.93Å; E142-K145 IonicContact OE1-NZ 3.75Å; E142-K145 PolarHBondContact OE1-NZ 3.13Å; K145-R149 VanDerWaalsContact O-CG 3.26Å; K145-R149 WeakPolarHBondContact O-CG 3.5Å; K145-R149 PolarHBondContact O-N 3.12Å; K145-R149 VanDerWaalsContact O-N 3.09Å; K145-S179 VanDerWaalsContact CE-OG 3.27Å; K145-S179 WeakPolarHBondContact CE-OG 3.47Å
146L95.9Very high95.7Very high21 Ų2146.1 Ų46.111%0.1124%0.239CC..Hα-helixtrans-67.2-47.4-179.3-171.659.8000111.4T104 L107 H108 L111 E142 N143 I144 L148 R149 H150T104-L146 HydrophobicContact CG2-CD2 3.95Å; L107-L146 HydrophobicContact CB-CD2 4.33Å; L107-L146 HydrophobicContact CD2-CB 4.19Å; L107-L146 HydrophobicContact CD2-CD2 3.89Å; L107-L146 HydrophobicContact CD2-CG 4.36Å; L107-L146 HydrophobicContact CG-CD2 3.89Å; H108-L146 HydrophobicContact CB-CD2 4.41Å; L111-L146 HydrophobicContact CD1-CD2 3.92Å; L111-L146 HydrophobicContact CD1-CG 3.78Å; E142-L146 WeakPolarHBondContact O-CB 3.4Å; E142-L146 PolarHBondContact O-N 2.88Å; N143-L146 PolarHBondContact O-N 3.11Å; I144-L146 VanDerWaalsContact C-N 3.29Å; I144-L146 PolarHBondContact O-N 2.88Å; L146-L148 PolarHBondContact O-N 3.42Å; L146-R149 PolarHBondContact O-N 3.26Å; L146-H150 PolarHBondContact O-CD2 3.38Å; L146-H150 VanDerWaalsContact O-CD2 3.27Å; L146-H150 PolarHBondContact O-N 3.44Å; L146-H150 VanDerWaalsContact O-N 3.1Å
147L96.1Very high95.5Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-59-45.2177.5-72.4168.5000111.8L95 A99 L107 L111 A131 L132 A135 N143 I144 R149 H150 G151 A152L95-L147 HydrophobicContact CD1-CD2 4.3Å; A99-L147 HydrophobicContact CB-CD1 4.12Å; L107-L147 HydrophobicContact CD1-CD2 4.1Å; L107-L147 HydrophobicContact CD2-CD2 4.44Å; L107-L147 HydrophobicContact CD2-CG 4.1Å; L111-L147 HydrophobicContact CD2-CD2 4.39Å; A131-L147 HydrophobicContact CB-CD1 4.18Å; A131-L147 HydrophobicContact CB-CD2 4.16Å; L132-L147 HydrophobicContact CB-CD1 4.43Å; L132-L147 HydrophobicContact CD1-CB 4.07Å; L132-L147 HydrophobicContact CD1-CD1 4.22Å; A135-L147 HydrophobicContact CB-CD1 3.9Å; N143-L147 WeakPolarHBondContact O-CB 3.43Å; N143-L147 VanDerWaalsContact O-CG 3.26Å; N143-L147 WeakPolarHBondContact O-CG 3.22Å; N143-L147 PolarHBondContact O-N 3.25Å; I144-L147 PolarHBondContact O-N 3.01Å; L147-R149 PolarHBondContact O-N 2.9Å; L147-H150 CarbonylContact O-C 3.57Å; L147-H150 PolarHBondContact O-N 3.04Å; L147-H150 VanDerWaalsContact O-N 3.15Å; L147-G151 PolarHBondContact O-N 2.92Å; L147-A152 HydrophobicContact CB-CB 3.9Å; L147-A152 VanDerWaalsContact O-CB 3.24Å; L147-A152 WeakPolarHBondContact O-CB 3.49Å; L147-A152 PolarHBondContact O-N 3.28Å
148L96.5Very high95.4Very high28 Ų2843.6 Ų43.615%0.14723%0.229CC..Hα-helixtrans-61.7-42.4176.8-68.9168.1000112.2L132 I144 L146 H150 G151 P154 S179 L180L132-L148 HydrophobicContact CD1-CD2 4.48Å; L132-L148 HydrophobicContact CD1-CG 4.32Å; L132-L148 HydrophobicContact CD2-CD2 3.82Å; I144-L148 HydrophobicContact CG2-CD1 3.83Å; I144-L148 HydrophobicContact CG2-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.4Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.42Å; I144-L148 PolarHBondContact O-N 3.04Å; L146-L148 PolarHBondContact O-N 3.42Å; L148-H150 PolarHBondContact O-N 3.2Å; L148-G151 PolarHBondContact O-N 3.12Å; L148-P154 HydrophobicContact CD2-CB 4.09Å; L148-P154 HydrophobicContact CD2-CG 4.48Å; L148-S179 VanDerWaalsContact CD1-O 3.32Å; L148-S179 WeakPolarHBondContact CD1-O 3.27Å; L148-L180 HydrophobicContact CD1-CD2 4.26Å; L148-L180 HydrophobicContact CD2-CD2 4.49Å
149R94.7Very high95.2Very high202 Ų20244.6 Ų44.676%0.76223%0.234SC*.Hα-helixtrans-62.3-29.9175.8-75.2173.1-176.2174.13.9113K145 L146 L147 G151K145-R149 VanDerWaalsContact O-CG 3.26Å; K145-R149 WeakPolarHBondContact O-CG 3.5Å; K145-R149 PolarHBondContact O-N 3.12Å; K145-R149 VanDerWaalsContact O-N 3.09Å; L146-R149 PolarHBondContact O-N 3.26Å; L147-R149 PolarHBondContact O-N 2.9Å; R149-G151 VanDerWaalsContact C-N 3.3Å
150H92.8Very high94.7Very high95 Ų9547.8 Ų47.844%0.4424%0.242SC..THydrogen-bonded Turntrans-87.96.7176.3-79.4-88.2000113.5L121 L146 L147 L148L121-H150 HydrophobicContact CD1-CB 3.93Å; L121-H150 WeakPolarHBondContact CD1-O 3.41Å; L146-H150 PolarHBondContact O-CD2 3.38Å; L146-H150 VanDerWaalsContact O-CD2 3.27Å; L146-H150 PolarHBondContact O-N 3.44Å; L146-H150 VanDerWaalsContact O-N 3.1Å; L147-H150 CarbonylContact O-C 3.57Å; L147-H150 PolarHBondContact O-N 3.04Å; L147-H150 VanDerWaalsContact O-N 3.15Å; L148-H150 PolarHBondContact O-N 3.2Å
151G92.1Very high94.5Very high59 Ų5949.1 Ų49.161%0.60825%0.25SC*.THydrogen-bonded Turntrans92.814.7172.200000115.2L147 L148 R149 S153L147-G151 PolarHBondContact O-N 2.92Å; L148-G151 PolarHBondContact O-N 3.12Å; R149-G151 VanDerWaalsContact C-N 3.3Å; G151-S153 PolarHBondContact O-N 3.26Å
152A95.1Very high94.3Very high6 Ų648.5 Ų48.55%0.0525%0.245CC..  trans-62.4131.8173.200000110.5L121 E122 L132 L147 P154L121-A152 HydrophobicContact CB-CB 4.31Å; L121-A152 HydrophobicContact CD1-CB 3.97Å; E122-A152 VanDerWaalsContact OE1-CA 3.31Å; E122-A152 WeakPolarHBondContact OE1-CA 3.35Å; L132-A152 HydrophobicContact CB-CB 4.4Å; L132-A152 HydrophobicContact CD2-CB 4.23Å; L147-A152 HydrophobicContact CB-CB 3.9Å; L147-A152 VanDerWaalsContact O-CB 3.24Å; L147-A152 WeakPolarHBondContact O-CB 3.49Å; L147-A152 PolarHBondContact O-N 3.28Å; A152-P154 WeakPolarHBondContact O-CD 3.31Å
153S96.1Very high94.2Very high32 Ų3244.1 Ų44.122%0.22423%0.225CC..  trans-74.7121.6-178.6177.20000111.3E122 L132 G151 H155E122-S153 PolarHBondContact OE1-N 2.95Å; L132-S153 WeakPolarHBondContact CD2-O 3.45Å; G151-S153 PolarHBondContact O-N 3.26Å; S153-H155 PolarHBondContact O-N 3.26Å; S153-H155 PolarHBondContact OG-N 3.15Å
154P95.6Very high94.3Very high10 Ų1044.1 Ų44.17%0.06523%0.225CC..THydrogen-bonded Turntrans-72.8-3.1175.132.8-36.9000113.5L132 L148 A152 P164 A185L132-P154 HydrophobicContact CD2-CB 4.38Å; L148-P154 HydrophobicContact CD2-CB 4.09Å; L148-P154 HydrophobicContact CD2-CG 4.48Å; A152-P154 WeakPolarHBondContact O-CD 3.31Å; P154-P164 WeakPolarHBondContact O-CD 3.4Å; P154-A185 HydrophobicContact CB-CB 3.82Å; P154-A185 HydrophobicContact CG-CB 4.44Å
155H95Very high94.2Very high83 Ų8344.1 Ų44.138%0.38423%0.225SC..THydrogen-bonded Turntrans-96.9-16.5-176.2-53.6-61.9000113.3S153 T157 G184 Q189S153-H155 PolarHBondContact O-N 3.26Å; S153-H155 PolarHBondContact OG-N 3.15Å; H155-T157 PolarHBondContact O-N 3.21Å; H155-G184 PolarHBondContact CE1-O 2.93Å; H155-G184 PolarHBondContact NE2-O 3.2Å; H155-Q189 PolarHBondContact O-NE2 3.45Å
156N94Very high94.2Very high40 Ų4041.4 Ų41.421%0.21421%0.214CC..  trans-73.6123.9-175.8-77.9-18.1000110.7E122 T130 T133 P164E122-N156 WeakPolarHBondContact CG-ND2 3.29Å; E122-N156 PolarHBondContact OE2-ND2 2.95Å; T130-N156 HydrophobicContact CG2-CB 3.9Å; T133-N156 WeakPolarHBondContact CG2-O 3.34Å; N156-P164 WeakPolarHBondContact O-CD 3.41Å
157T93.6Very high94.2Very high19 Ų1940.5 Ų40.512%0.11721%0.209CC..  trans-101.5158.3-176.561.10000112.3R124 H155 E162R124-T157 PolarHBondContact NH1-O 2.98Å; H155-T157 PolarHBondContact O-N 3.21Å; T157-E162 VanDerWaalsContact CA-O 3.23Å; T157-E162 WeakPolarHBondContact CA-O 3.28Å; T157-E162 WeakPolarHBondContact CB-O 3.41Å
158N92.7Very high94.2Very high4 Ų440.5 Ų40.52%0.02121%0.209CC..  trans-72.2-177.3166.971.111.8000112.3G128 D129 R160 N161 E162G128-N158 WeakPolarHBondContact O-CA 3.37Å; D129-N158 WeakPolarHBondContact OD1-CB 3.4Å; D129-N158 PolarHBondContact OD1-ND2 3.22Å; N158-R160 PolarHBondContact O-N 2.93Å; N158-R160 VanDerWaalsContact O-N 3.1Å; N158-R160 WeakPolarHBondContact OD1-CA 3.45Å; N158-R160 WeakPolarHBondContact OD1-CB 3.48Å; N158-R160 PolarHBondContact OD1-N 2.86Å; N158-N161 PolarHBondContact O-N 2.93Å; N158-N161 PolarHBondContact OD1-N 3.27Å; N158-E162 PolarHBondContact N-O 3.16Å; N158-E162 PolarHBondContact ND2-OE2 2.59Å; N158-E162 WeakPolarHBondContact OD1-CB 3.45Å; N158-E162 PolarHBondContact OD1-N 3.35Å
159S91.4Very high94.2Very high58 Ų5839.1 Ų39.141%0.40620%0.202SC..THydrogen-bonded Turntrans-64.6-11.7-179.7-66.90000114.4D127 G128D127-S159 WeakPolarHBondContact O-CB 3.35Å; D127-S159 PolarHBondContact O-N 3.26Å; D127-S159 PolarHBondContact O-OG 2.98Å; G128-S159 WeakPolarHBondContact CA-OG 3.35Å; G128-S159 PolarHBondContact N-OG 3.34Å
160R86.9Confident94.2Very high125 Ų12533.4 Ų33.447%0.47218%0.18SC..THydrogen-bonded Turntrans-95.19.8173.2-60.8-171.9-64.2-163.4-5.9112.9N158 E162N158-R160 PolarHBondContact O-N 2.93Å; N158-R160 VanDerWaalsContact O-N 3.1Å; N158-R160 WeakPolarHBondContact OD1-CA 3.45Å; N158-R160 WeakPolarHBondContact OD1-CB 3.48Å; N158-R160 PolarHBondContact OD1-N 2.86Å; R160-E162 HydrophobicContact CB-CG 3.93Å; R160-E162 IonicContact CZ-OE1 3.69Å; R160-E162 IonicContact CZ-OE2 3.45Å; R160-E162 IonicContact NE-OE1 2.89Å; R160-E162 IonicContact NE-OE2 3.61Å; R160-E162 PolarHBondContact NE-OE2 3.38Å; R160-E162 IonicContact NH2-OE1 3.1Å; R160-E162 IonicContact NH2-OE2 2.73Å; R160-E162 PolarHBondContact NH2-OE2 2.78Å; R160-E162 PolarHBondContact O-N 3.01Å
161N90.9Very high94.4Very high69 Ų6933 Ų3337%0.36918%0.178SC..  trans55.127.6-169.4-68.2-0.1000113.9N158 C191 L192N158-N161 PolarHBondContact O-N 2.93Å; N158-N161 PolarHBondContact OD1-N 3.27Å; N161-C191 HydrophobicContact CB-CB 4.32Å; N161-C191 WeakPolarHBondContact O-CA 3.38Å; N161-C191 WeakPolarHBondContact O-CB 3.22Å; N161-L192 HydrophobicContact CB-CD2 4.4Å; N161-L192 HydrophobicContact CB-CG 4.08Å
162E93.3Very high94.5Very high12 Ų1233 Ų336%0.05617%0.169CC..  trans-82.6125.5175-58.8175.5122.700110.1T157 N158 R160 L166 L167 R170T157-E162 VanDerWaalsContact CA-O 3.23Å; T157-E162 WeakPolarHBondContact CA-O 3.28Å; T157-E162 WeakPolarHBondContact CB-O 3.41Å; N158-E162 PolarHBondContact N-O 3.16Å; N158-E162 PolarHBondContact ND2-OE2 2.59Å; N158-E162 WeakPolarHBondContact OD1-CB 3.45Å; N158-E162 PolarHBondContact OD1-N 3.35Å; R160-E162 HydrophobicContact CB-CG 3.93Å; R160-E162 IonicContact CZ-OE1 3.69Å; R160-E162 IonicContact CZ-OE2 3.45Å; R160-E162 IonicContact NE-OE1 2.89Å; R160-E162 IonicContact NE-OE2 3.61Å; R160-E162 PolarHBondContact NE-OE2 3.38Å; R160-E162 IonicContact NH2-OE1 3.1Å; R160-E162 IonicContact NH2-OE2 2.73Å; R160-E162 PolarHBondContact NH2-OE2 2.78Å; R160-E162 PolarHBondContact O-N 3.01Å; E162-L166 HydrophobicContact CB-CD2 4.11Å; E162-L166 HydrophobicContact CG-CD2 4.04Å; E162-L167 HydrophobicContact CB-CD2 4.2Å; E162-L167 HydrophobicContact CB-CG 4.33Å; E162-R170 IonicContact OE1-CZ 2.88Å; E162-R170 VanDerWaalsContact OE1-CZ 3.24Å; E162-R170 IonicContact OE1-NH1 2.72Å; E162-R170 PolarHBondContact OE1-NH1 3.33Å; E162-R170 IonicContact OE1-NH2 3.45Å; E162-R170 PolarHBondContact OE1-NH2 2.91Å; E162-R170 IonicContact OE2-NH1 3.51Å
163S95.3Very high94.5Very high3 Ų333.3 Ų33.32%0.02117%0.171CC..  trans-79.7156175.668.20000111.2L165 L166 L167S163-L165 PolarHBondContact O-N 3.22Å; S163-L165 VanDerWaalsContact O-N 3.17Å; S163-L166 PolarHBondContact O-N 2.94Å; S163-L166 VanDerWaalsContact O-N 3.09Å; S163-L166 PolarHBondContact OG-N 3.29Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.95Å; S163-L167 VanDerWaalsContact O-N 3.09Å
164P96.9Very high94.4Very high0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-52.1-36.1170.1-25.532.5000112.6L132 T133 A136 P154 N156 L167 A168 L180L132-P164 HydrophobicContact CB-CG 4.41Å; L132-P164 HydrophobicContact CD2-CB 4.34Å; L132-P164 HydrophobicContact CD2-CG 4.02Å; L132-P164 HydrophobicContact CG-CB 4.01Å; L132-P164 HydrophobicContact CG-CG 3.92Å; T133-P164 HydrophobicContact CG2-CG 3.75Å; A136-P164 HydrophobicContact CB-CB 4.02Å; A136-P164 VanDerWaalsContact CB-O 3.3Å; A136-P164 WeakPolarHBondContact CB-O 3.42Å; P154-P164 WeakPolarHBondContact O-CD 3.4Å; N156-P164 WeakPolarHBondContact O-CD 3.41Å; P164-L167 PolarHBondContact O-N 3.47Å; P164-A168 WeakPolarHBondContact O-CB 3.35Å; P164-A168 PolarHBondContact O-N 3Å; P164-L180 HydrophobicContact CB-CD1 4.16Å; P164-L180 HydrophobicContact CB-CD2 3.78Å; P164-L180 WeakPolarHBondContact O-CD1 3.43Å
165L97.3Very high94.5Very high1 Ų138.7 Ų38.71%0.00520%0.2CC..Hα-helixtrans-61.9-48.7177.1-178.363.3000111.5S163 L167 A168 V169 V177 L180 I181 A185 A197 L213S163-L165 PolarHBondContact O-N 3.22Å; S163-L165 VanDerWaalsContact O-N 3.17Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L167 PolarHBondContact O-N 3.06Å; L165-A168 PolarHBondContact O-N 3.14Å; L165-V169 WeakPolarHBondContact O-CG2 3.31Å; L165-V169 PolarHBondContact O-N 3.21Å; L165-V177 HydrophobicContact CD1-CB 4.45Å; L165-V177 HydrophobicContact CD1-CG1 3.84Å; L165-L180 HydrophobicContact CD1-CB 4.21Å; L165-I181 HydrophobicContact CD1-CD1 4.36Å; L165-I181 HydrophobicContact CD1-CG1 3.9Å; L165-A185 HydrophobicContact CB-CB 4.18Å; L165-A185 HydrophobicContact CD2-CB 4.21Å; L165-A197 HydrophobicContact CD2-CB 4.09Å; L165-A197 HydrophobicContact CG-CB 4.1Å; L165-L213 HydrophobicContact CD1-CD2 4.43Å; L165-L213 HydrophobicContact CD2-CD2 4.23Å
166L95.6Very high94.6Very high3 Ų334.7 Ų34.72%0.01618%0.181CC..Hα-helixtrans-59.8-44.2178.1179.863.9000111.5E162 S163 A168 V169 R170 C191 E200E162-L166 HydrophobicContact CB-CD2 4.11Å; E162-L166 HydrophobicContact CG-CD2 4.04Å; S163-L166 PolarHBondContact O-N 2.94Å; S163-L166 VanDerWaalsContact O-N 3.09Å; S163-L166 PolarHBondContact OG-N 3.29Å; L166-A168 PolarHBondContact O-N 3.4Å; L166-V169 PolarHBondContact O-N 3.23Å; L166-R170 PolarHBondContact O-N 3.05Å; L166-C191 HydrophobicContact CD2-CB 4.2Å; L166-E200 HydrophobicContact CD1-CB 3.54Å; L166-E200 HydrophobicContact CD1-CG 3.94Å
167L95.8Very high94.8Very high1 Ų132.8 Ų32.81%0.00517%0.171CC..Hα-helixtrans-62-42.2177.4-63.4171.1000111.7T133 A136 E137 E162 S163 P164 L165 R170 Q171T133-L167 HydrophobicContact CG2-CD1 4.25Å; T133-L167 WeakPolarHBondContact O-CD1 3.5Å; A136-L167 HydrophobicContact CB-CB 4.12Å; E137-L167 HydrophobicContact CB-CD1 4.37Å; E162-L167 HydrophobicContact CB-CD2 4.2Å; E162-L167 HydrophobicContact CB-CG 4.33Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.95Å; S163-L167 VanDerWaalsContact O-N 3.09Å; P164-L167 PolarHBondContact O-N 3.47Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L167 PolarHBondContact O-N 3.06Å; L167-R170 WeakPolarHBondContact O-CB 3.41Å; L167-R170 PolarHBondContact O-N 3.05Å; L167-Q171 WeakPolarHBondContact O-CG 3.24Å; L167-Q171 PolarHBondContact O-N 3.33Å
168A97Very high95Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-65.4-37.3176.400000113.1A136 P164 L165 L166 Q171 S172 S173 V177 L180A136-A168 HydrophobicContact CB-CB 4.44Å; P164-A168 WeakPolarHBondContact O-CB 3.35Å; P164-A168 PolarHBondContact O-N 3Å; L165-A168 PolarHBondContact O-N 3.14Å; L166-A168 PolarHBondContact O-N 3.4Å; A168-Q171 PolarHBondContact O-N 3.44Å; A168-S172 PolarHBondContact O-N 3.2Å; A168-S173 PolarHBondContact O-N 3.29Å; A168-V177 HydrophobicContact CB-CG2 3.92Å; A168-L180 HydrophobicContact CB-CD1 3.56Å
169V96.9Very high95.2Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-63.8-43.1174.5171.60000110.9L165 L166 Q171 S172 V177 A197 E200 A201 I209 L213L165-V169 WeakPolarHBondContact O-CG2 3.31Å; L165-V169 PolarHBondContact O-N 3.21Å; L166-V169 PolarHBondContact O-N 3.23Å; V169-Q171 PolarHBondContact O-N 3.11Å; V169-S172 WeakPolarHBondContact O-CA 3.46Å; V169-S172 PolarHBondContact O-N 2.92Å; V169-V177 HydrophobicContact CB-CG2 4.4Å; V169-V177 HydrophobicContact CG2-CG1 4.38Å; V169-V177 HydrophobicContact CG2-CG2 3.64Å; V169-A197 HydrophobicContact CG2-CB 4.09Å; V169-E200 HydrophobicContact CB-CG 4.41Å; V169-E200 HydrophobicContact CG1-CB 3.79Å; V169-E200 HydrophobicContact CG1-CG 3.85Å; V169-A201 HydrophobicContact CG1-CB 3.83Å; V169-I209 HydrophobicContact CB-CG2 4.37Å; V169-I209 HydrophobicContact CG1-CG2 3.98Å; V169-I209 HydrophobicContact CG2-CG2 3.76Å; V169-L213 HydrophobicContact CG2-CD1 4.28Å
170R94.9Very high95.5Very high82 Ų8233.7 Ų33.731%0.30917%0.169SC..Hα-helixtrans-58.6-36.7176.2-173.6175.5-61.4145.4-0.4112.3E162 L166 L167 S172 E200E162-R170 IonicContact OE1-CZ 2.88Å; E162-R170 VanDerWaalsContact OE1-CZ 3.24Å; E162-R170 IonicContact OE1-NH1 2.72Å; E162-R170 PolarHBondContact OE1-NH1 3.33Å; E162-R170 IonicContact OE1-NH2 3.45Å; E162-R170 PolarHBondContact OE1-NH2 2.91Å; E162-R170 IonicContact OE2-NH1 3.51Å; L166-R170 PolarHBondContact O-N 3.05Å; L167-R170 WeakPolarHBondContact O-CB 3.41Å; L167-R170 PolarHBondContact O-N 3.05Å; R170-S172 PolarHBondContact O-N 3.33Å; R170-E200 HydrophobicContact CB-CG 4.16Å; R170-E200 WeakPolarHBondContact CB-OE1 3.33Å; R170-E200 VanDerWaalsContact CG-OE1 3.31Å; R170-E200 WeakPolarHBondContact CG-OE1 3.29Å; R170-E200 IonicContact CZ-OE1 2.73Å; R170-E200 IonicContact NE-OE1 2.75Å; R170-E200 PolarHBondContact NE-OE1 3Å
171Q95.3Very high96Very high86 Ų8628.5 Ų28.540%0.40215%0.15SC..THydrogen-bonded Turntrans-74.80.8174.1-61.7-55.2-27.700114E137 N139 L167 A168 V169 S173E137-Q171 VanDerWaalsContact O-CD 3.31Å; E137-Q171 WeakPolarHBondContact O-CG 3.49Å; E137-Q171 PolarHBondContact O-NE2 3.1Å; E137-Q171 VanDerWaalsContact O-NE2 3.09Å; N139-Q171 HydrophobicContact CB-CB 4.19Å; N139-Q171 HydrophobicContact CB-CG 4.31Å; L167-Q171 WeakPolarHBondContact O-CG 3.24Å; L167-Q171 PolarHBondContact O-N 3.33Å; A168-Q171 PolarHBondContact O-N 3.44Å; V169-Q171 PolarHBondContact O-N 3.11Å; Q171-S173 PolarHBondContact O-N 3.06Å; Q171-S173 VanDerWaalsContact O-N 3.13Å
172S94.5Very high96.3Very high59 Ų5931.4 Ų31.441%0.41316%0.163SC..THydrogen-bonded Turntrans55.527.3-178.6-52.20000113.9A168 V169 R170 V204A168-S172 PolarHBondContact O-N 3.2Å; V169-S172 WeakPolarHBondContact O-CA 3.46Å; V169-S172 PolarHBondContact O-N 2.92Å; R170-S172 PolarHBondContact O-N 3.33Å; S172-V204 WeakPolarHBondContact OG-CG1 3.42Å
173S94.9Very high96.3Very high12 Ų1232.5 Ų32.58%0.08418%0.177CC..  trans-97.1100.3-175-178.30000111.7N139 A168 Q171 D175 S176 V177N139-S173 WeakPolarHBondContact OD1-CB 3.29Å; N139-S173 PolarHBondContact OD1-OG 3.39Å; A168-S173 PolarHBondContact O-N 3.29Å; Q171-S173 PolarHBondContact O-N 3.06Å; Q171-S173 VanDerWaalsContact O-N 3.13Å; S173-D175 PolarHBondContact O-N 3.14Å; S173-S176 PolarHBondContact O-N 2.94Å; S173-S176 WeakPolarHBondContact OG-CB 3.49Å; S173-S176 PolarHBondContact OG-N 3.29Å; S173-S176 PolarHBondContact OG-OG 3.29Å; S173-V177 VanDerWaalsContact O-CG2 3.27Å; S173-V177 WeakPolarHBondContact O-CG2 3.46Å; S173-V177 PolarHBondContact O-N 3.13Å
174C95.5Very high96.3Very high49 Ų4934.4 Ų34.433%0.33120%0.197SC..Hα-helixtrans-56.9-38.7178.1-67.80000112.2H178C174-H178 WeakPolarHBondContact O-CB 3.24Å; C174-H178 PolarHBondContact O-N 3.33Å
175D96.6Very high96.2Very high106 Ų10634.8 Ų34.857%0.56720%0.2SC*.Hα-helixtrans-70.2-40.4-178.2-66.7-32.4000112.6V141 S173 S179V141-D175 HydrophobicContact CG1-CB 3.84Å; V141-D175 HydrophobicContact CG2-CB 3.98Å; S173-D175 PolarHBondContact O-N 3.14Å; D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.39Å; D175-S179 PolarHBondContact O-N 2.94Å; D175-S179 PolarHBondContact O-OG 3.02Å
176S97.1Very high96.1Very high0 Ų040.4 Ų40.40%023%0.225CC..Hα-helixtrans-65.2-46.6175-68.50000110.7N139 V141 I144 S173 S179 L180N139-S176 PolarHBondContact OD1-OG 3.02Å; V141-S176 VanDerWaalsContact CG2-OG 3.29Å; V141-S176 WeakPolarHBondContact CG2-OG 3.45Å; I144-S176 WeakPolarHBondContact CD1-OG 3.47Å; S173-S176 PolarHBondContact O-N 2.94Å; S173-S176 WeakPolarHBondContact OG-CB 3.49Å; S173-S176 PolarHBondContact OG-N 3.29Å; S173-S176 PolarHBondContact OG-OG 3.29Å; S176-S179 PolarHBondContact O-N 2.96Å; S176-L180 WeakPolarHBondContact O-CB 3.19Å; S176-L180 WeakPolarHBondContact O-CD1 3.47Å; S176-L180 VanDerWaalsContact O-CG 3.31Å; S176-L180 WeakPolarHBondContact O-CG 3.34Å; S176-L180 PolarHBondContact O-N 3.28Å
177V97.6Very high96Very high0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-59.7-48.5176.6174.10000110.7L165 A168 V169 S173 S179 L180 I181 I209 L212 L213L165-V177 HydrophobicContact CD1-CB 4.45Å; L165-V177 HydrophobicContact CD1-CG1 3.84Å; A168-V177 HydrophobicContact CB-CG2 3.92Å; V169-V177 HydrophobicContact CB-CG2 4.4Å; V169-V177 HydrophobicContact CG2-CG1 4.38Å; V169-V177 HydrophobicContact CG2-CG2 3.64Å; S173-V177 VanDerWaalsContact O-CG2 3.27Å; S173-V177 WeakPolarHBondContact O-CG2 3.46Å; S173-V177 PolarHBondContact O-N 3.13Å; V177-S179 PolarHBondContact O-N 3Å; V177-L180 PolarHBondContact O-N 3.42Å; V177-I181 HydrophobicContact CG1-CD1 3.78Å; V177-I181 HydrophobicContact CG1-CG1 4.48Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 3.2Å; V177-I209 HydrophobicContact CG1-CG2 4.25Å; V177-I209 HydrophobicContact CG2-CD1 4.22Å; V177-I209 HydrophobicContact CG2-CG1 4.41Å; V177-I209 HydrophobicContact CG2-CG2 4.27Å; V177-L212 HydrophobicContact CB-CD2 4.34Å; V177-L212 HydrophobicContact CG1-CD2 3.74Å; V177-L213 HydrophobicContact CG1-CD2 4.38Å
178H97.5Very high95.8Very high86 Ų8641.9 Ų41.940%0.39823%0.233SC..Hα-helixtrans-60.7-44.5177.6-179-85.5000111.8C174 L180 I181 M182 L212C174-H178 WeakPolarHBondContact O-CB 3.24Å; C174-H178 PolarHBondContact O-N 3.33Å; H178-L180 VanDerWaalsContact C-N 3.32Å; H178-L180 PolarHBondContact O-N 3.28Å; H178-I181 PolarHBondContact O-N 3.3Å; H178-M182 WeakPolarHBondContact O-CB 3.12Å; H178-M182 VanDerWaalsContact O-CG 3.23Å; H178-M182 WeakPolarHBondContact O-CG 3.29Å; H178-M182 PolarHBondContact O-N 3.39Å; H178-L212 HydrophobicContact CB-CD2 3.9Å
179S97.6Very high95.5Very high13 Ų1343.5 Ų43.59%0.09124%0.24CC..Hα-helixtrans-61.9-40.5178.5-59.10000111.9K145 L148 D175 S176 V177 G183K145-S179 VanDerWaalsContact CE-OG 3.27Å; K145-S179 WeakPolarHBondContact CE-OG 3.47Å; L148-S179 VanDerWaalsContact CD1-O 3.32Å; L148-S179 WeakPolarHBondContact CD1-O 3.27Å; D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.39Å; D175-S179 PolarHBondContact O-N 2.94Å; D175-S179 PolarHBondContact O-OG 3.02Å; S176-S179 PolarHBondContact O-N 2.96Å; V177-S179 PolarHBondContact O-N 3Å; S179-G183 PolarHBondContact O-N 3.47Å
180L97.9Very high95.2Very high0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-68.6-44.6178-73.5163.4000112.3L132 A136 I144 L148 P164 L165 A168 S176 V177 H178 G183 G184 A185L132-L180 HydrophobicContact CD1-CD2 4.15Å; L132-L180 HydrophobicContact CD2-CD2 4.2Å; L132-L180 HydrophobicContact CG-CD2 4.3Å; A136-L180 HydrophobicContact CB-CD1 4.38Å; I144-L180 HydrophobicContact CG2-CD2 3.81Å; I144-L180 HydrophobicContact CG2-CG 3.8Å; L148-L180 HydrophobicContact CD1-CD2 4.26Å; L148-L180 HydrophobicContact CD2-CD2 4.49Å; P164-L180 HydrophobicContact CB-CD1 4.16Å; P164-L180 HydrophobicContact CB-CD2 3.78Å; P164-L180 WeakPolarHBondContact O-CD1 3.43Å; L165-L180 HydrophobicContact CD1-CB 4.21Å; A168-L180 HydrophobicContact CB-CD1 3.56Å; S176-L180 WeakPolarHBondContact O-CB 3.19Å; S176-L180 WeakPolarHBondContact O-CD1 3.47Å; S176-L180 VanDerWaalsContact O-CG 3.31Å; S176-L180 WeakPolarHBondContact O-CG 3.34Å; S176-L180 PolarHBondContact O-N 3.28Å; V177-L180 PolarHBondContact O-N 3.42Å; H178-L180 VanDerWaalsContact C-N 3.32Å; H178-L180 PolarHBondContact O-N 3.28Å; L180-G183 CarbonylContact O-C 3.59Å; L180-G183 WeakPolarHBondContact O-CA 3.43Å; L180-G183 PolarHBondContact O-N 3.47Å; L180-G183 VanDerWaalsContact O-N 3.13Å; L180-G184 PolarHBondContact O-N 2.98Å; L180-A185 HydrophobicContact CB-CB 4.09Å; L180-A185 WeakPolarHBondContact O-CB 3.09Å; L180-A185 PolarHBondContact O-N 3.22Å
181I97.3Very high94.9Very high16 Ų1643.9 Ų43.98%0.08225%0.252CS..Hα-helixtrans-61.6-46.3176.3-68.6170.7000110.6L165 V177 H178 G183 G184 V187 L212 L213 H216L165-I181 HydrophobicContact CD1-CD1 4.36Å; L165-I181 HydrophobicContact CD1-CG1 3.9Å; V177-I181 HydrophobicContact CG1-CD1 3.78Å; V177-I181 HydrophobicContact CG1-CG1 4.48Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 3.2Å; H178-I181 PolarHBondContact O-N 3.3Å; I181-G183 PolarHBondContact O-N 3.29Å; I181-G184 PolarHBondContact O-N 3.12Å; I181-V187 HydrophobicContact CD1-CG2 4.42Å; I181-V187 HydrophobicContact CG1-CG2 4.3Å; I181-L212 HydrophobicContact CD1-CD2 4.09Å; I181-L212 HydrophobicContact CD1-CG 3.92Å; I181-L213 HydrophobicContact CD1-CD2 4.03Å; I181-H216 HydrophobicContact CG2-CB 3.86Å; I181-H216 VanDerWaalsContact CG2-CG 3.49Å
182M96.5Very high94.3Very high131 Ų13143.6 Ų43.665%0.64525%0.253SS*.Hα-helixtrans-67.7-23.9176.6-64.4-60.8-85.900112.6H178 G184H178-M182 WeakPolarHBondContact O-CB 3.12Å; H178-M182 VanDerWaalsContact O-CG 3.23Å; H178-M182 WeakPolarHBondContact O-CG 3.29Å; H178-M182 PolarHBondContact O-N 3.39Å; M182-G184 PolarHBondContact O-N 2.95Å
183G94.5Very high93.8Very high34 Ų3443 Ų4335%0.35125%0.247SC..THydrogen-bonded Turntrans-77.3-0.1169.800000114.5S179 L180 I181S179-G183 PolarHBondContact O-N 3.47Å; L180-G183 CarbonylContact O-C 3.59Å; L180-G183 WeakPolarHBondContact O-CA 3.43Å; L180-G183 PolarHBondContact O-N 3.47Å; L180-G183 VanDerWaalsContact O-N 3.13Å; I181-G183 PolarHBondContact O-N 3.29Å
184G94.8Very high93.7Very high43 Ų4347.1 Ų47.144%0.44326%0.263SS..THydrogen-bonded Turntrans97.110.7177.300000115.1H155 L180 I181 M182 F186H155-G184 PolarHBondContact CE1-O 2.93Å; H155-G184 PolarHBondContact NE2-O 3.2Å; L180-G184 PolarHBondContact O-N 2.98Å; I181-G184 PolarHBondContact O-N 3.12Å; M182-G184 PolarHBondContact O-N 2.95Å; G184-F186 PolarHBondContact O-N 3.07Å
185A95.9Very high93.6Very high8 Ų846.4 Ų46.47%0.06625%0.253CS..  trans-56.6133.2177.100000111.6P154 L165 L180 V187P154-A185 HydrophobicContact CB-CB 3.82Å; P154-A185 HydrophobicContact CG-CB 4.44Å; L165-A185 HydrophobicContact CB-CB 4.18Å; L165-A185 HydrophobicContact CD2-CB 4.21Å; L180-A185 HydrophobicContact CB-CB 4.09Å; L180-A185 WeakPolarHBondContact O-CB 3.09Å; L180-A185 PolarHBondContact O-N 3.22Å; A185-V187 PolarHBondContact O-N 3.41Å
186F93.4Very high93.5Very high119 Ų11941.4 Ų41.452%0.52223%0.227SC..  trans-78.8116.5177.2-176.2-121.4000109.8G184 E188 Q189G184-F186 PolarHBondContact O-N 3.07Å; F186-E188 VanDerWaalsContact C-N 3.29Å; F186-E188 VanDerWaalsContact CD1-C 3.49Å; F186-E188 HydrophobicContact CD1-CB 4.26Å; F186-E188 HydrophobicContact CE1-CB 3.52Å; F186-E188 WeakPolarHBondContact CE1-O 3.42Å; F186-E188 HydrophobicContact CE2-CB 4.2Å; F186-E188 HydrophobicContact CZ-CB 3.5Å; F186-E188 PolarHBondContact O-N 2.9Å; F186-Q189 HydrophobicContact CB-CB 4.39Å; F186-Q189 HydrophobicContact CD1-CB 3.96Å; F186-Q189 VanDerWaalsContact CD1-N 3.27Å; F186-Q189 VanDerWaalsContact O-CB 3.31Å; F186-Q189 WeakPolarHBondContact O-CB 3.37Å; F186-Q189 PolarHBondContact O-N 3.32Å
187V93.5Very high93.4Very high9 Ų941.5 Ų41.56%0.05523%0.227CC..THydrogen-bonded Turntrans-63.7-35.4-175175.30000112.4I181 A185 Q189 L213 H216 A218I181-V187 HydrophobicContact CD1-CG2 4.42Å; I181-V187 HydrophobicContact CG1-CG2 4.3Å; A185-V187 PolarHBondContact O-N 3.41Å; V187-Q189 VanDerWaalsContact C-N 3.26Å; V187-Q189 PolarHBondContact O-N 3.39Å; V187-L213 HydrophobicContact CG1-CB 4.09Å; V187-L213 HydrophobicContact CG1-CD2 3.86Å; V187-H216 HydrophobicContact CG2-CB 4.06Å; V187-A218 HydrophobicContact CG1-CB 3.55Å
188E91.8Very high93.4Very high27 Ų2741.5 Ų41.513%0.12623%0.228CC..THydrogen-bonded Turntrans-91.219.5-179.1-71.9-59.8151.300113.1F186 V190 A218 Q219 V222F186-E188 VanDerWaalsContact C-N 3.29Å; F186-E188 VanDerWaalsContact CD1-C 3.49Å; F186-E188 HydrophobicContact CD1-CB 4.26Å; F186-E188 HydrophobicContact CE1-CB 3.52Å; F186-E188 WeakPolarHBondContact CE1-O 3.42Å; F186-E188 HydrophobicContact CE2-CB 4.2Å; F186-E188 HydrophobicContact CZ-CB 3.5Å; F186-E188 PolarHBondContact O-N 2.9Å; E188-V190 PolarHBondContact O-N 3.4Å; E188-A218 WeakPolarHBondContact OE1-CA 3.42Å; E188-Q219 PolarHBondContact OE1-N 3.08Å; E188-V222 WeakPolarHBondContact OE2-CG2 3.24Å
189Q91.8Very high93.3Very high34 Ų3437.5 Ų37.516%0.15921%0.209CC..  trans-68125174.7-170.6165.5-8.700110H155 F186 V187H155-Q189 PolarHBondContact O-NE2 3.45Å; F186-Q189 HydrophobicContact CB-CB 4.39Å; F186-Q189 HydrophobicContact CD1-CB 3.96Å; F186-Q189 VanDerWaalsContact CD1-N 3.27Å; F186-Q189 VanDerWaalsContact O-CB 3.31Å; F186-Q189 WeakPolarHBondContact O-CB 3.37Å; F186-Q189 PolarHBondContact O-N 3.32Å; V187-Q189 VanDerWaalsContact C-N 3.26Å; V187-Q189 PolarHBondContact O-N 3.39Å
190V90.4Very high93.3Very high72 Ų7237.5 Ų37.544%0.43621%0.208SC..  trans-95.9145.6-180-67.80000111.7E188 W195 T196E188-V190 PolarHBondContact O-N 3.4Å; V190-W195 WeakPolarHBondContact CA-O 3.33Å; V190-T196 HydrophobicContact CG1-CG2 3.69Å
191C88.5Confident93.2Very high18 Ų1837.5 Ų37.512%0.12221%0.208CC..  trans-92.4-171.3164.383.40000111.8N161 L166 T193 K194 W195N161-C191 HydrophobicContact CB-CB 4.32Å; N161-C191 WeakPolarHBondContact O-CA 3.38Å; N161-C191 WeakPolarHBondContact O-CB 3.22Å; L166-C191 HydrophobicContact CD2-CB 4.2Å; C191-T193 PolarHBondContact O-N 2.72Å; C191-K194 PolarHBondContact O-N 3.46Å; C191-W195 PolarHBondContact N-O 2.97Å; C191-W195 VanDerWaalsContact SG-CB 3.58Å
192L81.8Confident93.2Very high79 Ų7936.7 Ų36.741%0.41420%0.204SC..THydrogen-bonded Turntrans-53.3-30-174.1-72.1171.8000114.2N161N161-L192 HydrophobicContact CB-CD2 4.4Å; N161-L192 HydrophobicContact CB-CG 4.08Å
193T85.6Confident93.2Very high47 Ų4734.4 Ų34.429%0.28819%0.19SC..THydrogen-bonded Turntrans-97.223.9-179.454.40000113.3C191 W195 G225C191-T193 PolarHBondContact O-N 2.72Å; T193-W195 PolarHBondContact O-N 3.27Å; T193-W195 WeakPolarHBondContact OG1-CB 3.28Å; T193-G225 WeakPolarHBondContact O-CA 3.4Å; T193-G225 PolarHBondContact O-N 3.46Å
194K91.6Very high93.2Very high98 Ų9834.5 Ų34.543%0.42618%0.184SC..SBendtrans55.516.6-170.2-56.8178.1-176.1167.50113.1E29 C191E29-K194 IonicContact OE2-NZ 3.59Å; E29-K194 PolarHBondContact OE2-NZ 2.78Å; C191-K194 PolarHBondContact O-N 3.46Å
195W93.8Very high93.1Very high34 Ų3433.8 Ų33.813%0.12918%0.176CC..  trans-77.2135.1-177.8-169.8-94.9000110.6V190 C191 T193 H199 E200 K203 D224 I233V190-W195 WeakPolarHBondContact CA-O 3.33Å; C191-W195 PolarHBondContact N-O 2.97Å; C191-W195 VanDerWaalsContact SG-CB 3.58Å; T193-W195 PolarHBondContact O-N 3.27Å; T193-W195 WeakPolarHBondContact OG1-CB 3.28Å; W195-H199 HydrophobicContact CD2-CB 3.59Å; W195-H199 VanDerWaalsContact CE2-CB 3.47Å; W195-H199 HydrophobicContact CE3-CB 3.91Å; W195-H199 HydrophobicContact CG-CB 4.14Å; W195-H199 HydrophobicContact CH2-CB 4Å; W195-H199 HydrophobicContact CZ2-CB 3.69Å; W195-H199 HydrophobicContact CZ3-CB 4.1Å; W195-E200 PolarHBondContact NE1-OE2 3.08Å; W195-K203 HydrophobicContact CH2-CD 4.44Å; W195-K203 HydrophobicContact CZ2-CB 4.35Å; W195-K203 HydrophobicContact CZ2-CD 4.04Å; W195-D224 HydrophobicContact CE3-CB 4.02Å; W195-I233 HydrophobicContact CH2-CB 4.44Å; W195-I233 HydrophobicContact CH2-CD1 3.69Å; W195-I233 HydrophobicContact CH2-CG1 3.76Å; W195-I233 HydrophobicContact CH2-CG2 3.79Å; W195-I233 HydrophobicContact CZ2-CG2 4.33Å; W195-I233 HydrophobicContact CZ3-CD1 3.66Å; W195-I233 HydrophobicContact CZ3-CG1 3.92Å
196T94.7Very high93Very high1 Ų134.5 Ų34.51%0.00618%0.18CC..  trans-114.4167.3-177.166.90000111.9V190 T198 H199 E200 V222V190-T196 HydrophobicContact CG1-CG2 3.69Å; T196-T198 PolarHBondContact O-N 3.22Å; T196-T198 PolarHBondContact OG1-N 3.04Å; T196-H199 PolarHBondContact N-ND1 2.99Å; T196-H199 PolarHBondContact O-N 3.45Å; T196-H199 VanDerWaalsContact O-N 3.12Å; T196-H199 PolarHBondContact OG1-ND1 3.02Å; T196-E200 PolarHBondContact O-N 3.37Å; T196-E200 VanDerWaalsContact O-N 3.15Å; T196-V222 HydrophobicContact CG2-CG1 3.95Å
197A95.4Very high93Very high2 Ų230.5 Ų30.52%0.01717%0.166CC..Hα-helixtrans-54.5-33.2171.500000112.5L165 V169 E200 A201 L213L165-A197 HydrophobicContact CD2-CB 4.09Å; L165-A197 HydrophobicContact CG-CB 4.1Å; V169-A197 HydrophobicContact CG2-CB 4.09Å; A197-E200 PolarHBondContact O-N 3.39Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 3.12Å; A197-L213 HydrophobicContact CB-CD1 4.02Å; A197-L213 HydrophobicContact CB-CD2 3.93Å; A197-L213 WeakPolarHBondContact O-CD1 3.21Å
198T96.6Very high93.2Very high1 Ų132.9 Ų32.91%0.00619%0.187CC..Hα-helixtrans-67.9-40.3177.6-46.70000112.1T196 A201 A202 L210 A218 A230T196-T198 PolarHBondContact O-N 3.22Å; T196-T198 PolarHBondContact OG1-N 3.04Å; T198-A201 PolarHBondContact O-N 2.74Å; T198-A202 WeakPolarHBondContact O-CB 3.47Å; T198-A202 PolarHBondContact O-N 3.3Å; T198-L210 HydrophobicContact CG2-CD1 3.74Å; T198-A218 HydrophobicContact CG2-CB 4.5Å; T198-A218 WeakPolarHBondContact OG1-CB 3.38Å; T198-A230 HydrophobicContact CG2-CB 3.84Å
199H96.7Very high93.4Very high1 Ų131.6 Ų31.61%0.00518%0.181CC..Hα-helixtrans-63.2-44.8173.7-67.991.7000111W195 T196 A201 A202 K203 V222 V228 A230W195-H199 HydrophobicContact CD2-CB 3.59Å; W195-H199 VanDerWaalsContact CE2-CB 3.47Å; W195-H199 HydrophobicContact CE3-CB 3.91Å; W195-H199 HydrophobicContact CG-CB 4.14Å; W195-H199 HydrophobicContact CH2-CB 4Å; W195-H199 HydrophobicContact CZ2-CB 3.69Å; W195-H199 HydrophobicContact CZ3-CB 4.1Å; T196-H199 PolarHBondContact N-ND1 2.99Å; T196-H199 PolarHBondContact O-N 3.45Å; T196-H199 VanDerWaalsContact O-N 3.12Å; T196-H199 PolarHBondContact OG1-ND1 3.02Å; H199-A201 PolarHBondContact O-N 3.46Å; H199-A202 PolarHBondContact O-N 3.37Å; H199-K203 WeakPolarHBondContact O-CB 3.2Å; H199-K203 PolarHBondContact O-N 3.22Å; H199-V222 PolarHBondContact NE2-O 3.11Å; H199-V228 PolarHBondContact NE2-O 2.85Å; H199-V228 VanDerWaalsContact NE2-O 3.13Å; H199-A230 PolarHBondContact CD2-N 3.24Å; H199-A230 PolarHBondContact NE2-N 3.31Å
200E96.3Very high93.7Very high13 Ų1330 Ų306%0.06117%0.173CC..Hα-helixtrans-62.7-43176.8-165.672.1-177.900111.7L166 V169 R170 W195 T196 A197 A202 K203 V204L166-E200 HydrophobicContact CD1-CB 3.54Å; L166-E200 HydrophobicContact CD1-CG 3.94Å; V169-E200 HydrophobicContact CB-CG 4.41Å; V169-E200 HydrophobicContact CG1-CB 3.79Å; V169-E200 HydrophobicContact CG1-CG 3.85Å; R170-E200 HydrophobicContact CB-CG 4.16Å; R170-E200 WeakPolarHBondContact CB-OE1 3.33Å; R170-E200 VanDerWaalsContact CG-OE1 3.31Å; R170-E200 WeakPolarHBondContact CG-OE1 3.29Å; R170-E200 IonicContact CZ-OE1 2.73Å; R170-E200 IonicContact NE-OE1 2.75Å; R170-E200 PolarHBondContact NE-OE1 3Å; W195-E200 PolarHBondContact NE1-OE2 3.08Å; T196-E200 PolarHBondContact O-N 3.37Å; T196-E200 VanDerWaalsContact O-N 3.15Å; A197-E200 PolarHBondContact O-N 3.39Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 3.07Å; E200-K203 PolarHBondContact O-N 3.37Å; E200-V204 HydrophobicContact CG-CG2 4.42Å; E200-V204 WeakPolarHBondContact O-CB 3.38Å; E200-V204 VanDerWaalsContact O-CG2 3.27Å; E200-V204 WeakPolarHBondContact O-CG2 3.3Å; E200-V204 PolarHBondContact O-N 3.12Å
201A96.7Very high94Very high0 Ų028.7 Ų28.70%016%0.163CC..Hα-helixtrans-62.7-38.7177.500000112.2V169 A197 T198 H199 G205 C206 I209 L210 L213V169-A201 HydrophobicContact CG1-CB 3.83Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 3.12Å; T198-A201 PolarHBondContact O-N 2.74Å; H199-A201 PolarHBondContact O-N 3.46Å; A201-G205 PolarHBondContact O-N 3.18Å; A201-C206 PolarHBondContact O-N 2.97Å; A201-I209 HydrophobicContact CB-CG2 3.92Å; A201-L210 HydrophobicContact CB-CB 4.27Å; A201-L210 HydrophobicContact CB-CD1 4.14Å; A201-L213 HydrophobicContact CB-CD1 3.79Å
202A97.3Very high94.4Very high0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-66.2-41.1174.700000112.5T198 H199 E200 G205 A230 I233 A234 R239 L246T198-A202 WeakPolarHBondContact O-CB 3.47Å; T198-A202 PolarHBondContact O-N 3.3Å; H199-A202 PolarHBondContact O-N 3.37Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 3.07Å; A202-G205 PolarHBondContact O-N 3.11Å; A202-A230 HydrophobicContact CB-CB 4.03Å; A202-A230 WeakPolarHBondContact CB-O 3.21Å; A202-I233 HydrophobicContact CB-CB 4.49Å; A202-I233 HydrophobicContact CB-CG2 4.45Å; A202-A234 HydrophobicContact CB-CB 4.11Å; A202-R239 VanDerWaalsContact O-CG 3.29Å; A202-R239 WeakPolarHBondContact O-CG 3.32Å; A202-L246 HydrophobicContact CB-CD1 4.35Å
203K96.5Very high95.2Very high83 Ų8325.4 Ų25.436%0.36115%0.145SC..Hα-helixtrans-63.9-49.9175.3173.8169.6-176.5-177.70112.5W195 H199 E200 G205 I233 R239W195-K203 HydrophobicContact CH2-CD 4.44Å; W195-K203 HydrophobicContact CZ2-CB 4.35Å; W195-K203 HydrophobicContact CZ2-CD 4.04Å; H199-K203 WeakPolarHBondContact O-CB 3.2Å; H199-K203 PolarHBondContact O-N 3.22Å; E200-K203 PolarHBondContact O-N 3.37Å; K203-G205 PolarHBondContact O-N 3.15Å; K203-I233 HydrophobicContact CB-CG2 3.62Å; K203-R239 PolarHBondContact O-NE 3.48Å; K203-R239 PolarHBondContact O-NH2 3.41Å
204V94.5Very high95.7Very high36 Ų3624 Ų2422%0.21814%0.135CC..Hα-helixtrans-62.4-35.8177.8169.50000110.3S172 E200 C206S172-V204 WeakPolarHBondContact OG-CG1 3.42Å; E200-V204 HydrophobicContact CG-CG2 4.42Å; E200-V204 WeakPolarHBondContact O-CB 3.38Å; E200-V204 VanDerWaalsContact O-CG2 3.27Å; E200-V204 WeakPolarHBondContact O-CG2 3.3Å; E200-V204 PolarHBondContact O-N 3.12Å; V204-C206 HydrophobicContact CG1-CB 4.11Å
205G92.9Very high95.9Very high27 Ų2728.6 Ų28.628%0.27815%0.15SC..THydrogen-bonded Turntrans75.845.7-177.500000111.6A201 A202 K203 P207A201-G205 PolarHBondContact O-N 3.18Å; A202-G205 PolarHBondContact O-N 3.11Å; K203-G205 PolarHBondContact O-N 3.15Å; G205-P207 VanDerWaalsContact O-CD 3.28Å; G205-P207 WeakPolarHBondContact O-CD 3.29Å
206C93.6Very high96Very high23 Ų2331.1 Ų31.116%0.15516%0.163CC..  trans-104.698175.9-172.50000110.7A201 V204 A208 I209 L210A201-C206 PolarHBondContact O-N 2.97Å; V204-C206 HydrophobicContact CG1-CB 4.11Å; C206-A208 VanDerWaalsContact C-N 3.27Å; C206-A208 PolarHBondContact O-N 2.65Å; C206-I209 HydrophobicContact CB-CB 4.16Å; C206-I209 HydrophobicContact CB-CD1 4.09Å; C206-I209 HydrophobicContact CB-CG1 4.29Å; C206-I209 PolarHBondContact O-N 3.33Å; C206-L210 WeakPolarHBondContact O-CB 3.34Å; C206-L210 PolarHBondContact O-N 2.98Å
207P94Very high96Very high36 Ų3633.4 Ų33.423%0.23419%0.187CC..Hα-helixtrans-55.5-39.7-178.3-26.432.8000113.5G205 L210 M211 E241 I245G205-P207 VanDerWaalsContact O-CD 3.28Å; G205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-L210 PolarHBondContact O-N 3.48Å; P207-M211 VanDerWaalsContact O-CB 3.31Å; P207-M211 WeakPolarHBondContact O-CB 3.34Å; P207-M211 VanDerWaalsContact O-CG 3.27Å; P207-M211 WeakPolarHBondContact O-CG 3.32Å; P207-M211 PolarHBondContact O-N 3.33Å; P207-E241 HydrophobicContact CG-CB 3.93Å; P207-E241 WeakPolarHBondContact CG-OE2 3.33Å; P207-I245 HydrophobicContact CB-CD1 3.54Å; P207-I245 HydrophobicContact CG-CD1 4.5Å
208A96.3Very high96Very high58 Ų5833.9 Ų33.948%0.47919%0.19SC..Hα-helixtrans-65.5-45.1-177.100000112.1C206 L212C206-A208 VanDerWaalsContact C-N 3.27Å; C206-A208 PolarHBondContact O-N 2.65Å; A208-L212 WeakPolarHBondContact O-CB 3.31Å; A208-L212 PolarHBondContact O-N 3.19Å
209I97.3Very high95.9Very high0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-67-44.2176.3-68175.2000110.2V169 V177 A201 C206 M211 L212 L213V169-I209 HydrophobicContact CB-CG2 4.37Å; V169-I209 HydrophobicContact CG1-CG2 3.98Å; V169-I209 HydrophobicContact CG2-CG2 3.76Å; V177-I209 HydrophobicContact CG1-CG2 4.25Å; V177-I209 HydrophobicContact CG2-CD1 4.22Å; V177-I209 HydrophobicContact CG2-CG1 4.41Å; V177-I209 HydrophobicContact CG2-CG2 4.27Å; A201-I209 HydrophobicContact CB-CG2 3.92Å; C206-I209 HydrophobicContact CB-CB 4.16Å; C206-I209 HydrophobicContact CB-CD1 4.09Å; C206-I209 HydrophobicContact CB-CG1 4.29Å; C206-I209 PolarHBondContact O-N 3.33Å; I209-M211 PolarHBondContact O-N 3.45Å; I209-L212 WeakPolarHBondContact O-CB 3.46Å; I209-L212 PolarHBondContact O-N 2.87Å; I209-L212 VanDerWaalsContact O-N 3.14Å; I209-L213 HydrophobicContact CG2-CD1 3.88Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.5Å; I209-L213 PolarHBondContact O-N 2.91Å
210L97.1Very high95.8Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-60-47.2179.1-173.660000111.6T198 A201 C206 P207 L212 L213 L214 A242 I245 L246T198-L210 HydrophobicContact CG2-CD1 3.74Å; A201-L210 HydrophobicContact CB-CB 4.27Å; A201-L210 HydrophobicContact CB-CD1 4.14Å; C206-L210 WeakPolarHBondContact O-CB 3.34Å; C206-L210 PolarHBondContact O-N 2.98Å; P207-L210 PolarHBondContact O-N 3.48Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.3Å; L210-L214 HydrophobicContact CG-CD1 4.18Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.33Å; L210-A242 HydrophobicContact CD2-CB 3.76Å; L210-I245 HydrophobicContact CD2-CB 4.21Å; L210-I245 HydrophobicContact CD2-CG2 3.98Å; L210-I245 HydrophobicContact CG-CG2 4.12Å; L210-L246 HydrophobicContact CD1-CD2 4.19Å; L210-L246 HydrophobicContact CD2-CD1 4.36Å; L210-L246 HydrophobicContact CD2-CD2 4.39Å; L210-L246 HydrophobicContact CD2-CG 4.05Å
211M97.3Very high95.8Very high46 Ų4643.5 Ų43.523%0.22724%0.242CC..Hα-helixtrans-60.3-39.3173.9-77.5-61.4-58.700112.6P207 I209 R215 I245 H249P207-M211 VanDerWaalsContact O-CB 3.31Å; P207-M211 WeakPolarHBondContact O-CB 3.34Å; P207-M211 VanDerWaalsContact O-CG 3.27Å; P207-M211 WeakPolarHBondContact O-CG 3.32Å; P207-M211 PolarHBondContact O-N 3.33Å; I209-M211 PolarHBondContact O-N 3.45Å; M211-R215 WeakPolarHBondContact O-CB 3.5Å; M211-R215 VanDerWaalsContact O-CG 3.26Å; M211-R215 WeakPolarHBondContact O-CG 3.28Å; M211-R215 PolarHBondContact O-N 2.86Å; M211-I245 HydrophobicContact CG-CD1 3.91Å; M211-I245 HydrophobicContact CG-CG1 4.41Å; M211-I245 HydrophobicContact CG-CG2 4.26Å; M211-I245 HydrophobicContact SD-CD1 4.31Å; M211-I245 HydrophobicContact SD-CG1 4.15Å; M211-I245 HydrophobicContact SD-CG2 3.58Å; M211-I245 VanDerWaalsContact SD-CG2 3.58Å; M211-H249 PolarHBondContact SD-CE1 3.33Å
212L96.9Very high95.7Very high28 Ų2845 Ų4515%0.14725%0.252CS..Hα-helixtrans-63.8-48.4177.2-177.865.8000110.8V177 H178 I181 A208 I209 L210 L214 R215 H216V177-L212 HydrophobicContact CB-CD2 4.34Å; V177-L212 HydrophobicContact CG1-CD2 3.74Å; H178-L212 HydrophobicContact CB-CD2 3.9Å; I181-L212 HydrophobicContact CD1-CD2 4.09Å; I181-L212 HydrophobicContact CD1-CG 3.92Å; A208-L212 WeakPolarHBondContact O-CB 3.31Å; A208-L212 PolarHBondContact O-N 3.19Å; I209-L212 WeakPolarHBondContact O-CB 3.46Å; I209-L212 PolarHBondContact O-N 2.87Å; I209-L212 VanDerWaalsContact O-N 3.14Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 PolarHBondContact O-N 2.92Å; L212-L214 PolarHBondContact O-N 3.03Å; L212-R215 PolarHBondContact O-N 3.49Å; L212-H216 PolarHBondContact O-CD2 3.4Å; L212-H216 PolarHBondContact O-N 3.13Å
213L97.4Very high95.7Very high0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-58.7-46.5177.2-65167.9000111.2L165 V169 V177 I181 V187 A197 A201 I209 L210 R215 H216 G217 A218L165-L213 HydrophobicContact CD1-CD2 4.43Å; L165-L213 HydrophobicContact CD2-CD2 4.23Å; V169-L213 HydrophobicContact CG2-CD1 4.28Å; V177-L213 HydrophobicContact CG1-CD2 4.38Å; I181-L213 HydrophobicContact CD1-CD2 4.03Å; V187-L213 HydrophobicContact CG1-CB 4.09Å; V187-L213 HydrophobicContact CG1-CD2 3.86Å; A197-L213 HydrophobicContact CB-CD1 4.02Å; A197-L213 HydrophobicContact CB-CD2 3.93Å; A197-L213 WeakPolarHBondContact O-CD1 3.21Å; A201-L213 HydrophobicContact CB-CD1 3.79Å; I209-L213 HydrophobicContact CG2-CD1 3.88Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.5Å; I209-L213 PolarHBondContact O-N 2.91Å; L210-L213 PolarHBondContact O-N 3.3Å; L213-R215 PolarHBondContact O-N 3.45Å; L213-H216 CarbonylContact O-C 3.55Å; L213-H216 PolarHBondContact O-N 3.07Å; L213-H216 VanDerWaalsContact O-N 3.12Å; L213-G217 PolarHBondContact O-N 2.89Å; L213-A218 VanDerWaalsContact C-CB 3.46Å; L213-A218 HydrophobicContact CB-CB 4Å; L213-A218 VanDerWaalsContact O-CB 3.26Å; L213-A218 WeakPolarHBondContact O-CB 3.32Å; L213-A218 PolarHBondContact O-N 3.36Å
214L96.7Very high95.6Very high18 Ų1847.3 Ų47.39%0.09426%0.259CS..Hα-helixtrans-61.9-42.3178.6-67.8169.6000112.7L210 L212 H216 G217 A218 V220 I245 H249L210-L214 HydrophobicContact CG-CD1 4.18Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.33Å; L212-L214 PolarHBondContact O-N 3.03Å; L214-H216 PolarHBondContact O-N 3.47Å; L214-G217 PolarHBondContact O-N 3.42Å; L214-A218 HydrophobicContact CD2-CB 4.13Å; L214-V220 HydrophobicContact CD2-CG1 3.51Å; L214-I245 HydrophobicContact CD1-CG2 3.58Å; L214-H249 HydrophobicContact CD1-CB 4.24Å
215R96.1Very high95.5Very high194 Ų19446 Ų4673%0.73225%0.253SS*.Hα-helixtrans-63.1-26.3175.6-76.4176.3179.7-177.62.6113.3M211 L212 L213M211-R215 WeakPolarHBondContact O-CB 3.5Å; M211-R215 VanDerWaalsContact O-CG 3.26Å; M211-R215 WeakPolarHBondContact O-CG 3.28Å; M211-R215 PolarHBondContact O-N 2.86Å; L212-R215 PolarHBondContact O-N 3.49Å; L213-R215 PolarHBondContact O-N 3.45Å
216H96.1Very high95.6Very high86 Ų8648.1 Ų48.140%0.39826%0.256SS..THydrogen-bonded Turntrans-100.121.4179.3-72.8-81.9000113.3I181 V187 L212 L213 L214I181-H216 HydrophobicContact CG2-CB 3.86Å; I181-H216 VanDerWaalsContact CG2-CG 3.49Å; V187-H216 HydrophobicContact CG2-CB 4.06Å; L212-H216 PolarHBondContact O-CD2 3.4Å; L212-H216 PolarHBondContact O-N 3.13Å; L213-H216 CarbonylContact O-C 3.55Å; L213-H216 PolarHBondContact O-N 3.07Å; L213-H216 VanDerWaalsContact O-N 3.12Å; L214-H216 PolarHBondContact O-N 3.47Å
217G93.4Very high95.7Very high49 Ų4947.3 Ų47.351%0.50525%0.251SS..THydrogen-bonded Turntrans96.21316800000115.3L213 L214L213-G217 PolarHBondContact O-N 2.89Å; L214-G217 PolarHBondContact O-N 3.42Å
218A95.9Very high95.8Very high12 Ų1246.5 Ų46.510%0.09925%0.245CC..  trans-60.3139168.400000111.2V187 E188 T198 L213 L214V187-A218 HydrophobicContact CG1-CB 3.55Å; E188-A218 WeakPolarHBondContact OE1-CA 3.42Å; T198-A218 HydrophobicContact CG2-CB 4.5Å; T198-A218 WeakPolarHBondContact OG1-CB 3.38Å; L213-A218 VanDerWaalsContact C-CB 3.46Å; L213-A218 HydrophobicContact CB-CB 4Å; L213-A218 VanDerWaalsContact O-CB 3.26Å; L213-A218 WeakPolarHBondContact O-CB 3.32Å; L213-A218 PolarHBondContact O-N 3.36Å; L214-A218 HydrophobicContact CD2-CB 4.13Å
219Q95.2Very high95.9Very high114 Ų11444.3 Ų44.353%0.53323%0.226SC..  trans-100.9127.9177.6-69.7-175.945.200110.7E188 T221 V222E188-Q219 PolarHBondContact OE1-N 3.08Å; Q219-T221 PolarHBondContact O-N 2.94Å; Q219-V222 HydrophobicContact CB-CG2 3.65Å
220V95.4Very high95.9Very high16 Ų1644.4 Ų44.410%0.09723%0.227CC..THydrogen-bonded Turntrans-70.7-15.8178.3-62.30000113.7L214 L246 H249L214-V220 HydrophobicContact CD2-CG1 3.51Å; V220-L246 HydrophobicContact CB-CD2 4.37Å; V220-L246 HydrophobicContact CG1-CD2 3.84Å; V220-H249 HydrophobicContact CG1-CB 3.95Å
221T95Very high95.9Very high87 Ų8744.5 Ų44.553%0.53423%0.227SC..THydrogen-bonded Turntrans-92.1-5.1-175.153.40000113.9Q219Q219-T221 PolarHBondContact O-N 2.94Å
222V95.5Very high95.9Very high32 Ų3242.3 Ų42.319%0.19422%0.217CC..  trans-66.5140.1-178178.50000109.2E188 T196 H199 Q219 T229E188-V222 WeakPolarHBondContact OE2-CG2 3.24Å; T196-V222 HydrophobicContact CG2-CG1 3.95Å; H199-V222 PolarHBondContact NE2-O 3.11Å; Q219-V222 HydrophobicContact CB-CG2 3.65Å; V222-T229 WeakPolarHBondContact O-CA 3.44Å
223R95.7Very high96Very high120 Ų12041.2 Ų41.245%0.45321%0.211SC..BIsolated β-bridgetrans-115.7138.5-176.8-67.1176.7176.4-128.5-0.5110.2G227 V228 T229 R256R223-G227 PolarHBondContact NH1-O 3.13Å; R223-V228 CarbonylContact C-O 3.43Å; R223-V228 WeakPolarHBondContact CA-O 3.49Å; R223-T229 HydrophobicContact CG-CG2 3.93Å; R223-R256 PolarHBondContact NH1-O 3.25Å; R223-R256 PolarHBondContact NH2-O 3.47Å
224D94.8Very high96Very high11 Ų1141.2 Ų41.26%0.05921%0.211CC..  trans-73.3-175.1170.578.8-5000112.1W195 H226 G227 V228W195-D224 HydrophobicContact CE3-CB 4.02Å; D224-H226 PolarHBondContact O-N 2.97Å; D224-H226 VanDerWaalsContact O-N 3.17Å; D224-H226 WeakPolarHBondContact OD1-CA 3.49Å; D224-H226 WeakPolarHBondContact OD1-CB 3.42Å; D224-H226 PolarHBondContact OD1-N 3.44Å; D224-H226 IonicContact OD2-CD2 3.66Å; D224-G227 PolarHBondContact O-N 2.91Å; D224-G227 PolarHBondContact OD1-N 3.06Å; D224-G227 VanDerWaalsContact OD1-N 3.07Å; D224-V228 PolarHBondContact N-O 3.49Å; D224-V228 WeakPolarHBondContact OD1-CB 3.48Å; D224-V228 PolarHBondContact OD1-N 2.76Å
225G93.9Very high96.1Very high10 Ų1040.4 Ų40.410%0.10321%0.207CC..THydrogen-bonded Turntrans-63.7-16.7179.800000114.1T193T193-G225 WeakPolarHBondContact O-CA 3.4Å; T193-G225 PolarHBondContact O-N 3.46Å
226H93.9Very high96.2Very high71 Ų7135.3 Ų35.333%0.32919%0.191SC..THydrogen-bonded Turntrans-99.16.2174.7-58.9-56.7000112.6D224 V228 S258D224-H226 PolarHBondContact O-N 2.97Å; D224-H226 VanDerWaalsContact O-N 3.17Å; D224-H226 WeakPolarHBondContact OD1-CA 3.49Å; D224-H226 WeakPolarHBondContact OD1-CB 3.42Å; D224-H226 PolarHBondContact OD1-N 3.44Å; D224-H226 IonicContact OD2-CD2 3.66Å; H226-V228 HydrophobicContact CB-CG2 3.94Å; H226-V228 PolarHBondContact O-N 3.4Å; H226-S258 VanDerWaalsContact O-CB 3.3Å; H226-S258 WeakPolarHBondContact O-CB 3.38Å; H226-S258 PolarHBondContact O-N 3.28Å; H226-S258 PolarHBondContact O-OG 3.22Å; H226-S258 VanDerWaalsContact O-OG 3.11Å
227G95.7Very high96.3Very high6 Ų634.6 Ų34.66%0.06219%0.188CC..SBendtrans76.38.8-178.300000113.7R223 D224 S258R223-G227 PolarHBondContact NH1-O 3.13Å; D224-G227 PolarHBondContact O-N 2.91Å; D224-G227 PolarHBondContact OD1-N 3.06Å; D224-G227 VanDerWaalsContact OD1-N 3.07Å; G227-S258 WeakPolarHBondContact CA-OG 3.41Å; G227-S258 PolarHBondContact N-OG 3Å
228V97Very high96.5Very high18 Ų1833 Ų3311%0.10917%0.171CC..  trans-85.7135.9-176.8-171.20000108.9H199 R223 D224 H226 I233 A257H199-V228 PolarHBondContact NE2-O 2.85Å; H199-V228 VanDerWaalsContact NE2-O 3.13Å; R223-V228 CarbonylContact C-O 3.43Å; R223-V228 WeakPolarHBondContact CA-O 3.49Å; D224-V228 PolarHBondContact N-O 3.49Å; D224-V228 WeakPolarHBondContact OD1-CB 3.48Å; D224-V228 PolarHBondContact OD1-N 2.76Å; H226-V228 HydrophobicContact CB-CG2 3.94Å; H226-V228 PolarHBondContact O-N 3.4Å; V228-I233 HydrophobicContact CB-CD1 4.21Å; V228-I233 HydrophobicContact CG1-CD1 3.63Å; V228-I233 HydrophobicContact CG1-CG1 4Å; V228-A257 HydrophobicContact CG2-CB 3.73Å
229T97.6Very high96.6Very high12 Ų1237.3 Ų37.37%0.07419%0.185CC..BIsolated β-bridgetrans-87.5164.7174.662.50000110.8V222 R223 M231 G232 I233 A255V222-T229 WeakPolarHBondContact O-CA 3.44Å; R223-T229 HydrophobicContact CG-CG2 3.93Å; T229-M231 PolarHBondContact O-N 3.27Å; T229-M231 PolarHBondContact OG1-N 3.02Å; T229-G232 PolarHBondContact O-N 3.41Å; T229-G232 PolarHBondContact OG1-N 2.92Å; T229-I233 PolarHBondContact O-N 3.26Å; T229-I233 VanDerWaalsContact O-N 3.09Å; T229-A255 HydrophobicContact CG2-CB 4.32Å
230A97.3Very high96.7Very high2 Ų233.7 Ų33.72%0.01717%0.171CC..Hα-helixtrans-52.5-28.917100000112.6T198 H199 A202 I233 A234 L246T198-A230 HydrophobicContact CG2-CB 3.84Å; H199-A230 PolarHBondContact CD2-N 3.24Å; H199-A230 PolarHBondContact NE2-N 3.31Å; A202-A230 HydrophobicContact CB-CB 4.03Å; A202-A230 WeakPolarHBondContact CB-O 3.21Å; A230-I233 PolarHBondContact O-N 3.36Å; A230-A234 PolarHBondContact O-N 3.49Å; A230-L246 HydrophobicContact CB-CD1 4.21Å; A230-L246 HydrophobicContact CB-CD2 4.31Å
231M97.8Very high96.8Very high2 Ų239.1 Ų39.11%0.0120%0.195CC..Hα-helixtrans-66.9-45.5174.6-170.7179.2-78.800112.6T229 I233 A234 A235 L243 L246 I247 V253 V263T229-M231 PolarHBondContact O-N 3.27Å; T229-M231 PolarHBondContact OG1-N 3.02Å; M231-I233 VanDerWaalsContact C-N 3.31Å; M231-I233 PolarHBondContact O-N 3.29Å; M231-A234 PolarHBondContact O-N 3.13Å; M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 3.25Å; M231-L243 HydrophobicContact CG-CD1 3.34Å; M231-L243 HydrophobicContact SD-CD1 4.23Å; M231-L246 HydrophobicContact CB-CD1 4.26Å; M231-L246 HydrophobicContact CE-CB 3.85Å; M231-I247 HydrophobicContact CE-CB 4.3Å; M231-I247 HydrophobicContact CE-CG1 3.5Å; M231-I247 HydrophobicContact SD-CG1 4.33Å; M231-V253 HydrophobicContact SD-CG1 4.11Å; M231-V263 HydrophobicContact CG-CG1 3.8Å; M231-V263 HydrophobicContact CG-CG2 4.33Å; M231-V263 HydrophobicContact SD-CG1 4.2Å; M231-V263 HydrophobicContact SD-CG2 4.34Å
232G97.6Very high96.9Very high1 Ų135 Ų351%0.0117%0.17CC..Hα-helixtrans-59.2-43173.500000111.6T229 A234 A235 E236T229-G232 PolarHBondContact O-N 3.41Å; T229-G232 PolarHBondContact OG1-N 2.92Å; G232-A234 PolarHBondContact O-N 2.81Å; G232-A235 WeakPolarHBondContact O-CB 3.43Å; G232-A235 PolarHBondContact O-N 3.42Å; G232-A235 VanDerWaalsContact O-N 3.16Å; G232-E236 WeakPolarHBondContact O-CB 3.48Å; G232-E236 PolarHBondContact O-N 3.32Å
233I98Very high97Very high5 Ų533.5 Ų33.53%0.02616%0.161CC..Hα-helixtrans-62.8-43.5176.2-59-53.7000112.2W195 A202 K203 V228 T229 A230 M231 A235 E236 H237W195-I233 HydrophobicContact CH2-CB 4.44Å; W195-I233 HydrophobicContact CH2-CD1 3.69Å; W195-I233 HydrophobicContact CH2-CG1 3.76Å; W195-I233 HydrophobicContact CH2-CG2 3.79Å; W195-I233 HydrophobicContact CZ2-CG2 4.33Å; W195-I233 HydrophobicContact CZ3-CD1 3.66Å; W195-I233 HydrophobicContact CZ3-CG1 3.92Å; A202-I233 HydrophobicContact CB-CB 4.49Å; A202-I233 HydrophobicContact CB-CG2 4.45Å; K203-I233 HydrophobicContact CB-CG2 3.62Å; V228-I233 HydrophobicContact CB-CD1 4.21Å; V228-I233 HydrophobicContact CG1-CD1 3.63Å; V228-I233 HydrophobicContact CG1-CG1 4Å; T229-I233 PolarHBondContact O-N 3.26Å; T229-I233 VanDerWaalsContact O-N 3.09Å; A230-I233 PolarHBondContact O-N 3.36Å; M231-I233 VanDerWaalsContact C-N 3.31Å; M231-I233 PolarHBondContact O-N 3.29Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 3.14Å; I233-E236 PolarHBondContact O-N 3.11Å; I233-H237 PolarHBondContact O-CD2 3.2Å; I233-H237 PolarHBondContact O-N 3.36Å; I233-H237 VanDerWaalsContact O-N 3.08Å
234A98.3Very high97.2Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-61.2-40174.500000111.7A202 A230 M231 G232 G238 R239 A242 L243 L246A202-A234 HydrophobicContact CB-CB 4.11Å; A230-A234 PolarHBondContact O-N 3.49Å; M231-A234 PolarHBondContact O-N 3.13Å; G232-A234 PolarHBondContact O-N 2.81Å; A234-G238 PolarHBondContact O-N 3.32Å; A234-R239 HydrophobicContact CB-CB 4.29Å; A234-R239 PolarHBondContact O-N 2.97Å; A234-A242 HydrophobicContact CB-CB 4.2Å; A234-L243 HydrophobicContact CB-CB 4.28Å; A234-L243 HydrophobicContact CB-CD1 4.5Å; A234-L246 HydrophobicContact CB-CD1 4.17Å
235A98.3Very high97.3Very high0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-65.8-47.9177.500000112.4M231 G232 I233 H237 G238 V263 D266 A267 S270 L279M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 3.25Å; G232-A235 WeakPolarHBondContact O-CB 3.43Å; G232-A235 PolarHBondContact O-N 3.42Å; G232-A235 VanDerWaalsContact O-N 3.16Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 3.14Å; A235-H237 VanDerWaalsContact C-N 3.27Å; A235-H237 PolarHBondContact O-N 2.95Å; A235-G238 PolarHBondContact O-N 3.39Å; A235-G238 VanDerWaalsContact O-N 3.08Å; A235-V263 HydrophobicContact CB-CG1 3.65Å; A235-V263 WeakPolarHBondContact CB-O 3.43Å; A235-D266 HydrophobicContact CB-CB 4.27Å; A235-A267 HydrophobicContact CB-CB 3.91Å; A235-A267 WeakPolarHBondContact O-CA 3.26Å; A235-S270 VanDerWaalsContact O-CB 3.3Å; A235-S270 WeakPolarHBondContact O-CB 3.28Å; A235-S270 PolarHBondContact O-OG 2.88Å; A235-L279 HydrophobicContact CB-CD1 4.49Å
236E97.8Very high97.5Very high87 Ų8731.9 Ų31.941%0.40716%0.156SC..Hα-helixtrans-57.6-38.4176.6-173.5-176.6177.500112G232 I233 D266 S270G232-E236 WeakPolarHBondContact O-CB 3.48Å; G232-E236 PolarHBondContact O-N 3.32Å; I233-E236 PolarHBondContact O-N 3.11Å; E236-D266 HydrophobicContact CB-CB 4.19Å; E236-S270 WeakPolarHBondContact O-CB 3.41Å
237H97.7Very high97.7Very high72 Ų7229.5 Ų29.533%0.33315%0.145SC..THydrogen-bonded Turntrans-92.55.2178.7-73.3-71000114.3I233 A235 R239I233-H237 PolarHBondContact O-CD2 3.2Å; I233-H237 PolarHBondContact O-N 3.36Å; I233-H237 VanDerWaalsContact O-N 3.08Å; A235-H237 VanDerWaalsContact C-N 3.27Å; A235-H237 PolarHBondContact O-N 2.95Å; H237-R239 VanDerWaalsContact C-N 3.34Å; H237-R239 HydrophobicContact CB-CG 3.96Å; H237-R239 WeakPolarHBondContact O-CD 3.45Å; H237-R239 PolarHBondContact O-N 3.1Å
238G97.4Very high97.8Very high14 Ų1435.3 Ų35.314%0.14417%0.171CC..THydrogen-bonded Turntrans61.537.9177.600000113.7A234 A235 T240 N272A234-G238 PolarHBondContact O-N 3.32Å; A235-G238 PolarHBondContact O-N 3.39Å; A235-G238 VanDerWaalsContact O-N 3.08Å; G238-T240 PolarHBondContact O-N 2.98Å; G238-N272 PolarHBondContact O-ND2 2.87Å
239R98Very high97.8Very high104 Ų10438.2 Ų38.239%0.39218%0.183SC..  trans-94.478.9-178.7-54.1-51.4-167.1-174.50.3111.2A202 K203 A234 H237 E241 A242 L243A202-R239 VanDerWaalsContact O-CG 3.29Å; A202-R239 WeakPolarHBondContact O-CG 3.32Å; K203-R239 PolarHBondContact O-NE 3.48Å; K203-R239 PolarHBondContact O-NH2 3.41Å; A234-R239 HydrophobicContact CB-CB 4.29Å; A234-R239 PolarHBondContact O-N 2.97Å; H237-R239 VanDerWaalsContact C-N 3.34Å; H237-R239 HydrophobicContact CB-CG 3.96Å; H237-R239 WeakPolarHBondContact O-CD 3.45Å; H237-R239 PolarHBondContact O-N 3.1Å; R239-E241 PolarHBondContact O-N 2.87Å; R239-A242 HydrophobicContact CB-CB 3.9Å; R239-A242 PolarHBondContact O-N 3.4Å; R239-L243 WeakPolarHBondContact O-CB 3.26Å; R239-L243 PolarHBondContact O-N 2.92Å
240T97.8Very high97.7Very high38 Ų3840.5 Ų40.523%0.23321%0.208CC..Hα-helixtrans-55.3-45.6-173.9-43.10000113.7G238 L243 E244 N272 D274 L278G238-T240 PolarHBondContact O-N 2.98Å; T240-L243 WeakPolarHBondContact O-CB 3.34Å; T240-L243 PolarHBondContact O-N 3.44Å; T240-E244 PolarHBondContact O-N 3.19Å; T240-N272 PolarHBondContact OG1-ND2 3.08Å; T240-N272 PolarHBondContact OG1-OD1 2.93Å; T240-D274 HydrophobicContact CG2-CB 3.73Å; T240-L278 HydrophobicContact CG2-CD2 4.31Å
241E97.9Very high97.7Very high129 Ų12941 Ų4160%0.60321%0.213SC*.Hα-helixtrans-67.5-39.6-179.1-64.7-179-170.500112.5P207 R239 L243 E244 I245P207-E241 HydrophobicContact CG-CB 3.93Å; P207-E241 WeakPolarHBondContact CG-OE2 3.33Å; R239-E241 PolarHBondContact O-N 2.87Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-E244 PolarHBondContact O-N 3.1Å; E241-I245 WeakPolarHBondContact O-CG1 3.34Å; E241-I245 PolarHBondContact O-N 2.81Å
242A97.8Very high97.7Very high1 Ų145.4 Ų45.41%0.00824%0.237CC..Hα-helixtrans-65-40.7174.900000110.8L210 A234 R239 I245 L246L210-A242 HydrophobicContact CD2-CB 3.76Å; A234-A242 HydrophobicContact CB-CB 4.2Å; R239-A242 HydrophobicContact CB-CB 3.9Å; R239-A242 PolarHBondContact O-N 3.4Å; A242-I245 PolarHBondContact O-N 3.37Å; A242-L246 WeakPolarHBondContact O-CD1 3.31Å; A242-L246 VanDerWaalsContact O-CG 3.26Å; A242-L246 WeakPolarHBondContact O-CG 3.4Å; A242-L246 PolarHBondContact O-N 3.44Å
243L97.8Very high97.7Very high0 Ų045.9 Ų45.90%024%0.24CC..Hα-helixtrans-61.4-46176.1-173.157.5000111.5M231 A234 R239 T240 E241 I245 L246 I247 V263 C275 L278 L279M231-L243 HydrophobicContact CG-CD1 3.34Å; M231-L243 HydrophobicContact SD-CD1 4.23Å; A234-L243 HydrophobicContact CB-CB 4.28Å; A234-L243 HydrophobicContact CB-CD1 4.5Å; R239-L243 WeakPolarHBondContact O-CB 3.26Å; R239-L243 PolarHBondContact O-N 2.92Å; T240-L243 WeakPolarHBondContact O-CB 3.34Å; T240-L243 PolarHBondContact O-N 3.44Å; E241-L243 VanDerWaalsContact C-N 3.31Å; L243-I245 PolarHBondContact O-N 3.42Å; L243-L246 PolarHBondContact O-N 2.9Å; L243-I247 HydrophobicContact CG-CD1 4.28Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.42Å; L243-I247 PolarHBondContact O-N 3.38Å; L243-V263 HydrophobicContact CD1-CG1 4.46Å; L243-C275 HydrophobicContact CD2-CB 3.75Å; L243-L278 HydrophobicContact CB-CD2 4.35Å; L243-L278 HydrophobicContact CD2-CD2 4.34Å; L243-L278 HydrophobicContact CG-CD2 4.14Å; L243-L279 HydrophobicContact CD1-CD2 4.21Å; L243-L279 HydrophobicContact CD2-CD1 4.1Å; L243-L279 HydrophobicContact CD2-CD2 4.27Å; L243-L279 HydrophobicContact CD2-CG 3.94Å
244E98.1Very high97.8Very high89 Ų8948.6 Ų48.642%0.41625%0.254SS..Hα-helixtrans-59.1-46.4176.2-172179.3-172.100112T240 E241 L246 I247 Q248 L278T240-E244 PolarHBondContact O-N 3.19Å; E241-E244 PolarHBondContact O-N 3.1Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.42Å; E244-I247 PolarHBondContact O-N 3.24Å; E244-Q248 VanDerWaalsContact O-CG 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.42Å; E244-Q248 PolarHBondContact O-N 3.08Å; E244-Q248 PolarHBondContact OE1-NE2 3.24Å; E244-L278 HydrophobicContact CB-CD2 3.88Å
245I98.2Very high97.7Very high19 Ų1949 Ų4910%0.09726%0.258CS..Hα-helixtrans-58.4-45.7176.4-74.1163.9000111.2P207 L210 M211 L214 E241 A242 L243 I247 Q248 H249P207-I245 HydrophobicContact CB-CD1 3.54Å; P207-I245 HydrophobicContact CG-CD1 4.5Å; L210-I245 HydrophobicContact CD2-CB 4.21Å; L210-I245 HydrophobicContact CD2-CG2 3.98Å; L210-I245 HydrophobicContact CG-CG2 4.12Å; M211-I245 HydrophobicContact CG-CD1 3.91Å; M211-I245 HydrophobicContact CG-CG1 4.41Å; M211-I245 HydrophobicContact CG-CG2 4.26Å; M211-I245 HydrophobicContact SD-CD1 4.31Å; M211-I245 HydrophobicContact SD-CG1 4.15Å; M211-I245 HydrophobicContact SD-CG2 3.58Å; M211-I245 VanDerWaalsContact SD-CG2 3.58Å; L214-I245 HydrophobicContact CD1-CG2 3.58Å; E241-I245 WeakPolarHBondContact O-CG1 3.34Å; E241-I245 PolarHBondContact O-N 2.81Å; A242-I245 PolarHBondContact O-N 3.37Å; L243-I245 PolarHBondContact O-N 3.42Å; I245-I247 VanDerWaalsContact C-N 3.34Å; I245-I247 PolarHBondContact O-N 3.3Å; I245-Q248 PolarHBondContact O-N 2.7Å; I245-H249 PolarHBondContact O-N 2.79Å; I245-H249 VanDerWaalsContact O-N 3.07Å; I245-H249 PolarHBondContact O-ND1 2.96Å
246L98.2Very high97.7Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-64.8-38.5-179.3-70.2165.6000111.9A202 L210 V220 A230 M231 A234 A242 L243 E244 H249 G250 G251A202-L246 HydrophobicContact CB-CD1 4.35Å; L210-L246 HydrophobicContact CD1-CD2 4.19Å; L210-L246 HydrophobicContact CD2-CD1 4.36Å; L210-L246 HydrophobicContact CD2-CD2 4.39Å; L210-L246 HydrophobicContact CD2-CG 4.05Å; V220-L246 HydrophobicContact CB-CD2 4.37Å; V220-L246 HydrophobicContact CG1-CD2 3.84Å; A230-L246 HydrophobicContact CB-CD1 4.21Å; A230-L246 HydrophobicContact CB-CD2 4.31Å; M231-L246 HydrophobicContact CB-CD1 4.26Å; M231-L246 HydrophobicContact CE-CB 3.85Å; A234-L246 HydrophobicContact CB-CD1 4.17Å; A242-L246 WeakPolarHBondContact O-CD1 3.31Å; A242-L246 VanDerWaalsContact O-CG 3.26Å; A242-L246 WeakPolarHBondContact O-CG 3.4Å; A242-L246 PolarHBondContact O-N 3.44Å; L243-L246 PolarHBondContact O-N 2.9Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.42Å; L246-H249 PolarHBondContact O-N 2.78Å; L246-G250 PolarHBondContact O-N 2.96Å; L246-G251 PolarHBondContact O-N 3.28Å
247I97.9Very high97.7Very high20 Ų2048.2 Ų48.210%0.10325%0.254CS..Hα-helixtrans-63.1-47.3173.8-67.2170.2000110.3M231 L243 E244 I245 H249 G250 V253 L278 L279 H282M231-I247 HydrophobicContact CE-CB 4.3Å; M231-I247 HydrophobicContact CE-CG1 3.5Å; M231-I247 HydrophobicContact SD-CG1 4.33Å; L243-I247 HydrophobicContact CG-CD1 4.28Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.42Å; L243-I247 PolarHBondContact O-N 3.38Å; E244-I247 PolarHBondContact O-N 3.24Å; I245-I247 VanDerWaalsContact C-N 3.34Å; I245-I247 PolarHBondContact O-N 3.3Å; I247-H249 PolarHBondContact O-N 2.96Å; I247-G250 PolarHBondContact O-N 3.11Å; I247-V253 HydrophobicContact CD1-CG1 3.95Å; I247-V253 HydrophobicContact CG1-CG1 3.84Å; I247-L278 HydrophobicContact CD1-CD2 4.04Å; I247-L278 HydrophobicContact CD1-CG 3.92Å; I247-L279 HydrophobicContact CD1-CD2 4.46Å; I247-H282 HydrophobicContact CD1-CB 4.45Å; I247-H282 HydrophobicContact CG2-CB 4.31Å
248Q97.4Very high97.6Very high129 Ų12948.3 Ų48.360%0.60326%0.262SS*.Hα-helixtrans-61.6-26.9179.5-71.2175.3600113.1E244 I245 G250E244-Q248 VanDerWaalsContact O-CG 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.42Å; E244-Q248 PolarHBondContact O-N 3.08Å; E244-Q248 PolarHBondContact OE1-NE2 3.24Å; I245-Q248 PolarHBondContact O-N 2.7Å; Q248-G250 VanDerWaalsContact C-N 3.34Å
249H97.1Very high97.5Very high79 Ų7951.3 Ų51.337%0.36628%0.275SS..THydrogen-bonded Turntrans-94.818177-67.375.4000113.4M211 L214 V220 I245 L246 I247M211-H249 PolarHBondContact SD-CE1 3.33Å; L214-H249 HydrophobicContact CD1-CB 4.24Å; V220-H249 HydrophobicContact CG1-CB 3.95Å; I245-H249 PolarHBondContact O-N 2.79Å; I245-H249 VanDerWaalsContact O-N 3.07Å; I245-H249 PolarHBondContact O-ND1 2.96Å; L246-H249 PolarHBondContact O-N 2.78Å; I247-H249 PolarHBondContact O-N 2.96Å
250G95.9Very high97.5Very high59 Ų5946.4 Ų46.461%0.60826%0.257SS*.THydrogen-bonded Turntrans87.619.8170.100000115.2L246 I247 Q248L246-G250 PolarHBondContact O-N 2.96Å; I247-G250 PolarHBondContact O-N 3.11Å; Q248-G250 VanDerWaalsContact C-N 3.34Å
251G96.9Very high97.5Very high12 Ų1245.6 Ų45.612%0.12425%0.251CS..  trans-67.3142.617300000112.2L246 V253L246-G251 PolarHBondContact O-N 3.28Å; G251-V253 PolarHBondContact O-N 3.3Å
252D97.9Very high97.5Very high95 Ų9539.8 Ų39.851%0.50822%0.224SC..  trans-84.9110-179.4178.214.5000111.2N254 A255D252-N254 PolarHBondContact O-N 3.07Å; D252-N254 WeakPolarHBondContact OD1-CA 3.46Å; D252-N254 WeakPolarHBondContact OD1-CB 3.25Å; D252-N254 PolarHBondContact OD1-N 3.07Å; D252-A255 HydrophobicContact CB-CB 4.28Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 3.42Å; D252-A255 PolarHBondContact OD2-N 3.01Å
253V98.3Very high97.5Very high12 Ų1239.9 Ų39.97%0.07323%0.225CC..THydrogen-bonded Turntrans-65-15.2177-60.20000113.6M231 I247 G251 L279 H282 A284M231-V253 HydrophobicContact SD-CG1 4.11Å; I247-V253 HydrophobicContact CD1-CG1 3.95Å; I247-V253 HydrophobicContact CG1-CG1 3.84Å; G251-V253 PolarHBondContact O-N 3.3Å; V253-L279 HydrophobicContact CB-CD2 3.92Å; V253-L279 HydrophobicContact CG1-CD2 3.86Å; V253-H282 HydrophobicContact CG1-CB 4.03Å; V253-H282 WeakPolarHBondContact CG2-O 3.18Å; V253-A284 HydrophobicContact CB-CB 4.23Å; V253-A284 HydrophobicContact CG2-CB 4.2Å
254N98.1Very high97.6Very high61 Ų6139.9 Ų39.933%0.32623%0.225SC..THydrogen-bonded Turntrans-102.511.6175-66.9-68.1000112.6D252 G283 A284 N285D252-N254 PolarHBondContact O-N 3.07Å; D252-N254 WeakPolarHBondContact OD1-CA 3.46Å; D252-N254 WeakPolarHBondContact OD1-CB 3.25Å; D252-N254 PolarHBondContact OD1-N 3.07Å; N254-G283 PolarHBondContact ND2-O 3.29Å; N254-A284 WeakPolarHBondContact OD1-CA 3.35Å; N254-N285 PolarHBondContact OD1-N 3.12Å
255A97.9Very high97.6Very high9 Ų936.9 Ų36.97%0.07421%0.21CC..  trans-54.9145.6173.600000110.9T229 D252 T262 V263T229-A255 HydrophobicContact CG2-CB 4.32Å; D252-A255 HydrophobicContact CB-CB 4.28Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 3.42Å; D252-A255 PolarHBondContact OD2-N 3.01Å; A255-T262 WeakPolarHBondContact O-CA 3.35Å; A255-V263 HydrophobicContact CB-CG2 4.06Å; A255-V263 PolarHBondContact O-N 3.23Å
256R97.4Very high97.6Very high60 Ų6037 Ų3723%0.22621%0.211CC..BIsolated β-bridgetrans-123132.8-177.5-68.4172.666.782.7-8.6111R223 G260 D261 T262 A289R223-R256 PolarHBondContact NH1-O 3.25Å; R223-R256 PolarHBondContact NH2-O 3.47Å; R256-G260 PolarHBondContact NH1-O 2.96Å; R256-G260 VanDerWaalsContact NH2-CA 3.28Å; R256-G260 PolarHBondContact NH2-O 3.2Å; R256-D261 CarbonylContact C-O 3.53Å; R256-D261 VanDerWaalsContact CA-O 3.23Å; R256-D261 WeakPolarHBondContact CA-O 3.4Å; R256-T262 HydrophobicContact CG-CG2 4.06Å; R256-A289 PolarHBondContact NH1-O 3.39Å; R256-A289 PolarHBondContact NH2-O 3.06Å
257A96.9Very high97.6Very high11 Ų1137 Ų379%0.09121%0.211CC..  trans-66.9170.4166.800000111.3V228 N259 G260 D261V228-A257 HydrophobicContact CG2-CB 3.73Å; A257-N259 WeakPolarHBondContact CB-OD1 3.36Å; A257-N259 PolarHBondContact O-N 3.29Å; A257-G260 WeakPolarHBondContact O-CA 3.19Å; A257-G260 PolarHBondContact O-N 2.94Å; A257-D261 HydrophobicContact CB-CB 4.33Å; A257-D261 PolarHBondContact N-O 3.42Å
258S97.2Very high97.7Very high73 Ų7336.1 Ų36.151%0.5121%0.206SC..THydrogen-bonded Turntrans-64.5-25.1-178-62.30000113.5H226 G227 G260 Y291H226-S258 VanDerWaalsContact O-CB 3.3Å; H226-S258 WeakPolarHBondContact O-CB 3.38Å; H226-S258 PolarHBondContact O-N 3.28Å; H226-S258 PolarHBondContact O-OG 3.22Å; H226-S258 VanDerWaalsContact O-OG 3.11Å; G227-S258 WeakPolarHBondContact CA-OG 3.41Å; G227-S258 PolarHBondContact N-OG 3Å; S258-G260 VanDerWaalsContact C-N 3.25Å; S258-Y291 VanDerWaalsContact O-CE2 3.29Å; S258-Y291 WeakPolarHBondContact O-CE2 3.4Å
259N94.7Very high97.7Very high78 Ų7830.6 Ų30.642%0.41718%0.184SC..THydrogen-bonded Turntrans-85.33.7172.967-5.5000113.1A257 D261 Y291A257-N259 WeakPolarHBondContact CB-OD1 3.36Å; A257-N259 PolarHBondContact O-N 3.29Å; N259-D261 VanDerWaalsContact C-N 3.33Å; N259-D261 VanDerWaalsContact ND2-CG 3.29Å; N259-D261 PolarHBondContact ND2-OD2 3.13Å; N259-D261 VanDerWaalsContact OD1-CB 3.28Å; N259-D261 WeakPolarHBondContact OD1-CB 3.41Å; N259-D261 VanDerWaalsContact OD1-CG 3.26Å; N259-D261 PolarHBondContact OD1-N 3.05Å; N259-D261 PolarHBondContact OD1-OD2 2.98Å; N259-Y291 VanDerWaalsContact O-CB 3.31Å; N259-Y291 WeakPolarHBondContact O-CB 3.39Å; N259-Y291 WeakPolarHBondContact O-CD2 3.32Å; N259-Y291 PolarHBondContact O-N 2.99Å
260G97.3Very high97.6Very high0 Ų028.5 Ų28.50%018%0.178CC..  trans81.23.8-177.600000115R256 A257 S258 T262 S290R256-G260 PolarHBondContact NH1-O 2.96Å; R256-G260 VanDerWaalsContact NH2-CA 3.28Å; R256-G260 PolarHBondContact NH2-O 3.2Å; A257-G260 WeakPolarHBondContact O-CA 3.19Å; A257-G260 PolarHBondContact O-N 2.94Å; S258-G260 VanDerWaalsContact C-N 3.25Å; G260-T262 PolarHBondContact O-N 3.07Å; G260-S290 WeakPolarHBondContact O-CA 3.2Å
261D98Very high97.6Very high22 Ų2226.9 Ų26.912%0.11816%0.161CC..  trans-62.3135.3173.9-69.5-13.3000109.6R256 A257 N259 Y265 S290R256-D261 CarbonylContact C-O 3.53Å; R256-D261 VanDerWaalsContact CA-O 3.23Å; R256-D261 WeakPolarHBondContact CA-O 3.4Å; A257-D261 HydrophobicContact CB-CB 4.33Å; A257-D261 PolarHBondContact N-O 3.42Å; N259-D261 VanDerWaalsContact C-N 3.33Å; N259-D261 VanDerWaalsContact ND2-CG 3.29Å; N259-D261 PolarHBondContact ND2-OD2 3.13Å; N259-D261 VanDerWaalsContact OD1-CB 3.28Å; N259-D261 WeakPolarHBondContact OD1-CB 3.41Å; N259-D261 VanDerWaalsContact OD1-CG 3.26Å; N259-D261 PolarHBondContact OD1-N 3.05Å; N259-D261 PolarHBondContact OD1-OD2 2.98Å; D261-Y265 HydrophobicContact CB-CD1 3.71Å; D261-Y265 HydrophobicContact CB-CE1 4.21Å; D261-Y265 HydrophobicContact CB-CG 4.39Å; D261-Y265 VanDerWaalsContact CG-CD1 3.44Å; D261-Y265 VanDerWaalsContact CG-CE1 3.41Å; D261-Y265 WeakPolarHBondContact OD1-CE1 3.16Å; D261-Y265 WeakPolarHBondContact OD2-CE1 3.47Å; D261-S290 WeakPolarHBondContact OD1-CB 3.46Å; D261-S290 PolarHBondContact OD1-OG 3.3Å
262T98.5Very high97.7Very high6 Ų628.1 Ų28.14%0.03717%0.165CC..BIsolated β-bridgetrans-93.8158.517859.90000110A255 R256 G260 L264 Y265 D266 V288A255-T262 WeakPolarHBondContact O-CA 3.35Å; R256-T262 HydrophobicContact CG-CG2 4.06Å; G260-T262 PolarHBondContact O-N 3.07Å; T262-L264 PolarHBondContact O-N 2.7Å; T262-L264 VanDerWaalsContact O-N 3.13Å; T262-Y265 WeakPolarHBondContact O-CA 3.27Å; T262-Y265 WeakPolarHBondContact O-CB 3.46Å; T262-Y265 PolarHBondContact O-N 3.37Å; T262-Y265 WeakPolarHBondContact OG1-CB 3.42Å; T262-Y265 PolarHBondContact OG1-N 3.21Å; T262-Y265 VanDerWaalsContact OG1-N 3.13Å; T262-D266 PolarHBondContact O-N 3.39Å; T262-V288 HydrophobicContact CG2-CB 4.12Å; T262-V288 HydrophobicContact CG2-CG1 4.08Å
263V98.5Very high97.7Very high3 Ų325.7 Ų25.72%0.01815%0.152CC..Hα-helixtrans-53.4-37.6173-176.10000112M231 A235 L243 A255 Y265 D266 A267 L279M231-V263 HydrophobicContact CG-CG1 3.8Å; M231-V263 HydrophobicContact CG-CG2 4.33Å; M231-V263 HydrophobicContact SD-CG1 4.2Å; M231-V263 HydrophobicContact SD-CG2 4.34Å; A235-V263 HydrophobicContact CB-CG1 3.65Å; A235-V263 WeakPolarHBondContact CB-O 3.43Å; L243-V263 HydrophobicContact CD1-CG1 4.46Å; A255-V263 HydrophobicContact CB-CG2 4.06Å; A255-V263 PolarHBondContact O-N 3.23Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-D266 PolarHBondContact O-N 3.47Å; V263-A267 WeakPolarHBondContact O-CB 3.3Å; V263-A267 PolarHBondContact O-N 2.63Å; V263-L279 HydrophobicContact CB-CD2 4.42Å; V263-L279 HydrophobicContact CG1-CD1 3.86Å; V263-L279 HydrophobicContact CG1-CD2 3.68Å; V263-L279 HydrophobicContact CG1-CG 4.44Å
264L98.8Very high97.7Very high1 Ų129.8 Ų29.81%0.00517%0.173CC..Hα-helixtrans-68.5-32.2175.8-176.261.4000112.9T262 S268 V276 L279 L280 A284 P286 P296T262-L264 PolarHBondContact O-N 2.7Å; T262-L264 VanDerWaalsContact O-N 3.13Å; L264-S268 WeakPolarHBondContact O-CB 3.39Å; L264-S268 PolarHBondContact O-N 3.04Å; L264-S268 PolarHBondContact O-OG 3.15Å; L264-V276 HydrophobicContact CD1-CG1 4.06Å; L264-L279 HydrophobicContact CD1-CB 4.1Å; L264-L279 HydrophobicContact CD1-CD1 4.28Å; L264-L280 HydrophobicContact CD1-CD2 4.4Å; L264-L280 HydrophobicContact CD1-CG 4.28Å; L264-L280 HydrophobicContact CD2-CD2 3.76Å; L264-L280 HydrophobicContact CD2-CG 4.5Å; L264-A284 HydrophobicContact CB-CB 4.11Å; L264-A284 HydrophobicContact CD2-CB 4.12Å; L264-P286 HydrophobicContact CD2-CB 3.88Å; L264-P296 HydrophobicContact CB-CG 4.34Å; L264-P296 HydrophobicContact CD2-CB 4.45Å; L264-P296 HydrophobicContact CD2-CG 4.14Å; L264-P296 HydrophobicContact CG-CB 4.1Å; L264-P296 HydrophobicContact CG-CG 3.98Å
265Y98.6Very high97.7Very high25 Ų2526.9 Ų26.910%0.09816%0.158CC..Hα-helixtrans-64.8-46.7172.7-178.7-90.9000110.9D261 T262 V263 S268 G269 Q294 R299D261-Y265 HydrophobicContact CB-CD1 3.71Å; D261-Y265 HydrophobicContact CB-CE1 4.21Å; D261-Y265 HydrophobicContact CB-CG 4.39Å; D261-Y265 VanDerWaalsContact CG-CD1 3.44Å; D261-Y265 VanDerWaalsContact CG-CE1 3.41Å; D261-Y265 WeakPolarHBondContact OD1-CE1 3.16Å; D261-Y265 WeakPolarHBondContact OD2-CE1 3.47Å; T262-Y265 WeakPolarHBondContact O-CA 3.27Å; T262-Y265 WeakPolarHBondContact O-CB 3.46Å; T262-Y265 PolarHBondContact O-N 3.37Å; T262-Y265 WeakPolarHBondContact OG1-CB 3.42Å; T262-Y265 PolarHBondContact OG1-N 3.21Å; T262-Y265 VanDerWaalsContact OG1-N 3.13Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; Y265-S268 WeakPolarHBondContact O-CB 3.28Å; Y265-S268 PolarHBondContact O-N 3.3Å; Y265-S268 VanDerWaalsContact O-N 3.12Å; Y265-G269 PolarHBondContact O-N 3.19Å; Y265-G269 VanDerWaalsContact O-N 3.14Å; Y265-Q294 HydrophobicContact CE2-CB 3.55Å; Y265-R299 HydrophobicContact CD1-CG 4.49Å; Y265-R299 HydrophobicContact CD2-CB 3.92Å; Y265-R299 HydrophobicContact CD2-CG 4.47Å; Y265-R299 HydrophobicContact CE1-CG 4.19Å; Y265-R299 HydrophobicContact CE2-CB 3.59Å; Y265-R299 HydrophobicContact CE2-CG 4.14Å
266D98.1Very high97.8Very high23 Ų2326.4 Ų26.412%0.12315%0.154CC..Hα-helixtrans-62.1-46.1177.3-61.1-29000111.5A235 E236 T262 V263 S268 G269 S270A235-D266 HydrophobicContact CB-CB 4.27Å; E236-D266 HydrophobicContact CB-CB 4.19Å; T262-D266 PolarHBondContact O-N 3.39Å; V263-D266 PolarHBondContact O-N 3.47Å; D266-S268 PolarHBondContact O-N 3.36Å; D266-G269 PolarHBondContact O-N 3.48Å; D266-S270 PolarHBondContact O-N 3.47Å
267A98.6Very high97.9Very high0 Ų027.3 Ų27.30%016%0.162CC..Hα-helixtrans-59.1-36.3173.700000112.6A235 V263 G269 S270 G271 C275 V276 L279A235-A267 HydrophobicContact CB-CB 3.91Å; A235-A267 WeakPolarHBondContact O-CA 3.26Å; V263-A267 WeakPolarHBondContact O-CB 3.3Å; V263-A267 PolarHBondContact O-N 2.63Å; A267-G269 PolarHBondContact O-N 3.34Å; A267-S270 PolarHBondContact O-N 2.92Å; A267-S270 PolarHBondContact O-OG 3.34Å; A267-G271 PolarHBondContact O-N 3.25Å; A267-C275 HydrophobicContact CB-CB 4.19Å; A267-V276 HydrophobicContact CB-CG2 3.92Å; A267-L279 HydrophobicContact CB-CD1 3.53Å
268S98.6Very high97.9Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-69.3-25.8178.4-61.10000112.5L264 Y265 D266 P296 H305L264-S268 WeakPolarHBondContact O-CB 3.39Å; L264-S268 PolarHBondContact O-N 3.04Å; L264-S268 PolarHBondContact O-OG 3.15Å; Y265-S268 WeakPolarHBondContact O-CB 3.28Å; Y265-S268 PolarHBondContact O-N 3.3Å; Y265-S268 VanDerWaalsContact O-N 3.12Å; D266-S268 PolarHBondContact O-N 3.36Å; S268-P296 WeakPolarHBondContact CB-O 3.4Å; S268-P296 WeakPolarHBondContact OG-CB 3.37Å; S268-H305 PolarHBondContact O-CD2 3.21Å; S268-H305 VanDerWaalsContact O-CD2 3.29Å
269G97.4Very high98Very high14 Ų1424.2 Ų24.214%0.14414%0.138CC..Hα-helixtrans-79.6-27.1173.500000114.1Y265 D266 A267 G271 H305Y265-G269 PolarHBondContact O-N 3.19Å; Y265-G269 VanDerWaalsContact O-N 3.14Å; D266-G269 PolarHBondContact O-N 3.48Å; A267-G269 PolarHBondContact O-N 3.34Å; G269-G271 VanDerWaalsContact C-N 3.32Å; G269-H305 PolarHBondContact O-CD2 3.32Å; G269-H305 PolarHBondContact O-NE2 2.93Å
270S96.9Very high98.2Very high35 Ų3522.5 Ų22.525%0.24513%0.128CC..Hα-helixtrans-75.6-22178.577.50000113.5A235 E236 D266 A267 N272A235-S270 VanDerWaalsContact O-CB 3.3Å; A235-S270 WeakPolarHBondContact O-CB 3.28Å; A235-S270 PolarHBondContact O-OG 2.88Å; E236-S270 WeakPolarHBondContact O-CB 3.41Å; D266-S270 PolarHBondContact O-N 3.47Å; A267-S270 PolarHBondContact O-N 2.92Å; A267-S270 PolarHBondContact O-OG 3.34Å; S270-N272 PolarHBondContact O-N 2.93Å; S270-N272 PolarHBondContact OG-N 3.18Å
271G95.5Very high98.3Very high24 Ų2429 Ų2925%0.24716%0.159CC..  trans76.50.1-178.300000114.5A267 G269 L273 H305A267-G271 PolarHBondContact O-N 3.25Å; G269-G271 VanDerWaalsContact C-N 3.32Å; G271-L273 PolarHBondContact O-N 3.5Å; G271-L273 VanDerWaalsContact O-N 3.1Å; G271-H305 WeakPolarHBondContact CA-CD2 3.42Å; G271-H305 WeakPolarHBondContact CA-ND1 3.22Å; G271-H305 PolarHBondContact N-CD2 3.4Å; G271-H305 PolarHBondContact N-NE2 3.41Å
272N98.1Very high98.3Very high39 Ų3932.8 Ų32.821%0.20918%0.176CC..  trans-74.3103.4176.6-173.2-43.6000110.1G238 T240 S270 D274 C275 V276G238-N272 PolarHBondContact O-ND2 2.87Å; T240-N272 PolarHBondContact OG1-ND2 3.08Å; T240-N272 PolarHBondContact OG1-OD1 2.93Å; S270-N272 PolarHBondContact O-N 2.93Å; S270-N272 PolarHBondContact OG-N 3.18Å; N272-D274 VanDerWaalsContact C-N 3.28Å; N272-D274 PolarHBondContact O-N 3.49Å; N272-D274 WeakPolarHBondContact OD1-CA 3.25Å; N272-D274 WeakPolarHBondContact OD1-CB 3.31Å; N272-D274 PolarHBondContact OD1-N 3.22Å; N272-C275 HydrophobicContact CB-CB 4.18Å; N272-C275 PolarHBondContact O-N 2.95Å; N272-C275 PolarHBondContact OD1-N 2.96Å; N272-V276 PolarHBondContact O-N 3.23Å
273L98.6Very high98.3Very high44 Ų4434.7 Ų34.723%0.2320%0.197CC..Hα-helixtrans-60.6-36.2-179.4-179.862.9000112.6G271 V276 M277 L307 V308 T311G271-L273 PolarHBondContact O-N 3.5Å; G271-L273 VanDerWaalsContact O-N 3.1Å; L273-V276 PolarHBondContact O-N 2.95Å; L273-M277 HydrophobicContact CD1-CG 4.16Å; L273-M277 HydrophobicContact CD1-SD 4.44Å; L273-M277 HydrophobicContact CD2-SD 4.47Å; L273-M277 HydrophobicContact CG-CG 4.27Å; L273-M277 HydrophobicContact CG-SD 4.13Å; L273-M277 WeakPolarHBondContact O-CB 3.47Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.33Å; L273-L307 HydrophobicContact CD2-CB 4.33Å; L273-V308 HydrophobicContact CB-CG2 4.49Å; L273-V308 HydrophobicContact CD1-CG2 4.41Å; L273-T311 HydrophobicContact CD1-CG2 4.48Å; L273-T311 WeakPolarHBondContact CD1-OG1 3.49Å
274D98.6Very high98.3Very high97 Ų9734.9 Ų34.952%0.51920%0.198SC..Hα-helixtrans-67.1-40.4-178.7-59.4-36.1000110.8T240 N272 V276 M277 L278T240-D274 HydrophobicContact CG2-CB 3.73Å; N272-D274 VanDerWaalsContact C-N 3.28Å; N272-D274 PolarHBondContact O-N 3.49Å; N272-D274 WeakPolarHBondContact OD1-CA 3.25Å; N272-D274 WeakPolarHBondContact OD1-CB 3.31Å; N272-D274 PolarHBondContact OD1-N 3.22Å; D274-V276 PolarHBondContact O-N 3.17Å; D274-M277 PolarHBondContact O-N 3.26Å; D274-L278 WeakPolarHBondContact O-CB 3.09Å; D274-L278 PolarHBondContact O-N 2.97Å
275C98.6Very high98.3Very high0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-58.6-47.2172.1-73.70000111.6L243 A267 N272 L278 L279L243-C275 HydrophobicContact CD2-CB 3.75Å; A267-C275 HydrophobicContact CB-CB 4.19Å; N272-C275 HydrophobicContact CB-CB 4.18Å; N272-C275 PolarHBondContact O-N 2.95Å; N272-C275 PolarHBondContact OD1-N 2.96Å; C275-L278 PolarHBondContact O-N 2.67Å; C275-L279 WeakPolarHBondContact O-CB 3.46Å; C275-L279 VanDerWaalsContact O-CG 3.27Å; C275-L279 WeakPolarHBondContact O-CG 2.76Å; C275-L279 PolarHBondContact O-N 3.13Å
276V98.8Very high98.3Very high0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-62.3-46.1179.5170.80000110.9L264 A267 N272 L273 D274 L279 L280 V308 L312L264-V276 HydrophobicContact CD1-CG1 4.06Å; A267-V276 HydrophobicContact CB-CG2 3.92Å; N272-V276 PolarHBondContact O-N 3.23Å; L273-V276 PolarHBondContact O-N 2.95Å; D274-V276 PolarHBondContact O-N 3.17Å; V276-L279 PolarHBondContact O-N 2.93Å; V276-L280 HydrophobicContact CG1-CD1 3.95Å; V276-L280 WeakPolarHBondContact O-CB 3.49Å; V276-L280 VanDerWaalsContact O-CG 3.28Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 2.86Å; V276-V308 HydrophobicContact CG1-CG1 4.28Å; V276-V308 HydrophobicContact CG2-CG1 3.86Å; V276-V308 HydrophobicContact CG2-CG2 4.08Å; V276-L312 HydrophobicContact CG1-CD2 4.31Å
277M98.8Very high98.3Very high78 Ų7838.3 Ų38.338%0.38422%0.219SC..Hα-helixtrans-62.9-45.1178-77.1-172.854.600112L273 D274 L279 L280 Q281L273-M277 HydrophobicContact CD1-CG 4.16Å; L273-M277 HydrophobicContact CD1-SD 4.44Å; L273-M277 HydrophobicContact CD2-SD 4.47Å; L273-M277 HydrophobicContact CG-CG 4.27Å; L273-M277 HydrophobicContact CG-SD 4.13Å; L273-M277 WeakPolarHBondContact O-CB 3.47Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.33Å; D274-M277 PolarHBondContact O-N 3.26Å; M277-L279 PolarHBondContact O-N 2.99Å; M277-L280 PolarHBondContact O-N 3.2Å; M277-Q281 WeakPolarHBondContact O-CB 3.21Å; M277-Q281 WeakPolarHBondContact O-CG 3.48Å; M277-Q281 PolarHBondContact O-N 3.25Å
278L98.6Very high98.3Very high19 Ų1940.4 Ų40.410%0.09923%0.232CC..Hα-helixtrans-59.6-47.1178.3-176.766.5000111T240 L243 E244 I247 D274 C275 L280 Q281 H282T240-L278 HydrophobicContact CG2-CD2 4.31Å; L243-L278 HydrophobicContact CB-CD2 4.35Å; L243-L278 HydrophobicContact CD2-CD2 4.34Å; L243-L278 HydrophobicContact CG-CD2 4.14Å; E244-L278 HydrophobicContact CB-CD2 3.88Å; I247-L278 HydrophobicContact CD1-CD2 4.04Å; I247-L278 HydrophobicContact CD1-CG 3.92Å; D274-L278 WeakPolarHBondContact O-CB 3.09Å; D274-L278 PolarHBondContact O-N 2.97Å; C275-L278 PolarHBondContact O-N 2.67Å; L278-L280 PolarHBondContact O-N 3.17Å; L278-Q281 PolarHBondContact O-N 3.14Å; L278-H282 PolarHBondContact O-CD2 3.12Å; L278-H282 VanDerWaalsContact O-CD2 3.26Å; L278-H282 PolarHBondContact O-N 3.38Å
279L98.8Very high98.2Very high0 Ų042 Ų420%025%0.245CC..Hα-helixtrans-61.2-45.3177.5-72.7167.4000112.3A235 L243 I247 V253 V263 L264 A267 C275 V276 M277 Q281 H282 G283 A284A235-L279 HydrophobicContact CB-CD1 4.49Å; L243-L279 HydrophobicContact CD1-CD2 4.21Å; L243-L279 HydrophobicContact CD2-CD1 4.1Å; L243-L279 HydrophobicContact CD2-CD2 4.27Å; L243-L279 HydrophobicContact CD2-CG 3.94Å; I247-L279 HydrophobicContact CD1-CD2 4.46Å; V253-L279 HydrophobicContact CB-CD2 3.92Å; V253-L279 HydrophobicContact CG1-CD2 3.86Å; V263-L279 HydrophobicContact CB-CD2 4.42Å; V263-L279 HydrophobicContact CG1-CD1 3.86Å; V263-L279 HydrophobicContact CG1-CD2 3.68Å; V263-L279 HydrophobicContact CG1-CG 4.44Å; L264-L279 HydrophobicContact CD1-CB 4.1Å; L264-L279 HydrophobicContact CD1-CD1 4.28Å; A267-L279 HydrophobicContact CB-CD1 3.53Å; C275-L279 WeakPolarHBondContact O-CB 3.46Å; C275-L279 VanDerWaalsContact O-CG 3.27Å; C275-L279 WeakPolarHBondContact O-CG 2.76Å; C275-L279 PolarHBondContact O-N 3.13Å; V276-L279 PolarHBondContact O-N 2.93Å; M277-L279 PolarHBondContact O-N 2.99Å; L279-Q281 PolarHBondContact O-N 3.13Å; L279-H282 CarbonylContact O-C 3.45Å; L279-H282 PolarHBondContact O-N 3.09Å; L279-G283 PolarHBondContact O-N 2.89Å; L279-A284 HydrophobicContact CB-CB 3.82Å; L279-A284 WeakPolarHBondContact O-CB 2.98Å; L279-A284 PolarHBondContact O-N 3.3Å
280L98.8Very high98.1Very high42 Ų4241.7 Ų41.722%0.2224%0.24CC..Hα-helixtrans-63.1-40.9177.5-71171.9000111.9L264 V276 M277 L278 H282 G283 P286 T311 L312 V315L264-L280 HydrophobicContact CD1-CD2 4.4Å; L264-L280 HydrophobicContact CD1-CG 4.28Å; L264-L280 HydrophobicContact CD2-CD2 3.76Å; L264-L280 HydrophobicContact CD2-CG 4.5Å; V276-L280 HydrophobicContact CG1-CD1 3.95Å; V276-L280 WeakPolarHBondContact O-CB 3.49Å; V276-L280 VanDerWaalsContact O-CG 3.28Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 2.86Å; M277-L280 PolarHBondContact O-N 3.2Å; L278-L280 PolarHBondContact O-N 3.17Å; L280-H282 PolarHBondContact O-N 2.9Å; L280-G283 PolarHBondContact O-N 3.33Å; L280-G283 VanDerWaalsContact O-N 3.12Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 4.24Å; L280-T311 HydrophobicContact CD1-CG2 4.06Å; L280-L312 HydrophobicContact CD1-CD2 4.46Å; L280-V315 HydrophobicContact CD1-CG2 4.45Å; L280-V315 HydrophobicContact CD2-CG2 4.41Å
281Q98.5Very high98.1Very high137 Ų13747.7 Ų47.764%0.6426%0.259SS*.Hα-helixtrans-61.3-34.3175.7-74.71702.800112.3M277 L278 L279 G283M277-Q281 WeakPolarHBondContact O-CB 3.21Å; M277-Q281 WeakPolarHBondContact O-CG 3.48Å; M277-Q281 PolarHBondContact O-N 3.25Å; L278-Q281 PolarHBondContact O-N 3.14Å; L279-Q281 PolarHBondContact O-N 3.13Å; Q281-G283 VanDerWaalsContact C-N 3.33Å
282H98.6Very high98Very high101 Ų10149.7 Ų49.747%0.46827%0.273SS..THydrogen-bonded Turntrans-89.810.1177.2-75.9-80.7000114.2I247 V253 L278 L279 L280I247-H282 HydrophobicContact CD1-CB 4.45Å; I247-H282 HydrophobicContact CG2-CB 4.31Å; V253-H282 HydrophobicContact CG1-CB 4.03Å; V253-H282 WeakPolarHBondContact CG2-O 3.18Å; L278-H282 PolarHBondContact O-CD2 3.12Å; L278-H282 VanDerWaalsContact O-CD2 3.26Å; L278-H282 PolarHBondContact O-N 3.38Å; L279-H282 CarbonylContact O-C 3.45Å; L279-H282 PolarHBondContact O-N 3.09Å; L280-H282 PolarHBondContact O-N 2.9Å
283G98.3Very high97.9Very high47 Ų4749.4 Ų49.449%0.48527%0.274SS..THydrogen-bonded Turntrans9021.117000000115.5N254 L279 L280 Q281 N285N254-G283 PolarHBondContact ND2-O 3.29Å; L279-G283 PolarHBondContact O-N 2.89Å; L280-G283 PolarHBondContact O-N 3.33Å; L280-G283 VanDerWaalsContact O-N 3.12Å; Q281-G283 VanDerWaalsContact C-N 3.33Å; G283-N285 PolarHBondContact O-N 3.02Å
284A98.6Very high97.8Very high6 Ų649.2 Ų49.25%0.0527%0.272CS..  trans-62.3133.1168.400000110.5V253 N254 L264 L279 P286V253-A284 HydrophobicContact CB-CB 4.23Å; V253-A284 HydrophobicContact CG2-CB 4.2Å; N254-A284 WeakPolarHBondContact OD1-CA 3.35Å; L264-A284 HydrophobicContact CB-CB 4.11Å; L264-A284 HydrophobicContact CD2-CB 4.12Å; L279-A284 HydrophobicContact CB-CB 3.82Å; L279-A284 WeakPolarHBondContact O-CB 2.98Å; L279-A284 PolarHBondContact O-N 3.3Å; A284-P286 VanDerWaalsContact O-CD 3.32Å; A284-P286 WeakPolarHBondContact O-CD 3.46Å
285N98.6Very high97.8Very high67 Ų6744.6 Ų44.636%0.35825%0.247SC..  trans-91.6112.3-175-175.4-3.1000112.2N254 G283 N287 V288N254-N285 PolarHBondContact OD1-N 3.12Å; G283-N285 PolarHBondContact O-N 3.02Å; N285-N287 PolarHBondContact O-N 2.99Å; N285-N287 VanDerWaalsContact O-N 3.11Å; N285-N287 VanDerWaalsContact OD1-CB 3.29Å; N285-N287 WeakPolarHBondContact OD1-CB 3.31Å; N285-N287 PolarHBondContact OD1-N 3.47Å; N285-N287 PolarHBondContact OD1-ND2 3.3Å; N285-V288 HydrophobicContact CB-CG2 3.77Å; N285-V288 WeakPolarHBondContact ND2-CG2 3.43Å
286P98.5Very high97.8Very high11 Ų1144.6 Ų44.67%0.07125%0.247CC..THydrogen-bonded Turntrans-73.5-0.5-179.732-37.1000114.2L264 L280 A284 L312 V315L264-P286 HydrophobicContact CD2-CB 3.88Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 4.24Å; A284-P286 VanDerWaalsContact O-CD 3.32Å; A284-P286 WeakPolarHBondContact O-CD 3.46Å; P286-L312 HydrophobicContact CB-CD2 4.31Å; P286-V315 HydrophobicContact CB-CG2 4.04Å; P286-V315 HydrophobicContact CG-CB 3.98Å; P286-V315 HydrophobicContact CG-CG2 3.81Å; P286-V315 WeakPolarHBondContact CG-O 3.47Å
287N98.6Very high97.8Very high44 Ų4444.6 Ų44.624%0.23525%0.247CC..THydrogen-bonded Turntrans-105.37.9-175.2-61.6-75.5000113.6N285 V315 T317 A320N285-N287 PolarHBondContact O-N 2.99Å; N285-N287 VanDerWaalsContact O-N 3.11Å; N285-N287 VanDerWaalsContact OD1-CB 3.29Å; N285-N287 WeakPolarHBondContact OD1-CB 3.31Å; N285-N287 PolarHBondContact OD1-N 3.47Å; N285-N287 PolarHBondContact OD1-ND2 3.3Å; N287-V315 PolarHBondContact ND2-O 3.41Å; N287-T317 WeakPolarHBondContact OD1-CB 3.46Å; N287-T317 WeakPolarHBondContact OD1-CG2 3.5Å; N287-T317 PolarHBondContact OD1-N 3.14Å; N287-T317 PolarHBondContact OD1-OG1 2.96Å; N287-A320 HydrophobicContact CB-CB 3.82Å; N287-A320 WeakPolarHBondContact OD1-CB 3.48Å
288V97.8Very high97.8Very high44 Ų4440.9 Ų40.927%0.26723%0.229SC..PPolyproline II helixtrans-96.7122.1179.6-171.80000109.1T262 N285T262-V288 HydrophobicContact CG2-CB 4.12Å; T262-V288 HydrophobicContact CG2-CG1 4.08Å; N285-V288 HydrophobicContact CB-CG2 3.77Å; N285-V288 WeakPolarHBondContact ND2-CG2 3.43Å
289A96.8Very high97.8Very high33 Ų3343.6 Ų43.627%0.27324%0.238SC..PPolyproline II helixtrans-86.2152.5178.600000112.3R256 Q294 L295R256-A289 PolarHBondContact NH1-O 3.39Å; R256-A289 PolarHBondContact NH2-O 3.06Å; A289-Q294 CarbonylContact C-O 3.46Å; A289-Q294 WeakPolarHBondContact CA-O 3.27Å; A289-L295 HydrophobicContact CB-CD2 3.92Å; A289-L295 HydrophobicContact CB-CG 4.47Å
290S96.6Very high97.8Very high7 Ų743.6 Ų43.65%0.04924%0.238CC..PPolyproline II helixtrans-72172.3163.172.40000111.1G260 D261 A292 C293 Q294G260-S290 WeakPolarHBondContact O-CA 3.2Å; D261-S290 WeakPolarHBondContact OD1-CB 3.46Å; D261-S290 PolarHBondContact OD1-OG 3.3Å; S290-A292 PolarHBondContact O-N 3.03Å; S290-A292 PolarHBondContact OG-N 3.34Å; S290-C293 WeakPolarHBondContact O-CA 3.37Å; S290-C293 PolarHBondContact O-N 3.3Å; S290-Q294 PolarHBondContact N-O 3.29Å; S290-Q294 PolarHBondContact OG-N 2.8Å
291Y95.4Very high97.8Very high162 Ų16241.6 Ų41.664%0.63523%0.227SC*.THydrogen-bonded Turntrans-68.9-17.9176-58.9-29.6000112.8S258 N259 C293S258-Y291 VanDerWaalsContact O-CE2 3.29Å; S258-Y291 WeakPolarHBondContact O-CE2 3.4Å; N259-Y291 VanDerWaalsContact O-CB 3.31Å; N259-Y291 WeakPolarHBondContact O-CB 3.39Å; N259-Y291 WeakPolarHBondContact O-CD2 3.32Å; N259-Y291 PolarHBondContact O-N 2.99Å; Y291-C293 PolarHBondContact O-N 3.2Å
292A93.7Very high97.9Very high66 Ų6639 Ų3955%0.54521%0.212SC..THydrogen-bonded Turntrans-80.413.4167.500000113.2S290 Q294S290-A292 PolarHBondContact O-N 3.03Å; S290-A292 PolarHBondContact OG-N 3.34Å; A292-Q294 HydrophobicContact CB-CG 4.18Å; A292-Q294 PolarHBondContact O-N 3.41Å; A292-Q294 VanDerWaalsContact O-N 3.17Å
293C96.1Very high97.8Very high33 Ų3337.3 Ų37.322%0.22321%0.205CC..SBendtrans58.523.9-177.3-58.60000113.9S290 Y291 S324 I359S290-C293 WeakPolarHBondContact O-CA 3.37Å; S290-C293 PolarHBondContact O-N 3.3Å; Y291-C293 PolarHBondContact O-N 3.2Å; C293-S324 WeakPolarHBondContact CB-O 3.32Å; C293-S324 WeakPolarHBondContact O-CB 3.41Å; C293-I359 HydrophobicContact CB-CD1 3.99Å
294Q97.6Very high97.9Very high39 Ų3936 Ų3618%0.18219%0.19CC..  trans-93.2144178.7-57.8-66.6-43.900110.9Y265 A289 S290 A292 H298Y265-Q294 HydrophobicContact CE2-CB 3.55Å; A289-Q294 CarbonylContact C-O 3.46Å; A289-Q294 WeakPolarHBondContact CA-O 3.27Å; S290-Q294 PolarHBondContact N-O 3.29Å; S290-Q294 PolarHBondContact OG-N 2.8Å; A292-Q294 HydrophobicContact CB-CG 4.18Å; A292-Q294 PolarHBondContact O-N 3.41Å; A292-Q294 VanDerWaalsContact O-N 3.17Å; Q294-H298 VanDerWaalsContact OE1-CB 3.25Å
295L98.8Very high97.9Very high1 Ų138.1 Ų38.11%0.00520%0.199CC..  trans-110.3161.7175.6-67167.6000108.5A289 I297 H298 R299 T316 A320 I321A289-L295 HydrophobicContact CB-CD2 3.92Å; A289-L295 HydrophobicContact CB-CG 4.47Å; L295-I297 HydrophobicContact CB-CG2 3.95Å; L295-I297 HydrophobicContact CD1-CG2 4.38Å; L295-I297 PolarHBondContact O-N 3.39Å; L295-I297 VanDerWaalsContact O-N 3.13Å; L295-H298 WeakPolarHBondContact CB-ND1 3.42Å; L295-H298 PolarHBondContact N-ND1 2.99Å; L295-H298 WeakPolarHBondContact O-CA 3.49Å; L295-H298 WeakPolarHBondContact O-CB 3.41Å; L295-H298 PolarHBondContact O-N 3.3Å; L295-R299 PolarHBondContact O-N 3.27Å; L295-T316 HydrophobicContact CD1-CG2 4.09Å; L295-A320 HydrophobicContact CD1-CB 3.94Å; L295-A320 HydrophobicContact CD2-CB 4.38Å; L295-I321 HydrophobicContact CD1-CG1 4.11Å
296P98.8Very high97.9Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-50.5-38.1172.9-29.937.1000113.6L264 S268 H298 R299 A300 L312L264-P296 HydrophobicContact CB-CG 4.34Å; L264-P296 HydrophobicContact CD2-CB 4.45Å; L264-P296 HydrophobicContact CD2-CG 4.14Å; L264-P296 HydrophobicContact CG-CB 4.1Å; L264-P296 HydrophobicContact CG-CG 3.98Å; S268-P296 WeakPolarHBondContact CB-O 3.4Å; S268-P296 WeakPolarHBondContact OG-CB 3.37Å; P296-H298 VanDerWaalsContact C-N 3.3Å; P296-H298 PolarHBondContact O-N 3.36Å; P296-R299 PolarHBondContact O-N 3.41Å; P296-A300 PolarHBondContact O-N 2.81Å; P296-L312 HydrophobicContact CB-CD1 4.02Å; P296-L312 HydrophobicContact CB-CD2 4.37Å
297I98.8Very high97.9Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-62.5-34.1176.6-162.9174.7000112.9L295 A301 L309 L312 I313 T316 I321 P328 F349L295-I297 HydrophobicContact CB-CG2 3.95Å; L295-I297 HydrophobicContact CD1-CG2 4.38Å; L295-I297 PolarHBondContact O-N 3.39Å; L295-I297 VanDerWaalsContact O-N 3.13Å; I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.27Å; I297-A301 PolarHBondContact O-N 3.07Å; I297-A301 VanDerWaalsContact O-N 3.13Å; I297-L309 HydrophobicContact CD1-CD1 4.29Å; I297-L309 HydrophobicContact CG1-CD1 3.51Å; I297-L312 HydrophobicContact CB-CB 4.27Å; I297-L312 HydrophobicContact CG1-CB 4.23Å; I297-I313 HydrophobicContact CD1-CG1 4.01Å; I297-T316 HydrophobicContact CB-CG2 4.48Å; I297-T316 HydrophobicContact CG2-CG2 3.98Å; I297-I321 HydrophobicContact CG2-CG1 4.5Å; I297-P328 HydrophobicContact CD1-CG 4.19Å; I297-P328 HydrophobicContact CG1-CB 4.26Å; I297-P328 HydrophobicContact CG1-CG 4.42Å; I297-F349 HydrophobicContact CD1-CZ 4.18Å
298H98.8Very high97.9Very high0 Ų037.8 Ų37.80%020%0.198CC..Hα-helixtrans-70.4-43.7177.2-64.2117.2000110.8Q294 L295 P296 A301 Y302 S324 Q326 S331Q294-H298 VanDerWaalsContact OE1-CB 3.25Å; L295-H298 WeakPolarHBondContact CB-ND1 3.42Å; L295-H298 PolarHBondContact N-ND1 2.99Å; L295-H298 WeakPolarHBondContact O-CA 3.49Å; L295-H298 WeakPolarHBondContact O-CB 3.41Å; L295-H298 PolarHBondContact O-N 3.3Å; P296-H298 VanDerWaalsContact C-N 3.3Å; P296-H298 PolarHBondContact O-N 3.36Å; H298-A301 PolarHBondContact O-N 3.19Å; H298-Y302 WeakPolarHBondContact O-CB 3.44Å; H298-Y302 PolarHBondContact O-N 2.88Å; H298-S324 PolarHBondContact CE1-OG 2.94Å; H298-Q326 PolarHBondContact CD2-NE2 2.92Å; H298-Q326 PolarHBondContact CE1-O 3.29Å; H298-Q326 PolarHBondContact ND1-NE2 2.96Å; H298-Q326 PolarHBondContact NE2-NE2 2.75Å; H298-Q326 PolarHBondContact NE2-O 3.39Å; H298-S331 PolarHBondContact CD2-OG 2.68Å; H298-S331 VanDerWaalsContact O-CB 3.32Å; H298-S331 WeakPolarHBondContact O-CB 3.46Å
299R98.6Very high97.9Very high75 Ų7535.7 Ų35.728%0.28319%0.185SC..Hα-helixtrans-61.1-48177.8-170.163.8172.314416.1111.8Y265 L295 P296 A301 Y302 E303Y265-R299 HydrophobicContact CD1-CG 4.49Å; Y265-R299 HydrophobicContact CD2-CB 3.92Å; Y265-R299 HydrophobicContact CD2-CG 4.47Å; Y265-R299 HydrophobicContact CE1-CG 4.19Å; Y265-R299 HydrophobicContact CE2-CB 3.59Å; Y265-R299 HydrophobicContact CE2-CG 4.14Å; L295-R299 PolarHBondContact O-N 3.27Å; P296-R299 PolarHBondContact O-N 3.41Å; R299-A301 VanDerWaalsContact C-N 3.31Å; R299-A301 PolarHBondContact O-N 3.46Å; R299-Y302 PolarHBondContact O-N 2.81Å; R299-E303 IonicContact CZ-OE1 3.11Å; R299-E303 IonicContact NE-OE1 3.24Å; R299-E303 IonicContact NH1-OE1 2.7Å; R299-E303 PolarHBondContact NH1-OE1 3.46Å; R299-E303 IonicContact NH2-OE1 2.88Å; R299-E303 PolarHBondContact NH2-OE1 3.23Å; R299-E303 WeakPolarHBondContact O-CG 3.4Å; R299-E303 PolarHBondContact O-N 3.07Å
300A98.8Very high98Very high0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-61.3-39.417700000112.5P296 G304 H305 V308 L309 L312P296-A300 PolarHBondContact O-N 2.81Å; A300-G304 PolarHBondContact O-N 3.33Å; A300-H305 PolarHBondContact O-N 3.04Å; A300-V308 HydrophobicContact CB-CB 4.28Å; A300-V308 HydrophobicContact CB-CG1 3.7Å; A300-L309 HydrophobicContact CB-CB 4.27Å; A300-L312 HydrophobicContact CB-CD1 3.99Å
301A98.8Very high98.1Very high0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-68.1-38.8177.500000112.8I297 H298 R299 L309 P328 A332 Q337 L344I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.27Å; I297-A301 PolarHBondContact O-N 3.07Å; I297-A301 VanDerWaalsContact O-N 3.13Å; H298-A301 PolarHBondContact O-N 3.19Å; R299-A301 VanDerWaalsContact C-N 3.31Å; R299-A301 PolarHBondContact O-N 3.46Å; A301-L309 HydrophobicContact CB-CD1 4.11Å; A301-L309 HydrophobicContact CB-CD2 4.16Å; A301-P328 HydrophobicContact CB-CB 4.05Å; A301-A332 HydrophobicContact CB-CB 4.22Å; A301-A332 WeakPolarHBondContact O-CA 3.4Å; A301-Q337 WeakPolarHBondContact O-CG 2.93Å; A301-L344 HydrophobicContact CB-CD1 4.45Å
302Y98.8Very high98.3Very high83 Ų8334.6 Ų34.633%0.32518%0.176SC..Hα-helixtrans-68.5-43.6177.4-178.5-94.7000112.7H298 R299 G304 S331 D334 Q337H298-Y302 WeakPolarHBondContact O-CB 3.44Å; H298-Y302 PolarHBondContact O-N 2.88Å; R299-Y302 PolarHBondContact O-N 2.81Å; Y302-G304 VanDerWaalsContact C-N 3.29Å; Y302-G304 PolarHBondContact O-N 3.45Å; Y302-S331 WeakPolarHBondContact CA-O 3.05Å; Y302-D334 HydrophobicContact CD2-CB 4.26Å; Y302-D334 HydrophobicContact CE2-CB 4.19Å; Y302-Q337 VanDerWaalsContact O-CG 3.25Å; Y302-Q337 WeakPolarHBondContact O-CG 3.44Å; Y302-Q337 PolarHBondContact O-NE2 3.08Å; Y302-Q337 VanDerWaalsContact O-NE2 3.08Å
303E98.3Very high98.5Very high66 Ų6632.6 Ų32.631%0.30816%0.156SC..Hα-helixtrans-81.5-6.1-177.2-63.4-67.2167.100113.4R299 H305R299-E303 IonicContact CZ-OE1 3.11Å; R299-E303 IonicContact NE-OE1 3.24Å; R299-E303 IonicContact NH1-OE1 2.7Å; R299-E303 PolarHBondContact NH1-OE1 3.46Å; R299-E303 IonicContact NH2-OE1 2.88Å; R299-E303 PolarHBondContact NH2-OE1 3.23Å; R299-E303 WeakPolarHBondContact O-CG 3.4Å; R299-E303 PolarHBondContact O-N 3.07Å; E303-H305 VanDerWaalsContact CB-CD2 3.46Å; E303-H305 WeakPolarHBondContact CB-CD2 3.45Å; E303-H305 WeakPolarHBondContact CB-NE2 3.13Å
304G98.4Very high98.6Very high18 Ų1835.9 Ų35.919%0.18618%0.177CC..THydrogen-bonded Turntrans84.117.7175.200000114.9A300 Y302 T306 Q337A300-G304 PolarHBondContact O-N 3.33Å; Y302-G304 VanDerWaalsContact C-N 3.29Å; Y302-G304 PolarHBondContact O-N 3.45Å; G304-T306 VanDerWaalsContact C-N 3.31Å; G304-T306 PolarHBondContact O-N 3.13Å; G304-Q337 VanDerWaalsContact CA-CG 3.5Å; G304-Q337 VanDerWaalsContact CA-OE1 3.32Å
305H98.6Very high98.7Very high51 Ų5137 Ų3724%0.23619%0.186CC..  trans-83.472.5-174.4-62.5-45.8000111.5S268 G269 G271 A300 E303 L307 V308 L309S268-H305 PolarHBondContact O-CD2 3.21Å; S268-H305 VanDerWaalsContact O-CD2 3.29Å; G269-H305 PolarHBondContact O-CD2 3.32Å; G269-H305 PolarHBondContact O-NE2 2.93Å; G271-H305 WeakPolarHBondContact CA-CD2 3.42Å; G271-H305 WeakPolarHBondContact CA-ND1 3.22Å; G271-H305 PolarHBondContact N-CD2 3.4Å; G271-H305 PolarHBondContact N-NE2 3.41Å; A300-H305 PolarHBondContact O-N 3.04Å; E303-H305 VanDerWaalsContact CB-CD2 3.46Å; E303-H305 WeakPolarHBondContact CB-CD2 3.45Å; E303-H305 WeakPolarHBondContact CB-NE2 3.13Å; H305-L307 VanDerWaalsContact C-N 3.28Å; H305-L307 PolarHBondContact O-N 2.94Å; H305-L307 VanDerWaalsContact O-N 3.14Å; H305-V308 HydrophobicContact CB-CB 4Å; H305-V308 HydrophobicContact CB-CG2 4.24Å; H305-V308 PolarHBondContact O-N 3.22Å; H305-L309 WeakPolarHBondContact O-CB 3.41Å; H305-L309 PolarHBondContact O-N 2.88Å
306T98.6Very high98.7Very high27 Ų2737.4 Ų37.417%0.16619%0.189CC..Hα-helixtrans-51.5-39.7-173-530000113.9G304 R310 E339 L343G304-T306 VanDerWaalsContact C-N 3.31Å; G304-T306 PolarHBondContact O-N 3.13Å; T306-R310 WeakPolarHBondContact O-CB 3.25Å; T306-R310 PolarHBondContact O-N 3.07Å; T306-E339 HydrophobicContact CG2-CB 4.43Å; T306-E339 WeakPolarHBondContact OG1-CB 3.4Å; T306-E339 PolarHBondContact OG1-OE2 3.32Å; T306-L343 HydrophobicContact CG2-CD2 3.98Å
307L98.7Very high98.7Very high88 Ų8840.6 Ų40.646%0.46121%0.208SC..Hα-helixtrans-69.7-41.5179.3-62.6179.3000112.8L273 H305 T311L273-L307 HydrophobicContact CD2-CB 4.33Å; H305-L307 VanDerWaalsContact C-N 3.28Å; H305-L307 PolarHBondContact O-N 2.94Å; H305-L307 VanDerWaalsContact O-N 3.14Å; L307-T311 PolarHBondContact O-N 3.5Å; L307-T311 PolarHBondContact O-OG1 3.26Å
308V98.9Very high98.6Very high1 Ų149.1 Ų49.11%0.00625%0.245CC..Hα-helixtrans-65.5-47.1174.5170.80000109.4L273 V276 A300 H305 R310 T311 L312L273-V308 HydrophobicContact CB-CG2 4.49Å; L273-V308 HydrophobicContact CD1-CG2 4.41Å; V276-V308 HydrophobicContact CG1-CG1 4.28Å; V276-V308 HydrophobicContact CG2-CG1 3.86Å; V276-V308 HydrophobicContact CG2-CG2 4.08Å; A300-V308 HydrophobicContact CB-CB 4.28Å; A300-V308 HydrophobicContact CB-CG1 3.7Å; H305-V308 HydrophobicContact CB-CB 4Å; H305-V308 HydrophobicContact CB-CG2 4.24Å; H305-V308 PolarHBondContact O-N 3.22Å; V308-R310 VanDerWaalsContact C-N 3.31Å; V308-R310 PolarHBondContact O-N 2.62Å; V308-T311 WeakPolarHBondContact O-CA 3.43Å; V308-T311 WeakPolarHBondContact O-CB 3.23Å; V308-T311 PolarHBondContact O-N 3.43Å; V308-L312 HydrophobicContact CG1-CD1 3.68Å; V308-L312 HydrophobicContact CG1-CG 4.22Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.33Å
309L98.8Very high98.5Very high0 Ų056.9 Ų56.90%027%0.274CS..Hα-helixtrans-55.9-46.2177.4-178.658.3000111.5I297 A300 A301 H305 T311 L312 I313 C340 L343 L344I297-L309 HydrophobicContact CD1-CD1 4.29Å; I297-L309 HydrophobicContact CG1-CD1 3.51Å; A300-L309 HydrophobicContact CB-CB 4.27Å; A301-L309 HydrophobicContact CB-CD1 4.11Å; A301-L309 HydrophobicContact CB-CD2 4.16Å; H305-L309 WeakPolarHBondContact O-CB 3.41Å; H305-L309 PolarHBondContact O-N 2.88Å; L309-T311 PolarHBondContact O-N 3.29Å; L309-L312 PolarHBondContact O-N 3.11Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L309-I313 HydrophobicContact CD1-CG1 4.31Å; L309-I313 HydrophobicContact CG-CD1 4.19Å; L309-I313 HydrophobicContact CG-CG1 4.47Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.35Å; L309-I313 PolarHBondContact O-N 2.92Å; L309-C340 HydrophobicContact CD2-CB 3.55Å; L309-L343 HydrophobicContact CB-CD2 4.29Å; L309-L343 HydrophobicContact CD2-CD2 4.14Å; L309-L343 HydrophobicContact CG-CD2 4.04Å; L309-L344 HydrophobicContact CD1-CD2 4.29Å; L309-L344 HydrophobicContact CD2-CD1 4.3Å; L309-L344 HydrophobicContact CD2-CD2 4.37Å; L309-L344 HydrophobicContact CD2-CG 4.1Å
310R98.8Very high98.5Very high140 Ų14053.8 Ų53.853%0.52827%0.265SS..Hα-helixtrans-58.9-33.4175.9-170.5172.164.9-155.43.1113T306 V308 P314 L343T306-R310 WeakPolarHBondContact O-CB 3.25Å; T306-R310 PolarHBondContact O-N 3.07Å; V308-R310 VanDerWaalsContact C-N 3.31Å; V308-R310 PolarHBondContact O-N 2.62Å; R310-P314 VanDerWaalsContact O-CD 3.23Å; R310-P314 WeakPolarHBondContact O-CD 3.41Å; R310-L343 HydrophobicContact CB-CD2 3.86Å
311T98.7Very high98.5Very high38 Ų3854.8 Ų54.823%0.23327%0.27CS..Hα-helixtrans-76.1-35.8177.3-55.90000111.7L273 L280 L307 V308 L309 P314L273-T311 HydrophobicContact CD1-CG2 4.48Å; L273-T311 WeakPolarHBondContact CD1-OG1 3.49Å; L280-T311 HydrophobicContact CD1-CG2 4.06Å; L307-T311 PolarHBondContact O-N 3.5Å; L307-T311 PolarHBondContact O-OG1 3.26Å; V308-T311 WeakPolarHBondContact O-CA 3.43Å; V308-T311 WeakPolarHBondContact O-CB 3.23Å; V308-T311 PolarHBondContact O-N 3.43Å; L309-T311 PolarHBondContact O-N 3.29Å; T311-P314 WeakPolarHBondContact O-CD 3.36Å; T311-P314 WeakPolarHBondContact O-CG 3.28Å
312L98.8Very high98.4Very high0 Ų061.6 Ų61.60%030%0.296CS..Hα-helixtrans-78.5-35-178.3-68173.5000113.6V276 L280 P286 P296 I297 A300 V308 L309 V315 T316V276-L312 HydrophobicContact CG1-CD2 4.31Å; L280-L312 HydrophobicContact CD1-CD2 4.46Å; P286-L312 HydrophobicContact CB-CD2 4.31Å; P296-L312 HydrophobicContact CB-CD1 4.02Å; P296-L312 HydrophobicContact CB-CD2 4.37Å; I297-L312 HydrophobicContact CB-CB 4.27Å; I297-L312 HydrophobicContact CG1-CB 4.23Å; A300-L312 HydrophobicContact CB-CD1 3.99Å; V308-L312 HydrophobicContact CG1-CD1 3.68Å; V308-L312 HydrophobicContact CG1-CG 4.22Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.33Å; L309-L312 PolarHBondContact O-N 3.11Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L312-V315 HydrophobicContact CD2-CG2 4.28Å; L312-V315 VanDerWaalsContact O-CG2 3.31Å; L312-V315 WeakPolarHBondContact O-CG2 3.38Å; L312-V315 PolarHBondContact O-N 3.17Å; L312-T316 PolarHBondContact O-N 3.3Å; L312-T316 PolarHBondContact O-OG1 2.65Å
313I98.8Very high98.3Very high24 Ų2462.8 Ų62.812%0.12331%0.307CS..THydrogen-bonded Turntrans-45.7-51.9178.5-74.8165.3000113.4I297 L309 V315 L343 L344 N347 F349I297-I313 HydrophobicContact CD1-CG1 4.01Å; L309-I313 HydrophobicContact CD1-CG1 4.31Å; L309-I313 HydrophobicContact CG-CD1 4.19Å; L309-I313 HydrophobicContact CG-CG1 4.47Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.35Å; L309-I313 PolarHBondContact O-N 2.92Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.41Å; I313-L343 HydrophobicContact CD1-CD2 4Å; I313-L343 HydrophobicContact CD1-CG 3.95Å; I313-L344 HydrophobicContact CD1-CD2 4.18Å; I313-L344 HydrophobicContact CG1-CD2 4.4Å; I313-N347 HydrophobicContact CD1-CB 4.41Å; I313-N347 HydrophobicContact CG2-CB 4.27Å; I313-F349 HydrophobicContact CG1-CE2 4.21Å; I313-F349 HydrophobicContact CG1-CZ 4.47Å; I313-F349 HydrophobicContact CG2-CE2 4.25Å
314P98.4Very high98.2Very high103 Ų10359.8 Ų59.867%0.66929%0.294SS*.THydrogen-bonded Turntrans-73.3-20.5-177.727.6-36.1000114.5R310 T311R310-P314 VanDerWaalsContact O-CD 3.23Å; R310-P314 WeakPolarHBondContact O-CD 3.41Å; T311-P314 WeakPolarHBondContact O-CD 3.36Å; T311-P314 WeakPolarHBondContact O-CG 3.28Å
315V98.5Very high98.1Very high61 Ų6159.1 Ų59.137%0.3729%0.287SS..THydrogen-bonded Turntrans-101.9-14.7-175.7-60.80000113.4L280 P286 N287 L312 I313L280-V315 HydrophobicContact CD1-CG2 4.45Å; L280-V315 HydrophobicContact CD2-CG2 4.41Å; P286-V315 HydrophobicContact CB-CG2 4.04Å; P286-V315 HydrophobicContact CG-CB 3.98Å; P286-V315 HydrophobicContact CG-CG2 3.81Å; P286-V315 WeakPolarHBondContact CG-O 3.47Å; N287-V315 PolarHBondContact ND2-O 3.41Å; L312-V315 HydrophobicContact CD2-CG2 4.28Å; L312-V315 VanDerWaalsContact O-CG2 3.31Å; L312-V315 WeakPolarHBondContact O-CG2 3.38Å; L312-V315 PolarHBondContact O-N 3.17Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.41Å
316T98.7Very high98Very high11 Ų1157.4 Ų57.47%0.06728%0.279CS..SBendtrans-87.1122172.2-56.30000110.9L295 I297 L312 I321L295-T316 HydrophobicContact CD1-CG2 4.09Å; I297-T316 HydrophobicContact CB-CG2 4.48Å; I297-T316 HydrophobicContact CG2-CG2 3.98Å; L312-T316 PolarHBondContact O-N 3.3Å; L312-T316 PolarHBondContact O-OG1 2.65Å; T316-I321 HydrophobicContact CG2-CD1 3.91Å; T316-I321 HydrophobicContact CG2-CG1 3.78Å
317T98.4Very high98Very high66 Ų6656.4 Ų56.441%0.40527%0.273SS..  trans-73.9141.9-179.466.60000111.7N287 R319 A320 I321N287-T317 WeakPolarHBondContact OD1-CB 3.46Å; N287-T317 WeakPolarHBondContact OD1-CG2 3.5Å; N287-T317 PolarHBondContact OD1-N 3.14Å; N287-T317 PolarHBondContact OD1-OG1 2.96Å; T317-R319 PolarHBondContact O-N 3.03Å; T317-R319 VanDerWaalsContact O-N 3.12Å; T317-A320 PolarHBondContact O-N 3.47Å; T317-A320 WeakPolarHBondContact OG1-CB 3.48Å; T317-A320 PolarHBondContact OG1-N 3.14Å; T317-A320 VanDerWaalsContact OG1-N 3.13Å; T317-I321 PolarHBondContact O-N 2.88Å
318K97.3Very high98Very high180 Ų18052.2 Ų52.278%0.78325%0.251SS*.Hα-helixtrans-56.6-27.9171.1-63.3-173.8179.1-1740112.8R322K318-R322 WeakPolarHBondContact O-CB 3.18Å; K318-R322 PolarHBondContact O-N 3.45Å; K318-R322 VanDerWaalsContact O-N 3.11Å
319R97.9Very high97.9Very high162 Ų16252.2 Ų52.261%0.61125%0.251SS*.Hα-helixtrans-66.4-46.1174.5176.3176170.6100.75111.2T317 R322 L323T317-R319 PolarHBondContact O-N 3.03Å; T317-R319 VanDerWaalsContact O-N 3.12Å; R319-R322 PolarHBondContact O-N 3.2Å; R319-L323 HydrophobicContact CG-CD1 3.91Å; R319-L323 HydrophobicContact CG-CG 4.4Å; R319-L323 WeakPolarHBondContact O-CG 3.47Å; R319-L323 PolarHBondContact O-N 3.45Å
320A98.3Very high97.9Very high10 Ų1052.3 Ų52.38%0.08325%0.251CS..Hα-helixtrans-60.9-48.2178.100000111.2N287 L295 T317 R322 L323 S324N287-A320 HydrophobicContact CB-CB 3.82Å; N287-A320 WeakPolarHBondContact OD1-CB 3.48Å; L295-A320 HydrophobicContact CD1-CB 3.94Å; L295-A320 HydrophobicContact CD2-CB 4.38Å; T317-A320 PolarHBondContact O-N 3.47Å; T317-A320 WeakPolarHBondContact OG1-CB 3.48Å; T317-A320 PolarHBondContact OG1-N 3.14Å; T317-A320 VanDerWaalsContact OG1-N 3.13Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 2.87Å; A320-L323 PolarHBondContact O-N 3.18Å; A320-L323 VanDerWaalsContact O-N 3.08Å; A320-S324 PolarHBondContact O-N 3.18Å; A320-S324 PolarHBondContact O-OG 3.01Å
321I98.1Very high97.9Very high22 Ų2246 Ų4611%0.11323%0.229CC..Hα-helixtrans-57.8-42.5178.1-65.3158.8000111.5L295 I297 T316 T317 S324 F349L295-I321 HydrophobicContact CD1-CG1 4.11Å; I297-I321 HydrophobicContact CG2-CG1 4.5Å; T316-I321 HydrophobicContact CG2-CD1 3.91Å; T316-I321 HydrophobicContact CG2-CG1 3.78Å; T317-I321 PolarHBondContact O-N 2.88Å; I321-S324 VanDerWaalsContact C-OG 3.24Å; I321-S324 VanDerWaalsContact CA-OG 3.31Å; I321-S324 WeakPolarHBondContact CA-OG 3.31Å; I321-S324 PolarHBondContact O-N 2.96Å; I321-S324 PolarHBondContact O-OG 3.31Å; I321-F349 HydrophobicContact CD1-CE1 3.98Å; I321-F349 HydrophobicContact CD1-CZ 4.35Å
322R96.4Very high97.9Very high143 Ų14344.2 Ų44.254%0.5422%0.218SC..Hα-helixtrans-65.1-42176.2-174.6179.962.7-99.51.6112.3K318 R319 A320 S324 G325K318-R322 WeakPolarHBondContact O-CB 3.18Å; K318-R322 PolarHBondContact O-N 3.45Å; K318-R322 VanDerWaalsContact O-N 3.11Å; R319-R322 PolarHBondContact O-N 3.2Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 2.87Å; R322-S324 VanDerWaalsContact C-N 3.29Å; R322-S324 PolarHBondContact O-N 3.33Å; R322-G325 PolarHBondContact O-N 2.86Å; R322-G325 VanDerWaalsContact O-N 3.12Å
323L96.9Very high97.9Very high108 Ų10844.2 Ų44.257%0.56522%0.218SC*.Hα-helixtrans-71-23.4-179.1-70174.7000113.1R319 A320 G325R319-L323 HydrophobicContact CG-CD1 3.91Å; R319-L323 HydrophobicContact CG-CG 4.4Å; R319-L323 WeakPolarHBondContact O-CG 3.47Å; R319-L323 PolarHBondContact O-N 3.45Å; A320-L323 PolarHBondContact O-N 3.18Å; A320-L323 VanDerWaalsContact O-N 3.08Å; L323-G325 PolarHBondContact O-N 3.01Å
324S96.7Very high97.9Very high3 Ų345.1 Ų45.12%0.02122%0.223CC..THydrogen-bonded Turntrans-70.1-13169.235.60000114C293 H298 A320 I321 R322 Q326C293-S324 WeakPolarHBondContact CB-O 3.32Å; C293-S324 WeakPolarHBondContact O-CB 3.41Å; H298-S324 PolarHBondContact CE1-OG 2.94Å; A320-S324 PolarHBondContact O-N 3.18Å; A320-S324 PolarHBondContact O-OG 3.01Å; I321-S324 VanDerWaalsContact C-OG 3.24Å; I321-S324 VanDerWaalsContact CA-OG 3.31Å; I321-S324 WeakPolarHBondContact CA-OG 3.31Å; I321-S324 PolarHBondContact O-N 2.96Å; I321-S324 PolarHBondContact O-OG 3.31Å; R322-S324 VanDerWaalsContact C-N 3.29Å; R322-S324 PolarHBondContact O-N 3.33Å; S324-Q326 PolarHBondContact O-N 3.02Å
325G96.2Very high97.9Very high4 Ų441.4 Ų41.44%0.04120%0.203CC..THydrogen-bonded Turntrans70.29.8-179.800000115.2R322 L323 L355 D356R322-G325 PolarHBondContact O-N 2.86Å; R322-G325 VanDerWaalsContact O-N 3.12Å; L323-G325 PolarHBondContact O-N 3.01Å; G325-L355 WeakPolarHBondContact O-CA 3.5Å; G325-D356 VanDerWaalsContact CA-CG 3.43Å; G325-D356 WeakPolarHBondContact CA-OD2 3.45Å; G325-D356 PolarHBondContact O-N 2.84Å
326Q96Very high97.8Very high14 Ų1439.7 Ų39.77%0.06520%0.198CC..SBendtrans-147.7150.8175.755.2158.844.700111.2H298 S324 L355H298-Q326 PolarHBondContact CD2-NE2 2.92Å; H298-Q326 PolarHBondContact CE1-O 3.29Å; H298-Q326 PolarHBondContact ND1-NE2 2.96Å; H298-Q326 PolarHBondContact NE2-NE2 2.75Å; H298-Q326 PolarHBondContact NE2-O 3.39Å; S324-Q326 PolarHBondContact O-N 3.02Å; Q326-L355 HydrophobicContact CB-CD2 3.42Å; Q326-L355 VanDerWaalsContact CB-CD2 3.42Å
327S98.2Very high97.8Very high7 Ų741.9 Ų41.95%0.04921%0.207CC..  trans-95.1148.3172.4170.40000111.6V329 H330S327-V329 PolarHBondContact O-N 2.95Å; S327-V329 VanDerWaalsContact O-N 3.08Å; S327-V329 PolarHBondContact OG-N 3.41Å; S327-H330 PolarHBondContact N-ND1 3.18Å; S327-H330 VanDerWaalsContact N-ND1 3.13Å; S327-H330 WeakPolarHBondContact O-CB 3.49Å; S327-H330 PolarHBondContact O-N 3.28Å; S327-H330 PolarHBondContact O-ND1 3.28Å; S327-H330 VanDerWaalsContact O-ND1 3.11Å
328P98.6Very high97.8Very high0 Ų040.9 Ų40.90%020%0.201CC..Hα-helixtrans-59.3-17172.326.2-36.6000114.2I297 A301 H330 S331 A332 L344 F349I297-P328 HydrophobicContact CD1-CG 4.19Å; I297-P328 HydrophobicContact CG1-CB 4.26Å; I297-P328 HydrophobicContact CG1-CG 4.42Å; A301-P328 HydrophobicContact CB-CB 4.05Å; P328-H330 VanDerWaalsContact C-N 3.31Å; P328-S331 PolarHBondContact O-N 2.99Å; P328-A332 PolarHBondContact O-N 3.48Å; P328-L344 HydrophobicContact CB-CD1 4.04Å; P328-L344 HydrophobicContact CB-CD2 4.06Å; P328-L344 HydrophobicContact CG-CD1 4.42Å; P328-L344 HydrophobicContact CG-CD2 3.79Å; P328-L344 WeakPolarHBondContact O-CD1 3.43Å; P328-F349 HydrophobicContact CG-CD1 3.69Å; P328-F349 HydrophobicContact CG-CE1 3.29Å; P328-F349 HydrophobicContact CG-CZ 3.98Å
329V98.7Very high97.9Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-65.3-35.1171.8-173.60000111.2S327 A333 L341 L344 F349 I351 P370 L386S327-V329 PolarHBondContact O-N 2.95Å; S327-V329 VanDerWaalsContact O-N 3.08Å; S327-V329 PolarHBondContact OG-N 3.41Å; V329-A333 VanDerWaalsContact O-CB 3.32Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 3.25Å; V329-L341 HydrophobicContact CG1-CD2 3.78Å; V329-L344 HydrophobicContact CG2-CB 4.06Å; V329-L344 HydrophobicContact CG2-CD1 4.15Å; V329-F349 HydrophobicContact CG2-CB 3.55Å; V329-F349 HydrophobicContact CG2-CD1 4.46Å; V329-F349 HydrophobicContact CG2-CG 4.29Å; V329-I351 HydrophobicContact CG1-CG2 4.42Å; V329-P370 HydrophobicContact CB-CG 4.12Å; V329-P370 HydrophobicContact CG1-CB 3.79Å; V329-P370 HydrophobicContact CG1-CG 3.74Å; V329-L386 HydrophobicContact CG1-CD2 4.01Å
330H98.6Very high97.9Very high3 Ų330.6 Ų30.61%0.01416%0.163CC..Hα-helixtrans-63.8-45.8172.3-57.197.7000110.6S327 P328 A332 A333 D334 T353 K368 F373S327-H330 PolarHBondContact N-ND1 3.18Å; S327-H330 VanDerWaalsContact N-ND1 3.13Å; S327-H330 WeakPolarHBondContact O-CB 3.49Å; S327-H330 PolarHBondContact O-N 3.28Å; S327-H330 PolarHBondContact O-ND1 3.28Å; S327-H330 VanDerWaalsContact O-ND1 3.11Å; P328-H330 VanDerWaalsContact C-N 3.31Å; H330-A332 PolarHBondContact O-N 3.04Å; H330-A333 PolarHBondContact O-N 3.04Å; H330-D334 WeakPolarHBondContact O-CB 3.21Å; H330-D334 PolarHBondContact O-N 3.48Å; H330-T353 PolarHBondContact NE2-O 3.25Å; H330-K368 PolarHBondContact NE2-O 2.96Å; H330-F373 HydrophobicContact CB-CE2 4.39Å
331S98.6Very high98Very high7 Ų730.1 Ų30.15%0.04916%0.159CC..Hα-helixtrans-61.7-44.4-179.4-54.80000111.9H298 Y302 P328 D334 G335H298-S331 PolarHBondContact CD2-OG 2.68Å; H298-S331 VanDerWaalsContact O-CB 3.32Å; H298-S331 WeakPolarHBondContact O-CB 3.46Å; Y302-S331 WeakPolarHBondContact CA-O 3.05Å; P328-S331 PolarHBondContact O-N 2.99Å; S331-D334 PolarHBondContact O-N 3.38Å; S331-G335 PolarHBondContact O-N 2.91Å
332A98.8Very high98Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-65.3-39.1175.700000112.5A301 P328 H330 G336 Q337 C340 L341 L344A301-A332 HydrophobicContact CB-CB 4.22Å; A301-A332 WeakPolarHBondContact O-CA 3.4Å; P328-A332 PolarHBondContact O-N 3.48Å; H330-A332 PolarHBondContact O-N 3.04Å; A332-G336 PolarHBondContact O-N 3.49Å; A332-G336 VanDerWaalsContact O-N 3.1Å; A332-Q337 HydrophobicContact CB-CB 4.46Å; A332-Q337 PolarHBondContact O-N 3.44Å; A332-C340 HydrophobicContact CB-CB 3.93Å; A332-L341 HydrophobicContact CB-CD2 3.73Å; A332-L341 HydrophobicContact CB-CG 3.81Å; A332-L344 HydrophobicContact CB-CD1 4Å
333A98.6Very high98.1Very high0 Ų027.5 Ų27.50%015%0.153CC..Hα-helixtrans-68.6-37.5175.700000112.7V329 H330 G336 L341 P370 F373 L386V329-A333 VanDerWaalsContact O-CB 3.32Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 3.25Å; H330-A333 PolarHBondContact O-N 3.04Å; A333-G336 PolarHBondContact O-N 2.74Å; A333-L341 HydrophobicContact CB-CD2 4.35Å; A333-P370 HydrophobicContact CB-CB 4Å; A333-P370 WeakPolarHBondContact CB-O 3.28Å; A333-F373 HydrophobicContact CB-CB 4.25Å; A333-L386 HydrophobicContact CB-CD1 4.08Å
334D98Very high98.2Very high44 Ų4422.4 Ų22.424%0.23513%0.126CC..Hα-helixtrans-69.3-40177-167.526.5000111.6Y302 H330 S331 G336 F373 N377Y302-D334 HydrophobicContact CD2-CB 4.26Å; Y302-D334 HydrophobicContact CE2-CB 4.19Å; H330-D334 WeakPolarHBondContact O-CB 3.21Å; H330-D334 PolarHBondContact O-N 3.48Å; S331-D334 PolarHBondContact O-N 3.38Å; D334-G336 VanDerWaalsContact C-N 3.28Å; D334-G336 PolarHBondContact O-N 3.36Å; D334-F373 HydrophobicContact CB-CB 4.32Å; D334-F373 HydrophobicContact CB-CD1 3.64Å; D334-F373 HydrophobicContact CB-CE1 4.23Å; D334-F373 HydrophobicContact CB-CG 4.19Å; D334-F373 WeakPolarHBondContact OD1-CD1 3.36Å; D334-N377 PolarHBondContact O-ND2 3.01Å; D334-N377 PolarHBondContact OD1-ND2 3.44Å
335G97.8Very high98.3Very high24 Ų2424.7 Ų24.725%0.24714%0.138CC..THydrogen-bonded Turntrans-76.1-7.6175.400000115.1S331 Q337S331-G335 PolarHBondContact O-N 2.91Å; G335-Q337 PolarHBondContact O-NE2 3.4Å
336G98.2Very high98.4Very high26 Ų2631.6 Ų31.627%0.26817%0.169SC..THydrogen-bonded Turntrans68.629.6-176.300000114.3A332 A333 D334 T338 D379A332-G336 PolarHBondContact O-N 3.49Å; A332-G336 VanDerWaalsContact O-N 3.1Å; A333-G336 PolarHBondContact O-N 2.74Å; D334-G336 VanDerWaalsContact C-N 3.28Å; D334-G336 PolarHBondContact O-N 3.36Å; G336-T338 PolarHBondContact O-N 3.42Å; G336-D379 VanDerWaalsContact CA-OD2 3.24Å; G336-D379 WeakPolarHBondContact CA-OD2 3.41Å
337Q98.4Very high98.5Very high57 Ų5735 Ų3527%0.26619%0.187SC..  trans-96.487.9-168.8-54-62.2-8.400111.9A301 Y302 G304 A332 G335 E339 C340 L341A301-Q337 WeakPolarHBondContact O-CG 2.93Å; Y302-Q337 VanDerWaalsContact O-CG 3.25Å; Y302-Q337 WeakPolarHBondContact O-CG 3.44Å; Y302-Q337 PolarHBondContact O-NE2 3.08Å; Y302-Q337 VanDerWaalsContact O-NE2 3.08Å; G304-Q337 VanDerWaalsContact CA-CG 3.5Å; G304-Q337 VanDerWaalsContact CA-OE1 3.32Å; A332-Q337 HydrophobicContact CB-CB 4.46Å; A332-Q337 PolarHBondContact O-N 3.44Å; G335-Q337 PolarHBondContact O-NE2 3.4Å; Q337-E339 PolarHBondContact O-N 3.07Å; Q337-C340 HydrophobicContact CB-CB 3.84Å; Q337-C340 PolarHBondContact O-N 3.44Å; Q337-L341 PolarHBondContact O-N 3.31Å
338T98.4Very high98.5Very high45 Ų4537.8 Ų37.828%0.27622%0.218SC..Hα-helixtrans-61.3-44-174.756.50000113.5G336 C340 L341 Q342 T381 I385G336-T338 PolarHBondContact O-N 3.42Å; T338-C340 PolarHBondContact O-N 2.92Å; T338-L341 WeakPolarHBondContact O-CB 3.41Å; T338-L341 PolarHBondContact O-N 2.97Å; T338-Q342 WeakPolarHBondContact O-CG 3.41Å; T338-Q342 PolarHBondContact O-N 3.48Å; T338-T381 HydrophobicContact CG2-CG2 3.73Å; T338-I385 HydrophobicContact CG2-CD1 3.77Å
339E98.6Very high98.5Very high124 Ų12439.7 Ų39.758%0.57923%0.226SC*.Hα-helixtrans-64.3-40.7177.7-65.9-175.1-178.800112T306 Q337 Q342 L343T306-E339 HydrophobicContact CG2-CB 4.43Å; T306-E339 WeakPolarHBondContact OG1-CB 3.4Å; T306-E339 PolarHBondContact OG1-OE2 3.32Å; Q337-E339 PolarHBondContact O-N 3.07Å; E339-Q342 PolarHBondContact O-N 3.16Å; E339-L343 WeakPolarHBondContact O-CB 3.38Å; E339-L343 PolarHBondContact O-N 3.18Å
340C98.8Very high98.4Very high1 Ų144.3 Ų44.31%0.00725%0.251CS..Hα-helixtrans-64.7-42175.1-69.20000111.5L309 A332 Q337 T338 L343 L344L309-C340 HydrophobicContact CD2-CB 3.55Å; A332-C340 HydrophobicContact CB-CB 3.93Å; Q337-C340 HydrophobicContact CB-CB 3.84Å; Q337-C340 PolarHBondContact O-N 3.44Å; T338-C340 PolarHBondContact O-N 2.92Å; C340-L343 PolarHBondContact O-N 2.84Å; C340-L344 WeakPolarHBondContact O-CB 3.49Å; C340-L344 WeakPolarHBondContact O-CG 3.26Å; C340-L344 PolarHBondContact O-N 3.34Å
341L98.6Very high98.4Very high0 Ų044.9 Ų44.90%025%0.254CS..Hα-helixtrans-58.5-50.2174.1-78.2176.1000111.4V329 A332 A333 Q337 T338 L343 L344 I345 C382 I385 L386V329-L341 HydrophobicContact CG1-CD2 3.78Å; A332-L341 HydrophobicContact CB-CD2 3.73Å; A332-L341 HydrophobicContact CB-CG 3.81Å; A333-L341 HydrophobicContact CB-CD2 4.35Å; Q337-L341 PolarHBondContact O-N 3.31Å; T338-L341 WeakPolarHBondContact O-CB 3.41Å; T338-L341 PolarHBondContact O-N 2.97Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 3.47Å; L341-L344 PolarHBondContact O-N 3.01Å; L341-I345 WeakPolarHBondContact O-CB 3.45Å; L341-I345 WeakPolarHBondContact O-CD1 3.4Å; L341-I345 VanDerWaalsContact O-CG1 3.23Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 3.22Å; L341-C382 HydrophobicContact CD1-CB 3.71Å; L341-C382 VanDerWaalsContact CD1-SG 3.54Å; L341-I385 HydrophobicContact CB-CG2 4.3Å; L341-L386 HydrophobicContact CD1-CG 4.36Å; L341-L386 HydrophobicContact CD2-CD2 4.08Å
342Q98.7Very high98.4Very high92 Ų9246.3 Ų46.343%0.4326%0.261SS..Hα-helixtrans-59-44.2178.5-72.1176.8-3.600111.7T338 E339 L344 I345 Q346 I385T338-Q342 WeakPolarHBondContact O-CG 3.41Å; T338-Q342 PolarHBondContact O-N 3.48Å; E339-Q342 PolarHBondContact O-N 3.16Å; Q342-L344 PolarHBondContact O-N 3.08Å; Q342-I345 PolarHBondContact O-N 3.32Å; Q342-Q346 WeakPolarHBondContact O-CB 3.13Å; Q342-Q346 WeakPolarHBondContact O-CG 3.5Å; Q342-Q346 PolarHBondContact O-N 3.39Å; Q342-I385 HydrophobicContact CG-CD1 4.44Å; Q342-I385 HydrophobicContact CG-CG2 4.33Å
343L98.8Very high98.3Very high19 Ų1948.1 Ų48.110%0.09927%0.272CS..Hα-helixtrans-61-44.4176.7179.765.6000111.7T306 L309 R310 I313 E339 C340 L341 Q346 N347T306-L343 HydrophobicContact CG2-CD2 3.98Å; L309-L343 HydrophobicContact CB-CD2 4.29Å; L309-L343 HydrophobicContact CD2-CD2 4.14Å; L309-L343 HydrophobicContact CG-CD2 4.04Å; R310-L343 HydrophobicContact CB-CD2 3.86Å; I313-L343 HydrophobicContact CD1-CD2 4Å; I313-L343 HydrophobicContact CD1-CG 3.95Å; E339-L343 WeakPolarHBondContact O-CB 3.38Å; E339-L343 PolarHBondContact O-N 3.18Å; C340-L343 PolarHBondContact O-N 2.84Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 3.47Å; L343-Q346 PolarHBondContact O-N 2.82Å; L343-N347 WeakPolarHBondContact CD1-ND2 3.29Å; L343-N347 PolarHBondContact O-N 3.06Å; L343-N347 PolarHBondContact O-ND2 3.02Å
344L98.8Very high98.2Very high0 Ų052.2 Ų52.20%029%0.291CS..Hα-helixtrans-65.7-42178.6-70.5167.1000111.7A301 L309 I313 P328 V329 A332 C340 L341 Q342 N347 G348 F349A301-L344 HydrophobicContact CB-CD1 4.45Å; L309-L344 HydrophobicContact CD1-CD2 4.29Å; L309-L344 HydrophobicContact CD2-CD1 4.3Å; L309-L344 HydrophobicContact CD2-CD2 4.37Å; L309-L344 HydrophobicContact CD2-CG 4.1Å; I313-L344 HydrophobicContact CD1-CD2 4.18Å; I313-L344 HydrophobicContact CG1-CD2 4.4Å; P328-L344 HydrophobicContact CB-CD1 4.04Å; P328-L344 HydrophobicContact CB-CD2 4.06Å; P328-L344 HydrophobicContact CG-CD1 4.42Å; P328-L344 HydrophobicContact CG-CD2 3.79Å; P328-L344 WeakPolarHBondContact O-CD1 3.43Å; V329-L344 HydrophobicContact CG2-CB 4.06Å; V329-L344 HydrophobicContact CG2-CD1 4.15Å; A332-L344 HydrophobicContact CB-CD1 4Å; C340-L344 WeakPolarHBondContact O-CB 3.49Å; C340-L344 WeakPolarHBondContact O-CG 3.26Å; C340-L344 PolarHBondContact O-N 3.34Å; L341-L344 PolarHBondContact O-N 3.01Å; Q342-L344 PolarHBondContact O-N 3.08Å; L344-N347 CarbonylContact O-C 3.49Å; L344-N347 PolarHBondContact O-N 3.08Å; L344-G348 PolarHBondContact O-N 3.37Å; L344-F349 HydrophobicContact CB-CB 4.29Å; L344-F349 HydrophobicContact CB-CD2 4.18Å; L344-F349 HydrophobicContact CB-CG 4.32Å; L344-F349 HydrophobicContact CD2-CD1 4.28Å; L344-F349 HydrophobicContact CD2-CD2 3.69Å; L344-F349 HydrophobicContact CD2-CE1 4.23Å; L344-F349 HydrophobicContact CD2-CE2 3.63Å; L344-F349 HydrophobicContact CD2-CG 4.01Å; L344-F349 HydrophobicContact CD2-CZ 3.92Å; L344-F349 WeakPolarHBondContact O-CD2 3.44Å; L344-F349 PolarHBondContact O-N 3.02Å; L344-F349 VanDerWaalsContact O-N 3.13Å
345I98.5Very high98.1Very high51 Ų5150.5 Ų50.526%0.26228%0.282SS..Hα-helixtrans-60.9-47.2175.6-68.7160.6000110.3L341 Q342 N347 G348 I351 I385 A389L341-I345 WeakPolarHBondContact O-CB 3.45Å; L341-I345 WeakPolarHBondContact O-CD1 3.4Å; L341-I345 VanDerWaalsContact O-CG1 3.23Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 3.22Å; Q342-I345 PolarHBondContact O-N 3.32Å; I345-N347 PolarHBondContact O-N 3.45Å; I345-G348 PolarHBondContact O-N 2.88Å; I345-I351 HydrophobicContact CD1-CG2 4.24Å; I345-I351 HydrophobicContact CG1-CG2 3.7Å; I345-I385 HydrophobicContact CD1-CG2 3.75Å; I345-A389 HydrophobicContact CD1-CB 3.78Å; I345-A389 HydrophobicContact CG1-CB 4.24Å; I345-A389 HydrophobicContact CG2-CB 4.19Å
346Q98.4Very high98Very high150 Ų15052.8 Ų52.870%0.70129%0.288SS*.Hα-helixtrans-60.9-29.6176.9-7216812.300112.9Q342 L343 G348Q342-Q346 WeakPolarHBondContact O-CB 3.13Å; Q342-Q346 WeakPolarHBondContact O-CG 3.5Å; Q342-Q346 PolarHBondContact O-N 3.39Å; L343-Q346 PolarHBondContact O-N 2.82Å; Q346-G348 VanDerWaalsContact C-N 3.3Å
347N98.4Very high97.8Very high84 Ų8458.6 Ų58.645%0.44931%0.306SS..THydrogen-bonded Turntrans-88.39.1176-77.2-88.6000113.6I313 L343 L344 I345 F349I313-N347 HydrophobicContact CD1-CB 4.41Å; I313-N347 HydrophobicContact CG2-CB 4.27Å; L343-N347 WeakPolarHBondContact CD1-ND2 3.29Å; L343-N347 PolarHBondContact O-N 3.06Å; L343-N347 PolarHBondContact O-ND2 3.02Å; L344-N347 CarbonylContact O-C 3.49Å; L344-N347 PolarHBondContact O-N 3.08Å; I345-N347 PolarHBondContact O-N 3.45Å; N347-F349 HydrophobicContact CB-CD2 4.15Å; N347-F349 HydrophobicContact CB-CE2 4.18Å
348G97.5Very high97.4Very high67 Ų6760.1 Ų60.169%0.69131%0.313SS*.THydrogen-bonded Turntrans75.527171.500000114.8L344 I345 Q346L344-G348 PolarHBondContact O-N 3.37Å; I345-G348 PolarHBondContact O-N 2.88Å; Q346-G348 VanDerWaalsContact C-N 3.3Å
349F98.4Very high97.2Very high39 Ų3958.7 Ų58.717%0.17130%0.304CS..  trans-70.8136.2168.1-75.7-102.6000110.2I297 I313 I321 P328 V329 L344 N347 I351I297-F349 HydrophobicContact CD1-CZ 4.18Å; I313-F349 HydrophobicContact CG1-CE2 4.21Å; I313-F349 HydrophobicContact CG1-CZ 4.47Å; I313-F349 HydrophobicContact CG2-CE2 4.25Å; I321-F349 HydrophobicContact CD1-CE1 3.98Å; I321-F349 HydrophobicContact CD1-CZ 4.35Å; P328-F349 HydrophobicContact CG-CD1 3.69Å; P328-F349 HydrophobicContact CG-CE1 3.29Å; P328-F349 HydrophobicContact CG-CZ 3.98Å; V329-F349 HydrophobicContact CG2-CB 3.55Å; V329-F349 HydrophobicContact CG2-CD1 4.46Å; V329-F349 HydrophobicContact CG2-CG 4.29Å; L344-F349 HydrophobicContact CB-CB 4.29Å; L344-F349 HydrophobicContact CB-CD2 4.18Å; L344-F349 HydrophobicContact CB-CG 4.32Å; L344-F349 HydrophobicContact CD2-CD1 4.28Å; L344-F349 HydrophobicContact CD2-CD2 3.69Å; L344-F349 HydrophobicContact CD2-CE1 4.23Å; L344-F349 HydrophobicContact CD2-CE2 3.63Å; L344-F349 HydrophobicContact CD2-CG 4.01Å; L344-F349 HydrophobicContact CD2-CZ 3.92Å; L344-F349 WeakPolarHBondContact O-CD2 3.44Å; L344-F349 PolarHBondContact O-N 3.02Å; L344-F349 VanDerWaalsContact O-N 3.13Å; N347-F349 HydrophobicContact CB-CD2 4.15Å; N347-F349 HydrophobicContact CB-CE2 4.18Å; F349-I351 PolarHBondContact O-N 3.33Å
350D97.9Very high96.9Very high98 Ų9852.9 Ų52.952%0.52428%0.277SS..  trans-71.2118.1179.2-178.86.1000110.7N352 T353D350-N352 VanDerWaalsContact C-N 3.26Å; D350-N352 PolarHBondContact O-N 2.96Å; D350-N352 PolarHBondContact OD1-N 3.12Å; D350-T353 WeakPolarHBondContact O-CB 3.23Å; D350-T353 WeakPolarHBondContact O-CG2 3.29Å; D350-T353 PolarHBondContact O-N 2.92Å
351I98Very high96.5Very high14 Ų1458 Ų587%0.07230%0.301CS..THydrogen-bonded Turntrans-73.5-16.2179.252.154.5000113.5V329 I345 F349 P370 L386 A389 A391V329-I351 HydrophobicContact CG1-CG2 4.42Å; I345-I351 HydrophobicContact CD1-CG2 4.24Å; I345-I351 HydrophobicContact CG1-CG2 3.7Å; F349-I351 PolarHBondContact O-N 3.33Å; I351-P370 WeakPolarHBondContact O-CD 3.38Å; I351-L386 HydrophobicContact CB-CD2 4.29Å; I351-L386 HydrophobicContact CG2-CD2 4.11Å; I351-A389 HydrophobicContact CG1-CB 4.29Å; I351-A389 HydrophobicContact CG2-CB 4.16Å; I351-A391 HydrophobicContact CD1-CB 4.33Å
352N98Very high96.1Very high38 Ų3863.9 Ų63.920%0.20333%0.332CS..THydrogen-bonded Turntrans-102.57.3-179.7-76.3-47.6000112.3D350 Q354 G390 A391 R392 L395D350-N352 VanDerWaalsContact C-N 3.26Å; D350-N352 PolarHBondContact O-N 2.96Å; D350-N352 PolarHBondContact OD1-N 3.12Å; N352-Q354 PolarHBondContact O-N 3.44Å; N352-G390 PolarHBondContact ND2-O 3.46Å; N352-G390 VanDerWaalsContact ND2-O 3.17Å; N352-A391 WeakPolarHBondContact OD1-CA 3.28Å; N352-R392 WeakPolarHBondContact OD1-CB 3.31Å; N352-R392 PolarHBondContact OD1-N 2.86Å; N352-L395 HydrophobicContact CB-CD1 3.77Å; N352-L395 WeakPolarHBondContact OD1-CD1 3.49Å
353T96.9Very high95.6Very high38 Ų3862.4 Ų62.423%0.23332%0.323CS..  trans-54.5139.4172.9-172.70000110.2H330 D350 P370H330-T353 PolarHBondContact NE2-O 3.25Å; D350-T353 WeakPolarHBondContact O-CB 3.23Å; D350-T353 WeakPolarHBondContact O-CG2 3.29Å; D350-T353 PolarHBondContact O-N 2.92Å; T353-P370 HydrophobicContact CG2-CG 4.32Å; T353-P370 WeakPolarHBondContact O-CD 3.39Å
354Q97.4Very high95Very high85 Ų8565.9 Ų65.940%0.39736%0.364SS..  trans-106.6145.8179.8-62.3-174.2-65.800109.5N352 K368 T369 L395N352-Q354 PolarHBondContact O-N 3.44Å; Q354-K368 CarbonylContact C-O 3.51Å; Q354-K368 WeakPolarHBondContact CA-O 3.27Å; Q354-K368 HydrophobicContact CB-CB 4.19Å; Q354-K368 HydrophobicContact CG-CB 4.41Å; Q354-T369 HydrophobicContact CG-CG2 4.43Å; Q354-L395 PolarHBondContact NE2-O 3.37Å; Q354-L395 VanDerWaalsContact NE2-O 3.15Å
355L96.6Very high94.3Very high9 Ų967.8 Ų67.85%0.04737%0.374CS..  trans-57142.2165.6-67.8179.7000110.8G325 Q326 I359 Y363 K368 F373G325-L355 WeakPolarHBondContact O-CA 3.5Å; Q326-L355 HydrophobicContact CB-CD2 3.42Å; Q326-L355 VanDerWaalsContact CB-CD2 3.42Å; L355-I359 HydrophobicContact CB-CB 4.48Å; L355-I359 HydrophobicContact CD1-CG2 4.11Å; L355-I359 HydrophobicContact CD2-CG2 4.06Å; L355-I359 HydrophobicContact CG-CG2 4.5Å; L355-Y363 HydrophobicContact CD1-CD2 4.4Å; L355-Y363 HydrophobicContact CD1-CE2 4.05Å; L355-K368 PolarHBondContact N-O 3.3Å; L355-F373 HydrophobicContact CD1-CE2 3.84Å; L355-F373 HydrophobicContact CD1-CZ 3.92Å
356D95.3Very high93.7Very high71 Ų7169.1 Ų69.138%0.3838%0.381SS..  trans-62.7151.4168.7-85.72.7000110.4G325 H358 I359 S360G325-D356 VanDerWaalsContact CA-CG 3.43Å; G325-D356 WeakPolarHBondContact CA-OD2 3.45Å; G325-D356 PolarHBondContact O-N 2.84Å; D356-H358 VanDerWaalsContact C-N 3.32Å; D356-H358 VanDerWaalsContact CB-CE1 3.46Å; D356-H358 WeakPolarHBondContact CB-CE1 3.31Å; D356-H358 PolarHBondContact O-N 2.71Å; D356-H358 IonicContact OD2-CE1 3.97Å; D356-I359 PolarHBondContact O-N 2.81Å; D356-S360 PolarHBondContact O-N 2.9Å; D356-S360 PolarHBondContact O-OG 3.44Å
357K92.9Very high93.4Very high148 Ų14863.3 Ų63.364%0.64335%0.352SS*.Hα-helixtrans-50.8-50.4-174.6-176.2177.8170.6-1740112.4I359 S360 E361K357-I359 PolarHBondContact O-N 3.07Å; K357-S360 WeakPolarHBondContact CA-OG 3.09Å; K357-S360 PolarHBondContact O-N 2.85Å; K357-S360 PolarHBondContact O-OG 3.01Å; K357-E361 WeakPolarHBondContact CE-OE1 3.28Å; K357-E361 HydrophobicContact CG-CG 4.28Å; K357-E361 IonicContact NZ-OE1 3.99Å; K357-E361 WeakPolarHBondContact O-CB 3.16Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.39Å; K357-E361 PolarHBondContact O-N 3.49Å
358H90.8Very high93.3Very high90 Ų9062.1 Ų62.142%0.41734%0.344SS..Hα-helixtrans-63-23.9-178.870-81.8000114D356 N362D356-H358 VanDerWaalsContact C-N 3.32Å; D356-H358 VanDerWaalsContact CB-CE1 3.46Å; D356-H358 WeakPolarHBondContact CB-CE1 3.31Å; D356-H358 PolarHBondContact O-N 2.71Å; D356-H358 IonicContact OD2-CE1 3.97Å; H358-N362 PolarHBondContact O-ND2 3.47Å
359I93.5Very high93.3Very high14 Ų1459 Ų597%0.07231%0.311CS..Hα-helixtrans-84.2-47.5172.9-54.3-61.4000109.9C293 L355 D356 K357 E361 N362 Y363C293-I359 HydrophobicContact CB-CD1 3.99Å; L355-I359 HydrophobicContact CB-CB 4.48Å; L355-I359 HydrophobicContact CD1-CG2 4.11Å; L355-I359 HydrophobicContact CD2-CG2 4.06Å; L355-I359 HydrophobicContact CG-CG2 4.5Å; D356-I359 PolarHBondContact O-N 2.81Å; K357-I359 PolarHBondContact O-N 3.07Å; I359-E361 PolarHBondContact O-N 3.09Å; I359-N362 WeakPolarHBondContact O-CB 3.5Å; I359-N362 PolarHBondContact O-N 3.37Å; I359-N362 VanDerWaalsContact O-N 3.09Å; I359-Y363 HydrophobicContact CG2-CE2 4.44Å
360S92.7Very high93.3Very high3 Ų357.1 Ų57.12%0.02130%0.303CS..Hα-helixtrans-61.2-31.3-178.567.40000113.1D356 K357 N362 Y363 R367D356-S360 PolarHBondContact O-N 2.9Å; D356-S360 PolarHBondContact O-OG 3.44Å; K357-S360 WeakPolarHBondContact CA-OG 3.09Å; K357-S360 PolarHBondContact O-N 2.85Å; K357-S360 PolarHBondContact O-OG 3.01Å; S360-N362 PolarHBondContact O-N 3.41Å; S360-Y363 PolarHBondContact O-N 2.94Å; S360-Y363 VanDerWaalsContact O-N 3.14Å; S360-R367 WeakPolarHBondContact CB-O 3.41Å
361E90.8Very high93.4Very high108 Ų10852.5 Ų52.551%0.50528%0.278SS..THydrogen-bonded Turntrans-69.7-19.5178.1-75.4174.7158.600113.4K357 I359 Y363 L366K357-E361 WeakPolarHBondContact CE-OE1 3.28Å; K357-E361 HydrophobicContact CG-CG 4.28Å; K357-E361 IonicContact NZ-OE1 3.99Å; K357-E361 WeakPolarHBondContact O-CB 3.16Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.39Å; K357-E361 PolarHBondContact O-N 3.49Å; I359-E361 PolarHBondContact O-N 3.09Å; E361-Y363 PolarHBondContact O-N 2.95Å; E361-L366 HydrophobicContact CG-CD2 4.32Å
362N89.8Confident93.4Very high123 Ų12351.9 Ų51.966%0.65828%0.275SS*.THydrogen-bonded Turntrans-72.2-15.5172.9-62.1-33.9000112.3H358 I359 S360H358-N362 PolarHBondContact O-ND2 3.47Å; I359-N362 WeakPolarHBondContact O-CB 3.5Å; I359-N362 PolarHBondContact O-N 3.37Å; I359-N362 VanDerWaalsContact O-N 3.09Å; S360-N362 PolarHBondContact O-N 3.41Å
363Y88.9Confident93.4Very high62 Ų6250.3 Ų50.324%0.24327%0.266CS..SBendtrans-96.6124.4173.5-63.5-87.5000110L355 I359 S360 E361 D365 L366 R367 F373L355-Y363 HydrophobicContact CD1-CD2 4.4Å; L355-Y363 HydrophobicContact CD1-CE2 4.05Å; I359-Y363 HydrophobicContact CG2-CE2 4.44Å; S360-Y363 PolarHBondContact O-N 2.94Å; S360-Y363 VanDerWaalsContact O-N 3.14Å; E361-Y363 PolarHBondContact O-N 2.95Å; Y363-D365 WeakPolarHBondContact CB-OD1 3.44Å; Y363-D365 PolarHBondContact O-N 3.46Å; Y363-L366 PolarHBondContact O-N 2.86Å; Y363-R367 HydrophobicContact CD1-CG 3.97Å; Y363-R367 HydrophobicContact CD2-CG 3.89Å; Y363-R367 HydrophobicContact CE1-CG 4.5Å; Y363-R367 HydrophobicContact CE2-CG 4.42Å; Y363-R367 HydrophobicContact CG-CG 3.63Å; Y363-F373 HydrophobicContact CE1-CE1 4.01Å; Y363-F373 HydrophobicContact CE1-CZ 4.24Å; Y363-F373 HydrophobicContact CE2-CZ 4.09Å; Y363-F373 AromaticContact CZ-CE1 3.85Å; Y363-F373 AromaticContact CZ-CZ 3.75Å
364G84.8Confident93.4Very high92 Ų9248.5 Ų48.595%0.94826%0.255SS*.THydrogen-bonded Turntrans-61.8-15.1179.500000114.7
365D85.6Confident93.5Very high39 Ų3944.5 Ų44.521%0.20924%0.236CC..THydrogen-bonded Turntrans-1012.5175.264.41.3000114.1Y363 R367 Y372Y363-D365 WeakPolarHBondContact CB-OD1 3.44Å; Y363-D365 PolarHBondContact O-N 3.46Å; D365-R367 PolarHBondContact O-N 2.95Å; D365-R367 IonicContact OD1-CZ 2.75Å; D365-R367 PolarHBondContact OD1-N 3.48Å; D365-R367 IonicContact OD1-NE 3.73Å; D365-R367 PolarHBondContact OD1-NE 3.47Å; D365-R367 IonicContact OD1-NH2 3.47Å; D365-R367 IonicContact OD2-CZ 3.88Å; D365-R367 IonicContact OD2-NE 3.01Å; D365-R367 PolarHBondContact OD2-NE 3.25Å; D365-R367 IonicContact OD2-NH2 2.75Å; D365-R367 PolarHBondContact OD2-NH2 3.41Å; D365-Y372 WeakPolarHBondContact CB-OH 3.26Å; D365-Y372 VanDerWaalsContact CG-OH 3.25Å; D365-Y372 WeakPolarHBondContact OD2-CE1 3.47Å; D365-Y372 PolarHBondContact OD2-OH 3.36Å
366L84.8Confident93.4Very high79 Ų7945.3 Ų45.341%0.41424%0.243SC..  trans53.634.3178.7-54.7175.6000113.3E361 Y363 K368E361-L366 HydrophobicContact CG-CD2 4.32Å; Y363-L366 PolarHBondContact O-N 2.86Å; L366-K368 WeakPolarHBondContact O-CG 3.48Å
367R93Very high93.5Very high28 Ų2845.4 Ų45.411%0.10624%0.243CC..  trans-56.3145.717666.9-17664.3-172.7-9.1111.6S360 Y363 D365 Y372 F373 S376S360-R367 WeakPolarHBondContact CB-O 3.41Å; Y363-R367 HydrophobicContact CD1-CG 3.97Å; Y363-R367 HydrophobicContact CD2-CG 3.89Å; Y363-R367 HydrophobicContact CE1-CG 4.5Å; Y363-R367 HydrophobicContact CE2-CG 4.42Å; Y363-R367 HydrophobicContact CG-CG 3.63Å; D365-R367 PolarHBondContact O-N 2.95Å; D365-R367 IonicContact OD1-CZ 2.75Å; D365-R367 PolarHBondContact OD1-N 3.48Å; D365-R367 IonicContact OD1-NE 3.73Å; D365-R367 PolarHBondContact OD1-NE 3.47Å; D365-R367 IonicContact OD1-NH2 3.47Å; D365-R367 IonicContact OD2-CZ 3.88Å; D365-R367 IonicContact OD2-NE 3.01Å; D365-R367 PolarHBondContact OD2-NE 3.25Å; D365-R367 IonicContact OD2-NH2 2.75Å; D365-R367 PolarHBondContact OD2-NH2 3.41Å; R367-Y372 HydrophobicContact CB-CD1 3.23Å; R367-Y372 HydrophobicContact CB-CD2 4.5Å; R367-Y372 HydrophobicContact CB-CE1 3.4Å; R367-Y372 VanDerWaalsContact CB-CE1 3.4Å; R367-Y372 HydrophobicContact CB-CG 3.84Å; R367-Y372 HydrophobicContact CG-CD1 4.3Å; R367-Y372 HydrophobicContact CG-CE1 4.45Å; R367-F373 VanDerWaalsContact CD-CZ 3.4Å; R367-F373 HydrophobicContact CG-CE2 4.09Å; R367-F373 HydrophobicContact CG-CZ 3.94Å; R367-S376 PolarHBondContact NH2-OG 3.26Å
368K96.1Very high93.7Very high60 Ų6039.6 Ų39.626%0.26123%0.226SC..  trans-134-36.6-176.5-64.2-171.6179.4-174.60114.3H330 Q354 L355 L366 D396H330-K368 PolarHBondContact NE2-O 2.96Å; Q354-K368 CarbonylContact C-O 3.51Å; Q354-K368 WeakPolarHBondContact CA-O 3.27Å; Q354-K368 HydrophobicContact CB-CB 4.19Å; Q354-K368 HydrophobicContact CG-CB 4.41Å; L355-K368 PolarHBondContact N-O 3.3Å; L366-K368 WeakPolarHBondContact O-CG 3.48Å; K368-D396 WeakPolarHBondContact CA-OD1 3.34Å; K368-D396 PolarHBondContact N-OD1 3.01Å
369T98Very high94Very high1 Ų137 Ų371%0.00622%0.215CC..SBendtrans-98.8155.1-171.968.50000113.4Q354 L371 Y372 F373 L395 D396Q354-T369 HydrophobicContact CG-CG2 4.43Å; T369-L371 VanDerWaalsContact C-N 3.26Å; T369-L371 PolarHBondContact O-N 3.24Å; T369-Y372 WeakPolarHBondContact O-CB 3.42Å; T369-Y372 PolarHBondContact O-N 2.92Å; T369-Y372 VanDerWaalsContact O-N 3.14Å; T369-Y372 PolarHBondContact OG1-N 3.41Å; T369-Y372 VanDerWaalsContact OG1-N 3.16Å; T369-F373 WeakPolarHBondContact O-CD2 3.27Å; T369-F373 PolarHBondContact O-N 3.39Å; T369-L395 HydrophobicContact CG2-CB 3.56Å; T369-L395 HydrophobicContact CG2-CD1 4.02Å; T369-L395 HydrophobicContact CG2-CG 4.43Å; T369-D396 WeakPolarHBondContact CB-OD2 3.46Å; T369-D396 VanDerWaalsContact CG2-OD2 3.28Å; T369-D396 WeakPolarHBondContact CG2-OD2 3.33Å; T369-D396 PolarHBondContact N-OD1 3.31Å; T369-D396 PolarHBondContact OG1-OD2 3.41Å
370P98.4Very high94.3Very high0 Ų038.9 Ų38.90%023%0.227CC..Hα-helixtrans-57-38.6170.9-24.434000113V329 A333 I351 T353 Y372 F373 A374 L386V329-P370 HydrophobicContact CB-CG 4.12Å; V329-P370 HydrophobicContact CG1-CB 3.79Å; V329-P370 HydrophobicContact CG1-CG 3.74Å; A333-P370 HydrophobicContact CB-CB 4Å; A333-P370 WeakPolarHBondContact CB-O 3.28Å; I351-P370 WeakPolarHBondContact O-CD 3.38Å; T353-P370 HydrophobicContact CG2-CG 4.32Å; T353-P370 WeakPolarHBondContact O-CD 3.39Å; P370-Y372 VanDerWaalsContact C-N 3.26Å; P370-Y372 PolarHBondContact O-N 3.3Å; P370-F373 WeakPolarHBondContact O-CB 3.3Å; P370-F373 PolarHBondContact O-N 3.29Å; P370-F373 VanDerWaalsContact O-N 3.11Å; P370-A374 PolarHBondContact O-N 2.89Å; P370-L386 HydrophobicContact CB-CD1 4.15Å; P370-L386 HydrophobicContact CB-CD2 4.23Å
371L98.6Very high94.5Very high1 Ų142.4 Ų42.41%0.00525%0.249CC..Hα-helixtrans-59.6-39.2177.5179.162.9000111.5T369 F373 A374 V375 A383 L386 L387 A391 T393 L416T369-L371 VanDerWaalsContact C-N 3.26Å; T369-L371 PolarHBondContact O-N 3.24Å; L371-F373 VanDerWaalsContact C-N 3.32Å; L371-F373 PolarHBondContact O-N 2.94Å; L371-A374 PolarHBondContact O-N 3.34Å; L371-V375 HydrophobicContact CD1-CG2 4.14Å; L371-V375 HydrophobicContact CG-CG2 4.36Å; L371-V375 WeakPolarHBondContact O-CB 3.45Å; L371-V375 VanDerWaalsContact O-CG2 3.31Å; L371-V375 WeakPolarHBondContact O-CG2 3.26Å; L371-V375 PolarHBondContact O-N 3.09Å; L371-A383 HydrophobicContact CD1-CB 4.12Å; L371-L386 HydrophobicContact CB-CD1 4.47Å; L371-L386 HydrophobicContact CD1-CB 4.29Å; L371-L387 HydrophobicContact CD1-CD1 4.46Å; L371-L387 HydrophobicContact CD1-CD2 4.18Å; L371-L387 HydrophobicContact CD1-CG 3.97Å; L371-L387 HydrophobicContact CD2-CD2 3.78Å; L371-L387 HydrophobicContact CD2-CG 4.49Å; L371-A391 HydrophobicContact CB-CB 4.14Å; L371-A391 HydrophobicContact CD2-CB 4.09Å; L371-T393 HydrophobicContact CD2-CG2 4.07Å; L371-L416 HydrophobicContact CD2-CD2 4.34Å
372Y97.8Very high94.9Very high1 Ų137.3 Ų37.30%0.00423%0.225CC..Hα-helixtrans-61.8-40.2176.7-168.6-73.2000111.9D365 R367 T369 P370 V375 S376 D396 L398 C400 V403D365-Y372 WeakPolarHBondContact CB-OH 3.26Å; D365-Y372 VanDerWaalsContact CG-OH 3.25Å; D365-Y372 WeakPolarHBondContact OD2-CE1 3.47Å; D365-Y372 PolarHBondContact OD2-OH 3.36Å; R367-Y372 HydrophobicContact CB-CD1 3.23Å; R367-Y372 HydrophobicContact CB-CD2 4.5Å; R367-Y372 HydrophobicContact CB-CE1 3.4Å; R367-Y372 VanDerWaalsContact CB-CE1 3.4Å; R367-Y372 HydrophobicContact CB-CG 3.84Å; R367-Y372 HydrophobicContact CG-CD1 4.3Å; R367-Y372 HydrophobicContact CG-CE1 4.45Å; T369-Y372 WeakPolarHBondContact O-CB 3.42Å; T369-Y372 PolarHBondContact O-N 2.92Å; T369-Y372 VanDerWaalsContact O-N 3.14Å; T369-Y372 PolarHBondContact OG1-N 3.41Å; T369-Y372 VanDerWaalsContact OG1-N 3.16Å; P370-Y372 VanDerWaalsContact C-N 3.26Å; P370-Y372 PolarHBondContact O-N 3.3Å; Y372-V375 PolarHBondContact O-N 3.11Å; Y372-S376 WeakPolarHBondContact O-CB 3.39Å; Y372-S376 PolarHBondContact O-N 2.98Å; Y372-D396 HydrophobicContact CD2-CB 3.68Å; Y372-D396 HydrophobicContact CE2-CB 4.29Å; Y372-L398 HydrophobicContact CE2-CB 4.37Å; Y372-L398 VanDerWaalsContact CE2-O 3.26Å; Y372-L398 WeakPolarHBondContact CE2-O 3.34Å; Y372-C400 HydrophobicContact CD2-CB 4.38Å; Y372-V403 HydrophobicContact CD2-CG2 4.49Å; Y372-V403 HydrophobicContact CE2-CG2 3.55Å; Y372-V403 WeakPolarHBondContact OH-CG2 3.31Å
373F97.9Very high95.3Very high4 Ų431.4 Ų31.42%0.01819%0.193CC..Hα-helixtrans-60.3-51.2176.3-79.3-89.3000111.6H330 A333 D334 L355 Y363 R367 T369 P370 L371 V375 S376 N377H330-F373 HydrophobicContact CB-CE2 4.39Å; A333-F373 HydrophobicContact CB-CB 4.25Å; D334-F373 HydrophobicContact CB-CB 4.32Å; D334-F373 HydrophobicContact CB-CD1 3.64Å; D334-F373 HydrophobicContact CB-CE1 4.23Å; D334-F373 HydrophobicContact CB-CG 4.19Å; D334-F373 WeakPolarHBondContact OD1-CD1 3.36Å; L355-F373 HydrophobicContact CD1-CE2 3.84Å; L355-F373 HydrophobicContact CD1-CZ 3.92Å; Y363-F373 HydrophobicContact CE1-CE1 4.01Å; Y363-F373 HydrophobicContact CE1-CZ 4.24Å; Y363-F373 HydrophobicContact CE2-CZ 4.09Å; Y363-F373 AromaticContact CZ-CE1 3.85Å; Y363-F373 AromaticContact CZ-CZ 3.75Å; R367-F373 VanDerWaalsContact CD-CZ 3.4Å; R367-F373 HydrophobicContact CG-CE2 4.09Å; R367-F373 HydrophobicContact CG-CZ 3.94Å; T369-F373 WeakPolarHBondContact O-CD2 3.27Å; T369-F373 PolarHBondContact O-N 3.39Å; P370-F373 WeakPolarHBondContact O-CB 3.3Å; P370-F373 PolarHBondContact O-N 3.29Å; P370-F373 VanDerWaalsContact O-N 3.11Å; L371-F373 VanDerWaalsContact C-N 3.32Å; L371-F373 PolarHBondContact O-N 2.94Å; F373-V375 VanDerWaalsContact C-N 3.34Å; F373-V375 PolarHBondContact O-N 3.33Å; F373-S376 PolarHBondContact O-N 3.47Å; F373-N377 WeakPolarHBondContact O-CB 3.42Å; F373-N377 VanDerWaalsContact O-CG 3.28Å; F373-N377 PolarHBondContact O-N 3.47Å
374A98.3Very high95.8Very high0 Ų032.3 Ų32.30%020%0.199CC..Hα-helixtrans-56.9-46.9177.500000111.8P370 L371 N377 G378 D379 C382 A383 L386P370-A374 PolarHBondContact O-N 2.89Å; L371-A374 PolarHBondContact O-N 3.34Å; A374-N377 PolarHBondContact O-N 3.31Å; A374-G378 PolarHBondContact O-N 2.89Å; A374-D379 PolarHBondContact O-N 2.85Å; A374-C382 HydrophobicContact CB-CB 3.88Å; A374-A383 HydrophobicContact CB-CB 4.18Å; A374-L386 HydrophobicContact CB-CD1 4.21Å
375V98.1Very high96.5Very high1 Ų128.8 Ų28.81%0.00616%0.159CC..Hα-helixtrans-65.8-41179.1172.30000112.3L371 Y372 F373 N377 G378 A383 C400 V403 A404 R409 L412 L416L371-V375 HydrophobicContact CD1-CG2 4.14Å; L371-V375 HydrophobicContact CG-CG2 4.36Å; L371-V375 WeakPolarHBondContact O-CB 3.45Å; L371-V375 VanDerWaalsContact O-CG2 3.31Å; L371-V375 WeakPolarHBondContact O-CG2 3.26Å; L371-V375 PolarHBondContact O-N 3.09Å; Y372-V375 PolarHBondContact O-N 3.11Å; F373-V375 VanDerWaalsContact C-N 3.34Å; F373-V375 PolarHBondContact O-N 3.33Å; V375-N377 VanDerWaalsContact C-N 3.32Å; V375-G378 PolarHBondContact O-N 3.13Å; V375-A383 HydrophobicContact CG2-CB 4.3Å; V375-C400 HydrophobicContact CB-CB 4.25Å; V375-C400 HydrophobicContact CG1-CB 4.11Å; V375-C400 WeakPolarHBondContact CG1-O 3.44Å; V375-C400 HydrophobicContact CG2-CB 4.22Å; V375-V403 HydrophobicContact CG1-CB 4.41Å; V375-A404 HydrophobicContact CG1-CB 4.01Å; V375-R409 PolarHBondContact O-NH1 2.85Å; V375-L412 HydrophobicContact CG1-CD1 4.33Å; V375-L416 HydrophobicContact CG1-CD1 4.23Å; V375-L416 HydrophobicContact CG2-CD1 4.12Å; V375-L416 HydrophobicContact CG2-CD2 4.23Å
376S96.3Very high97.1Very high27 Ų2726.9 Ų26.919%0.18915%0.149CC..Hα-helixtrans-63.4-38.9176.1175.50000111.4R367 Y372 F373 G378 R409R367-S376 PolarHBondContact NH2-OG 3.26Å; Y372-S376 WeakPolarHBondContact O-CB 3.39Å; Y372-S376 PolarHBondContact O-N 2.98Å; F373-S376 PolarHBondContact O-N 3.47Å; S376-G378 VanDerWaalsContact C-N 3.32Å; S376-R409 VanDerWaalsContact C-NH1 3.31Å; S376-R409 PolarHBondContact O-NH1 2.96Å; S376-R409 PolarHBondContact O-NH2 3.19Å
377N95.8Very high97.7Very high72 Ų7223.4 Ų23.439%0.38513%0.131SC..Hα-helixtrans-78.7-20.5-179.3-66.2-6.3000111.9D334 F373 A374 V375 R409D334-N377 PolarHBondContact O-ND2 3.01Å; D334-N377 PolarHBondContact OD1-ND2 3.44Å; F373-N377 WeakPolarHBondContact O-CB 3.42Å; F373-N377 VanDerWaalsContact O-CG 3.28Å; F373-N377 PolarHBondContact O-N 3.47Å; A374-N377 PolarHBondContact O-N 3.31Å; V375-N377 VanDerWaalsContact C-N 3.32Å; N377-R409 PolarHBondContact O-NH2 3.41Å
378G97.6Very high98Very high27 Ų2728.1 Ų28.128%0.27815%0.154SC..THydrogen-bonded Turntrans92.915.3178.400000112.8A374 V375 S376 V380A374-G378 PolarHBondContact O-N 2.89Å; V375-G378 PolarHBondContact O-N 3.13Å; S376-G378 VanDerWaalsContact C-N 3.32Å; G378-V380 PolarHBondContact O-N 3.07Å
379D98Very high98.1Very high35 Ų3527.1 Ų27.119%0.18716%0.157CC..  trans-85.998.2-176.2-170.3-19.6000110G336 A374 T381 C382 A383G336-D379 VanDerWaalsContact CA-OD2 3.24Å; G336-D379 WeakPolarHBondContact CA-OD2 3.41Å; A374-D379 PolarHBondContact O-N 2.85Å; D379-T381 VanDerWaalsContact C-N 3.31Å; D379-T381 PolarHBondContact OD1-N 3.43Å; D379-C382 HydrophobicContact CB-CB 4.21Å; D379-C382 PolarHBondContact OD1-N 3.17Å; D379-C382 WeakPolarHBondContact OD2-CB 3.31Å; D379-C382 PolarHBondContact OD2-SG 3Å; D379-A383 VanDerWaalsContact O-CB 3.27Å; D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.14Å; D379-A383 VanDerWaalsContact O-N 3.14Å
380V98.3Very high98Very high54 Ų5429.1 Ų29.133%0.32718%0.177SC..Hα-helixtrans-63.4-39.3177.2-1780000110.9G378 A383 E384 E411 L412 L415G378-V380 PolarHBondContact O-N 3.07Å; V380-A383 PolarHBondContact O-N 2.85Å; V380-E384 WeakPolarHBondContact O-CB 3.15Å; V380-E384 PolarHBondContact O-N 3.41Å; V380-E411 HydrophobicContact CG2-CB 4.2Å; V380-L412 HydrophobicContact CB-CD2 4.26Å; V380-L412 HydrophobicContact CG2-CD2 3.9Å; V380-L412 HydrophobicContact CG2-CG 3.92Å; V380-L415 HydrophobicContact CG1-CD2 4.02Å
381T98.5Very high98Very high77 Ų7729.6 Ų29.647%0.47218%0.182SC..Hα-helixtrans-69.3-47.9-174.2-40.20000111.1T338 D379 A383 E384 I385T338-T381 HydrophobicContact CG2-CG2 3.73Å; D379-T381 VanDerWaalsContact C-N 3.31Å; D379-T381 PolarHBondContact OD1-N 3.43Å; T381-A383 VanDerWaalsContact C-N 3.33Å; T381-A383 PolarHBondContact O-N 2.89Å; T381-E384 PolarHBondContact O-N 2.97Å; T381-I385 HydrophobicContact CG2-CD1 4.4Å; T381-I385 WeakPolarHBondContact O-CG1 3.4Å; T381-I385 PolarHBondContact O-N 3Å
382C98.6Very high98Very high0 Ų035.5 Ų35.50%020%0.204CC..Hα-helixtrans-65.7-37.7175.6-74.20000111.7L341 A374 D379 L386L341-C382 HydrophobicContact CD1-CB 3.71Å; L341-C382 VanDerWaalsContact CD1-SG 3.54Å; A374-C382 HydrophobicContact CB-CB 3.88Å; D379-C382 HydrophobicContact CB-CB 4.21Å; D379-C382 PolarHBondContact OD1-N 3.17Å; D379-C382 WeakPolarHBondContact OD2-CB 3.31Å; D379-C382 PolarHBondContact OD2-SG 3Å; C382-L386 WeakPolarHBondContact O-CB 3.43Å; C382-L386 WeakPolarHBondContact O-CD1 3.49Å; C382-L386 VanDerWaalsContact O-CG 3.24Å; C382-L386 WeakPolarHBondContact O-CG 3.42Å; C382-L386 PolarHBondContact O-N 3.44Å
383A98.6Very high97.8Very high0 Ų036.2 Ų36.20%021%0.208CC..Hα-helixtrans-61.9-44.1175.300000111.4L371 A374 V375 D379 V380 T381 L386 L387 L412 L415L371-A383 HydrophobicContact CD1-CB 4.12Å; A374-A383 HydrophobicContact CB-CB 4.18Å; V375-A383 HydrophobicContact CG2-CB 4.3Å; D379-A383 VanDerWaalsContact O-CB 3.27Å; D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.14Å; D379-A383 VanDerWaalsContact O-N 3.14Å; V380-A383 PolarHBondContact O-N 2.85Å; T381-A383 VanDerWaalsContact C-N 3.33Å; T381-A383 PolarHBondContact O-N 2.89Å; A383-L386 PolarHBondContact O-N 3.32Å; A383-L387 WeakPolarHBondContact O-CB 3.3Å; A383-L387 WeakPolarHBondContact O-CD1 3.37Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.41Å; A383-L412 HydrophobicContact CB-CD2 3.81Å; A383-L415 HydrophobicContact CB-CD2 4.1Å
384E98.6Very high97.6Very high80 Ų8038.9 Ų38.937%0.37422%0.223SC..Hα-helixtrans-61.4-51177.4-176.3169.3-130.700111.6V380 T381 L386 L387 E388 L415V380-E384 WeakPolarHBondContact O-CB 3.15Å; V380-E384 PolarHBondContact O-N 3.41Å; T381-E384 PolarHBondContact O-N 2.97Å; E384-L386 VanDerWaalsContact C-N 3.27Å; E384-L386 PolarHBondContact O-N 2.89Å; E384-L387 PolarHBondContact O-N 2.98Å; E384-L387 VanDerWaalsContact O-N 3.08Å; E384-E388 HydrophobicContact CG-CG 4.4Å; E384-E388 WeakPolarHBondContact O-CB 3.36Å; E384-E388 WeakPolarHBondContact O-CG 3.45Å; E384-E388 PolarHBondContact O-N 2.85Å; E384-L415 HydrophobicContact CB-CD1 4.3Å; E384-L415 HydrophobicContact CB-CD2 3.95Å; E384-L415 HydrophobicContact CG-CD1 4.28Å
385I98.7Very high97.4Very high18 Ų1840.7 Ų40.79%0.09223%0.232CC..Hα-helixtrans-55.7-42.9177-69.2168.6000111.4T338 L341 Q342 I345 T381 A389T338-I385 HydrophobicContact CG2-CD1 3.77Å; L341-I385 HydrophobicContact CB-CG2 4.3Å; Q342-I385 HydrophobicContact CG-CD1 4.44Å; Q342-I385 HydrophobicContact CG-CG2 4.33Å; I345-I385 HydrophobicContact CD1-CG2 3.75Å; T381-I385 HydrophobicContact CG2-CD1 4.4Å; T381-I385 WeakPolarHBondContact O-CG1 3.4Å; T381-I385 PolarHBondContact O-N 3Å; I385-A389 VanDerWaalsContact O-CB 3.3Å; I385-A389 WeakPolarHBondContact O-CB 3.34Å; I385-A389 PolarHBondContact O-N 3.44Å
386L98.8Very high97.2Very high0 Ų041 Ų410%023%0.233CC..Hα-helixtrans-66.6-42.4178.4-73.8169000111.7V329 A333 L341 I351 P370 L371 A374 C382 A383 E384 A389 G390 A391V329-L386 HydrophobicContact CG1-CD2 4.01Å; A333-L386 HydrophobicContact CB-CD1 4.08Å; L341-L386 HydrophobicContact CD1-CG 4.36Å; L341-L386 HydrophobicContact CD2-CD2 4.08Å; I351-L386 HydrophobicContact CB-CD2 4.29Å; I351-L386 HydrophobicContact CG2-CD2 4.11Å; P370-L386 HydrophobicContact CB-CD1 4.15Å; P370-L386 HydrophobicContact CB-CD2 4.23Å; L371-L386 HydrophobicContact CB-CD1 4.47Å; L371-L386 HydrophobicContact CD1-CB 4.29Å; A374-L386 HydrophobicContact CB-CD1 4.21Å; C382-L386 WeakPolarHBondContact O-CB 3.43Å; C382-L386 WeakPolarHBondContact O-CD1 3.49Å; C382-L386 VanDerWaalsContact O-CG 3.24Å; C382-L386 WeakPolarHBondContact O-CG 3.42Å; C382-L386 PolarHBondContact O-N 3.44Å; A383-L386 PolarHBondContact O-N 3.32Å; E384-L386 VanDerWaalsContact C-N 3.27Å; E384-L386 PolarHBondContact O-N 2.89Å; L386-A389 CarbonylContact O-C 3.49Å; L386-A389 PolarHBondContact O-N 3.12Å; L386-G390 PolarHBondContact O-N 3.47Å; L386-A391 VanDerWaalsContact C-CB 3.49Å; L386-A391 HydrophobicContact CB-CB 3.93Å; L386-A391 WeakPolarHBondContact O-CB 3.27Å; L386-A391 PolarHBondContact O-N 3.13Å
387L98.3Very high96.8Very high6 Ų642.6 Ų42.63%0.03124%0.243CC..Hα-helixtrans-66.8-43178.7-71.9167.2000112L371 A383 E384 A389 G390 T393 L415 L416 Y419L371-L387 HydrophobicContact CD1-CD1 4.46Å; L371-L387 HydrophobicContact CD1-CD2 4.18Å; L371-L387 HydrophobicContact CD1-CG 3.97Å; L371-L387 HydrophobicContact CD2-CD2 3.78Å; L371-L387 HydrophobicContact CD2-CG 4.49Å; A383-L387 WeakPolarHBondContact O-CB 3.3Å; A383-L387 WeakPolarHBondContact O-CD1 3.37Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.41Å; E384-L387 PolarHBondContact O-N 2.98Å; E384-L387 VanDerWaalsContact O-N 3.08Å; L387-A389 PolarHBondContact O-N 2.9Å; L387-G390 WeakPolarHBondContact O-CA 3.36Å; L387-G390 PolarHBondContact O-N 3.42Å; L387-T393 HydrophobicContact CD2-CG2 3.82Å; L387-L415 HydrophobicContact CD1-CD1 4.31Å; L387-L415 HydrophobicContact CD1-CD2 4.02Å; L387-L415 HydrophobicContact CD1-CG 3.74Å; L387-L416 HydrophobicContact CD1-CD2 4.18Å; L387-L416 HydrophobicContact CD2-CD2 4.42Å; L387-Y419 HydrophobicContact CB-CD1 3.68Å; L387-Y419 HydrophobicContact CB-CD2 3.94Å; L387-Y419 HydrophobicContact CB-CE1 3.85Å; L387-Y419 HydrophobicContact CB-CE2 4.1Å; L387-Y419 HydrophobicContact CB-CG 3.72Å; L387-Y419 HydrophobicContact CD1-CD2 3.87Å; L387-Y419 HydrophobicContact CD1-CE2 4.47Å; L387-Y419 HydrophobicContact CD1-CG 4.09Å; L387-Y419 HydrophobicContact CD2-CG 4.17Å; L387-Y419 HydrophobicContact CG-CD2 4.4Å; L387-Y419 HydrophobicContact CG-CG 4.21Å
388E97.9Very high96.5Very high126 Ų12639.8 Ų39.859%0.58923%0.228SC*.Hα-helixtrans-57.8-38.1171.6-74.8-177.4164.100111.7E384 G390 Y419E384-E388 HydrophobicContact CG-CG 4.4Å; E384-E388 WeakPolarHBondContact O-CB 3.36Å; E384-E388 WeakPolarHBondContact O-CG 3.45Å; E384-E388 PolarHBondContact O-N 2.85Å; E388-G390 PolarHBondContact O-N 2.82Å; E388-Y419 WeakPolarHBondContact CG-OH 3.2Å
389A98.2Very high96.3Very high39 Ų3942 Ų4232%0.32223%0.228SC..THydrogen-bonded Turntrans-76.10.2174.900000114.1I345 I351 I385 L386 L387I345-A389 HydrophobicContact CD1-CB 3.78Å; I345-A389 HydrophobicContact CG1-CB 4.24Å; I345-A389 HydrophobicContact CG2-CB 4.19Å; I351-A389 HydrophobicContact CG1-CB 4.29Å; I351-A389 HydrophobicContact CG2-CB 4.16Å; I385-A389 VanDerWaalsContact O-CB 3.3Å; I385-A389 WeakPolarHBondContact O-CB 3.34Å; I385-A389 PolarHBondContact O-N 3.44Å; L386-A389 CarbonylContact O-C 3.49Å; L386-A389 PolarHBondContact O-N 3.12Å; L387-A389 PolarHBondContact O-N 2.9Å
390G97.7Very high96Very high43 Ų4340.4 Ų40.444%0.44322%0.22SC..THydrogen-bonded Turntrans93.423.7175.700000115.2N352 L386 L387 E388 R392N352-G390 PolarHBondContact ND2-O 3.46Å; N352-G390 VanDerWaalsContact ND2-O 3.17Å; L386-G390 PolarHBondContact O-N 3.47Å; L387-G390 WeakPolarHBondContact O-CA 3.36Å; L387-G390 PolarHBondContact O-N 3.42Å; E388-G390 PolarHBondContact O-N 2.82Å; G390-R392 PolarHBondContact O-N 3.37Å
391A98.3Very high95.9Very high11 Ų1137.9 Ų37.99%0.09120%0.204CC..  trans-61.2134.4173.500000111.9I351 N352 L371 L386I351-A391 HydrophobicContact CD1-CB 4.33Å; N352-A391 WeakPolarHBondContact OD1-CA 3.28Å; L371-A391 HydrophobicContact CB-CB 4.14Å; L371-A391 HydrophobicContact CD2-CB 4.09Å; L386-A391 VanDerWaalsContact C-CB 3.49Å; L386-A391 HydrophobicContact CB-CB 3.93Å; L386-A391 WeakPolarHBondContact O-CB 3.27Å; L386-A391 PolarHBondContact O-N 3.13Å
392R96.9Very high95.8Very high125 Ų12534.3 Ų34.347%0.47218%0.182SC..  trans-89.5133.7-179.8-72.7-17959.6170.71.6111N352 G390 D394 L395N352-R392 WeakPolarHBondContact OD1-CB 3.31Å; N352-R392 PolarHBondContact OD1-N 2.86Å; G390-R392 PolarHBondContact O-N 3.37Å; R392-D394 VanDerWaalsContact C-N 3.3Å; R392-D394 IonicContact CZ-OD1 3.36Å; R392-D394 IonicContact CZ-OD2 3.88Å; R392-D394 IonicContact NE-OD1 2.89Å; R392-D394 PolarHBondContact NE-OD1 3.43Å; R392-D394 VanDerWaalsContact NH2-CG 3.31Å; R392-D394 IonicContact NH2-OD1 2.84Å; R392-D394 PolarHBondContact NH2-OD1 3.26Å; R392-D394 IonicContact NH2-OD2 3.45Å; R392-D394 PolarHBondContact NH2-OD2 2.97Å; R392-D394 PolarHBondContact O-N 3.31Å; R392-L395 HydrophobicContact CB-CD1 3.8Å; R392-L395 HydrophobicContact CB-CG 3.75Å; R392-L395 HydrophobicContact CG-CD1 4.5Å
393T95.1Very high95.6Very high15 Ų1534.5 Ų34.59%0.09218%0.184CC..THydrogen-bonded Turntrans-84.72.7-178.362.80000114.1L371 L387 L416 A421L371-T393 HydrophobicContact CD2-CG2 4.07Å; L387-T393 HydrophobicContact CD2-CG2 3.82Å; T393-L416 HydrophobicContact CG2-CD2 3.92Å; T393-A421 HydrophobicContact CG2-CB 4.09Å; T393-A421 WeakPolarHBondContact OG1-CA 3.14Å
394D92.8Very high95.5Very high61 Ų6134.5 Ų34.533%0.32618%0.184SC..THydrogen-bonded Turntrans-123.48.1-167.273.2-33.6000115R392R392-D394 VanDerWaalsContact C-N 3.3Å; R392-D394 IonicContact CZ-OD1 3.36Å; R392-D394 IonicContact CZ-OD2 3.88Å; R392-D394 IonicContact NE-OD1 2.89Å; R392-D394 PolarHBondContact NE-OD1 3.43Å; R392-D394 VanDerWaalsContact NH2-CG 3.31Å; R392-D394 IonicContact NH2-OD1 2.84Å; R392-D394 PolarHBondContact NH2-OD1 3.26Å; R392-D394 IonicContact NH2-OD2 3.45Å; R392-D394 PolarHBondContact NH2-OD2 2.97Å; R392-D394 PolarHBondContact O-N 3.31Å
395L94.4Very high95.4Very high37 Ų3730.9 Ų30.919%0.19417%0.167CC..SBendtrans-86.4-23.9-174.7-67.9-179.8000114.1N352 Q354 T369 R392N352-L395 HydrophobicContact CB-CD1 3.77Å; N352-L395 WeakPolarHBondContact OD1-CD1 3.49Å; Q354-L395 PolarHBondContact NE2-O 3.37Å; Q354-L395 VanDerWaalsContact NE2-O 3.15Å; T369-L395 HydrophobicContact CG2-CB 3.56Å; T369-L395 HydrophobicContact CG2-CD1 4.02Å; T369-L395 HydrophobicContact CG2-CG 4.43Å; R392-L395 HydrophobicContact CB-CD1 3.8Å; R392-L395 HydrophobicContact CB-CG 3.75Å; R392-L395 HydrophobicContact CG-CD1 4.5Å
396D93.1Very high95.2Very high7 Ų736.2 Ų36.24%0.03719%0.186CC..SBendtrans-84.2143.5179.5-63.5-87.2000111.9K368 T369 Y372 L398K368-D396 WeakPolarHBondContact CA-OD1 3.34Å; K368-D396 PolarHBondContact N-OD1 3.01Å; T369-D396 WeakPolarHBondContact CB-OD2 3.46Å; T369-D396 VanDerWaalsContact CG2-OD2 3.28Å; T369-D396 WeakPolarHBondContact CG2-OD2 3.33Å; T369-D396 PolarHBondContact N-OD1 3.31Å; T369-D396 PolarHBondContact OG1-OD2 3.41Å; Y372-D396 HydrophobicContact CD2-CB 3.68Å; Y372-D396 HydrophobicContact CE2-CB 4.29Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 VanDerWaalsContact CB-O 3.31Å; D396-L398 WeakPolarHBondContact CB-O 3.42Å; D396-L398 PolarHBondContact O-N 3.07Å
397P87.9Confident95.1Very high61 Ų6138.2 Ų38.240%0.39620%0.202SC..SBendtrans-56.6-45.3177.9-24.133.3000112.8
398L90.5Very high95Very high13 Ų1343.9 Ų43.97%0.06823%0.229CC..SBendtrans-90.9112.7164.7178.760000107.4Y372 D396 C400 L402 V403 F427Y372-L398 HydrophobicContact CE2-CB 4.37Å; Y372-L398 VanDerWaalsContact CE2-O 3.26Å; Y372-L398 WeakPolarHBondContact CE2-O 3.34Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 VanDerWaalsContact CB-O 3.31Å; D396-L398 WeakPolarHBondContact CB-O 3.42Å; D396-L398 PolarHBondContact O-N 3.07Å; L398-C400 PolarHBondContact O-N 2.93Å; L398-L402 HydrophobicContact CD1-CB 3.98Å; L398-L402 HydrophobicContact CD1-CD1 3.95Å; L398-V403 HydrophobicContact CD2-CG2 3.83Å; L398-V403 HydrophobicContact CG-CG2 3.96Å; L398-F427 HydrophobicContact CB-CD2 4.24Å; L398-F427 HydrophobicContact CB-CE2 3.95Å; L398-F427 HydrophobicContact CB-CZ 4.29Å; L398-F427 HydrophobicContact CD1-CB 4.15Å; L398-F427 HydrophobicContact CD1-CD1 3.91Å; L398-F427 HydrophobicContact CD1-CD2 3.9Å; L398-F427 HydrophobicContact CD1-CE1 4.23Å; L398-F427 HydrophobicContact CD1-CE2 4.25Å; L398-F427 HydrophobicContact CD1-CG 3.72Å; L398-F427 HydrophobicContact CD1-CZ 4.4Å
399R92.3Very high94.9Very high75 Ų7541.8 Ų41.828%0.28322%0.215SC..  trans-62135.1-178.3-61.8-159.8-176.2-144.5-7.7110.7I401 L402 C425R399-I401 HydrophobicContact CB-CG2 4.16Å; R399-I401 PolarHBondContact O-N 3.33Å; R399-I401 VanDerWaalsContact O-N 3.1Å; R399-L402 WeakPolarHBondContact O-CB 2.95Å; R399-L402 PolarHBondContact O-N 3.49Å; R399-C425 VanDerWaalsContact CD-CB 3.43Å; R399-C425 HydrophobicContact CG-CB 4.28Å
400C93.5Very high94.8Very high0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-54.8-34.1-176.759.60000113Y372 V375 L398 L402 V403 A404Y372-C400 HydrophobicContact CD2-CB 4.38Å; V375-C400 HydrophobicContact CB-CB 4.25Å; V375-C400 HydrophobicContact CG1-CB 4.11Å; V375-C400 WeakPolarHBondContact CG1-O 3.44Å; V375-C400 HydrophobicContact CG2-CB 4.22Å; L398-C400 PolarHBondContact O-N 2.93Å; C400-L402 VanDerWaalsContact C-N 3.3Å; C400-L402 PolarHBondContact O-N 3.19Å; C400-V403 WeakPolarHBondContact O-CA 3.45Å; C400-V403 VanDerWaalsContact O-CB 3.29Å; C400-V403 WeakPolarHBondContact O-CB 3.29Å; C400-V403 PolarHBondContact O-N 3.12Å; C400-A404 PolarHBondContact O-N 3Å
401I95.9Very high94.7Very high2 Ų246.3 Ų46.31%0.0122%0.216CC..Hα-helixtrans-59.5-38175.5-168.6172.6000112.8R399 V403 A404 I405 L416 L417 A421R399-I401 HydrophobicContact CB-CG2 4.16Å; R399-I401 PolarHBondContact O-N 3.33Å; R399-I401 VanDerWaalsContact O-N 3.1Å; I401-V403 VanDerWaalsContact C-N 3.25Å; I401-V403 PolarHBondContact O-N 2.86Å; I401-A404 PolarHBondContact O-N 2.75Å; I401-I405 HydrophobicContact CD1-CD1 4.49Å; I401-I405 HydrophobicContact CG1-CD1 3.9Å; I401-I405 HydrophobicContact CG1-CG1 4.34Å; I401-I405 WeakPolarHBondContact O-CD1 3.39Å; I401-I405 WeakPolarHBondContact O-CG1 3.33Å; I401-I405 PolarHBondContact O-N 2.73Å; I401-L416 HydrophobicContact CB-CD1 4.19Å; I401-L417 HydrophobicContact CD1-CD2 3.54Å; I401-L417 HydrophobicContact CD1-CG 3.81Å; I401-A421 HydrophobicContact CB-CB 4.18Å; I401-A421 HydrophobicContact CD1-CB 3.87Å
402L95.1Very high94.7Very high2 Ų245.9 Ų45.91%0.0121%0.212CC..Hα-helixtrans-67.1-30.7177-66176.7000111.6L398 R399 C400 I405 R406 F427 T437 A438 Y441L398-L402 HydrophobicContact CD1-CB 3.98Å; L398-L402 HydrophobicContact CD1-CD1 3.95Å; R399-L402 WeakPolarHBondContact O-CB 2.95Å; R399-L402 PolarHBondContact O-N 3.49Å; C400-L402 VanDerWaalsContact C-N 3.3Å; C400-L402 PolarHBondContact O-N 3.19Å; L402-I405 HydrophobicContact CD2-CD1 4.47Å; L402-R406 VanDerWaalsContact O-CB 3.27Å; L402-R406 WeakPolarHBondContact O-CB 3.41Å; L402-R406 PolarHBondContact O-N 3.21Å; L402-F427 HydrophobicContact CD1-CB 3.98Å; L402-T437 HydrophobicContact CD1-CG2 4.11Å; L402-T437 HydrophobicContact CD2-CG2 4.25Å; L402-A438 HydrophobicContact CD2-CB 4.04Å; L402-Y441 HydrophobicContact CB-CE2 4.23Å; L402-Y441 HydrophobicContact CD2-CE2 4.35Å
403V94.8Very high94.7Very high4 Ų440 Ų402%0.02419%0.19CC..Hα-helixtrans-68.2-46.6174.6-174.40000110.3Y372 V375 L398 C400 I401 R406 A407Y372-V403 HydrophobicContact CD2-CG2 4.49Å; Y372-V403 HydrophobicContact CE2-CG2 3.55Å; Y372-V403 WeakPolarHBondContact OH-CG2 3.31Å; V375-V403 HydrophobicContact CG1-CB 4.41Å; L398-V403 HydrophobicContact CD2-CG2 3.83Å; L398-V403 HydrophobicContact CG-CG2 3.96Å; C400-V403 WeakPolarHBondContact O-CA 3.45Å; C400-V403 VanDerWaalsContact O-CB 3.29Å; C400-V403 WeakPolarHBondContact O-CB 3.29Å; C400-V403 PolarHBondContact O-N 3.12Å; I401-V403 VanDerWaalsContact C-N 3.25Å; I401-V403 PolarHBondContact O-N 2.86Å; V403-R406 PolarHBondContact O-N 3.43Å; V403-A407 WeakPolarHBondContact O-CB 3.43Å; V403-A407 PolarHBondContact O-N 3.09Å
404A97.3Very high94.7Very high0 Ų042.1 Ų42.10%020%0.198CC..Hα-helixtrans-62-43177.200000112.1V375 C400 I401 A407 E408 R409 L412 V413 L416V375-A404 HydrophobicContact CG1-CB 4.01Å; C400-A404 PolarHBondContact O-N 3Å; I401-A404 PolarHBondContact O-N 2.75Å; A404-A407 CarbonylContact O-C 3.6Å; A404-A407 PolarHBondContact O-N 3.2Å; A404-E408 PolarHBondContact O-N 3.15Å; A404-R409 PolarHBondContact O-N 3Å; A404-L412 HydrophobicContact CB-CB 3.97Å; A404-V413 HydrophobicContact CB-CG2 3.7Å; A404-L416 HydrophobicContact CB-CD1 4.08Å
405I96.7Very high94.8Very high3 Ų340.1 Ų40.12%0.01519%0.187CC..Hα-helixtrans-63-49.4177-65.6162.9000110.7I401 L402 A407 E408 V413 A438 M448 L452I401-I405 HydrophobicContact CD1-CD1 4.49Å; I401-I405 HydrophobicContact CG1-CD1 3.9Å; I401-I405 HydrophobicContact CG1-CG1 4.34Å; I401-I405 WeakPolarHBondContact O-CD1 3.39Å; I401-I405 WeakPolarHBondContact O-CG1 3.33Å; I401-I405 PolarHBondContact O-N 2.73Å; L402-I405 HydrophobicContact CD2-CD1 4.47Å; I405-A407 PolarHBondContact O-N 3.4Å; I405-E408 PolarHBondContact O-N 2.95Å; I405-V413 HydrophobicContact CG1-CG1 4.33Å; I405-V413 HydrophobicContact CG1-CG2 3.7Å; I405-A438 HydrophobicContact CD1-CB 3.79Å; I405-M448 HydrophobicContact CG1-SD 4.39Å; I405-M448 HydrophobicContact CG2-CG 4.13Å; I405-L452 HydrophobicContact CD1-CD1 4.02Å; I405-L452 HydrophobicContact CD1-CD2 3.55Å; I405-L452 HydrophobicContact CD1-CG 4.44Å; I405-L452 HydrophobicContact CG1-CD1 4.4Å; I405-L452 HydrophobicContact CG1-CD2 4.02Å; I405-L452 HydrophobicContact CG2-CD1 4.2Å
406R94.3Very high95Very high131 Ų13138.4 Ų38.449%0.49418%0.178SC..Hα-helixtrans-61.2-28.8179.7-177.1178.462.576.3-1.9112.6L402 V403 E408 Y441L402-R406 VanDerWaalsContact O-CB 3.27Å; L402-R406 WeakPolarHBondContact O-CB 3.41Å; L402-R406 PolarHBondContact O-N 3.21Å; V403-R406 PolarHBondContact O-N 3.43Å; R406-E408 VanDerWaalsContact C-N 3.34Å; R406-Y441 HydrophobicContact CB-CD1 3.81Å; R406-Y441 HydrophobicContact CB-CD2 4.17Å; R406-Y441 HydrophobicContact CB-CE1 4.06Å; R406-Y441 HydrophobicContact CB-CE2 4.38Å; R406-Y441 HydrophobicContact CB-CG 3.9Å; R406-Y441 HydrophobicContact CG-CD1 3.68Å; R406-Y441 HydrophobicContact CG-CE1 3.77Å; R406-Y441 HydrophobicContact CG-CG 4.28Å
407A95.4Very high95Very high42 Ų4238.1 Ų38.135%0.34718%0.177SC..THydrogen-bonded Turntrans-90.15.4176.600000113.5V403 A404 I405 R409V403-A407 WeakPolarHBondContact O-CB 3.43Å; V403-A407 PolarHBondContact O-N 3.09Å; A404-A407 CarbonylContact O-C 3.6Å; A404-A407 PolarHBondContact O-N 3.2Å; I405-A407 PolarHBondContact O-N 3.4Å; A407-R409 HydrophobicContact CB-CG 3.98Å; A407-R409 PolarHBondContact O-N 3.07Å
408E95.9Very high95.3Very high125 Ų12536.9 Ų36.958%0.58417%0.169SC*.THydrogen-bonded Turntrans56.233.2-180-60.8171.9-15500113.1A404 I405 R406 Y410A404-E408 PolarHBondContact O-N 3.15Å; I405-E408 PolarHBondContact O-N 2.95Å; R406-E408 VanDerWaalsContact C-N 3.34Å; E408-Y410 VanDerWaalsContact O-CD2 3.26Å; E408-Y410 WeakPolarHBondContact O-CD2 3.35Å; E408-Y410 PolarHBondContact O-N 3.29Å
409R96.6Very high95.4Very high81 Ų8140.3 Ų40.331%0.30618%0.182SC..  trans-93.280.8-177.5-65.4-176.5179.4153.4-8111.5V375 S376 N377 A404 A407 E411 L412 V413V375-R409 PolarHBondContact O-NH1 2.85Å; S376-R409 VanDerWaalsContact C-NH1 3.31Å; S376-R409 PolarHBondContact O-NH1 2.96Å; S376-R409 PolarHBondContact O-NH2 3.19Å; N377-R409 PolarHBondContact O-NH2 3.41Å; A404-R409 PolarHBondContact O-N 3Å; A407-R409 HydrophobicContact CB-CG 3.98Å; A407-R409 PolarHBondContact O-N 3.07Å; R409-E411 PolarHBondContact O-N 2.98Å; R409-L412 HydrophobicContact CB-CB 4.13Å; R409-L412 HydrophobicContact CB-CD1 4.19Å; R409-L412 HydrophobicContact CB-CG 4.47Å; R409-L412 PolarHBondContact O-N 3.31Å; R409-V413 WeakPolarHBondContact O-CG2 3.21Å; R409-V413 PolarHBondContact O-N 2.89Å
410Y95.4Very high95.4Very high58 Ų5838.1 Ų38.123%0.22718%0.183CC..Hα-helixtrans-50.6-48.5-177.4-72.7-98.5000114.3E408 L412 V413 K414 D445 D447 M448 L451E408-Y410 VanDerWaalsContact O-CD2 3.26Å; E408-Y410 WeakPolarHBondContact O-CD2 3.35Å; E408-Y410 PolarHBondContact O-N 3.29Å; Y410-L412 VanDerWaalsContact C-N 3.35Å; Y410-L412 PolarHBondContact O-N 2.71Å; Y410-V413 PolarHBondContact O-N 3.29Å; Y410-V413 VanDerWaalsContact O-N 3.13Å; Y410-K414 WeakPolarHBondContact O-CG 3.31Å; Y410-K414 PolarHBondContact O-N 3.32Å; Y410-D445 PolarHBondContact OH-OD1 3.45Å; Y410-D445 PolarHBondContact OH-OD2 3.44Å; Y410-D447 HydrophobicContact CE1-CB 4.26Å; Y410-M448 HydrophobicContact CD1-CE 3.88Å; Y410-M448 HydrophobicContact CD2-CE 3.84Å; Y410-M448 HydrophobicContact CE1-CB 4.11Å; Y410-M448 HydrophobicContact CE1-CE 3.94Å; Y410-M448 HydrophobicContact CE2-CE 3.84Å; Y410-M448 HydrophobicContact CG-CE 3.85Å; Y410-M448 PolarHBondContact OH-N 2.88Å; Y410-L451 HydrophobicContact CD1-CD2 4.12Å
411E96.5Very high95.4Very high120 Ų12038.3 Ų38.356%0.56118%0.184SC*.Hα-helixtrans-62-42.4-178.3-60.5-50.9137.800111.9V380 R409 V413 K414 L415V380-E411 HydrophobicContact CG2-CB 4.2Å; R409-E411 PolarHBondContact O-N 2.98Å; E411-V413 PolarHBondContact O-N 3.25Å; E411-K414 PolarHBondContact O-N 3.41Å; E411-L415 VanDerWaalsContact O-CB 3.26Å; E411-L415 WeakPolarHBondContact O-CB 3.23Å; E411-L415 PolarHBondContact O-N 3.02Å
412L97.9Very high95.2Very high2 Ų242.2 Ų42.21%0.0120%0.202CC..Hα-helixtrans-66.1-37.4174.2-78.6-180000112.4V375 V380 A383 A404 R409 Y410 L415 L416V375-L412 HydrophobicContact CG1-CD1 4.33Å; V380-L412 HydrophobicContact CB-CD2 4.26Å; V380-L412 HydrophobicContact CG2-CD2 3.9Å; V380-L412 HydrophobicContact CG2-CG 3.92Å; A383-L412 HydrophobicContact CB-CD2 3.81Å; A404-L412 HydrophobicContact CB-CB 3.97Å; R409-L412 HydrophobicContact CB-CB 4.13Å; R409-L412 HydrophobicContact CB-CD1 4.19Å; R409-L412 HydrophobicContact CB-CG 4.47Å; R409-L412 PolarHBondContact O-N 3.31Å; Y410-L412 VanDerWaalsContact C-N 3.35Å; Y410-L412 PolarHBondContact O-N 2.71Å; L412-L415 HydrophobicContact CD2-CD2 4.4Å; L412-L416 VanDerWaalsContact O-CB 3.3Å; L412-L416 WeakPolarHBondContact O-CB 3.39Å; L412-L416 WeakPolarHBondContact O-CD1 3.11Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 3.32Å
413V97.1Very high95.1Very high0 Ų042.3 Ų42.30%020%0.203CC..Hα-helixtrans-64.2-47.8176.4173.90000110.2A404 I405 R409 Y410 E411 L415 L416 L417 M448 L451 L452A404-V413 HydrophobicContact CB-CG2 3.7Å; I405-V413 HydrophobicContact CG1-CG1 4.33Å; I405-V413 HydrophobicContact CG1-CG2 3.7Å; R409-V413 WeakPolarHBondContact O-CG2 3.21Å; R409-V413 PolarHBondContact O-N 2.89Å; Y410-V413 PolarHBondContact O-N 3.29Å; Y410-V413 VanDerWaalsContact O-N 3.13Å; E411-V413 PolarHBondContact O-N 3.25Å; V413-L415 PolarHBondContact O-N 3.02Å; V413-L416 PolarHBondContact O-N 3.48Å; V413-L417 HydrophobicContact CG1-CD1 3.63Å; V413-L417 HydrophobicContact CG1-CG 4.38Å; V413-L417 WeakPolarHBondContact O-CB 3.27Å; V413-L417 WeakPolarHBondContact O-CD1 3.4Å; V413-L417 WeakPolarHBondContact O-CG 3.23Å; V413-L417 PolarHBondContact O-N 2.94Å; V413-M448 HydrophobicContact CB-SD 4.33Å; V413-M448 HydrophobicContact CG1-SD 4.11Å; V413-M448 HydrophobicContact CG2-CE 4.14Å; V413-M448 HydrophobicContact CG2-SD 4.02Å; V413-L451 HydrophobicContact CB-CD2 4.31Å; V413-L451 HydrophobicContact CG1-CD2 3.83Å; V413-L452 HydrophobicContact CG1-CD2 4.09Å
414K95.1Very high95Very high61 Ų6143.1 Ų43.127%0.26521%0.207SC..Hα-helixtrans-57.6-48.5175.9-73.5179.1171.3-170.30111.2Y410 E411 L417 S418 L451 L599Y410-K414 WeakPolarHBondContact O-CG 3.31Å; Y410-K414 PolarHBondContact O-N 3.32Å; E411-K414 PolarHBondContact O-N 3.41Å; K414-L417 PolarHBondContact O-N 3.17Å; K414-S418 PolarHBondContact O-N 2.8Å; K414-L451 HydrophobicContact CG-CD1 4.08Å; K414-L451 HydrophobicContact CG-CD2 4.09Å; K414-L599 PolarHBondContact NZ-OXT 3.31Å
415L96.1Very high94.7Very high19 Ų1943.3 Ų43.310%0.09921%0.208CC..Hα-helixtrans-60.5-49.2177.518066.1000112.2V380 A383 E384 L387 E411 L412 V413 L417 S418 Y419V380-L415 HydrophobicContact CG1-CD2 4.02Å; A383-L415 HydrophobicContact CB-CD2 4.1Å; E384-L415 HydrophobicContact CB-CD1 4.3Å; E384-L415 HydrophobicContact CB-CD2 3.95Å; E384-L415 HydrophobicContact CG-CD1 4.28Å; L387-L415 HydrophobicContact CD1-CD1 4.31Å; L387-L415 HydrophobicContact CD1-CD2 4.02Å; L387-L415 HydrophobicContact CD1-CG 3.74Å; E411-L415 VanDerWaalsContact O-CB 3.26Å; E411-L415 WeakPolarHBondContact O-CB 3.23Å; E411-L415 PolarHBondContact O-N 3.02Å; L412-L415 HydrophobicContact CD2-CD2 4.4Å; V413-L415 PolarHBondContact O-N 3.02Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.28Å; L415-S418 PolarHBondContact O-N 2.75Å; L415-S418 PolarHBondContact O-OG 3.19Å; L415-Y419 HydrophobicContact CD1-CD2 3.94Å; L415-Y419 HydrophobicContact CD1-CE2 3.7Å; L415-Y419 WeakPolarHBondContact O-CD2 3.43Å; L415-Y419 PolarHBondContact O-N 2.87Å
416L96.8Very high94.3Very high0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-61.8-38.6179.1-73168.8000111.8L371 V375 L387 T393 I401 A404 L412 V413 Y419 G420 A421L371-L416 HydrophobicContact CD2-CD2 4.34Å; V375-L416 HydrophobicContact CG1-CD1 4.23Å; V375-L416 HydrophobicContact CG2-CD1 4.12Å; V375-L416 HydrophobicContact CG2-CD2 4.23Å; L387-L416 HydrophobicContact CD1-CD2 4.18Å; L387-L416 HydrophobicContact CD2-CD2 4.42Å; T393-L416 HydrophobicContact CG2-CD2 3.92Å; I401-L416 HydrophobicContact CB-CD1 4.19Å; A404-L416 HydrophobicContact CB-CD1 4.08Å; L412-L416 VanDerWaalsContact O-CB 3.3Å; L412-L416 WeakPolarHBondContact O-CB 3.39Å; L412-L416 WeakPolarHBondContact O-CD1 3.11Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 3.32Å; V413-L416 PolarHBondContact O-N 3.48Å; L416-Y419 CarbonylContact O-C 3.48Å; L416-Y419 PolarHBondContact O-N 2.72Å; L416-G420 PolarHBondContact O-N 3.36Å; L416-A421 HydrophobicContact CB-CB 3.88Å; L416-A421 WeakPolarHBondContact O-CB 3.32Å; L416-A421 PolarHBondContact O-N 2.86Å
417L94.5Very high94Very high2 Ų241.7 Ų41.71%0.0120%0.204CC..Hα-helixtrans-68.4-38.5178.3-72166.6000112.6I401 V413 K414 L415 Y419 G420 V423 N570I401-L417 HydrophobicContact CD1-CD2 3.54Å; I401-L417 HydrophobicContact CD1-CG 3.81Å; V413-L417 HydrophobicContact CG1-CD1 3.63Å; V413-L417 HydrophobicContact CG1-CG 4.38Å; V413-L417 WeakPolarHBondContact O-CB 3.27Å; V413-L417 WeakPolarHBondContact O-CD1 3.4Å; V413-L417 WeakPolarHBondContact O-CG 3.23Å; V413-L417 PolarHBondContact O-N 2.94Å; K414-L417 PolarHBondContact O-N 3.17Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.28Å; L417-Y419 VanDerWaalsContact C-N 3.26Å; L417-Y419 PolarHBondContact O-N 3.09Å; L417-G420 PolarHBondContact O-N 3.29Å; L417-V423 HydrophobicContact CD2-CB 4.1Å; L417-N570 HydrophobicContact CB-CB 4.08Å; L417-N570 WeakPolarHBondContact O-CB 3.46Å
418S92.8Very high93.4Very high34 Ų3447.2 Ų47.224%0.23822%0.216CC..Hα-helixtrans-63.7-34.517670.30000111.4K414 L415 G420K414-S418 PolarHBondContact O-N 2.8Å; L415-S418 PolarHBondContact O-N 2.75Å; L415-S418 PolarHBondContact O-OG 3.19Å; S418-G420 PolarHBondContact O-N 3.47Å
419Y93.8Very high92.6Very high86 Ų8647.2 Ų47.234%0.33722%0.224SC..THydrogen-bonded Turntrans-83.49.1172.1-75.7-92.2000114.5L387 E388 L415 L416 L417L387-Y419 HydrophobicContact CB-CD1 3.68Å; L387-Y419 HydrophobicContact CB-CD2 3.94Å; L387-Y419 HydrophobicContact CB-CE1 3.85Å; L387-Y419 HydrophobicContact CB-CE2 4.1Å; L387-Y419 HydrophobicContact CB-CG 3.72Å; L387-Y419 HydrophobicContact CD1-CD2 3.87Å; L387-Y419 HydrophobicContact CD1-CE2 4.47Å; L387-Y419 HydrophobicContact CD1-CG 4.09Å; L387-Y419 HydrophobicContact CD2-CG 4.17Å; L387-Y419 HydrophobicContact CG-CD2 4.4Å; L387-Y419 HydrophobicContact CG-CG 4.21Å; E388-Y419 WeakPolarHBondContact CG-OH 3.2Å; L415-Y419 HydrophobicContact CD1-CD2 3.94Å; L415-Y419 HydrophobicContact CD1-CE2 3.7Å; L415-Y419 WeakPolarHBondContact O-CD2 3.43Å; L415-Y419 PolarHBondContact O-N 2.87Å; L416-Y419 CarbonylContact O-C 3.48Å; L416-Y419 PolarHBondContact O-N 2.72Å; L417-Y419 VanDerWaalsContact C-N 3.26Å; L417-Y419 PolarHBondContact O-N 3.09Å
420G91.3Very high91.4Very high29 Ų2948 Ų4830%0.29923%0.233SC..THydrogen-bonded Turntrans86.426.3169.300000115.6L416 L417 S418 E422L416-G420 PolarHBondContact O-N 3.36Å; L417-G420 PolarHBondContact O-N 3.29Å; S418-G420 PolarHBondContact O-N 3.47Å; G420-E422 PolarHBondContact O-N 3.38Å
421A94.4Very high90.4Very high3 Ų347.2 Ų47.23%0.02523%0.233CC..  trans-59.3134.9170.200000112T393 I401 L416 V423T393-A421 HydrophobicContact CG2-CB 4.09Å; T393-A421 WeakPolarHBondContact OG1-CA 3.14Å; I401-A421 HydrophobicContact CB-CB 4.18Å; I401-A421 HydrophobicContact CD1-CB 3.87Å; L416-A421 HydrophobicContact CB-CB 3.88Å; L416-A421 WeakPolarHBondContact O-CB 3.32Å; L416-A421 PolarHBondContact O-N 2.86Å; A421-V423 PolarHBondContact O-N 3.25Å
422E92Very high89.9Confident85 Ų8542.9 Ų42.940%0.39721%0.213SC..  trans-76.2110.2-179.9-179.656.5-121.400111.3G420 N424 C425G420-E422 PolarHBondContact O-N 3.38Å; E422-N424 VanDerWaalsContact C-N 3.33Å; E422-N424 WeakPolarHBondContact OE1-CA 3.46Å; E422-N424 WeakPolarHBondContact OE1-CB 3.18Å; E422-N424 PolarHBondContact OE1-N 3.37Å; E422-N424 PolarHBondContact OE1-ND2 3.33Å; E422-N424 VanDerWaalsContact OE1-ND2 3.16Å; E422-C425 PolarHBondContact O-SG 2.97Å
423V92.5Very high89.5Confident4 Ų443 Ų432%0.02421%0.214CC..THydrogen-bonded Turntrans-70.5-28177.274.10000112.6L417 A421 C425 L452 Y457L417-V423 HydrophobicContact CD2-CB 4.1Å; A421-V423 PolarHBondContact O-N 3.25Å; V423-C425 PolarHBondContact O-N 3Å; V423-L452 HydrophobicContact CG2-CB 4.04Å; V423-L452 HydrophobicContact CG2-CD2 3.63Å; V423-L452 HydrophobicContact CG2-CG 4.39Å; V423-Y457 HydrophobicContact CG2-CD2 4.32Å
424N92.2Very high89.1Confident20 Ų2044.1 Ų44.111%0.10722%0.221CC..THydrogen-bonded Turntrans-90.838.1-178.5-56.3-72.8000113.2E422 P436 G456 Y457 Q458E422-N424 VanDerWaalsContact C-N 3.33Å; E422-N424 WeakPolarHBondContact OE1-CA 3.46Å; E422-N424 WeakPolarHBondContact OE1-CB 3.18Å; E422-N424 PolarHBondContact OE1-N 3.37Å; E422-N424 PolarHBondContact OE1-ND2 3.33Å; E422-N424 VanDerWaalsContact OE1-ND2 3.16Å; N424-P436 HydrophobicContact CB-CB 4.32Å; N424-P436 HydrophobicContact CB-CG 3.89Å; N424-G456 PolarHBondContact ND2-O 3.23Å; N424-Y457 WeakPolarHBondContact OD1-CA 3.37Å; N424-Q458 WeakPolarHBondContact OD1-CB 3.27Å; N424-Q458 VanDerWaalsContact OD1-CG 3.3Å; N424-Q458 WeakPolarHBondContact OD1-CG 3.46Å; N424-Q458 PolarHBondContact OD1-N 3.38Å
425C91.3Very high88.9Confident4 Ų441.3 Ų41.33%0.02721%0.209CC..  trans-84.5157.1179.957.60000113.3R399 E422 V423 T437R399-C425 VanDerWaalsContact CD-CB 3.43Å; R399-C425 HydrophobicContact CG-CB 4.28Å; E422-C425 PolarHBondContact O-SG 2.97Å; V423-C425 PolarHBondContact O-N 3Å; C425-T437 PolarHBondContact O-N 3.05Å
426Y89.3Confident88.8Confident67 Ų6740.4 Ų40.426%0.26320%0.204SC..  trans-122.5130.4-179-67.8-99.8000110.5T433 V434 F435 P436 T437 K461Y426-T433 WeakPolarHBondContact CE1-O 3.31Å; Y426-V434 PolarHBondContact OH-O 3.39Å; Y426-F435 VanDerWaalsContact CE1-O 3.24Å; Y426-F435 WeakPolarHBondContact CE1-O 3.3Å; Y426-P436 HydrophobicContact CE2-CG 4.42Å; Y426-T437 WeakPolarHBondContact CA-OG1 3.35Å; Y426-K461 WeakPolarHBondContact OH-CD 3.46Å; Y426-K461 PolarHBondContact OH-NZ 3.35Å; Y426-K461 VanDerWaalsContact OH-NZ 3.07Å
427F87.5Confident88.6Confident34 Ų3440.8 Ų40.815%0.14921%0.206CC..  trans-11586.9168.9-171.7-114.6000110.1L398 L402 V429 I430 T437L398-F427 HydrophobicContact CB-CD2 4.24Å; L398-F427 HydrophobicContact CB-CE2 3.95Å; L398-F427 HydrophobicContact CB-CZ 4.29Å; L398-F427 HydrophobicContact CD1-CB 4.15Å; L398-F427 HydrophobicContact CD1-CD1 3.91Å; L398-F427 HydrophobicContact CD1-CD2 3.9Å; L398-F427 HydrophobicContact CD1-CE1 4.23Å; L398-F427 HydrophobicContact CD1-CE2 4.25Å; L398-F427 HydrophobicContact CD1-CG 3.72Å; L398-F427 HydrophobicContact CD1-CZ 4.4Å; L402-F427 HydrophobicContact CD1-CB 3.98Å; F427-V429 VanDerWaalsContact C-N 3.27Å; F427-V429 HydrophobicContact CE1-CB 3.96Å; F427-V429 HydrophobicContact CE2-CB 4.26Å; F427-V429 HydrophobicContact CE2-CG2 3.96Å; F427-V429 HydrophobicContact CZ-CB 3.81Å; F427-V429 HydrophobicContact CZ-CG1 4.48Å; F427-V429 HydrophobicContact CZ-CG2 3.96Å; F427-V429 PolarHBondContact O-N 3.45Å; F427-I430 HydrophobicContact CD1-CB 4.49Å; F427-I430 HydrophobicContact CD1-CD1 3.83Å; F427-I430 HydrophobicContact CD1-CG1 3.96Å; F427-I430 HydrophobicContact CE1-CD1 3.63Å; F427-I430 HydrophobicContact CE1-CG1 3.71Å; F427-T437 HydrophobicContact CB-CG2 4.21Å; F427-T437 PolarHBondContact N-OG1 2.89Å
428R83.3Confident88.6Confident158 Ų15840.7 Ų40.760%0.59621%0.206SC*.THydrogen-bonded Turntrans-79.4-4-168.2-62.3-176.2178.1-178.4-1.3114.9I430R428-I430 VanDerWaalsContact C-N 3.31Å
429V77.8Confident88.6Confident125 Ų12539 Ų3976%0.75819%0.194SC*.THydrogen-bonded Turntrans-66.1-36.7177.5-179.20000110.9F427F427-V429 VanDerWaalsContact C-N 3.27Å; F427-V429 HydrophobicContact CE1-CB 3.96Å; F427-V429 HydrophobicContact CE2-CB 4.26Å; F427-V429 HydrophobicContact CE2-CG2 3.96Å; F427-V429 HydrophobicContact CZ-CB 3.81Å; F427-V429 HydrophobicContact CZ-CG1 4.48Å; F427-V429 HydrophobicContact CZ-CG2 3.96Å; F427-V429 PolarHBondContact O-N 3.45Å
430I71.9Confident88.3Confident98 Ų9839.3 Ų39.350%0.50320%0.196SC..THydrogen-bonded Turntrans-91.9-57.3179.6-59.5171.6000110.5F427 R428F427-I430 HydrophobicContact CD1-CB 4.49Å; F427-I430 HydrophobicContact CD1-CD1 3.83Å; F427-I430 HydrophobicContact CD1-CG1 3.96Å; F427-I430 HydrophobicContact CE1-CD1 3.63Å; F427-I430 HydrophobicContact CE1-CG1 3.71Å; R428-I430 VanDerWaalsContact C-N 3.31Å
431N75.1Confident88.3Confident41 Ų4140.1 Ų40.122%0.21919%0.19CC..  trans-133.9126.8-176.3-72-41.3000110.5T433 Y440N431-T433 HydrophobicContact CB-CG2 4.15Å; N431-T433 PolarHBondContact O-N 2.88Å; N431-Y440 WeakPolarHBondContact ND2-CD2 3.4Å; N431-Y440 WeakPolarHBondContact ND2-CE2 3.5Å
432N85.8Confident88.2Confident28 Ų2840 Ų4015%0.1519%0.189CC..  trans-95.379.5175.9-172.931.4000109.6N492 V493 I494N432-N492 WeakPolarHBondContact CB-O 3.37Å; N432-N492 PolarHBondContact ND2-O 3.36Å; N432-V493 WeakPolarHBondContact ND2-CG2 3.4Å; N432-V493 CarbonylContact O-C 3.55Å; N432-V493 VanDerWaalsContact O-CA 3.27Å; N432-V493 WeakPolarHBondContact O-CA 3.43Å; N432-I494 PolarHBondContact O-N 2.8Å
433T89.3Confident88.1Confident5 Ų536.4 Ų36.43%0.03117%0.172CC..BIsolated β-bridgetrans-94.7156.1-176.4500000112.7Y426 N431 F435 I494Y426-T433 WeakPolarHBondContact CE1-O 3.31Å; N431-T433 HydrophobicContact CB-CG2 4.15Å; N431-T433 PolarHBondContact O-N 2.88Å; T433-F435 VanDerWaalsContact C-N 3.35Å; T433-F435 WeakPolarHBondContact CB-O 3.24Å; T433-F435 HydrophobicContact CG2-CD1 4.43Å; T433-F435 HydrophobicContact CG2-CE1 3.68Å; T433-F435 HydrophobicContact CG2-CE2 4.22Å; T433-F435 HydrophobicContact CG2-CZ 3.57Å; T433-F435 PolarHBondContact OG1-O 3.42Å; T433-I494 WeakPolarHBondContact CA-O 3.43Å; T433-I494 HydrophobicContact CG2-CB 4.44Å
434V88.9Confident88.1Confident24 Ų2445.2 Ų45.215%0.14521%0.205CC..SBendtrans-70.7-34.4170.3-175.80000111.1Y426 E464 F466 V493 I494 P495Y426-V434 PolarHBondContact OH-O 3.39Å; V434-E464 HydrophobicContact CG1-CB 4Å; V434-F466 HydrophobicContact CG2-CE2 4.18Å; V434-F466 HydrophobicContact CG2-CZ 4.48Å; V434-V493 HydrophobicContact CB-CG1 4.43Å; V434-V493 HydrophobicContact CG2-CG1 3.52Å; V434-I494 PolarHBondContact N-O 2.94Å; V434-I494 VanDerWaalsContact N-O 3.11Å; V434-P495 HydrophobicContact CG2-CB 4.45Å
435F91.4Very high88.2Confident1 Ų145.4 Ų45.40%0.00421%0.206CC..SBendtrans-92.6154.6179.460.5-85.8000111.9Y426 T433 L439 K461 F496 F499Y426-F435 VanDerWaalsContact CE1-O 3.24Å; Y426-F435 WeakPolarHBondContact CE1-O 3.3Å; T433-F435 VanDerWaalsContact C-N 3.35Å; T433-F435 WeakPolarHBondContact CB-O 3.24Å; T433-F435 HydrophobicContact CG2-CD1 4.43Å; T433-F435 HydrophobicContact CG2-CE1 3.68Å; T433-F435 HydrophobicContact CG2-CE2 4.22Å; T433-F435 HydrophobicContact CG2-CZ 3.57Å; T433-F435 PolarHBondContact OG1-O 3.42Å; F435-L439 HydrophobicContact CD2-CB 4.11Å; F435-L439 HydrophobicContact CD2-CD2 3.87Å; F435-L439 HydrophobicContact CD2-CG 4.45Å; F435-L439 HydrophobicContact CE2-CB 4.23Å; F435-L439 HydrophobicContact CE2-CD2 4.09Å; F435-L439 HydrophobicContact CE2-CG 4.39Å; F435-K461 HydrophobicContact CB-CB 4.16Å; F435-F496 HydrophobicContact CD1-CB 3.79Å; F435-F496 HydrophobicContact CD1-CD2 4.33Å; F435-F496 HydrophobicContact CE1-CB 3.85Å; F435-F496 HydrophobicContact CE1-CD2 4.05Å; F435-F496 HydrophobicContact CE1-CG 4.48Å; F435-F496 HydrophobicContact CZ-CD2 4.14Å; F435-F499 HydrophobicContact CE1-CB 4.22Å; F435-F499 HydrophobicContact CE1-CD1 4.32Å; F435-F499 HydrophobicContact CE1-CG 4.39Å; F435-F499 HydrophobicContact CE2-CD1 4.41Å; F435-F499 HydrophobicContact CZ-CB 4.2Å; F435-F499 AromaticContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CE1 4.04Å; F435-F499 AromaticContact CZ-CG 3.87Å; F435-F499 HydrophobicContact CZ-CG 3.87Å
436P93.9Very high88.3Confident0 Ų048.1 Ų48.10%022%0.218CC..  trans-60152.6-179.1-20.329.2000114.1N424 Y426 A438 Y457 K461N424-P436 HydrophobicContact CB-CB 4.32Å; N424-P436 HydrophobicContact CB-CG 3.89Å; Y426-P436 HydrophobicContact CE2-CG 4.42Å; P436-A438 VanDerWaalsContact C-N 3.33Å; P436-A438 PolarHBondContact O-N 3.42Å; P436-Y457 HydrophobicContact CB-CD2 4.4Å; P436-Y457 HydrophobicContact CB-CE2 3.66Å; P436-Y457 WeakPolarHBondContact CD-OH 3.4Å; P436-Y457 HydrophobicContact CG-CE2 3.97Å; P436-Y457 PolarHBondContact O-OH 3.24Å; P436-Y457 VanDerWaalsContact O-OH 3.08Å; P436-K461 HydrophobicContact CG-CD 4.42Å
437T92.3Very high88.5Confident8 Ų848.4 Ų48.45%0.04922%0.224CC..THydrogen-bonded Turntrans-67.8-29-168.8-62.20000113.6L402 C425 Y426 F427 L439 Y440 Y441L402-T437 HydrophobicContact CD1-CG2 4.11Å; L402-T437 HydrophobicContact CD2-CG2 4.25Å; C425-T437 PolarHBondContact O-N 3.05Å; Y426-T437 WeakPolarHBondContact CA-OG1 3.35Å; F427-T437 HydrophobicContact CB-CG2 4.21Å; F427-T437 PolarHBondContact N-OG1 2.89Å; T437-L439 PolarHBondContact O-N 3.13Å; T437-L439 VanDerWaalsContact O-N 3.11Å; T437-Y440 WeakPolarHBondContact O-CB 3.47Å; T437-Y440 PolarHBondContact O-N 2.91Å; T437-Y441 HydrophobicContact CG2-CE2 3.97Å
438A93.9Very high88.8Confident0 Ų046.9 Ų46.90%022%0.218CC..Hα-helixtrans-53.4-37.3-175.300000113.9L402 I405 P436 Y440 Y441 L452 Y457L402-A438 HydrophobicContact CD2-CB 4.04Å; I405-A438 HydrophobicContact CD1-CB 3.79Å; P436-A438 VanDerWaalsContact C-N 3.33Å; P436-A438 PolarHBondContact O-N 3.42Å; A438-Y440 PolarHBondContact O-N 3.18Å; A438-Y441 PolarHBondContact O-N 3.09Å; A438-Y441 VanDerWaalsContact O-N 3.07Å; A438-L452 HydrophobicContact CB-CD1 3.98Å; A438-Y457 HydrophobicContact CB-CD2 4.29Å; A438-Y457 HydrophobicContact CB-CE2 4.08Å
439L92.2Very high89.4Confident0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-61.3-29.7179179.464.3000113.4F435 T437 Y441 C442 L443 L449 Y457 C462 F496 V512F435-L439 HydrophobicContact CD2-CB 4.11Å; F435-L439 HydrophobicContact CD2-CD2 3.87Å; F435-L439 HydrophobicContact CD2-CG 4.45Å; F435-L439 HydrophobicContact CE2-CB 4.23Å; F435-L439 HydrophobicContact CE2-CD2 4.09Å; F435-L439 HydrophobicContact CE2-CG 4.39Å; T437-L439 PolarHBondContact O-N 3.13Å; T437-L439 VanDerWaalsContact O-N 3.11Å; L439-Y441 PolarHBondContact O-N 2.99Å; L439-C442 PolarHBondContact O-N 3.17Å; L439-L443 HydrophobicContact CD1-CD2 4.12Å; L439-L443 HydrophobicContact CG-CD2 4.16Å; L439-L443 WeakPolarHBondContact O-CG 3.37Å; L439-L443 PolarHBondContact O-N 3.25Å; L439-L449 HydrophobicContact CD1-CD1 3.55Å; L439-L449 HydrophobicContact CD1-CD2 4.41Å; L439-Y457 HydrophobicContact CB-CE1 4.39Å; L439-Y457 HydrophobicContact CB-CE2 4.11Å; L439-Y457 WeakPolarHBondContact CB-OH 3.49Å; L439-C462 WeakPolarHBondContact CD2-SG 3.14Å; L439-F496 HydrophobicContact CD2-CD2 3.97Å; L439-F496 HydrophobicContact CD2-CE2 3.71Å; L439-V512 HydrophobicContact CD1-CG1 4.11Å
440Y88.1Confident90.2Very high92 Ų9238.1 Ų38.136%0.36117%0.171SC..Hα-helixtrans-56.9-35.7176.4176.2-90.9000111.6N431 T437 A438 F499N431-Y440 WeakPolarHBondContact ND2-CD2 3.4Å; N431-Y440 WeakPolarHBondContact ND2-CE2 3.5Å; T437-Y440 WeakPolarHBondContact O-CB 3.47Å; T437-Y440 PolarHBondContact O-N 2.91Å; A438-Y440 PolarHBondContact O-N 3.18Å; Y440-F499 HydrophobicContact CD2-CE1 4.34Å; Y440-F499 AromaticContact CD2-CE2 3.47Å; Y440-F499 HydrophobicContact CD2-CE2 3.47Å; Y440-F499 VanDerWaalsContact CD2-CE2 3.47Å; Y440-F499 AromaticContact CD2-CZ 3.25Å; Y440-F499 HydrophobicContact CD2-CZ 3.25Å; Y440-F499 AromaticContact CE2-CE2 3.67Å; Y440-F499 HydrophobicContact CE2-CE2 3.67Å; Y440-F499 AromaticContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CG-CZ 4.24Å
441Y91.2Very high91.2Very high46 Ų4634.7 Ų34.718%0.1815%0.153CC..Hα-helixtrans-87.1-26.8-175.8-62.2-54.9000113.7L402 R406 T437 A438 L439L402-Y441 HydrophobicContact CB-CE2 4.23Å; L402-Y441 HydrophobicContact CD2-CE2 4.35Å; R406-Y441 HydrophobicContact CB-CD1 3.81Å; R406-Y441 HydrophobicContact CB-CD2 4.17Å; R406-Y441 HydrophobicContact CB-CE1 4.06Å; R406-Y441 HydrophobicContact CB-CE2 4.38Å; R406-Y441 HydrophobicContact CB-CG 3.9Å; R406-Y441 HydrophobicContact CG-CD1 3.68Å; R406-Y441 HydrophobicContact CG-CE1 3.77Å; R406-Y441 HydrophobicContact CG-CG 4.28Å; T437-Y441 HydrophobicContact CG2-CE2 3.97Å; A438-Y441 PolarHBondContact O-N 3.09Å; A438-Y441 VanDerWaalsContact O-N 3.07Å; L439-Y441 PolarHBondContact O-N 2.99Å
442C92.3Very high92.1Very high1 Ų132.8 Ų32.81%0.00714%0.143CC..Hα-helixtrans-10314.4-174.462.30000114.9L439 R444 D445 M448 L449 L452L439-C442 PolarHBondContact O-N 3.17Å; C442-R444 PolarHBondContact O-N 3.23Å; C442-R444 VanDerWaalsContact O-N 3.07Å; C442-D445 CarbonylContact O-C 3.53Å; C442-D445 PolarHBondContact O-N 3.48Å; C442-M448 HydrophobicContact CB-CB 4.18Å; C442-M448 HydrophobicContact CB-CG 4.03Å; C442-L449 HydrophobicContact CB-CB 4.25Å; C442-L452 HydrophobicContact CB-CD1 4.47Å
443L91Very high92.5Very high9 Ų931.5 Ų31.55%0.04714%0.137CC..SBendtrans-56.5-27.7179.2-70.7-176.4000114.3L439 F499 L505 L508 V512L439-L443 HydrophobicContact CD1-CD2 4.12Å; L439-L443 HydrophobicContact CG-CD2 4.16Å; L439-L443 WeakPolarHBondContact O-CG 3.37Å; L439-L443 PolarHBondContact O-N 3.25Å; L443-F499 HydrophobicContact CD1-CE1 3.7Å; L443-F499 HydrophobicContact CD1-CZ 4.05Å; L443-F499 HydrophobicContact CD2-CE1 4.49Å; L443-F499 HydrophobicContact CG-CE1 4.43Å; L443-L505 HydrophobicContact CD1-CD1 3.79Å; L443-L505 HydrophobicContact CD1-CD2 3.65Å; L443-L505 HydrophobicContact CD1-CG 4.24Å; L443-L508 HydrophobicContact CB-CD1 4.16Å; L443-V512 HydrophobicContact CD2-CG1 4.1Å; L443-V512 HydrophobicContact CD2-CG2 4.04Å; L443-V512 WeakPolarHBondContact O-CG2 3.48Å
444R91.8Very high92.5Very high189 Ų18933.3 Ų33.371%0.71315%0.146SC*.SBendtrans-97.8-21.1177.6-65.7-177.7178.3-146.9-2.1113C442 L508C442-R444 PolarHBondContact O-N 3.23Å; C442-R444 VanDerWaalsContact O-N 3.07Å; R444-L508 HydrophobicContact CG-CD1 3.62Å; R444-L508 HydrophobicContact CG-CD2 4.42Å
445D94.4Very high92.6Very high24 Ų2432.6 Ų32.613%0.12814%0.142CC..  trans-104.391.7-175.9-173-17000109.2Y410 C442 D447 M448 L449Y410-D445 PolarHBondContact OH-OD1 3.45Å; Y410-D445 PolarHBondContact OH-OD2 3.44Å; C442-D445 CarbonylContact O-C 3.53Å; C442-D445 PolarHBondContact O-N 3.48Å; D445-D447 VanDerWaalsContact C-N 3.26Å; D445-D447 PolarHBondContact O-N 2.96Å; D445-D447 PolarHBondContact OD1-N 3.31Å; D445-D447 VanDerWaalsContact OD1-N 3.12Å; D445-M448 HydrophobicContact CB-CB 4.01Å; D445-M448 VanDerWaalsContact CG-CB 3.4Å; D445-M448 PolarHBondContact OD1-N 2.7Å; D445-M448 WeakPolarHBondContact OD2-CB 3.44Å; D445-L449 WeakPolarHBondContact O-CB 3.49Å; D445-L449 PolarHBondContact O-N 3.32Å
446H93.4Very high92.5Very high60 Ų6033.7 Ų33.728%0.27815%0.154SC..Hα-helixtrans-67.2-26.7-178-63164.6000112.9R450 S511 I515H446-R450 WeakPolarHBondContact O-CB 3.44Å; H446-R450 WeakPolarHBondContact O-CG 3.26Å; H446-R450 PolarHBondContact O-N 3.08Å; H446-S511 PolarHBondContact CE1-OG 3.34Å; H446-S511 PolarHBondContact NE2-OG 3.04Å; H446-I515 HydrophobicContact CB-CD1 3.7Å
447D92.9Very high92.5Very high74 Ų7434.2 Ų34.240%0.39616%0.156SC..Hα-helixtrans-80.2-42-177.7-63.4-31.3000110.2Y410 D445 L449 R450 L451Y410-D447 HydrophobicContact CE1-CB 4.26Å; D445-D447 VanDerWaalsContact C-N 3.26Å; D445-D447 PolarHBondContact O-N 2.96Å; D445-D447 PolarHBondContact OD1-N 3.31Å; D445-D447 VanDerWaalsContact OD1-N 3.12Å; D447-L449 VanDerWaalsContact C-N 3.32Å; D447-L449 PolarHBondContact O-N 3.41Å; D447-R450 PolarHBondContact O-N 3.42Å; D447-R450 IonicContact OD1-NH1 2.97Å; D447-R450 PolarHBondContact OD1-NH1 3.09Å; D447-L451 WeakPolarHBondContact O-CB 3.43Å; D447-L451 PolarHBondContact O-N 2.73Å
448M95.2Very high92.5Very high1 Ų137 Ų371%0.00517%0.168CC..Hα-helixtrans-60.3-42167.5-17565.768.800111.4I405 Y410 V413 C442 D445 R450 L451 L452I405-M448 HydrophobicContact CG1-SD 4.39Å; I405-M448 HydrophobicContact CG2-CG 4.13Å; Y410-M448 HydrophobicContact CD1-CE 3.88Å; Y410-M448 HydrophobicContact CD2-CE 3.84Å; Y410-M448 HydrophobicContact CE1-CB 4.11Å; Y410-M448 HydrophobicContact CE1-CE 3.94Å; Y410-M448 HydrophobicContact CE2-CE 3.84Å; Y410-M448 HydrophobicContact CG-CE 3.85Å; Y410-M448 PolarHBondContact OH-N 2.88Å; V413-M448 HydrophobicContact CB-SD 4.33Å; V413-M448 HydrophobicContact CG1-SD 4.11Å; V413-M448 HydrophobicContact CG2-CE 4.14Å; V413-M448 HydrophobicContact CG2-SD 4.02Å; C442-M448 HydrophobicContact CB-CB 4.18Å; C442-M448 HydrophobicContact CB-CG 4.03Å; D445-M448 HydrophobicContact CB-CB 4.01Å; D445-M448 VanDerWaalsContact CG-CB 3.4Å; D445-M448 PolarHBondContact OD1-N 2.7Å; D445-M448 WeakPolarHBondContact OD2-CB 3.44Å; M448-R450 PolarHBondContact O-N 2.87Å; M448-L451 WeakPolarHBondContact O-CB 3.44Å; M448-L451 PolarHBondContact O-N 3.07Å; M448-L451 HydrophobicContact SD-CD2 4.07Å; M448-L452 HydrophobicContact CG-CD1 4.19Å; M448-L452 VanDerWaalsContact O-CG 3.24Å; M448-L452 WeakPolarHBondContact O-CG 3.36Å; M448-L452 PolarHBondContact O-N 3.34Å
449L95.4Very high92.5Very high1 Ų137.1 Ų37.11%0.00517%0.169CC..Hα-helixtrans-58.8-47.4175.4175.157.6000111.6L439 C442 D445 D447 L452 L453 V512 I515L439-L449 HydrophobicContact CD1-CD1 3.55Å; L439-L449 HydrophobicContact CD1-CD2 4.41Å; C442-L449 HydrophobicContact CB-CB 4.25Å; D445-L449 WeakPolarHBondContact O-CB 3.49Å; D445-L449 PolarHBondContact O-N 3.32Å; D447-L449 VanDerWaalsContact C-N 3.32Å; D447-L449 PolarHBondContact O-N 3.41Å; L449-L452 PolarHBondContact O-N 3.49Å; L449-L453 HydrophobicContact CD1-CD1 3.71Å; L449-L453 HydrophobicContact CD1-CG 4.05Å; L449-L453 HydrophobicContact CG-CD1 3.72Å; L449-L453 HydrophobicContact CG-CG 4.49Å; L449-L453 WeakPolarHBondContact O-CB 3.43Å; L449-L453 WeakPolarHBondContact O-CD1 3.36Å; L449-L453 WeakPolarHBondContact O-CG 3.42Å; L449-L453 PolarHBondContact O-N 2.9Å; L449-V512 HydrophobicContact CD2-CG1 4.14Å; L449-V512 HydrophobicContact CD2-CG2 4.49Å; L449-I515 HydrophobicContact CD2-CB 4.21Å; L449-I515 HydrophobicContact CD2-CD1 4.15Å; L449-I515 HydrophobicContact CD2-CG2 3.97Å; L449-I515 HydrophobicContact CG-CG2 4.16Å
450R94.3Very high92.5Very high99 Ų9941.2 Ų41.237%0.37419%0.189SC..Hα-helixtrans-62.5-41.4176.3-76.9-176.8-174.8105.10.4112H446 D447 M448 L452 L453 N454 I515H446-R450 WeakPolarHBondContact O-CB 3.44Å; H446-R450 WeakPolarHBondContact O-CG 3.26Å; H446-R450 PolarHBondContact O-N 3.08Å; D447-R450 PolarHBondContact O-N 3.42Å; D447-R450 IonicContact OD1-NH1 2.97Å; D447-R450 PolarHBondContact OD1-NH1 3.09Å; M448-R450 PolarHBondContact O-N 2.87Å; R450-L452 PolarHBondContact O-N 3.27Å; R450-L453 PolarHBondContact O-N 2.99Å; R450-N454 VanDerWaalsContact O-CB 3.26Å; R450-N454 WeakPolarHBondContact O-CB 3.23Å; R450-N454 PolarHBondContact O-N 2.87Å; R450-N454 PolarHBondContact O-ND2 3.08Å; R450-I515 HydrophobicContact CG-CG2 4.07Å
451L93.3Very high92.6Very high25 Ų2538.8 Ų38.813%0.13118%0.18CC..Hα-helixtrans-55.3-51.6174.4176.563.2000110.8Y410 V413 K414 D447 M448 L453 N454 S455Y410-L451 HydrophobicContact CD1-CD2 4.12Å; V413-L451 HydrophobicContact CB-CD2 4.31Å; V413-L451 HydrophobicContact CG1-CD2 3.83Å; K414-L451 HydrophobicContact CG-CD1 4.08Å; K414-L451 HydrophobicContact CG-CD2 4.09Å; D447-L451 WeakPolarHBondContact O-CB 3.43Å; D447-L451 PolarHBondContact O-N 2.73Å; M448-L451 WeakPolarHBondContact O-CB 3.44Å; M448-L451 PolarHBondContact O-N 3.07Å; M448-L451 HydrophobicContact SD-CD2 4.07Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 PolarHBondContact O-N 3.21Å; L451-N454 WeakPolarHBondContact O-CB 3.48Å; L451-N454 PolarHBondContact O-N 3.01Å; L451-S455 WeakPolarHBondContact O-CB 3.24Å; L451-S455 PolarHBondContact O-N 2.95Å; L451-S455 PolarHBondContact O-OG 3.26Å; L451-S455 VanDerWaalsContact O-OG 3.12Å
452L94Very high92.7Very high1 Ų136.7 Ų36.71%0.00517%0.172CC..Hα-helixtrans-63.8-38.5-179.4-62.1168.9000112.5I405 V413 V423 A438 C442 M448 L449 R450 S455 G456 Y457I405-L452 HydrophobicContact CD1-CD1 4.02Å; I405-L452 HydrophobicContact CD1-CD2 3.55Å; I405-L452 HydrophobicContact CD1-CG 4.44Å; I405-L452 HydrophobicContact CG1-CD1 4.4Å; I405-L452 HydrophobicContact CG1-CD2 4.02Å; I405-L452 HydrophobicContact CG2-CD1 4.2Å; V413-L452 HydrophobicContact CG1-CD2 4.09Å; V423-L452 HydrophobicContact CG2-CB 4.04Å; V423-L452 HydrophobicContact CG2-CD2 3.63Å; V423-L452 HydrophobicContact CG2-CG 4.39Å; A438-L452 HydrophobicContact CB-CD1 3.98Å; C442-L452 HydrophobicContact CB-CD1 4.47Å; M448-L452 HydrophobicContact CG-CD1 4.19Å; M448-L452 VanDerWaalsContact O-CG 3.24Å; M448-L452 WeakPolarHBondContact O-CG 3.36Å; M448-L452 PolarHBondContact O-N 3.34Å; L449-L452 PolarHBondContact O-N 3.49Å; R450-L452 PolarHBondContact O-N 3.27Å; L452-S455 CarbonylContact O-C 3.52Å; L452-S455 WeakPolarHBondContact O-CA 3.11Å; L452-S455 PolarHBondContact O-N 3.5Å; L452-S455 VanDerWaalsContact O-N 3.16Å; L452-G456 PolarHBondContact O-N 2.98Å; L452-Y457 WeakPolarHBondContact O-CB 3.25Å; L452-Y457 PolarHBondContact O-N 2.87Å
453L92.7Very high92.6Very high2 Ų238 Ų381%0.0118%0.177CC..Hα-helixtrans-66.8-43.3175.8-71.1165.1000112.3L449 R450 L451 S455 G456 Y457 A459 I515 L516 Y519 R561L449-L453 HydrophobicContact CD1-CD1 3.71Å; L449-L453 HydrophobicContact CD1-CG 4.05Å; L449-L453 HydrophobicContact CG-CD1 3.72Å; L449-L453 HydrophobicContact CG-CG 4.49Å; L449-L453 WeakPolarHBondContact O-CB 3.43Å; L449-L453 WeakPolarHBondContact O-CD1 3.36Å; L449-L453 WeakPolarHBondContact O-CG 3.42Å; L449-L453 PolarHBondContact O-N 2.9Å; R450-L453 PolarHBondContact O-N 2.99Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 PolarHBondContact O-N 3.21Å; L453-S455 PolarHBondContact O-N 2.86Å; L453-G456 PolarHBondContact O-N 2.75Å; L453-G456 VanDerWaalsContact O-N 3.14Å; L453-Y457 HydrophobicContact CD2-CD1 3.78Å; L453-Y457 HydrophobicContact CD2-CG 4.39Å; L453-A459 HydrophobicContact CD2-CB 3.73Å; L453-I515 HydrophobicContact CD1-CG2 3.67Å; L453-L516 HydrophobicContact CD1-CD2 4.22Å; L453-L516 HydrophobicContact CD2-CD2 3.93Å; L453-Y519 HydrophobicContact CB-CD1 3.68Å; L453-Y519 HydrophobicContact CB-CD2 3.87Å; L453-Y519 HydrophobicContact CB-CE1 3.53Å; L453-Y519 HydrophobicContact CB-CE2 3.76Å; L453-Y519 HydrophobicContact CB-CG 3.83Å; L453-Y519 HydrophobicContact CD1-CD2 3.63Å; L453-Y519 HydrophobicContact CD1-CE2 3.66Å; L453-Y519 HydrophobicContact CD1-CG 4.27Å; L453-Y519 HydrophobicContact CD2-CD2 4.17Å; L453-Y519 HydrophobicContact CD2-CG 4.01Å; L453-Y519 HydrophobicContact CG-CD2 4.11Å; L453-Y519 HydrophobicContact CG-CE2 4.26Å; L453-Y519 HydrophobicContact CG-CG 4.27Å; L453-R561 PolarHBondContact O-NH2 3.12Å
454N90.6Very high92.5Very high42 Ų4241.8 Ų41.823%0.22520%0.195CC..Hα-helixtrans-59.9-26.6170.5-75.6-19.1000112R450 L451 Y519 R561 Y590R450-N454 VanDerWaalsContact O-CB 3.26Å; R450-N454 WeakPolarHBondContact O-CB 3.23Å; R450-N454 PolarHBondContact O-N 2.87Å; R450-N454 PolarHBondContact O-ND2 3.08Å; L451-N454 WeakPolarHBondContact O-CB 3.48Å; L451-N454 PolarHBondContact O-N 3.01Å; N454-Y519 WeakPolarHBondContact OD1-CE1 3.4Å; N454-Y519 PolarHBondContact OD1-OH 3.47Å; N454-R561 VanDerWaalsContact C-NH2 3.33Å; N454-R561 PolarHBondContact O-NH2 3.18Å; N454-Y590 WeakPolarHBondContact OD1-CD2 3.36Å
455S90.3Very high92.1Very high9 Ų933.7 Ų33.76%0.06317%0.167CC..THydrogen-bonded Turntrans-9411.3178.2-64.80000115.7L451 L452 L453 N570L451-S455 WeakPolarHBondContact O-CB 3.24Å; L451-S455 PolarHBondContact O-N 2.95Å; L451-S455 PolarHBondContact O-OG 3.26Å; L451-S455 VanDerWaalsContact O-OG 3.12Å; L452-S455 CarbonylContact O-C 3.52Å; L452-S455 WeakPolarHBondContact O-CA 3.11Å; L452-S455 PolarHBondContact O-N 3.5Å; L452-S455 VanDerWaalsContact O-N 3.16Å; L453-S455 PolarHBondContact O-N 2.86Å; S455-N570 WeakPolarHBondContact CA-OD1 3.35Å; S455-N570 WeakPolarHBondContact CB-OD1 3.25Å; S455-N570 PolarHBondContact OG-OD1 3.39Å
456G89.8Confident91.3Very high25 Ų2538 Ų3826%0.25819%0.185SC..THydrogen-bonded Turntrans9621.1171.900000115.1N424 L452 L453 Q458N424-G456 PolarHBondContact ND2-O 3.23Å; L452-G456 PolarHBondContact O-N 2.98Å; L453-G456 PolarHBondContact O-N 2.75Å; L453-G456 VanDerWaalsContact O-N 3.14Å; G456-Q458 PolarHBondContact O-N 3.31Å
457Y93.4Very high90.2Very high10 Ų1038.7 Ų38.74%0.03919%0.188CC..  trans-59.5131.8169.4-176.7-82.5000111.3V423 N424 P436 A438 L439 L452 L453 A459V423-Y457 HydrophobicContact CG2-CD2 4.32Å; N424-Y457 WeakPolarHBondContact OD1-CA 3.37Å; P436-Y457 HydrophobicContact CB-CD2 4.4Å; P436-Y457 HydrophobicContact CB-CE2 3.66Å; P436-Y457 WeakPolarHBondContact CD-OH 3.4Å; P436-Y457 HydrophobicContact CG-CE2 3.97Å; P436-Y457 PolarHBondContact O-OH 3.24Å; P436-Y457 VanDerWaalsContact O-OH 3.08Å; A438-Y457 HydrophobicContact CB-CD2 4.29Å; A438-Y457 HydrophobicContact CB-CE2 4.08Å; L439-Y457 HydrophobicContact CB-CE1 4.39Å; L439-Y457 HydrophobicContact CB-CE2 4.11Å; L439-Y457 WeakPolarHBondContact CB-OH 3.49Å; L452-Y457 WeakPolarHBondContact O-CB 3.25Å; L452-Y457 PolarHBondContact O-N 2.87Å; L453-Y457 HydrophobicContact CD2-CD1 3.78Å; L453-Y457 HydrophobicContact CD2-CG 4.39Å; Y457-A459 VanDerWaalsContact C-N 3.33Å; Y457-A459 PolarHBondContact O-N 3.36Å
458Q92.3Very high88.6Confident66 Ų6638.7 Ų38.731%0.30819%0.188SC..  trans-79.974.1-174.6-72.5174.5-2.900111.8N424 G456 H460 K461N424-Q458 WeakPolarHBondContact OD1-CB 3.27Å; N424-Q458 VanDerWaalsContact OD1-CG 3.3Å; N424-Q458 WeakPolarHBondContact OD1-CG 3.46Å; N424-Q458 PolarHBondContact OD1-N 3.38Å; G456-Q458 PolarHBondContact O-N 3.31Å; Q458-H460 PolarHBondContact O-N 3.38Å; Q458-H460 VanDerWaalsContact O-N 3.16Å; Q458-K461 HydrophobicContact CB-CD 4.08Å; Q458-K461 HydrophobicContact CB-CG 4.23Å; Q458-K461 WeakPolarHBondContact O-CB 3.26Å; Q458-K461 PolarHBondContact O-N 3.04Å; Q458-K461 VanDerWaalsContact O-N 3.14Å
459A93.5Very high86.7Confident3 Ų345.8 Ų45.83%0.02522%0.219CC..G310 helixtrans-54.8-33-179.900000114.1L453 Y457 K461 C462 F463 L516 V520L453-A459 HydrophobicContact CD2-CB 3.73Å; Y457-A459 VanDerWaalsContact C-N 3.33Å; Y457-A459 PolarHBondContact O-N 3.36Å; A459-K461 PolarHBondContact O-N 2.86Å; A459-C462 VanDerWaalsContact O-CB 3.29Å; A459-C462 WeakPolarHBondContact O-CB 3.15Å; A459-C462 PolarHBondContact O-N 3.33Å; A459-F463 WeakPolarHBondContact O-CD2 3.31Å; A459-L516 HydrophobicContact CB-CD2 3.84Å; A459-V520 HydrophobicContact CB-CG1 3.69Å
460H91.9Very high84.3Confident87 Ų8750.5 Ų50.540%0.40325%0.252SS..G310 helixtrans-58-31.4179.866.3-88.1000113Q458 C462 F463 E464 V520Q458-H460 PolarHBondContact O-N 3.38Å; Q458-H460 VanDerWaalsContact O-N 3.16Å; H460-C462 PolarHBondContact O-N 2.93Å; H460-F463 PolarHBondContact O-N 3.43Å; H460-E464 IonicContact CD2-OE1 2.75Å; H460-V520 HydrophobicContact CB-CG1 4.25Å
461K91.6Very high81.8Confident40 Ų4054.7 Ų54.717%0.17427%0.273CS..G310 helixtrans-64.7-23178-69.8-175.6162.9172.50113.3Y426 F435 P436 Q458 A459 F463 E464Y426-K461 WeakPolarHBondContact OH-CD 3.46Å; Y426-K461 PolarHBondContact OH-NZ 3.35Å; Y426-K461 VanDerWaalsContact OH-NZ 3.07Å; F435-K461 HydrophobicContact CB-CB 4.16Å; P436-K461 HydrophobicContact CG-CD 4.42Å; Q458-K461 HydrophobicContact CB-CD 4.08Å; Q458-K461 HydrophobicContact CB-CG 4.23Å; Q458-K461 WeakPolarHBondContact O-CB 3.26Å; Q458-K461 PolarHBondContact O-N 3.04Å; Q458-K461 VanDerWaalsContact O-N 3.14Å; A459-K461 PolarHBondContact O-N 2.86Å; K461-F463 PolarHBondContact O-N 3.46Å; K461-E464 PolarHBondContact O-N 3.17Å
462C92.1Very high79.2Confident3 Ų360.3 Ų60.32%0.0230%0.303CS..G310 helixtrans-69.1-14.4173.8-56.70000112.5L439 A459 H460 F496 L516L439-C462 WeakPolarHBondContact CD2-SG 3.14Å; A459-C462 VanDerWaalsContact O-CB 3.29Å; A459-C462 WeakPolarHBondContact O-CB 3.15Å; A459-C462 PolarHBondContact O-N 3.33Å; H460-C462 PolarHBondContact O-N 2.93Å; C462-F496 HydrophobicContact CB-CB 4.18Å; C462-F496 HydrophobicContact CB-CD1 4.2Å; C462-F496 HydrophobicContact CB-CD2 4.31Å; C462-F496 HydrophobicContact CB-CG 3.98Å; C462-F496 WeakPolarHBondContact O-CB 3.45Å; C462-F496 WeakPolarHBondContact O-CD1 3.44Å; C462-L516 HydrophobicContact CB-CD1 3.89Å
463F91.8Very high76.7Confident27 Ų2767.5 Ų67.512%0.11834%0.341CS..G310 helixtrans-105.70.5179.1-56.4-77.1000112.7A459 H460 K461 V513 L516 V520 I523 I525 L529A459-F463 WeakPolarHBondContact O-CD2 3.31Å; H460-F463 PolarHBondContact O-N 3.43Å; K461-F463 PolarHBondContact O-N 3.46Å; F463-V513 HydrophobicContact CE1-CG1 4.18Å; F463-V513 HydrophobicContact CZ-CG1 4.41Å; F463-L516 HydrophobicContact CE2-CB 4.06Å; F463-L516 HydrophobicContact CZ-CB 3.93Å; F463-L516 HydrophobicContact CZ-CD1 4.42Å; F463-V520 HydrophobicContact CD2-CG1 4.25Å; F463-V520 HydrophobicContact CE2-CG1 3.99Å; F463-V520 HydrophobicContact CE2-CG2 4.18Å; F463-I523 HydrophobicContact CB-CD1 4.18Å; F463-I523 HydrophobicContact CD1-CD1 3.36Å; F463-I523 HydrophobicContact CD2-CD1 3.47Å; F463-I523 VanDerWaalsContact CD2-CD1 3.47Å; F463-I523 HydrophobicContact CE1-CD1 3.4Å; F463-I523 VanDerWaalsContact CE1-CD1 3.4Å; F463-I523 HydrophobicContact CE2-CD1 3.51Å; F463-I523 HydrophobicContact CG-CD1 3.36Å; F463-I523 HydrophobicContact CZ-CD1 3.47Å; F463-I523 VanDerWaalsContact CZ-CD1 3.47Å; F463-I525 HydrophobicContact CD1-CG2 4.1Å; F463-I525 HydrophobicContact CE1-CG2 4.23Å; F463-L529 HydrophobicContact CD1-CD2 4.22Å; F463-L529 HydrophobicContact CE1-CD2 4.34Å
464E87.7Confident74.2Confident89 Ų8974.4 Ų74.442%0.41638%0.378SS..  trans-80.4120172.4-66.7180-168.400110.3V434 H460 K461V434-E464 HydrophobicContact CG1-CB 4Å; H460-E464 IonicContact CD2-OE1 2.75Å; K461-E464 PolarHBondContact O-N 3.17Å
465C83.3Confident72Confident19 Ų1977.3 Ų77.313%0.12840%0.401CS..  trans-148.2167.7173.983.10000112.5P495 C526C465-P495 HydrophobicContact CB-CB 3.78Å; C465-P495 HydrophobicContact CB-CG 4.41Å; C465-C526 WeakPolarHBondContact SG-CB 3.46Å; C465-C526 VanDerWaalsContact SG-SG 3.69Å
466F77.3Confident69.5Low116 Ų11683.3 Ų83.351%0.50944%0.438SS..SBendtrans-95.2-12.2-176.2-53-74000114.1V434 N468 K469V434-F466 HydrophobicContact CG2-CE2 4.18Å; V434-F466 HydrophobicContact CG2-CZ 4.48Å; F466-N468 VanDerWaalsContact C-N 3.3Å; F466-N468 PolarHBondContact O-N 3.02Å; F466-K469 PolarHBondContact O-N 3.48Å
467H70.1Confident66.8Low74 Ų7493.7 Ų93.734%0.34347%0.469SS..THydrogen-bonded Turntrans-61.2-30.1-172.2-66.291.8000115E498 C526H467-E498 IonicContact CE1-OE1 3.87Å; H467-E498 PolarHBondContact CE1-OE1 3.1Å; H467-E498 IonicContact NE2-OE1 3.85Å; H467-E498 PolarHBondContact NE2-OE1 2.93Å; H467-C526 HydrophobicContact CB-CB 4.49Å
468N60.3Low64.1Low73 Ų7396.4 Ų96.439%0.3949%0.487SS..THydrogen-bonded Turntrans-99.6-10.7-179-73.7-4.7000113.5F466 S470F466-N468 VanDerWaalsContact C-N 3.3Å; F466-N468 PolarHBondContact O-N 3.02Å; N468-S470 PolarHBondContact O-N 2.98Å
469K56.3Low61.8Low150 Ų15098.4 Ų98.465%0.65250%0.5SS*.THydrogen-bonded Turntrans-76.9-7.3-178.6-66.1-174179.9-179.90113.8F466F466-K469 PolarHBondContact O-N 3.48Å
470S44.5Very low59.1Low101 Ų101105.8 Ų105.871%0.70654%0.538SS*.THydrogen-bonded Turntrans-83.1-14.6177.7160.90000113.9N468N468-S470 PolarHBondContact O-N 2.98Å
471K41Very low56.6Low187 Ų187109.3 Ų109.381%0.81356%0.555SS**SBendtrans-96.9-11-174.6-74.7-171.3175.9-176.10115
472D39.6Very low54.3Low143 Ų143111.7 Ų111.777%0.76557%0.569SS**  trans-110.420.7-179.2-63.9-31.4000113.1D474D472-D474 PolarHBondContact O-N 2.87Å
473L40.9Very low51.7Low152 Ų152117.9 Ų117.980%0.79660%0.598SS**  trans-90.757.5170.1-142.783.2000110.6
474D40.1Very low49Very low147 Ų147119.3 Ų119.379%0.78662%0.615SS**SBendtrans-125.6121.5158.5-133.2-8.2000108.5D472D472-D474 PolarHBondContact O-N 2.87Å
475S45.3Very low46.7Very low102 Ų102118.5 Ų118.571%0.71362%0.618SS**SBendtrans67.485.617269.50000118.6
476T37.4Very low44.4Very low135 Ų135125.8 Ų125.883%0.82865%0.648SS**SBend164.1117.9108.730.10000111.9
477W32.1Very low42.5Very low243 Ų243126.7 Ų126.792%0.9266%0.656SS**  trans47.973.1153.8-93.481.2000118.6
478T36.7Very low41Very low67 Ų67132.8 Ų132.841%0.41168%0.677SS.*  trans-70.3141.3133.648.10000107.9N482T478-N482 HydrophobicContact CG2-CB 4.49Å
479D45.4Very low39.9Very low109 Ų109133.8 Ų133.858%0.58369%0.689SS**  175.162.2105-80.7-22.1000113.3
480L36.8Very low39.4Very low158 Ų158133.9 Ų133.983%0.82769%0.692SS**SBendtrans-146.7-32.8154.7-105.9123.8000114
481H38.8Very low39.7Very low161 Ų161134.7 Ų134.775%0.74570%0.695SS**SBendtrans-84.4-28.6177.5-146.966.9000113.2Q483 A484H481-Q483 VanDerWaalsContact C-N 3.31Å; H481-Q483 PolarHBondContact O-N 3.39Å; H481-A484 PolarHBondContact O-N 2.78Å
482N42.4Very low40.9Very low89 Ų89131.8 Ų131.848%0.47669%0.688SS.*Hα-helixtrans-79.6-8.8178.2-84.2-18.9000114.4T478 K486T478-N482 HydrophobicContact CG2-CB 4.49Å; N482-K486 PolarHBondContact O-N 3.36Å
483Q38.2Very low42.9Very low133 Ų133127.6 Ų127.662%0.62167%0.668SS**Hα-helixtrans-83.6-20.7173.2-153155.611.700112.2H481H481-Q483 VanDerWaalsContact C-N 3.31Å; H481-Q483 PolarHBondContact O-N 3.39Å
484A33.8Very low45.2Very low58 Ų58122.9 Ų122.948%0.47964%0.643SS.*Hα-helixtrans-77.3-35.9166.800000111.9H481 K486 I487H481-A484 PolarHBondContact O-N 2.78Å; A484-K486 VanDerWaalsContact C-N 3.31Å; A484-K486 PolarHBondContact O-N 3.33Å; A484-I487 PolarHBondContact O-N 3.09Å
485C39.7Very low47.6Very low72 Ų72115.9 Ų115.949%0.48661%0.605SS.*Hα-helixtrans-71.4-21.1176.2-71.50000114I487 C489C485-I487 VanDerWaalsContact C-N 3.34Å; C485-C489 PolarHBondContact O-SG 3Å; C485-C489 VanDerWaalsContact O-SG 3.38Å
486K36.4Very low49.8Very low172 Ų172111 Ų11175%0.74857%0.572SS**THydrogen-bonded Turntrans-81.5-6.3173.2-83.5-179177175.80114.4N482 A484N482-K486 PolarHBondContact O-N 3.36Å; A484-K486 VanDerWaalsContact C-N 3.31Å; A484-K486 PolarHBondContact O-N 3.33Å
487I37Very low52.4Low134 Ų134104.8 Ų104.869%0.68753%0.533SS*.SBendtrans-95.3-11.7176.1-64.4173.5000111.8A484 C485A484-I487 PolarHBondContact O-N 3.09Å; C485-I487 VanDerWaalsContact C-N 3.34Å
488Y38.7Very low55.1Low202 Ų20297.1 Ų97.179%0.79251%0.508SS*.SBendtrans-118.317.4176.9-71.3-77.3000114.9Q490Y488-Q490 PolarHBondContact O-N 3.35Å
489C37.2Very low57.6Low95 Ų9594.8 Ų94.864%0.64249%0.492SS*.  trans-64.696.8169.8-71.80000110.7C485C485-C489 PolarHBondContact O-SG 3Å; C485-C489 VanDerWaalsContact O-SG 3.38Å
490Q46.3Very low59.7Low152 Ų15289.7 Ų89.771%0.7147%0.465SS*.  trans-66.9128.9162.1-72.6-108.1-23.500108.8Y488 N492Y488-Q490 PolarHBondContact O-N 3.35Å; Q490-N492 VanDerWaalsContact C-N 3.3Å; Q490-N492 PolarHBondContact O-N 3.23Å; Q490-N492 VanDerWaalsContact O-N 3.12Å
491P49.7Very low62.1Low117 Ų11784.2 Ų84.276%0.7644%0.44SS*.SBendtrans-72.2-5.8-163.8-18.331.4000117.3
492N66.9Low64.4Low126 Ų12679.3 Ų79.367%0.67442%0.421SS*.  trans-138.164.6-165.6-69.6-21.9000112.9N432 Q490N432-N492 WeakPolarHBondContact CB-O 3.37Å; N432-N492 PolarHBondContact ND2-O 3.36Å; Q490-N492 VanDerWaalsContact C-N 3.3Å; Q490-N492 PolarHBondContact O-N 3.23Å; Q490-N492 VanDerWaalsContact O-N 3.12Å
493V82Confident66Low55 Ų5580.1 Ų80.133%0.33343%0.433SS..PPolyproline II helixtrans-100119.6171.2-170.10000109.8N432 V434 P495N432-V493 WeakPolarHBondContact ND2-CG2 3.4Å; N432-V493 CarbonylContact O-C 3.55Å; N432-V493 VanDerWaalsContact O-CA 3.27Å; N432-V493 WeakPolarHBondContact O-CA 3.43Å; V434-V493 HydrophobicContact CB-CG1 4.43Å; V434-V493 HydrophobicContact CG2-CG1 3.52Å; V493-P495 WeakPolarHBondContact O-CD 3.26Å
494I87.3Confident68.1Low54 Ų5482.2 Ų82.228%0.27744%0.436SS..BIsolated β-bridgetrans-90.8116.3-172.8-56169.1000110N432 T433 V434 E498 F499N432-I494 PolarHBondContact O-N 2.8Å; T433-I494 WeakPolarHBondContact CA-O 3.43Å; T433-I494 HydrophobicContact CG2-CB 4.44Å; V434-I494 PolarHBondContact N-O 2.94Å; V434-I494 VanDerWaalsContact N-O 3.11Å; I494-E498 HydrophobicContact CG2-CB 4.09Å; I494-F499 HydrophobicContact CG2-CB 4.01Å
495P90.9Very high70.7Confident0 Ų080.5 Ų80.50%042%0.418CS..PPolyproline II helixtrans-73.9155.2170.631.8-34.2000110.9V434 C465 V493 C497 E498 F499V434-P495 HydrophobicContact CG2-CB 4.45Å; C465-P495 HydrophobicContact CB-CB 3.78Å; C465-P495 HydrophobicContact CB-CG 4.41Å; V493-P495 WeakPolarHBondContact O-CD 3.26Å; P495-C497 VanDerWaalsContact C-N 3.26Å; P495-C497 PolarHBondContact O-N 3.27Å; P495-E498 HydrophobicContact CG-CB 4.06Å; P495-E498 HydrophobicContact CG-CG 3.83Å; P495-E498 WeakPolarHBondContact CG-OE1 3.49Å; P495-E498 PolarHBondContact O-N 3.23Å; P495-F499 PolarHBondContact O-N 3.5Å
496F91.8Very high72.9Confident0 Ų078.4 Ų78.40%041%0.406CS..Hα-helixtrans-55.1-39.3-178.6179.7-106.4000113.3F435 L439 C462 E498 F499 V500 V512 V513 L516 L529F435-F496 HydrophobicContact CD1-CB 3.79Å; F435-F496 HydrophobicContact CD1-CD2 4.33Å; F435-F496 HydrophobicContact CE1-CB 3.85Å; F435-F496 HydrophobicContact CE1-CD2 4.05Å; F435-F496 HydrophobicContact CE1-CG 4.48Å; F435-F496 HydrophobicContact CZ-CD2 4.14Å; L439-F496 HydrophobicContact CD2-CD2 3.97Å; L439-F496 HydrophobicContact CD2-CE2 3.71Å; C462-F496 HydrophobicContact CB-CB 4.18Å; C462-F496 HydrophobicContact CB-CD1 4.2Å; C462-F496 HydrophobicContact CB-CD2 4.31Å; C462-F496 HydrophobicContact CB-CG 3.98Å; C462-F496 WeakPolarHBondContact O-CB 3.45Å; C462-F496 WeakPolarHBondContact O-CD1 3.44Å; F496-E498 VanDerWaalsContact C-N 3.29Å; F496-E498 PolarHBondContact O-N 2.97Å; F496-F499 HydrophobicContact CD2-CD1 4.33Å; F496-F499 WeakPolarHBondContact O-CB 3.24Å; F496-F499 PolarHBondContact O-N 2.95Å; F496-F499 VanDerWaalsContact O-N 3.13Å; F496-V500 HydrophobicContact CD1-CG1 4.48Å; F496-V500 HydrophobicContact CD2-CG1 4.05Å; F496-V500 HydrophobicContact CE1-CG1 3.97Å; F496-V500 HydrophobicContact CE1-CG2 4.25Å; F496-V500 HydrophobicContact CE2-CG1 3.49Å; F496-V500 VanDerWaalsContact CE2-CG1 3.49Å; F496-V500 HydrophobicContact CZ-CG1 3.45Å; F496-V500 VanDerWaalsContact CZ-CG1 3.45Å; F496-V500 WeakPolarHBondContact O-CG2 3.36Å; F496-V500 PolarHBondContact O-N 3.4Å; F496-V512 HydrophobicContact CE2-CG1 4.5Å; F496-V512 HydrophobicContact CZ-CG1 4.04Å; F496-V513 HydrophobicContact CE1-CG2 3.73Å; F496-V513 HydrophobicContact CZ-CG2 4.33Å; F496-L516 HydrophobicContact CZ-CD1 4.27Å; F496-L529 HydrophobicContact CD1-CD1 4.46Å; F496-L529 HydrophobicContact CE1-CD1 4.35Å
497C91.5Very high75.4Confident4 Ų475.6 Ų75.63%0.02740%0.396CS..Hα-helixtrans-60.4-36.317961.60000113.3P495 S501 C526 L529 I532P495-C497 VanDerWaalsContact C-N 3.26Å; P495-C497 PolarHBondContact O-N 3.27Å; C497-S501 PolarHBondContact O-N 3.2Å; C497-S501 PolarHBondContact O-OG 3.49Å; C497-C526 VanDerWaalsContact SG-SG 3.7Å; C497-L529 HydrophobicContact CB-CB 3.8Å; C497-I532 WeakPolarHBondContact O-CD1 3.29Å
498E89.7Confident78.1Confident82 Ų8270.3 Ų70.338%0.38337%0.368SS..Hα-helixtrans-75-41174.2-75.5174.1-148.300110.7H467 I494 P495 F496 V500 S501H467-E498 IonicContact CE1-OE1 3.87Å; H467-E498 PolarHBondContact CE1-OE1 3.1Å; H467-E498 IonicContact NE2-OE1 3.85Å; H467-E498 PolarHBondContact NE2-OE1 2.93Å; I494-E498 HydrophobicContact CG2-CB 4.09Å; P495-E498 HydrophobicContact CG-CB 4.06Å; P495-E498 HydrophobicContact CG-CG 3.83Å; P495-E498 WeakPolarHBondContact CG-OE1 3.49Å; P495-E498 PolarHBondContact O-N 3.23Å; F496-E498 VanDerWaalsContact C-N 3.29Å; F496-E498 PolarHBondContact O-N 2.97Å; E498-V500 PolarHBondContact O-N 3.4Å; E498-S501 VanDerWaalsContact O-CB 3.25Å; E498-S501 WeakPolarHBondContact O-CB 3.45Å; E498-S501 PolarHBondContact O-N 3.25Å
499F88.8Confident80.6Confident18 Ų1860.7 Ų60.78%0.07933%0.331CS..Hα-helixtrans-57.1-46.8178.3177.2-112.5000112.5F435 Y440 L443 I494 P495 F496 S501 L505F435-F499 HydrophobicContact CE1-CB 4.22Å; F435-F499 HydrophobicContact CE1-CD1 4.32Å; F435-F499 HydrophobicContact CE1-CG 4.39Å; F435-F499 HydrophobicContact CE2-CD1 4.41Å; F435-F499 HydrophobicContact CZ-CB 4.2Å; F435-F499 AromaticContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CE1 4.04Å; F435-F499 AromaticContact CZ-CG 3.87Å; F435-F499 HydrophobicContact CZ-CG 3.87Å; Y440-F499 HydrophobicContact CD2-CE1 4.34Å; Y440-F499 AromaticContact CD2-CE2 3.47Å; Y440-F499 HydrophobicContact CD2-CE2 3.47Å; Y440-F499 VanDerWaalsContact CD2-CE2 3.47Å; Y440-F499 AromaticContact CD2-CZ 3.25Å; Y440-F499 HydrophobicContact CD2-CZ 3.25Å; Y440-F499 AromaticContact CE2-CE2 3.67Å; Y440-F499 HydrophobicContact CE2-CE2 3.67Å; Y440-F499 AromaticContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CG-CZ 4.24Å; L443-F499 HydrophobicContact CD1-CE1 3.7Å; L443-F499 HydrophobicContact CD1-CZ 4.05Å; L443-F499 HydrophobicContact CD2-CE1 4.49Å; L443-F499 HydrophobicContact CG-CE1 4.43Å; I494-F499 HydrophobicContact CG2-CB 4.01Å; P495-F499 PolarHBondContact O-N 3.5Å; F496-F499 HydrophobicContact CD2-CD1 4.33Å; F496-F499 WeakPolarHBondContact O-CB 3.24Å; F496-F499 PolarHBondContact O-N 2.95Å; F496-F499 VanDerWaalsContact O-N 3.13Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 2.96Å; F499-L505 HydrophobicContact CD1-CD1 4.39Å; F499-L505 HydrophobicContact CD2-CD1 4.45Å; F499-L505 HydrophobicContact CE1-CD1 3.94Å; F499-L505 HydrophobicContact CE2-CD1 3.93Å; F499-L505 HydrophobicContact CZ-CD1 3.62Å
500V89.9Confident83.4Confident2 Ų256.2 Ų56.21%0.01230%0.3CS..THydrogen-bonded Turntrans-81.8-3.8176.8-55.90000114F496 E498 V502 A506 A509 L529 I532F496-V500 HydrophobicContact CD1-CG1 4.48Å; F496-V500 HydrophobicContact CD2-CG1 4.05Å; F496-V500 HydrophobicContact CE1-CG1 3.97Å; F496-V500 HydrophobicContact CE1-CG2 4.25Å; F496-V500 HydrophobicContact CE2-CG1 3.49Å; F496-V500 VanDerWaalsContact CE2-CG1 3.49Å; F496-V500 HydrophobicContact CZ-CG1 3.45Å; F496-V500 VanDerWaalsContact CZ-CG1 3.45Å; F496-V500 WeakPolarHBondContact O-CG2 3.36Å; F496-V500 PolarHBondContact O-N 3.4Å; E498-V500 PolarHBondContact O-N 3.4Å; V500-V502 PolarHBondContact O-N 2.85Å; V500-A506 VanDerWaalsContact O-CA 3.28Å; V500-A506 WeakPolarHBondContact O-CA 3.28Å; V500-A506 PolarHBondContact O-N 2.91Å; V500-A509 HydrophobicContact CB-CB 4.06Å; V500-A509 HydrophobicContact CG2-CB 4Å; V500-L529 HydrophobicContact CG2-CD1 3.94Å; V500-I532 HydrophobicContact CG2-CD1 4.15Å
501S87.2Confident85.7Confident43 Ų4349.8 Ų49.830%0.30127%0.273SS..THydrogen-bonded Turntrans-70.3-17.9175.4-680000113C497 E498 F499 N528 I532C497-S501 PolarHBondContact O-N 3.2Å; C497-S501 PolarHBondContact O-OG 3.49Å; E498-S501 VanDerWaalsContact O-CB 3.25Å; E498-S501 WeakPolarHBondContact O-CB 3.45Å; E498-S501 PolarHBondContact O-N 3.25Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 2.96Å; S501-N528 PolarHBondContact OG-ND2 3.4Å; S501-I532 VanDerWaalsContact OG-CD1 3.23Å; S501-I532 WeakPolarHBondContact OG-CD1 3.46Å
502V86.1Confident87.9Confident58 Ų5844.3 Ų44.335%0.35224%0.237SC..SBendtrans-66.1136.3-179.1-174.10000109.7V500 W504 L505 A506V500-V502 PolarHBondContact O-N 2.85Å; V502-W504 VanDerWaalsContact C-N 3.27Å; V502-W504 HydrophobicContact CG1-CD2 3.87Å; V502-W504 HydrophobicContact CG1-CE3 4.45Å; V502-W504 HydrophobicContact CG1-CG 4.24Å; V502-W504 HydrophobicContact CG1-CH2 4.47Å; V502-W504 HydrophobicContact CG1-CZ2 3.88Å; V502-W504 PolarHBondContact O-N 3.43Å; V502-W504 VanDerWaalsContact O-N 3.12Å; V502-L505 PolarHBondContact O-N 2.95Å; V502-A506 PolarHBondContact O-N 2.96Å
503S77.5Confident89.2Confident105 Ų10538.3 Ų38.373%0.73421%0.205SC*.THydrogen-bonded Turntrans-54-37.7-169.651.70000114.3L505S503-L505 VanDerWaalsContact C-N 3.34Å
504W82.7Confident89.9Confident178 Ų17838.1 Ų38.167%0.67420%0.198SC*.THydrogen-bonded Turntrans-80.4-8.417963.458.4000114.2V502 H507V502-W504 VanDerWaalsContact C-N 3.27Å; V502-W504 HydrophobicContact CG1-CD2 3.87Å; V502-W504 HydrophobicContact CG1-CE3 4.45Å; V502-W504 HydrophobicContact CG1-CG 4.24Å; V502-W504 HydrophobicContact CG1-CH2 4.47Å; V502-W504 HydrophobicContact CG1-CZ2 3.88Å; V502-W504 PolarHBondContact O-N 3.43Å; V502-W504 VanDerWaalsContact O-N 3.12Å; W504-H507 PolarHBondContact O-CE1 3.12Å; W504-H507 PolarHBondContact O-ND1 2.99Å
505L86.6Confident90.2Very high21 Ų2135.9 Ų35.911%0.1119%0.187CC..THydrogen-bonded Turntrans-108.5-23.5175.4-67.8-174.1000113.1L443 F499 V502 S503 H507 L508 A509L443-L505 HydrophobicContact CD1-CD1 3.79Å; L443-L505 HydrophobicContact CD1-CD2 3.65Å; L443-L505 HydrophobicContact CD1-CG 4.24Å; F499-L505 HydrophobicContact CD1-CD1 4.39Å; F499-L505 HydrophobicContact CD2-CD1 4.45Å; F499-L505 HydrophobicContact CE1-CD1 3.94Å; F499-L505 HydrophobicContact CE2-CD1 3.93Å; F499-L505 HydrophobicContact CZ-CD1 3.62Å; V502-L505 PolarHBondContact O-N 2.95Å; S503-L505 VanDerWaalsContact C-N 3.34Å; L505-H507 PolarHBondContact O-N 2.91Å; L505-L508 HydrophobicContact CD2-CD1 4.25Å; L505-L508 WeakPolarHBondContact O-CB 3.48Å; L505-L508 PolarHBondContact O-N 3.04Å; L505-A509 PolarHBondContact O-N 3.44Å
506A87.5Confident90.4Very high28 Ų2835.9 Ų35.923%0.23119%0.187CC..G310 helixtrans-54.8-33.3-17300000113.8V500 V502 L508 A509 I532V500-A506 VanDerWaalsContact O-CA 3.28Å; V500-A506 WeakPolarHBondContact O-CA 3.28Å; V500-A506 PolarHBondContact O-N 2.91Å; V502-A506 PolarHBondContact O-N 2.96Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 2.92Å; A506-A509 WeakPolarHBondContact O-CB 3.38Å; A506-A509 PolarHBondContact O-N 3.29Å; A506-I532 HydrophobicContact CB-CG2 4.25Å
507H88.8Confident90.5Very high114 Ų11436 Ų3653%0.52819%0.187SC..G310 helixtrans-69.6-22.3177.670.3-84.1000114W504 L505W504-H507 PolarHBondContact O-CE1 3.12Å; W504-H507 PolarHBondContact O-ND1 2.99Å; L505-H507 PolarHBondContact O-N 2.91Å
508L92.2Very high90.6Very high22 Ų2238 Ų3812%0.11520%0.198CC..G310 helixtrans-87.9-12.4176.9-57.3174.5000112.3L443 R444 L505 A506 G510 S511 V512L443-L508 HydrophobicContact CB-CD1 4.16Å; R444-L508 HydrophobicContact CG-CD1 3.62Å; R444-L508 HydrophobicContact CG-CD2 4.42Å; L505-L508 HydrophobicContact CD2-CD1 4.25Å; L505-L508 WeakPolarHBondContact O-CB 3.48Å; L505-L508 PolarHBondContact O-N 3.04Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 2.92Å; L508-G510 VanDerWaalsContact C-N 3.31Å; L508-G510 PolarHBondContact O-N 2.75Å; L508-S511 PolarHBondContact O-OG 3.09Å; L508-V512 WeakPolarHBondContact O-CB 3.15Å; L508-V512 VanDerWaalsContact O-CG2 3.28Å; L508-V512 WeakPolarHBondContact O-CG2 3.45Å; L508-V512 PolarHBondContact O-N 3.36Å; L508-V512 VanDerWaalsContact O-N 3.15Å
509A92.9Very high90.8Very high1 Ų135.5 Ų35.51%0.00819%0.185CC..Hα-helixtrans-62.3-38.2-173.500000112.5V500 L505 A506 V513 I532 L533V500-A509 HydrophobicContact CB-CB 4.06Å; V500-A509 HydrophobicContact CG2-CB 4Å; L505-A509 PolarHBondContact O-N 3.44Å; A506-A509 WeakPolarHBondContact O-CB 3.38Å; A506-A509 PolarHBondContact O-N 3.29Å; A509-V513 VanDerWaalsContact O-CB 3.25Å; A509-V513 WeakPolarHBondContact O-CB 3.33Å; A509-V513 VanDerWaalsContact O-CG2 3.22Å; A509-V513 WeakPolarHBondContact O-CG2 3.47Å; A509-V513 PolarHBondContact O-N 3.1Å; A509-I532 HydrophobicContact CB-CG2 3.87Å; A509-L533 HydrophobicContact CB-CD2 4.13Å
510G94.4Very high90.9Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-61-60.2-179.700000111.8L508 V512 V513 R514 E538 I542L508-G510 VanDerWaalsContact C-N 3.31Å; L508-G510 PolarHBondContact O-N 2.75Å; G510-V512 PolarHBondContact O-N 3.43Å; G510-V513 PolarHBondContact O-N 3.19Å; G510-R514 WeakPolarHBondContact O-CB 3.46Å; G510-R514 PolarHBondContact O-N 2.78Å; G510-E538 WeakPolarHBondContact CA-OE2 3.25Å; G510-I542 WeakPolarHBondContact O-CD1 3.45Å
511S94.8Very high90.9Very high18 Ų1837.8 Ų37.813%0.12620%0.203CC..Hα-helixtrans-57.9-44.2179.566.10000112.8H446 L508 R514 I515H446-S511 PolarHBondContact CE1-OG 3.34Å; H446-S511 PolarHBondContact NE2-OG 3.04Å; L508-S511 PolarHBondContact O-OG 3.09Å; S511-R514 PolarHBondContact O-N 3.46Å; S511-I515 WeakPolarHBondContact O-CG1 3.48Å; S511-I515 PolarHBondContact O-N 2.93Å
512V95.5Very high90.9Very high1 Ų141.9 Ų41.91%0.00622%0.217CC..Hα-helixtrans-65.6-48.2179.61730000111.2L439 L443 L449 F496 L508 G510 R514 I515 L516L439-V512 HydrophobicContact CD1-CG1 4.11Å; L443-V512 HydrophobicContact CD2-CG1 4.1Å; L443-V512 HydrophobicContact CD2-CG2 4.04Å; L443-V512 WeakPolarHBondContact O-CG2 3.48Å; L449-V512 HydrophobicContact CD2-CG1 4.14Å; L449-V512 HydrophobicContact CD2-CG2 4.49Å; F496-V512 HydrophobicContact CE2-CG1 4.5Å; F496-V512 HydrophobicContact CZ-CG1 4.04Å; L508-V512 WeakPolarHBondContact O-CB 3.15Å; L508-V512 VanDerWaalsContact O-CG2 3.28Å; L508-V512 WeakPolarHBondContact O-CG2 3.45Å; L508-V512 PolarHBondContact O-N 3.36Å; L508-V512 VanDerWaalsContact O-N 3.15Å; G510-V512 PolarHBondContact O-N 3.43Å; V512-R514 VanDerWaalsContact C-N 3.27Å; V512-R514 PolarHBondContact O-N 3.24Å; V512-I515 PolarHBondContact O-N 3.43Å; V512-L516 HydrophobicContact CG1-CD1 3.95Å; V512-L516 HydrophobicContact CG1-CG 4.31Å; V512-L516 VanDerWaalsContact O-CG 3.28Å; V512-L516 WeakPolarHBondContact O-CG 3.24Å; V512-L516 PolarHBondContact O-N 3.43Å
513V95.9Very high91Very high0 Ų040.5 Ų40.50%021%0.207CC..Hα-helixtrans-62.1-39.9178.1167.70000110.7F463 F496 A509 G510 I515 L516 L517 L529 L533 I542F463-V513 HydrophobicContact CE1-CG1 4.18Å; F463-V513 HydrophobicContact CZ-CG1 4.41Å; F496-V513 HydrophobicContact CE1-CG2 3.73Å; F496-V513 HydrophobicContact CZ-CG2 4.33Å; A509-V513 VanDerWaalsContact O-CB 3.25Å; A509-V513 WeakPolarHBondContact O-CB 3.33Å; A509-V513 VanDerWaalsContact O-CG2 3.22Å; A509-V513 WeakPolarHBondContact O-CG2 3.47Å; A509-V513 PolarHBondContact O-N 3.1Å; G510-V513 PolarHBondContact O-N 3.19Å; V513-I515 VanDerWaalsContact C-N 3.32Å; V513-I515 PolarHBondContact O-N 2.73Å; V513-L516 PolarHBondContact O-N 2.79Å; V513-L517 HydrophobicContact CG1-CD1 4.07Å; V513-L517 HydrophobicContact CG1-CG 4.34Å; V513-L517 VanDerWaalsContact O-CG 3.3Å; V513-L517 WeakPolarHBondContact O-CG 3.31Å; V513-L517 PolarHBondContact O-N 3.04Å; V513-L529 HydrophobicContact CG2-CD1 4.36Å; V513-L533 HydrophobicContact CB-CD1 4.37Å; V513-L533 HydrophobicContact CB-CD2 4Å; V513-L533 HydrophobicContact CG1-CD1 3.93Å; V513-L533 HydrophobicContact CG1-CD2 4.41Å; V513-L533 HydrophobicContact CG2-CD1 4.29Å; V513-L533 HydrophobicContact CG2-CD2 3.95Å; V513-I542 HydrophobicContact CB-CD1 4.4Å; V513-I542 HydrophobicContact CG1-CD1 4.24Å; V513-I542 HydrophobicContact CG1-CG2 4.41Å
514R95.3Very high91.4Very high52 Ų5240.1 Ų40.120%0.19620%0.204CC..Hα-helixtrans-58-45.8176.7177.457.1-167.285.10.5111.6G510 S511 V512 L517 D518 E541 I542G510-R514 WeakPolarHBondContact O-CB 3.46Å; G510-R514 PolarHBondContact O-N 2.78Å; S511-R514 PolarHBondContact O-N 3.46Å; V512-R514 VanDerWaalsContact C-N 3.27Å; V512-R514 PolarHBondContact O-N 3.24Å; R514-L517 PolarHBondContact O-N 3.26Å; R514-D518 IonicContact CZ-OD1 3.99Å; R514-D518 IonicContact CZ-OD2 3.46Å; R514-D518 IonicContact NH1-OD1 3.91Å; R514-D518 PolarHBondContact NH1-OD1 3.15Å; R514-D518 IonicContact NH1-OD2 3.08Å; R514-D518 PolarHBondContact NH1-OD2 3.1Å; R514-D518 IonicContact NH2-OD1 3.97Å; R514-E541 IonicContact CZ-OE1 3.01Å; R514-E541 VanDerWaalsContact CZ-OE1 3.24Å; R514-E541 IonicContact NE-OE1 2.8Å; R514-E541 PolarHBondContact NE-OE1 3.41Å; R514-E541 IonicContact NE-OE2 3.24Å; R514-E541 IonicContact NH2-OE1 3.62Å; R514-E541 PolarHBondContact NH2-OE1 3.1Å; R514-I542 HydrophobicContact CB-CD1 4.3Å; R514-I542 HydrophobicContact CB-CG1 4.11Å
515I94.9Very high91.8Very high7 Ų733 Ų334%0.03618%0.179CC..Hα-helixtrans-64.2-45.6175.8-66165.8000110.8H446 L449 R450 L453 S511 V512 V513 L517 D518 Y519H446-I515 HydrophobicContact CB-CD1 3.7Å; L449-I515 HydrophobicContact CD2-CB 4.21Å; L449-I515 HydrophobicContact CD2-CD1 4.15Å; L449-I515 HydrophobicContact CD2-CG2 3.97Å; L449-I515 HydrophobicContact CG-CG2 4.16Å; R450-I515 HydrophobicContact CG-CG2 4.07Å; L453-I515 HydrophobicContact CD1-CG2 3.67Å; S511-I515 WeakPolarHBondContact O-CG1 3.48Å; S511-I515 PolarHBondContact O-N 2.93Å; V512-I515 PolarHBondContact O-N 3.43Å; V513-I515 VanDerWaalsContact C-N 3.32Å; V513-I515 PolarHBondContact O-N 2.73Å; I515-L517 PolarHBondContact O-N 3.36Å; I515-D518 WeakPolarHBondContact O-CB 3.4Å; I515-D518 PolarHBondContact O-N 3.04Å; I515-Y519 HydrophobicContact CG2-CE2 4.4Å; I515-Y519 WeakPolarHBondContact O-CD2 3.36Å
516L95.4Very high92Very high0 Ų032.4 Ų32.40%018%0.177CC..Hα-helixtrans-59-32.1-179.7-69.2172.9000112.7L453 A459 C462 F463 F496 V512 V513 D518 Y519L453-L516 HydrophobicContact CD1-CD2 4.22Å; L453-L516 HydrophobicContact CD2-CD2 3.93Å; A459-L516 HydrophobicContact CB-CD2 3.84Å; C462-L516 HydrophobicContact CB-CD1 3.89Å; F463-L516 HydrophobicContact CE2-CB 4.06Å; F463-L516 HydrophobicContact CZ-CB 3.93Å; F463-L516 HydrophobicContact CZ-CD1 4.42Å; F496-L516 HydrophobicContact CZ-CD1 4.27Å; V512-L516 HydrophobicContact CG1-CD1 3.95Å; V512-L516 HydrophobicContact CG1-CG 4.31Å; V512-L516 VanDerWaalsContact O-CG 3.28Å; V512-L516 WeakPolarHBondContact O-CG 3.24Å; V512-L516 PolarHBondContact O-N 3.43Å; V513-L516 PolarHBondContact O-N 2.79Å; L516-D518 PolarHBondContact O-N 2.66Å; L516-Y519 PolarHBondContact O-N 3.47Å
517L94Very high92Very high2 Ų234.8 Ų34.81%0.0119%0.192CC..Hα-helixtrans-61.7-25177.2-73.4167.4000113.3V513 R514 I515 Y519 V520 I523 I542 V545 L546 R550V513-L517 HydrophobicContact CG1-CD1 4.07Å; V513-L517 HydrophobicContact CG1-CG 4.34Å; V513-L517 VanDerWaalsContact O-CG 3.3Å; V513-L517 WeakPolarHBondContact O-CG 3.31Å; V513-L517 PolarHBondContact O-N 3.04Å; R514-L517 PolarHBondContact O-N 3.26Å; I515-L517 PolarHBondContact O-N 3.36Å; L517-Y519 PolarHBondContact O-N 3.24Å; L517-V520 HydrophobicContact CD2-CG2 4.13Å; L517-I523 HydrophobicContact CD2-CD1 3.68Å; L517-I523 HydrophobicContact CD2-CG1 4.05Å; L517-I542 HydrophobicContact CD1-CB 4.41Å; L517-I542 HydrophobicContact CD1-CG1 4.24Å; L517-I542 HydrophobicContact CD1-CG2 3.98Å; L517-V545 HydrophobicContact CB-CG1 4.07Å; L517-V545 HydrophobicContact CD1-CB 4.43Å; L517-V545 HydrophobicContact CD1-CG1 3.87Å; L517-V545 HydrophobicContact CD2-CG1 4.19Å; L517-V545 HydrophobicContact CG-CG1 4.27Å; L517-L546 HydrophobicContact CD2-CD2 3.88Å; L517-R550 PolarHBondContact O-NH2 3.1Å
518D92.3Very high92Very high46 Ų4630.7 Ų30.725%0.24617%0.174CC..THydrogen-bonded Turntrans-74.6-4.6175.6-62.7-28.6000113.5R514 I515 L516 H554 Y590R514-D518 IonicContact CZ-OD1 3.99Å; R514-D518 IonicContact CZ-OD2 3.46Å; R514-D518 IonicContact NH1-OD1 3.91Å; R514-D518 PolarHBondContact NH1-OD1 3.15Å; R514-D518 IonicContact NH1-OD2 3.08Å; R514-D518 PolarHBondContact NH1-OD2 3.1Å; R514-D518 IonicContact NH2-OD1 3.97Å; I515-D518 WeakPolarHBondContact O-CB 3.4Å; I515-D518 PolarHBondContact O-N 3.04Å; L516-D518 PolarHBondContact O-N 2.66Å; D518-H554 PolarHBondContact O-CE1 3.31Å; D518-H554 VanDerWaalsContact O-CE1 3.25Å; D518-Y590 PolarHBondContact O-OH 3.47Å
519Y93.2Very high92Very high30 Ų3029.9 Ų29.912%0.11817%0.17CC..THydrogen-bonded Turntrans-125.97.6-176.8-62.7-92.7000113.4L453 N454 I515 L516 L517 Y590L453-Y519 HydrophobicContact CB-CD1 3.68Å; L453-Y519 HydrophobicContact CB-CD2 3.87Å; L453-Y519 HydrophobicContact CB-CE1 3.53Å; L453-Y519 HydrophobicContact CB-CE2 3.76Å; L453-Y519 HydrophobicContact CB-CG 3.83Å; L453-Y519 HydrophobicContact CD1-CD2 3.63Å; L453-Y519 HydrophobicContact CD1-CE2 3.66Å; L453-Y519 HydrophobicContact CD1-CG 4.27Å; L453-Y519 HydrophobicContact CD2-CD2 4.17Å; L453-Y519 HydrophobicContact CD2-CG 4.01Å; L453-Y519 HydrophobicContact CG-CD2 4.11Å; L453-Y519 HydrophobicContact CG-CE2 4.26Å; L453-Y519 HydrophobicContact CG-CG 4.27Å; N454-Y519 WeakPolarHBondContact OD1-CE1 3.4Å; N454-Y519 PolarHBondContact OD1-OH 3.47Å; I515-Y519 HydrophobicContact CG2-CE2 4.4Å; I515-Y519 WeakPolarHBondContact O-CD2 3.36Å; L516-Y519 PolarHBondContact O-N 3.47Å; L517-Y519 PolarHBondContact O-N 3.24Å; Y519-Y590 HydrophobicContact CD1-CE1 4.38Å; Y519-Y590 HydrophobicContact CD1-CE2 4.11Å; Y519-Y590 AromaticContact CD1-CZ 3.71Å; Y519-Y590 WeakPolarHBondContact CD1-OH 3.28Å; Y519-Y590 HydrophobicContact CE1-CD1 4.41Å; Y519-Y590 HydrophobicContact CE1-CD2 4.13Å; Y519-Y590 AromaticContact CE1-CE1 3.86Å; Y519-Y590 HydrophobicContact CE1-CE1 3.86Å; Y519-Y590 AromaticContact CE1-CE2 3.55Å; Y519-Y590 HydrophobicContact CE1-CE2 3.55Å; Y519-Y590 AromaticContact CE1-CZ 3.39Å
520V92.3Very high92Very high5 Ų534.3 Ų34.33%0.0319%0.189CC..  trans-124.5153.1176.9-62.40000111.3A459 H460 F463 L517 I523 H554 L558A459-V520 HydrophobicContact CB-CG1 3.69Å; H460-V520 HydrophobicContact CB-CG1 4.25Å; F463-V520 HydrophobicContact CD2-CG1 4.25Å; F463-V520 HydrophobicContact CE2-CG1 3.99Å; F463-V520 HydrophobicContact CE2-CG2 4.18Å; L517-V520 HydrophobicContact CD2-CG2 4.13Å; V520-I523 HydrophobicContact CB-CG2 4.15Å; V520-I523 HydrophobicContact CG2-CD1 3.83Å; V520-I523 HydrophobicContact CG2-CG1 3.94Å; V520-I523 HydrophobicContact CG2-CG2 4.26Å; V520-H554 PolarHBondContact O-NE2 3.44Å; V520-L558 WeakPolarHBondContact O-CD1 3.46Å
521S90.4Very high91.9Very high63 Ų6339.5 Ų39.544%0.44121%0.208SC..SBendtrans-73.4-156.1170.159.60000110I523S521-I523 PolarHBondContact O-N 3Å
522H87.2Confident91.8Very high129 Ų12939.1 Ų39.160%0.59721%0.205SC*.SBendtrans-62.4127.4170.5-169.9-78.3000110.8
523I87.6Confident91.7Very high29 Ų2939 Ų3915%0.14920%0.204CC..  trans-136.8150.7179.851.3152.6000110.9F463 L517 V520 S521 L546F463-I523 HydrophobicContact CB-CD1 4.18Å; F463-I523 HydrophobicContact CD1-CD1 3.36Å; F463-I523 HydrophobicContact CD2-CD1 3.47Å; F463-I523 VanDerWaalsContact CD2-CD1 3.47Å; F463-I523 HydrophobicContact CE1-CD1 3.4Å; F463-I523 VanDerWaalsContact CE1-CD1 3.4Å; F463-I523 HydrophobicContact CE2-CD1 3.51Å; F463-I523 HydrophobicContact CG-CD1 3.36Å; F463-I523 HydrophobicContact CZ-CD1 3.47Å; F463-I523 VanDerWaalsContact CZ-CD1 3.47Å; L517-I523 HydrophobicContact CD2-CD1 3.68Å; L517-I523 HydrophobicContact CD2-CG1 4.05Å; V520-I523 HydrophobicContact CB-CG2 4.15Å; V520-I523 HydrophobicContact CG2-CD1 3.83Å; V520-I523 HydrophobicContact CG2-CG1 3.94Å; V520-I523 HydrophobicContact CG2-CG2 4.26Å; S521-I523 PolarHBondContact O-N 3Å; I523-L546 HydrophobicContact CD1-CD2 4.49Å; I523-L546 HydrophobicContact CG1-CD2 4.17Å
524S85.6Confident91.7Very high96 Ų9643.8 Ų43.867%0.67123%0.226SC*.PPolyproline II helixtrans-103.4126.317159.30000110.3
525I90.3Very high91.6Very high28 Ų2850.4 Ų50.414%0.14425%0.252CS..PPolyproline II helixtrans-84.1146.6172.762.9170.1000111.1F463 L529 K530 L533 W539 L546F463-I525 HydrophobicContact CD1-CG2 4.1Å; F463-I525 HydrophobicContact CE1-CG2 4.23Å; I525-L529 HydrophobicContact CB-CD2 4.26Å; I525-L529 HydrophobicContact CG2-CD2 4.13Å; I525-K530 HydrophobicContact CD1-CB 3.82Å; I525-K530 HydrophobicContact CD1-CG 4.2Å; I525-K530 HydrophobicContact CG1-CB 4.36Å; I525-L533 HydrophobicContact CD1-CD1 4.14Å; I525-W539 HydrophobicContact CD1-CH2 4.38Å; I525-W539 HydrophobicContact CD1-CZ3 4.17Å; I525-L546 HydrophobicContact CD1-CD1 3.63Å; I525-L546 HydrophobicContact CG1-CD1 3.96Å; I525-L546 HydrophobicContact CG2-CD1 3.95Å; I525-L546 HydrophobicContact CG2-CD2 4.34Å
526C90.8Very high91.5Very high9 Ų950.7 Ų50.76%0.06125%0.253CS..PPolyproline II helixtrans-77.3162.8177.373.90000112.3C465 H467 C497 N528 L529 K530C465-C526 WeakPolarHBondContact SG-CB 3.46Å; C465-C526 VanDerWaalsContact SG-SG 3.69Å; H467-C526 HydrophobicContact CB-CB 4.49Å; C497-C526 VanDerWaalsContact SG-SG 3.7Å; C526-N528 VanDerWaalsContact C-N 3.28Å; C526-N528 PolarHBondContact O-N 3.39Å; C526-L529 PolarHBondContact O-N 2.84Å; C526-L529 PolarHBondContact SG-N 3.27Å; C526-L529 VanDerWaalsContact SG-N 3.42Å; C526-K530 WeakPolarHBondContact O-CB 3.39Å; C526-K530 PolarHBondContact O-N 3.36Å
527S89.3Confident91.5Very high78 Ų7856.4 Ų56.455%0.54529%0.29SS..Hα-helixtrans-58.2-37.8-179.154.80000113.2R531S527-R531 PolarHBondContact O-N 3.2Å; S527-R531 VanDerWaalsContact O-N 3.11Å
528N88.3Confident91.5Very high29 Ų2958.7 Ų58.716%0.15530%0.301CS..Hα-helixtrans-69.1-45.8179.3-169.526.5000111.8S501 C526 K530 R531 I532S501-N528 PolarHBondContact OG-ND2 3.4Å; C526-N528 VanDerWaalsContact C-N 3.28Å; C526-N528 PolarHBondContact O-N 3.39Å; N528-K530 VanDerWaalsContact C-N 3.33Å; N528-K530 PolarHBondContact O-N 3.41Å; N528-R531 PolarHBondContact O-N 3.22Å; N528-R531 PolarHBondContact OD1-NH2 2.99Å; N528-I532 WeakPolarHBondContact O-CG1 3.28Å; N528-I532 PolarHBondContact O-N 3.3Å
529L92.1Very high91.7Very high4 Ų458.4 Ų58.42%0.02130%0.297CS..Hα-helixtrans-62.1-43176.2-174.857.6000111F463 F496 C497 V500 V513 I525 C526 R531 I532 L533F463-L529 HydrophobicContact CD1-CD2 4.22Å; F463-L529 HydrophobicContact CE1-CD2 4.34Å; F496-L529 HydrophobicContact CD1-CD1 4.46Å; F496-L529 HydrophobicContact CE1-CD1 4.35Å; C497-L529 HydrophobicContact CB-CB 3.8Å; V500-L529 HydrophobicContact CG2-CD1 3.94Å; V513-L529 HydrophobicContact CG2-CD1 4.36Å; I525-L529 HydrophobicContact CB-CD2 4.26Å; I525-L529 HydrophobicContact CG2-CD2 4.13Å; C526-L529 PolarHBondContact O-N 2.84Å; C526-L529 PolarHBondContact SG-N 3.27Å; C526-L529 VanDerWaalsContact SG-N 3.42Å; L529-R531 PolarHBondContact O-N 2.89Å; L529-I532 PolarHBondContact O-N 3.14Å; L529-I532 VanDerWaalsContact O-N 3.13Å; L529-L533 HydrophobicContact CD1-CD1 4.15Å; L529-L533 HydrophobicContact CD1-CG 4.15Å; L529-L533 HydrophobicContact CD2-CD1 4.42Å; L529-L533 HydrophobicContact CG-CD1 3.79Å; L529-L533 HydrophobicContact CG-CG 4.24Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.42Å
530K92.6Very high91.7Very high94 Ų9464 Ų6441%0.40932%0.324SS..Hα-helixtrans-54.4-48.8175.8-176.6171.8178.91770112.2I525 C526 N528 I532 L533 E534 W539I525-K530 HydrophobicContact CD1-CB 3.82Å; I525-K530 HydrophobicContact CD1-CG 4.2Å; I525-K530 HydrophobicContact CG1-CB 4.36Å; C526-K530 WeakPolarHBondContact O-CB 3.39Å; C526-K530 PolarHBondContact O-N 3.36Å; N528-K530 VanDerWaalsContact C-N 3.33Å; N528-K530 PolarHBondContact O-N 3.41Å; K530-I532 VanDerWaalsContact C-N 3.25Å; K530-I532 PolarHBondContact O-N 3.03Å; K530-L533 PolarHBondContact O-N 3.41Å; K530-E534 WeakPolarHBondContact CE-OE1 3.4Å; K530-E534 HydrophobicContact CG-CG 4.38Å; K530-E534 WeakPolarHBondContact O-CG 3.26Å; K530-E534 PolarHBondContact O-N 2.99Å; K530-W539 HydrophobicContact CD-CH2 4.31Å; K530-W539 HydrophobicContact CG-CH2 3.77Å; K530-W539 HydrophobicContact CG-CZ2 4.44Å; K530-W539 HydrophobicContact CG-CZ3 4.38Å
531R92.1Very high91.8Very high109 Ų10968.3 Ų68.341%0.41134%0.344SS..Hα-helixtrans-60-32.6178.8-176.1-173.763.185.64.6113.5S527 N528 L529S527-R531 PolarHBondContact O-N 3.2Å; S527-R531 VanDerWaalsContact O-N 3.11Å; N528-R531 PolarHBondContact O-N 3.22Å; N528-R531 PolarHBondContact OD1-NH2 2.99Å; L529-R531 PolarHBondContact O-N 2.89Å
532I92.3Very high92Very high10 Ų1065.3 Ų65.35%0.05132%0.323CS..Hα-helixtrans-73.4-48.8176.6-61.2160.5000109.2C497 V500 S501 A506 A509 N528 L529 K530 E534 R535C497-I532 WeakPolarHBondContact O-CD1 3.29Å; V500-I532 HydrophobicContact CG2-CD1 4.15Å; S501-I532 VanDerWaalsContact OG-CD1 3.23Å; S501-I532 WeakPolarHBondContact OG-CD1 3.46Å; A506-I532 HydrophobicContact CB-CG2 4.25Å; A509-I532 HydrophobicContact CB-CG2 3.87Å; N528-I532 WeakPolarHBondContact O-CG1 3.28Å; N528-I532 PolarHBondContact O-N 3.3Å; L529-I532 PolarHBondContact O-N 3.14Å; L529-I532 VanDerWaalsContact O-N 3.13Å; K530-I532 VanDerWaalsContact C-N 3.25Å; K530-I532 PolarHBondContact O-N 3.03Å; I532-E534 PolarHBondContact O-N 3.09Å; I532-R535 WeakPolarHBondContact O-CB 3.38Å; I532-R535 PolarHBondContact O-N 3.26Å; I532-R535 VanDerWaalsContact O-N 3.14Å
533L94.5Very high92.3Very high0 Ų061.4 Ų61.40%031%0.31CS..Hα-helixtrans-65.7-35.2-176.4-64.6173.6000112.9A509 V513 I525 L529 K530 R535 T536 W539 I542A509-L533 HydrophobicContact CB-CD2 4.13Å; V513-L533 HydrophobicContact CB-CD1 4.37Å; V513-L533 HydrophobicContact CB-CD2 4Å; V513-L533 HydrophobicContact CG1-CD1 3.93Å; V513-L533 HydrophobicContact CG1-CD2 4.41Å; V513-L533 HydrophobicContact CG2-CD1 4.29Å; V513-L533 HydrophobicContact CG2-CD2 3.95Å; I525-L533 HydrophobicContact CD1-CD1 4.14Å; L529-L533 HydrophobicContact CD1-CD1 4.15Å; L529-L533 HydrophobicContact CD1-CG 4.15Å; L529-L533 HydrophobicContact CD2-CD1 4.42Å; L529-L533 HydrophobicContact CG-CD1 3.79Å; L529-L533 HydrophobicContact CG-CG 4.24Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.42Å; K530-L533 PolarHBondContact O-N 3.41Å; L533-R535 PolarHBondContact O-N 3.06Å; L533-T536 WeakPolarHBondContact O-CB 3.38Å; L533-T536 PolarHBondContact O-N 3.44Å; L533-T536 PolarHBondContact O-OG1 3.16Å; L533-W539 HydrophobicContact CB-CE3 3.61Å; L533-W539 HydrophobicContact CB-CZ3 3.84Å; L533-W539 WeakPolarHBondContact O-CB 3.43Å; L533-I542 HydrophobicContact CD1-CG2 4.34Å; L533-I542 HydrophobicContact CD2-CD1 4.15Å
534E94.8Very high92.6Very high99 Ų9962.4 Ų62.446%0.46332%0.323SS..THydrogen-bonded Turntrans-56.1-17.7173.8-78170.6175.800113.8K530 I532 W539K530-E534 WeakPolarHBondContact CE-OE1 3.4Å; K530-E534 HydrophobicContact CG-CG 4.38Å; K530-E534 WeakPolarHBondContact O-CG 3.26Å; K530-E534 PolarHBondContact O-N 2.99Å; I532-E534 PolarHBondContact O-N 3.09Å; E534-W539 HydrophobicContact CB-CD2 4.45Å; E534-W539 HydrophobicContact CG-CD2 3.95Å; E534-W539 HydrophobicContact CG-CE3 4.38Å; E534-W539 HydrophobicContact CG-CH2 4.16Å; E534-W539 HydrophobicContact CG-CZ2 3.67Å; E534-W539 HydrophobicContact CG-CZ3 4.48Å
535R93.5Very high92.9Very high192 Ų19259.1 Ų59.173%0.72530%0.298SS*.THydrogen-bonded Turntrans-97.8-1.6178.2-56.5175.8-178.8-163.9-5.6113.1I532 L533I532-R535 WeakPolarHBondContact O-CB 3.38Å; I532-R535 PolarHBondContact O-N 3.26Å; I532-R535 VanDerWaalsContact O-N 3.14Å; L533-R535 PolarHBondContact O-N 3.06Å
536T93.4Very high92.9Very high12 Ų1259.5 Ų59.57%0.07430%0.301CS..SBendtrans-100148.2-177.365.30000110.7L533 E538 W539L533-T536 WeakPolarHBondContact O-CB 3.38Å; L533-T536 PolarHBondContact O-N 3.44Å; L533-T536 PolarHBondContact O-OG1 3.16Å; T536-E538 PolarHBondContact O-N 2.89Å; T536-W539 WeakPolarHBondContact O-CB 3.42Å; T536-W539 PolarHBondContact O-N 3.34Å
537P94Very high92.7Very high120 Ų12062.3 Ų62.378%0.77933%0.331SS*.THydrogen-bonded Turntrans-63.9-24.8-178.624.4-31.4000113.1W539P537-W539 PolarHBondContact O-N 3.49Å
538E95.8Very high92.6Very high50 Ų5065 Ų6523%0.23434%0.335CS..THydrogen-bonded Turntrans-78.4-2.1179.4-57.982.6178.100113.8G510 T536 E540 E541 I542G510-E538 WeakPolarHBondContact CA-OE2 3.25Å; T536-E538 PolarHBondContact O-N 2.89Å; E538-E540 PolarHBondContact O-N 3.2Å; E538-E541 PolarHBondContact O-N 3.33Å; E538-I542 HydrophobicContact CB-CD1 3.87Å; E538-I542 HydrophobicContact CB-CG1 4.34Å; E538-I542 WeakPolarHBondContact O-CG1 3.31Å; E538-I542 PolarHBondContact O-N 3.15Å
539W95.6Very high92.5Very high40 Ų4069.2 Ų69.215%0.15236%0.364CS..Hα-helixtrans-55.5-45.4-172.9176.8-118.1000114.1I525 K530 L533 E534 T536 P537 E541 I542 S543I525-W539 HydrophobicContact CD1-CH2 4.38Å; I525-W539 HydrophobicContact CD1-CZ3 4.17Å; K530-W539 HydrophobicContact CD-CH2 4.31Å; K530-W539 HydrophobicContact CG-CH2 3.77Å; K530-W539 HydrophobicContact CG-CZ2 4.44Å; K530-W539 HydrophobicContact CG-CZ3 4.38Å; L533-W539 HydrophobicContact CB-CE3 3.61Å; L533-W539 HydrophobicContact CB-CZ3 3.84Å; L533-W539 WeakPolarHBondContact O-CB 3.43Å; E534-W539 HydrophobicContact CB-CD2 4.45Å; E534-W539 HydrophobicContact CG-CD2 3.95Å; E534-W539 HydrophobicContact CG-CE3 4.38Å; E534-W539 HydrophobicContact CG-CH2 4.16Å; E534-W539 HydrophobicContact CG-CZ2 3.67Å; E534-W539 HydrophobicContact CG-CZ3 4.48Å; T536-W539 WeakPolarHBondContact O-CB 3.42Å; T536-W539 PolarHBondContact O-N 3.34Å; P537-W539 PolarHBondContact O-N 3.49Å; W539-E541 VanDerWaalsContact C-N 3.3Å; W539-E541 PolarHBondContact O-N 3.47Å; W539-I542 HydrophobicContact CE3-CG2 4.36Å; W539-I542 HydrophobicContact CZ3-CG2 4.29Å; W539-I542 PolarHBondContact O-N 3.34Å; W539-S543 WeakPolarHBondContact O-CB 3.42Å; W539-S543 PolarHBondContact O-N 3.4Å
540E94.4Very high92.5Very high148 Ų14871 Ų7169%0.69237%0.371SS*.Hα-helixtrans-60.5-42.8-177.5-68-59.9149.900111.3E538 A544E538-E540 PolarHBondContact O-N 3.2Å; E540-A544 WeakPolarHBondContact O-CB 3.06Å; E540-A544 PolarHBondContact O-N 3.26Å
541E94.1Very high92.4Very high95 Ų9570.4 Ų70.444%0.44438%0.376SS..Hα-helixtrans-68.6-43.9177.4-167.1-175.5174.400111.5R514 E538 W539 S543 A544 V545R514-E541 IonicContact CZ-OE1 3.01Å; R514-E541 VanDerWaalsContact CZ-OE1 3.24Å; R514-E541 IonicContact NE-OE1 2.8Å; R514-E541 PolarHBondContact NE-OE1 3.41Å; R514-E541 IonicContact NE-OE2 3.24Å; R514-E541 IonicContact NH2-OE1 3.62Å; R514-E541 PolarHBondContact NH2-OE1 3.1Å; E538-E541 PolarHBondContact O-N 3.33Å; W539-E541 VanDerWaalsContact C-N 3.3Å; W539-E541 PolarHBondContact O-N 3.47Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.13Å; E541-A544 PolarHBondContact O-N 2.97Å; E541-V545 WeakPolarHBondContact O-CG2 3.4Å; E541-V545 PolarHBondContact O-N 2.83Å
542I94.6Very high92.5Very high0 Ų071.7 Ų71.70%039%0.39CS..Hα-helixtrans-61-44176.8-69.6168.4000110.9G510 V513 R514 L517 L533 E538 W539 V545 L546G510-I542 WeakPolarHBondContact O-CD1 3.45Å; V513-I542 HydrophobicContact CB-CD1 4.4Å; V513-I542 HydrophobicContact CG1-CD1 4.24Å; V513-I542 HydrophobicContact CG1-CG2 4.41Å; R514-I542 HydrophobicContact CB-CD1 4.3Å; R514-I542 HydrophobicContact CB-CG1 4.11Å; L517-I542 HydrophobicContact CD1-CB 4.41Å; L517-I542 HydrophobicContact CD1-CG1 4.24Å; L517-I542 HydrophobicContact CD1-CG2 3.98Å; L533-I542 HydrophobicContact CD1-CG2 4.34Å; L533-I542 HydrophobicContact CD2-CD1 4.15Å; E538-I542 HydrophobicContact CB-CD1 3.87Å; E538-I542 HydrophobicContact CB-CG1 4.34Å; E538-I542 WeakPolarHBondContact O-CG1 3.31Å; E538-I542 PolarHBondContact O-N 3.15Å; W539-I542 HydrophobicContact CE3-CG2 4.36Å; W539-I542 HydrophobicContact CZ3-CG2 4.29Å; W539-I542 PolarHBondContact O-N 3.34Å; I542-V545 PolarHBondContact O-N 3.02Å; I542-L546 HydrophobicContact CG2-CD1 3.74Å; I542-L546 HydrophobicContact CG2-CG 4.38Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.39Å; I542-L546 PolarHBondContact O-N 2.69Å
543S93.8Very high92.5Very high47 Ų4777.4 Ų77.433%0.32942%0.417SS..Hα-helixtrans-63.5-42.9179.5-176.70000111.3W539 E541 L546 G547W539-S543 WeakPolarHBondContact O-CB 3.42Å; W539-S543 PolarHBondContact O-N 3.4Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.13Å; S543-L546 PolarHBondContact O-N 3.44Å; S543-G547 PolarHBondContact O-N 3.27Å
544A92.3Very high92.4Very high51 Ų5178.3 Ų78.342%0.42142%0.421SS..Hα-helixtrans-60.4-47174.200000111.6E540 E541 L546 G547 E548E540-A544 WeakPolarHBondContact O-CB 3.06Å; E540-A544 PolarHBondContact O-N 3.26Å; E541-A544 PolarHBondContact O-N 2.97Å; A544-L546 VanDerWaalsContact C-N 3.3Å; A544-L546 PolarHBondContact O-N 3.04Å; A544-G547 PolarHBondContact O-N 3.06Å; A544-E548 PolarHBondContact O-N 3Å
545V91.6Very high92.3Very high26 Ų2676.6 Ų76.616%0.15842%0.415CS..Hα-helixtrans-60.6-37.2177.6163.10000112.8L517 E541 I542L517-V545 HydrophobicContact CB-CG1 4.07Å; L517-V545 HydrophobicContact CD1-CB 4.43Å; L517-V545 HydrophobicContact CD1-CG1 3.87Å; L517-V545 HydrophobicContact CD2-CG1 4.19Å; L517-V545 HydrophobicContact CG-CG1 4.27Å; E541-V545 WeakPolarHBondContact O-CG2 3.4Å; E541-V545 PolarHBondContact O-N 2.83Å; I542-V545 PolarHBondContact O-N 3.02Å
546L91Very high92.3Very high37 Ų3770 Ų7019%0.19440%0.397CS..Hα-helixtrans-81.3-25.5179.6-70172.3000113.3L517 I523 I525 I542 S543 A544L517-L546 HydrophobicContact CD2-CD2 3.88Å; I523-L546 HydrophobicContact CD1-CD2 4.49Å; I523-L546 HydrophobicContact CG1-CD2 4.17Å; I525-L546 HydrophobicContact CD1-CD1 3.63Å; I525-L546 HydrophobicContact CG1-CD1 3.96Å; I525-L546 HydrophobicContact CG2-CD1 3.95Å; I525-L546 HydrophobicContact CG2-CD2 4.34Å; I542-L546 HydrophobicContact CG2-CD1 3.74Å; I542-L546 HydrophobicContact CG2-CG 4.38Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.39Å; I542-L546 PolarHBondContact O-N 2.69Å; S543-L546 PolarHBondContact O-N 3.44Å; A544-L546 VanDerWaalsContact C-N 3.3Å; A544-L546 PolarHBondContact O-N 3.04Å
547G86.9Confident92.3Very high68 Ų6870.3 Ų70.370%0.70140%0.397SS*.Hα-helixtrans-84.2-23.3-178.500000114.3S543 A544S543-G547 PolarHBondContact O-N 3.27Å; A544-G547 PolarHBondContact O-N 3.06Å
548E86.1Confident92.2Very high135 Ų13566.2 Ų66.263%0.63137%0.368SS*.SBendtrans-103.4149.5-177.9-65.7-17317300113.2A544 R550A544-E548 PolarHBondContact O-N 3Å; E548-R550 PolarHBondContact O-N 2.89Å
549P87.8Confident92Very high117 Ų11768.4 Ų68.476%0.7639%0.385SS*.PPolyproline II helixtrans-59.8131.6169.5-16.228.7000110.6
550R90.6Very high91.8Very high42 Ų4269.3 Ų69.316%0.15839%0.392CS..PPolyproline II helixtrans-62.5140.3179.1-61.3-67.2-76162.8-5.2110.8L517 E548 H554 L555L517-R550 PolarHBondContact O-NH2 3.1Å; E548-R550 PolarHBondContact O-N 2.89Å; R550-H554 PolarHBondContact NE-CD2 2.93Å; R550-H554 PolarHBondContact NH2-CE1 3.26Å; R550-H554 PolarHBondContact NH2-NE2 3.4Å; R550-L555 HydrophobicContact CB-CD2 4.04Å; R550-L555 HydrophobicContact CB-CG 4.2Å
551P92.1Very high91.6Very high80 Ų8063.4 Ų63.452%0.51936%0.364SS..PPolyproline II helixtrans-55.2141.8178.9-25.633.4000112.3Q553 H554 L555P551-Q553 PolarHBondContact O-N 3.47Å; P551-H554 HydrophobicContact CB-CB 4.31Å; P551-H554 WeakPolarHBondContact O-CA 3.3Å; P551-H554 WeakPolarHBondContact O-CB 3.39Å; P551-H554 PolarHBondContact O-N 2.89Å; P551-L555 PolarHBondContact O-N 2.86Å; P551-L555 VanDerWaalsContact O-N 3.1Å
552L93.1Very high91.2Very high136 Ų13662.1 Ų62.171%0.71238%0.376SS*.Hα-helixtrans-56.2-39.6177-178.562.9000111.3H554 L555 C556L552-H554 VanDerWaalsContact C-N 3.31Å; L552-H554 PolarHBondContact O-N 2.81Å; L552-L555 PolarHBondContact O-N 3.15Å; L552-C556 WeakPolarHBondContact O-CB 3.46Å; L552-C556 PolarHBondContact O-N 3.11Å; L552-C556 PolarHBondContact O-SG 3.12Å
553Q92.4Very high90.9Very high131 Ų13172.8 Ų72.861%0.61242%0.416SS*.Hα-helixtrans-58.8-39.9174.4-176.4178.11500111.8P551 R557 Y587P551-Q553 PolarHBondContact O-N 3.47Å; Q553-R557 PolarHBondContact O-N 3.01Å; Q553-Y587 HydrophobicContact CG-CE2 3.58Å; Q553-Y587 PolarHBondContact O-OH 3.03Å
554H91.8Very high90.6Very high18 Ų1872 Ų728%0.08341%0.408CS..Hα-helixtrans-65.4-46.9175.8175.365.5000111.7D518 V520 R550 P551 L552 C556 R557 L558D518-H554 PolarHBondContact O-CE1 3.31Å; D518-H554 VanDerWaalsContact O-CE1 3.25Å; V520-H554 PolarHBondContact O-NE2 3.44Å; R550-H554 PolarHBondContact NE-CD2 2.93Å; R550-H554 PolarHBondContact NH2-CE1 3.26Å; R550-H554 PolarHBondContact NH2-NE2 3.4Å; P551-H554 HydrophobicContact CB-CB 4.31Å; P551-H554 WeakPolarHBondContact O-CA 3.3Å; P551-H554 WeakPolarHBondContact O-CB 3.39Å; P551-H554 PolarHBondContact O-N 2.89Å; L552-H554 VanDerWaalsContact C-N 3.31Å; L552-H554 PolarHBondContact O-N 2.81Å; H554-C556 VanDerWaalsContact C-N 3.35Å; H554-C556 PolarHBondContact O-N 3.42Å; H554-R557 VanDerWaalsContact O-CB 3.31Å; H554-R557 WeakPolarHBondContact O-CB 3.27Å; H554-R557 PolarHBondContact O-N 2.94Å; H554-R557 VanDerWaalsContact O-N 3.11Å; H554-L558 WeakPolarHBondContact NE2-CD1 3.45Å; H554-L558 PolarHBondContact O-N 3.46Å
555L93.2Very high90.2Very high63 Ų6374.1 Ų74.133%0.3341%0.412SS..Hα-helixtrans-62.1-41.3-179.7-63.4176.6000112.1R550 P551 L552 R557 L558 V559R550-L555 HydrophobicContact CB-CD2 4.04Å; R550-L555 HydrophobicContact CB-CG 4.2Å; P551-L555 PolarHBondContact O-N 2.86Å; P551-L555 VanDerWaalsContact O-N 3.1Å; L552-L555 PolarHBondContact O-N 3.15Å; L555-R557 VanDerWaalsContact C-N 3.31Å; L555-R557 PolarHBondContact O-N 3.46Å; L555-L558 PolarHBondContact O-N 2.95Å; L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.4Å
556C93.7Very high89.7Confident53 Ų5376.3 Ų76.336%0.35843%0.425SS..Hα-helixtrans-58.9-41.5173.9-71.80000111.8L552 H554 L558 V559 I560L552-C556 WeakPolarHBondContact O-CB 3.46Å; L552-C556 PolarHBondContact O-N 3.11Å; L552-C556 PolarHBondContact O-SG 3.12Å; H554-C556 VanDerWaalsContact C-N 3.35Å; H554-C556 PolarHBondContact O-N 3.42Å; C556-L558 PolarHBondContact O-N 2.99Å; C556-V559 PolarHBondContact O-N 3.48Å; C556-I560 WeakPolarHBondContact O-CB 3.48Å; C556-I560 WeakPolarHBondContact O-CD1 3.27Å; C556-I560 WeakPolarHBondContact O-CG1 3.45Å; C556-I560 PolarHBondContact O-N 3.4Å
557R93.3Very high89.1Confident19 Ų1982.1 Ų82.17%0.07245%0.445CS..Hα-helixtrans-57.1-50.9178.4-169.1-178.5-73165.5-3.3110.5Q553 H554 L555 I560 R561 Y587 Y590 D593Q553-R557 PolarHBondContact O-N 3.01Å; H554-R557 VanDerWaalsContact O-CB 3.31Å; H554-R557 WeakPolarHBondContact O-CB 3.27Å; H554-R557 PolarHBondContact O-N 2.94Å; H554-R557 VanDerWaalsContact O-N 3.11Å; L555-R557 VanDerWaalsContact C-N 3.31Å; L555-R557 PolarHBondContact O-N 3.46Å; R557-I560 PolarHBondContact O-N 2.89Å; R557-R561 WeakPolarHBondContact O-CB 3.2Å; R557-R561 VanDerWaalsContact O-CG 3.3Å; R557-R561 WeakPolarHBondContact O-CG 3.06Å; R557-R561 PolarHBondContact O-N 3.49Å; R557-Y587 VanDerWaalsContact CA-OH 3.31Å; R557-Y587 WeakPolarHBondContact CA-OH 3.39Å; R557-Y587 HydrophobicContact CB-CE1 4.01Å; R557-Y587 HydrophobicContact CB-CE2 4.17Å; R557-Y587 VanDerWaalsContact CB-OH 3.29Å; R557-Y587 WeakPolarHBondContact CB-OH 3.25Å; R557-Y587 HydrophobicContact CG-CE1 4.14Å; R557-Y587 HydrophobicContact CG-CE2 4.42Å; R557-Y587 PolarHBondContact N-OH 3.07Å; R557-Y587 PolarHBondContact NE-O 3.08Å; R557-Y587 VanDerWaalsContact NH2-CD2 3.34Å; R557-Y590 VanDerWaalsContact CD-CZ 3.42Å; R557-D593 IonicContact CZ-OD2 3.17Å; R557-D593 IonicContact NH1-OD2 2.73Å; R557-D593 PolarHBondContact NH1-OD2 3.16Å; R557-D593 IonicContact NH2-OD1 3.93Å; R557-D593 IonicContact NH2-OD2 2.72Å; R557-D593 PolarHBondContact NH2-OD2 2.87Å
558L91.9Very high89Confident34 Ų3480.8 Ų80.818%0.17842%0.423CS..Hα-helixtrans-64.1-42.9-177.9-62.3-178.6000112.1V520 H554 L555 C556 G562V520-L558 WeakPolarHBondContact O-CD1 3.46Å; H554-L558 WeakPolarHBondContact NE2-CD1 3.45Å; H554-L558 PolarHBondContact O-N 3.46Å; L555-L558 PolarHBondContact O-N 2.95Å; C556-L558 PolarHBondContact O-N 2.99Å; L558-G562 PolarHBondContact O-N 3.42Å
559V91.9Very high88.8Confident96 Ų9675.8 Ų75.858%0.58240%0.401SS*.Hα-helixtrans-64.4-44.9178.4172.50000111.1L555 C556 G562 R563L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.4Å; C556-V559 PolarHBondContact O-N 3.48Å; V559-G562 PolarHBondContact O-N 3.39Å; V559-R563 WeakPolarHBondContact O-CG 3.38Å; V559-R563 PolarHBondContact O-N 3Å
560I91.2Very high88.7Confident60 Ų6071 Ų7131%0.30837%0.368SS..Hα-helixtrans-63.1-52.2178.6-64.7163.5000109.6C556 R557 G562 R563 M564 L588C556-I560 WeakPolarHBondContact O-CB 3.48Å; C556-I560 WeakPolarHBondContact O-CD1 3.27Å; C556-I560 WeakPolarHBondContact O-CG1 3.45Å; C556-I560 PolarHBondContact O-N 3.4Å; R557-I560 PolarHBondContact O-N 2.89Å; I560-G562 VanDerWaalsContact C-N 3.29Å; I560-G562 PolarHBondContact O-N 3.25Å; I560-R563 WeakPolarHBondContact O-CB 3.26Å; I560-R563 PolarHBondContact O-N 3.5Å; I560-M564 HydrophobicContact CG2-SD 4.25Å; I560-M564 WeakPolarHBondContact O-CG 3.35Å; I560-M564 PolarHBondContact O-N 3.49Å; I560-L588 HydrophobicContact CB-CD2 3.84Å; I560-L588 HydrophobicContact CD1-CD2 4.4Å; I560-L588 HydrophobicContact CG2-CD1 3.91Å; I560-L588 HydrophobicContact CG2-CD2 3.53Å; I560-L588 HydrophobicContact CG2-CG 4.38Å
561R90.8Very high88.3Confident24 Ų2471.5 Ų71.59%0.09137%0.374CS..Hα-helixtrans-57.9-40.2178.9-72.8175.457.978.15.9112.5L453 N454 R557 R563 M564 L588L453-R561 PolarHBondContact O-NH2 3.12Å; N454-R561 VanDerWaalsContact C-NH2 3.33Å; N454-R561 PolarHBondContact O-NH2 3.18Å; R557-R561 WeakPolarHBondContact O-CB 3.2Å; R557-R561 VanDerWaalsContact O-CG 3.3Å; R557-R561 WeakPolarHBondContact O-CG 3.06Å; R557-R561 PolarHBondContact O-N 3.49Å; R561-R563 PolarHBondContact O-N 2.95Å; R561-M564 PolarHBondContact O-N 2.88Å; R561-M564 VanDerWaalsContact O-N 3.08Å; R561-L588 HydrophobicContact CG-CD2 3.99Å; R561-L588 PolarHBondContact NH1-O 2.98Å
562G85.9Confident87.6Confident68 Ų6871.3 Ų71.370%0.70137%0.373SS*.THydrogen-bonded Turntrans-65.8-13.4176.600000114.7L558 V559 I560L558-G562 PolarHBondContact O-N 3.42Å; V559-G562 PolarHBondContact O-N 3.39Å; I560-G562 VanDerWaalsContact C-N 3.29Å; I560-G562 PolarHBondContact O-N 3.25Å
563R87.6Confident87.2Confident223 Ų22372.3 Ų72.384%0.84237%0.374SS*.THydrogen-bonded Turntrans-100.1-8.9174.1-63.1-67.7-174178.60.6113.1V559 I560 R561V559-R563 WeakPolarHBondContact O-CG 3.38Å; V559-R563 PolarHBondContact O-N 3Å; I560-R563 WeakPolarHBondContact O-CB 3.26Å; I560-R563 PolarHBondContact O-N 3.5Å; R561-R563 PolarHBondContact O-N 2.95Å
564M87.1Confident86.8Confident30 Ų3067.5 Ų67.515%0.14836%0.357CS..SBendtrans-82.4154.2180-67.8179.670.300111.4I560 R561 L569 M575 F580 L588I560-M564 HydrophobicContact CG2-SD 4.25Å; I560-M564 WeakPolarHBondContact O-CG 3.35Å; I560-M564 PolarHBondContact O-N 3.49Å; R561-M564 PolarHBondContact O-N 2.88Å; R561-M564 VanDerWaalsContact O-N 3.08Å; M564-L569 HydrophobicContact CB-CD1 4.09Å; M564-L569 HydrophobicContact CB-CD2 4.29Å; M564-L569 HydrophobicContact CB-CG 4.04Å; M564-L569 HydrophobicContact CE-CD2 3.68Å; M564-L569 HydrophobicContact CE-CG 4.28Å; M564-L569 HydrophobicContact SD-CD2 3.75Å; M564-M575 HydrophobicContact CE-CE 3.94Å; M564-M575 HydrophobicContact CE-SD 3.62Å; M564-F580 HydrophobicContact CE-CE2 3.99Å; M564-L588 HydrophobicContact SD-CD1 3.91Å
565N84.4Confident86.4Confident97 Ų9767.3 Ų67.352%0.51936%0.356SS..  trans-71.9129.8169.3-174.5-24.2000109.1R567 T568 L569N565-R567 PolarHBondContact O-N 3.42Å; N565-R567 PolarHBondContact OD1-N 3.36Å; N565-T568 WeakPolarHBondContact O-CB 3.36Å; N565-T568 PolarHBondContact O-N 3.19Å; N565-L569 PolarHBondContact O-N 3.2Å; N565-L569 VanDerWaalsContact O-N 3.08Å
566V80.9Confident86Confident72 Ų7270.6 Ų70.644%0.43637%0.37SS..Hα-helixtrans-57.7-35.1178.6177.80000111.6L569 N570V566-L569 WeakPolarHBondContact O-CB 3.5Å; V566-L569 PolarHBondContact O-N 2.86Å; V566-N570 WeakPolarHBondContact CG1-ND2 3.41Å; V566-N570 WeakPolarHBondContact O-CB 3.35Å; V566-N570 VanDerWaalsContact O-CG 3.26Å; V566-N570 PolarHBondContact O-N 3.18Å; V566-N570 PolarHBondContact O-ND2 3.25Å
567R78.8Confident85.6Confident159 Ų15972.1 Ų72.160%0.639%0.386SS*.Hα-helixtrans-62.2-46.1174.2-69.7-172.3179.5-174.6-3.6111.9N565 L569 N570 D571N565-R567 PolarHBondContact O-N 3.42Å; N565-R567 PolarHBondContact OD1-N 3.36Å; R567-L569 PolarHBondContact O-N 3.22Å; R567-N570 PolarHBondContact O-N 3.32Å; R567-N570 VanDerWaalsContact O-N 3.1Å; R567-D571 WeakPolarHBondContact O-CB 3.49Å; R567-D571 PolarHBondContact O-N 2.88Å
568T83.9Confident85.1Confident40 Ų4071.9 Ų71.925%0.24539%0.388CS..Hα-helixtrans-63-29.9176.5-50.90000112.3N565 A574 M575N565-T568 WeakPolarHBondContact O-CB 3.36Å; N565-T568 PolarHBondContact O-N 3.19Å; T568-A574 HydrophobicContact CG2-CB 4.32Å; T568-M575 WeakPolarHBondContact O-CB 3.46Å
569L82.9Confident84.8Confident30 Ų3076.3 Ų76.316%0.15742%0.419CS..Hα-helixtrans-73.6-31.5174.7-73171.4000113M564 N565 V566 R567M564-L569 HydrophobicContact CB-CD1 4.09Å; M564-L569 HydrophobicContact CB-CD2 4.29Å; M564-L569 HydrophobicContact CB-CG 4.04Å; M564-L569 HydrophobicContact CE-CD2 3.68Å; M564-L569 HydrophobicContact CE-CG 4.28Å; M564-L569 HydrophobicContact SD-CD2 3.75Å; N565-L569 PolarHBondContact O-N 3.2Å; N565-L569 VanDerWaalsContact O-N 3.08Å; V566-L569 WeakPolarHBondContact O-CB 3.5Å; V566-L569 PolarHBondContact O-N 2.86Å; R567-L569 PolarHBondContact O-N 3.22Å
570N84.3Confident84.5Confident16 Ų1675.1 Ų75.19%0.08641%0.406CS..Hα-helixtrans-97.8-15.9-172.4-68.6-18.6000114.1L417 S455 V566 R567L417-N570 HydrophobicContact CB-CB 4.08Å; L417-N570 WeakPolarHBondContact O-CB 3.46Å; S455-N570 WeakPolarHBondContact CA-OD1 3.35Å; S455-N570 WeakPolarHBondContact CB-OD1 3.25Å; S455-N570 PolarHBondContact OG-OD1 3.39Å; V566-N570 WeakPolarHBondContact CG1-ND2 3.41Å; V566-N570 WeakPolarHBondContact O-CB 3.35Å; V566-N570 VanDerWaalsContact O-CG 3.26Å; V566-N570 PolarHBondContact O-N 3.18Å; V566-N570 PolarHBondContact O-ND2 3.25Å; R567-N570 PolarHBondContact O-N 3.32Å; R567-N570 VanDerWaalsContact O-N 3.1Å
571D82.1Confident84.4Confident52 Ų5276.1 Ų76.128%0.27842%0.417SS..  trans-99.4111174.9175.5-1.8000109.3R567 E573 A574 M575R567-D571 WeakPolarHBondContact O-CB 3.49Å; R567-D571 PolarHBondContact O-N 2.88Å; D571-E573 VanDerWaalsContact C-N 3.28Å; D571-E573 PolarHBondContact O-N 2.95Å; D571-E573 PolarHBondContact OD1-N 2.89Å; D571-A574 HydrophobicContact CB-CB 3.77Å; D571-A574 PolarHBondContact O-N 2.96Å; D571-A574 PolarHBondContact OD1-N 3.24Å; D571-A574 WeakPolarHBondContact OD2-CB 3.37Å; D571-M575 PolarHBondContact O-N 3.2Å
572P79.1Confident84.2Confident76 Ų7680.4 Ų80.449%0.49445%0.448SS..Hα-helixtrans-56.9-39.6179.3-24.534.3000113.2M575 E576P572-M575 PolarHBondContact O-N 3.36Å; P572-E576 WeakPolarHBondContact O-CB 3.36Å; P572-E576 WeakPolarHBondContact O-CG 3.5Å; P572-E576 PolarHBondContact O-N 3.49Å
573E83.4Confident84.3Confident157 Ų15788 Ų8873%0.73446%0.455SS*.Hα-helixtrans-68.7-42.1-179-61.3-170.9170.600110.4D571 M575 E576 A577D571-E573 VanDerWaalsContact C-N 3.28Å; D571-E573 PolarHBondContact O-N 2.95Å; D571-E573 PolarHBondContact OD1-N 2.89Å; E573-M575 VanDerWaalsContact C-N 3.33Å; E573-M575 PolarHBondContact O-N 2.99Å; E573-E576 PolarHBondContact O-N 3.43Å; E573-A577 VanDerWaalsContact O-CB 3.25Å; E573-A577 WeakPolarHBondContact O-CB 3.46Å; E573-A577 PolarHBondContact O-N 2.88Å
574A84.6Confident84.3Confident31 Ų3180 Ų8026%0.25643%0.429SS..Hα-helixtrans-64.9-36.2175.200000112.7T568 D571 A578T568-A574 HydrophobicContact CG2-CB 4.32Å; D571-A574 HydrophobicContact CB-CB 3.77Å; D571-A574 PolarHBondContact O-N 2.96Å; D571-A574 PolarHBondContact OD1-N 3.24Å; D571-A574 WeakPolarHBondContact OD2-CB 3.37Å; A574-A578 PolarHBondContact O-N 2.67Å; A574-A578 VanDerWaalsContact O-N 3.14Å
575M84.4Confident84.3Confident14 Ų1479.5 Ų79.57%0.06943%0.426CS..Hα-helixtrans-70.1-39.2177.4-170.264.3-173.400111.9M564 T568 D571 P572 E573 A578 I585 L588M564-M575 HydrophobicContact CE-CE 3.94Å; M564-M575 HydrophobicContact CE-SD 3.62Å; T568-M575 WeakPolarHBondContact O-CB 3.46Å; D571-M575 PolarHBondContact O-N 3.2Å; P572-M575 PolarHBondContact O-N 3.36Å; E573-M575 VanDerWaalsContact C-N 3.33Å; E573-M575 PolarHBondContact O-N 2.99Å; M575-A578 VanDerWaalsContact O-CB 3.22Å; M575-A578 WeakPolarHBondContact O-CB 3.43Å; M575-A578 PolarHBondContact O-N 3.02Å; M575-I585 HydrophobicContact CE-CB 4.35Å; M575-I585 HydrophobicContact CE-CG1 4.37Å; M575-I585 HydrophobicContact CE-CG2 4.04Å; M575-I585 HydrophobicContact CG-CG2 4.02Å; M575-L588 HydrophobicContact CE-CB 3.85Å; M575-L588 HydrophobicContact CE-CD1 4.17Å
576E82.9Confident84.3Confident131 Ų13175.6 Ų75.661%0.61241%0.409SS*.Hα-helixtrans-70.9-34.1175.6-73.7-175.6-178.900112.5P572 E573 A578P572-E576 WeakPolarHBondContact O-CB 3.36Å; P572-E576 WeakPolarHBondContact O-CG 3.5Å; P572-E576 PolarHBondContact O-N 3.49Å; E573-E576 PolarHBondContact O-N 3.43Å; E576-A578 PolarHBondContact O-N 3.26Å
577A85.3Confident84.7Confident85 Ų8573.4 Ų73.470%0.70239%0.393SS*.SBendtrans-75.5-10.2173.600000113.5E573E573-A577 VanDerWaalsContact O-CB 3.25Å; E573-A577 WeakPolarHBondContact O-CB 3.46Å; E573-A577 PolarHBondContact O-N 2.88Å
578A83.6Confident85.2Confident14 Ų1465.9 Ų65.912%0.11637%0.365CS..SBendtrans-63.2147.4179.500000110.9A574 M575 E576 F580A574-A578 PolarHBondContact O-N 2.67Å; A574-A578 VanDerWaalsContact O-N 3.14Å; M575-A578 VanDerWaalsContact O-CB 3.22Å; M575-A578 WeakPolarHBondContact O-CB 3.43Å; M575-A578 PolarHBondContact O-N 3.02Å; E576-A578 PolarHBondContact O-N 3.26Å; A578-F580 HydrophobicContact CB-CD2 3.62Å; A578-F580 HydrophobicContact CB-CE2 4.05Å; A578-F580 PolarHBondContact O-N 3.42Å
579P85.9Confident85.1Confident127 Ų12765.4 Ų65.483%0.82536%0.363SS*.SBendtrans-76.942.9-176.234.2-37.8000112.6
580F86.1Confident85.1Confident71 Ų7164.9 Ų64.931%0.31136%0.359SS..SBendtrans-114.2144.5-177.7-62.2-50.9000111.1M564 A578 L584 I585M564-F580 HydrophobicContact CE-CE2 3.99Å; A578-F580 HydrophobicContact CB-CD2 3.62Å; A578-F580 HydrophobicContact CB-CE2 4.05Å; A578-F580 PolarHBondContact O-N 3.42Å; F580-L584 HydrophobicContact CB-CB 4.47Å; F580-L584 HydrophobicContact CB-CD2 4.09Å; F580-L584 HydrophobicContact CB-CG 4.48Å; F580-L584 HydrophobicContact CD1-CD2 3.68Å; F580-L584 HydrophobicContact CE1-CD2 4.42Å; F580-L584 HydrophobicContact CG-CD2 4.06Å; F580-I585 HydrophobicContact CB-CD1 4.4Å; F580-I585 HydrophobicContact CB-CG1 3.84Å; F580-I585 WeakPolarHBondContact O-CD1 3.44Å
581P89.3Confident84.5Confident82 Ų8270.4 Ų70.453%0.53238%0.379SS..  trans-60.8148.8172.1-23.233.4000112R583 L584 I585P581-R583 PolarHBondContact O-N 3.43Å; P581-R583 VanDerWaalsContact O-N 3.08Å; P581-L584 WeakPolarHBondContact O-CA 3.44Å; P581-L584 WeakPolarHBondContact O-CB 3.23Å; P581-L584 PolarHBondContact O-N 3.3Å; P581-I585 PolarHBondContact O-N 3.37Å
582P85.8Confident83.4Confident114 Ų11471.3 Ų71.374%0.7439%0.393SS*.Hα-helixtrans-54.5-35.2-178.4-28.734.7000114.4I585 G586P582-I585 PolarHBondContact O-N 3.06Å; P582-G586 PolarHBondContact O-N 3.27Å
583R87.6Confident82.2Confident228 Ų22872.3 Ų72.386%0.8640%0.395SS*.Hα-helixtrans-65-38.6175.2-71.1-172.9174.8-176.9-1.2112.8P581 Y587P581-R583 PolarHBondContact O-N 3.43Å; P581-R583 VanDerWaalsContact O-N 3.08Å; R583-Y587 VanDerWaalsContact O-CB 3.31Å; R583-Y587 WeakPolarHBondContact O-CB 3.49Å; R583-Y587 PolarHBondContact O-N 2.78Å
584L88.2Confident80.7Confident55 Ų5567 Ų6729%0.28837%0.372SS..Hα-helixtrans-71.1-39177.4-175.663.6000110.2F580 P581 Y587 L588F580-L584 HydrophobicContact CB-CB 4.47Å; F580-L584 HydrophobicContact CB-CD2 4.09Å; F580-L584 HydrophobicContact CB-CG 4.48Å; F580-L584 HydrophobicContact CD1-CD2 3.68Å; F580-L584 HydrophobicContact CE1-CD2 4.42Å; F580-L584 HydrophobicContact CG-CD2 4.06Å; P581-L584 WeakPolarHBondContact O-CA 3.44Å; P581-L584 WeakPolarHBondContact O-CB 3.23Å; P581-L584 PolarHBondContact O-N 3.3Å; L584-Y587 HydrophobicContact CD1-CD1 3.87Å; L584-Y587 HydrophobicContact CD1-CE1 4.33Å; L584-Y587 PolarHBondContact O-N 2.95Å; L584-L588 HydrophobicContact CD1-CD1 4.29Å; L584-L588 HydrophobicContact CD1-CG 4.29Å; L584-L588 HydrophobicContact CG-CD1 3.94Å; L584-L588 HydrophobicContact CG-CG 4.35Å; L584-L588 WeakPolarHBondContact O-CB 3.34Å; L584-L588 VanDerWaalsContact O-CG 3.24Å; L584-L588 WeakPolarHBondContact O-CG 3.5Å; L584-L588 PolarHBondContact O-N 2.99Å
585I86.3Confident78.5Confident18 Ų1871 Ų719%0.09240%0.395CS..Hα-helixtrans-57.1-54.2173.1-65.4172.5000110.3M575 F580 P581 P582 Y587 L588 S589M575-I585 HydrophobicContact CE-CB 4.35Å; M575-I585 HydrophobicContact CE-CG1 4.37Å; M575-I585 HydrophobicContact CE-CG2 4.04Å; M575-I585 HydrophobicContact CG-CG2 4.02Å; F580-I585 HydrophobicContact CB-CD1 4.4Å; F580-I585 HydrophobicContact CB-CG1 3.84Å; F580-I585 WeakPolarHBondContact O-CD1 3.44Å; P581-I585 PolarHBondContact O-N 3.37Å; P582-I585 PolarHBondContact O-N 3.06Å; I585-Y587 VanDerWaalsContact C-N 3.26Å; I585-Y587 PolarHBondContact O-N 2.73Å; I585-L588 PolarHBondContact O-N 3.34Å; I585-L588 VanDerWaalsContact O-N 3.09Å; I585-S589 WeakPolarHBondContact O-CB 3.13Å; I585-S589 PolarHBondContact O-N 3.16Å; I585-S589 PolarHBondContact O-OG 3.29Å; I585-S589 VanDerWaalsContact O-OG 3.13Å
586G85.7Confident76.3Confident15 Ų1580.1 Ų80.116%0.15543%0.43CS..Hα-helixtrans-61.6-32179.200000114.1P582 S589 Y590 R591 A592P582-G586 PolarHBondContact O-N 3.27Å; G586-S589 WeakPolarHBondContact CA-OG 3.31Å; G586-S589 PolarHBondContact O-OG 3.19Å; G586-Y590 PolarHBondContact O-N 3.12Å; G586-R591 PolarHBondContact O-N 3.38Å; G586-A592 PolarHBondContact O-N 2.67Å
587Y89.4Confident74Confident27 Ų2777.3 Ų77.311%0.10644%0.436CS..Hα-helixtrans-72.2-36.5174162.1-96.5000113.1Q553 R557 R583 L584 I585Q553-Y587 HydrophobicContact CG-CE2 3.58Å; Q553-Y587 PolarHBondContact O-OH 3.03Å; R557-Y587 VanDerWaalsContact CA-OH 3.31Å; R557-Y587 WeakPolarHBondContact CA-OH 3.39Å; R557-Y587 HydrophobicContact CB-CE1 4.01Å; R557-Y587 HydrophobicContact CB-CE2 4.17Å; R557-Y587 VanDerWaalsContact CB-OH 3.29Å; R557-Y587 WeakPolarHBondContact CB-OH 3.25Å; R557-Y587 HydrophobicContact CG-CE1 4.14Å; R557-Y587 HydrophobicContact CG-CE2 4.42Å; R557-Y587 PolarHBondContact N-OH 3.07Å; R557-Y587 PolarHBondContact NE-O 3.08Å; R557-Y587 VanDerWaalsContact NH2-CD2 3.34Å; R583-Y587 VanDerWaalsContact O-CB 3.31Å; R583-Y587 WeakPolarHBondContact O-CB 3.49Å; R583-Y587 PolarHBondContact O-N 2.78Å; L584-Y587 HydrophobicContact CD1-CD1 3.87Å; L584-Y587 HydrophobicContact CD1-CE1 4.33Å; L584-Y587 PolarHBondContact O-N 2.95Å; I585-Y587 VanDerWaalsContact C-N 3.26Å; I585-Y587 PolarHBondContact O-N 2.73Å
588L87.8Confident71.9Confident0 Ų076.5 Ų76.50%044%0.436CS..Hα-helixtrans-78.4-28.7178.7-69.1172.1000112.4I560 R561 M564 M575 L584 I585 Y590I560-L588 HydrophobicContact CB-CD2 3.84Å; I560-L588 HydrophobicContact CD1-CD2 4.4Å; I560-L588 HydrophobicContact CG2-CD1 3.91Å; I560-L588 HydrophobicContact CG2-CD2 3.53Å; I560-L588 HydrophobicContact CG2-CG 4.38Å; R561-L588 HydrophobicContact CG-CD2 3.99Å; R561-L588 PolarHBondContact NH1-O 2.98Å; M564-L588 HydrophobicContact SD-CD1 3.91Å; M575-L588 HydrophobicContact CE-CB 3.85Å; M575-L588 HydrophobicContact CE-CD1 4.17Å; L584-L588 HydrophobicContact CD1-CD1 4.29Å; L584-L588 HydrophobicContact CD1-CG 4.29Å; L584-L588 HydrophobicContact CG-CD1 3.94Å; L584-L588 HydrophobicContact CG-CG 4.35Å; L584-L588 WeakPolarHBondContact O-CB 3.34Å; L584-L588 VanDerWaalsContact O-CG 3.24Å; L584-L588 WeakPolarHBondContact O-CG 3.5Å; L584-L588 PolarHBondContact O-N 2.99Å; I585-L588 PolarHBondContact O-N 3.34Å; I585-L588 VanDerWaalsContact O-N 3.09Å; L588-Y590 VanDerWaalsContact C-N 3.3Å
589S82.8Confident69.6Low30 Ų3081.6 Ų81.621%0.2146%0.46CS..THydrogen-bonded Turntrans-88.26.6177.471.50000113.5I585 G586 R591I585-S589 WeakPolarHBondContact O-CB 3.13Å; I585-S589 PolarHBondContact O-N 3.16Å; I585-S589 PolarHBondContact O-OG 3.29Å; I585-S589 VanDerWaalsContact O-OG 3.13Å; G586-S589 WeakPolarHBondContact CA-OG 3.31Å; G586-S589 PolarHBondContact O-OG 3.19Å; S589-R591 PolarHBondContact O-N 3.09Å; S589-R591 WeakPolarHBondContact OG-CD 3.43Å; S589-R591 VanDerWaalsContact OG-CG 3.25Å; S589-R591 WeakPolarHBondContact OG-CG 2.94Å
590Y83.1Confident68.8Low19 Ų1979.3 Ų79.38%0.07544%0.442CS..THydrogen-bonded Turntrans58.511.2-175.6-66.8-102.3000115.1N454 D518 Y519 R557 G586 L588 A592 D593N454-Y590 WeakPolarHBondContact OD1-CD2 3.36Å; D518-Y590 PolarHBondContact O-OH 3.47Å; Y519-Y590 HydrophobicContact CD1-CE1 4.38Å; Y519-Y590 HydrophobicContact CD1-CE2 4.11Å; Y519-Y590 AromaticContact CD1-CZ 3.71Å; Y519-Y590 WeakPolarHBondContact CD1-OH 3.28Å; Y519-Y590 HydrophobicContact CE1-CD1 4.41Å; Y519-Y590 HydrophobicContact CE1-CD2 4.13Å; Y519-Y590 AromaticContact CE1-CE1 3.86Å; Y519-Y590 HydrophobicContact CE1-CE1 3.86Å; Y519-Y590 AromaticContact CE1-CE2 3.55Å; Y519-Y590 HydrophobicContact CE1-CE2 3.55Å; Y519-Y590 AromaticContact CE1-CZ 3.39Å; R557-Y590 VanDerWaalsContact CD-CZ 3.42Å; G586-Y590 PolarHBondContact O-N 3.12Å; L588-Y590 VanDerWaalsContact C-N 3.3Å; Y590-A592 PolarHBondContact O-N 3.32Å; Y590-D593 PolarHBondContact O-N 2.77Å
591R71.9Confident67.9Low132 Ų13279.7 Ų79.750%0.49845%0.449SS..G310 helixtrans-64.9-26.6177-76.1176.8-176.61762.8112.8G586 S589 D593G586-R591 PolarHBondContact O-N 3.38Å; S589-R591 PolarHBondContact O-N 3.09Å; S589-R591 WeakPolarHBondContact OG-CD 3.43Å; S589-R591 VanDerWaalsContact OG-CG 3.25Å; S589-R591 WeakPolarHBondContact OG-CG 2.94Å; R591-D593 PolarHBondContact O-N 3.19Å
592A58.3Low66.7Low71 Ų7179.6 Ų79.659%0.58744%0.444SS*.G310 helixtrans-70.8-19.1177.800000113.7G586 Y590G586-A592 PolarHBondContact O-N 2.67Å; Y590-A592 PolarHBondContact O-N 3.32Å
593D53.6Low65.6Low98 Ų9877.6 Ų77.652%0.52443%0.427SS..G310 helixtrans-109.16.3-176.6-57.5-34.8000112R557 Y590 R591 P595R557-D593 IonicContact CZ-OD2 3.17Å; R557-D593 IonicContact NH1-OD2 2.73Å; R557-D593 PolarHBondContact NH1-OD2 3.16Å; R557-D593 IonicContact NH2-OD1 3.93Å; R557-D593 IonicContact NH2-OD2 2.72Å; R557-D593 PolarHBondContact NH2-OD2 2.87Å; Y590-D593 PolarHBondContact O-N 2.77Å; R591-D593 PolarHBondContact O-N 3.19Å; D593-P595 WeakPolarHBondContact O-CD 3.16Å
594D51.5Low64.2Low46 Ų4668.2 Ų68.225%0.24640%0.4CS..  trans-93.3112.2-179.6-177.89.6000111.2Y596 G597D594-Y596 PolarHBondContact O-N 3.1Å; D594-Y596 PolarHBondContact OD1-N 3.01Å; D594-G597 PolarHBondContact OD2-N 2.95Å
595P39.2Very low62.6Low114 Ų11469.1 Ų69.174%0.7441%0.407SS*.THydrogen-bonded Turntrans-69.5-7.5176.326.1-30.3000114.2D593D593-P595 WeakPolarHBondContact O-CD 3.16Å
596Y38.3Very low60.9Low206 Ų20672.7 Ų72.781%0.80843%0.43SS*.THydrogen-bonded Turntrans-117.36.5-176.9-65.4-76.9000115.6D594 G598D594-Y596 PolarHBondContact O-N 3.1Å; D594-Y596 PolarHBondContact OD1-N 3.01Å; Y596-G598 VanDerWaalsContact C-N 3.33Å; Y596-G598 PolarHBondContact O-N 2.56Å
597G34.3Very low59Low72 Ų7277.2 Ų77.274%0.74245%0.451SS*.SBendtrans51.634.3157.600000118D594D594-G597 PolarHBondContact OD2-N 2.95Å
598G40.2Very low56.5Low68 Ų6881.3 Ų81.370%0.70148%0.48SS*.  trans-159.97.3-172.200000119.2Y596Y596-G598 VanDerWaalsContact C-N 3.33Å; Y596-G598 PolarHBondContact O-N 2.56Å
599L36.5Very low53.6Low120 Ų12088.7 Ų88.763%0.62852%0.524SS*.  trans-93.30-178.1-83.5164.6000115.5K414K414-L599 PolarHBondContact NZ-OXT 3.31Å

Retrieved 599 of 599 residues in 187.2 ms (Link to these results)