CC187_HUMAN Loading...

Isoform 2 of Coiled-coil domain-containing protein 187 AlphaSync

Canonical isoform description:

AlphaFold DB , UniProt , Accession A0A096LP49-2 (canonical: A0A096LP49), Species HUMAN (Homo sapiens, Human), Gene CCDC187, Length 965 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
1M41.6Very low46.1Very low218 Ų218141.6 Ų141.6100%1.07481%0.809SS**  01230-59.284.380.500107
2W38.6Very low45.5Very low246 Ų246142.4 Ų142.493%0.93281%0.809SS**  71123.257-6736.4000110.5
3S45.4Very low44.9Very low109 Ų109140.5 Ų140.576%0.76281%0.809SS**  cis-141.9157.612.8-64.70000114.3
4T42.6Very low44.6Very low142 Ų142138.4 Ų138.487%0.87181%0.807SS**  trans-99.1155.8174.6-49.40000111.2
5G48.7Very low44.3Very low71 Ų71138.4 Ų138.473%0.73281%0.809SS**  trans-131.3129.4166.800000110.8
6P53.2Low44.1Very low113 Ų113137.4 Ų137.473%0.73481%0.812SS**  trans-113.5172.8-164.142.1-36.8000116.9
7E44.3Very low43.8Very low144 Ų144135.8 Ų135.867%0.67381%0.81SS**  trans52.7130.4160.4-72.7-169.490.300119.4R9E7-R9 IonicContact OE1-CZ 3.19Å; E7-R9 IonicContact OE1-NE 2.83Å; E7-R9 PolarHBondContact OE1-NE 3.14Å; E7-R9 IonicContact OE1-NH2 2.71Å; E7-R9 PolarHBondContact OE1-NH2 3.11Å
8A46.1Very low43.5Very low96 Ų96132.7 Ų132.779%0.79381%0.811SS**  -173.3167.463.400000110.6
9R48.6Very low43.6Very low193 Ų193137.4 Ų137.473%0.72881%0.812SS**  cis-164.1162.1-18-101.1-79.2172159.1-2.1107.1E7E7-R9 IonicContact OE1-CZ 3.19Å; E7-R9 IonicContact OE1-NE 2.83Å; E7-R9 PolarHBondContact OE1-NE 3.14Å; E7-R9 IonicContact OE1-NH2 2.71Å; E7-R9 PolarHBondContact OE1-NH2 3.11Å
10D43.5Very low43.4Very low148 Ų148139.1 Ų139.179%0.79182%0.816SS**  trans-76.5167.7-168.6-43.7-87.5000116.6
11G54.6Low43.1Very low78 Ų78137.2 Ų137.280%0.80481%0.811SS**  trans178.299.9169.100000114.9
12D38.2Very low42.9Very low151 Ų151133.4 Ų133.481%0.80780%0.804SS**  trans-107.3150.3-172-85.3-48.8000115.9
13S37.6Very low43Very low117 Ų117127.7 Ų127.782%0.81880%0.801SS**  trans68.5165.6161.3850000117.2
14S41.2Very low42.9Very low112 Ų112128.3 Ų128.378%0.78381%0.806SS**  cis-149.6173.87.4-143.40000113.1
15V40.2Very low42.7Very low138 Ų138125.2 Ų125.284%0.83680%0.802SS**  trans-77.6159.3-176-66.50000116.3
16S40.5Very low42.3Very low122 Ų122125.2 Ų125.285%0.85380%0.802SS**  -174.5174114.8-154.90000114.9
17S40.2Very low41.8Very low111 Ų111128.6 Ų128.678%0.77681%0.808SS**  trans-91.6160.8-161.3-64.80000117.8
18G37Very low41.6Very low80 Ų80129.5 Ų129.583%0.82582%0.817SS**  trans-142134.5153.400000111.6
19R46.8Very low41.4Very low221 Ų221130.4 Ų130.483%0.83481%0.812SS**  trans-129.9128.4-175.1-74.1178170.8-117.35112.8
20L39.1Very low40.9Very low171 Ų171127.6 Ų127.690%0.89582%0.821SS**  trans-151103.5147.8-69.9-179.2000107.1
21S37.7Very low40.7Very low100 Ų100126.3 Ų126.370%0.69982%0.818SS**  61.192.771.6-65.20000115.1
22C36.6Very low40Very low139 Ų139127.3 Ų127.394%0.93981%0.813SS**  trans-155.9121146.2-100.80000109.5
23S40.5Very low39.9Very low125 Ų125131.1 Ų131.187%0.87482%0.816SS**  trans-127.2157.1-178.7-52.40000110.3
24S42.9Very low40Very low123 Ų123134.7 Ų134.786%0.8682%0.817SS**  trans170138.8136.7-174.50000112.8
25G39.4Very low40Very low76 Ų76138.5 Ų138.578%0.78482%0.822SS**  trans69.4120.2150.600000118.9
26G39.9Very low40.3Very low71 Ų71142.1 Ų142.173%0.73282%0.821SS**  cis10978.2-5.100000115.1
27H42.3Very low41Very low185 Ų185141.5 Ų141.586%0.85681%0.814SS**  trans-159.6125.4155.6-118.163.9000112.2
28D40.9Very low41.6Very low163 Ų163141.7 Ų141.787%0.87281%0.813SS**  trans-83.5139.7166.3-89-57.6000110.8
29V41.5Very low42.2Very low114 Ų114146.1 Ų146.169%0.69181%0.812SS**  trans-137.7106.7163-174.20000109.5V31V29-V31 HydrophobicContact CG1-CG2 3.89Å; V29-V31 PolarHBondContact O-N 2.71Å
30C38.7Very low42.1Very low135 Ų135141.9 Ų141.991%0.91281%0.81SS**  trans-70.7112.9169.9-173.30000109.7
31V38.1Very low42.7Very low121 Ų121141.9 Ų141.973%0.73381%0.81SS**  trans-107.7125.6176.8-174.90000110.3V29V29-V31 HydrophobicContact CG1-CG2 3.89Å; V29-V31 PolarHBondContact O-N 2.71Å
32S41.5Very low43.4Very low98 Ų98139.5 Ų139.569%0.68580%0.801SS**  trans-68.9136.6-173.460.10000113.8K34S32-K34 PolarHBondContact O-N 2.83Å
33W34.8Very low43.9Very low232 Ų232137.9 Ų137.988%0.87979%0.789SS**SBendtrans-68.182.7178.348-85.6000113.2
34K40.9Very low44.1Very low191 Ų191140.9 Ų140.983%0.8379%0.789SS**  trans-156.760174-126.3172.4-169.8177.80116.9S32S32-K34 PolarHBondContact O-N 2.83Å
35E41.1Very low44.2Very low193 Ų193143.3 Ų143.390%0.90279%0.787SS**  trans-123.4142.3158-162.5170.1-162.800111.8
36R45.4Very low44.7Very low213 Ų213150.5 Ų150.580%0.80479%0.79SS**  trans-107113.2-170.3-166.4-175.1-148.7163.76.5108.5
37P54.9Low45.2Very low110 Ų110153.3 Ų153.371%0.71480%0.796SS**  trans-54.6138.7179.9-27.234.9000111.5Q39P37-Q39 PolarHBondContact O-N 3.43Å
38P53.5Low45.8Very low115 Ų115154.9 Ų154.975%0.74779%0.794SS**  trans-59.4139.7179.224.4-33.6000110.1V40P38-V40 VanDerWaalsContact C-N 3.31Å; P38-V40 PolarHBondContact O-N 3.36Å
39Q49.9Very low46.7Very low172 Ų172157.7 Ų157.780%0.80480%0.799SS**  trans-69.683.6-173.9-66.9177.4-1.300111.4P37 L41P37-Q39 PolarHBondContact O-N 3.43Å; Q39-L41 PolarHBondContact O-N 2.97Å
40V44.6Very low47.9Very low132 Ų132154.9 Ų154.980%0.878%0.784SS**  trans-64.4108.1168.31790000107.7P38 G42P38-V40 VanDerWaalsContact C-N 3.31Å; P38-V40 PolarHBondContact O-N 3.36Å; V40-G42 PolarHBondContact O-N 3.33Å
41L51.9Low50Low172 Ų172153.1 Ų153.190%0.90177%0.765SS**  trans-64.684.4172.9-78.4163.4000109.7Q39Q39-L41 PolarHBondContact O-N 2.97Å
42G51.8Low52.4Low49 Ų49151 Ų15151%0.50576%0.761SS.*  trans-55.5152.8171.500000111V40 Q44V40-G42 PolarHBondContact O-N 3.33Å; G42-Q44 PolarHBondContact O-N 3.12Å
43P46.8Very low54.6Low105 Ų105155.8 Ų155.868%0.68276%0.764SS**  trans-57.6116.3-174.423.6-33.7000110.3Q45P43-Q45 PolarHBondContact O-N 3.09Å
44Q45.9Very low57.2Low188 Ų188148.1 Ų148.188%0.87974%0.74SS**  trans-43.2110.3179.6-175.1-174.244.300109.8G42 R46G42-Q44 PolarHBondContact O-N 3.12Å; Q44-R46 PolarHBondContact O-N 3.16Å
45Q43.8Very low59.6Low174 Ų174141.9 Ų141.981%0.81371%0.714SS**  trans-62.2127177.7-67.1-162.81400107.7P43P43-Q45 PolarHBondContact O-N 3.09Å
46R51.4Low62.1Low227 Ų227138.3 Ų138.386%0.85770%0.697SS**  trans-53.7141.9172.7-73.8-174.9172.9-171.5-2.8108.5Q44 R48Q44-R46 PolarHBondContact O-N 3.16Å; R46-R48 PolarHBondContact O-N 3.24Å
47P49.5Very low64.4Low130 Ų130132.6 Ų132.684%0.84468%0.682SS**  trans-56.7101.3172.5-23.233.7000109.8
48R55.6Low66.3Low219 Ų219132.6 Ų132.683%0.82667%0.668SS**  trans-63.3136.4152.9-73.7-175.6169.4-164.1-3.4105.3R46 S50R46-R48 PolarHBondContact O-N 3.24Å; R48-S50 PolarHBondContact O-N 2.88Å
49K59.3Low68.2Low221 Ų221130.6 Ų130.696%0.96165%0.651SS**  trans-49.8102.5174.3-63.5-177.1177.6-172.80108.1
50S66.1Low70.4Confident55 Ų55128.5 Ų128.539%0.38564%0.639SS.*  trans-91140.4177.938.10000109R48 A52 E55R48-S50 PolarHBondContact O-N 2.88Å; S50-A52 PolarHBondContact O-N 3.39Å; S50-E55 VanDerWaalsContact CB-OE2 3.25Å; S50-E55 WeakPolarHBondContact CB-OE2 3.39Å; S50-E55 PolarHBondContact OG-OE2 2.94Å
51D83.1Confident72.7Confident98 Ų98126.7 Ų126.752%0.52462%0.624SS.*  trans-53.3125.9167.9169.49.8000109R53 L54 E55D51-R53 PolarHBondContact O-N 3.23Å; D51-R53 VanDerWaalsContact OD1-CB 3.23Å; D51-R53 WeakPolarHBondContact OD1-CB 3.34Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-L54 HydrophobicContact CB-CB 4.05Å; D51-L54 WeakPolarHBondContact O-CA 3.43Å; D51-L54 WeakPolarHBondContact O-CB 3.39Å; D51-L54 PolarHBondContact O-N 3.12Å; D51-E55 PolarHBondContact O-N 3.27Å
52A88.4Confident74.7Confident78 Ų78125.5 Ų125.565%0.64561%0.607SS**Hα-helixtrans-58.3-30.4179.900000111.9S50 E55 Q56S50-A52 PolarHBondContact O-N 3.39Å; A52-E55 PolarHBondContact O-N 2.97Å; A52-Q56 WeakPolarHBondContact O-CB 3.5Å; A52-Q56 PolarHBondContact O-N 3.32Å
53R88.3Confident76.5Confident197 Ų197125.7 Ų125.774%0.74361%0.605SS**Hα-helixtrans-69.7-35.3175-163.8-178.6-175.6-1543112D51 L57D51-R53 PolarHBondContact O-N 3.23Å; D51-R53 VanDerWaalsContact OD1-CB 3.23Å; D51-R53 WeakPolarHBondContact OD1-CB 3.34Å; D51-R53 PolarHBondContact OD1-N 2.99Å; R53-L57 WeakPolarHBondContact O-CB 3.22Å; R53-L57 PolarHBondContact O-N 2.72Å
54L90.2Very high78.6Confident71 Ų71126.8 Ų126.837%0.37260%0.601SS.*Hα-helixtrans-71.5-38.4173-179.563000111.7D51 L57 R58D51-L54 HydrophobicContact CB-CB 4.05Å; D51-L54 WeakPolarHBondContact O-CA 3.43Å; D51-L54 WeakPolarHBondContact O-CB 3.39Å; D51-L54 PolarHBondContact O-N 3.12Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-R58 WeakPolarHBondContact O-CD 3.38Å; L54-R58 VanDerWaalsContact O-CG 3.26Å; L54-R58 WeakPolarHBondContact O-CG 3.48Å; L54-R58 PolarHBondContact O-N 2.71Å
55E90.2Very high80.4Confident60 Ų60120.9 Ų120.928%0.2858%0.584SS.*Hα-helixtrans-65.1-44.9174.6-143.664.7-152.200110.6S50 D51 A52 L57 R58 D59S50-E55 VanDerWaalsContact CB-OE2 3.25Å; S50-E55 WeakPolarHBondContact CB-OE2 3.39Å; S50-E55 PolarHBondContact OG-OE2 2.94Å; D51-E55 PolarHBondContact O-N 3.27Å; A52-E55 PolarHBondContact O-N 2.97Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.86Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.86Å; E55-R58 IonicContact OE1-NH1 3.68Å; E55-R58 IonicContact OE2-CZ 3.54Å; E55-R58 IonicContact OE2-NH1 2.75Å; E55-R58 PolarHBondContact OE2-NH1 3.44Å; E55-D59 PolarHBondContact O-N 2.86Å
56Q93Very high82.2Confident118 Ų118121.3 Ų121.355%0.55158%0.578SS**Hα-helixtrans-61.4-37.7173.5-168-17231.200113A52 D59 K60A52-Q56 WeakPolarHBondContact O-CB 3.5Å; A52-Q56 PolarHBondContact O-N 3.32Å; Q56-D59 PolarHBondContact O-N 3.2Å; Q56-K60 PolarHBondContact O-N 3.43Å
57L95.2Very high83.3Confident94 Ų94116 Ų11649%0.49256%0.563SS.*Hα-helixtrans-66.5-42.4174.4179.360.2000111.5R53 L54 E55 D59 K60 I61R53-L57 WeakPolarHBondContact O-CB 3.22Å; R53-L57 PolarHBondContact O-N 2.72Å; L54-L57 PolarHBondContact O-N 3.41Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.86Å; L57-D59 VanDerWaalsContact C-N 3.28Å; L57-D59 PolarHBondContact O-N 2.98Å; L57-K60 PolarHBondContact O-N 3.3Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CG-CD1 4.15Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.15Å
58R94.9Very high84.3Confident110 Ų110117 Ų11742%0.41556%0.556SS.*Hα-helixtrans-59.9-39.6172.6-72162.4173.2172.8-2.7111.3L54 E55 I61 R62L54-R58 WeakPolarHBondContact O-CD 3.38Å; L54-R58 VanDerWaalsContact O-CG 3.26Å; L54-R58 WeakPolarHBondContact O-CG 3.48Å; L54-R58 PolarHBondContact O-N 2.71Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.86Å; E55-R58 IonicContact OE1-NH1 3.68Å; E55-R58 IonicContact OE2-CZ 3.54Å; E55-R58 IonicContact OE2-NH1 2.75Å; E55-R58 PolarHBondContact OE2-NH1 3.44Å; R58-I61 PolarHBondContact O-N 3.18Å; R58-R62 WeakPolarHBondContact O-CB 3.11Å; R58-R62 WeakPolarHBondContact O-CG 3.43Å; R58-R62 PolarHBondContact O-N 3.27Å
59D93.3Very high84.5Confident73 Ų73108.8 Ų108.839%0.3954%0.54SS..Hα-helixtrans-69.1-38.1176.7-78-34.2000113.5E55 Q56 L57 I61 R62 A63E55-D59 PolarHBondContact O-N 2.86Å; Q56-D59 PolarHBondContact O-N 3.2Å; L57-D59 VanDerWaalsContact C-N 3.28Å; L57-D59 PolarHBondContact O-N 2.98Å; D59-I61 VanDerWaalsContact C-N 3.32Å; D59-I61 PolarHBondContact O-N 3.29Å; D59-R62 PolarHBondContact O-N 3.15Å; D59-R62 IonicContact OD1-CZ 2.65Å; D59-R62 IonicContact OD1-NE 3.07Å; D59-R62 PolarHBondContact OD1-NE 3.23Å; D59-R62 IonicContact OD1-NH2 2.82Å; D59-R62 PolarHBondContact OD1-NH2 3.4Å; D59-R62 IonicContact OD2-NH2 3.12Å; D59-A63 WeakPolarHBondContact O-CB 3.48Å; D59-A63 PolarHBondContact O-N 2.7Å
60K96.2Very high84.3Confident128 Ų128102 Ų10256%0.55752%0.521SS*.Hα-helixtrans-59.7-42.9169.1-77.6-174.9173.6-1770111.8Q56 L57 A63 Q64Q56-K60 PolarHBondContact O-N 3.43Å; L57-K60 PolarHBondContact O-N 3.3Å; K60-A63 PolarHBondContact O-N 3.17Å; K60-Q64 WeakPolarHBondContact O-CB 3.24Å; K60-Q64 WeakPolarHBondContact O-CG 3.34Å; K60-Q64 PolarHBondContact O-N 2.68Å
61I92.7Very high83.4Confident94 Ų94104.5 Ų104.548%0.48254%0.537SS..Hα-helixtrans-66.5-41.3176.5-66.2165.1000111.2L57 R58 D59 Q64 A65L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CG-CD1 4.15Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.15Å; R58-I61 PolarHBondContact O-N 3.18Å; D59-I61 VanDerWaalsContact C-N 3.32Å; D59-I61 PolarHBondContact O-N 3.29Å; I61-Q64 PolarHBondContact O-N 2.92Å; I61-A65 VanDerWaalsContact O-CB 3.3Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 2.81Å
62R94.2Very high81.8Confident146 Ų146103.9 Ų103.955%0.55155%0.546SS*.Hα-helixtrans-60.2-45.3173.6-76.3-165.7-82.3-136.70.5111.5R58 D59 A65 W66R58-R62 WeakPolarHBondContact O-CB 3.11Å; R58-R62 WeakPolarHBondContact O-CG 3.43Å; R58-R62 PolarHBondContact O-N 3.27Å; D59-R62 PolarHBondContact O-N 3.15Å; D59-R62 IonicContact OD1-CZ 2.65Å; D59-R62 IonicContact OD1-NE 3.07Å; D59-R62 PolarHBondContact OD1-NE 3.23Å; D59-R62 IonicContact OD1-NH2 2.82Å; D59-R62 PolarHBondContact OD1-NH2 3.4Å; D59-R62 IonicContact OD2-NH2 3.12Å; R62-A65 PolarHBondContact O-N 3.05Å; R62-W66 WeakPolarHBondContact O-CB 3.25Å; R62-W66 PolarHBondContact O-N 2.98Å
63A89.1Confident79.8Confident54 Ų54105 Ų10545%0.44655%0.549SS..Hα-helixtrans-65.1-44.717800000112.1D59 K60 W66 Q67D59-A63 WeakPolarHBondContact O-CB 3.48Å; D59-A63 PolarHBondContact O-N 2.7Å; K60-A63 PolarHBondContact O-N 3.17Å; A63-W66 PolarHBondContact O-N 3.25Å; A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 VanDerWaalsContact O-CG 3.29Å; A63-Q67 WeakPolarHBondContact O-CG 3.38Å; A63-Q67 PolarHBondContact O-N 3.01Å
64Q90.1Very high77.5Confident128 Ų128104 Ų10460%0.59856%0.557SS**Hα-helixtrans-61.3-44175-76.2175.9-39.700112K60 I61 W66 Q67 Q68K60-Q64 WeakPolarHBondContact O-CB 3.24Å; K60-Q64 WeakPolarHBondContact O-CG 3.34Å; K60-Q64 PolarHBondContact O-N 2.68Å; I61-Q64 PolarHBondContact O-N 2.92Å; Q64-W66 VanDerWaalsContact C-N 3.33Å; Q64-W66 PolarHBondContact O-N 3.34Å; Q64-Q67 PolarHBondContact O-N 3.44Å; Q64-Q68 WeakPolarHBondContact O-CB 3.33Å; Q64-Q68 VanDerWaalsContact O-CG 3.24Å; Q64-Q68 WeakPolarHBondContact O-CG 3.46Å; Q64-Q68 PolarHBondContact O-N 2.91Å
65A84.3Confident75.3Confident64 Ų64103.9 Ų103.953%0.52957%0.573SS.*Hα-helixtrans-65.2-34.4176.500000112.7I61 R62 G69I61-A65 VanDerWaalsContact O-CB 3.3Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 2.81Å; R62-A65 PolarHBondContact O-N 3.05Å; A65-G69 PolarHBondContact O-N 3.25Å
66W80.6Confident72.8Confident182 Ų182108 Ų10869%0.68960%0.603SS**Hα-helixtrans-71.4-43.1175.6-173.175.8000112.3R62 A63 Q64 G69 S70R62-W66 WeakPolarHBondContact O-CB 3.25Å; R62-W66 PolarHBondContact O-N 2.98Å; A63-W66 PolarHBondContact O-N 3.25Å; Q64-W66 VanDerWaalsContact C-N 3.33Å; Q64-W66 PolarHBondContact O-N 3.34Å; W66-G69 PolarHBondContact O-N 3.33Å; W66-S70 WeakPolarHBondContact O-CB 3.26Å; W66-S70 PolarHBondContact O-N 3.22Å
67Q74.2Confident70.2Confident115 Ų115108.2 Ų108.254%0.53762%0.617SS.*Hα-helixtrans-61.4-47.8173.9-71.1-71.6-16.200111.6A63 Q64 G69 S70 C71A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 VanDerWaalsContact O-CG 3.29Å; A63-Q67 WeakPolarHBondContact O-CG 3.38Å; A63-Q67 PolarHBondContact O-N 3.01Å; Q64-Q67 PolarHBondContact O-N 3.44Å; Q67-G69 VanDerWaalsContact C-N 3.33Å; Q67-G69 PolarHBondContact O-N 2.84Å; Q67-S70 PolarHBondContact O-N 3.34Å; Q67-C71 PolarHBondContact O-N 2.88Å
68Q71.1Confident67.5Low151 Ų151108.1 Ų108.171%0.70663%0.63SS**Hα-helixtrans-58.9-42.8173.2-73.8-80.9-3700111.9Q64 S70 C71 A72Q64-Q68 WeakPolarHBondContact O-CB 3.33Å; Q64-Q68 VanDerWaalsContact O-CG 3.24Å; Q64-Q68 WeakPolarHBondContact O-CG 3.46Å; Q64-Q68 PolarHBondContact O-N 2.91Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.46Å; Q68-C71 PolarHBondContact O-N 3.24Å; Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 2.97Å
69G59.6Low64.9Low48 Ų48109.1 Ų109.150%0.49565%0.651SS.*Hα-helixtrans-65.3-30.1176.500000114.1A65 W66 Q67A65-G69 PolarHBondContact O-N 3.25Å; W66-G69 PolarHBondContact O-N 3.33Å; Q67-G69 VanDerWaalsContact C-N 3.33Å; Q67-G69 PolarHBondContact O-N 2.84Å
70S56.5Low61.9Low78 Ų78110.8 Ų110.855%0.54567%0.668SS.*Hα-helixtrans-71.8-35.2177.8-1630000112.3W66 Q67 Q68W66-S70 WeakPolarHBondContact O-CB 3.26Å; W66-S70 PolarHBondContact O-N 3.22Å; Q67-S70 PolarHBondContact O-N 3.34Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.46Å
71C46.2Very low58.9Low108 Ų108110.1 Ų110.173%0.7368%0.68SS**Hα-helixtrans-82.9-14.5177.7-62.20000114.2Q67 Q68 S73Q67-C71 PolarHBondContact O-N 2.88Å; Q68-C71 PolarHBondContact O-N 3.24Å; C71-S73 VanDerWaalsContact C-N 3.28Å; C71-S73 PolarHBondContact O-N 3.38Å
72A49.3Very low56.2Low85 Ų85109.8 Ų109.870%0.70269%0.691SS**THydrogen-bonded Turntrans-83.49.4-176.200000114.9Q68Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 2.97Å
73S47.1Very low53.4Low101 Ų101107.6 Ų107.671%0.70670%0.698SS**  trans-105.731.7-171.7-168.50000114.6C71C71-S73 VanDerWaalsContact C-N 3.28Å; C71-S73 PolarHBondContact O-N 3.38Å
74L39.5Very low51Low175 Ų175115.4 Ų115.492%0.91672%0.716SS**  trans-133.795.8173.4-71176.2000110.8
75G44.5Very low48.7Very low70 Ų70115.5 Ų115.572%0.72272%0.72SS**  trans15380.6169.300000116.6
76T37.9Very low46.5Very low146 Ų146119.8 Ų119.890%0.89673%0.729SS**SBendtrans174.170.1136.938.70000111.3
77S38.2Very low44.4Very low122 Ų122119.6 Ų119.685%0.85373%0.733SS**  trans177.9141.6146.539.40000109.2
78A38.3Very low42.7Very low93 Ų93118.7 Ų118.777%0.76975%0.745SS**  trans-113.4121.6178.300000110S80A78-S80 PolarHBondContact O-N 2.92Å
79P40.3Very low41.1Very low131 Ų131116.6 Ų116.685%0.85175%0.747SS**  trans-82.493.5161.732-28.6000108.7
80S29.4Very low39.9Very low108 Ų108119.5 Ų119.576%0.75576%0.755SS**  trans-90.3154.5162.3-170.80000109.7A78A78-S80 PolarHBondContact O-N 2.92Å
81S33.4Very low39Very low114 Ų114122.2 Ų122.280%0.79776%0.763SS**  trans79.3146-171.6-37.90000115.5
82A37.1Very low38.5Very low86 Ų86124.2 Ų124.271%0.71176%0.763SS**  cis163.2143.2-42.500000108.6
83S34.7Very low38.1Very low101 Ų101127.4 Ų127.471%0.70677%0.768SS**  trans64.5155.9179.2810000114.3
84R38.7Very low37.6Very low217 Ų217131.8 Ų131.882%0.81977%0.769SS**  cis-126.2132.820.3-65.5171.8-174.1-102.2-3.8109.4
85L42.6Very low37.7Very low130 Ų130133.2 Ų133.268%0.68176%0.762SS**  53.812486.9-55.8167.9000111.4
86H37.8Very low37.6Very low155 Ų155139.5 Ų139.572%0.71877%0.769SS**  cis-146.8-177.129.8-84.2-67.7000110.4
87K37.1Very low37.6Very low178 Ų178135.7 Ų135.777%0.77476%0.759SS**  cis-156.8151.5-0.8-116.6158.8-175.4-177.70104.8
88A36.9Very low37.4Very low95 Ų95138.3 Ų138.379%0.78576%0.758SS**  47.7138.674.900000115.2
89S37.4Very low37.1Very low107 Ų107141.3 Ų141.375%0.74876%0.756SS**  cis-157.9-174.5-5.1-141.10000107.3
90T35.1Very low37Very low109 Ų109138.5 Ų138.567%0.66974%0.743SS**  cis-155.2138.35.1-117.50000106.1
91L38.3Very low37.6Very low135 Ų135142.7 Ų142.771%0.70775%0.748SS**  68.6146.278.8-100.8177000117.1
92M36Very low37.7Very low150 Ų150144.7 Ų144.774%0.73975%0.75SS**  trans70.8117.5-178.9-46.1-50.7172.400115.7
93L40.6Very low38.3Very low153 Ų153146.1 Ų146.180%0.80175%0.752SS**  cis81.3104.125.9-163.791.3000115.6
94R35.8Very low39.1Very low192 Ų192146.5 Ų146.573%0.72575%0.752SS**  173.6140.4118.4-90.9-143.991.6164.99.9114.5
95R42.3Very low39.4Very low205 Ų205142 Ų14277%0.77475%0.75SS**  trans65.6160156.9-63.3173.2-177.3-154.53.4118.2
96K40.7Very low39.3Very low203 Ų203139.9 Ų139.988%0.88375%0.752SS**  cis-168.2119.7-40.7-177.8-171176.5-167.70109.4
97G38.6Very low39.5Very low65 Ų65137.6 Ų137.667%0.6775%0.751SS**  trans92.4140149.500000118.6
98Q34.6Very low39.3Very low178 Ų178137.9 Ų137.983%0.83276%0.755SS**  trans61.8145.7150.3-70.8-174.1-78.600119.7
99E32.1Very low39.2Very low156 Ų156139.8 Ų139.873%0.72976%0.761SS**  cis-163.9170.1-21.5-154.6173.1112.100110
100A38.2Very low39Very low71 Ų71140 Ų14059%0.58776%0.762SS**  trans77.8133.6150.500000121.6
101K40.7Very low39.1Very low196 Ų196138 Ų13885%0.85276%0.763SS**  trans65.398.9154-64.3165.5-176.7176.30116.9
102N37.1Very low39Very low157 Ų157141 Ų14184%0.8477%0.771SS**  66.4139.967.9-77.4-16.5000115.7
103P49.4Very low38.9Very low116 Ų116138.8 Ų138.875%0.75377%0.77SS**  -121.3-109.5-127.523.51.8000116.8
104P50Low39Very low109 Ų109138.2 Ų138.271%0.70877%0.767SS**  trans-115.8-167.2-133.145.7-27.7000111.8
105P46.6Very low39.4Very low121 Ų121136.2 Ų136.279%0.78677%0.77SS**  -144.3-173.76739.2-18.7000114.7
106A40Very low39.1Very low87 Ų87131.7 Ų131.772%0.71977%0.77SS**  trans-87.2172.6158.400000109.5
107P42.4Very low38.8Very low106 Ų106126.7 Ų126.769%0.68877%0.766SS**  -147.2-169.26341.3-20.8000115.4
108E32.7Very low38.8Very low184 Ų184128.6 Ų128.686%0.8678%0.775SS**  trans42.6122.2149.4-73.4163.7-139.600121.7
109C33.7Very low38.7Very low136 Ų136127.4 Ų127.492%0.91977%0.77SS**  -159.3156.8126.3-144.90000113.6
110S34.2Very low38.9Very low110 Ų110131.9 Ų131.977%0.76978%0.78SS**  trans-81.4159.9179.9-1750000113.6
111G37.3Very low38.8Very low67 Ų67138.5 Ų138.569%0.69179%0.79SS**  trans-166.994179.900000117
112F36Very low38.7Very low199 Ų199135.8 Ų135.887%0.87379%0.789SS**  trans-3.3155.7143.8-58.7-76.9000120.3
113S34.7Very low38.8Very low103 Ų103136.9 Ų136.972%0.7279%0.789SS**  cis-179.4-155.5-7.5179.80000108.6
114I41.9Very low38Very low141 Ų141135.4 Ų135.472%0.72379%0.787SS**  trans102.4106.7152-58179.3000118.4
115L44.3Very low37.5Very low150 Ų150139.6 Ų139.679%0.78579%0.794SS**  trans69.5127.5159.5-58.5168000118
116S35.7Very low37Very low111 Ų111138 Ų13878%0.77679%0.791SS**  cis73.8149.432.4-47.80000115
117A33.8Very low37Very low97 Ų97139.4 Ų139.480%0.80280%0.795SS**  cis179.8130.9-29.900000107.1
118A38.8Very low36.7Very low105 Ų105143.7 Ų143.787%0.86881%0.806SS**  trans-166.8122.1165.700000112.5
119E33.6Very low37Very low153 Ų153138.3 Ų138.372%0.71580%0.8SS**  trans-80.9152.4163.6-70.817788.600111.1R121E119-R121 IonicContact OE1-NE 3.6Å
120R36.9Very low37Very low250 Ų250141.3 Ų141.394%0.94380%0.8SS**  trans-140137.9132.8-73.4-160.2-174.3-173.74.1110.7
121R35.2Very low37.1Very low211 Ų211139.3 Ų139.380%0.79680%0.797SS**  trans-94-161.9173.9-59.2-179.6176.3-160.8-0.2110.6E119E119-R121 IonicContact OE1-NE 3.6Å
122V39.6Very low37Very low138 Ų138146 Ų14684%0.83680%0.802SS**  trans95.8126.2176.5-175.70000113.1
123E38.5Very low36.9Very low181 Ų181142.6 Ų142.685%0.84679%0.788SS**  cis171.1165-36.4174.7160.1-149.400106.3
124A32.9Very low37.4Very low84 Ų84144.9 Ų144.969%0.69479%0.792SS**  trans-68.8164.3-171.200000113.6
125K39.8Very low37.1Very low198 Ų198143.4 Ų143.486%0.86179%0.794SS**  -171.6156.564.7-85.3-172.1176.8176.90115.7
126A34.5Very low36.5Very low88 Ų88147.3 Ų147.373%0.72780%0.798SS**  trans30.1131.613800000123.6
127S41.6Very low36.5Very low116 Ų116148.7 Ų148.781%0.81180%0.802SS**  -166.7136.1118.7-75.60000107.8
128H35.2Very low36.5Very low195 Ų195147.9 Ų147.990%0.90379%0.79SS**  cis74.9130.347.5-96.954.6000115.7
129G38.2Very low36.2Very low72 Ų72150 Ų15074%0.74278%0.782SS**  trans126.2105.2-168.800000110.5
130Q34.3Very low36.2Very low198 Ų198149.7 Ų149.793%0.92578%0.78SS**  cis105.2124.224-169.7171-35.100112.8
131G37.2Very low36.1Very low68 Ų68145.6 Ų145.670%0.70177%0.772SS**  trans138.9101.5-169.200000108.8
132R34.2Very low36.2Very low209 Ų209142.1 Ų142.179%0.78977%0.774SS**  cis59130.448.7-89.2-168.6-169-1011.1112.2
133E34.5Very low36.3Very low126 Ų126140.8 Ų140.859%0.58977%0.768SS**  cis-168.9174.3-1.2-154.7172.6172.800112.1
134L45.4Very low36.1Very low151 Ų151137.7 Ų137.779%0.79176%0.761SS**  trans68157.4164.2-51.4177.5000116.6
135S34.6Very low36.3Very low111 Ų111142.2 Ų142.278%0.77677%0.773SS**  cis-138170.4-5.6-160.40000112.6
136R32.1Very low36.2Very low232 Ų232141.9 Ų141.988%0.87577%0.766SS**  trans-88.9-167-178.3-61.9174.5164.8-149.5-1.6112.6
137V35.3Very low36.4Very low140 Ų140145.9 Ų145.985%0.84877%0.77SS**  trans88.9136.3162.4-175.50000114.5
138S33.7Very low36.4Very low79 Ų79148.8 Ų148.855%0.55277%0.768SS**  cis-168.6174.6-27.7-165.70000109.4
139Q33.6Very low36.6Very low151 Ų151145.2 Ų145.271%0.70676%0.762SS**  trans32.6119.5145.6-76.3152.5-39.400118.8
140H33.2Very low37Very low146 Ų146151.5 Ų151.568%0.67677%0.769SS**  -174.8151.663.8-97.2-51000115.4
141Q34.7Very low37.2Very low164 Ų164153.2 Ų153.277%0.76677%0.767SS**  trans51.9114140.4-59.7-177.634.800121.9
142V38Very low37.5Very low138 Ų138156.8 Ų156.884%0.83678%0.775SS**  trans-71.3145.3153173.60000110.5
143P41.1Very low37.8Very low110 Ų110155.6 Ų155.671%0.71478%0.775SS**  trans-137125.4143.932.2-16.5000115.9
144V33Very low37.7Very low116 Ų116155.6 Ų155.670%0.70379%0.789SS**  trans53.8103.6135.3-171.70000118.9R146V144-R146 HydrophobicContact CG1-CB 4.19Å; V144-R146 PolarHBondContact O-N 2.93Å; V144-R146 VanDerWaalsContact O-N 3.16Å
145L37.6Very low37.6Very low178 Ų178153.5 Ų153.593%0.93279%0.787SS**  trans-76.598159.6-159.8161.1000109.2
146R39.1Very low37.9Very low192 Ų192153.1 Ų153.173%0.72578%0.784SS**  trans-81.8115-163.4-161.5-173.7-158.1-81.211.1113.5V144V144-R146 HydrophobicContact CG1-CB 4.19Å; V144-R146 PolarHBondContact O-N 2.93Å; V144-R146 VanDerWaalsContact O-N 3.16Å
147E37.6Very low37.9Very low172 Ų172148.5 Ų148.580%0.80479%0.786SS**  trans-56.1148.7168.5-87.5-164.3115.400112.9
148K42.7Very low38.4Very low177 Ų177151.7 Ų151.777%0.7779%0.789SS**  trans-139.585.3172.1-75.9-171.5176.3177.30111.3K150K148-K150 PolarHBondContact O-N 3.19Å
149P37.5Very low38.9Very low120 Ų120158.7 Ų158.778%0.77980%0.803SS**  trans-69.7101.4170.128.7-33.4000109.8R151P149-R151 PolarHBondContact O-N 3.38Å
150K47.2Very low39.2Very low203 Ų203158.8 Ų158.888%0.88380%0.803SS**  trans-85101.9-176.4-156174.3-172.9-178.20110.6K148 V152K148-K150 PolarHBondContact O-N 3.19Å; K150-V152 PolarHBondContact O-N 3.19Å
151R38.3Very low39.6Very low234 Ų234160.2 Ų160.288%0.88381%0.808SS**  trans-42.1128.9172.1-77.6179.2164.6-166.5-4.5111.8P149P149-R151 PolarHBondContact O-N 3.38Å
152V45Very low39.7Very low144 Ų144158.8 Ų158.887%0.87381%0.81SS**  trans-105.3135.7150.3179.60000106.8K150K150-V152 PolarHBondContact O-N 3.19Å
153K40.6Very low40.2Very low184 Ų184157.9 Ų157.980%0.881%0.807SS**  trans-80.2145-170.3-68.5176.5177.2178.10111.6
154S31.7Very low40Very low125 Ų125162 Ų16287%0.87481%0.814SS**  trans-72.2129.4159.339.80000110.3
155S42.7Very low40Very low107 Ų107164.7 Ų164.775%0.74882%0.823SS**  trans-167.5135.9166.654.10000108.5
156S42.2Very low40.3Very low103 Ų103162 Ų16272%0.7282%0.816SS**  cis-174.3131.5-16.739.70000104.5K158S156-K158 PolarHBondContact O-N 3.38Å; S156-K158 VanDerWaalsContact O-N 3.17Å
157C31.5Very low40Very low135 Ų135157.8 Ų157.891%0.91282%0.816SS**PPolyproline II helixtrans-63.3118.2-176.942.60000111.8
158K44.7Very low40Very low208 Ų208155.5 Ų155.590%0.90482%0.816SS**PPolyproline II helixtrans-83.5126.2163.6-92.1-82.7-175169.80108.4S156S156-K158 PolarHBondContact O-N 3.38Å; S156-K158 VanDerWaalsContact O-N 3.17Å
159R44.9Very low39.6Very low226 Ų226158.8 Ų158.885%0.85382%0.824SS**PPolyproline II helixtrans-81.9173.2178.9-158.6-178.4-169.8-175.23.3110
160E40.9Very low39.6Very low152 Ų152164.4 Ų164.471%0.7183%0.83SS**  trans71.9146.3166.8-88.8179.484.700116.9
161K40.8Very low39Very low177 Ų177159.5 Ų159.577%0.7783%0.827SS**  cis-127.6155.43.1-67.6-172.8170172.30112.4
162T37.7Very low39.1Very low133 Ų133153.3 Ų153.382%0.81683%0.826SS**PPolyproline II helixtrans-95.4125.8176.2-51.60000111.8
163P46.9Very low39Very low119 Ų119156.4 Ų156.477%0.77383%0.827SS**PPolyproline II helixtrans-82.7143.8158.1-8.727.3000110.7
164K37.3Very low39.1Very low198 Ų198154.9 Ų154.986%0.86183%0.828SS**PPolyproline II helixtrans-81155.7-175.3-65.6173.3-180174.60112.6P166K164-P166 WeakPolarHBondContact O-CD 3.44Å
165L32.6Very low39.5Very low172 Ų172158.2 Ų158.290%0.90183%0.827SS**PPolyproline II helixtrans-59.4132.2167-68.4162.1000111.7
166P44.5Very low39.7Very low120 Ų120160 Ų16078%0.77982%0.823SS**PPolyproline II helixtrans-82.3131.5150.4-8.127000109.5K164K164-P166 WeakPolarHBondContact O-CD 3.44Å
167S33.1Very low39.8Very low104 Ų104163.7 Ų163.773%0.72783%0.826SS**PPolyproline II helixtrans-75.2143.9178.2-1750000111.6R169S167-R169 PolarHBondContact O-N 3.45Å; S167-R169 VanDerWaalsContact O-N 3.15Å
168P36.3Very low41Very low124 Ų124163.6 Ų163.681%0.80582%0.817SS**  trans-70.1108.8-178.628.2-35.3000112.2
169R34.4Very low41.3Very low246 Ų246160.4 Ų160.493%0.92881%0.805SS**  trans-92.1148164.1-84.3-171.3168.3-169.2-3.3111.2S167S167-R169 PolarHBondContact O-N 3.45Å; S167-R169 VanDerWaalsContact O-N 3.15Å
170R37.6Very low41.5Very low239 Ų239154.6 Ų154.690%0.90279%0.791SS**  trans-90.9150.5-166.2-61.8-177.3-179.7-177.20.8113.3
171A35.2Very low42.2Very low99 Ų99151.3 Ų151.382%0.81879%0.785SS**  trans51.3104139.600000119.4
172A41.1Very low42.8Very low105 Ų105151 Ų15187%0.86879%0.786SS**  -112.7143.8129.900000107.9
173K41.8Very low43.8Very low208 Ų208150 Ų15090%0.90478%0.775SS**  trans-92.7131.2168.5-70.5175177.7174.20107.9
174D43.3Very low44.9Very low153 Ų153148.8 Ų148.882%0.81877%0.765SS**  trans-151.5174.9138.1-140.3-26.6000111.7
175K39.5Very low46.9Very low195 Ų195141.5 Ų141.585%0.84875%0.747SS**  trans-87.9115.9-161.6-61.4170.5-173.3173.20112.7
176H46.7Very low49.2Very low145 Ų145136.9 Ų136.967%0.67173%0.725SS**  trans-137.3117.7158.4-139.3-96.3000106.1
177K45.4Very low51Low180 Ų180138 Ų13878%0.78372%0.715SS**  trans-145.7-18.2-171.9-118.5-163173.8-158.90118.5
178D55.5Low53.4Low133 Ų133135.7 Ų135.771%0.71170%0.702SS**SBendtrans-110.2-31.4-173.5-58.1-72.5000113.1D180 S181D178-D180 PolarHBondContact O-N 3.15Å; D178-S181 WeakPolarHBondContact O-CB 3.47Å; D178-S181 PolarHBondContact O-N 3.07Å; D178-S181 PolarHBondContact O-OG 2.92Å
179E52Low55.7Low140 Ų140138.2 Ų138.265%0.65470%0.695SS**THydrogen-bonded Turntrans-59.9-30.1-178.1-69.2-70.1124.400115.8S181E179-S181 PolarHBondContact O-N 2.82Å
180D48.5Very low58.3Low104 Ų104134.2 Ų134.256%0.55668%0.68SS**Hα-helixtrans-65.6-21.4-178.4-80-40.8000112.7D178 E182 L183 V184D178-D180 PolarHBondContact O-N 3.15Å; D180-E182 PolarHBondContact O-N 3.41Å; D180-L183 PolarHBondContact O-N 2.9Å; D180-V184 WeakPolarHBondContact O-CG2 3.48Å; D180-V184 PolarHBondContact O-N 3.2Å; D180-V184 VanDerWaalsContact O-N 3.15Å
181S55.7Low60.8Low84 Ų84128.6 Ų128.659%0.58766%0.662SS**Hα-helixtrans-67.5-35.8-170.1-56.80000113.7D178 E179D178-S181 WeakPolarHBondContact O-CB 3.47Å; D178-S181 PolarHBondContact O-N 3.07Å; D178-S181 PolarHBondContact O-OG 2.92Å; E179-S181 PolarHBondContact O-N 2.82Å
182E53.8Low63.4Low169 Ų169125.5 Ų125.579%0.7964%0.64SS**Hα-helixtrans-74.9-36.6178.5-59.5-152.815000111.8D180 V184 G185D180-E182 PolarHBondContact O-N 3.41Å; E182-V184 VanDerWaalsContact C-N 3.27Å; E182-V184 PolarHBondContact O-N 3.23Å; E182-G185 PolarHBondContact O-N 2.84Å
183L58.9Low65.6Low112 Ų112123.4 Ų123.459%0.58661%0.613SS**Hα-helixtrans-64-32.8175.2-67.6178.1000112D180 G185 V186 Y187D180-L183 PolarHBondContact O-N 2.9Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.9Å; L183-V186 PolarHBondContact O-N 2.94Å; L183-Y187 WeakPolarHBondContact O-CB 3.36Å; L183-Y187 PolarHBondContact O-N 3.45Å
184V70.2Confident67.8Low95 Ų95115.8 Ų115.858%0.57659%0.588SS**Hα-helixtrans-55.9-42.6173.7166.60000111.4D180 E182 A188D180-V184 WeakPolarHBondContact O-CG2 3.48Å; D180-V184 PolarHBondContact O-N 3.2Å; D180-V184 VanDerWaalsContact O-N 3.15Å; E182-V184 VanDerWaalsContact C-N 3.27Å; E182-V184 PolarHBondContact O-N 3.23Å; V184-A188 WeakPolarHBondContact O-CB 3.48Å; V184-A188 PolarHBondContact O-N 2.92Å
185G79.7Confident69.8Low45 Ų45113.7 Ų113.746%0.46458%0.576SS.*Hα-helixtrans-62.3-51.5179.200000112.9E182 L183 Y187 A188 W189E182-G185 PolarHBondContact O-N 2.84Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.9Å; G185-Y187 PolarHBondContact O-N 2.99Å; G185-A188 PolarHBondContact O-N 3.41Å; G185-W189 PolarHBondContact O-N 3.48Å
186V80Confident72Confident74 Ų74107.6 Ų107.645%0.44856%0.556SS.*Hα-helixtrans-70.4-32.9-178.6-167.80000111.7L183 R190L183-V186 PolarHBondContact O-N 2.94Å; V186-R190 WeakPolarHBondContact O-CB 3.48Å; V186-R190 WeakPolarHBondContact O-CG 3.38Å; V186-R190 PolarHBondContact O-N 3.21Å; V186-R190 VanDerWaalsContact O-N 3.07Å
187Y81.6Confident73.9Confident144 Ų144107.5 Ų107.557%0.56555%0.549SS*.Hα-helixtrans-69.5-44.1173.3-179.5-110.9000111.8L183 G185 W189 R190 K191L183-Y187 WeakPolarHBondContact O-CB 3.36Å; L183-Y187 PolarHBondContact O-N 3.45Å; G185-Y187 PolarHBondContact O-N 2.99Å; Y187-W189 PolarHBondContact O-N 3.46Å; Y187-R190 PolarHBondContact O-N 3.02Å; Y187-K191 HydrophobicContact CD1-CG 4.39Å; Y187-K191 HydrophobicContact CE1-CG 4.06Å; Y187-K191 HydrophobicContact CE2-CG 4.25Å; Y187-K191 VanDerWaalsContact CZ-CE 3.49Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 2.86Å; Y187-K191 WeakPolarHBondContact OH-CE 3.32Å
188A84.5Confident75.7Confident55 Ų55102.8 Ų102.846%0.45554%0.539SS..Hα-helixtrans-61.2-42.5175.100000111.6V184 G185 K191 G192V184-A188 WeakPolarHBondContact O-CB 3.48Å; V184-A188 PolarHBondContact O-N 2.92Å; G185-A188 PolarHBondContact O-N 3.41Å; A188-K191 PolarHBondContact O-N 3.38Å; A188-G192 PolarHBondContact O-N 2.93Å
189W84.5Confident77.1Confident177 Ų177102 Ų10267%0.6753%0.534SS*.Hα-helixtrans-60.8-47.1173.3179.6-110.7000112.2G185 Y187 K191 G192 Q193G185-W189 PolarHBondContact O-N 3.48Å; Y187-W189 PolarHBondContact O-N 3.46Å; W189-K191 PolarHBondContact O-N 2.81Å; W189-G192 PolarHBondContact O-N 3.2Å; W189-Q193 HydrophobicContact CD2-CG 4.39Å; W189-Q193 HydrophobicContact CZ2-CG 4.41Å; W189-Q193 WeakPolarHBondContact O-CG 3.16Å; W189-Q193 PolarHBondContact O-N 2.69Å
190R89.5Confident78.6Confident162 Ų162101.5 Ų101.561%0.61154%0.535SS*.Hα-helixtrans-64.3-38.4177-75.8-172-82.8-145.92.1112.4V186 Y187 A194V186-R190 WeakPolarHBondContact O-CB 3.48Å; V186-R190 WeakPolarHBondContact O-CG 3.38Å; V186-R190 PolarHBondContact O-N 3.21Å; V186-R190 VanDerWaalsContact O-N 3.07Å; Y187-R190 PolarHBondContact O-N 3.02Å; R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.07Å
191K89.7Confident80.2Confident121 Ų12197.9 Ų97.953%0.52652%0.522SS..Hα-helixtrans-63-44.9170.9-84.7-79-172.91720112.1Y187 A188 W189 A194 L195Y187-K191 HydrophobicContact CD1-CG 4.39Å; Y187-K191 HydrophobicContact CE1-CG 4.06Å; Y187-K191 HydrophobicContact CE2-CG 4.25Å; Y187-K191 VanDerWaalsContact CZ-CE 3.49Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 2.86Å; Y187-K191 WeakPolarHBondContact OH-CE 3.32Å; A188-K191 PolarHBondContact O-N 3.38Å; W189-K191 PolarHBondContact O-N 2.81Å; K191-A194 PolarHBondContact O-N 3.4Å; K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 PolarHBondContact O-N 3.37Å
192G89.6Confident81.4Confident34 Ų3499.6 Ų99.635%0.35153%0.531SS..Hα-helixtrans-60.1-48.1176.600000111.9A188 W189 A194 L195 V196A188-G192 PolarHBondContact O-N 2.93Å; W189-G192 PolarHBondContact O-N 3.2Å; G192-A194 VanDerWaalsContact C-N 3.32Å; G192-A194 PolarHBondContact O-N 2.94Å; G192-L195 WeakPolarHBondContact O-CB 3.43Å; G192-L195 PolarHBondContact O-N 3.35Å; G192-L195 VanDerWaalsContact O-N 3.14Å; G192-V196 WeakPolarHBondContact O-CG2 3.29Å; G192-V196 PolarHBondContact O-N 3.48Å
193Q87.2Confident82.3Confident62 Ų6296 Ų9629%0.2952%0.522SS..Hα-helixtrans-60.6-38174.4-70.8-69.9-20.800112.6W189 R197W189-Q193 HydrophobicContact CD2-CG 4.39Å; W189-Q193 HydrophobicContact CZ2-CG 4.41Å; W189-Q193 WeakPolarHBondContact O-CG 3.16Å; W189-Q193 PolarHBondContact O-N 2.69Å; Q193-R197 WeakPolarHBondContact O-CB 3.49Å; Q193-R197 VanDerWaalsContact O-CG 3.28Å; Q193-R197 WeakPolarHBondContact O-CG 3.12Å; Q193-R197 PolarHBondContact O-N 2.87Å
194A87.2Confident82.7Confident47 Ų4796.2 Ų96.239%0.38853%0.531SS..Hα-helixtrans-68.1-38.2173.500000112.7R190 K191 G192 R197 S198R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.07Å; K191-A194 PolarHBondContact O-N 3.4Å; G192-A194 VanDerWaalsContact C-N 3.32Å; G192-A194 PolarHBondContact O-N 2.94Å; A194-R197 PolarHBondContact O-N 2.94Å; A194-S198 WeakPolarHBondContact O-CB 3.4Å; A194-S198 PolarHBondContact O-N 2.81Å; A194-S198 PolarHBondContact O-OG 3.39Å
195L87.2Confident82.3Confident109 Ų10998.1 Ų98.157%0.57154%0.543SS*.Hα-helixtrans-66-45175.5-162.8101.3000111.2K191 G192 R197 S198 L199K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 PolarHBondContact O-N 3.37Å; G192-L195 WeakPolarHBondContact O-CB 3.43Å; G192-L195 PolarHBondContact O-N 3.35Å; G192-L195 VanDerWaalsContact O-N 3.14Å; L195-R197 PolarHBondContact O-N 3.21Å; L195-S198 CarbonylContact O-C 3.57Å; L195-S198 WeakPolarHBondContact O-CA 3.45Å; L195-S198 WeakPolarHBondContact O-CB 3.15Å; L195-S198 PolarHBondContact O-N 2.8Å; L195-L199 HydrophobicContact CD2-CD1 3.84Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CG 3.39Å; L195-L199 PolarHBondContact O-N 2.75Å
196V85.4Confident81.1Confident68 Ų68103.5 Ų103.541%0.41256%0.56SS.*Hα-helixtrans-58.6-46.4175170.30000110.9G192 S198 L199 L200G192-V196 WeakPolarHBondContact O-CG2 3.29Å; G192-V196 PolarHBondContact O-N 3.48Å; V196-S198 VanDerWaalsContact C-N 3.27Å; V196-S198 PolarHBondContact O-N 3.02Å; V196-L199 PolarHBondContact O-N 2.82Å; V196-L200 HydrophobicContact CG1-CD1 3.79Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 3.32Å
197R86.3Confident79.6Confident143 Ų143110.6 Ų110.654%0.5458%0.579SS.*Hα-helixtrans-62.6-31.4173.4-71169.1-174.9138.12.3113Q193 A194 L195 G201Q193-R197 WeakPolarHBondContact O-CB 3.49Å; Q193-R197 VanDerWaalsContact O-CG 3.28Å; Q193-R197 WeakPolarHBondContact O-CG 3.12Å; Q193-R197 PolarHBondContact O-N 2.87Å; A194-R197 PolarHBondContact O-N 2.94Å; L195-R197 PolarHBondContact O-N 3.21Å; R197-G201 CarbonylContact O-C 3.33Å; R197-G201 WeakPolarHBondContact O-CA 3.24Å; R197-G201 PolarHBondContact O-N 3.28Å
198S83.3Confident77.9Confident80 Ų80114.2 Ų114.256%0.55959%0.591SS**Hα-helixtrans-75.2-29.1177-58.30000113.4A194 L195 V196A194-S198 WeakPolarHBondContact O-CB 3.4Å; A194-S198 PolarHBondContact O-N 2.81Å; A194-S198 PolarHBondContact O-OG 3.39Å; L195-S198 CarbonylContact O-C 3.57Å; L195-S198 WeakPolarHBondContact O-CA 3.45Å; L195-S198 WeakPolarHBondContact O-CB 3.15Å; L195-S198 PolarHBondContact O-N 2.8Å; V196-S198 VanDerWaalsContact C-N 3.27Å; V196-S198 PolarHBondContact O-N 3.02Å
199L83.6Confident76Confident117 Ų117120.1 Ų120.161%0.61361%0.609SS**Hα-helixtrans-89.9-40.1-179.4-70.3171.6000113.3L195 V196L195-L199 HydrophobicContact CD2-CD1 3.84Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CG 3.39Å; L195-L199 PolarHBondContact O-N 2.75Å; V196-L199 PolarHBondContact O-N 2.82Å
200L85.1Confident74.1Confident129 Ų129119.7 Ų119.768%0.67561%0.614SS**Hα-helixtrans-95.4-22.3-177.9-57.8-174.8000113.3V196V196-L200 HydrophobicContact CG1-CD1 3.79Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 3.32Å
201G81.4Confident71.8Confident28 Ų28117.1 Ų117.129%0.28962%0.621SS.*  trans92.7178.8-169.300000112.8R197R197-G201 CarbonylContact O-C 3.33Å; R197-G201 WeakPolarHBondContact O-CA 3.24Å; R197-G201 PolarHBondContact O-N 3.28Å
202P80.1Confident69.6Low120 Ų120120.7 Ų120.778%0.77964%0.636SS**SBendtrans-65.7144.4173.228.8-34.4000110.8
203P73.2Confident67.3Low93 Ų93126.3 Ų126.360%0.60466%0.658SS**PPolyproline II helixtrans-64.1150.3175.728.3-34.9000111.1V205P203-V205 PolarHBondContact O-N 3.11Å
204P67.7Low65.1Low117 Ų117129.4 Ų129.476%0.7668%0.684SS**PPolyproline II helixtrans-64.2124.3179.726.6-34.1000110.9L206P204-L206 PolarHBondContact O-N 3.02Å
205V62.9Low62.9Low136 Ų136132.5 Ų132.582%0.82470%0.703SS**  trans-72.1100.4178.8-178.70000109.5P203 R207P203-V205 PolarHBondContact O-N 3.11Å; V205-R207 PolarHBondContact O-N 3.43Å; V205-R207 VanDerWaalsContact O-N 3.15Å
206L53Low60.6Low157 Ų157138.7 Ų138.782%0.82272%0.719SS**  trans-64.1111.1167.5-64.1178000108.8P204 R208P204-L206 PolarHBondContact O-N 3.02Å; L206-R208 PolarHBondContact O-N 2.96Å; L206-R208 VanDerWaalsContact O-N 3.07Å
207R47.9Very low58.3Low224 Ų224142.4 Ų142.485%0.84574%0.736SS**  trans-66.2107.6170.3-82.8-168.4168.4-147.6-3.7109V205 H209V205-R207 PolarHBondContact O-N 3.43Å; V205-R207 VanDerWaalsContact O-N 3.15Å; R207-H209 PolarHBondContact O-N 2.91Å
208R46.1Very low56.5Low220 Ų220141.2 Ų141.283%0.8375%0.747SS**  trans-58.5124.2161-70-169.4-177.9-157.32107.9L206 H210L206-R208 PolarHBondContact O-N 2.96Å; L206-R208 VanDerWaalsContact O-N 3.07Å; R208-H210 PolarHBondContact O-N 3.42Å
209H45.1Very low54.2Low179 Ų179141.3 Ų141.383%0.82975%0.752SS**  trans-74.6112.5167.5-81.1-117.7000107.6R207 S211R207-H209 PolarHBondContact O-N 2.91Å; H209-S211 PolarHBondContact O-N 3.11Å
210H44.4Very low52.3Low168 Ų168143.2 Ų143.278%0.77876%0.762SS**  trans-79.294.6170-69.3-92.5000108.6R208R208-H210 PolarHBondContact O-N 3.42Å
211S42.3Very low50.2Low108 Ų108142.5 Ų142.576%0.75576%0.763SS**  trans-62.9141.115242.90000108.3H209H209-S211 PolarHBondContact O-N 3.11Å
212K43.8Very low48.6Very low196 Ų196146.9 Ų146.985%0.85278%0.784SS**  trans-149.983.9-174.7-161.3178.7-172.5-175.10109.8
213D39.7Very low46.8Very low152 Ų152147.7 Ų147.781%0.81378%0.782SS**  trans-76.3139.4176.9-64.3-60.9000111
214P40.9Very low45.7Very low126 Ų126150.8 Ų150.882%0.81879%0.793SS**  trans-96.7138.2-175.535.3-32.9000113.1
215S41.2Very low44.5Very low113 Ų113148 Ų14879%0.7979%0.785SS**  trans-141.3107.8169.2-170.40000113.2
216R40.1Very low43.5Very low239 Ų239149.1 Ų149.190%0.90279%0.787SS**  trans42.2107.2146.8-62.1-172.3175.5-157.6-1.7121.1
217D36.5Very low43.3Very low146 Ų146146.8 Ų146.878%0.78178%0.784SS**  trans-43165.4137-110.9-50000114.1
218P47.5Very low43.3Very low118 Ų118142.3 Ų142.377%0.76677%0.772SS**  -157.5147.95841-18.3000122.6
219A36.5Very low43.3Very low81 Ų81139.4 Ų139.467%0.66977%0.766SS**  77169.4128.100000124.1
220L42.3Very low43.2Very low157 Ų157137.9 Ų137.982%0.82277%0.769SS**  trans86.5129.6172.1-56.6-175.9000116.9
221T42.9Very low43Very low114 Ų114137.7 Ų137.770%0.69977%0.772SS**  cis-164.8171.5-11.6-8.70000112
222V47.1Very low42.8Very low120 Ų120137.2 Ų137.273%0.72778%0.775SS**  trans70.3113.2156.7162.80000116.4
223D42.7Very low42.5Very low138 Ų138132.4 Ų132.474%0.73877%0.771SS**  82.7141.469.2-80.6-46.8000113.4
224L48.6Very low42.4Very low157 Ų157135.1 Ų135.182%0.82278%0.776SS**  cis-159.6157.73.1-179.963000111.4
225G43.3Very low42Very low59 Ų59135 Ų13561%0.60878%0.777SS**  trans102112.2166.500000114.9
226D41.8Very low41.7Very low159 Ų159134.6 Ų134.685%0.8577%0.774SS**  60.1121.863.7-66.2-41.6000113.8
227S48.6Very low42Very low109 Ų109129 Ų12976%0.76277%0.769SS**  cis-150.4-1685.955.10000109.3
228E47.6Very low41.9Very low130 Ų130128.4 Ų128.461%0.60777%0.77SS**  cis-154.2168.317.7174.255.8-39.400111.6
229K46.7Very low41.3Very low158 Ų158128.6 Ų128.669%0.68777%0.773SS**  trans-67.2144.4-174.5-44.4125-161.6140.10115.5
230V42.6Very low41.4Very low148 Ų148129.4 Ų129.490%0.89778%0.779SS**  -169.8151.5115.4145.90000109.5
231I39.6Very low41.1Very low163 Ų163130.3 Ų130.384%0.83678%0.779SS**  trans-116.1122.2-152.1-59.2161000113.7
232A39Very low40.6Very low99 Ų99130.5 Ų130.582%0.81878%0.775SS**  trans-162.6105.9152.900000111.2
233A37.4Very low40.1Very low95 Ų95130.8 Ų130.879%0.78578%0.78SS**  trans-78.6126.6-167.800000115
234K37.8Very low39.5Very low208 Ų208130.3 Ų130.390%0.90478%0.777SS**  trans-112.7118.8150.7-75.4178.9179.2173.30107.7
235C32.3Very low39Very low124 Ų124127.9 Ų127.984%0.83878%0.78SS**  trans-118.7102.2175.9-61.90000109.8
236S35Very low38.5Very low105 Ų105131 Ų13173%0.73479%0.787SS**PPolyproline II helixtrans-97.3133.8166.8-176.50000108.3V238S236-V238 PolarHBondContact O-N 3.5Å
237P46.3Very low38.1Very low122 Ų122129 Ų12979%0.79279%0.785SS**PPolyproline II helixtrans-68.4121.5174.627.9-32.3000110.4
238V33.8Very low37.5Very low132 Ų132128.2 Ų128.280%0.879%0.786SS**PPolyproline II helixtrans-49.8136.1176.8171.50000112.8S236S236-V238 PolarHBondContact O-N 3.5Å
239C36.3Very low36.8Very low123 Ų123132.2 Ų132.283%0.83180%0.797SS**PPolyproline II helixtrans-88.7127151.3-67.90000107.8
240A37.5Very low36.2Very low97 Ų97130.1 Ų130.180%0.80280%0.802SS**PPolyproline II helixtrans-75.3147.5178.100000111.7
241Q35.8Very low35.9Very low176 Ų176128.8 Ų128.882%0.82279%0.79SS**PPolyproline II helixtrans-94.4144.1175.6-76.2178.1-80.100110.7
242L33.3Very low35.7Very low119 Ų119128.4 Ų128.462%0.62379%0.785SS**  45.9155.8126.1-113.955.5000120.6D244L242-D244 VanDerWaalsContact CD2-CG 3.43Å; L242-D244 WeakPolarHBondContact CD2-OD1 3.46Å; L242-D244 WeakPolarHBondContact CD2-OD2 3.47Å
243P37.3Very low35.4Very low126 Ų126131 Ų13182%0.81878%0.78SS**  -126.5151.286.137.4-32000114.1
244D28.6Very low35.1Very low127 Ų127132.7 Ų132.768%0.67978%0.78SS**  trans-77.4154.4165.9-68.1-50.3000110.4L242L242-D244 VanDerWaalsContact CD2-CG 3.43Å; L242-D244 WeakPolarHBondContact CD2-OD1 3.46Å; L242-D244 WeakPolarHBondContact CD2-OD2 3.47Å
245A37.9Very low35Very low107 Ų107128 Ų12888%0.88477%0.773SS**  trans-129.3123.4160.100000108.5
246T33.9Very low35.1Very low123 Ų123125 Ų12576%0.75576%0.764SS**  trans-103.7152.8-168.7-49.80000111.2
247S32.7Very low35.1Very low117 Ų117127.6 Ų127.682%0.81877%0.769SS**  trans71.9161.5169.683.60000115.3
248A36.5Very low34.4Very low93 Ų93128 Ų12877%0.76977%0.77SS**  cis-140.31696.800000113.8
249Y33.7Very low34.6Very low215 Ų215127 Ų12784%0.84377%0.766SS**  trans-50.7132.1169.6-145.4-107.1000113.1
250S33.1Very low34.3Very low114 Ų114125.9 Ų125.980%0.79776%0.759SS**  trans-160.2131.9134.2-167.60000110
251D35.9Very low34.2Very low119 Ų119128.9 Ų128.964%0.63676%0.761SS**  trans-83.4174.1169.8-88.6-57.6000111.9
252Q36Very low34.2Very low156 Ų156124.7 Ų124.773%0.72976%0.757SS**  trans83.3121.8147.8-87.7-170.353.100122
253Q32Very low34.2Very low152 Ų152123.6 Ų123.671%0.7176%0.759SS**  trans76.4134.2138.2-67-159.566.200120.9
254V32.2Very low34.4Very low131 Ų131126.6 Ų126.679%0.79476%0.76SS**  trans67.2136.9140.5165.10000117.3
255S35.8Very low35.1Very low109 Ų109126.4 Ų126.476%0.76276%0.759SS**  cis-168154.6-17.5178.90000108.9
256G33.4Very low35.6Very low62 Ų62128.3 Ų128.364%0.63975%0.749SS**  trans86.3161.4157.800000118
257N35.1Very low36.5Very low159 Ų159126.4 Ų126.485%0.8574%0.739SS**  trans76.763.1157.1-50.4-13.6000118.1
258T31Very low37.8Very low131 Ų131122.7 Ų122.780%0.80472%0.715SS**  -34.7161.1119.917.90000113.3
259P39.5Very low39.6Very low110 Ų110122.9 Ų122.971%0.71471%0.707SS**  cis-129158.423.135.8-15.9000114.6
260S29.4Very low41.6Very low100 Ų100117.9 Ų117.970%0.69969%0.694SS**  8416667.9111.60000115.6
261L35.4Very low44Very low161 Ų161119.3 Ų119.384%0.84369%0.688SS**  trans67.8123.3-174.4-53171.9000114.7
262A34.8Very low46.3Very low87 Ų87117.5 Ų117.572%0.71968%0.681SS**  cis74.7116.415.900000116.9
263S35Very low48.6Very low97 Ų97112.4 Ų112.468%0.67867%0.666SS**  169.3161.3116.456.70000115.5
264F40.9Very low51.4Low189 Ų189110.2 Ų110.283%0.82966%0.657SS**  trans49.2114.8158.6-47.6-53.7000122.9
265D43Very low54.1Low123 Ų123106.5 Ų106.566%0.65864%0.64SS**  trans-14629.1149.6-153.49.1000113.3A268 T269D265-A268 WeakPolarHBondContact OD1-CB 3.4Å; D265-T269 PolarHBondContact O-OG1 3.44Å
266Q47.9Very low56.8Low146 Ų146106.1 Ų106.168%0.68263%0.628SS**Hα-helixtrans-68.3-38-178.8-147.1175.930.500114.9A268 T269 I270Q266-A268 VanDerWaalsContact C-N 3.34Å; Q266-A268 PolarHBondContact O-N 2.92Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 PolarHBondContact O-N 3.26Å; Q266-T269 VanDerWaalsContact O-N 3.17Å; Q266-I270 PolarHBondContact O-N 3.47Å
267P53.8Low59.7Low83 Ų83108.3 Ų108.354%0.53963%0.625SS.*Hα-helixtrans-68.5-31.4179.426.6-33.7000112.6T269 I270 Q271P267-T269 VanDerWaalsContact C-N 3.26Å; P267-T269 PolarHBondContact O-N 2.88Å; P267-I270 PolarHBondContact O-N 3.37Å; P267-Q271 WeakPolarHBondContact O-CG 3.32Å; P267-Q271 PolarHBondContact O-N 2.82Å
268A59Low62.5Low39 Ų39106.1 Ų106.132%0.32261%0.609SS.*Hα-helixtrans-62.4-35.8172.700000111.7D265 Q266 T272D265-A268 WeakPolarHBondContact OD1-CB 3.4Å; Q266-A268 VanDerWaalsContact C-N 3.34Å; Q266-A268 PolarHBondContact O-N 2.92Å; A268-T272 VanDerWaalsContact O-CB 3.22Å; A268-T272 WeakPolarHBondContact O-CB 3.45Å; A268-T272 PolarHBondContact O-N 2.96Å; A268-T272 PolarHBondContact O-OG1 2.89Å
269T74.3Confident65.4Low97 Ų97103.6 Ų103.660%0.59559%0.591SS**Hα-helixtrans-64.6-42174.2-57.50000111.5D265 Q266 P267 A273D265-T269 PolarHBondContact O-OG1 3.44Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 PolarHBondContact O-N 3.26Å; Q266-T269 VanDerWaalsContact O-N 3.17Å; P267-T269 VanDerWaalsContact C-N 3.26Å; P267-T269 PolarHBondContact O-N 2.88Å; T269-A273 WeakPolarHBondContact O-CB 3.43Å; T269-A273 PolarHBondContact O-N 3.25Å
270I75.7Confident68Low110 Ų110102.5 Ų102.556%0.56458%0.578SS**Hα-helixtrans-69.5-44.3177.6-62.4174.4000111.2Q266 P267 T272 A273 M274Q266-I270 PolarHBondContact O-N 3.47Å; P267-I270 PolarHBondContact O-N 3.37Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 2.9Å; I270-A273 PolarHBondContact O-N 3.49Å; I270-M274 WeakPolarHBondContact O-CG 3.03Å; I270-M274 PolarHBondContact O-N 2.79Å
271Q83.7Confident71.1Confident144 Ų144107.2 Ų107.267%0.67358%0.581SS**Hα-helixtrans-64.2-37.5175.8-70.6-168.416.700112P267 M274 A275P267-Q271 WeakPolarHBondContact O-CG 3.32Å; P267-Q271 PolarHBondContact O-N 2.82Å; Q271-M274 PolarHBondContact O-N 3.27Å; Q271-A275 WeakPolarHBondContact O-CB 3.39Å; Q271-A275 PolarHBondContact O-N 2.61Å
272T83.9Confident73.9Confident82 Ų82105.9 Ų105.950%0.50357%0.57SS.*Hα-helixtrans-64.2-42.5173.3-59.40000111.3A268 I270 A275 I276A268-T272 VanDerWaalsContact O-CB 3.22Å; A268-T272 WeakPolarHBondContact O-CB 3.45Å; A268-T272 PolarHBondContact O-N 2.96Å; A268-T272 PolarHBondContact O-OG1 2.89Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 2.9Å; T272-A275 PolarHBondContact O-N 2.84Å; T272-I276 HydrophobicContact CG2-CD1 3.92Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.33Å; T272-I276 PolarHBondContact O-N 3.35Å
273A84.7Confident76.8Confident48 Ų48107 Ų10740%0.39756%0.561SS.*Hα-helixtrans-63.3-41.5174.400000112.2T269 I270 I276 L277T269-A273 WeakPolarHBondContact O-CB 3.43Å; T269-A273 PolarHBondContact O-N 3.25Å; I270-A273 PolarHBondContact O-N 3.49Å; A273-I276 PolarHBondContact O-N 2.9Å; A273-L277 VanDerWaalsContact O-CG 3.32Å; A273-L277 WeakPolarHBondContact O-CG 3.41Å; A273-L277 PolarHBondContact O-N 3.1Å
274M91.2Very high79.4Confident106 Ų106107.1 Ų107.152%0.52255%0.553SS.*Hα-helixtrans-61.2-45173.5-74.1-79.7-80.400111.8I270 Q271 L277 Q278I270-M274 WeakPolarHBondContact O-CG 3.03Å; I270-M274 PolarHBondContact O-N 2.79Å; Q271-M274 PolarHBondContact O-N 3.27Å; M274-L277 PolarHBondContact O-N 2.86Å; M274-Q278 WeakPolarHBondContact O-CG 3.22Å; M274-Q278 PolarHBondContact O-N 2.84Å
275A89.1Confident81.9Confident53 Ų53102.8 Ų102.844%0.43854%0.535SS..Hα-helixtrans-62.9-42.617700000112Q271 T272 L277 Q278 D279Q271-A275 WeakPolarHBondContact O-CB 3.39Å; Q271-A275 PolarHBondContact O-N 2.61Å; T272-A275 PolarHBondContact O-N 2.84Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.92Å; A275-Q278 PolarHBondContact O-N 2.92Å; A275-D279 WeakPolarHBondContact O-CB 3.48Å; A275-D279 PolarHBondContact O-N 3.16Å
276I91.3Very high84Confident101 Ų10199.5 Ų99.552%0.51853%0.525SS..Hα-helixtrans-62.7-39174.8-69.5165.1000111.3T272 A273 L280T272-I276 HydrophobicContact CG2-CD1 3.92Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.33Å; T272-I276 PolarHBondContact O-N 3.35Å; A273-I276 PolarHBondContact O-N 2.9Å; I276-L280 VanDerWaalsContact O-CB 3.25Å; I276-L280 WeakPolarHBondContact O-CB 3.15Å; I276-L280 PolarHBondContact O-N 3.32Å
277L94.5Very high86Confident109 Ų10994.6 Ų94.657%0.57151%0.513SS*.Hα-helixtrans-70.3-31.7175.7-71.3170.8000112.8A273 M274 A275 R281A273-L277 VanDerWaalsContact O-CG 3.32Å; A273-L277 WeakPolarHBondContact O-CG 3.41Å; A273-L277 PolarHBondContact O-N 3.1Å; M274-L277 PolarHBondContact O-N 2.86Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.92Å; L277-R281 WeakPolarHBondContact O-CB 3.28Å; L277-R281 PolarHBondContact O-N 3.23Å; L277-R281 VanDerWaalsContact O-N 3.11Å
278Q94Very high87.6Confident112 Ų11295 Ų9552%0.52351%0.51SS..Hα-helixtrans-71.6-46.8173.3-73.2176.95.700111.9M274 A275 R281 Q282M274-Q278 WeakPolarHBondContact O-CG 3.22Å; M274-Q278 PolarHBondContact O-N 2.84Å; A275-Q278 PolarHBondContact O-N 2.92Å; Q278-R281 WeakPolarHBondContact O-CB 3.47Å; Q278-R281 PolarHBondContact O-N 2.91Å; Q278-Q282 WeakPolarHBondContact O-CG 3.46Å; Q278-Q282 PolarHBondContact O-N 3.31Å
279D93.1Very high88.9Confident78 Ų7898 Ų9842%0.41752%0.518SS..Hα-helixtrans-58.6-48.3173.6172.341000111.1A275 R281 Q282 Q283A275-D279 WeakPolarHBondContact O-CB 3.48Å; A275-D279 PolarHBondContact O-N 3.16Å; D279-R281 VanDerWaalsContact C-N 3.28Å; D279-R281 PolarHBondContact O-N 3.11Å; D279-Q282 CarbonylContact O-C 3.58Å; D279-Q282 WeakPolarHBondContact O-CA 3.5Å; D279-Q282 PolarHBondContact O-N 3.13Å; D279-Q283 WeakPolarHBondContact O-CG 3.35Å; D279-Q283 PolarHBondContact O-N 2.88Å; D279-Q283 PolarHBondContact OD1-NE2 3.29Å; D279-Q283 PolarHBondContact OD2-NE2 3.25Å
280L94.5Very high89.4Confident87 Ų8798.6 Ų98.646%0.45552%0.517SS..Hα-helixtrans-59.2-37.9175.7-177.660.8000112.4I276 I284I276-L280 VanDerWaalsContact O-CB 3.25Å; I276-L280 WeakPolarHBondContact O-CB 3.15Å; I276-L280 PolarHBondContact O-N 3.32Å; L280-I284 HydrophobicContact CD1-CD1 4.18Å; L280-I284 HydrophobicContact CD1-CG1 4.46Å; L280-I284 HydrophobicContact CG-CD1 4.08Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 WeakPolarHBondContact O-CD1 3.35Å; L280-I284 VanDerWaalsContact O-CG1 3.24Å; L280-I284 WeakPolarHBondContact O-CG1 3.45Å; L280-I284 PolarHBondContact O-N 2.89Å
281R94.6Very high89.5Confident200 Ų20096 Ų9676%0.75551%0.512SS*.Hα-helixtrans-62.9-45.4171.4-97-177.5157.7-161.7-4.3112.1L277 Q278 D279 I284 Q285L277-R281 WeakPolarHBondContact O-CB 3.28Å; L277-R281 PolarHBondContact O-N 3.23Å; L277-R281 VanDerWaalsContact O-N 3.11Å; Q278-R281 WeakPolarHBondContact O-CB 3.47Å; Q278-R281 PolarHBondContact O-N 2.91Å; D279-R281 VanDerWaalsContact C-N 3.28Å; D279-R281 PolarHBondContact O-N 3.11Å; R281-I284 PolarHBondContact O-N 2.69Å; R281-Q285 WeakPolarHBondContact O-CB 3.43Å; R281-Q285 PolarHBondContact O-N 3.45Å
282Q94.2Very high89.1Confident132 Ų13295.3 Ų95.362%0.61751%0.509SS*.Hα-helixtrans-64.3-41.3178.3-70.2176.322.200111.7Q278 D279 Q285 A286Q278-Q282 WeakPolarHBondContact O-CG 3.46Å; Q278-Q282 PolarHBondContact O-N 3.31Å; D279-Q282 CarbonylContact O-C 3.58Å; D279-Q282 WeakPolarHBondContact O-CA 3.5Å; D279-Q282 PolarHBondContact O-N 3.13Å; Q282-Q285 PolarHBondContact O-N 3.27Å; Q282-A286 VanDerWaalsContact O-CB 3.29Å; Q282-A286 WeakPolarHBondContact O-CB 3.46Å; Q282-A286 PolarHBondContact O-N 2.82Å
283Q94.1Very high88.3Confident112 Ų11294.8 Ų94.852%0.52351%0.512SS..Hα-helixtrans-64.9-40175.6-69.6179.927.700112.6D279 G287D279-Q283 WeakPolarHBondContact O-CG 3.35Å; D279-Q283 PolarHBondContact O-N 2.88Å; D279-Q283 PolarHBondContact OD1-NE2 3.29Å; D279-Q283 PolarHBondContact OD2-NE2 3.25Å; Q283-G287 PolarHBondContact O-N 2.84Å
284I90.7Very high87.1Confident99 Ų99102.7 Ų102.751%0.50853%0.532SS..Hα-helixtrans-65.3-44.4174-70.4166.2000110.4L280 R281 G287 L288L280-I284 HydrophobicContact CD1-CD1 4.18Å; L280-I284 HydrophobicContact CD1-CG1 4.46Å; L280-I284 HydrophobicContact CG-CD1 4.08Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 WeakPolarHBondContact O-CD1 3.35Å; L280-I284 VanDerWaalsContact O-CG1 3.24Å; L280-I284 WeakPolarHBondContact O-CG1 3.45Å; L280-I284 PolarHBondContact O-N 2.89Å; R281-I284 PolarHBondContact O-N 2.69Å; I284-G287 PolarHBondContact O-N 3.39Å; I284-L288 HydrophobicContact CG2-CD1 4.14Å; I284-L288 WeakPolarHBondContact O-CG 3.36Å; I284-L288 PolarHBondContact O-N 3.2Å
285Q92Very high85.6Confident97 Ų97107.1 Ų107.145%0.45355%0.548SS..Hα-helixtrans-63.2-49.5178.1-177.361.122.900111.7R281 Q282 G287 L288 E289R281-Q285 WeakPolarHBondContact O-CB 3.43Å; R281-Q285 PolarHBondContact O-N 3.45Å; Q282-Q285 PolarHBondContact O-N 3.27Å; Q285-G287 VanDerWaalsContact C-N 3.28Å; Q285-G287 PolarHBondContact O-N 3.23Å; Q285-L288 WeakPolarHBondContact O-CB 3.34Å; Q285-L288 PolarHBondContact O-N 3.06Å; Q285-L288 VanDerWaalsContact O-N 3.1Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.37Å; Q285-E289 PolarHBondContact NE2-OE1 3.14Å; Q285-E289 WeakPolarHBondContact O-CG 3.38Å; Q285-E289 PolarHBondContact O-N 3.01Å
286A87.2Confident83.8Confident55 Ų55107.7 Ų107.746%0.45556%0.559SS.*Hα-helixtrans-61.8-35.1175.600000112.2Q282 L290Q282-A286 VanDerWaalsContact O-CB 3.29Å; Q282-A286 WeakPolarHBondContact O-CB 3.46Å; Q282-A286 PolarHBondContact O-N 2.82Å; A286-L290 WeakPolarHBondContact O-CB 3.33Å; A286-L290 PolarHBondContact O-N 3.49Å
287G90.3Very high81.4Confident42 Ų42106.1 Ų106.143%0.43357%0.569SS.*Hα-helixtrans-65.2-39.5172.500000113.2Q283 I284 Q285 A291Q283-G287 PolarHBondContact O-N 2.84Å; I284-G287 PolarHBondContact O-N 3.39Å; Q285-G287 VanDerWaalsContact C-N 3.28Å; Q285-G287 PolarHBondContact O-N 3.23Å; G287-A291 WeakPolarHBondContact O-CB 3.48Å; G287-A291 PolarHBondContact O-N 2.79Å
288L87.8Confident79Confident91 Ų91109.7 Ų109.748%0.47658%0.582SS.*Hα-helixtrans-69.3-42.3174-72.4170.2000111.8I284 Q285 A291 Q292I284-L288 HydrophobicContact CG2-CD1 4.14Å; I284-L288 WeakPolarHBondContact O-CG 3.36Å; I284-L288 PolarHBondContact O-N 3.2Å; Q285-L288 WeakPolarHBondContact O-CB 3.34Å; Q285-L288 PolarHBondContact O-N 3.06Å; Q285-L288 VanDerWaalsContact O-N 3.1Å; L288-A291 PolarHBondContact O-N 2.88Å; L288-Q292 WeakPolarHBondContact O-CB 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.46Å; L288-Q292 PolarHBondContact O-N 3.39Å
289E86Confident76.3Confident103 Ų103113 Ų11348%0.48160%0.598SS.*Hα-helixtrans-64.8-42.3176.2-74.4172.7-164.100111.7Q285 A291 Q292 A293Q285-E289 WeakPolarHBondContact CG-OE1 3.37Å; Q285-E289 PolarHBondContact NE2-OE1 3.14Å; Q285-E289 WeakPolarHBondContact O-CG 3.38Å; Q285-E289 PolarHBondContact O-N 3.01Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.84Å; E289-Q292 PolarHBondContact O-N 2.88Å; E289-Q292 VanDerWaalsContact O-N 3.16Å; E289-A293 WeakPolarHBondContact O-CB 3.38Å; E289-A293 PolarHBondContact O-N 3.16Å
290L84.1Confident74Confident109 Ų109117.8 Ų117.857%0.57162%0.623SS**Hα-helixtrans-67.4-28.8175.5-166.1145.7000112.2A286 R294A286-L290 WeakPolarHBondContact O-CB 3.33Å; A286-L290 PolarHBondContact O-N 3.49Å; L290-R294 WeakPolarHBondContact O-CG 3.34Å; L290-R294 PolarHBondContact O-N 3.27Å
291A78Confident71.5Confident56 Ų56116.9 Ų116.946%0.46363%0.634SS.*Hα-helixtrans-74-35.9170.100000113.1G287 L288 E289G287-A291 WeakPolarHBondContact O-CB 3.48Å; G287-A291 PolarHBondContact O-N 2.79Å; L288-A291 PolarHBondContact O-N 2.88Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.84Å
292Q76.3Confident69Low130 Ų130114 Ų11461%0.60764%0.641SS**Hα-helixtrans-73.1-43.1176.2-74.5-179.558.600112.2L288 E289 R294 K295 G296L288-Q292 WeakPolarHBondContact O-CB 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.46Å; L288-Q292 PolarHBondContact O-N 3.39Å; E289-Q292 PolarHBondContact O-N 2.88Å; E289-Q292 VanDerWaalsContact O-N 3.16Å; Q292-R294 PolarHBondContact O-N 2.89Å; Q292-K295 CarbonylContact O-C 3.55Å; Q292-K295 WeakPolarHBondContact O-CA 3.34Å; Q292-K295 PolarHBondContact O-N 3.37Å; Q292-G296 PolarHBondContact O-N 3.47Å
293A67.7Low66.1Low70 Ų70112.7 Ų112.758%0.57965%0.647SS**Hα-helixtrans-56.8-38.4173.700000111.6E289 K295 G296 G297E289-A293 WeakPolarHBondContact O-CB 3.38Å; E289-A293 PolarHBondContact O-N 3.16Å; A293-K295 PolarHBondContact O-N 2.85Å; A293-G296 PolarHBondContact O-N 3.07Å; A293-G297 PolarHBondContact O-N 2.97Å; A293-G297 VanDerWaalsContact O-N 3.16Å
294R59.5Low63.9Low215 Ų215116 Ų11681%0.81166%0.659SS**Hα-helixtrans-71.9-3.1172.8-77.2-176.9167.9-162.8-3115.3L290 Q292L290-R294 WeakPolarHBondContact O-CG 3.34Å; L290-R294 PolarHBondContact O-N 3.27Å; Q292-R294 PolarHBondContact O-N 2.89Å
295K59.7Low61.5Low198 Ų198121.3 Ų121.386%0.86167%0.673SS**Hα-helixtrans-114.2-18.1173.7-93.8-167.5168.9-168.80114.7Q292 A293Q292-K295 CarbonylContact O-C 3.55Å; Q292-K295 WeakPolarHBondContact O-CA 3.34Å; Q292-K295 PolarHBondContact O-N 3.37Å; A293-K295 PolarHBondContact O-N 2.85Å
296G50Low58.9Low65 Ų65127.8 Ų127.867%0.6769%0.693SS**Hα-helixtrans-107.5-14179.500000115.8Q292 A293 Q298Q292-G296 PolarHBondContact O-N 3.47Å; A293-G296 PolarHBondContact O-N 3.07Å; G296-Q298 PolarHBondContact O-N 3.48Å
297G41.8Very low56.9Low69 Ų69130.5 Ų130.571%0.71170%0.7SS**  trans-74.377.7-173.800000115.2A293A293-G297 PolarHBondContact O-N 2.97Å; A293-G297 VanDerWaalsContact O-N 3.16Å
298Q44.4Very low54.7Low183 Ų183136.3 Ų136.386%0.85572%0.715SS**  trans-67.6156.1157.9-172.2169-2.700110.2G296 L300G296-Q298 PolarHBondContact O-N 3.48Å; Q298-L300 PolarHBondContact O-N 2.9Å
299E36.2Very low52.4Low182 Ų182137.3 Ų137.385%0.8572%0.721SS**SBendtrans-58.7127.9-178-57.4176.5119.500112.8
300L45.6Very low50.4Low179 Ų179137.7 Ų137.794%0.93773%0.73SS**  trans-178.5121.1146.6-99.9160.1000109.2Q298Q298-L300 PolarHBondContact O-N 2.9Å
301G40.7Very low48.6Very low67 Ų67137.4 Ų137.469%0.69174%0.743SS**PPolyproline II helixtrans-102.6159.7-171.900000115.2S303G301-S303 PolarHBondContact O-N 3.48Å
302P42.1Very low46.7Very low139 Ų139137.9 Ų137.990%0.90375%0.754SS**PPolyproline II helixtrans-79.5119.6176.8-8.826.5000112.4
303S34Very low44.7Very low106 Ų106143.2 Ų143.274%0.74177%0.769SS**PPolyproline II helixtrans-68.5147.7173.5173.40000113.1G301G301-S303 PolarHBondContact O-N 3.48Å
304K47.7Very low43Very low181 Ų181143.2 Ų143.279%0.78778%0.775SS**  trans-157.4107.2151-108.3147.7-170.9173.90114.3
305R41.1Very low41.8Very low211 Ų211137.4 Ų137.480%0.79677%0.767SS**  trans70.3116.8139.5-60.4172.2174.7179.8-4.2120.7
306R36.8Very low40.5Very low232 Ų232133.2 Ų133.288%0.87576%0.761SS**  trans61.4148.5131.1-67.2-175.5169-155.9-0.4118.1
307L45.3Very low39.6Very low113 Ų113140.7 Ų140.759%0.59277%0.769SS**  cis-156.9139.610.4-157.887000109
308Q44.7Very low39.1Very low163 Ų163144 Ų14476%0.76277%0.77SS**  trans49.4153.2153.7-68.9160.3-6.500119.7
309D38.7Very low38.9Very low112 Ų112140.2 Ų140.260%0.59976%0.762SS**  cis-144134.7-0.1-123.513.8000107.8
310V44.1Very low38.6Very low112 Ų112139.5 Ų139.568%0.67976%0.764SS**  65.2101.6103.4-179.80000116.6
311A45.4Very low38Very low102 Ų102134.4 Ų134.484%0.84375%0.748SS**  trans43.5157.6133.700000122.8
312G38.9Very low37.6Very low67 Ų67139.6 Ų139.669%0.69175%0.754SS**  cis139.1163-5.300000114.5
313R34.3Very low37.1Very low242 Ų242137.8 Ų137.891%0.91375%0.745SS**  trans74.1153.8176.7-63.3-174.9174.2-85.22.4118.4
314G33.2Very low37.2Very low69 Ų69137 Ų13771%0.71174%0.739SS**  trans129.174.9178.600000111.4
315C32.6Very low36.5Very low94 Ų94137.4 Ų137.464%0.63574%0.741SS**  cis61.6120.327.1-58.30000112
316C33.7Very low36.2Very low109 Ų109132.3 Ų132.374%0.73674%0.738SS**  cis-15517012-86.50000111.5
317R30.4Very low36.1Very low223 Ų223130.5 Ų130.584%0.84274%0.737SS**  trans68.1165.8147.2-87.8176.6-176.4-171.31.3117.2
318D31.8Very low35.7Very low137 Ų137128.6 Ų128.673%0.73373%0.732SS**  cis-124.8171.99.9-101.7-48.1000113.9
319P40.4Very low35.5Very low105 Ų105126.7 Ų126.768%0.68273%0.734SS**  trans-110.2174.5-165.542.3-37.7000116.3
320N29.8Very low35.2Very low166 Ų166132.2 Ų132.289%0.88875%0.747SS**  trans77.3174.5151.3-155.712.4000117.8
321A32.2Very low34.8Very low73 Ų73131.1 Ų131.160%0.60375%0.749SS**  trans88.3104.7172.800000118.9
322Q33.1Very low34.3Very low175 Ų175134.6 Ų134.682%0.81875%0.75SS**  trans65.197.9132-63.5174.1-15.800119.4
323S31Very low34.3Very low102 Ų102136.8 Ų136.871%0.71375%0.751SS**  97.7160.2103.989.90000112.4
324S36.1Very low34.2Very low90 Ų90131.4 Ų131.463%0.62974%0.736SS**  cis-141147.67.2-81.10000112.2
325F33.8Very low34.3Very low189 Ų189137.4 Ų137.483%0.82974%0.737SS**  20.1145.4123.1-48.1-64.1000119.1
326S34Very low34.3Very low104 Ų104140.2 Ų140.273%0.72774%0.739SS**  cis-166.9-169.9250.60000108.2
327K35.2Very low34.2Very low194 Ų194143 Ų14384%0.84374%0.74SS**  cis-164.1152.818.9-150.5168.8-179.3178.30110.7
328S36.9Very low34.2Very low72 Ų72137.3 Ų137.350%0.50374%0.735SS.*  trans-100.3171.616657.30000111.5W330S328-W330 PolarHBondContact OG-NE1 3.43Å
329P40.3Very low34.2Very low123 Ų123135.4 Ų135.480%0.79973%0.732SS**  -135.4154.595.219.32.2000113.2
330W31.7Very low34Very low228 Ų228137 Ų13786%0.86474%0.735SS**  cis88.399.937.1-69127000116S328S328-W330 PolarHBondContact OG-NE1 3.43Å
331A35.7Very low34Very low89 Ų89136 Ų13674%0.73672%0.724SS**  trans-165126.8139.600000106.2
332M35.2Very low34.3Very low175 Ų175143 Ų14386%0.86274%0.735SS**  56.5130.569.1-73.3-168.4172.400113.1
333T39.9Very low34.5Very low114 Ų114138.3 Ų138.370%0.69973%0.726SS**  cis-149.2171.619.2-220000112.9
334E31.2Very low34.5Very low129 Ų129145.4 Ų145.460%0.60374%0.737SS**  trans-10.5147.1151.8-68.1171.9-130.500117.9
335R34.4Very low34.3Very low194 Ų194145.7 Ų145.773%0.73274%0.739SS**  -167.6145.355.2-125.1133.2-148.1-160.514.5114.1
336K32.9Very low34.2Very low154 Ų154142 Ų14267%0.6773%0.732SS**  trans37.9127.3130.1-65.3-173.4-174.2-177.40121.8
337H32.9Very low34.2Very low167 Ų167145 Ų14577%0.77373%0.734SS**  trans56.7144.1131.4-49.6-42.5000119.8
338S29.1Very low34.1Very low103 Ų103142.7 Ų142.772%0.7274%0.737SS**  cis-163.3-171.51.2-1150000111.1
339S32.6Very low33.7Very low98 Ų98150.1 Ų150.169%0.68575%0.754SS**  trans-37.2156.2160.256.30000114.8
340L35.4Very low33.3Very low139 Ų139151.9 Ų151.973%0.72875%0.751SS**  -164.3173.281.5-159.556.1000114.8
341E31.6Very low33.6Very low143 Ų143144.9 Ų144.967%0.66874%0.735SS**  trans-42.6159.3177.8-50.3156.9100.700117.7
342R37.1Very low33.4Very low222 Ų222152.2 Ų152.284%0.83874%0.744SS**  156.6145.4111.1-171.5169-63.8164.55.2111.1
343A36.7Very low33.2Very low75 Ų75148.7 Ų148.762%0.6274%0.737SS**  cis174.9132.3-46.900000106.2
344R32.1Very low32.7Very low251 Ų251148.5 Ų148.595%0.94774%0.74SS**  trans62.5161.1173-50.9179.6-173.3-171.72.4114.1
345S31Very low33Very low97 Ų97147.8 Ų147.868%0.67875%0.749SS**  cis-151.3124.11.828.80000106.6
346V32.1Very low33.1Very low112 Ų112145 Ų14568%0.67975%0.754SS**  70.414380.1-1560000114.6
347H35.2Very low33.1Very low167 Ų167141.9 Ų141.977%0.77376%0.757SS**  trans69.5147.2-169.4-25.5-68.1000113.2
348T31.7Very low33.2Very low145 Ų145144.5 Ų144.589%0.8976%0.76SS**  cis-137.4-179.313.2-62.80000110.7
349W29.5Very low33.3Very low228 Ų228147.7 Ų147.786%0.86476%0.763SS**  trans-125.9137-155.6-159.56.3000113.6
350E32Very low33.3Very low159 Ų159148.7 Ų148.774%0.74377%0.771SS**  trans65.3172.8162.9-66.7-95.4140.200117.1
351P37.5Very low33.2Very low82 Ų82147.5 Ų147.553%0.53277%0.773SS.*  -138.4160.9-62.239.3-24.2000115.3
352W32.3Very low33.8Very low242 Ų242146.3 Ų146.392%0.91778%0.777SS**  trans165.3130.1132.4-86.13.1000116.1
353S29.7Very low33.6Very low102 Ų102144.8 Ų144.871%0.71378%0.78SS**  trans28121.1134-540000124.8
354S29.9Very low33.6Very low110 Ų110152 Ų15277%0.76979%0.791SS**  93.4159117.776.60000123.2
355S37.7Very low33.5Very low114 Ų114144 Ų14480%0.79778%0.778SS**  trans69.5152.1-174.382.40000114.4
356T37.3Very low33.8Very low134 Ų134151.2 Ų151.282%0.82279%0.791SS**  cis-140.71807.6430000109.1
357A32.6Very low33.7Very low89 Ų89149 Ų14974%0.73679%0.79SS**  cis-168.9-177.7-33.600000108
358R34.4Very low33.5Very low222 Ų222146 Ų14684%0.83879%0.794SS**  trans83.3125.9-169.9-65.5-175.9152.3171-6114.9
359E31Very low33.3Very low170 Ų170147.2 Ų147.279%0.79479%0.79SS**  cis76.4131.944.1-57165154.200111.8
360S33.4Very low33.5Very low120 Ų120140.1 Ų140.184%0.83979%0.788SS**  cis-133.916330.6-66.50000116.4
361C32Very low33.5Very low114 Ų114140.1 Ų140.177%0.7779%0.788SS**  trans-81.7-177165.9-125.90000110.2
362P44.6Very low33.2Very low118 Ų118143.5 Ų143.577%0.76680%0.801SS**  cis-140155.833.140.8-21.3000119
363Q33.1Very low33.1Very low189 Ų189142.5 Ų142.588%0.88380%0.797SS**  trans-74.9132.9156.7176.5177.3-56.400110.6
364R36.6Very low33.1Very low227 Ų227141.9 Ų141.986%0.85779%0.793SS**  trans-141.1145164.6-171169.1-71.9-129.31.5110.4
365A30.9Very low33.1Very low82 Ų82145.9 Ų145.968%0.67880%0.797SS**  trans-102.2-153.7-172.400000112.5
366W36Very low32.9Very low250 Ų250150.1 Ų150.195%0.94780%0.804SS**  trans76.7132.1-165.6-48.7102.6000113.6
367G30.5Very low32.7Very low64 Ų64154.9 Ų154.966%0.6681%0.807SS**  cis135.9130-9.600000112.5
368A31.5Very low33.1Very low104 Ų104155 Ų15586%0.8680%0.8SS**  trans61.8160.4-179.300000115.1
369Q27.9Very low33Very low171 Ų171152.8 Ų152.880%0.79980%0.8SS**  cis-161.5124-30.1169.5177.116.600107
370G33.1Very low33Very low80 Ų80149.5 Ų149.583%0.82580%0.795SS**  trans-156.4110178.100000110
371Q32Very low33.3Very low158 Ų158148.6 Ų148.674%0.73879%0.786SS**  trans-90.3158.5-168.9-70.7-175.5-19.600113.5R373Q371-R373 PolarHBondContact O-N 2.87Å
372D30Very low33.6Very low153 Ų153150.9 Ų150.982%0.81879%0.786SS**  trans-56.1126.2157.8-62.5-80000112.1
373R31.3Very low33Very low221 Ų221151.7 Ų151.783%0.83478%0.779SS**  trans-177.7112.3143.4-94.7145.8-166.8-1424.1106.7Q371Q371-R373 PolarHBondContact O-N 2.87Å
374S30Very low33.1Very low89 Ų89151.7 Ų151.762%0.62277%0.771SS**  cis69.5110.742.296.90000113.3
375F28.6Very low33.2Very low195 Ų195147.5 Ų147.586%0.85577%0.765SS**  trans54.7107.8167-47.8-75.7000119.5
376Q33.7Very low33.4Very low202 Ų202147 Ų14794%0.94477%0.768SS**  -137.5138.8113.8-78.6-152.8-14.600112.4
377R34.6Very low33.5Very low234 Ų234141.5 Ų141.588%0.88375%0.752SS**  trans-116.6137.4163.6157.8-165.6-71176.1-2.5102.7
378P39.3Very low33.7Very low92 Ų92147.4 Ų147.460%0.59776%0.76SS**  -138.3-162.666.340.2-19.6000112
379E32.3Very low34.3Very low176 Ų176147.9 Ų147.982%0.82276%0.757SS**  cis-148.6-176.911.1-153.7112.2-123.600112.2
380S31.8Very low34.8Very low101 Ų101148.2 Ų148.271%0.70676%0.759SS**  trans-101.1-178.9-175.370.40000110.3
381P40.3Very low34.9Very low100 Ų100154.7 Ų154.765%0.64976%0.759SS**  cis-155.9-178.730.846.9-25.2000121.1
382H37.4Very low35.4Very low163 Ų163151 Ų15176%0.75575%0.748SS**  trans72.1126.1145.8-81.2-61.3000123.8
383E33.1Very low35.5Very low135 Ų135154.8 Ų154.863%0.63175%0.751SS**  trans70.1145.9144.5-64.4-163.1113.800119
384R34Very low35.6Very low188 Ų188149.5 Ų149.571%0.70975%0.748SS**  cis-153.2165.56.6-127.1168.5-146.416619.5111.5
385L39.5Very low35.7Very low140 Ų140150 Ų15073%0.73376%0.757SS**  trans25.5114.4152.5-62.4158.6000118.1
386G35.1Very low36.2Very low72 Ų72149.3 Ų149.374%0.74276%0.762SS**  125.5173.37400000109.2
387H38.4Very low36.3Very low133 Ų133144.3 Ų144.362%0.61676%0.755SS**  cis-159.8142.74.6-98.9-82000109.9
388F34.7Very low36.4Very low189 Ų189136.8 Ų136.883%0.82975%0.75SS**  trans60.6156.5159.2-53.4-50.1000118.7
389S42.6Very low36.2Very low114 Ų114141.4 Ų141.480%0.79776%0.764SS**  cis-145154.9-8.735.10000113.3
390Q39.2Very low36.2Very low177 Ų177137.1 Ų137.183%0.82776%0.758SS**  trans-45.6140.9173.7-64.5-176.143.300115.3
391R35.8Very low36.3Very low217 Ų217138.4 Ų138.482%0.81977%0.766SS**  95-178.971.4-130.6-150.2173.3-152.4-0.7110.8
392P42.5Very low35.8Very low79 Ų79139 Ų13951%0.51377%0.773SS.*  -149.7-170.4-104.451-33.9000119.6
393W32.3Very low36.2Very low233 Ų233136.6 Ų136.688%0.88377%0.771SS**  trans67.7145144.3-79.1105.2000121.9
394S33Very low36.4Very low111 Ų111136.8 Ų136.878%0.77677%0.772SS**  trans86.6148.7150.9-63.90000119.9
395A31.6Very low36.6Very low99 Ų99137.8 Ų137.882%0.81878%0.776SS**  trans-110.9159-177.200000111.7
396L38.6Very low36.6Very low181 Ų181135.2 Ų135.295%0.94878%0.775SS**  trans-153.9169159.2-111.8167.4000109.5
397A35.7Very low36.7Very low97 Ų97143.9 Ų143.980%0.80279%0.785SS**  trans-110.8165.7-169.700000113.6
398G37.2Very low36.7Very low75 Ų75141.1 Ų141.177%0.77379%0.793SS**  trans89163.8178.600000114
399Q34.4Very low37Very low190 Ų190136.4 Ų136.489%0.88879%0.789SS**  cis-172150.9-20.7-176.9171.722.800106.9
400A33Very low36.6Very low86 Ų86139.3 Ų139.371%0.71179%0.79SS**  trans68.1132.8164.600000121
401C34.6Very low36.6Very low127 Ų127140.5 Ų140.586%0.85879%0.787SS**  trans55.2122136.3-600000123.2
402S28.5Very low36.7Very low114 Ų114137.2 Ų137.280%0.79778%0.781SS**  trans-68.6170.2152-39.90000111.9
403P46.3Very low36.3Very low111 Ų111135.8 Ų135.872%0.72178%0.781SS**  -154.3-171.996.440.4-21.8000115.9
404Q36.7Very low36.8Very low139 Ų139130.5 Ų130.565%0.6578%0.776SS**  trans61.8109.9154.8-109.860.1-62.100118.1
405R39.9Very low37.2Very low209 Ų209130.3 Ų130.379%0.78978%0.775SS**  cis89.3112.947-178.1-150.1-51.2-135.32.4114
406A37.9Very low37.4Very low87 Ų87130.7 Ų130.772%0.71977%0.772SS**  trans-159.7131.8153.900000113.7
407W38.8Very low37.4Very low253 Ų253131.5 Ų131.596%0.95877%0.77SS**  trans4.9146.6150.3-48.779.2000120.4
408G38.3Very low37.4Very low76 Ų76136.8 Ų136.878%0.78477%0.77SS**  cis179.2-175.52.100000109
409A39.3Very low37.8Very low90 Ų90138.9 Ų138.974%0.74477%0.77SS**  cis-164.4168.3-4.600000110.1
410Q36.1Very low37.9Very low174 Ų174133 Ų13381%0.81376%0.76SS**  trans64.6135.6151.4-167.2164.6-13.400117.9
411R37.5Very low38.1Very low203 Ų203134.4 Ų134.477%0.76677%0.765SS**  cis-163.8166.2-7.5-119.4179.1-152.9-120.111.8105.1
412Q38.3Very low38.8Very low148 Ų148134 Ų13469%0.69276%0.76SS**  cis-160.9-172.9-5.2-153.5-178.3-88.700108.3
413G35.6Very low39.7Very low49 Ų49133.5 Ų133.551%0.50575%0.754SS.*  trans-136.7-146.2157.600000109.8
414P42.6Very low39.3Very low122 Ų122134.9 Ų134.979%0.79275%0.751SS**  cis-141.3-147.7-7.643.2-23.1000112.7
415S40Very low39.6Very low106 Ų106135.4 Ų135.474%0.74175%0.751SS**  trans83148.4161.582.70000118.3
416S36.6Very low39.5Very low108 Ų108136.9 Ų136.976%0.75576%0.757SS**  cis-167.8171.1-18.5-101.80000112.8
417Q38.9Very low39.1Very low197 Ų197137.8 Ų137.892%0.92176%0.758SS**  trans89.4164.6161-49.2-154.1-8.500120.3
418R35.3Very low39.2Very low209 Ų209130.9 Ų130.979%0.78975%0.746SS**  trans-149.8-162.8-158.2-137.7-169.9176.7-165.95.8105.9
419P45Very low39Very low119 Ų119136.3 Ų136.377%0.77375%0.748SS**  cis-124.3-173-35.336.8-19.3000112.7
420G37.8Very low39.2Very low67 Ų67137.1 Ų137.169%0.69175%0.746SS**  trans176.2135164.500000112.6
421S35.4Very low39.4Very low115 Ų115138.2 Ų138.280%0.80475%0.751SS**  trans-154.5-157.5-174.8-640000111.7
422P51.3Low39.1Very low117 Ų117136.9 Ų136.976%0.7675%0.754SS**  -114.4-137.7-98.840.2-21.4000109.9
423P46.5Very low39.3Very low104 Ų104133.8 Ų133.868%0.67575%0.746SS**  cis-135.8-165.5-2134.2-11.4000115.1
424E38Very low39.2Very low140 Ų140142.7 Ų142.765%0.65477%0.765SS**  trans108.1139.3130.7-101.5-165.2142.700124.5
425K42Very low38.9Very low151 Ų151141.6 Ų141.666%0.65776%0.76SS**  trans84.2121.7144.1-80.3160.7176.6141.20123
426R38.8Very low38.6Very low239 Ų239141 Ų14190%0.90276%0.761SS**  trans92.3111.3146.2-67.9173.1178.5177.4-1.1121.1
427S29.3Very low38.6Very low106 Ų106142.4 Ų142.474%0.74177%0.765SS**  trans-92.4-176.7151.4-140.90000108.3
428P41.1Very low38.4Very low109 Ų109136.9 Ų136.971%0.70875%0.753SS**  cis-141.2-169.18.742.7-21.3000117.3
429F32.6Very low38.5Very low189 Ų189133.6 Ų133.683%0.82976%0.757SS**  trans-29.5176.7150.9-67.3-84.9000118.5
430P44.2Very low37.9Very low107 Ų107136.2 Ų136.270%0.69576%0.759SS**  cis-132.1-178.7-17.230.7-11.1000114
431Q39.7Very low37.9Very low197 Ų197137.8 Ų137.892%0.92176%0.757SS**  -166.5170.4129.1-107.3166.423.400114
432Q32.6Very low37.9Very low176 Ų176138 Ų13882%0.82276%0.757SS**  trans-149.4-178.5-165.7-132.2-150.6-14.500107
433P42.3Very low37.4Very low82 Ų82138.1 Ų138.153%0.53276%0.757SS.*  cis-125.2-141.6-41.722.53.3000110.1
434W33.5Very low37Very low237 Ų237143.2 Ų143.290%0.89876%0.763SS**  trans82.3145.4164.9-61.719.5000115.3
435S35.5Very low36.7Very low98 Ų98145.2 Ų145.269%0.68576%0.764SS**  cis-161.7163.2-6.4-114.40000112.5
436A33.9Very low36.2Very low94 Ų94141.6 Ų141.678%0.77776%0.763SS**  trans65.5158.8156.200000117.8
437V37.1Very low35.9Very low138 Ų138140.6 Ų140.684%0.83676%0.759SS**  cis-152.1177.8-15.7116.40000109.7
438A34.9Very low36.1Very low81 Ų81141.6 Ų141.667%0.66976%0.761SS**  trans-34.9155.1173.700000116.5
439T36.2Very low35.9Very low140 Ų140140.1 Ų140.186%0.85976%0.758SS**  -160.4173.161-54.60000113.6
440Q33.3Very low36.1Very low174 Ų174136.2 Ų136.281%0.81375%0.753SS**  trans-100.2-155.1-167.3-151.1-151.327.100113.1
441P37.4Very low35.8Very low100 Ų100139.2 Ų139.265%0.64976%0.758SS**  -101.5-171.5-106.839.8-26.5000117.7
442C36.2Very low35.5Very low119 Ų119134.4 Ų134.480%0.80474%0.742SS**  trans-53.5163.2176.8-35.80000116.2
443P40.2Very low35.8Very low119 Ų119136 Ų13677%0.77374%0.74SS**  -151.8132.8105.236.4-18.5000118.9
444R37.4Very low35.5Very low211 Ų211140.3 Ų140.380%0.79675%0.754SS**  21.7124.3117.4-172.4-157.6-172.2-177.85.2119.8
445R31.8Very low35.5Very low182 Ų182136 Ų13669%0.68775%0.748SS**  146.2127.1119.8-179.6174.9-82.4-88.212.8118
446A32Very low35.8Very low76 Ų76137 Ų13763%0.62875%0.752SS**  trans64.1170151.500000118.1
447W32.4Very low36Very low217 Ų217135.3 Ų135.382%0.82274%0.744SS**  cis-148.7152.922.7-73.175.5000114.9
448T33.9Very low36.1Very low127 Ų127134.7 Ų134.778%0.77974%0.743SS**  trans42.4164.8142.860.50000122
449A36.9Very low36.2Very low78 Ų78142.5 Ų142.565%0.64576%0.755SS**  cis-152.9179.611.300000112.5
450C36.4Very low36.3Very low107 Ų107144 Ų14472%0.72376%0.757SS**  trans66.1143159.4-58.80000119
451E38.2Very low36.6Very low171 Ų171147.2 Ų147.280%0.79976%0.762SS**  cis-158.6-175.9-23.5-138.2146.4-102.900111.7
452T32.9Very low36.5Very low95 Ų95150.2 Ų150.258%0.58377%0.772SS**  trans-64.2164-173.140.50000115.1
453W38.5Very low36.7Very low209 Ų209150.3 Ų150.379%0.79277%0.771SS**  cis-156.3152.645.8-70.585.8000116.8
454E37.2Very low36.7Very low174 Ų174152.6 Ų152.681%0.81378%0.776SS**  trans65.4143.8145.4-76.4168.9179.500125.1
455D34.1Very low36.7Very low146 Ų146151.2 Ų151.278%0.78178%0.779SS**  trans-105.2-176.4-178.6-151.533.4000107.2
456P41.3Very low37Very low119 Ų119154 Ų15477%0.77379%0.789SS**  cis-144.8153.91741.3-19.5000120.6
457G37Very low37.5Very low58 Ų58155.7 Ų155.760%0.59879%0.794SS**  trans120.2153.4134.900000117.9
458P40.1Very low37.8Very low126 Ų126151.2 Ų151.282%0.81880%0.796SS**  trans-132.8144.4-135.936.7-19.5000116.3
459R37.1Very low38.4Very low245 Ų245151 Ų15193%0.92580%0.796SS**  trans-145.5135.1155.9-68.6-167.2-173.6-103-1.4112.4
460L38.3Very low38.5Very low172 Ų172153.4 Ų153.490%0.90181%0.806SS**  trans-71.7136.1167.1-67.282.6000110.4
461R39.6Very low38.7Very low240 Ų240152.9 Ų152.991%0.90681%0.809SS**  trans-143146154.3-80.3-164.1169.3-175.2-2.4110.8
462N35.2Very low38.9Very low163 Ų163153 Ų15387%0.87281%0.809SS**  trans-75.7140.8175.9-62.6-36.5000110.8
463P39.7Very low39.2Very low121 Ų121159.6 Ų159.679%0.78682%0.824SS**  trans-85.8126.2163.733.4-30.2000110.7
464L40.2Very low39.3Very low167 Ų167155 Ų15587%0.87482%0.821SS**  16188.599.9-171.956.1000109.8
465E37.6Very low39.3Very low183 Ų183159.1 Ų159.186%0.85583%0.829SS**  trans-69.5149.7169.8-174.8167.8-14700110.5
466R39.2Very low39.3Very low240 Ų240157.3 Ų157.391%0.90683%0.828SS**  trans-125.7113.9175.8-155.7-179-153.8-175.17.4109.5
467P42Very low39Very low112 Ų112156.8 Ų156.873%0.72783%0.827SS**  trans-83.1162.7-168.432.8-36.8000113.5
468S38.8Very low39Very low122 Ų122160 Ų16085%0.85384%0.84SS**  trans-151.5151.9161.3-74.80000110
469P46.5Very low39Very low122 Ų122157.2 Ų157.279%0.79283%0.834SS**  trans-100.7167.7-147.837.9-37000116.2
470P38.6Very low39.1Very low130 Ų130152.1 Ų152.184%0.84483%0.83SS**  trans-101.3144.1-172.937.6-33.9000115.8
471A41.6Very low39.1Very low96 Ų96151.2 Ų151.279%0.79382%0.821SS**  trans-169.8158.6160.400000110
472Q41.4Very low39Very low172 Ų172149.8 Ų149.880%0.80482%0.816SS**  cis-161125.7-34.3-96.5-145.63700107.5
473R39.9Very low39.2Very low235 Ų235146.6 Ų146.689%0.88781%0.812SS**  trans39.9150162.2-62.6-171.9-171.6-102.73.1122.7
474P40.8Very low39Very low112 Ų112144.1 Ų144.173%0.72781%0.809SS**  trans-101.8173.3172.541.1-35.7000113.6
475W36.2Very low39.4Very low261 Ų261141.8 Ų141.899%0.98980%0.804SS**  trans-160.9166.4146.5-95.4-6.6000113.8
476S34.5Very low39.6Very low108 Ų108141.1 Ų141.176%0.75580%0.801SS**  trans-86.2170.5-161.3-41.50000116.3
477S34.6Very low39.7Very low108 Ų108133.6 Ų133.676%0.75580%0.797SS**  165134.9111.7-72.70000118.6
478S36.8Very low39.8Very low125 Ų125137.7 Ų137.787%0.87480%0.804SS**  trans75.3156.3139.476.50000124.2
479G40Very low40Very low67 Ų67135.3 Ų135.369%0.69180%0.799SS**  trans9294168.400000116.1
480V40.7Very low39.7Very low139 Ų139141.1 Ų141.184%0.84281%0.805SS**  cis85135.636.5-171.90000114.3
481Q38.1Very low39.8Very low153 Ų153138 Ų13872%0.71580%0.796SS**  trans88.6142.4-180-56.6-15764.300116.6
482R36.5Very low39.9Very low209 Ų209141.4 Ų141.479%0.78980%0.8SS**  cis-165.2141.1-10.5164.4-170.1-63.8-139.25.2111.5
483A40.4Very low39.7Very low96 Ų96137 Ų13779%0.79380%0.801SS**  trans62.9147.8158.400000123
484G35.9Very low39.5Very low70 Ų70131.7 Ų131.772%0.72280%0.799SS**  trans-116.1-132.6153.800000108.5
485P47.2Very low39.8Very low117 Ų117131.9 Ų131.976%0.7680%0.801SS**  cis-141.2-167.3-1637.8-16.4000114.1
486Q41.2Very low39.9Very low170 Ų170126.1 Ų126.179%0.79479%0.794SS**  trans76.6141.9161.1-64.6-163.86400121.6
487G42.4Very low40.1Very low81 Ų81126 Ų12684%0.83579%0.793SS**  trans-179.6105.9166.500000109.6
488K43Very low40.1Very low198 Ų198125.4 Ų125.486%0.86180%0.795SS**  trans-108.9140.8-171.7-80.3179.1177170.30113
489G44Very low40.1Very low73 Ų73123.8 Ų123.875%0.75379%0.789SS**  trans164.499.7165.400000108.7
490R39.2Very low40Very low243 Ų243128.7 Ų128.792%0.91779%0.791SS**  73.6111.851.8-163.7-162.5-76.2-89.511.6112.3
491G41.8Very low40.3Very low65 Ų65130.2 Ų130.267%0.6779%0.789SS**  trans143.671.3-176.700000109.4
492I42.9Very low40.4Very low168 Ų168127.4 Ų127.486%0.86279%0.792SS**  63.3111.385-56.4169.8000111.4
493G38.1Very low40.4Very low80 Ų80125.2 Ų125.283%0.82580%0.795SS**  trans154.983175.200000113.7
494S36.1Very low40.9Very low123 Ų123126.5 Ų126.586%0.8680%0.795SS**  trans-96.9164.6168.1-117.40000110.6
495P45.2Very low41Very low116 Ų116133.6 Ų133.675%0.75380%0.8SS**  trans-87.9158.7-156.435-38000114.9
496V38.4Very low41Very low139 Ų139134.3 Ų134.384%0.84281%0.805SS**  trans-175.4167146.5131.60000111.4
497S40.4Very low40.7Very low105 Ų105132.3 Ų132.373%0.73480%0.804SS**  trans72.287.8165.1-72.70000120.5
498A33.4Very low40.7Very low97 Ų97132.2 Ų132.280%0.80280%0.803SS**  10.9146.1118.800000121.9
499A36.1Very low40.2Very low91 Ų91127.2 Ų127.275%0.75279%0.794SS**  trans102.3142.8140.700000120.5
500K39.4Very low39.8Very low170 Ų170133.2 Ų133.274%0.73980%0.799SS**  trans84.4115.4147.1-83.1178.8175.4-1770121.8
501H46.7Very low40.2Very low171 Ų171126.8 Ų126.879%0.79279%0.789SS**  trans70.8150.4153.9-45.3-54.7000116.8
502A39.1Very low40Very low94 Ų94132.5 Ų132.578%0.77780%0.798SS**  cis-139.8164.70.800000112.5
503L37.7Very low39.7Very low162 Ų162131.9 Ų131.985%0.84880%0.797SS**  trans-73.6161163.6-78.6156.1000110.5
504P51.6Low40.2Very low124 Ų124133.8 Ų133.881%0.80580%0.795SS**  -132.3150.5112.136.3-29.1000114.4
505R36.6Very low40.6Very low218 Ų218136.3 Ų136.382%0.82380%0.798SS**  trans-97.3122.2176.5-179.5-162.2-130.6164.91.6108.6T507R505-T507 PolarHBondContact O-N 3.18Å
506P47.8Very low40.4Very low132 Ų132134 Ų13486%0.85779%0.794SS**  trans-80.4105.7178.430.5-32.3000111.1
507T35.6Very low40.7Very low128 Ų128136.7 Ų136.779%0.78580%0.795SS**  trans-124.4116.5163.8-57.40000107.9R505R505-T507 PolarHBondContact O-N 3.18Å
508G41.9Very low40.9Very low79 Ų79139.8 Ų139.881%0.81480%0.798SS**  trans178.899.3-178.600000110.9
509S33Very low41.6Very low94 Ų94144 Ų14466%0.65780%0.798SS**  trans-92.6177.5170.2540000111
510F35.5Very low41.8Very low198 Ų198146.7 Ų146.787%0.86880%0.8SS**  trans86.8149.6177.6-56.4-72.3000116.4
511P46.1Very low42Very low109 Ų109144.9 Ų144.971%0.70880%0.803SS**  trans-137.4-156.3-144.137.4-14000114.4
512Q39Very low41.9Very low184 Ų184144.7 Ų144.786%0.8681%0.807SS**  trans97152.3166.6-54.4-173.4-9.400117.3
513N35.8Very low42.2Very low155 Ų155151.1 Ų151.183%0.82981%0.811SS**  trans-94.7167.3-169.6-52.6-70000111.8
514P48.9Very low42.6Very low120 Ų120148.8 Ų148.878%0.77981%0.806SS**  -137.3133.998.329.8-13.2000113
515L44.2Very low42Very low177 Ų177148.3 Ų148.393%0.92780%0.804SS**  72.2119.687.6-173.272000114.8
516G41.4Very low42.9Very low66 Ų66143.3 Ų143.368%0.6880%0.8SS**  trans159.586.7162.600000120.2
517K45.1Very low42.7Very low196 Ų196148.2 Ų148.285%0.85280%0.801SS**  trans60.295143.7-51.4-161.5178.5-166.70121.5
518E44.4Very low43.3Very low171 Ų171147.7 Ų147.780%0.79980%0.803SS**  39.1110.5105.4-170-162.1150.400119.7
519K47.2Very low43.6Very low185 Ų185155.2 Ų155.280%0.80481%0.807SS**  -163.9160.3113.9-124.2175.6-177.5174.70113.3
520D40.1Very low44.2Very low148 Ų148153.7 Ų153.779%0.79181%0.806SS**  trans-66.8134.1-170.5-61.8-83.1000115.5
521T45.6Very low44.8Very low132 Ų132152.7 Ų152.781%0.8181%0.809SS**  trans-158.8100.2147.2-6.90000112.1R523T521-R523 PolarHBondContact O-N 3.15Å
522L44Very low45.2Very low166 Ų166156 Ų15687%0.86982%0.819SS**  trans24.476.7153.2-58.5176.7000117.2P524L522-P524 WeakPolarHBondContact O-CD 3.41Å
523R44.2Very low46.2Very low229 Ų229149.9 Ų149.986%0.86481%0.806SS**PPolyproline II helixtrans-64.9117.6177.7-169.5-177.3-170.2-157.35.2111.8T521T521-R523 PolarHBondContact O-N 3.15Å
524P47.8Very low47.5Very low113 Ų113147.9 Ų147.973%0.73480%0.802SS**PPolyproline II helixtrans-70.7139.2178.7-1933.6000112.3L522 P526L522-P524 WeakPolarHBondContact O-CD 3.41Å; P524-P526 WeakPolarHBondContact O-CD 3.31Å
525C37.9Very low48Very low115 Ų115147.9 Ų147.978%0.77781%0.805SS**PPolyproline II helixtrans-64.4124.7-179.7-54.70000111.8R527C525-R527 PolarHBondContact O-N 3.36Å
526P56.1Low49.2Very low113 Ų113147.1 Ų147.173%0.73480%0.796SS**  trans-71.792.3172.929.7-33.5000109.8P524 S528P524-P526 WeakPolarHBondContact O-CD 3.31Å; P526-S528 VanDerWaalsContact C-N 3.34Å; P526-S528 PolarHBondContact O-N 3.04Å
527R42.3Very low51.3Low234 Ų234147 Ų14788%0.88379%0.785SS**  trans-63.694.1168.1-82.7-179.1167.4166-3.8109.2C525 R529C525-R527 PolarHBondContact O-N 3.36Å; R527-R529 PolarHBondContact O-N 2.96Å
528S50Low53.3Low117 Ų117141.8 Ų141.882%0.81877%0.773SS**  trans-64.379.6164.555.90000109.3P526 G530P526-S528 VanDerWaalsContact C-N 3.34Å; P526-S528 PolarHBondContact O-N 3.04Å; S528-G530 PolarHBondContact O-N 3.46Å
529R47.8Very low55.7Low237 Ų237139.6 Ų139.689%0.89476%0.763SS**  trans-58.8109.4179.1-177.1-177.9-67.5-161.91.2107.7R527 L531R527-R529 PolarHBondContact O-N 2.96Å; R529-L531 PolarHBondContact O-N 3.49Å
530G45.3Very low57.7Low62 Ų62132.8 Ų132.864%0.63974%0.738SS**  trans-51.1138.1-170.400000112.6S528 L532S528-G530 PolarHBondContact O-N 3.46Å; G530-L532 PolarHBondContact O-N 3.24Å
531L48Very low60.3Low177 Ų177130.6 Ų130.693%0.92773%0.726SS**  trans-52.9123.4177.8-69.3168.5000109.5R529 G533R529-L531 PolarHBondContact O-N 3.49Å; L531-G533 PolarHBondContact O-N 2.85Å
532L55.2Low62.6Low178 Ų178132.2 Ų132.293%0.93272%0.717SS**  trans-60.1111.9174.3-77.8153.4000108.1G530G530-L532 PolarHBondContact O-N 3.24Å
533G59.9Low65.1Low57 Ų57128.5 Ų128.559%0.58870%0.695SS**  trans-57.9156.3176.100000111.3L531 S535L531-G533 PolarHBondContact O-N 2.85Å; G533-S535 PolarHBondContact O-N 2.91Å
534P62.7Low67.5Low113 Ų113122.7 Ų122.773%0.73468%0.677SS**  trans-49.8117.7-173.4-28.435.2000111.8H536P534-H536 PolarHBondContact O-N 2.73Å
535S59.4Low69.9Low120 Ų120122.3 Ų122.384%0.83967%0.666SS**  trans-66.494-176.353.90000109.8G533 S537G533-S535 PolarHBondContact O-N 2.91Å; S535-S537 PolarHBondContact O-N 3.33Å
536H69.2Low72.7Confident161 Ų161122.9 Ų122.975%0.74565%0.652SS**  trans-53.4114.4-175.8-61.5-59.9000110.7P534P534-H536 PolarHBondContact O-N 2.73Å
537S84.2Confident74.6Confident64 Ų64123.2 Ų123.245%0.44864%0.644SS.*  trans-60.2147.517372.10000109.5S535 E539 S540 L541S535-S537 PolarHBondContact O-N 3.33Å; S537-E539 PolarHBondContact O-N 3.37Å; S537-S540 PolarHBondContact N-OG 3.02Å; S537-S540 VanDerWaalsContact N-OG 3.09Å; S537-S540 PolarHBondContact O-N 3.45Å; S537-S540 PolarHBondContact O-OG 3.46Å; S537-S540 WeakPolarHBondContact OG-CB 3.22Å; S537-S540 PolarHBondContact OG-N 2.8Å; S537-S540 PolarHBondContact OG-OG 2.9Å; S537-L541 PolarHBondContact O-N 2.8Å; S537-L541 VanDerWaalsContact O-N 3.14Å
538S89.1Confident77.3Confident86 Ų86117.1 Ų117.160%0.60162%0.624SS**Hα-helixtrans-60.5-14.2176.854.90000113.5R542S538-R542 VanDerWaalsContact O-CD 3.3Å; S538-R542 WeakPolarHBondContact O-CD 3.34Å; S538-R542 VanDerWaalsContact O-CG 3.23Å; S538-R542 WeakPolarHBondContact O-CG 3.49Å; S538-R542 PolarHBondContact O-NE 3.16Å; S538-R542 VanDerWaalsContact O-NE 3.09Å
539E92.9Very high79.6Confident125 Ų125113.1 Ų113.158%0.58460%0.598SS**Hα-helixtrans-81.3-50.8170.1-177.6150.7-126.900111.8S537 L541 R542 E543S537-E539 PolarHBondContact O-N 3.37Å; E539-L541 PolarHBondContact O-N 3.17Å; E539-L541 VanDerWaalsContact O-N 3.16Å; E539-R542 CarbonylContact O-C 3.56Å; E539-R542 WeakPolarHBondContact O-CA 3.38Å; E539-R542 WeakPolarHBondContact O-CB 3.41Å; E539-R542 PolarHBondContact O-N 3.4Å; E539-E543 WeakPolarHBondContact O-CG 3.2Å; E539-E543 PolarHBondContact O-N 3.26Å
540S90.7Very high81.9Confident42 Ų42107 Ų10729%0.29458%0.579SS.*Hα-helixtrans-55.8-35.1177.169.60000112.9S537 E543 F544S537-S540 PolarHBondContact N-OG 3.02Å; S537-S540 VanDerWaalsContact N-OG 3.09Å; S537-S540 PolarHBondContact O-N 3.45Å; S537-S540 PolarHBondContact O-OG 3.46Å; S537-S540 WeakPolarHBondContact OG-CB 3.22Å; S537-S540 PolarHBondContact OG-N 2.8Å; S537-S540 PolarHBondContact OG-OG 2.9Å; S540-E543 PolarHBondContact O-N 3.5Å; S540-F544 WeakPolarHBondContact O-CB 3.44Å; S540-F544 PolarHBondContact O-N 2.98Å
541L93.7Very high84.4Confident102 Ų102106.6 Ų106.653%0.53457%0.571SS.*Hα-helixtrans-67.5-39.8173.1-179.459.8000112.5S537 E539 E543 M545S537-L541 PolarHBondContact O-N 2.8Å; S537-L541 VanDerWaalsContact O-N 3.14Å; E539-L541 PolarHBondContact O-N 3.17Å; E539-L541 VanDerWaalsContact O-N 3.16Å; L541-E543 VanDerWaalsContact C-N 3.32Å; L541-M545 WeakPolarHBondContact O-CB 3.41Å; L541-M545 VanDerWaalsContact O-CG 3.25Å; L541-M545 WeakPolarHBondContact O-CG 3.33Å; L541-M545 PolarHBondContact O-N 3.27Å
542R95.2Very high86.8Confident165 Ų165104.8 Ų104.862%0.62355%0.551SS**Hα-helixtrans-65.1-38.9173.9-68.4168.2-157-1236.8110.3S538 E539 M545 R546S538-R542 VanDerWaalsContact O-CD 3.3Å; S538-R542 WeakPolarHBondContact O-CD 3.34Å; S538-R542 VanDerWaalsContact O-CG 3.23Å; S538-R542 WeakPolarHBondContact O-CG 3.49Å; S538-R542 PolarHBondContact O-NE 3.16Å; S538-R542 VanDerWaalsContact O-NE 3.09Å; E539-R542 CarbonylContact O-C 3.56Å; E539-R542 WeakPolarHBondContact O-CA 3.38Å; E539-R542 WeakPolarHBondContact O-CB 3.41Å; E539-R542 PolarHBondContact O-N 3.4Å; R542-M545 PolarHBondContact O-N 3.38Å; R542-R546 WeakPolarHBondContact O-CG 3.46Å; R542-R546 PolarHBondContact O-N 2.91Å
543E95Very high88.8Confident88 Ų88105.1 Ų105.141%0.41154%0.54SS..Hα-helixtrans-65.2-48.7176-66.1-153.1134.100113.2E539 S540 L541 M545 R546 Q547E539-E543 WeakPolarHBondContact O-CG 3.2Å; E539-E543 PolarHBondContact O-N 3.26Å; S540-E543 PolarHBondContact O-N 3.5Å; L541-E543 VanDerWaalsContact C-N 3.32Å; E543-M545 PolarHBondContact O-N 2.9Å; E543-R546 CarbonylContact O-C 3.59Å; E543-R546 WeakPolarHBondContact O-CA 3.45Å; E543-R546 WeakPolarHBondContact O-CB 3.45Å; E543-R546 PolarHBondContact O-N 3.37Å; E543-R546 IonicContact OE1-NH2 3.88Å; E543-R546 PolarHBondContact OE1-NH2 3.47Å; E543-R546 VanDerWaalsContact OE1-NH2 3.07Å; E543-Q547 WeakPolarHBondContact O-CB 3.35Å; E543-Q547 WeakPolarHBondContact O-CG 3.36Å; E543-Q547 PolarHBondContact O-N 3.29Å
544F95.9Very high90.6Very high108 Ų108110.6 Ų110.647%0.47454%0.543SS..Hα-helixtrans-55.3-40.9173.2177.8-106.7000111.5S540 Q547 K548S540-F544 WeakPolarHBondContact O-CB 3.44Å; S540-F544 PolarHBondContact O-N 2.98Å; F544-Q547 PolarHBondContact O-N 2.84Å; F544-K548 HydrophobicContact CE1-CD 4.18Å; F544-K548 HydrophobicContact CZ-CD 4.25Å; F544-K548 WeakPolarHBondContact O-CB 3.32Å; F544-K548 PolarHBondContact O-N 3.47Å
545M96.7Very high92.3Very high104 Ų104110.1 Ų110.151%0.51253%0.531SS..Hα-helixtrans-69.8-37175.6-70.2-68-81.300113.1L541 R542 E543 A549L541-M545 WeakPolarHBondContact O-CB 3.41Å; L541-M545 VanDerWaalsContact O-CG 3.25Å; L541-M545 WeakPolarHBondContact O-CG 3.33Å; L541-M545 PolarHBondContact O-N 3.27Å; R542-M545 PolarHBondContact O-N 3.38Å; E543-M545 PolarHBondContact O-N 2.9Å; M545-A549 WeakPolarHBondContact O-CB 3.16Å; M545-A549 PolarHBondContact O-N 2.9Å
546R96.9Very high94.1Very high128 Ų128106.1 Ų106.148%0.48351%0.505SS..Hα-helixtrans-60.7-50.3170.6-73.8-171.3-71.6-120.319.5110.7R542 E543 A549 Q550R542-R546 WeakPolarHBondContact O-CG 3.46Å; R542-R546 PolarHBondContact O-N 2.91Å; E543-R546 CarbonylContact O-C 3.59Å; E543-R546 WeakPolarHBondContact O-CA 3.45Å; E543-R546 WeakPolarHBondContact O-CB 3.45Å; E543-R546 PolarHBondContact O-N 3.37Å; E543-R546 IonicContact OE1-NH2 3.88Å; E543-R546 PolarHBondContact OE1-NH2 3.47Å; E543-R546 VanDerWaalsContact OE1-NH2 3.07Å; R546-A549 PolarHBondContact O-N 3.22Å; R546-Q550 WeakPolarHBondContact O-CG 3.4Å; R546-Q550 PolarHBondContact O-N 2.93Å
547Q97.4Very high95.4Very high120 Ų120103.9 Ų103.956%0.56150%0.498SS*.Hα-helixtrans-61-47.2178.2-70174.64.400111.6E543 F544 A549 Q550 A551E543-Q547 WeakPolarHBondContact O-CB 3.35Å; E543-Q547 WeakPolarHBondContact O-CG 3.36Å; E543-Q547 PolarHBondContact O-N 3.29Å; F544-Q547 PolarHBondContact O-N 2.84Å; Q547-A549 VanDerWaalsContact C-N 3.28Å; Q547-A549 PolarHBondContact O-N 2.95Å; Q547-Q550 PolarHBondContact O-N 3.26Å; Q547-Q550 VanDerWaalsContact O-N 3.11Å; Q547-A551 WeakPolarHBondContact O-CB 3.3Å; Q547-A551 PolarHBondContact O-N 2.89Å
548K97.8Very high96.1Very high105 Ų105107 Ų10746%0.45751%0.505SS..Hα-helixtrans-64.1-31.3177.4-165.7168.8-173.11730112.4F544 R552F544-K548 HydrophobicContact CE1-CD 4.18Å; F544-K548 HydrophobicContact CZ-CD 4.25Å; F544-K548 WeakPolarHBondContact O-CB 3.32Å; F544-K548 PolarHBondContact O-N 3.47Å; K548-R552 WeakPolarHBondContact O-CG 3.48Å; K548-R552 PolarHBondContact O-N 3.42Å; K548-R552 PolarHBondContact O-NE 3.28Å
549A97.9Very high96.4Very high34 Ų34107.7 Ų107.728%0.28150%0.499SS..Hα-helixtrans-71.4-40.5170.600000112.8M545 R546 Q547 R553M545-A549 WeakPolarHBondContact O-CB 3.16Å; M545-A549 PolarHBondContact O-N 2.9Å; R546-A549 PolarHBondContact O-N 3.22Å; Q547-A549 VanDerWaalsContact C-N 3.28Å; Q547-A549 PolarHBondContact O-N 2.95Å; A549-R553 WeakPolarHBondContact O-CG 3.44Å; A549-R553 PolarHBondContact O-N 3.5Å; A549-R553 VanDerWaalsContact O-N 3.16Å
550Q97.6Very high96.7Very high107 Ų107107 Ų10750%0.549%0.494SS..Hα-helixtrans-65.6-41174.6-71.7174.1-5.600112.3R546 Q547 R553 R554R546-Q550 WeakPolarHBondContact O-CG 3.4Å; R546-Q550 PolarHBondContact O-N 2.93Å; Q547-Q550 PolarHBondContact O-N 3.26Å; Q547-Q550 VanDerWaalsContact O-N 3.11Å; Q550-R553 WeakPolarHBondContact O-CB 3.4Å; Q550-R553 PolarHBondContact O-N 3.2Å; Q550-R553 VanDerWaalsContact O-N 3.1Å; Q550-R554 PolarHBondContact O-N 3.33Å
551A97.4Very high97Very high55 Ų55107.3 Ų107.346%0.45550%0.5SS..Hα-helixtrans-58.8-48.117600000111.7Q547 R553 R554 Q555Q547-A551 WeakPolarHBondContact O-CB 3.3Å; Q547-A551 PolarHBondContact O-N 2.89Å; A551-R553 VanDerWaalsContact C-N 3.27Å; A551-R553 PolarHBondContact O-N 3.27Å; A551-R554 PolarHBondContact O-N 3.07Å; A551-R554 VanDerWaalsContact O-N 3.12Å; A551-Q555 PolarHBondContact O-N 3.15Å
552R98.2Very high97.2Very high139 Ų139105.4 Ų105.453%0.52550%0.495SS..Hα-helixtrans-60-34.2173.5-71.4-177.9-61-136.6-0.5113K548 A556K548-R552 WeakPolarHBondContact O-CG 3.48Å; K548-R552 PolarHBondContact O-N 3.42Å; K548-R552 PolarHBondContact O-NE 3.28Å; R552-A556 WeakPolarHBondContact O-CB 3.22Å; R552-A556 PolarHBondContact O-N 3.03Å
553R97.6Very high97.3Very high185 Ų185100.4 Ų100.470%0.69849%0.488SS*.Hα-helixtrans-67.8-38.5174.6-72.7176.1179.9-173.30.5112.2A549 Q550 A551 L557A549-R553 WeakPolarHBondContact O-CG 3.44Å; A549-R553 PolarHBondContact O-N 3.5Å; A549-R553 VanDerWaalsContact O-N 3.16Å; Q550-R553 WeakPolarHBondContact O-CB 3.4Å; Q550-R553 PolarHBondContact O-N 3.2Å; Q550-R553 VanDerWaalsContact O-N 3.1Å; A551-R553 VanDerWaalsContact C-N 3.27Å; A551-R553 PolarHBondContact O-N 3.27Å; R553-L557 WeakPolarHBondContact O-CG 3.42Å; R553-L557 PolarHBondContact O-N 2.87Å
554R97.7Very high97.4Very high172 Ų172101.7 Ų101.765%0.64950%0.498SS*.Hα-helixtrans-65.3-52.6174.7-70-179.2178.6172.2-0.4111.2Q550 A551 A556 L557 E558Q550-R554 PolarHBondContact O-N 3.33Å; A551-R554 PolarHBondContact O-N 3.07Å; A551-R554 VanDerWaalsContact O-N 3.12Å; R554-A556 VanDerWaalsContact C-N 3.32Å; R554-A556 PolarHBondContact O-N 3.18Å; R554-L557 WeakPolarHBondContact O-CA 3.4Å; R554-L557 WeakPolarHBondContact O-CB 3.49Å; R554-L557 PolarHBondContact O-N 3.35Å; R554-E558 PolarHBondContact O-N 3.25Å
555Q97.8Very high97.5Very high103 Ų103105.1 Ų105.148%0.48151%0.508SS..Hα-helixtrans-52.7-47.5174.6-177.6-175.4-14.300111.9A551 L557 E558 E559A551-Q555 PolarHBondContact O-N 3.15Å; Q555-L557 PolarHBondContact O-N 3.38Å; Q555-L557 VanDerWaalsContact O-N 3.15Å; Q555-E558 PolarHBondContact O-N 3Å; Q555-E559 HydrophobicContact CG-CG 4.33Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.42Å; Q555-E559 PolarHBondContact NE2-OE1 3.1Å; Q555-E559 WeakPolarHBondContact O-CB 3.35Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 2.86Å
556A97.6Very high97.5Very high35 Ų35104.7 Ų104.729%0.28951%0.511SS..Hα-helixtrans-71.1-5179.100000115R552 R554 K560R552-A556 WeakPolarHBondContact O-CB 3.22Å; R552-A556 PolarHBondContact O-N 3.03Å; R554-A556 VanDerWaalsContact C-N 3.32Å; R554-A556 PolarHBondContact O-N 3.18Å; A556-K560 WeakPolarHBondContact O-CD 3.1Å; A556-K560 WeakPolarHBondContact O-CE 3.36Å; A556-K560 VanDerWaalsContact O-CG 3.26Å; A556-K560 WeakPolarHBondContact O-CG 3.4Å
557L97.3Very high97.5Very high115 Ų115107.7 Ų107.760%0.60252%0.522SS*.Hα-helixtrans-96.2-40.7167.7-71.3168.7000110.8R553 R554 Q555 K560 A561R553-L557 WeakPolarHBondContact O-CG 3.42Å; R553-L557 PolarHBondContact O-N 2.87Å; R554-L557 WeakPolarHBondContact O-CA 3.4Å; R554-L557 WeakPolarHBondContact O-CB 3.49Å; R554-L557 PolarHBondContact O-N 3.35Å; Q555-L557 PolarHBondContact O-N 3.38Å; Q555-L557 VanDerWaalsContact O-N 3.15Å; L557-K560 PolarHBondContact O-N 3.46Å; L557-A561 PolarHBondContact O-N 3.29Å
558E97.2Very high97.5Very high128 Ų128106.3 Ų106.360%0.59852%0.516SS*.Hα-helixtrans-61.4-44.1173.9-69.5158.2-147.900111.7R554 Q555 K560 A561 S562R554-E558 PolarHBondContact O-N 3.25Å; Q555-E558 PolarHBondContact O-N 3Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 3.46Å; E558-A561 PolarHBondContact O-N 2.87Å; E558-S562 PolarHBondContact O-N 3.36Å
559E96.7Very high97.5Very high102 Ų102106.2 Ų106.248%0.47752%0.52SS..Hα-helixtrans-61.6-37172.9-74173.3-177.700112.4Q555 S562 A563Q555-E559 HydrophobicContact CG-CG 4.33Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.42Å; Q555-E559 PolarHBondContact NE2-OE1 3.1Å; Q555-E559 WeakPolarHBondContact O-CB 3.35Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 2.86Å; E559-S562 PolarHBondContact O-OG 3.27Å; E559-A563 VanDerWaalsContact O-CB 3.28Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 3.37Å
560K98.2Very high97.5Very high110 Ų110112.6 Ų112.648%0.47854%0.536SS..Hα-helixtrans-69.3-39.9174.9-73.4171.3-169.1158.90111.3A556 L557 E558 A563 L564A556-K560 WeakPolarHBondContact O-CD 3.1Å; A556-K560 WeakPolarHBondContact O-CE 3.36Å; A556-K560 VanDerWaalsContact O-CG 3.26Å; A556-K560 WeakPolarHBondContact O-CG 3.4Å; L557-K560 PolarHBondContact O-N 3.46Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 3.46Å; K560-A563 PolarHBondContact O-N 2.8Å; K560-L564 VanDerWaalsContact O-CG 3.31Å; K560-L564 WeakPolarHBondContact O-CG 3.46Å; K560-L564 PolarHBondContact O-N 2.75Å
561A97.3Very high97.5Very high49 Ų49109.9 Ų109.941%0.40553%0.529SS..Hα-helixtrans-65.3-40.7175.800000111.8L557 E558 L564 R565L557-A561 PolarHBondContact O-N 3.29Å; E558-A561 PolarHBondContact O-N 2.87Å; A561-L564 PolarHBondContact O-N 3.32Å; A561-R565 WeakPolarHBondContact O-CG 3.21Å; A561-R565 PolarHBondContact O-N 3.03Å; A561-R565 VanDerWaalsContact O-N 3.12Å
562S97Very high97.5Very high62 Ų62114.3 Ų114.343%0.43453%0.534SS..Hα-helixtrans-66.7-44.2175.372.90000111.7E558 E559 L564 R565 T566E558-S562 PolarHBondContact O-N 3.36Å; E559-S562 PolarHBondContact O-OG 3.27Å; S562-L564 VanDerWaalsContact C-N 3.32Å; S562-L564 PolarHBondContact O-N 2.93Å; S562-R565 PolarHBondContact O-N 3.34Å; S562-R565 VanDerWaalsContact O-N 3.16Å; S562-T566 PolarHBondContact O-N 3.29Å; S562-T566 PolarHBondContact O-OG1 3.27Å
563A97.4Very high97.5Very high59 Ų59115.8 Ų115.849%0.48854%0.54SS..Hα-helixtrans-61-37.3176.700000113E559 K560 R567E559-A563 VanDerWaalsContact O-CB 3.28Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 3.37Å; K560-A563 PolarHBondContact O-N 2.8Å; A563-R567 WeakPolarHBondContact O-CB 3.49Å; A563-R567 PolarHBondContact O-N 3.41Å
564L97.7Very high97.5Very high116 Ų116111 Ų11161%0.60753%0.528SS*.Hα-helixtrans-64.7-46.4173-73.7171.6000111.7K560 A561 S562 T566 R567 E568K560-L564 VanDerWaalsContact O-CG 3.31Å; K560-L564 WeakPolarHBondContact O-CG 3.46Å; K560-L564 PolarHBondContact O-N 2.75Å; A561-L564 PolarHBondContact O-N 3.32Å; S562-L564 VanDerWaalsContact C-N 3.32Å; S562-L564 PolarHBondContact O-N 2.93Å; L564-T566 PolarHBondContact O-N 3.31Å; L564-R567 PolarHBondContact O-N 3.41Å; L564-E568 PolarHBondContact O-N 2.88Å
565R97.9Very high97.4Very high180 Ų180109 Ų10968%0.67953%0.525SS*.Hα-helixtrans-59.6-43.6175-71.8176177.5178.1-0.2112.1A561 S562 E568 L569A561-R565 WeakPolarHBondContact O-CG 3.21Å; A561-R565 PolarHBondContact O-N 3.03Å; A561-R565 VanDerWaalsContact O-N 3.12Å; S562-R565 PolarHBondContact O-N 3.34Å; S562-R565 VanDerWaalsContact O-N 3.16Å; R565-E568 PolarHBondContact O-N 3.18Å; R565-L569 WeakPolarHBondContact O-CG 3.32Å; R565-L569 PolarHBondContact O-N 3.47Å
566T96.8Very high97.3Very high94 Ų94107 Ų10758%0.57752%0.516SS*.Hα-helixtrans-63.5-40.7176.5-59.90000112S562 L564 R570S562-T566 PolarHBondContact O-N 3.29Å; S562-T566 PolarHBondContact O-OG1 3.27Å; L564-T566 PolarHBondContact O-N 3.31Å; T566-R570 PolarHBondContact O-N 3.3Å
567R97.9Very high97.2Very high192 Ų192108.6 Ų108.673%0.72552%0.522SS*.Hα-helixtrans-62.9-43.1173.5-178.8178.7175.4-173-2.9111.5A563 L564 R570 S571A563-R567 WeakPolarHBondContact O-CB 3.49Å; A563-R567 PolarHBondContact O-N 3.41Å; L564-R567 PolarHBondContact O-N 3.41Å; R567-R570 WeakPolarHBondContact O-CB 3.37Å; R567-R570 PolarHBondContact O-N 2.83Å; R567-S571 PolarHBondContact O-N 3.45Å; R567-S571 PolarHBondContact O-OG 3.42Å
568E97.3Very high97.1Very high91 Ų91109.1 Ų109.143%0.42552%0.517SS..Hα-helixtrans-63.7-46.3179.7-161.4-162.8145.900111.8L564 R565 R570 S571 R572L564-E568 PolarHBondContact O-N 2.88Å; R565-E568 PolarHBondContact O-N 3.18Å; E568-R570 VanDerWaalsContact C-N 3.28Å; E568-R570 PolarHBondContact O-N 2.97Å; E568-S571 VanDerWaalsContact CA-OG 3.32Å; E568-S571 WeakPolarHBondContact CA-OG 3.32Å; E568-S571 PolarHBondContact O-N 3Å; E568-S571 VanDerWaalsContact O-N 3.12Å; E568-S571 PolarHBondContact O-OG 2.97Å; E568-R572 WeakPolarHBondContact O-CG 3.49Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE1-CZ 2.87Å; E568-R572 IonicContact OE1-NE 3.73Å; E568-R572 PolarHBondContact OE1-NE 2.99Å; E568-R572 IonicContact OE1-NH2 3.94Å; E568-R572 PolarHBondContact OE1-NH2 3.35Å
569L97.7Very high96.9Very high103 Ų103107.9 Ų107.954%0.53951%0.507SS..Hα-helixtrans-58.2-39173.4-72.6169.8000111.9R565 R572 R573R565-L569 WeakPolarHBondContact O-CG 3.32Å; R565-L569 PolarHBondContact O-N 3.47Å; L569-R572 PolarHBondContact O-N 3.48Å; L569-R573 WeakPolarHBondContact O-CB 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.32Å; L569-R573 PolarHBondContact O-N 2.88Å
570R98Very high96.7Very high167 Ų167107.8 Ų107.863%0.6351%0.506SS*.Hα-helixtrans-65.5-40.7174.2-174.6172.4177.2154.1-0.1112.2T566 R567 E568 L574T566-R570 PolarHBondContact O-N 3.3Å; R567-R570 WeakPolarHBondContact O-CB 3.37Å; R567-R570 PolarHBondContact O-N 2.83Å; E568-R570 VanDerWaalsContact C-N 3.28Å; E568-R570 PolarHBondContact O-N 2.97Å; R570-L574 WeakPolarHBondContact O-CB 3.44Å; R570-L574 PolarHBondContact O-N 2.97Å
571S96.8Very high96.4Very high50 Ų50107.7 Ų107.735%0.3551%0.507SS..Hα-helixtrans-67-39.5174.139.90000113R567 E568 L574 Q575R567-S571 PolarHBondContact O-N 3.45Å; R567-S571 PolarHBondContact O-OG 3.42Å; E568-S571 VanDerWaalsContact CA-OG 3.32Å; E568-S571 WeakPolarHBondContact CA-OG 3.32Å; E568-S571 PolarHBondContact O-N 3Å; E568-S571 VanDerWaalsContact O-N 3.12Å; E568-S571 PolarHBondContact O-OG 2.97Å; S571-L574 PolarHBondContact O-N 3.43Å; S571-Q575 WeakPolarHBondContact O-CB 3.37Å; S571-Q575 WeakPolarHBondContact O-CG 3.37Å; S571-Q575 PolarHBondContact O-N 2.99Å
572R97.4Very high95.9Very high148 Ų148112.2 Ų112.256%0.55851%0.514SS*.Hα-helixtrans-61.7-46174.6-69.3177-177.4-138.26.6111.1E568 L569 L574 Q575 E576E568-R572 WeakPolarHBondContact O-CG 3.49Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE1-CZ 2.87Å; E568-R572 IonicContact OE1-NE 3.73Å; E568-R572 PolarHBondContact OE1-NE 2.99Å; E568-R572 IonicContact OE1-NH2 3.94Å; E568-R572 PolarHBondContact OE1-NH2 3.35Å; L569-R572 PolarHBondContact O-N 3.48Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.25Å; R572-Q575 PolarHBondContact O-N 2.81Å; R572-E576 WeakPolarHBondContact O-CB 3.28Å; R572-E576 PolarHBondContact O-N 2.73Å
573R97.9Very high95.5Very high171 Ų171113.7 Ų113.765%0.64551%0.514SS*.Hα-helixtrans-60.3-39.1173.7-73.8177.7-179.8-169.6-0112.9L569 E576 V577L569-R573 WeakPolarHBondContact O-CB 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.32Å; L569-R573 PolarHBondContact O-N 2.88Å; R573-E576 PolarHBondContact O-N 3.01Å; R573-V577 WeakPolarHBondContact O-CG2 3.41Å; R573-V577 PolarHBondContact O-N 3.33Å
574L97.7Very high94.8Very high85 Ų85113.8 Ų113.845%0.44552%0.515SS..Hα-helixtrans-71-39.4178.3-177.861.2000112.3R570 S571 R572 E576 V577 Y578R570-L574 WeakPolarHBondContact O-CB 3.44Å; R570-L574 PolarHBondContact O-N 2.97Å; S571-L574 PolarHBondContact O-N 3.43Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.25Å; L574-E576 VanDerWaalsContact C-N 3.29Å; L574-E576 PolarHBondContact O-N 2.87Å; L574-V577 PolarHBondContact O-N 3.38Å; L574-Y578 HydrophobicContact CD1-CD2 4.16Å; L574-Y578 HydrophobicContact CD1-CE2 3.67Å; L574-Y578 HydrophobicContact CD2-CE2 4.05Å; L574-Y578 HydrophobicContact CG-CD2 3.95Å; L574-Y578 HydrophobicContact CG-CE2 3.57Å; L574-Y578 WeakPolarHBondContact O-CD2 3.49Å; L574-Y578 PolarHBondContact O-N 2.96Å
575Q96.6Very high94.1Very high128 Ų128113.9 Ų113.960%0.59852%0.52SS*.Hα-helixtrans-61.4-39.1171.9-74.2168.9-14.400111.6S571 R572 Y578 R579S571-Q575 WeakPolarHBondContact O-CB 3.37Å; S571-Q575 WeakPolarHBondContact O-CG 3.37Å; S571-Q575 PolarHBondContact O-N 2.99Å; R572-Q575 PolarHBondContact O-N 2.81Å; Q575-Y578 PolarHBondContact O-N 3.5Å; Q575-R579 WeakPolarHBondContact O-CB 3.45Å; Q575-R579 PolarHBondContact O-N 3.05Å
576E95.5Very high92.9Very high63 Ų63112 Ų11229%0.29452%0.522SS..Hα-helixtrans-65.2-44175.2-178.758.5-163.900112.1R572 R573 L574 Y578 R579 Q580R572-E576 WeakPolarHBondContact O-CB 3.28Å; R572-E576 PolarHBondContact O-N 2.73Å; R573-E576 PolarHBondContact O-N 3.01Å; L574-E576 VanDerWaalsContact C-N 3.29Å; L574-E576 PolarHBondContact O-N 2.87Å; E576-Y578 PolarHBondContact O-N 3.15Å; E576-R579 VanDerWaalsContact CD-NH2 3.26Å; E576-R579 WeakPolarHBondContact O-CB 3.43Å; E576-R579 PolarHBondContact O-N 3.37Å; E576-R579 VanDerWaalsContact O-N 3.1Å; E576-R579 IonicContact OE1-CZ 2.81Å; E576-R579 IonicContact OE1-NE 2.73Å; E576-R579 IonicContact OE1-NH2 3.59Å; E576-R579 PolarHBondContact OE1-NH2 2.76Å; E576-R579 IonicContact OE2-CZ 2.66Å; E576-R579 IonicContact OE2-NE 3.98Å; E576-R579 PolarHBondContact OE2-NE 3.24Å; E576-R579 IonicContact OE2-NH2 2.92Å; E576-R579 PolarHBondContact OE2-NH2 3.46Å; E576-Q580 WeakPolarHBondContact O-CG 3.31Å; E576-Q580 PolarHBondContact O-N 2.89Å; E576-Q580 PolarHBondContact OE1-NE2 3.26Å
577V96.3Very high91.3Very high67 Ų67110.3 Ų110.341%0.40652%0.524SS..Hα-helixtrans-60.3-44.2172.61700000111.3R573 L574 R579 Q580 Q581R573-V577 WeakPolarHBondContact O-CG2 3.41Å; R573-V577 PolarHBondContact O-N 3.33Å; L574-V577 PolarHBondContact O-N 3.38Å; V577-R579 VanDerWaalsContact C-N 3.26Å; V577-R579 PolarHBondContact O-N 2.79Å; V577-Q580 PolarHBondContact O-N 2.89Å; V577-Q581 HydrophobicContact CG1-CG 4.5Å; V577-Q581 WeakPolarHBondContact O-CB 3.33Å; V577-Q581 WeakPolarHBondContact O-CG 3.3Å; V577-Q581 PolarHBondContact O-N 3.24Å
578Y93.9Very high89.1Confident127 Ų127110 Ų11050%0.49852%0.523SS..Hα-helixtrans-66.8-26175.2-72.9-50.3000113.4L574 Q575 E576 Q581 R582L574-Y578 HydrophobicContact CD1-CD2 4.16Å; L574-Y578 HydrophobicContact CD1-CE2 3.67Å; L574-Y578 HydrophobicContact CD2-CE2 4.05Å; L574-Y578 HydrophobicContact CG-CD2 3.95Å; L574-Y578 HydrophobicContact CG-CE2 3.57Å; L574-Y578 WeakPolarHBondContact O-CD2 3.49Å; L574-Y578 PolarHBondContact O-N 2.96Å; Q575-Y578 PolarHBondContact O-N 3.5Å; E576-Y578 PolarHBondContact O-N 3.15Å; Y578-Q581 VanDerWaalsContact CD1-OE1 3.31Å; Y578-R582 WeakPolarHBondContact O-CG 3.5Å; Y578-R582 PolarHBondContact O-N 3.04Å; Y578-R582 PolarHBondContact O-NH1 2.77Å
579R92.7Very high86.5Confident101 Ų101110.2 Ų110.238%0.38154%0.54SS..Hα-helixtrans-71.2-52.1172.3-179.8174.277.196.2-4.6110.1Q575 E576 V577 Q581 R582 E583Q575-R579 WeakPolarHBondContact O-CB 3.45Å; Q575-R579 PolarHBondContact O-N 3.05Å; E576-R579 VanDerWaalsContact CD-NH2 3.26Å; E576-R579 WeakPolarHBondContact O-CB 3.43Å; E576-R579 PolarHBondContact O-N 3.37Å; E576-R579 VanDerWaalsContact O-N 3.1Å; E576-R579 IonicContact OE1-CZ 2.81Å; E576-R579 IonicContact OE1-NE 2.73Å; E576-R579 IonicContact OE1-NH2 3.59Å; E576-R579 PolarHBondContact OE1-NH2 2.76Å; E576-R579 IonicContact OE2-CZ 2.66Å; E576-R579 IonicContact OE2-NE 3.98Å; E576-R579 PolarHBondContact OE2-NE 3.24Å; E576-R579 IonicContact OE2-NH2 2.92Å; E576-R579 PolarHBondContact OE2-NH2 3.46Å; V577-R579 VanDerWaalsContact C-N 3.26Å; V577-R579 PolarHBondContact O-N 2.79Å; R579-Q581 VanDerWaalsContact C-N 3.26Å; R579-Q581 PolarHBondContact O-N 2.96Å; R579-R582 PolarHBondContact O-N 3.19Å; R579-E583 WeakPolarHBondContact CD-OE1 3.42Å; R579-E583 HydrophobicContact CG-CG 4.39Å; R579-E583 WeakPolarHBondContact CG-OE1 3.34Å; R579-E583 IonicContact CZ-OE1 2.69Å; R579-E583 IonicContact CZ-OE2 3.82Å; R579-E583 IonicContact NE-OE1 2.61Å; R579-E583 IonicContact NH1-OE1 3.02Å; R579-E583 PolarHBondContact NH1-OE1 2.87Å; R579-E583 IonicContact NH1-OE2 3.2Å; R579-E583 PolarHBondContact NH1-OE2 3.15Å; R579-E583 WeakPolarHBondContact O-CG 3.24Å; R579-E583 PolarHBondContact O-N 2.96Å
580Q92.9Very high83.8Confident101 Ų101109.7 Ų109.747%0.47254%0.541SS..Hα-helixtrans-59.5-34.3176.8-68.8174.48.300112.5E576 V577 E583 A584E576-Q580 WeakPolarHBondContact O-CG 3.31Å; E576-Q580 PolarHBondContact O-N 2.89Å; E576-Q580 PolarHBondContact OE1-NE2 3.26Å; V577-Q580 PolarHBondContact O-N 2.89Å; Q580-E583 PolarHBondContact O-N 3.12Å; Q580-A584 WeakPolarHBondContact O-CB 3.49Å; Q580-A584 PolarHBondContact O-N 2.88Å
581Q91.3Very high81.3Confident107 Ų107107.5 Ų107.550%0.555%0.548SS..Hα-helixtrans-65.4-42.2172.3-77.5175.4-21.400112.6V577 Y578 R579 A584 V585V577-Q581 HydrophobicContact CG1-CG 4.5Å; V577-Q581 WeakPolarHBondContact O-CB 3.33Å; V577-Q581 WeakPolarHBondContact O-CG 3.3Å; V577-Q581 PolarHBondContact O-N 3.24Å; Y578-Q581 VanDerWaalsContact CD1-OE1 3.31Å; R579-Q581 VanDerWaalsContact C-N 3.26Å; R579-Q581 PolarHBondContact O-N 2.96Å; Q581-A584 PolarHBondContact O-N 2.93Å; Q581-V585 VanDerWaalsContact O-CG2 3.31Å; Q581-V585 WeakPolarHBondContact O-CG2 3.26Å; Q581-V585 PolarHBondContact O-N 3.13Å
582R87.8Confident78.8Confident145 Ų145109.9 Ų109.955%0.54756%0.561SS.*Hα-helixtrans-66.4-42.4173.5-68.5-171.3-51.6-83.93.3111.6Y578 R579 A584 V585 L586Y578-R582 WeakPolarHBondContact O-CG 3.5Å; Y578-R582 PolarHBondContact O-N 3.04Å; Y578-R582 PolarHBondContact O-NH1 2.77Å; R579-R582 PolarHBondContact O-N 3.19Å; R582-A584 VanDerWaalsContact C-N 3.31Å; R582-A584 PolarHBondContact O-N 2.88Å; R582-V585 PolarHBondContact O-N 3.19Å; R582-L586 WeakPolarHBondContact O-CB 3.37Å; R582-L586 VanDerWaalsContact O-CG 3.32Å; R582-L586 WeakPolarHBondContact O-CG 3.34Å; R582-L586 PolarHBondContact O-N 3.09Å
583E87.7Confident76.5Confident93 Ų93108.1 Ų108.144%0.43557%0.566SS.*Hα-helixtrans-65.2-33177.4-70.8167.4-177.600111.8R579 Q580 G587R579-E583 WeakPolarHBondContact CD-OE1 3.42Å; R579-E583 HydrophobicContact CG-CG 4.39Å; R579-E583 WeakPolarHBondContact CG-OE1 3.34Å; R579-E583 IonicContact CZ-OE1 2.69Å; R579-E583 IonicContact CZ-OE2 3.82Å; R579-E583 IonicContact NE-OE1 2.61Å; R579-E583 IonicContact NH1-OE1 3.02Å; R579-E583 PolarHBondContact NH1-OE1 2.87Å; R579-E583 IonicContact NH1-OE2 3.2Å; R579-E583 PolarHBondContact NH1-OE2 3.15Å; R579-E583 WeakPolarHBondContact O-CG 3.24Å; R579-E583 PolarHBondContact O-N 2.96Å; Q580-E583 PolarHBondContact O-N 3.12Å; E583-G587 WeakPolarHBondContact O-CA 3.37Å; E583-G587 PolarHBondContact O-N 3.23Å
584A83.1Confident73.9Confident60 Ų60103.9 Ų103.950%0.49656%0.563SS.*Hα-helixtrans-74.1-37173.800000113.3Q580 Q581 R582 R588Q580-A584 WeakPolarHBondContact O-CB 3.49Å; Q580-A584 PolarHBondContact O-N 2.88Å; Q581-A584 PolarHBondContact O-N 2.93Å; R582-A584 VanDerWaalsContact C-N 3.31Å; R582-A584 PolarHBondContact O-N 2.88Å; A584-R588 PolarHBondContact O-N 3.36Å
585V82.7Confident71.8Confident118 Ų118111.6 Ų111.672%0.71559%0.586SS**Hα-helixtrans-70.6-41.7176168.40000111.4Q581 R582Q581-V585 VanDerWaalsContact O-CG2 3.31Å; Q581-V585 WeakPolarHBondContact O-CG2 3.26Å; Q581-V585 PolarHBondContact O-N 3.13Å; R582-V585 PolarHBondContact O-N 3.19Å
586L73.3Confident69.5Low140 Ų140111.4 Ų111.473%0.73359%0.594SS**Hα-helixtrans-82.3-30.9179.6-63.7170.8000112.8R582R582-L586 WeakPolarHBondContact O-CB 3.37Å; R582-L586 VanDerWaalsContact O-CG 3.32Å; R582-L586 WeakPolarHBondContact O-CG 3.34Å; R582-L586 PolarHBondContact O-N 3.09Å
587G62.7Low67Low60 Ų60113.8 Ų113.862%0.61961%0.613SS**Hα-helixtrans-86-6.1-176.800000115.3E583E583-G587 WeakPolarHBondContact O-CA 3.37Å; E583-G587 PolarHBondContact O-N 3.23Å
588R52.3Low64.5Low186 Ų186116.6 Ų116.670%0.70263%0.632SS**  trans-100.750.4171-90.1-170.2163.5-114.80.3112.9A584 V590A584-R588 PolarHBondContact O-N 3.36Å; R588-V590 PolarHBondContact O-N 2.93Å
589A42.2Very low61.9Low94 Ų94114 Ų11478%0.77764%0.644SS**  trans-72.448.4161.700000112.1
590V40.9Very low59.8Low93 Ų93116.5 Ų116.556%0.56466%0.664SS**SBendtrans-138111.7172.4-174.20000107.8R588 V592R588-V590 PolarHBondContact O-N 2.93Å; V590-V592 HydrophobicContact CB-CG2 4.38Å; V590-V592 HydrophobicContact CG1-CG2 3.77Å; V590-V592 PolarHBondContact O-N 2.66Å
591P45Very low57.7Low120 Ų120116.5 Ų116.578%0.77967%0.67SS**  trans-76.773-178.131.8-35.3000111.2V593P591-V593 PolarHBondContact O-N 3.39Å
592V45.7Very low55.7Low100 Ų100116.6 Ų116.661%0.60668%0.678SS**  trans-75.270.7170.9-1710000109.2V590 S594V590-V592 HydrophobicContact CB-CG2 4.38Å; V590-V592 HydrophobicContact CG1-CG2 3.77Å; V590-V592 PolarHBondContact O-N 2.66Å; V592-S594 PolarHBondContact O-N 3.05Å
593V47.5Very low53.3Low112 Ų112117.2 Ų117.268%0.67969%0.685SS**  trans-73.1112.7169.7-179.60000107.9P591 R595P591-V593 PolarHBondContact O-N 3.39Å; V593-R595 PolarHBondContact O-N 2.78Å; V593-R595 VanDerWaalsContact O-N 3.07Å
594S44.4Very low51.6Low82 Ų82118 Ų11857%0.57370%0.696SS**  trans-64.1106.5175.4-56.20000110V592 T596V592-S594 PolarHBondContact O-N 3.05Å; S594-T596 PolarHBondContact O-N 2.79Å
595R53.8Low49.8Very low247 Ų247120 Ų12093%0.93270%0.704SS**THydrogen-bonded Turntrans-65.917.3-178.5-74.5-171.6166.2-161.2-4115.2V593V593-R595 PolarHBondContact O-N 2.78Å; V593-R595 VanDerWaalsContact O-N 3.07Å
596T46.9Very low47.7Very low124 Ų124118.5 Ų118.576%0.76170%0.699SS**THydrogen-bonded Turntrans-143.712.1-162.752.50000114.7S594S594-T596 PolarHBondContact O-N 2.79Å
597T43.7Very low46.1Very low113 Ų113117.6 Ų117.669%0.69370%0.704SS**  trans-147.5123.7174.9-490000111.1
598P44Very low45.1Very low126 Ų126118.8 Ų118.882%0.81871%0.708SS**  trans-80140-177.431.3-34.3000112.9
599G39Very low44.5Very low73 Ų73119.2 Ų119.275%0.75372%0.718SS**  trans81.270.8148.300000118.7
600I48Very low44.4Very low153 Ų153120.3 Ų120.379%0.78572%0.72SS**  trans-113112.4146.9-59179.9000107.6T602I600-T602 HydrophobicContact CG2-CG2 4.16Å; I600-T602 PolarHBondContact O-N 2.8Å
601V50.7Low44.2Very low101 Ų101120 Ų12061%0.61274%0.735SS**  trans-79.5103.5177.7-178.10000109.3F603V601-F603 HydrophobicContact CG1-CD2 4.18Å; V601-F603 HydrophobicContact CG1-CE1 4.3Å; V601-F603 HydrophobicContact CG1-CE2 3.69Å; V601-F603 HydrophobicContact CG1-CZ 3.76Å
602T47.3Very low43.8Very low109 Ų109117.4 Ų117.467%0.66973%0.731SS**  trans-97.3100.717552.70000110.8I600 V604I600-T602 HydrophobicContact CG2-CG2 4.16Å; I600-T602 PolarHBondContact O-N 2.8Å; T602-V604 PolarHBondContact O-N 2.76Å
603F38.7Very low43.8Very low157 Ų157120.4 Ų120.469%0.68974%0.742SS**  trans-68.7126169.9-62.4-84.5000110.3V601V601-F603 HydrophobicContact CG1-CD2 4.18Å; V601-F603 HydrophobicContact CG1-CE1 4.3Å; V601-F603 HydrophobicContact CG1-CE2 3.69Å; V601-F603 HydrophobicContact CG1-CZ 3.76Å
604V51.4Low43.3Very low109 Ų109123.6 Ų123.666%0.66175%0.75SS**  trans-122.7122.7175.5179.50000108T602 S606T602-V604 PolarHBondContact O-N 2.76Å; V604-S606 PolarHBondContact O-N 3.01Å
605P44.9Very low43.1Very low102 Ų102124.4 Ų124.466%0.66276%0.762SS**  trans-71.3111.2174.728.9-32.3000109.2
606S39.4Very low42.3Very low88 Ų88118.9 Ų118.962%0.61576%0.761SS**  trans-107.9110.2-178.5-168.50000110.5V604 A608V604-S606 PolarHBondContact O-N 3.01Å; S606-A608 VanDerWaalsContact C-N 3.32Å; S606-A608 PolarHBondContact O-N 2.76Å; S606-A608 VanDerWaalsContact O-N 3.15Å
607S38.7Very low41.8Very low120 Ų120116.9 Ų116.984%0.83977%0.765SS**  trans-85.871.9174.358.80000110.4Q609S607-Q609 PolarHBondContact O-N 2.97Å
608A41.7Very low41.3Very low85 Ų85116.4 Ų116.470%0.70277%0.766SS**  trans-77.8108.4177.400000110.4S606 S610S606-A608 VanDerWaalsContact C-N 3.32Å; S606-A608 PolarHBondContact O-N 2.76Å; S606-A608 VanDerWaalsContact O-N 3.15Å; A608-S610 PolarHBondContact O-N 2.85Å
609Q40.2Very low41.1Very low196 Ų196119 Ų11992%0.91677%0.773SS**  trans-76.7102.7170.3-71.2178.9-34.200109.3S607 G611S607-Q609 PolarHBondContact O-N 2.97Å; Q609-G611 PolarHBondContact O-N 2.94Å
610S39.6Very low41.3Very low117 Ų117122.9 Ų122.982%0.81877%0.771SS**  trans-7892.6170.854.30000110.3A608 G612A608-S610 PolarHBondContact O-N 2.85Å; S610-G612 PolarHBondContact O-N 3.02Å
611G36.9Very low40.9Very low85 Ų85120.1 Ų120.188%0.87677%0.765SS**  trans-70.6117167.100000110.3Q609Q609-G611 PolarHBondContact O-N 2.94Å
612G37.2Very low40.6Very low67 Ų67121.1 Ų121.169%0.69177%0.774SS**  trans-170.286.7-17600000113.2S610S610-G612 PolarHBondContact O-N 3.02Å
613L46.1Very low40.3Very low162 Ų162121.5 Ų121.585%0.84878%0.776SS**  trans21.1120.5164.9-71.792.2000120.8
614E36.7Very low40.9Very low180 Ų180120.8 Ų120.884%0.84178%0.778SS**  43.386.5125.3-59.4-58.5149.100119
615A41.2Very low40.3Very low99 Ų99123.7 Ų123.782%0.81879%0.785SS**  trans-146.7133.515000000110.2
616S35.8Very low40Very low131 Ų131127.2 Ų127.292%0.91679%0.785SS**  trans-77136.9-168.5-54.70000114.3
617G37.1Very low40.1Very low82 Ų82126.6 Ų126.685%0.84578%0.78SS**  trans10450145.400000119.3
618S32.8Very low40.6Very low103 Ų103127 Ų12772%0.7277%0.767SS**  trans-142139.8152.1-173.70000111
619L40.7Very low40.6Very low181 Ų181128.8 Ų128.895%0.94877%0.769SS**  trans-103.241.5-177.6-137.8172.7000110.9
620E42.5Very low40.8Very low153 Ų153123.7 Ų123.772%0.71575%0.751SS**  trans-87.2132.4-173.6-165.7163.7-168.100112
621S38.8Very low40.9Very low95 Ų95124 Ų12466%0.66475%0.754SS**  trans-68.4136.1179.4-169.70000110.3V623S621-V623 PolarHBondContact O-N 3.36Å
622P44.1Very low41Very low122 Ų122122.3 Ų122.379%0.79274%0.736SS**  trans-61.4107.7-177.324.2-34.1000111.1L624P622-L624 PolarHBondContact O-N 3.49Å
623V42.6Very low41.1Very low118 Ų118127.5 Ų127.572%0.71575%0.745SS**  trans-62.6134-179.5176.60000109.8S621 E625S621-V623 PolarHBondContact O-N 3.36Å; V623-E625 VanDerWaalsContact C-N 3.26Å; V623-E625 PolarHBondContact O-N 3.49Å
624L50.6Low41Very low141 Ų141125.1 Ų125.174%0.73874%0.737SS**  trans-73.179.7174.1-100.2159.2000110.3P622 W626P622-L624 PolarHBondContact O-N 3.49Å; L624-W626 PolarHBondContact O-N 3.46Å; L624-W626 PolarHBondContact O-NE1 2.87Å
625E39.3Very low41.3Very low171 Ų171123.8 Ų123.880%0.79973%0.734SS**  trans-71.6120.7177.8-168.4179.9-172.600111.5V623 S627V623-E625 VanDerWaalsContact C-N 3.26Å; V623-E625 PolarHBondContact O-N 3.49Å; E625-S627 PolarHBondContact O-N 3.16Å
626W37.2Very low41.4Very low176 Ų176121.9 Ų121.967%0.66772%0.724SS**  trans-88.382.6-179.5-67.883.8000110.9L624 K628L624-W626 PolarHBondContact O-N 3.46Å; L624-W626 PolarHBondContact O-NE1 2.87Å; W626-K628 PolarHBondContact O-N 2.86Å
627S42.9Very low41.7Very low74 Ų74120.2 Ų120.252%0.51773%0.728SS.*  trans-6012117944.10000112.8E625 V629E625-S627 PolarHBondContact O-N 3.16Å; S627-V629 VanDerWaalsContact C-N 3.27Å; S627-V629 PolarHBondContact O-N 2.66Å
628K47.8Very low42.2Very low129 Ų129124.7 Ų124.756%0.56173%0.727SS**  trans-72.972.1177.3-177.9-162.9165.3-170.50110.5W626 T630 E639W626-K628 PolarHBondContact O-N 2.86Å; K628-T630 VanDerWaalsContact C-N 3.33Å; K628-T630 HydrophobicContact CG-CG2 4.38Å; K628-T630 PolarHBondContact O-N 2.92Å; K628-E639 VanDerWaalsContact NZ-CD 3.27Å; K628-E639 IonicContact NZ-OE1 2.99Å; K628-E639 PolarHBondContact NZ-OE1 3.26Å; K628-E639 IonicContact NZ-OE2 2.7Å; K628-E639 PolarHBondContact NZ-OE2 3.12Å
629V41.6Very low42.6Very low122 Ų122126 Ų12674%0.73972%0.721SS**  trans-78.680.7177.6-171.50000110.8S627 S631S627-V629 VanDerWaalsContact C-N 3.27Å; S627-V629 PolarHBondContact O-N 2.66Å; V629-S631 PolarHBondContact O-N 3.37Å
630T46Very low42.7Very low89 Ų89121 Ų12155%0.54671%0.706SS.*  trans-74.1114.5164.8440000109.7K628 G632K628-T630 VanDerWaalsContact C-N 3.33Å; K628-T630 HydrophobicContact CG-CG2 4.38Å; K628-T630 PolarHBondContact O-N 2.92Å; T630-G632 PolarHBondContact O-N 3.27Å
631S40.8Very low42.8Very low125 Ų125120.4 Ų120.487%0.87472%0.716SS**  trans-76.55917647.40000112.8V629V629-S631 PolarHBondContact O-N 3.37Å
632G39.9Very low42.9Very low49 Ų49119.1 Ų119.151%0.50572%0.718SS.*  trans-126.8126.6172.100000110.4T630 V634T630-G632 PolarHBondContact O-N 3.27Å; G632-V634 PolarHBondContact O-N 3.3Å
633M37.6Very low42.6Very low176 Ų176117.4 Ų117.487%0.86771%0.709SS**  trans-80.596.8178.8-171-177.281.900109.6L635M633-L635 HydrophobicContact CE-CD1 3.93Å; M633-L635 HydrophobicContact CG-CD1 4.37Å
634V45.7Very low42.4Very low112 Ų112120.2 Ų120.268%0.67971%0.712SS**  trans-95.1111.4-179.5179.20000109.9G632 G636G632-V634 PolarHBondContact O-N 3.3Å; V634-G636 VanDerWaalsContact CG1-O 3.26Å; V634-G636 WeakPolarHBondContact CG1-O 3.38Å
635L41.7Very low42Very low151 Ų151117.7 Ų117.779%0.79171%0.705SS**  trans-87.6128.9159.6-84.177.1000108.3M633M633-L635 HydrophobicContact CE-CD1 3.93Å; M633-L635 HydrophobicContact CG-CD1 4.37Å
636G44.2Very low42Very low59 Ų59116.2 Ų116.261%0.60870%0.701SS**SBendtrans87134.5176.700000114V634 Q638V634-G636 VanDerWaalsContact CG1-O 3.26Å; V634-G636 WeakPolarHBondContact CG1-O 3.38Å; G636-Q638 VanDerWaalsContact C-N 3.33Å; G636-Q638 PolarHBondContact O-N 3.32Å
637G42.5Very low42.4Very low96 Ų96113 Ų11399%0.9971%0.705SS**SBendtrans-78.466.9-173.300000114.6
638Q47.3Very low41.9Very low177 Ų177116.7 Ų116.783%0.82772%0.718SS**  trans-139.390.3174.9-166.7170.661.900111G636G636-Q638 VanDerWaalsContact C-N 3.33Å; G636-Q638 PolarHBondContact O-N 3.32Å
639E41.6Very low41.3Very low129 Ų129117.9 Ų117.960%0.60373%0.73SS**  trans-72.9127.7174.8-171.3168.1-164.700110.1K628K628-E639 VanDerWaalsContact NZ-CD 3.27Å; K628-E639 IonicContact NZ-OE1 2.99Å; K628-E639 PolarHBondContact NZ-OE1 3.26Å; K628-E639 IonicContact NZ-OE2 2.7Å; K628-E639 PolarHBondContact NZ-OE2 3.12Å
640A42.7Very low40.9Very low77 Ų77123.1 Ų123.164%0.63674%0.737SS**  trans-72.6127.5-170.400000112.5G642A640-G642 PolarHBondContact O-N 3.4Å
641P43.4Very low40.3Very low140 Ų140123.1 Ų123.191%0.90975%0.746SS**THydrogen-bonded Turntrans-74.889-177.130-35.2000111.8
642G42.4Very low39.8Very low69 Ų69127.9 Ų127.971%0.71175%0.745SS**THydrogen-bonded Turntrans-170.9-6.8177.500000117.7A640 F644A640-G642 PolarHBondContact O-N 3.4Å; G642-F644 PolarHBondContact O-N 3.29Å
643S37.9Very low39.5Very low86 Ų86133.4 Ų133.460%0.60176%0.763SS**  trans-87.1100.1-177.748.10000112.7C645S643-C645 PolarHBondContact O-N 3.43Å
644F38Very low39.3Very low177 Ų177132 Ų13278%0.77675%0.754SS**  trans-81.595.6172.672.2-81.8000111.3G642 L646G642-F644 PolarHBondContact O-N 3.29Å; F644-L646 HydrophobicContact CD2-CG 4.32Å; F644-L646 PolarHBondContact O-N 3.18Å
645C41.5Very low38.8Very low88 Ų88131.4 Ų131.460%0.59576%0.76SS**  trans-84.6108.3171.2-72.80000110.5S643 C647S643-C645 PolarHBondContact O-N 3.43Å; C645-C647 VanDerWaalsContact C-N 3.29Å; C645-C647 PolarHBondContact O-N 2.9Å
646L39.6Very low38.3Very low139 Ų139132.5 Ų132.573%0.72876%0.762SS**  trans-74.381.9171.7-71.2175.4000110.5F644 L648F644-L646 HydrophobicContact CD2-CG 4.32Å; F644-L646 PolarHBondContact O-N 3.18Å; L646-L648 PolarHBondContact O-N 2.92Å
647C45.4Very low37.9Very low109 Ų109136.1 Ų136.174%0.73677%0.772SS**  trans-70.770179.3-65.10000112.6C645 N649C645-C647 VanDerWaalsContact C-N 3.29Å; C645-C647 PolarHBondContact O-N 2.9Å; C647-N649 PolarHBondContact O-N 3.43Å
648L32.6Very low37.8Very low151 Ų151138.9 Ų138.979%0.79176%0.764SS**  trans-74.659.9175.4-66.7176.4000112.3L646L646-L648 PolarHBondContact O-N 2.92Å
649N34.4Very low37.5Very low154 Ų154137.8 Ų137.882%0.82476%0.763SS**  trans-158.282.6170.1-94.8-30.9000111.3C647C647-N649 PolarHBondContact O-N 3.43Å
650R33.6Very low37.6Very low232 Ų232136.9 Ų136.988%0.87577%0.768SS**  trans-144.670.4161.7-155.4177.2-166.3-156.22.3110.6
651A33.5Very low37.3Very low89 Ų89139.7 Ų139.774%0.73678%0.78SS**  trans-91126.7173.800000110
652W30.8Very low37Very low225 Ų225136.5 Ų136.585%0.85277%0.773SS**  trans20.2103.1168.8-70.5-60.8000118.8
653N32.3Very low37Very low165 Ų165142.4 Ų142.488%0.88279%0.785SS**  trans-150.787137-92.7-28.1000107.9
654H33.8Very low36.9Very low147 Ų147141.8 Ų141.868%0.68179%0.792SS**  trans-126.596.7166-86.7-80.6000107
655A35.3Very low36.8Very low99 Ų99136.9 Ų136.982%0.81879%0.791SS**  trans-109.8109.515600000104.9T657A655-T657 PolarHBondContact O-N 3.27Å
656E32.5Very low36.7Very low174 Ų174138.8 Ų138.881%0.81380%0.802SS**  trans-82110.7-179.1-68.5167.2126.500109
657T35.3Very low37Very low135 Ų135141.2 Ų141.283%0.82881%0.81SS**  trans-109.4111.4153-55.90000106.4A655A655-T657 PolarHBondContact O-N 3.27Å
658L39.5Very low36.6Very low155 Ų155143.8 Ų143.881%0.81282%0.816SS**  trans-73.1138.7173.2-70.7152000109.4
659D41.9Very low36.9Very low153 Ų153140.2 Ų140.282%0.81882%0.815SS**  trans-150.6137.7140.7-101.8-41.2000109.5
660P42.8Very low36.9Very low110 Ų110144 Ų14471%0.71482%0.818SS**  trans-85.7156.8-172.234.1-35.6000113.2
661P36.9Very low37.1Very low136 Ų136140.2 Ų140.288%0.88382%0.815SS**  trans-84.1138.7-176.132.9-34.7000113.6
662G36.9Very low37.3Very low74 Ų74140.7 Ų140.776%0.76382%0.82SS**  trans114.3103.7145.700000117.5
663M41.8Very low37.7Very low193 Ų193135.4 Ų135.495%0.95181%0.814SS**  -150.5145.4117.9-111.9-58.6169.500110.4
664G36.1Very low38Very low73 Ų73133.4 Ų133.475%0.75381%0.808SS**  trans-108.6133.617800000111.1
665G36.5Very low38Very low73 Ų73133.6 Ų133.675%0.75381%0.813SS**  trans177.5106.6177.600000111.8
666P38.5Very low38.1Very low128 Ų128137.5 Ų137.583%0.83182%0.819SS**  trans-94.8122.7177.933.6-28.8000111.3
667Q45.6Very low38Very low190 Ų190134.2 Ų134.289%0.88882%0.815SS**  trans-157.8156.4156.4-126167.92300113.7
668D38.6Very low37.9Very low164 Ų164132.8 Ų132.888%0.87782%0.817SS**  trans-61.6150-175.6-57-91.5000114.5
669G38.5Very low37.8Very low75 Ų75130.5 Ų130.577%0.77381%0.814SS**  trans-175.8102.2169.600000111.3
670R34.8Very low37.5Very low233 Ų233128.7 Ų128.788%0.87981%0.811SS**  trans-70.1139.3165.7-49.2176.1-140.6-106.4-3.1108
671D37.6Very low37Very low153 Ų153128.2 Ų128.282%0.81881%0.81SS**  171.4124.4107.7-84.9-22.8000110.1
672A38Very low36.9Very low100 Ų100130.1 Ų130.183%0.82681%0.812SS**  trans-105.5143.5172.100000109.6
673P39.2Very low36.6Very low113 Ų113129.8 Ų129.873%0.73481%0.808SS**  trans-133.4127.5145.418.91.6000114.6
674V37.8Very low36.2Very low123 Ų123126 Ų12675%0.74580%0.801SS**  70.299.2130-175.30000118.9
675L33.9Very low36.1Very low152 Ų152130.5 Ų130.580%0.79681%0.807SS**  40.3126.6124.2-52.5173.4000119.9
676L37.3Very low36Very low181 Ų181135.3 Ų135.395%0.94881%0.81SS**  -157.5145105.2-104.8164.9000110.9
677S30.8Very low35.9Very low105 Ų105136.9 Ų136.973%0.73481%0.81SS**  trans-112.9150.6-169.3-178.80000112.6
678A33.4Very low35.4Very low104 Ų104135.5 Ų135.586%0.8680%0.804SS**  trans-159.258.7163.300000112.9
679S36.8Very low35.2Very low107 Ų107134.6 Ų134.675%0.74880%0.799SS**  trans-96.3150.6156.6-670000110
680P35.6Very low35.1Very low116 Ų116139.1 Ų139.175%0.75380%0.804SS**  trans-115119.4138.2-6.126.1000111.9
681S32Very low35Very low99 Ų99133.7 Ų133.769%0.69280%0.798SS**  32.1124.3124.8580000118.3
682L34.2Very low35Very low177 Ų177132.5 Ų132.593%0.92780%0.796SS**  cis57.682.820.9-135.4176.1000112.6
683G32.1Very low34.9Very low67 Ų67138.2 Ų138.269%0.69180%0.796SS**  trans-130117174.700000111.3
684S33.3Very low34.5Very low114 Ų114143.3 Ų143.380%0.79780%0.802SS**  trans27.5108.7153.9-49.60000119.1
685L34Very low34.9Very low167 Ų167143.5 Ų143.587%0.87480%0.798SS**  75.791.765.7-171.6128.8000113.6
686E33.4Very low34.9Very low173 Ų173142.6 Ų142.681%0.80880%0.802SS**  trans-147.3139.3133.6-143.6-177.8166.900109.6
687L36.3Very low35.2Very low161 Ų161144 Ų14484%0.84379%0.794SS**  trans-125.190-167.7174.3108000110.2
688Q35.9Very low35.3Very low161 Ų161142 Ų14275%0.75279%0.79SS**  trans-140.2163.6170.4-66.4-16464.300112.2
689D34.7Very low35.3Very low145 Ų145145.3 Ų145.378%0.77579%0.79SS**  trans6452.5177.3-67.7-2.5000118.3T691D689-T691 PolarHBondContact O-N 2.92Å
690L35.7Very low35.2Very low170 Ų170145.7 Ų145.789%0.8979%0.791SS**  trans-5581143-93.1163.8000111.4
691T33.2Very low35.5Very low120 Ų120146.3 Ų146.374%0.73679%0.787SS**  trans-168.697.3156.312.50000114.2D689D689-T691 PolarHBondContact O-N 2.92Å
692T38.3Very low35.8Very low128 Ų128152.3 Ų152.379%0.78580%0.796SS**  trans-169.795.3133.6-79.20000112.7
693R34.5Very low36.5Very low220 Ų220148.2 Ų148.283%0.8378%0.775SS**  trans36.7114.5135-51.2178.8-170.2-147.6-0.6120
694Y31.2Very low37.3Very low219 Ų219148.7 Ų148.786%0.85976%0.761SS**  trans37.8117.9131.9-67.6-89.7000120.1
695L45.8Very low38.3Very low127 Ų127148.1 Ų148.167%0.66576%0.755SS**  177.3104.8126.1-100.9159.8000114.3R697L695-R697 HydrophobicContact CB-CB 4.33Å; L695-R697 HydrophobicContact CD2-CB 4.31Å; L695-R697 HydrophobicContact CD2-CG 4.13Å; L695-R697 PolarHBondContact O-N 3.27Å
696P35.4Very low39.3Very low133 Ų133147.3 Ų147.386%0.86474%0.744SS**  trans-76.488.1163.530.9-32.4000109.9G698P696-G698 PolarHBondContact O-N 2.94Å
697R42.3Very low40.2Very low211 Ų211144.3 Ų144.380%0.79673%0.73SS**  trans-106.468.6-164.2-148.2178.6-156.4-149.37.9115.2L695L695-R697 HydrophobicContact CB-CB 4.33Å; L695-R697 HydrophobicContact CD2-CB 4.31Å; L695-R697 HydrophobicContact CD2-CG 4.13Å; L695-R697 PolarHBondContact O-N 3.27Å
698G32.9Very low41Very low62 Ų62139.2 Ų139.264%0.63971%0.711SS**  trans64104.1158.100000116.6P696 C700P696-G698 PolarHBondContact O-N 2.94Å; G698-C700 PolarHBondContact O-N 3.46Å
699M34.4Very low41.9Very low174 Ų174139.4 Ų139.486%0.85771%0.712SS**  trans-62.786.8179.1-61.1-162.9-54.200113.4I701M699-I701 HydrophobicContact CB-CG1 4.35Å; M699-I701 PolarHBondContact O-N 3.45Å
700C33.3Very low42.7Very low115 Ų115140.5 Ų140.578%0.77771%0.712SS**  trans-85.688.4160.6-63.70000107.3G698 Y702G698-C700 PolarHBondContact O-N 3.46Å; C700-Y702 PolarHBondContact O-N 2.91Å
701I42.3Very low43.4Very low130 Ų130136.1 Ų136.167%0.66769%0.69SS**  trans-68.686.1178.8-56.3178.1000109M699 L703M699-I701 HydrophobicContact CB-CG1 4.35Å; M699-I701 PolarHBondContact O-N 3.45Å; I701-L703 HydrophobicContact CG2-CD1 4.17Å; I701-L703 HydrophobicContact CG2-CG 3.92Å; I701-L703 PolarHBondContact O-N 3.43Å
702Y38.8Very low44.1Very low225 Ų225133.2 Ų133.288%0.88268%0.683SS**  trans-86.484.1163-113.8-84.6000107.1C700C700-Y702 PolarHBondContact O-N 2.91Å
703L49.3Very low44.7Very low91 Ų91132.7 Ų132.748%0.47668%0.68SS.*  trans-56.3137.3165.4-81.6150.8000109I701 E707 L711I701-L703 HydrophobicContact CG2-CD1 4.17Å; I701-L703 HydrophobicContact CG2-CG 3.92Å; I701-L703 PolarHBondContact O-N 3.43Å; L703-E707 HydrophobicContact CD2-CB 4.41Å; L703-L711 HydrophobicContact CD2-CD1 4.38Å
704D47.5Very low45.5Very low77 Ų77124.2 Ų124.241%0.41266%0.655SS.*  trans-64.6134.3170.2-170.1-53.9000108K706 E707 A708D704-K706 PolarHBondContact O-N 2.89Å; D704-K706 WeakPolarHBondContact OD1-CB 3.46Å; D704-K706 WeakPolarHBondContact OD1-CG 3.44Å; D704-K706 PolarHBondContact OD1-N 3.46Å; D704-E707 HydrophobicContact CB-CB 4.5Å; D704-E707 HydrophobicContact CB-CG 4.08Å; D704-E707 PolarHBondContact N-OE2 3.45Å; D704-E707 PolarHBondContact O-N 2.99Å; D704-A708 PolarHBondContact O-N 3.39Å
705P55.7Low46.5Very low101 Ų101117.2 Ų117.266%0.65664%0.637SS**Hα-helixtrans-53.4-24.3174.821-33.5000113.9
706K54.9Low47.3Very low151 Ų151114.2 Ų114.266%0.65763%0.627SS**Hα-helixtrans-71.2-39.6173-64.8176.7177.1179.70113D704 A708 E709 H710D704-K706 PolarHBondContact O-N 2.89Å; D704-K706 WeakPolarHBondContact OD1-CB 3.46Å; D704-K706 WeakPolarHBondContact OD1-CG 3.44Å; D704-K706 PolarHBondContact OD1-N 3.46Å; K706-A708 VanDerWaalsContact C-N 3.28Å; K706-A708 PolarHBondContact O-N 2.8Å; K706-E709 PolarHBondContact O-N 3.3Å; K706-H710 PolarHBondContact O-CD2 3.31Å; K706-H710 VanDerWaalsContact O-CD2 3.29Å
707E51.7Low49Very low109 Ų109113.8 Ų113.851%0.50962%0.617SS.*Hα-helixtrans-66-35.2175.8-66.7173156.600111.1L703 D704 E709 H710 L711L703-E707 HydrophobicContact CD2-CB 4.41Å; D704-E707 HydrophobicContact CB-CB 4.5Å; D704-E707 HydrophobicContact CB-CG 4.08Å; D704-E707 PolarHBondContact N-OE2 3.45Å; D704-E707 PolarHBondContact O-N 2.99Å; E707-E709 VanDerWaalsContact C-N 3.26Å; E707-E709 PolarHBondContact O-N 2.94Å; E707-H710 PolarHBondContact O-N 3.31Å; E707-L711 WeakPolarHBondContact O-CG 3.2Å; E707-L711 PolarHBondContact O-N 3.43Å
708A53.7Low50.5Low55 Ų55108.9 Ų108.946%0.45560%0.603SS.*Hα-helixtrans-62.9-28.2176.900000113.7D704 K706D704-A708 PolarHBondContact O-N 3.39Å; K706-A708 VanDerWaalsContact C-N 3.28Å; K706-A708 PolarHBondContact O-N 2.8Å
709E53.9Low52.8Low165 Ų165111.5 Ų111.577%0.77160%0.602SS**Hα-helixtrans-77.1-29.4178.3-69.8-176163.700112.6K706 E707 L711K706-E709 PolarHBondContact O-N 3.3Å; E707-E709 VanDerWaalsContact C-N 3.26Å; E707-E709 PolarHBondContact O-N 2.94Å; E709-L711 VanDerWaalsContact C-N 3.3Å; E709-L711 PolarHBondContact O-N 3.18Å
710H52.8Low55.1Low167 Ų167111.9 Ų111.977%0.77359%0.593SS**Hα-helixtrans-75.2-17.6173.2-67.8-67.3000113.4K706 E707 G712K706-H710 PolarHBondContact O-CD2 3.31Å; K706-H710 VanDerWaalsContact O-CD2 3.29Å; E707-H710 PolarHBondContact O-N 3.31Å; H710-G712 VanDerWaalsContact C-N 3.28Å; H710-G712 PolarHBondContact O-N 3.39Å
711L49.3Very low57.6Low79 Ų79111.6 Ų111.641%0.41458%0.581SS.*THydrogen-bonded Turntrans-8421.8-176.4-78.4171.2000115L703 E707 E709 T713 S714L703-L711 HydrophobicContact CD2-CD1 4.38Å; E707-L711 WeakPolarHBondContact O-CG 3.2Å; E707-L711 PolarHBondContact O-N 3.43Å; E709-L711 VanDerWaalsContact C-N 3.3Å; E709-L711 PolarHBondContact O-N 3.18Å; L711-T713 PolarHBondContact O-N 2.97Å; L711-T713 VanDerWaalsContact O-N 3.09Å; L711-S714 WeakPolarHBondContact O-CB 3.21Å; L711-S714 PolarHBondContact O-N 3.22Å; L711-S714 PolarHBondContact O-OG 3.28Å
712G48.3Very low59.9Low58 Ų58110.1 Ų110.160%0.59857%0.569SS**G310 helixtrans-54.2-31.8-175.300000115.7H710 S715H710-G712 VanDerWaalsContact C-N 3.28Å; H710-G712 PolarHBondContact O-N 3.39Å; G712-S715 PolarHBondContact O-OG 3.43Å; G712-S715 VanDerWaalsContact O-OG 3.13Å
713T50.5Low62.4Low117 Ų117104.9 Ų104.972%0.71855%0.553SS**G310 helixtrans-76.2-25176.346.50000114.1L711 S715 S716L711-T713 PolarHBondContact O-N 2.97Å; L711-T713 VanDerWaalsContact O-N 3.09Å; T713-S715 PolarHBondContact O-N 3.49Å; T713-S716 PolarHBondContact O-N 2.87Å; T713-S716 PolarHBondContact O-OG 3.31Å
714S51.6Low64.3Low43 Ų43103.2 Ų103.230%0.30155%0.552SS.*G310 helixtrans-68.5-15.6-174.873.80000114.5L711 S716 L717 H718L711-S714 WeakPolarHBondContact O-CB 3.21Å; L711-S714 PolarHBondContact O-N 3.22Å; L711-S714 PolarHBondContact O-OG 3.28Å; S714-S716 PolarHBondContact O-N 3.32Å; S714-S716 VanDerWaalsContact O-N 3.15Å; S714-L717 PolarHBondContact O-N 3.46Å; S714-H718 PolarHBondContact O-N 3.19Å
715S52.1Low66.6Low71 Ų71104.8 Ų104.850%0.49756%0.557SS.*Hα-helixtrans-52.1-34.4173.856.30000112.6G712 T713 L719G712-S715 PolarHBondContact O-OG 3.43Å; G712-S715 VanDerWaalsContact O-OG 3.13Å; T713-S715 PolarHBondContact O-N 3.49Å; S715-L719 WeakPolarHBondContact O-CG 3.12Å; S715-L719 PolarHBondContact O-N 3.3Å
716S62.3Low68.5Low65 Ų65105.6 Ų105.646%0.45556%0.555SS.*Hα-helixtrans-60.9-47.7173.561.60000113.3T713 S714 L719 R720T713-S716 PolarHBondContact O-N 2.87Å; T713-S716 PolarHBondContact O-OG 3.31Å; S714-S716 PolarHBondContact O-N 3.32Å; S714-S716 VanDerWaalsContact O-N 3.15Å; S716-L719 PolarHBondContact O-N 2.98Å; S716-R720 WeakPolarHBondContact O-CG 3.47Å; S716-R720 PolarHBondContact O-N 3.42Å
717L71.1Confident70.5Confident123 Ų123104.1 Ų104.164%0.64455%0.55SS**Hα-helixtrans-66.4-40.3-178.3-63.9177.9000111.8S714 L719 R720 H721S714-L717 PolarHBondContact O-N 3.46Å; L717-L719 VanDerWaalsContact C-N 3.3Å; L717-L719 PolarHBondContact O-N 2.8Å; L717-R720 PolarHBondContact O-N 2.97Å; L717-H721 WeakPolarHBondContact O-CB 3.44Å; L717-H721 PolarHBondContact O-N 3.48Å
718H74.4Confident72.5Confident108 Ų108101.4 Ų101.450%0.555%0.547SS..Hα-helixtrans-65.4-34.1177.3-170.664.7000112.5S714 K722S714-H718 PolarHBondContact O-N 3.19Å; H718-K722 VanDerWaalsContact NE2-CE 3.3Å; H718-K722 WeakPolarHBondContact NE2-CE 3.48Å; H718-K722 PolarHBondContact NE2-NZ 3.12Å; H718-K722 WeakPolarHBondContact O-CG 3.48Å; H718-K722 PolarHBondContact O-N 3.2Å
719L80.2Confident74.5Confident118 Ų118104 Ų10462%0.61855%0.553SS**Hα-helixtrans-71.3-45172.7-70.1170.9000111.7S715 S716 L717 H721 K722 Q723S715-L719 WeakPolarHBondContact O-CG 3.12Å; S715-L719 PolarHBondContact O-N 3.3Å; S716-L719 PolarHBondContact O-N 2.98Å; L717-L719 VanDerWaalsContact C-N 3.3Å; L717-L719 PolarHBondContact O-N 2.8Å; L719-H721 PolarHBondContact O-N 3.01Å; L719-K722 PolarHBondContact O-N 3.22Å; L719-Q723 WeakPolarHBondContact O-CB 3.29Å; L719-Q723 PolarHBondContact O-N 3.32Å
720R82.6Confident76.6Confident181 Ų181101.2 Ų101.268%0.68354%0.539SS*.Hα-helixtrans-59.4-44.7175.8-73.1-68.8-169.2173.14.4112.2S716 L717 Q723 A724S716-R720 WeakPolarHBondContact O-CG 3.47Å; S716-R720 PolarHBondContact O-N 3.42Å; L717-R720 PolarHBondContact O-N 2.97Å; R720-Q723 PolarHBondContact O-N 2.97Å; R720-A724 WeakPolarHBondContact O-CB 3.26Å; R720-A724 PolarHBondContact O-N 2.97Å
721H87.2Confident78.6Confident110 Ų11096.7 Ų96.751%0.50952%0.524SS..Hα-helixtrans-61.9-44.4176.7179.476.6000112.1L717 L719 Q723 A724 Q725L717-H721 WeakPolarHBondContact O-CB 3.44Å; L717-H721 PolarHBondContact O-N 3.48Å; L719-H721 PolarHBondContact O-N 3.01Å; H721-Q723 VanDerWaalsContact C-N 3.35Å; H721-Q723 PolarHBondContact O-N 3.29Å; H721-A724 PolarHBondContact O-N 2.93Å; H721-Q725 WeakPolarHBondContact O-CB 3.5Å; H721-Q725 PolarHBondContact O-N 3.21Å
722K89.1Confident80.8Confident98 Ų9896.7 Ų96.743%0.42653%0.527SS..Hα-helixtrans-63.3-38.2174.6-82.1173.9165.3168.40112.9H718 L719 Q725 L726H718-K722 VanDerWaalsContact NE2-CE 3.3Å; H718-K722 WeakPolarHBondContact NE2-CE 3.48Å; H718-K722 PolarHBondContact NE2-NZ 3.12Å; H718-K722 WeakPolarHBondContact O-CG 3.48Å; H718-K722 PolarHBondContact O-N 3.2Å; L719-K722 PolarHBondContact O-N 3.22Å; K722-Q725 PolarHBondContact O-N 3.04Å; K722-L726 WeakPolarHBondContact O-CG 3.39Å; K722-L726 PolarHBondContact O-N 2.92Å
723Q92.5Very high83.1Confident116 Ų11696.6 Ų96.654%0.54252%0.521SS..Hα-helixtrans-67-43.3176.3-171171.65.100111.5L719 R720 H721 Q725 L726 Q727L719-Q723 WeakPolarHBondContact O-CB 3.29Å; L719-Q723 PolarHBondContact O-N 3.32Å; R720-Q723 PolarHBondContact O-N 2.97Å; H721-Q723 VanDerWaalsContact C-N 3.35Å; H721-Q723 PolarHBondContact O-N 3.29Å; Q723-Q725 VanDerWaalsContact C-N 3.34Å; Q723-Q725 PolarHBondContact O-N 3.18Å; Q723-L726 PolarHBondContact O-N 3.15Å; Q723-Q727 WeakPolarHBondContact O-CB 3.34Å; Q723-Q727 PolarHBondContact O-N 3.22Å
724A89.9Confident85.3Confident55 Ų5596.6 Ų96.646%0.45551%0.511SS..Hα-helixtrans-61.9-40173.500000112.2R720 H721 Q727 A728R720-A724 WeakPolarHBondContact O-CB 3.26Å; R720-A724 PolarHBondContact O-N 2.97Å; H721-A724 PolarHBondContact O-N 2.93Å; A724-Q727 PolarHBondContact O-N 3.25Å; A724-A728 WeakPolarHBondContact O-CB 3.35Å; A724-A728 PolarHBondContact O-N 2.84Å
725Q94.8Very high87.4Confident111 Ų11198.2 Ų98.252%0.51952%0.519SS..Hα-helixtrans-63.8-42.1175.2-170.7-179.424.100112.2H721 K722 Q723 A728 L729H721-Q725 WeakPolarHBondContact O-CB 3.5Å; H721-Q725 PolarHBondContact O-N 3.21Å; K722-Q725 PolarHBondContact O-N 3.04Å; Q723-Q725 VanDerWaalsContact C-N 3.34Å; Q723-Q725 PolarHBondContact O-N 3.18Å; Q725-A728 PolarHBondContact O-N 3.43Å; Q725-L729 WeakPolarHBondContact O-CG 3.39Å; Q725-L729 PolarHBondContact O-N 2.94Å; Q725-L729 VanDerWaalsContact O-N 3.11Å
726L95.6Very high89.6Confident117 Ų11799.5 Ų99.561%0.61352%0.52SS*.Hα-helixtrans-65.1-42.9174.7-72.9169.9000111.6K722 Q723 A728 L729 E730K722-L726 WeakPolarHBondContact O-CG 3.39Å; K722-L726 PolarHBondContact O-N 2.92Å; Q723-L726 PolarHBondContact O-N 3.15Å; L726-A728 PolarHBondContact O-N 3.29Å; L726-L729 PolarHBondContact O-N 2.65Å; L726-E730 WeakPolarHBondContact O-CB 3.23Å; L726-E730 PolarHBondContact O-N 2.82Å
727Q96.2Very high91.3Very high120 Ų120102.6 Ų102.656%0.56153%0.525SS*.Hα-helixtrans-62.8-39.8177-174175.2-10.600111.9Q723 A724 E730 T731Q723-Q727 WeakPolarHBondContact O-CB 3.34Å; Q723-Q727 PolarHBondContact O-N 3.22Å; A724-Q727 PolarHBondContact O-N 3.25Å; Q727-E730 PolarHBondContact O-N 3.06Å; Q727-T731 WeakPolarHBondContact O-CG2 3.25Å; Q727-T731 PolarHBondContact O-N 2.89Å; Q727-T731 PolarHBondContact O-OG1 2.91Å
728A93.4Very high92.5Very high53 Ų53102.6 Ų102.644%0.43852%0.522SS..Hα-helixtrans-66-35.4174.900000113A724 Q725 L726 T731 T732A724-A728 WeakPolarHBondContact O-CB 3.35Å; A724-A728 PolarHBondContact O-N 2.84Å; Q725-A728 PolarHBondContact O-N 3.43Å; L726-A728 PolarHBondContact O-N 3.29Å; A728-T731 PolarHBondContact O-OG1 3.39Å; A728-T731 VanDerWaalsContact O-OG1 3.13Å; A728-T732 WeakPolarHBondContact O-CB 3.32Å; A728-T732 PolarHBondContact O-N 2.97Å; A728-T732 VanDerWaalsContact O-N 3.11Å; A728-T732 PolarHBondContact O-OG1 3.2Å
729L97.6Very high93.7Very high109 Ų109105.1 Ų105.157%0.57153%0.527SS*.Hα-helixtrans-69.8-38.9172.4-70.6169.2000111.5Q725 L726 T732 A733Q725-L729 WeakPolarHBondContact O-CG 3.39Å; Q725-L729 PolarHBondContact O-N 2.94Å; Q725-L729 VanDerWaalsContact O-N 3.11Å; L726-L729 PolarHBondContact O-N 2.65Å; L729-T732 PolarHBondContact O-N 2.89Å; L729-A733 WeakPolarHBondContact O-CB 3.25Å; L729-A733 PolarHBondContact O-N 2.84Å
730E96.4Very high94.5Very high106 Ų106103.7 Ų103.750%0.49552%0.523SS..Hα-helixtrans-66.9-44.4177.6-165.8-167.5142.800112.3L726 Q727 A733 K734L726-E730 WeakPolarHBondContact O-CB 3.23Å; L726-E730 PolarHBondContact O-N 2.82Å; Q727-E730 PolarHBondContact O-N 3.06Å; E730-A733 PolarHBondContact O-N 3.35Å; E730-K734 WeakPolarHBondContact O-CG 3.44Å; E730-K734 PolarHBondContact O-N 2.74Å; E730-K734 WeakPolarHBondContact OE1-CE 3.22Å; E730-K734 IonicContact OE1-NZ 3.73Å; E730-K734 PolarHBondContact OE1-NZ 2.97Å
731T94.9Very high95.1Very high72 Ų7298.5 Ų98.544%0.44251%0.508SS..Hα-helixtrans-64.8-41.9175.153.50000111.4Q727 A728 A733 K734 V735Q727-T731 WeakPolarHBondContact O-CG2 3.25Å; Q727-T731 PolarHBondContact O-N 2.89Å; Q727-T731 PolarHBondContact O-OG1 2.91Å; A728-T731 PolarHBondContact O-OG1 3.39Å; A728-T731 VanDerWaalsContact O-OG1 3.13Å; T731-A733 VanDerWaalsContact C-N 3.32Å; T731-A733 PolarHBondContact O-N 3.43Å; T731-K734 PolarHBondContact O-N 2.96Å; T731-V735 WeakPolarHBondContact O-CG2 3.33Å; T731-V735 PolarHBondContact O-N 3.29Å
732T96Very high95.5Very high79 Ų7996.5 Ų96.549%0.48551%0.507SS..Hα-helixtrans-59.4-43.1173.9-57.20000111.4A728 L729 V735 L736A728-T732 WeakPolarHBondContact O-CB 3.32Å; A728-T732 PolarHBondContact O-N 2.97Å; A728-T732 VanDerWaalsContact O-N 3.11Å; A728-T732 PolarHBondContact O-OG1 3.2Å; L729-T732 PolarHBondContact O-N 2.89Å; T732-V735 PolarHBondContact O-N 2.81Å; T732-L736 HydrophobicContact CG2-CD1 4.13Å; T732-L736 WeakPolarHBondContact O-CB 3.43Å; T732-L736 WeakPolarHBondContact O-CG 3.43Å; T732-L736 PolarHBondContact O-N 3.04Å
733A96.6Very high95.8Very high57 Ų5796.9 Ų96.947%0.47151%0.513SS..Hα-helixtrans-64.6-38.7176.400000112.7L729 E730 T731 L736 K737L729-A733 WeakPolarHBondContact O-CB 3.25Å; L729-A733 PolarHBondContact O-N 2.84Å; E730-A733 PolarHBondContact O-N 3.35Å; T731-A733 VanDerWaalsContact C-N 3.32Å; T731-A733 PolarHBondContact O-N 3.43Å; A733-L736 PolarHBondContact O-N 2.81Å; A733-K737 WeakPolarHBondContact O-CB 3.4Å; A733-K737 PolarHBondContact O-N 2.82Å
734K96.5Very high95.9Very high116 Ų11694.3 Ų94.350%0.50451%0.505SS..Hα-helixtrans-64.2-45.6174.7-74.3172.4-178.5172.60112.1E730 T731 K737 Q738E730-K734 WeakPolarHBondContact O-CG 3.44Å; E730-K734 PolarHBondContact O-N 2.74Å; E730-K734 WeakPolarHBondContact OE1-CE 3.22Å; E730-K734 IonicContact OE1-NZ 3.73Å; E730-K734 PolarHBondContact OE1-NZ 2.97Å; T731-K734 PolarHBondContact O-N 2.96Å; K734-K737 WeakPolarHBondContact O-CB 3.47Å; K734-K737 PolarHBondContact O-N 3.29Å; K734-Q738 WeakPolarHBondContact O-CG 3.33Å; K734-Q738 PolarHBondContact O-N 3.34Å
735V96.8Very high96Very high78 Ų7894.5 Ų94.547%0.47351%0.507SS..Hα-helixtrans-63.5-41.8176.3172.20000111.3T731 T732 Q738 R739T731-V735 WeakPolarHBondContact O-CG2 3.33Å; T731-V735 PolarHBondContact O-N 3.29Å; T732-V735 PolarHBondContact O-N 2.81Å; V735-Q738 PolarHBondContact O-N 3.03Å; V735-R739 WeakPolarHBondContact O-CG 3.32Å; V735-R739 PolarHBondContact O-N 3.28Å
736L98Very high95.9Very high98 Ų9896.8 Ų96.851%0.51352%0.515SS..Hα-helixtrans-62.9-41.8174.2-73.3172.2000111.7T732 A733 R739 V740T732-L736 HydrophobicContact CG2-CD1 4.13Å; T732-L736 WeakPolarHBondContact O-CB 3.43Å; T732-L736 WeakPolarHBondContact O-CG 3.43Å; T732-L736 PolarHBondContact O-N 3.04Å; A733-L736 PolarHBondContact O-N 2.81Å; L736-R739 PolarHBondContact O-N 2.98Å; L736-V740 WeakPolarHBondContact O-CG2 3.37Å; L736-V740 PolarHBondContact O-N 3.34Å
737K97.3Very high95.7Very high130 Ų13097.2 Ų97.257%0.56552%0.517SS*.Hα-helixtrans-59.3-51.7173.9-166.9-164.4178.9-92.90111.1A733 K734 R739 V740 D741A733-K737 WeakPolarHBondContact O-CB 3.4Å; A733-K737 PolarHBondContact O-N 2.82Å; K734-K737 WeakPolarHBondContact O-CB 3.47Å; K734-K737 PolarHBondContact O-N 3.29Å; K737-R739 VanDerWaalsContact C-N 3.26Å; K737-R739 PolarHBondContact O-N 3.25Å; K737-V740 PolarHBondContact O-N 3.16Å; K737-D741 IonicContact NZ-OD1 3.33Å; K737-D741 IonicContact NZ-OD2 3.32Å; K737-D741 PolarHBondContact NZ-OD2 2.82Å; K737-D741 WeakPolarHBondContact O-CB 3.39Å; K737-D741 PolarHBondContact O-N 3.3Å
738Q97.3Very high95.2Very high122 Ų12297.4 Ų97.457%0.5752%0.518SS*.Hα-helixtrans-57.2-38.1178.8-73.9175-53.500112.4K734 V735 S742K734-Q738 WeakPolarHBondContact O-CG 3.33Å; K734-Q738 PolarHBondContact O-N 3.34Å; V735-Q738 PolarHBondContact O-N 3.03Å; Q738-S742 VanDerWaalsContact O-CB 3.24Å; Q738-S742 WeakPolarHBondContact O-CB 3.41Å; Q738-S742 PolarHBondContact O-N 3.11Å; Q738-S742 PolarHBondContact O-OG 2.98Å
739R97.9Very high94.3Very high162 Ų16296.8 Ų96.861%0.61152%0.517SS*.Hα-helixtrans-67.8-40.6174.6-72-179.468.4178.92.1112.7V735 L736 K737 L743V735-R739 WeakPolarHBondContact O-CG 3.32Å; V735-R739 PolarHBondContact O-N 3.28Å; L736-R739 PolarHBondContact O-N 2.98Å; K737-R739 VanDerWaalsContact C-N 3.26Å; K737-R739 PolarHBondContact O-N 3.25Å; R739-L743 WeakPolarHBondContact O-CB 3.43Å; R739-L743 VanDerWaalsContact O-CG 3.25Å; R739-L743 WeakPolarHBondContact O-CG 3.23Å; R739-L743 PolarHBondContact O-N 3.1Å
740V97.5Very high92.6Very high87 Ų8794.1 Ų94.153%0.52751%0.511SS..Hα-helixtrans-65.5-47.2174.9170.30000111L736 K737 S742 L743 T744L736-V740 WeakPolarHBondContact O-CG2 3.37Å; L736-V740 PolarHBondContact O-N 3.34Å; K737-V740 PolarHBondContact O-N 3.16Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-S742 PolarHBondContact O-N 3.49Å; V740-L743 PolarHBondContact O-N 2.92Å; V740-T744 WeakPolarHBondContact O-CB 3.43Å; V740-T744 PolarHBondContact O-N 3.27Å; V740-T744 PolarHBondContact O-OG1 3.06Å
741D96.2Very high90.8Very high72 Ų7296 Ų9639%0.38552%0.519SS..Hα-helixtrans-59.3-45.5177.6-62.8-15.8000110.3K737 T744 A745K737-D741 IonicContact NZ-OD1 3.33Å; K737-D741 IonicContact NZ-OD2 3.32Å; K737-D741 PolarHBondContact NZ-OD2 2.82Å; K737-D741 WeakPolarHBondContact O-CB 3.39Å; K737-D741 PolarHBondContact O-N 3.3Å; D741-T744 PolarHBondContact O-N 3.05Å; D741-A745 WeakPolarHBondContact O-CB 3.46Å; D741-A745 PolarHBondContact O-N 2.85Å
742S95Very high88.9Confident69 Ų6995.7 Ų95.748%0.48353%0.525SS..Hα-helixtrans-65.3-38.2177.8-58.50000113.6Q738 V740 K746Q738-S742 VanDerWaalsContact O-CB 3.24Å; Q738-S742 WeakPolarHBondContact O-CB 3.41Å; Q738-S742 PolarHBondContact O-N 3.11Å; Q738-S742 PolarHBondContact O-OG 2.98Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-S742 PolarHBondContact O-N 3.49Å; S742-K746 WeakPolarHBondContact O-CG 3.35Å; S742-K746 PolarHBondContact O-N 3.09Å; S742-K746 VanDerWaalsContact O-N 3.12Å
743L95.4Very high87Confident106 Ų10698.6 Ų98.656%0.55554%0.537SS*.Hα-helixtrans-71.9-37175.7-73.8169.3000111.4R739 V740 K746 L747R739-L743 WeakPolarHBondContact O-CB 3.43Å; R739-L743 VanDerWaalsContact O-CG 3.25Å; R739-L743 WeakPolarHBondContact O-CG 3.23Å; R739-L743 PolarHBondContact O-N 3.1Å; V740-L743 PolarHBondContact O-N 2.92Å; L743-K746 PolarHBondContact O-N 3.14Å; L743-L747 WeakPolarHBondContact O-CG 3.49Å; L743-L747 PolarHBondContact O-N 3.01Å
744T94.2Very high85Confident61 Ų61102.9 Ų102.937%0.37455%0.551SS.*Hα-helixtrans-63.4-45.9175.6-53.50000110.6V740 D741 K746 L747 Q748V740-T744 WeakPolarHBondContact O-CB 3.43Å; V740-T744 PolarHBondContact O-N 3.27Å; V740-T744 PolarHBondContact O-OG1 3.06Å; D741-T744 PolarHBondContact O-N 3.05Å; T744-K746 VanDerWaalsContact C-N 3.32Å; T744-K746 PolarHBondContact O-N 3.16Å; T744-L747 PolarHBondContact O-N 3.04Å; T744-Q748 WeakPolarHBondContact O-CG 3.4Å; T744-Q748 PolarHBondContact O-N 2.99Å
745A92.2Very high82.9Confident59 Ų59102.7 Ų102.749%0.48856%0.56SS.*Hα-helixtrans-61.6-37174.600000112.8D741 G749D741-A745 WeakPolarHBondContact O-CB 3.46Å; D741-A745 PolarHBondContact O-N 2.85Å; A745-G749 PolarHBondContact O-N 2.87Å
746K93Very high80.5Confident159 Ų159105.3 Ų105.369%0.69158%0.576SS**Hα-helixtrans-69.2-33.8175.1-77.5-175.4177.2-166.60113.6S742 L743 T744 A750S742-K746 WeakPolarHBondContact O-CG 3.35Å; S742-K746 PolarHBondContact O-N 3.09Å; S742-K746 VanDerWaalsContact O-N 3.12Å; L743-K746 PolarHBondContact O-N 3.14Å; T744-K746 VanDerWaalsContact C-N 3.32Å; T744-K746 PolarHBondContact O-N 3.16Å; K746-A750 PolarHBondContact O-N 2.83Å
747L90.5Very high77.8Confident126 Ų126111.9 Ų111.966%0.6659%0.594SS**Hα-helixtrans-70-49.2174.3-70.2168000110.9L743 T744 G749 A750 E751L743-L747 WeakPolarHBondContact O-CG 3.49Å; L743-L747 PolarHBondContact O-N 3.01Å; T744-L747 PolarHBondContact O-N 3.04Å; L747-G749 VanDerWaalsContact C-N 3.31Å; L747-G749 PolarHBondContact O-N 3.36Å; L747-A750 PolarHBondContact O-N 2.88Å; L747-A750 VanDerWaalsContact O-N 3.16Å; L747-E751 PolarHBondContact O-N 3.07Å; L747-E751 VanDerWaalsContact O-N 3.09Å
748Q87.1Confident74.9Confident124 Ų124112.3 Ų112.358%0.57960%0.603SS**Hα-helixtrans-63.8-35177.8-69.7175.4-26.500112.6T744 A750 A752T744-Q748 WeakPolarHBondContact O-CG 3.4Å; T744-Q748 PolarHBondContact O-N 2.99Å; Q748-A750 VanDerWaalsContact C-N 3.35Å; Q748-A752 PolarHBondContact O-N 2.77Å
749G73.7Confident72.4Confident41 Ų41112.4 Ų112.442%0.42361%0.614SS.*Hα-helixtrans-71.4-24.6175.200000114.3A745 L747A745-G749 PolarHBondContact O-N 2.87Å; L747-G749 VanDerWaalsContact C-N 3.31Å; L747-G749 PolarHBondContact O-N 3.36Å
750A61.8Low69.8Low52 Ų52108.4 Ų108.443%0.4362%0.615SS.*Hα-helixtrans-77.5-44.4172.100000111.2K746 L747 Q748 A752 L753K746-A750 PolarHBondContact O-N 2.83Å; L747-A750 PolarHBondContact O-N 2.88Å; L747-A750 VanDerWaalsContact O-N 3.16Å; Q748-A750 VanDerWaalsContact C-N 3.35Å; A750-A752 PolarHBondContact O-N 3.35Å; A750-A752 VanDerWaalsContact O-N 3.12Å; A750-L753 PolarHBondContact O-N 2.88Å
751E58.3Low67.4Low145 Ų145111.2 Ų111.268%0.67863%0.632SS**Hα-helixtrans-58.3-25.6178.3-166169.9-160.800113L747L747-E751 PolarHBondContact O-N 3.07Å; L747-E751 VanDerWaalsContact O-N 3.09Å
752A54.9Low64.5Low67 Ų67111.3 Ų111.355%0.55465%0.65SS**THydrogen-bonded Turntrans-76.1-15.9175.100000115.2Q748 A750Q748-A752 PolarHBondContact O-N 2.77Å; A750-A752 PolarHBondContact O-N 3.35Å; A750-A752 VanDerWaalsContact O-N 3.12Å
753L55.9Low62.1Low140 Ų140115.4 Ų115.473%0.73367%0.666SS**THydrogen-bonded Turntrans-91.5-25.4-177.2-82.8163000113.8A750 T755A750-L753 PolarHBondContact O-N 2.88Å; L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 2.8Å
754D56Low59.4Low146 Ų146117.7 Ų117.778%0.78168%0.678SS**THydrogen-bonded Turntrans-84.96.4-174.2-73.3-34.6000114.7
755T52.5Low56.7Low112 Ų112126.7 Ų126.769%0.68771%0.705SS**THydrogen-bonded Turntrans-101.1-4.3-173.546.10000116.1L753 R757L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 2.8Å; T755-R757 PolarHBondContact O-N 3.09Å
756V46.3Very low54Low134 Ų134128.8 Ų128.881%0.81272%0.716SS**  trans-100.175.4177.1-171.70000111.1
757R41.6Very low51Low235 Ų235126.6 Ų126.689%0.88772%0.719SS**  trans-98.180.2175.6-168.3-165.292.6170.87.6112T755T755-R757 PolarHBondContact O-N 3.09Å
758D36Very low48.5Very low140 Ų140126.1 Ų126.175%0.74972%0.724SS**  trans-142.3109162.3-161.90.5000111.9
759P44.1Very low45.8Very low124 Ų124129.6 Ų129.681%0.80574%0.74SS**  trans-105.862.8-170.539.8-34.1000113.7
760A43.3Very low44Very low77 Ų77132.1 Ų132.164%0.63675%0.751SS**  trans-151.2158.3172.800000114.7
761V47.4Very low42.7Very low146 Ų146137.5 Ų137.589%0.88577%0.772SS**  trans63.367.7164.2-156.80000118.2
762G35.9Very low41.8Very low74 Ų74136.4 Ų136.476%0.76378%0.777SS**  89.9-171.9117.900000120.9
763L43.5Very low40.8Very low156 Ų156137.7 Ų137.782%0.81779%0.787SS**  trans65.682.3174.9-59.7176.2000118.7
764L38.7Very low39.6Very low154 Ų154135.2 Ų135.281%0.80679%0.787SS**  5488.4125.1-61.2169.9000118.8
765R37.3Very low39.1Very low249 Ų249134.3 Ų134.394%0.9479%0.79SS**  -149.5112.5120.9-151.1150.473168.83.3113.1
766S37.1Very low38.1Very low103 Ų103135 Ų13572%0.7279%0.793SS**  trans-68.5147.3-178.4-45.60000112.8
767C28.8Very low37.6Very low113 Ų113136.5 Ų136.576%0.76480%0.796SS**  trans-64.9149.1164.3-54.90000111.2
768P37.3Very low37.3Very low116 Ų116130.1 Ų130.175%0.75379%0.794SS**  trans-110.987.2148.834.3-26.2000110.3S770P768-S770 PolarHBondContact O-N 2.94Å; P768-S770 VanDerWaalsContact O-N 3.11Å
769H32.4Very low37.1Very low198 Ų198129.7 Ų129.792%0.91780%0.796SS**  trans-74.885.3147.8-86.2-57.7000107.1
770S34.6Very low36.8Very low94 Ų94129.1 Ų129.166%0.65779%0.793SS**SBendtrans-152.9143.5172.2-1710000109.7P768 P772P768-S770 PolarHBondContact O-N 2.94Å; P768-S770 VanDerWaalsContact O-N 3.11Å; S770-P772 WeakPolarHBondContact O-CD 3.3Å
771L34.3Very low36.2Very low165 Ų165131.3 Ų131.386%0.86480%0.798SS**  trans-70.4118.8167.5-70.8160.6000108.2A773L771-A773 PolarHBondContact O-N 3.46Å; L771-A773 VanDerWaalsContact O-N 3.14Å
772P40.2Very low35.6Very low122 Ų122132 Ų13279%0.79280%0.796SS**  trans-74.7105.2170.530.2-31000108.9S770S770-P772 WeakPolarHBondContact O-CD 3.3Å
773A33.5Very low35.6Very low93 Ų93132.7 Ų132.777%0.76980%0.795SS**PPolyproline II helixtrans-60.3143.7162.400000109.5L771L771-A773 PolarHBondContact O-N 3.46Å; L771-A773 VanDerWaalsContact O-N 3.14Å
774A31.6Very low35.2Very low88 Ų88131.6 Ų131.673%0.72780%0.795SS**PPolyproline II helixtrans-66.7126.5-17200000112.3
775P44.9Very low35.1Very low128 Ų128130.1 Ų130.183%0.83179%0.794SS**PPolyproline II helixtrans-71.1132.416630.4-32.2000109.5
776T31.7Very low35Very low125 Ų125122.7 Ų122.777%0.76779%0.786SS**PPolyproline II helixtrans-85.4170.5178.6-49.40000110.7
777L34.8Very low34.7Very low166 Ų166123.8 Ų123.887%0.86979%0.792SS**  trans89.887.5167-54.9166.5000117.3
778A35.1Very low35.2Very low101 Ų101124.6 Ų124.684%0.83580%0.796SS**  -175.188.1123.900000111.3
779T32.1Very low35.3Very low131 Ų131123 Ų12380%0.80480%0.801SS**  trans-120136.8170.428.80000111.1
780P38.6Very low35.3Very low112 Ų112117.8 Ų117.873%0.72779%0.792SS**  trans-71.2120.9137.630.8-26.7000107.5
781T31.3Very low35.6Very low124 Ų124122 Ų12276%0.76181%0.806SS**  62.894.786.2-530000109.5
782L34.2Very low36.2Very low161 Ų161117.5 Ų117.584%0.84380%0.8SS**  cis-137.6-173.314.5-95.5164.7000109.8
783A35.4Very low36.7Very low88 Ų88118 Ų11873%0.72780%0.803SS**  cis-152.2-146.624.800000114.9
784T35.1Very low37Very low133 Ų133119 Ų11982%0.81680%0.796SS**  trans-104.6166.2-163.627.30000114.6
785P37.8Very low37.3Very low123 Ų123125.7 Ų125.780%0.79980%0.802SS**  -139.1-147.9-128.646.1-27.7000116.1
786A34.1Very low37Very low93 Ų93122.8 Ų122.877%0.76980%0.795SS**  trans90.9147.1-177.100000114.4
787C31.2Very low37.4Very low125 Ų125128.9 Ų128.985%0.84580%0.804SS**  cis-137.7168.616.4-52.80000113.3
788P40Very low37.5Very low130 Ų130124.7 Ų124.784%0.84480%0.801SS**  trans-133.4145.3166.738.3-23.5000117.2
789G37.5Very low37.6Very low83 Ų83124.5 Ų124.586%0.85680%0.799SS**  trans83.3160.3163.600000117.2
790A33.7Very low38.1Very low89 Ų89124.7 Ų124.774%0.73680%0.803SS**  cis-166.4173.4-13.900000110.2
791L41Very low38.4Very low182 Ų182123 Ų12395%0.95381%0.806SS**  trans70.1149176.8-43.8170.4000114.6
792G47.1Very low38.4Very low71 Ų71125.9 Ų125.973%0.73281%0.811SS**  cis-167.9168.4-7.500000110.7
793P49.5Very low38.6Very low131 Ų131129.6 Ų129.685%0.85181%0.814SS**  trans-104.1168.3-169.439.4-35.7000115.3
794N39.7Very low38.7Very low116 Ų116131.6 Ų131.662%0.6282%0.817SS**  158.6158.1127.6-161.74.5000113
795W38.9Very low38.7Very low228 Ų228129.8 Ų129.886%0.86481%0.809SS**  trans67.7144.3171.2-44.3107.6000118.6
796G38.6Very low38.8Very low66 Ų66132.3 Ų132.368%0.6881%0.813SS**  cis147.9114-16.400000116.2
797R39.8Very low38.8Very low254 Ų254136 Ų13696%0.95881%0.814SS**  trans66110.8157.5-170.3-169.3-59-87.2-0.2118.5
798G37.2Very low39.1Very low78 Ų78135.4 Ų135.480%0.80481%0.808SS**  trans-168.1139161.100000111
799A37Very low39.1Very low97 Ų97137.1 Ų137.180%0.80281%0.805SS**  trans-157.4-179.2-177.500000109.9
800P42.2Very low39.2Very low134 Ų134139.4 Ų139.487%0.8781%0.805SS**  -113.1168.6-72.137.6-27.9000111.9
801G44.6Very low39.6Very low77 Ų77142.3 Ų142.379%0.79481%0.807SS**  trans-133.4148.6172.100000111.8
802E32.7Very low39.5Very low184 Ų184141.5 Ų141.586%0.8680%0.803SS**  trans-84.3-161.6-177.4-62.2178.492.300113.2
803W37Very low39.1Very low239 Ų239143.5 Ų143.591%0.90580%0.803SS**  trans111.460.9170.2-64.293.2000117.6
804V37.4Very low38.6Very low131 Ų131142.5 Ų142.579%0.79480%0.797SS**  37.1129.3128.4-179.10000120.2
805S36.4Very low38.2Very low95 Ų95143.4 Ų143.466%0.66481%0.807SS**  trans74.999.4155.21800000119.5
806M39.3Very low38.1Very low176 Ų176141.5 Ų141.587%0.86780%0.801SS**  -148.3157.3122.8-90.6-47.9150.700112.5
807Q34.4Very low38Very low169 Ų169147.9 Ų147.979%0.7981%0.81SS**  trans-35.8137.9-175.8-72.3-77.812.700118.6
808P36.4Very low38.1Very low113 Ų113144.1 Ų144.173%0.73481%0.808SS**  trans-84127.7165.333.2-31.4000112.7
809Q41.1Very low38.2Very low167 Ų167148.4 Ų148.478%0.7881%0.813SS**  trans-72.5141.5167.6-82.2-170.9-16.100111.9L811Q809-L811 PolarHBondContact O-N 3.16Å
810P38.8Very low38.2Very low131 Ų131146.9 Ų146.985%0.85181%0.806SS**  trans-76101.5166.6-9.526.4000110.8
811L42Very low37.9Very low149 Ų149150 Ų15078%0.7881%0.809SS**PPolyproline II helixtrans-83.8127171.2-71173.7000110.9Q809Q809-L811 PolarHBondContact O-N 3.16Å
812L38.9Very low37.6Very low166 Ų166152.3 Ų152.387%0.86981%0.808SS**PPolyproline II helixtrans-76.6128.8178.5-67.8166.9000111.6
813P39.4Very low37.8Very low113 Ų113151.8 Ų151.873%0.73481%0.81SS**PPolyproline II helixtrans-69.4149.8166.2-2034.3000112.3
814P39.2Very low37.6Very low109 Ų109145.5 Ų145.571%0.70880%0.802SS**PPolyproline II helixtrans-89.1161.5-160.835-37.9000115.4Y816P814-Y816 HydrophobicContact CB-CD2 4.15Å; P814-Y816 HydrophobicContact CB-CE2 3.97Å
815T31Very low37.6Very low136 Ų136151.2 Ų151.283%0.83481%0.81SS**  trans-112.1110.7175.5-49.90000111.3
816Y36.5Very low37.6Very low188 Ų188149.8 Ų149.874%0.73781%0.81SS**  trans-144.3149.3167.3-62.2-81.2000107.2P814P814-Y816 HydrophobicContact CB-CD2 4.15Å; P814-Y816 HydrophobicContact CB-CE2 3.97Å
817F36.5Very low37.6Very low199 Ų199147.5 Ų147.587%0.87381%0.809SS**  cis-129.315917.9-74.8-101.1000112.8
818L41.8Very low37.4Very low176 Ų176144.8 Ų144.892%0.92181%0.809SS**  trans-116.5127.8164-98.1167.1000108.5
819D39.1Very low37.6Very low168 Ų168150.2 Ų150.290%0.89881%0.814SS**  trans-163.8131.8163-157.325.9000107.9
820G36.8Very low37.4Very low64 Ų64150 Ų15066%0.6681%0.813SS**  cis175.999.1-9.700000111.7
821E37.6Very low37.4Very low199 Ų199151.1 Ų151.193%0.9381%0.807SS**  trans-155.6138.4165.5-133.4172.7-159.200111.3
822T36.6Very low37.3Very low127 Ų127153.2 Ų153.278%0.77981%0.813SS**  trans-106.8109.4-160.9-51.30000113.2
823L38.4Very low37.1Very low172 Ų172152.3 Ų152.390%0.90180%0.804SS**  trans-136.5116.1157.2-75.2179.2000110.4
824S31.2Very low36.7Very low107 Ų107152.1 Ų152.175%0.74881%0.806SS**  trans-91.6107.9-169.735.40000113
825W38.9Very low36.6Very low251 Ų251153.5 Ų153.595%0.95181%0.812SS**  trans-135.893.1164.5-83.688.5000110.4
826G35.8Very low36.7Very low65 Ų65152.2 Ų152.267%0.6781%0.809SS**  trans-89.1151.8169.600000111.7
827P38.6Very low36.7Very low129 Ų129148.8 Ų148.884%0.83881%0.809SS**  trans-79140.1-178.432-34.3000112.4
828S31.6Very low36.6Very low112 Ų112151.1 Ų151.178%0.78381%0.812SS**  trans-143.4117.9169176.60000109.2
829W39.1Very low36.3Very low226 Ų226146.8 Ų146.886%0.85680%0.802SS**  trans-1544.3166.559.5-88.8000114.2
830E38.6Very low36.2Very low162 Ų162147 Ų14776%0.75780%0.797SS**  trans-101.2157.6166.9-64.9-179.4122.700109.7
831Q37.9Very low36Very low155 Ų155148.4 Ų148.472%0.72480%0.796SS**  trans76.672.7-176.7-156.5175.72200117.4Q833Q831-Q833 HydrophobicContact CG-CG 4.41Å
832Q39.4Very low35.9Very low194 Ų194146.8 Ų146.891%0.90779%0.788SS**  trans-124141.2142-88.8-67.5-59.700108.2
833Q35.4Very low35.8Very low146 Ų146146.9 Ų146.968%0.68279%0.794SS**  trans-126.6142.7-160.3-68.2178.6-36.100114.2Q831Q831-Q833 HydrophobicContact CG-CG 4.41Å
834S30.7Very low35.8Very low109 Ų109148.3 Ų148.376%0.76279%0.793SS**  trans71.8170.5144.475.20000121.1
835V36.9Very low36.3Very low139 Ų139149.3 Ų149.384%0.84280%0.797SS**  trans74120.5178.8-171.50000113.7
836S32.5Very low36Very low109 Ų109149.3 Ų149.376%0.76280%0.797SS**  cis-156.7155.40.3-167.30000111.7
837P37.4Very low35.9Very low115 Ų115149 Ų14975%0.74779%0.794SS**  trans-114.4155.2-176.640-32.1000116.9
838R35.3Very low35.5Very low249 Ų249152.9 Ų152.994%0.9480%0.798SS**  trans-169.1122.9154.7-105.6167.2-162.3-152.42.2109.2
839A34.9Very low36.3Very low85 Ų85152.5 Ų152.570%0.70279%0.792SS**  79.8140.892.700000114.2
840H37.1Very low36.3Very low171 Ų171150 Ų15079%0.79279%0.791SS**  cis-157.5154.67.2-124.1-62.3000110.9
841C33.2Very low36.2Very low94 Ų94151.6 Ų151.664%0.63580%0.798SS**  trans49.1157.9150.4-68.70000121.6
842E33.5Very low36.3Very low165 Ų165148.1 Ų148.177%0.77180%0.804SS**  cis152.1134.1-21.5-103.6-173.8116.200107.6
843S36.2Very low36.1Very low130 Ų130146.8 Ų146.891%0.90980%0.797SS**  trans178.2165.5146.631.50000111.5
844K36.7Very low36.3Very low202 Ų202145.5 Ų145.588%0.87880%0.799SS**  trans-118.9162.1-157.1-81.1175175.8168.90115.9
845P42.5Very low36.4Very low127 Ų127146 Ų14683%0.82579%0.793SS**  trans-102.4167.8-17739.9-37.1000116.6
846R33.1Very low36.3Very low252 Ų252145.1 Ų145.195%0.95179%0.788SS**  trans-164.5154.9163.2-169.9161.2-70.9-146-2.1108.1
847G33.5Very low36.4Very low59 Ų59149 Ų14961%0.60879%0.791SS**  cis-171.1-146.41.500000112.8
848F30.7Very low36.4Very low210 Ų210148.5 Ų148.592%0.92179%0.788SS**  trans-147.3179.8-176.9-92.4-81.5000108.1
849P48.2Very low36.6Very low103 Ų103142.6 Ų142.667%0.66978%0.775SS**  cis-146.2-178.221.344.1-22.7000119.3
850E37.7Very low36.5Very low175 Ų175146.9 Ų146.982%0.81878%0.777SS**  trans79.6165134.8-101.8169.4133.600127.5
851E38.2Very low36.4Very low195 Ų195149.3 Ų149.391%0.91178%0.78SS**  trans74.1131.6167.7-69.3-178.9137.100121.7
852G38.3Very low36.5Very low82 Ų82152.3 Ų152.385%0.84579%0.788SS**  trans151.259.8178.800000116.4
853H35.1Very low36.4Very low165 Ų165152.7 Ų152.776%0.76479%0.79SS**  trans-86.4162.9179.7-167.1-101.9000113.1
854V40.8Very low36.1Very low120 Ų120157.9 Ų157.973%0.72779%0.79SS**  trans163.5134.9138.1156.30000114.1
855D33.4Very low36Very low120 Ų120151.8 Ų151.864%0.64278%0.784SS**  trans0.8138165.4-61.5-56.8000122.6
856V33.9Very low35.5Very low119 Ų119152.7 Ų152.772%0.72179%0.787SS**  cis85.7111.442.71740000115
857K35.2Very low35.6Very low192 Ų192144.8 Ų144.884%0.83578%0.776SS**  trans-170.1120.9130.1-119.6178.7179.4176.70115.3
858P36.9Very low36.3Very low104 Ų104146.8 Ų146.868%0.67578%0.778SS**  trans-127.6125.6161.935.2-20.8000113.8
859D38.5Very low36.5Very low125 Ų125147 Ų14767%0.66878%0.779SS**  trans-121.5133.8165.2-88.4-62.7000108.5
860K33Very low35.8Very low174 Ų174150.5 Ų150.576%0.75779%0.787SS**  cis7896.837-62.9-177.1175.1177.70115.5
861R36Very low35.5Very low223 Ų223146 Ų14684%0.84278%0.779SS**  trans166.9119.2133.2-85.1147.6-153.1-101.14.5107.5
862L34Very low35.6Very low156 Ų156144.4 Ų144.482%0.81778%0.776SS**  62.8107.265.2-64.4172.3000113.5
863Q32.6Very low35.3Very low173 Ų173145.2 Ų145.281%0.80877%0.769SS**  173.2139.1103.1-90.5-172.633.600115.1
864R30.1Very low35.8Very low239 Ų239142.7 Ų142.790%0.90277%0.767SS**  trans52.6123.9134.4-172.9179.5-82.1-142.2-3.4121.1
865G33.3Very low35.6Very low74 Ų74142.2 Ų142.276%0.76377%0.769SS**  trans-179.5109.3157.900000113.2
866V32.4Very low36.1Very low146 Ų146141.6 Ų141.689%0.88578%0.781SS**  trans-113.3158.9-179.1175.90000110.4
867A35Very low36.5Very low87 Ų87139.5 Ų139.572%0.71978%0.783SS**  trans-65.3-169.7174.300000112.5
868P48.4Very low36.7Very low100 Ų100136 Ų13665%0.64978%0.783SS**  cis-134.4-167.3-2.343.8-26.7000113.6
869F34.4Very low36.7Very low215 Ų215135.1 Ų135.194%0.94378%0.779SS**  trans-151.4156.8145.3-99.5-66.2000111.9
870Q33.9Very low37Very low177 Ų177139.5 Ų139.583%0.82779%0.788SS**  trans-124.6168.7-173.2-56.2-178.317.400112.9
871A32Very low37.5Very low80 Ų80136.2 Ų136.266%0.66179%0.793SS**  trans102.8148.4130.600000120.9
872L39.8Very low38Very low162 Ų162129.2 Ų129.285%0.84879%0.79SS**  trans71.2141.8164.3-47.5-176.6000117.4
873S32.5Very low38.3Very low99 Ų99128.1 Ų128.169%0.69279%0.792SS**  cis-178.5-177.5-18-102.20000108
874P46.2Very low38.7Very low111 Ų111124.8 Ų124.872%0.72180%0.795SS**  -134.2-163.5-56.438.8-19.9000113
875S36.5Very low39.1Very low111 Ų111119.6 Ų119.678%0.77679%0.789SS**  trans96.3112.2146.3-67.10000124.1
876A42.8Very low39.5Very low107 Ų107123.8 Ų123.888%0.88479%0.794SS**  100.2134.9119.500000122.8
877G42.8Very low39.7Very low75 Ų75123.7 Ų123.777%0.77378%0.783SS**  trans103.598168.400000114.7
878S38.8Very low39.8Very low118 Ų118125.3 Ų125.383%0.82579%0.787SS**  cis79.312848.7-164.90000113.5
879S38.5Very low39.6Very low85 Ų85127.9 Ų127.959%0.59479%0.793SS**  cis-172.5-177.3-941.20000112.3
880Y43.6Very low39.6Very low218 Ų218129.5 Ų129.586%0.85579%0.793SS**  trans92.3101.2161.1-68.6-74.6000123.4
881A43Very low39.6Very low104 Ų104123.9 Ų123.986%0.8678%0.782SS**  86.3132117.500000123.4
882G46.3Very low39.7Very low77 Ų77125.7 Ų125.779%0.79479%0.791SS**  trans130.292.7156.100000116.4
883P41.7Very low39.7Very low132 Ų132126.9 Ų126.986%0.85780%0.797SS**  trans-103.9156.2-178.538.2-32.8000115
884A40.5Very low40.1Very low104 Ų104125 Ų12586%0.8679%0.792SS**  trans-151.2150.4159.700000110.1
885T38.5Very low40Very low129 Ų129127 Ų12779%0.79180%0.796SS**  trans-112.7151.6-158.7-34.50000112.8
886L41.9Very low40.2Very low163 Ų163130 Ų13085%0.85380%0.798SS**  -179.4138.3123.2-95.1167.6000114.2
887H35.7Very low40Very low143 Ų143133.4 Ų133.466%0.66280%0.796SS**  trans-22.1153.3176.5-94.6-76.9000122.5I889H887-I889 HydrophobicContact CB-CG1 4.3Å
888P37.5Very low40.1Very low122 Ų122135.9 Ų135.979%0.79280%0.796SS**  -108.2156.2111.834.7-34.8000112.4
889I45.4Very low40.5Very low154 Ų154136 Ų13679%0.7979%0.794SS**  trans-105151.8-178-67.9174.6000110.9H887H887-I889 HydrophobicContact CB-CG1 4.3Å
890W32.9Very low40.6Very low249 Ų249137.8 Ų137.894%0.94381%0.806SS**  trans-140.2133-172-170.9-54.7000110.6
891G34Very low40.2Very low58 Ų58134.1 Ų134.160%0.59881%0.807SS**  trans104.2140.3144.500000121.6
892S33.9Very low40.2Very low119 Ų119132.6 Ų132.683%0.83280%0.801SS**  96.7112.2124.5-54.80000121
893L40.2Very low40.1Very low187 Ų187132.5 Ų132.598%0.97980%0.8SS**  trans173.6134.5147.1-96158.3000106.9
894G41.8Very low39.9Very low58 Ų58130.7 Ų130.760%0.59880%0.796SS**  cis-180170.6-7.900000111.1
895L43.3Very low39.7Very low154 Ų154132.9 Ų132.981%0.80679%0.793SS**  trans70.6123.1178.2-75.381.9000115.7
896E40.4Very low39.5Very low174 Ų174131.1 Ų131.181%0.81379%0.786SS**  79.3139.582.4-97.5178.814800113.2
897E40.4Very low39.4Very low179 Ų179130 Ų13084%0.83679%0.786SS**  cis-136.6-169.229-146.6-176.8147.300114.1
898T43.6Very low39.4Very low127 Ų127127.3 Ų127.378%0.77979%0.789SS**  trans-99.6166.6-157.830.80000118.9
899P47.8Very low39.8Very low119 Ų119127.1 Ų127.177%0.77379%0.788SS**  trans-104.7-173.8-168.942.5-37.9000115.7
900S39.7Very low39.3Very low123 Ų123126.2 Ų126.286%0.8679%0.793SS**  trans-135.6165.4168.6-167.30000112.9
901V36.4Very low39.4Very low142 Ų142120.7 Ų120.786%0.86179%0.787SS**  trans-142.1149-155.6170.10000113
902G42.4Very low40Very low72 Ų72124.2 Ų124.274%0.74280%0.8SS**  trans171.8126.4160.300000117.5
903G43.2Very low40.1Very low75 Ų75129.8 Ų129.877%0.77380%0.802SS**  trans78131169.400000115.9
904A37.5Very low39.7Very low94 Ų94125.4 Ų125.478%0.77779%0.788SS**  cis61.2134.416.200000114
905D37.5Very low39.4Very low149 Ų149128.9 Ų128.980%0.79780%0.801SS**  cis-165.21762.3-132.7-28.1000108.5
906S34.9Very low38.9Very low93 Ų93124.8 Ų124.865%0.6580%0.796SS**  cis-163.5-161.3-1.5-151.50000111.8
907V38.7Very low38.5Very low138 Ų138127.2 Ų127.284%0.83680%0.804SS**  trans81.6136161.1-169.30000118.4
908A35.7Very low38.3Very low88 Ų88122.7 Ų122.773%0.72781%0.805SS**  trans-135.7-135.2177.800000113.1
909P45.6Very low38.2Very low118 Ų118124.2 Ų124.277%0.76681%0.809SS**  -122.1169.3-119.939.5-23.5000116.1
910C35.4Very low37.9Very low135 Ų135123.5 Ų123.591%0.91280%0.804SS**  trans-161.2150.9152.5-105.80000113.7
911T36Very low37.7Very low132 Ų132121.7 Ų121.781%0.8180%0.796SS**  trans-127.7129.8171.153.10000111
912P45Very low37.8Very low133 Ų133121.8 Ų121.886%0.86479%0.792SS**  trans-82.6175.6161.733.7-31.6000111.6
913R35.8Very low37.9Very low235 Ų235129 Ų12989%0.88780%0.797SS**  trans-139.1152.9-154.4-169.6-163.8178.8-168.42.1113
914S32.2Very low37.9Very low96 Ų96130.9 Ų130.967%0.67180%0.795SS**  trans86.2147.7150.982.30000120.7
915C35.3Very low38Very low130 Ų130138.6 Ų138.688%0.87881%0.805SS**  trans57.3136.8150.8-620000120.8
916G33.6Very low38.1Very low68 Ų68135.9 Ų135.970%0.70180%0.803SS**  cis148145.6-10.600000114.4
917K32.5Very low38.4Very low226 Ų226134.9 Ų134.998%0.98381%0.807SS**  trans65.1137.2-179.8-66.5174.5173.11750115.9
918G36Very low38.5Very low84 Ų84140.1 Ų140.187%0.86681%0.812SS**  trans157.752.6174.500000116.4
919D40.1Very low38.8Very low158 Ų158141.6 Ų141.685%0.84582%0.817SS**  trans-90.3157155.7-150.137.5000106.3
920P43.3Very low38.6Very low105 Ų105139.8 Ų139.868%0.68282%0.819SS**  cis-143.5-174.322.944.9-26.3000117.1
921A35.3Very low38.9Very low84 Ų84137 Ų13769%0.69481%0.813SS**  trans70.1149.3156.800000116.3
922D36.9Very low39.2Very low145 Ų145142.8 Ų142.878%0.77582%0.821SS**  cis-151.817044.6-133.8-27.4000117.6
923R44.6Very low39Very low224 Ų224140 Ų14085%0.84582%0.816SS**  trans-42.2174.2-171.4-85172.9170.2-103.9-2.6122.9
924P44.1Very low39.3Very low113 Ų113136.2 Ų136.273%0.73481%0.811SS**  trans-103.3172.3-165.741.4-36.6000115.1
925W39.4Very low39.6Very low257 Ų257139.2 Ų139.297%0.97382%0.815SS**  trans-93.6156.8167.1-8783.2000113.3
926A39.8Very low39.9Very low92 Ų92141.9 Ų141.976%0.7681%0.806SS**  trans-149.1158.4-167.400000113.9
927G41.8Very low40.3Very low71 Ų71144.7 Ų144.773%0.73280%0.801SS**  trans171.5153.1158.600000114.1
928W40.3Very low40.6Very low248 Ų248141.7 Ų141.794%0.93979%0.79SS**  cis-146.6164.6-4.7-95.80.4000110.1
929S42.3Very low41Very low119 Ų119145 Ų14583%0.83279%0.787SS**  trans18.9144.7151.2-51.90000121.7
930G41.8Very low40.9Very low80 Ų80143 Ų14383%0.82578%0.783SS**  cis161.3168.63.300000109.6
931G40.4Very low40.8Very low76 Ų76145.4 Ų145.478%0.78479%0.789SS**  cis176-174.6-5.200000113.1
932R41.9Very low41.1Very low255 Ų255147.1 Ų147.196%0.96279%0.793SS**  trans69.5102.4166.2-63.4-172.3175.8-83.7-2.5121.5
933G41.5Very low41.1Very low74 Ų74144.8 Ų144.876%0.76379%0.788SS**  120.5152.6113.900000118.9
934I41.7Very low40.7Very low155 Ų155139.2 Ų139.280%0.79578%0.779SS**  cis-155.2129.7-7.5-94.2155.4000108.2
935H39.3Very low40.3Very low160 Ų160144.7 Ų144.774%0.74179%0.785SS**  trans51.9165.8159.2-79.3-110.2000119.4
936R40.9Very low40.2Very low186 Ų186137.2 Ų137.270%0.70278%0.778SS**  cis-152.5142.110.9-150.3150.1179.4-146.2-25112.8
937E43Very low39.9Very low126 Ų126144 Ų14459%0.58978%0.784SS**  trans42.9148.2143-75.5151-135.100123
938H38Very low40Very low164 Ų164146.5 Ų146.576%0.75979%0.788SS**  cis-170.2177.6-17.4-148.6-117.4000111.6
939L44.6Very low39.9Very low152 Ų152146 Ų14680%0.79679%0.787SS**  trans78.3153.2163.9-61.4176.2000119.8
940P39.1Very low39.8Very low117 Ų117144 Ų14476%0.7679%0.786SS**  trans-135.5178.1-140.842.3-23.8000119.5
941L39.2Very low39.4Very low156 Ų156146.6 Ų146.682%0.81779%0.785SS**  trans-33160160.9-87.2161.5000117.3
942P43.6Very low39.4Very low119 Ų119152.2 Ų152.277%0.77379%0.791SS**  -148.6159.851.441.1-20.9000121.3
943S35.6Very low39.4Very low96 Ų96149 Ų14967%0.67178%0.784SS**  trans52.9131.2145.4-158.80000119.6
944T36.3Very low39Very low107 Ų107151.1 Ų151.166%0.65679%0.787SS**  -176.8144.469-62.40000112.5
945R36.3Very low38.8Very low229 Ų229153 Ų15386%0.86479%0.79SS**  trans54.6111.3164.7-72.7168.2-164-126.52.6118.8
946A35.8Very low38.8Very low100 Ų100150.3 Ų150.383%0.82679%0.789SS**  trans-109.1145.8158.300000111
947W34.8Very low38.7Very low234 Ų234147.8 Ų147.889%0.88680%0.795SS**  trans-105.6131169.7-75.768.2000109.7
948P43Very low38.5Very low123 Ų123153.2 Ų153.280%0.79981%0.81SS**  trans-84.5131.8171.732.1-31.5000112.1
949Y38.7Very low38.3Very low238 Ų238156.2 Ų156.293%0.93382%0.815SS**  trans-76.4164160.5-91.9-108.4000110.7
950G39.4Very low38.1Very low78 Ų78153.1 Ų153.180%0.80481%0.811SS**  trans119.3103.6148.500000115.7
951V35.2Very low38Very low134 Ų134153 Ų15381%0.81281%0.812SS**  trans-90.5119.8165.4174.10000109.1
952E39.2Very low38.1Very low193 Ų193151.7 Ų151.790%0.90281%0.811SS**  trans-129.1144.7153.5-85.2-162.7148.800110.4
953K42.7Very low38.1Very low188 Ų188151.1 Ų151.182%0.81781%0.808SS**  trans-100.9128-174.2-77.7-175.5173.9-178.80111.4F955K953-F955 PolarHBondContact O-N 3.09Å
954S33.4Very low38.2Very low118 Ų118158.4 Ų158.483%0.82582%0.82SS**  trans-57.3129.4172.3-44.80000112.4
955F37.1Very low38.4Very low194 Ų194167.8 Ų167.885%0.85185%0.846SS**  trans-133.6139.4152.1-95.3-78.9000109.1K953K953-F955 PolarHBondContact O-N 3.09Å
956S39.7Very low38.5Very low104 Ų104164.8 Ų164.873%0.72785%0.845SS**  trans-82.9131.9-157.638.70000114.6W958S956-W958 PolarHBondContact O-N 3.49Å
957T38.3Very low38.6Very low133 Ų133168.2 Ų168.282%0.81685%0.846SS**  trans-8199.5-177.9-44.10000111.7R959T957-R959 PolarHBondContact O-N 3.02Å
958W38.9Very low38.8Very low240 Ų240164.5 Ų164.591%0.90984%0.844SS**  trans-69.791.7168.7-83.190.2000111.1S956 A960S956-W958 PolarHBondContact O-N 3.49Å; W958-A960 PolarHBondContact O-N 3.07Å; W958-A960 VanDerWaalsContact O-N 3.09Å
959R33.3Very low38.6Very low228 Ų228166.9 Ų166.986%0.8685%0.847SS**  trans-79.480.3176-173.2-170.5-66.8-123.42.6110.5T957T957-R959 PolarHBondContact O-N 3.02Å
960A41.2Very low38.6Very low87 Ų87162.5 Ų162.572%0.71984%0.841SS**  trans-78.7118.9169.100000110.4W958W958-A960 PolarHBondContact O-N 3.07Å; W958-A960 VanDerWaalsContact O-N 3.09Å
961S35.9Very low38.5Very low113 Ų113168.1 Ų168.179%0.7984%0.844SS**  trans-61.6135.1-177.7-57.70000112.3
962T42Very low38.7Very low129 Ų129170.6 Ų170.679%0.79185%0.846SS**  trans-102.3113.3167.8-46.50000108.4R964T962-R964 PolarHBondContact O-N 3.43Å
963P44.4Very low38.7Very low108 Ų108168.8 Ų168.870%0.70184%0.842SS**  trans-66134.2169.428.3-32.5000108.9
964R37.4Very low38.4Very low248 Ų248167.3 Ų167.394%0.93684%0.844SS**  trans-89.1119.9165.5-80.7-174.9172.7-177.9-1.6108.7T962T962-R964 PolarHBondContact O-N 3.43Å
965Y39Very low38.8Very low305 Ų305171.7 Ų171.7100%1.19685%0.845SS**  trans-127.20152.1-91.9-79.6000106

Retrieved 965 of 965 residues in 211.8 ms (Link to these results)