A0A060X9R5_ONCMY Loading...

Cyclic AMP-responsive element-binding protein 3-like protein 2

AlphaFold DB , UniProt , Accession A0A060X9R5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500212, Length 534 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
1M35.3Very low37.2Very low205 Ų205151.7 Ų151.7100%1.0180%0.795SS**  01100-86.471.7-176.900107.3
2E40.2Very low36.8Very low157 Ų157152.2 Ų152.273%0.73479%0.79SS**  73.799.597.4-66.7159.6-174.100108.9
3I42.4Very low37Very low153 Ų153159.2 Ų159.279%0.78580%0.8SS**  cis57.9126.444-41.9-178.8000113.1
4L38Very low36.9Very low160 Ų160154.1 Ų154.184%0.83878%0.776SS**  trans108.1138.8169.7-62.6160.1000114.2
5D37.4Very low37.3Very low129 Ų129158.3 Ų158.369%0.6978%0.779SS**  cis-170.4164-23.2-169.728.7000110
6S35.5Very low37.4Very low87 Ų87155.7 Ų155.761%0.60877%0.769SS**  trans64.2147152.9-77.60000118.4
7T34.3Very low37.4Very low121 Ų121155.1 Ų155.174%0.74277%0.769SS**  cis-160.2135.54.5-1.80000109.3
8E33.6Very low37.5Very low188 Ų188152.3 Ų152.388%0.87977%0.767SS**  trans-166130139.1-117.8178.8-176.900111.3
9S38.3Very low37.6Very low104 Ų104153.3 Ų153.373%0.72777%0.769SS**  trans-98.5103.9-163.9-55.40000112.8
10F35.9Very low37.6Very low206 Ų206154.2 Ų154.290%0.90478%0.775SS**  trans-101.5105.2162.3-92.5-88.9000110.7H12F10-H12 PolarHBondContact O-N 3.3Å
11L38.5Very low37.5Very low159 Ų159151.8 Ų151.883%0.83277%0.773SS**  trans-69.6116.7-177.7-70.5165.7000111.2W13L11-W13 PolarHBondContact O-N 3.04Å
12H32.7Very low37.6Very low157 Ų157151.2 Ų151.273%0.72777%0.768SS**  trans-60.7123.7163.1159-80.3000109.7F10 D14F10-H12 PolarHBondContact O-N 3.3Å; H12-D14 PolarHBondContact O-N 2.77Å; H12-D14 VanDerWaalsContact O-N 3.11Å
13W38.8Very low37.7Very low243 Ų243149.2 Ų149.292%0.9277%0.768SS**  trans-66.9108.3174.5-7890000110.2L11 R15L11-W13 PolarHBondContact O-N 3.04Å; W13-R15 PolarHBondContact O-N 3.1Å
14D36.2Very low37.2Very low88 Ų88145.3 Ų145.347%0.47177%0.766SS.*  trans-67.8123.2177.7-162.4-18.1000110.9H12 N16H12-D14 PolarHBondContact O-N 2.77Å; H12-D14 VanDerWaalsContact O-N 3.11Å; D14-N16 VanDerWaalsContact C-N 3.31Å; D14-N16 WeakPolarHBondContact OD1-CB 3.32Å; D14-N16 PolarHBondContact OD1-N 3.45Å; D14-N16 PolarHBondContact OD1-ND2 3.26Å
15R43Very low37.5Very low217 Ų217146.6 Ų146.682%0.81977%0.768SS**THydrogen-bonded Turntrans-80.8-9.7-179.3-1776376.3153.95.2112.4W13W13-R15 PolarHBondContact O-N 3.1Å
16N38.8Very low37.7Very low117 Ų117147.9 Ų147.963%0.62677%0.774SS**THydrogen-bonded Turntrans-96.24.1-169.2-58.9-81.4000115.3D14 S18D14-N16 VanDerWaalsContact C-N 3.31Å; D14-N16 WeakPolarHBondContact OD1-CB 3.32Å; D14-N16 PolarHBondContact OD1-N 3.45Å; D14-N16 PolarHBondContact OD1-ND2 3.26Å; N16-S18 VanDerWaalsContact C-N 3.26Å; N16-S18 PolarHBondContact O-N 3.49Å
17L37.7Very low37.9Very low146 Ų146152.1 Ų152.176%0.76478%0.784SS**THydrogen-bonded Turntrans-849.9177.6-70.2174.3000114.5
18S38.7Very low38.1Very low105 Ų105155 Ų15573%0.73479%0.789SS**THydrogen-bonded Turntrans-100.23.2179.3-600000115N16N16-S18 VanDerWaalsContact C-N 3.26Å; N16-S18 PolarHBondContact O-N 3.49Å
19E38.3Very low38.7Very low171 Ų171152 Ų15280%0.79978%0.783SS**SBendtrans-110.417.1-177.9-64.2-16715400114.3
20L39.1Very low39.2Very low171 Ų171154.5 Ų154.590%0.89579%0.788SS**SBendtrans-121.450.3174.8-73.1177.2000113
21S35.9Very low39.5Very low104 Ų104155.2 Ų155.273%0.72779%0.786SS**  trans-152.661.2163.168.90000112.2
22E36.6Very low39.7Very low193 Ų193151.8 Ų151.890%0.90278%0.775SS**  trans-66.9136.9151.4-96.4-156.3129.900108.8G24E22-G24 PolarHBondContact O-N 3.18Å
23P41.2Very low40.3Very low115 Ų115150.1 Ų150.175%0.74778%0.776SS**  trans-74.3120176.829.9-32000109.8E25P23-E25 PolarHBondContact O-N 3.38Å
24G33.1Very low40.5Very low71 Ų71143.9 Ų143.973%0.73276%0.757SS**  trans-57.6111.9164.600000110E22 N26E22-G24 PolarHBondContact O-N 3.18Å; G24-N26 PolarHBondContact O-N 3.32Å
25E44.7Very low40.9Very low187 Ų187147.4 Ų147.487%0.87477%0.769SS**THydrogen-bonded Turntrans-64.767.1-178.748.9179.3145.600113.2P23P23-E25 PolarHBondContact O-N 3.38Å
26N41.8Very low41.4Very low155 Ų155141.3 Ų141.383%0.82976%0.756SS**THydrogen-bonded Turntrans-157.4-5.5171.7-100.9-50.6000118.1G24G24-N26 PolarHBondContact O-N 3.32Å
27E38.2Very low42Very low176 Ų176139.9 Ų139.982%0.82275%0.748SS**SBendtrans-100.3-0.4179.3-68.3-152.7130.800115.4V29E27-V29 PolarHBondContact O-N 3.27Å; E27-V29 VanDerWaalsContact O-N 3.1Å
28H38.3Very low43Very low181 Ų181138.2 Ų138.284%0.83874%0.739SS**THydrogen-bonded Turntrans-78.35.9-171.7-134.5-66.9000115.7
29V46.5Very low43.9Very low125 Ų125137.9 Ų137.976%0.75873%0.729SS**THydrogen-bonded Turntrans-104-14.2-170.8-171.40000113.5E27E27-V29 PolarHBondContact O-N 3.27Å; E27-V29 VanDerWaalsContact O-N 3.1Å
30L48.5Very low44.7Very low158 Ų158134.1 Ų134.183%0.82771%0.714SS**SBendtrans-114.21.5-174-68.3178000115.9
31Y43.7Very low45.3Very low221 Ų221131 Ų13187%0.86770%0.698SS**SBendtrans-118.119.7-178-105.5-78000115.1
32S42.6Very low46Very low86 Ų86132.7 Ų132.760%0.60169%0.693SS**  trans-107.244.1178.6-157.90000113.6
33T44.7Very low46.6Very low122 Ų122126.7 Ų126.775%0.74867%0.672SS**  trans-103.4117.8159.649.70000107.6
34H43.3Very low47.1Very low113 Ų113127.6 Ų127.652%0.52367%0.667SS.*  trans-78.3143.7-168.5-67.4-97.7000110.1T36 D37H34-T36 PolarHBondContact O-N 3.25Å; H34-D37 PolarHBondContact N-OD2 3.43Å; H34-D37 WeakPolarHBondContact O-CB 3.24Å; H34-D37 PolarHBondContact O-N 3.43Å
35F43.6Very low47.7Very low161 Ų161129.7 Ų129.771%0.70666%0.661SS**Hα-helixtrans-54.9-24.1174.4-178.8-103.1000112.7L39F35-L39 HydrophobicContact CD1-CD1 4.04Å; F35-L39 HydrophobicContact CE1-CD1 3.79Å; F35-L39 HydrophobicContact CE1-CG 4.4Å; F35-L39 PolarHBondContact O-N 3.48Å
36T54.2Low48.3Very low90 Ų90124.9 Ų124.955%0.55265%0.653SS**Hα-helixtrans-61-43.6170.8-42.70000113.1H34 L38 L39 D40H34-T36 PolarHBondContact O-N 3.25Å; T36-L38 VanDerWaalsContact C-N 3.28Å; T36-L38 PolarHBondContact O-N 3.09Å; T36-L39 PolarHBondContact O-N 3.29Å; T36-L39 VanDerWaalsContact O-N 3.08Å; T36-D40 PolarHBondContact O-N 3.37Å
37D50.7Low48.9Very low86 Ų86124.8 Ų124.846%0.4665%0.652SS.*Hα-helixtrans-64.7-36.7-177-52.4-42.1000110.7H34 L39 D40 D41H34-D37 PolarHBondContact N-OD2 3.43Å; H34-D37 WeakPolarHBondContact O-CB 3.24Å; H34-D37 PolarHBondContact O-N 3.43Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.35Å; D37-D40 PolarHBondContact O-N 3.32Å; D37-D41 PolarHBondContact O-N 3.47Å
38L59.4Low49.6Very low111 Ų111120.5 Ų120.558%0.58163%0.634SS**Hα-helixtrans-69.5-27.7176.8-156.476.6000112.4T36 F42T36-L38 VanDerWaalsContact C-N 3.28Å; T36-L38 PolarHBondContact O-N 3.09Å; L38-F42 WeakPolarHBondContact O-CD2 3.47Å
39L58.2Low50.2Low98 Ų98114.3 Ų114.351%0.51362%0.619SS.*Hα-helixtrans-78.1-33.5174.2-70.7171.9000111.9F35 T36 D37 F42 S43F35-L39 HydrophobicContact CD1-CD1 4.04Å; F35-L39 HydrophobicContact CE1-CD1 3.79Å; F35-L39 HydrophobicContact CE1-CG 4.4Å; F35-L39 PolarHBondContact O-N 3.48Å; T36-L39 PolarHBondContact O-N 3.29Å; T36-L39 VanDerWaalsContact O-N 3.08Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.35Å; L39-F42 PolarHBondContact O-N 3.15Å; L39-S43 PolarHBondContact O-N 3.2Å
40D53.8Low50.6Low92 Ų92116 Ų11649%0.49262%0.618SS.*Hα-helixtrans-67.7-33.7174.8-95.91.7000112.4T36 D37 F42 S43 Q44T36-D40 PolarHBondContact O-N 3.37Å; D37-D40 PolarHBondContact O-N 3.32Å; D40-F42 VanDerWaalsContact C-N 3.35Å; D40-F42 PolarHBondContact O-N 3.36Å; D40-S43 PolarHBondContact O-N 3.48Å; D40-S43 VanDerWaalsContact O-N 3.16Å; D40-S43 PolarHBondContact O-OG 3.33Å; D40-Q44 WeakPolarHBondContact O-CG 3.4Å; D40-Q44 PolarHBondContact O-N 3.46Å; D40-Q44 PolarHBondContact O-NE2 3.41Å
41D52.9Low50.6Low105 Ų105115.2 Ų115.256%0.56161%0.614SS**Hα-helixtrans-64.1-37.8171.3-94.94.2000112.2D37 S43 Q44D37-D41 PolarHBondContact O-N 3.47Å; D41-S43 VanDerWaalsContact C-N 3.3Å; D41-S43 PolarHBondContact O-N 3.27Å; D41-Q44 PolarHBondContact O-N 3.16Å; D41-Q44 PolarHBondContact OD1-NE2 3.29Å
42F49.7Very low50.9Low140 Ų140111 Ų11161%0.61461%0.606SS**Hα-helixtrans-73.1-17.9172.7-86.5-79.7000113.8L38 L39 D40L38-F42 WeakPolarHBondContact O-CD2 3.47Å; L39-F42 PolarHBondContact O-N 3.15Å; D40-F42 VanDerWaalsContact C-N 3.35Å; D40-F42 PolarHBondContact O-N 3.36Å
43S49.5Very low51.2Low67 Ų67110.6 Ų110.647%0.46960%0.603SS.*Hα-helixtrans-83.7-29.417588.80000112.4L39 D40 D41L39-S43 PolarHBondContact O-N 3.2Å; D40-S43 PolarHBondContact O-N 3.48Å; D40-S43 VanDerWaalsContact O-N 3.16Å; D40-S43 PolarHBondContact O-OG 3.33Å; D41-S43 VanDerWaalsContact C-N 3.3Å; D41-S43 PolarHBondContact O-N 3.27Å
44Q50.8Low51.2Low135 Ų135108.5 Ų108.563%0.63159%0.588SS**Hα-helixtrans-72.2-28177.5-74.8169.181.800113.4D40 D41 A46D40-Q44 WeakPolarHBondContact O-CG 3.4Å; D40-Q44 PolarHBondContact O-N 3.46Å; D40-Q44 PolarHBondContact O-NE2 3.41Å; D41-Q44 PolarHBondContact O-N 3.16Å; D41-Q44 PolarHBondContact OD1-NE2 3.29Å; Q44-A46 PolarHBondContact O-N 3.41Å; Q44-A46 VanDerWaalsContact O-N 3.07Å
45D47.3Very low51.6Low115 Ų115108.4 Ų108.462%0.61560%0.597SS**SBendtrans-67.6105.4167.6-99.4-19.4000109.5L47D45-L47 PolarHBondContact O-N 3.22Å
46A56Low51.7Low85 Ų85109.7 Ų109.770%0.70260%0.602SS**THydrogen-bonded Turntrans-65.420.8-164.100000117.3Q44Q44-A46 PolarHBondContact O-N 3.41Å; Q44-A46 VanDerWaalsContact O-N 3.07Å
47L54Low51.3Low153 Ų153112.1 Ų112.180%0.80161%0.611SS**THydrogen-bonded Turntrans-87.9-25.1175.8-73.4165000113.3D45D45-L47 PolarHBondContact O-N 3.22Å
48L53.4Low51.1Low87 Ų87113.2 Ų113.246%0.45563%0.626SS.*SBendtrans-84.6-34179.5-96.5158.5000113.5Q50 L51 L52L48-Q50 VanDerWaalsContact C-N 3.26Å; L48-Q50 PolarHBondContact O-N 3.04Å; L48-L51 PolarHBondContact O-N 2.86Å; L48-L51 VanDerWaalsContact O-N 3.09Å; L48-L52 PolarHBondContact O-N 2.98Å
49G50.7Low50.2Low50 Ų50111.4 Ų111.452%0.51563%0.634SS.*Hα-helixtrans-60.2-34.6177.100000113.5L51 S53G49-L51 VanDerWaalsContact C-N 3.29Å; G49-L51 PolarHBondContact O-N 2.8Å; G49-S53 PolarHBondContact O-N 2.98Å; G49-S53 PolarHBondContact O-OG 3.27Å
50Q54.7Low49.6Very low161 Ų161117.9 Ų117.975%0.75265%0.652SS**Hα-helixtrans-73.2-19.1178-15776.129.400113.3L48 S53L48-Q50 VanDerWaalsContact C-N 3.26Å; L48-Q50 PolarHBondContact O-N 3.04Å; Q50-S53 PolarHBondContact O-OG 2.75Å
51L50.2Low48.9Very low141 Ų141123.3 Ų123.374%0.73867%0.674SS**Hα-helixtrans-89.6-26.6-179.5-167.768.9000112.3L48 G49L48-L51 PolarHBondContact O-N 2.86Å; L48-L51 VanDerWaalsContact O-N 3.09Å; G49-L51 VanDerWaalsContact C-N 3.29Å; G49-L51 PolarHBondContact O-N 2.8Å
52L49.8Very low48.2Very low134 Ų134122 Ų12270%0.70269%0.685SS**Hα-helixtrans-94-9.1-179.8-66.7171.6000113.5L48 D54L48-L52 PolarHBondContact O-N 2.98Å; L52-D54 PolarHBondContact O-N 3.38Å
53S48.6Very low47.4Very low76 Ų76125.2 Ų125.253%0.53170%0.702SS.*  trans-77.565.7174.349.60000112.3G49 Q50G49-S53 PolarHBondContact O-N 2.98Å; G49-S53 PolarHBondContact O-OG 3.27Å; Q50-S53 PolarHBondContact O-OG 2.75Å
54D44.2Very low46.9Very low79 Ų79126.5 Ų126.542%0.42272%0.717SS.*  trans-79.4120.6170-173.8-13.4000110.3L52 F56 L57L52-D54 PolarHBondContact O-N 3.38Å; D54-F56 PolarHBondContact O-N 3.28Å; D54-F56 WeakPolarHBondContact OD1-CD2 3.48Å; D54-F56 PolarHBondContact OD1-N 3.48Å; D54-L57 HydrophobicContact CB-CD1 4.46Å; D54-L57 PolarHBondContact O-N 2.75Å; D54-L57 VanDerWaalsContact O-N 3.17Å
55P51.3Low46.5Very low110 Ų110129 Ų12971%0.71473%0.731SS**THydrogen-bonded Turntrans-54.9-21.7178.3-26.935.7000115.2
56F46.6Very low45.9Very low188 Ų188130.8 Ų130.883%0.82574%0.741SS**THydrogen-bonded Turntrans-80.4-10.2-178.3-68.1-76.3000114.9D54D54-F56 PolarHBondContact O-N 3.28Å; D54-F56 WeakPolarHBondContact OD1-CD2 3.48Å; D54-F56 PolarHBondContact OD1-N 3.48Å
57L45.5Very low45Very low142 Ų142135.6 Ų135.674%0.74375%0.748SS**THydrogen-bonded Turntrans-101-13.9179.7-62.9178.6000114D54 G59D54-L57 HydrophobicContact CB-CD1 4.46Å; D54-L57 PolarHBondContact O-N 2.75Å; D54-L57 VanDerWaalsContact O-N 3.17Å; L57-G59 PolarHBondContact O-N 2.79Å
58S45.7Very low44.3Very low109 Ų109131.6 Ų131.676%0.76274%0.744SS**THydrogen-bonded Turntrans-70.92.7-179.1-175.80000114.9
59G41.5Very low43.6Very low73 Ų73136.3 Ų136.375%0.75376%0.764SS**THydrogen-bonded Turntrans-92.86.4-162.100000117.7L57L57-G59 PolarHBondContact O-N 2.79Å
60R44.7Very low43.3Very low234 Ų234141.2 Ų141.288%0.88378%0.778SS**SBendtrans-151.312.4-168-139.6-159.9166.2-176.5-5.3120.8
61E40.4Very low42.4Very low205 Ų205143.7 Ų143.796%0.95879%0.787SS**SBendtrans-136.598.2175.7-66.9-169.6-144.300111.8
62G36.7Very low41.9Very low78 Ų78143.4 Ų143.480%0.80479%0.791SS**  trans147.861.216700000117.9
63E33Very low41.6Very low207 Ų207142.7 Ų142.797%0.96780%0.795SS**  trans-137.1140.9145.9-74.8-161.113000109.4
64A40.6Very low40.9Very low94 Ų94144.7 Ų144.778%0.77781%0.809SS**  trans-121.2144.2-175.900000110.2
65M40.7Very low40.3Very low188 Ų188146.7 Ų146.793%0.92683%0.828SS**  trans64.598.2159.4-155.796.6171.100116.8
66D34.6Very low39.8Very low153 Ų153147.3 Ų147.382%0.81883%0.832SS**  -160.5172.7128-142.8-4.4000113.6
67E37.5Very low39.8Very low185 Ų185146.1 Ų146.186%0.86483%0.834SS**  trans-73.8165.6-174.2-58.3177.4153.900116
68G39Very low40Very low69 Ų69144.4 Ų144.471%0.71183%0.831SS**  trans107.6119.6139.800000120.1
69E39.5Very low40Very low187 Ų187145.3 Ų145.387%0.87483%0.834SS**  trans48.7112.4143.6-58.5-169.7140.200122.6
70D45.1Very low40.1Very low152 Ų152149.6 Ų149.681%0.81384%0.835SS**  trans2799.4135.9-67.1-24.5000121
71F34.2Very low40.2Very low214 Ų214145.8 Ų145.894%0.93983%0.83SS**  trans-145.4118.6143.9-87.4-74.4000112.7
72T41.6Very low40.3Very low134 Ų134142.3 Ų142.382%0.82281%0.814SS**  trans-110.9147.5168.256.90000110.2
73P42.4Very low41.2Very low120 Ų120143.4 Ų143.478%0.77982%0.816SS**  -149.6134.3114.432.7-13.9000117.5
74S33.9Very low42.1Very low118 Ų118139.7 Ų139.783%0.82580%0.798SS**  trans58.197.2138.6-59.30000123.4
75S32.4Very low42.3Very low120 Ų120143 Ų14384%0.83980%0.797SS**  trans-158.5163.5130.2-110.60000111.1
76P40.8Very low42.6Very low123 Ų123139.7 Ų139.780%0.79979%0.792SS**PPolyproline II helixtrans-79.5146.9-140.129.8-37.2000116.5
77L45.6Very low43.3Very low163 Ų163142.4 Ų142.485%0.85379%0.793SS**PPolyproline II helixtrans-73148.2174.4-11874.4000112.4
78P49.3Very low44Very low106 Ų106138.8 Ų138.869%0.68879%0.788SS**PPolyproline II helixtrans-63.9151.3167.1-17.531.5000111.9H80P78-H80 PolarHBondContact O-N 2.9Å
79P47.2Very low44.2Very low128 Ų128144.3 Ų144.383%0.83180%0.8SS**PPolyproline II helixtrans-63.5129.8-178.425-33.5000112.5I81P79-I81 PolarHBondContact O-N 3.36Å
80H43.7Very low44.5Very low163 Ų163141 Ų14176%0.75580%0.796SS**  trans-70.2113.4179.5179.468.9000111.1P78 Q82P78-H80 PolarHBondContact O-N 2.9Å; H80-Q82 PolarHBondContact O-N 2.9Å
81I46.6Very low44.1Very low154 Ų154137 Ų13779%0.7979%0.791SS**  trans-79.2107.4171.6-62174.7000108.1P79 A83P79-I81 PolarHBondContact O-N 3.36Å; I81-A83 PolarHBondContact O-N 3.02Å
82Q41.8Very low44.8Very low133 Ų133133.9 Ų133.962%0.62178%0.784SS**  trans-68.7107.2175.3-73.5174.6-87.400110.5H80 E84H80-Q82 PolarHBondContact O-N 2.9Å; Q82-E84 HydrophobicContact CB-CG 4.23Å; Q82-E84 WeakPolarHBondContact CB-OE1 3.37Å; Q82-E84 PolarHBondContact NE2-OE1 3.17Å; Q82-E84 PolarHBondContact O-N 3.33Å; Q82-E84 VanDerWaalsContact O-N 3.13Å
83A55Low44.8Very low101 Ų101132.8 Ų132.884%0.83578%0.782SS**  trans-86.249.218000000112.5I81I81-A83 PolarHBondContact O-N 3.02Å
84E52.1Low45.1Very low129 Ų129137.6 Ų137.660%0.60379%0.785SS**  trans-110.246.2-172.764.6-167.2116.400114.4Q82Q82-E84 HydrophobicContact CB-CG 4.23Å; Q82-E84 WeakPolarHBondContact CB-OE1 3.37Å; Q82-E84 PolarHBondContact NE2-OE1 3.17Å; Q82-E84 PolarHBondContact O-N 3.33Å; Q82-E84 VanDerWaalsContact O-N 3.13Å
85H45.8Very low45.7Very low163 Ų163138.2 Ų138.276%0.75579%0.786SS**  trans-123.564.8167.2-69.4-17.1000111.5Y87H85-Y87 PolarHBondContact O-N 3.45Å; H85-Y87 VanDerWaalsContact O-N 3.11Å
86S46.8Very low46.1Very low118 Ų118141.4 Ų141.483%0.82579%0.787SS**  trans-67.899.8166.3-62.70000110.4
87Y48.5Very low46Very low211 Ų211140.7 Ų140.783%0.82779%0.786SS**  trans-96.2117.8162.6-80.9-84000109.8H85 L89H85-Y87 PolarHBondContact O-N 3.45Å; H85-Y87 VanDerWaalsContact O-N 3.11Å; Y87-L89 PolarHBondContact O-N 3.19Å
88S52.8Low45.7Very low108 Ų108139.2 Ų139.276%0.75579%0.786SS**  trans-61.8131.2-178.1-570000112.4C90S88-C90 PolarHBondContact O-N 3.02Å
89L43.6Very low45Very low186 Ų186139.7 Ų139.797%0.97479%0.787SS**  trans-66.796.8164.6-84.5154.4000109.8Y87Y87-L89 PolarHBondContact O-N 3.19Å
90C44.5Very low44.5Very low116 Ų116139.2 Ų139.278%0.78479%0.786SS**  trans-100.1114.7165.9-78.30000110.5S88S88-C90 PolarHBondContact O-N 3.02Å
91G37.8Very low44.1Very low70 Ų70139.4 Ų139.472%0.72279%0.787SS**  trans58.5105.814100000118.7S93G91-S93 PolarHBondContact O-N 3.16Å
92D49.1Very low43.6Very low147 Ų147139.8 Ų139.879%0.78679%0.79SS**  trans-40.1131.3151.6177.422.3000112.3
93S41.4Very low43.8Very low111 Ų111139.1 Ų139.178%0.77680%0.797SS**  trans-160.386.5169.8-78.90000110.4G91G91-S93 PolarHBondContact O-N 3.16Å
94R49.4Very low42.8Very low222 Ų222138 Ų13884%0.83880%0.795SS**  trans-56.4135.4163.6-74.7174.6166.5170.7-4.2110.6Q96R94-Q96 PolarHBondContact O-N 3.5Å; R94-Q96 VanDerWaalsContact O-N 3.16Å
95P44.7Very low41.9Very low130 Ų130140.7 Ų140.784%0.84481%0.808SS**  trans-73.2106.3168.728.9-32.1000110.6
96Q42.1Very low41.4Very low187 Ų187142.2 Ų142.287%0.87482%0.815SS**PPolyproline II helixtrans-72.6144.2162.5-85.3-178.3-47.700110.4R94R94-Q96 PolarHBondContact O-N 3.5Å; R94-Q96 VanDerWaalsContact O-N 3.16Å
97S37.3Very low40.7Very low109 Ų109139.7 Ų139.776%0.76281%0.808SS**PPolyproline II helixtrans-67.1146173.7-62.10000111.7V99S97-V99 PolarHBondContact O-N 2.96Å
98P40.8Very low39.9Very low132 Ų132135.6 Ų135.686%0.85781%0.81SS**PPolyproline II helixtrans-76.8121.1-178.628.9-31000111.3
99V34Very low39.1Very low116 Ų116138.3 Ų138.370%0.70382%0.816SS**PPolyproline II helixtrans-90.8128.2169.8-170.20000108.7S97 H101S97-V99 PolarHBondContact O-N 2.96Å; V99-H101 PolarHBondContact O-N 3.06Å
100S36.8Very low38.8Very low118 Ų118134.2 Ų134.283%0.82581%0.809SS**  trans-74.5115.4177.1-58.10000111
101H35.4Very low38.4Very low167 Ų167138 Ų13877%0.77382%0.815SS**  trans-108.4118.9166.5-73.1-82.3000110.3V99V99-H101 PolarHBondContact O-N 3.06Å
102L36.3Very low38.4Very low161 Ų161140 Ų14084%0.84382%0.818SS**PPolyproline II helixtrans-81.5151.6160.6-66172.3000108.7
103P46Very low37.7Very low119 Ų119140.1 Ų140.177%0.77382%0.819SS**PPolyproline II helixtrans-69.4140.5178.530.1-34.3000110.6
104G33.2Very low37.4Very low77 Ų77137.8 Ų137.879%0.79481%0.812SS**PPolyproline II helixtrans-92145.2-179.800000112.8
105E33.4Very low36.6Very low186 Ų186135.6 Ų135.687%0.86981%0.812SS**  trans-131122.7172.5-57.4-165.9168.500110
106Q34.7Very low35.9Very low196 Ų196135.8 Ų135.892%0.91681%0.805SS**  trans15.8120.9160.1-130.574.321.100121.8
107G32.5Very low35.3Very low65 Ų65136.9 Ų136.967%0.6780%0.802SS**  114.4142.6114.200000121.6
108S31.6Very low34.8Very low124 Ų124136.7 Ų136.787%0.86780%0.801SS**  trans74.5141.4155.153.20000121.8
109D36.3Very low34.2Very low165 Ų165137 Ų13788%0.88279%0.794SS**  trans-76.9151.7-178-41.4-96.1000113.9
110A37.1Very low34Very low101 Ų101139.5 Ų139.584%0.83580%0.798SS**  trans-163.5136.8149.100000111.5
111E37.1Very low33.6Very low196 Ų196142.3 Ų142.392%0.91680%0.798SS**  trans-80.2-170.5163.5-60.5-179.5108.900111.2
112S37.8Very low33.4Very low110 Ų110142.1 Ų142.177%0.76980%0.798SS**  trans94100.3-179.8-156.60000112.5
113D33.9Very low33.1Very low150 Ų150141.9 Ų141.980%0.80279%0.792SS**  76.113064.1-163.425.8000112.5
114G34.8Very low32.1Very low63 Ų63143.6 Ų143.665%0.64979%0.79SS**  trans148.170.5-167.100000115.7
115E32.2Very low31.9Very low176 Ų176147.5 Ų147.582%0.82279%0.789SS**  30.4128.9122.9-43.7177.9170.400116.7
116D30.1Very low31.7Very low133 Ų133145.6 Ų145.671%0.71178%0.781SS**  -171.2173.952.6-156.640.9000112.6
117W29.4Very low31.3Very low210 Ų210143 Ų14380%0.79578%0.778SS**  trans-45.6153.9-169.1-5193.4000118.5
118S27.2Very low31.4Very low106 Ų106147 Ų14774%0.74178%0.783SS**  52.7147.454.9-52.10000112.6
119L28.5Very low31.3Very low137 Ų137149 Ų14972%0.71778%0.783SS**  cis-157.7155.3-1.9-176.475.7000105.3
120E29.9Very low31.1Very low170 Ų170147.4 Ų147.479%0.79478%0.783SS**  trans50.5130.9158.5-78.6161.3176.200121.5
121Q28.6Very low30.8Very low177 Ų177150.1 Ų150.183%0.82778%0.784SS**  171.5156.7104.8-169.4156.320.300111.8
122E30.1Very low31Very low162 Ų162145.9 Ų145.976%0.75777%0.773SS**  trans-54.1158.5170.5-57.4144.5124.800111.8
123E30.1Very low31.4Very low156 Ų156146.7 Ų146.773%0.72978%0.776SS**  -176167.859.8-140.9-175.4154.600112.6
124Q26.3Very low31.2Very low156 Ų156144.1 Ų144.173%0.72978%0.776SS**  trans51.7117.9152.7-80.7164.728.900123
125M29.3Very low31.1Very low158 Ų158149.1 Ų149.178%0.77879%0.786SS**  -151.691.8127.1-168.290.1-86.900111.9
126E28.3Very low31.4Very low147 Ų147148.8 Ų148.869%0.68779%0.789SS**  trans26.4109140.6-130.3171.3176.200120
127V27.3Very low31.7Very low142 Ų142148.2 Ų148.286%0.86179%0.793SS**  trans-103.3111.2161.3173.70000108.6L129V127-L129 PolarHBondContact O-N 3.07Å
128L33.3Very low31.5Very low147 Ų147143.9 Ų143.977%0.7779%0.79SS**  trans-73.7124.6-179.4-80.9165.8000112.4
129L31Very low31.6Very low168 Ų168147.2 Ų147.288%0.8880%0.799SS**  trans-71.8139.7167.2-78.9149.2000111V127V127-L129 PolarHBondContact O-N 3.07Å
130C30.7Very low31.6Very low130 Ų130146.6 Ų146.688%0.87880%0.801SS**  trans-129.4121.3162.6-93.50000109.8
131D31Very low31.5Very low159 Ų159146.8 Ų146.885%0.8581%0.806SS**PPolyproline II helixtrans-86.6139.5-172.2-145.23.1000111.7
132P42Very low31.5Very low106 Ų106143.4 Ų143.469%0.68880%0.802SS**PPolyproline II helixtrans-100.5126.817134.3-27.5000112.1
133P45.3Very low31.4Very low128 Ų128143.3 Ų143.383%0.83181%0.806SS**PPolyproline II helixtrans-74.8130.3179.929.6-34000112.4
134A30.7Very low31.6Very low96 Ų96140 Ų14079%0.79381%0.805SS**PPolyproline II helixtrans-82131.9174.600000112.3
135L32.9Very low32.6Very low167 Ų167138 Ų13887%0.87481%0.805SS**  trans-146.6101.3164.6-73.8179.8000110.5
136L37.1Very low32.6Very low169 Ų169139.2 Ų139.289%0.88581%0.809SS**  trans-141.6142.1161.4-73.2180000109.4
137P36.3Very low32.7Very low122 Ų122135.5 Ų135.579%0.79281%0.81SS**  trans-87.7140.8-175.733.8-34.1000113.4
138T25.8Very low32.8Very low119 Ų119137 Ų13773%0.7381%0.808SS**  trans-72.3134.7174.4-52.20000112.1
139L29.8Very low32.8Very low176 Ų176136.9 Ų136.992%0.92181%0.806SS**  trans-114.2123.9155.3-71.2179.6000108.9
140T28.6Very low32.7Very low123 Ų123134.6 Ų134.676%0.75580%0.8SS**  trans-99.8130.1-176.1-49.20000110.1
141L27.3Very low32.6Very low175 Ų175137.2 Ų137.292%0.91680%0.799SS**  trans-138.8112.8167.7-124.4155000108.1
142S28.2Very low32.7Very low105 Ų105133.5 Ų133.573%0.73479%0.79SS**  trans-108.9147.9-174.8179.40000109.9
143L27.7Very low32.8Very low160 Ų160134.8 Ų134.884%0.83880%0.798SS**  trans-146.1126.7175.6-149.881.7000113.2
144A34.5Very low32.1Very low86 Ų86133 Ų13371%0.71179%0.794SS**  trans70.6161157.300000117.5
145P47.9Very low33.4Very low114 Ų114134 Ų13474%0.7479%0.793SS**  cis-142.6-173.716.146-27.5000118.8
146E29.4Very low34.2Very low185 Ų185131.9 Ų131.986%0.86479%0.789SS**  trans76135.3156.7-67.9-82.696.600121.2
147G29.3Very low34.2Very low68 Ų68128.3 Ų128.370%0.70178%0.784SS**  trans156.552.6164.800000123.7
148H30.9Very low34.7Very low175 Ų175128.7 Ų128.781%0.8179%0.786SS**  trans58138.9139.4-101.5-96.3000126
149I32Very low35.1Very low143 Ų143132.5 Ų132.573%0.73379%0.793SS**  trans96.3106144.9-62.9160.8000121.9
150T30Very low35.8Very low121 Ų121130.3 Ų130.374%0.74279%0.789SS**  48.5123.7129.3-43.50000123.1
151E28.2Very low35.8Very low185 Ų185131.6 Ų131.686%0.86479%0.791SS**  174.3155.998.8-158.8162.6159.500112.2
152A32.3Very low36.7Very low81 Ų81127.1 Ų127.167%0.66977%0.773SS**  trans-126158176.800000110.4
153P44.1Very low36.8Very low132 Ų132130.1 Ų130.186%0.85778%0.775SS**  -151.9173.893.637-17.6000116.6
154A31.5Very low36.9Very low90 Ų90128.7 Ų128.774%0.74477%0.773SS**  trans-118.2-162.3172.200000109.8
155P58.8Low36.6Very low118 Ų118128.6 Ų128.677%0.76677%0.772SS**  cis-120.3-145.5-25.240.4-20000109.3
156P48.7Very low35.7Very low123 Ų123129.4 Ų129.480%0.79978%0.775SS**  cis-143.8177.848.739.7-17.6000117.2
157A36.3Very low35.6Very low93 Ų93129.9 Ų129.977%0.76978%0.778SS**  trans-133.5160.9163.900000109.9
158P47.2Very low35.5Very low130 Ų130130 Ų13084%0.84478%0.778SS**  -145.1176.2125.629.6-9.1000116.9
159K35.3Very low35.4Very low200 Ų200131.5 Ų131.587%0.8778%0.782SS**  trans-87.2-172.3-168.6-59.4176.1176.4174.50112.2
160P44.8Very low35.3Very low130 Ų130129.2 Ų129.284%0.84479%0.785SS**  cis-148.5-168.11943-18.2000120.5
161N28.7Very low35.2Very low149 Ų149129.1 Ų129.180%0.79779%0.789SS**  trans-77.7-167.3-173-142.219.8000113.8
162P45.3Very low35.4Very low82 Ų82129.9 Ų129.953%0.53279%0.79SS.*  cis-147.3173.33.643.9-22.8000121.2
163Q31.1Very low35.3Very low168 Ų168130 Ų13079%0.78579%0.791SS**  trans68.3162.7147.8-72.1156.8-36.800120.6
164T29.3Very low34.5Very low130 Ų130132.4 Ų132.480%0.79879%0.788SS**  cis-161.6153.7-4.36.70000116.1
165A28.4Very low34.4Very low83 Ų83134.9 Ų134.969%0.68678%0.784SS**  trans57.4126.1139.200000128.5
166T28.4Very low33.1Very low132 Ų132137.1 Ų137.181%0.8179%0.788SS**  trans74.8132.313250.60000128.6
167Q27.9Very low32.2Very low195 Ų195134.7 Ų134.791%0.91179%0.785SS**  trans67.1127.9145.4-70.5-163.822.700125.5
168G27.5Very low31.9Very low69 Ų69139.7 Ų139.771%0.71179%0.793SS**  109.6114.4103.900000123.9
169K28.5Very low31.1Very low207 Ų207140.6 Ų140.690%0.979%0.789SS**  trans68.8112142.5-69.2-177.7176.3177.30124.5
170A28.6Very low30.8Very low95 Ų95140.6 Ų140.679%0.78579%0.792SS**  51.2154.1108.900000125.4
171S29.3Very low30.5Very low119 Ų119141.4 Ų141.483%0.83279%0.788SS**  trans120155.5161.870.40000113.8
172K31.1Very low30.6Very low201 Ų201144.2 Ų144.287%0.87479%0.792SS**  cis-164.4171.5-7.1-120-169171.1-175.50105.8
173A30.5Very low30.4Very low85 Ų85147.5 Ų147.570%0.70281%0.805SS**  cis-175.9144.7-37.600000108.8
174K28.3Very low30.6Very low182 Ų182148.3 Ų148.379%0.79181%0.809SS**  trans-165.3143.8168.4-149.8170.5-174.6179.90111.2
175E28Very low31.2Very low142 Ų142146.8 Ų146.866%0.66480%0.801SS**  cis-166.4135.4-28-175.5159.8-88.500110.4
176I32.7Very low32Very low165 Ų165150.2 Ų150.285%0.84680%0.803SS**  trans29.3124.4159.7-51.1167.1000120.8
177G29.3Very low32.7Very low71 Ų71152.5 Ų152.573%0.73280%0.804SS**  trans-157.4137.7157.900000110.6
178E28.9Very low33.4Very low199 Ų199148.2 Ų148.293%0.9379%0.791SS**  trans-63.8169.3-158.2-64.4170.9132.900118.9
179I31.8Very low34.1Very low149 Ų149152.4 Ų152.476%0.76480%0.797SS**  trans-103.7139.8-173.5-59.5165.1000111.1I181I179-I181 HydrophobicContact CG2-CG1 4.48Å
180Q28.4Very low34.7Very low200 Ų200151.4 Ų151.494%0.93580%0.795SS**  trans-150.7127.1145-115.6174.232.200111.9
181I37.6Very low35.2Very low147 Ų147156 Ų15675%0.75480%0.798SS**  trans-107.9133174.8-63.5169000107.5I179I179-I181 HydrophobicContact CG2-CG1 4.48Å
182K32Very low35.7Very low207 Ų207157.8 Ų157.890%0.980%0.797SS**  trans-136.7128.2166.2-165.5168.4-177.9-179.80109.6
183L41.2Very low35.8Very low151 Ų151155.2 Ų155.279%0.79179%0.794SS**  trans-101.1171.4176.4-77.8162.3000110.3
184E34.6Very low36Very low186 Ų186159.4 Ų159.487%0.86980%0.803SS**  trans73.9154.2176.8-83.7-159.5113.100118.9
185P42.8Very low36.1Very low97 Ų97156.1 Ų156.163%0.6380%0.803SS**  cis-132.3-174.5-19.132.2-11.8000114.1
186H45.8Very low36.9Very low156 Ų156154.4 Ų154.472%0.72280%0.804SS**  trans-84.8123.4173.4170.882.8000110.8V188H186-V188 WeakPolarHBondContact NE2-CG2 3.29Å
187E41.4Very low37Very low179 Ų179157 Ų15784%0.83681%0.809SS**  trans-126.2102169.3-75.2-171.8172.700111
188V42.5Very low37.2Very low106 Ų106157.4 Ų157.464%0.64281%0.813SS**  trans-98.982.5162.6-76.80000108.7H186H186-V188 WeakPolarHBondContact NE2-CG2 3.29Å
189D42.3Very low37.7Very low157 Ų157156.3 Ų156.384%0.8481%0.813SS**  trans-173.270.6161.3-103.3-25.9000112.6
190Q41.2Very low38Very low185 Ų185158.3 Ų158.386%0.86482%0.819SS**  trans-133.130.4162.9-155.1166.9100.200112.7
191F39.4Very low38.5Very low191 Ų191154.1 Ų154.184%0.83881%0.812SS**  trans-120.585.6167.3-63.9-81.2000108.6
192L39.4Very low38.5Very low157 Ų157155.6 Ų155.682%0.82282%0.82SS**SBendtrans166.1135.4148.5-90158.7000110.8
193N32.7Very low39.1Very low148 Ų148154.5 Ų154.579%0.79182%0.818SS**  trans74.1129.1-178.8-47.8-77.9000114.2
194L34.7Very low39.4Very low173 Ų173154.8 Ų154.891%0.90682%0.817SS**  cis-129.8159.933.3-69.6163.3000114.7
195S30.4Very low39.9Very low112 Ų112150.8 Ų150.878%0.78381%0.808SS**  trans-94.1-171.7178.8-150.10000111.7
196P45.6Very low40.3Very low106 Ų106152.2 Ų152.269%0.68882%0.817SS**  -113.1154.3-112.934-16.6000114.4
197K35.8Very low40.2Very low220 Ų220151.1 Ų151.196%0.95782%0.821SS**  trans-173.2133.7160.2-100137.9-171.9178.80111.2
198G32.2Very low40.6Very low79 Ų79148 Ų14881%0.81482%0.817SS**  trans130.3102.4166.400000113.8
199L40Very low41Very low176 Ų176148.7 Ų148.792%0.92182%0.823SS**  trans-65.3131.1164.8-79.7146.6000110.1
200E37.2Very low40.6Very low192 Ų192146.9 Ų146.990%0.89782%0.823SS**  -164.8129118.7-108.6-179.7172.700110.7
201S39.1Very low40.5Very low111 Ų111143.8 Ų143.878%0.77682%0.822SS**PPolyproline II helixtrans-81.3119-179.452.50000110.8Q203S201-Q203 PolarHBondContact O-N 3.41Å; S201-Q203 VanDerWaalsContact O-N 3.16Å
202L38.5Very low40.5Very low178 Ų178143 Ų14393%0.93282%0.82SS**PPolyproline II helixtrans-59118.2170.9-76.2165.9000110.2
203Q43.4Very low40.4Very low184 Ų184138.3 Ų138.386%0.8681%0.81SS**PPolyproline II helixtrans-86.7119.4-168-176.4169-11.400111.8S201S201-Q203 PolarHBondContact O-N 3.41Å; S201-Q203 VanDerWaalsContact O-N 3.16Å
204M49Very low41.1Very low157 Ų157136.3 Ų136.377%0.77381%0.808SS**PPolyproline II helixtrans-68.1151.1172-74.2-69-74.800111.8
205P44.8Very low41.5Very low103 Ų103135.7 Ų135.767%0.66981%0.805SS**PPolyproline II helixtrans-65.7144.817927.5-35.2000112.1T207P205-T207 PolarHBondContact O-N 2.88Å
206P51Low42.3Very low127 Ų127135.9 Ų135.983%0.82581%0.806SS**PPolyproline II helixtrans-71.2126.6-177.428.1-34.3000112.2
207T43.9Very low42.4Very low132 Ų132140.5 Ų140.581%0.8182%0.819SS**PPolyproline II helixtrans-71144.4169.227.70000111.8P205P205-T207 PolarHBondContact O-N 2.88Å
208P49.1Very low42.6Very low114 Ų114133.6 Ų133.674%0.7481%0.81SS**PPolyproline II helixtrans-74.1145.1176.930.5-34.6000111.8
209P52.1Low43.1Very low121 Ų121135 Ų13579%0.78681%0.807SS**PPolyproline II helixtrans-73.2133.3179.428.9-34000112.4
210S33.3Very low43Very low118 Ų118135 Ų13583%0.82580%0.803SS**PPolyproline II helixtrans-75.9134.8173.2-172.30000111.2H212S210-H212 PolarHBondContact O-N 3.37Å
211S38.6Very low42.9Very low120 Ų120130.9 Ų130.984%0.83980%0.795SS**  trans-91.596174.7-39.50000110.3
212H40.3Very low43.5Very low175 Ų175131.3 Ų131.381%0.8180%0.795SS**  trans-94.498.8167.1-159.334.4000109.1S210S210-H212 PolarHBondContact O-N 3.37Å
213G36.6Very low43.4Very low58 Ų58128.4 Ų128.460%0.59878%0.784SS**  trans-71.5124.7167.300000109.3
214S46.9Very low43Very low107 Ų107128.3 Ų128.375%0.74878%0.783SS**  trans-116.798.4175-165.80000107.8S216S214-S216 PolarHBondContact O-N 2.98Å
215D43.1Very low42.2Very low159 Ų159124.6 Ų124.685%0.8578%0.778SS**  trans-86.3108.6-176.6-54.2-35.3000108.8
216S47.5Very low41.7Very low116 Ų116125 Ų12581%0.81178%0.783SS**  trans-109.1113.1175.7-165.50000109.7S214 G218S214-S216 PolarHBondContact O-N 2.98Å; S216-G218 PolarHBondContact O-N 2.89Å; S216-G218 VanDerWaalsContact O-N 3.08Å
217E47.2Very low41.1Very low204 Ų204125.2 Ų125.295%0.95378%0.782SS**  trans-73.698.6179.8-67.9-159.4116.200111.1
218G40.3Very low41.7Very low74 Ų74124.3 Ų124.376%0.76378%0.779SS**  trans-111100.3171.500000111.4S216S216-G218 PolarHBondContact O-N 2.89Å; S216-G218 VanDerWaalsContact O-N 3.08Å
219S44.1Very low40.9Very low109 Ų109128.1 Ų128.176%0.76279%0.787SS**  trans-67139.2177.953.60000113.4
220Q37.1Very low39.8Very low177 Ų177127.7 Ų127.783%0.82779%0.786SS**  172.2143.9128.9-87.6-53.8-16.200110.7
221S34.2Very low40.9Very low105 Ų105127.5 Ų127.573%0.73478%0.782SS**  trans-107179.2164.2-76.20000108.2
222P53.1Low40.5Very low119 Ų119127.7 Ų127.777%0.77378%0.783SS**  cis-145.1-163.917.328.9-0.8000116.6
223V36.5Very low40.2Very low117 Ų117125.6 Ų125.671%0.70978%0.783SS**  trans107.5107.8149.1-1770000119.5
224H35.5Very low40.6Very low182 Ų182128.4 Ų128.484%0.84379%0.791SS**  trans40.8148136.3-65.5-96.2000121.8
225A32.3Very low39.8Very low80 Ų80129 Ų12966%0.66180%0.795SS**  cis-162169.910.500000112.7
226S33.1Very low39.3Very low110 Ų110127 Ų12777%0.76979%0.793SS**  trans48.1141.7144.3-59.90000121.4
227T39.4Very low39.6Very low133 Ų133127 Ų12782%0.81679%0.791SS**  cis-167.1174.412.29.40000109.7
228P55.7Low38.8Very low113 Ų113125.3 Ų125.373%0.73479%0.788SS**  trans-114.9170.3-157.342.7-36.9000117.6
229Q31.3Very low38.5Very low194 Ų194126.9 Ų126.991%0.90779%0.787SS**  trans-168.8155139.7-112.61706.500115.2
230S29.9Very low38.8Very low111 Ų111127.8 Ų127.878%0.77679%0.79SS**  trans-125.2-163.2175.6-32.70000108.8
231P57.1Low38.6Very low115 Ų115123.7 Ų123.775%0.74779%0.786SS**  cis-123-174.1-49.937.3-21.9000111.4
232S29.2Very low39.3Very low123 Ų123124 Ų12486%0.8679%0.786SS**  trans178.6140.2140-820000114.4
233T33.8Very low38.3Very low132 Ų132123.1 Ų123.181%0.8178%0.782SS**  trans-111165.1162.858.50000108.8
234P45Very low38.3Very low117 Ų117126.2 Ų126.276%0.7679%0.789SS**  -156.3153.687.538.4-17.5000119
235S30.2Very low38.1Very low120 Ų120122.4 Ų122.484%0.83979%0.789SS**  trans36.3141.2138.2-51.80000126.9
236S32.2Very low38.1Very low115 Ų115121.6 Ų121.680%0.80479%0.788SS**  trans-53.1-169.6169.8-32.40000117.6
237P54.5Low38.1Very low118 Ų118123.7 Ų123.777%0.76679%0.79SS**  cis-143-173.75.943.8-23.7000117.8
238L30.7Very low37.9Very low168 Ų168125.8 Ų125.888%0.8879%0.788SS**  150.5144.1127.3-16066.5000113.9
239S34.3Very low37Very low106 Ų106127.5 Ų127.574%0.74180%0.796SS**  trans-106.9171.1176.9-41.10000111.5
240P49.2Very low37.1Very low129 Ų129123.8 Ų123.884%0.83879%0.791SS**  -149.3-177.769.937-14.6000116.7
241A32.7Very low37.3Very low90 Ų90127.1 Ų127.174%0.74480%0.795SS**  trans-96.4-179.3174.100000112.2
242P48.7Very low36.3Very low112 Ų112132.8 Ų132.873%0.72780%0.801SS**  -157.7175.878.840.4-19.4000119.1
243S32.7Very low36.9Very low100 Ų100133 Ų13370%0.69980%0.798SS**  trans66.7147.6148.756.80000121.2
244Q37.3Very low37.1Very low183 Ų183133 Ų13386%0.85580%0.799SS**  cis-164.4155.8-10.7-116.3-164.190.500110.9
245A31.3Very low36.7Very low101 Ų101132.9 Ų132.984%0.83580%0.802SS**  trans54.5148.9157.800000120.5
246G31.1Very low37.3Very low63 Ų63132.3 Ų132.365%0.64980%0.798SS**  cis159.6153.6-9.400000112.2
247L34Very low37.7Very low155 Ų155135 Ų13581%0.81280%0.802SS**  trans71142.3160.9-50.3176.4000117.1
248K34.8Very low37Very low177 Ų177135 Ų13577%0.7781%0.805SS**  cis-155.1143.6-18.2-76.9142.9-162.4-68.10105.8
249V36.5Very low37.5Very low148 Ų148134.1 Ų134.190%0.89780%0.801SS**  trans-131.1135.7160170.80000109.3
250S33.7Very low37.5Very low116 Ų116133.8 Ų133.881%0.81180%0.799SS**  trans-82.2146.5-171.5-163.70000112.8
251Q34.6Very low37.2Very low181 Ų181133.8 Ų133.885%0.84680%0.799SS**  trans-85.8137.8178.3-59.3169.8-41.700111.1
252R35.6Very low37.9Very low235 Ų235136.5 Ų136.589%0.88780%0.8SS**  trans-148.4112.1144.2-82.4-159.5-77.3-175.9-1.5111.6
253T42Very low37.9Very low127 Ų127138.6 Ų138.678%0.77980%0.804SS**  trans30.6127.6148.457.80000120.6
254P38.2Very low38.6Very low131 Ų131140.4 Ų140.485%0.85181%0.811SS**  -105.2156.9117.631.7-34.3000112.3
255S36.8Very low38.3Very low116 Ų116136 Ų13681%0.81181%0.806SS**  trans-62.2145-171.435.10000115.1L257S255-L257 PolarHBondContact O-N 3.3Å
256S42.3Very low39Very low107 Ų107137.3 Ų137.375%0.74881%0.806SS**SBendtrans-52129.2169.4-175.20000112.2
257L40.6Very low39.5Very low171 Ų171141.8 Ų141.890%0.89581%0.81SS**  trans-177.5-4.7148.9-100.8-177.6000113.2S255S255-L257 PolarHBondContact O-N 3.3Å
258S40.1Very low39.7Very low118 Ų118142.5 Ų142.583%0.82581%0.806SS**  trans-100.139.5-177.7-172.70000115
259N40.2Very low40.4Very low151 Ų151141.9 Ų141.981%0.80781%0.811SS**  trans-103.572.1172.9-78.4-12.3000111.6
260S36Very low41Very low99 Ų99143.8 Ų143.869%0.69281%0.81SS**  trans-11596.2162.1-78.50000109L262S260-L262 PolarHBondContact O-N 3.36Å
261P41.5Very low41Very low128 Ų128141.1 Ų141.183%0.83180%0.8SS**THydrogen-bonded Turntrans-79.330.7-169.234.2-37.7000113.9
262L48.7Very low41.6Very low148 Ų148138 Ų13878%0.77580%0.799SS**THydrogen-bonded Turntrans-111.4-1.9-169.6-81.8168.5000115.4S260S260-L262 PolarHBondContact O-N 3.36Å
263L47.6Very low42.1Very low156 Ų156128.2 Ų128.282%0.81777%0.77SS**SBendtrans-108.97.1-174.4-62.6-176.1000115.8
264T47.6Very low42.2Very low138 Ų138127 Ų12785%0.84776%0.764SS**  trans-135.679.1178.7-48.20000112.6
265A31.5Very low42.8Very low89 Ų89123.2 Ų123.274%0.73674%0.737SS**  trans-154.398.3164.500000111.7H267A265-H267 VanDerWaalsContact C-N 3.33Å; A265-H267 PolarHBondContact O-N 3.38Å
266P45.6Very low43.3Very low129 Ų129125.4 Ų125.484%0.83874%0.736SS**  trans-9154.1178.537-35000112.1
267H41.8Very low43.9Very low158 Ų158121.5 Ų121.573%0.73171%0.707SS**  trans-159157.5170.5-146.2-136.7000113.4A265A265-H267 VanDerWaalsContact C-N 3.33Å; A265-H267 PolarHBondContact O-N 3.38Å
268K38.2Very low44.9Very low170 Ų170117.9 Ų117.974%0.73969%0.692SS**  trans80.356.3177.5-51.4-62.4-172.8175.70117.6Q270K268-Q270 PolarHBondContact O-N 2.85Å
269L48.9Very low45.9Very low164 Ų164115.9 Ų115.986%0.85967%0.67SS**  trans-70.773.9148.2-77.1173.5000110.5
270Q48.6Very low46.7Very low188 Ų188113.3 Ų113.388%0.87965%0.653SS**  trans-156.481.3167.1-152.9163.24.200111.4K268K268-Q270 PolarHBondContact O-N 2.85Å
271G34.3Very low48.1Very low59 Ų59109.6 Ų109.661%0.60862%0.624SS**  trans177.2122.6177.200000111.1G273G271-G273 PolarHBondContact O-N 3.44Å; G271-G273 VanDerWaalsContact O-N 3.15Å
272S46.6Very low49.2Very low117 Ų117108.6 Ų108.682%0.81860%0.604SS**  trans-69.7104.4166.6178.10000108.2
273G47.5Very low50Low28 Ų28109.3 Ų109.329%0.28960%0.597SS.*  trans-147.1156.617800000111G271G271-G273 PolarHBondContact O-N 3.44Å; G271-G273 VanDerWaalsContact O-N 3.15Å
274P44.6Very low50.8Low101 Ų101103.5 Ų103.566%0.65657%0.568SS**  trans-60.7136.8176.8-21.433.4000111.3M276P274-M276 PolarHBondContact O-N 3.45Å
275L50.3Low51.8Low52 Ų5297.1 Ų97.127%0.27253%0.528SS..  trans-70.5113.8173.2-162.776.7000108.7L277 L296 L298 L306L275-L277 HydrophobicContact CD2-CD1 4.21Å; L275-L277 HydrophobicContact CD2-CD2 4.04Å; L275-L277 HydrophobicContact CD2-CG 3.89Å; L275-L277 HydrophobicContact CG-CG 4.4Å; L275-L277 PolarHBondContact O-N 3.49Å; L275-L296 HydrophobicContact CD1-CD2 4.18Å; L275-L298 HydrophobicContact CB-CD1 4.48Å; L275-L298 HydrophobicContact CD1-CD1 3.92Å; L275-L298 HydrophobicContact CD2-CD1 3.61Å; L275-L298 HydrophobicContact CD2-CD2 3.93Å; L275-L298 HydrophobicContact CD2-CG 4.4Å; L275-L298 HydrophobicContact CG-CD1 4.2Å; L275-L306 HydrophobicContact CD2-CD2 4.32Å
276M46.3Very low53.4Low162 Ų16296.9 Ų96.980%0.79852%0.518SS*.  trans-72.276.9174.4-68.7-64.6-68.200110.2P274P274-M276 PolarHBondContact O-N 3.45Å
277L55.6Low54.7Low26 Ų2695 Ų9514%0.13651%0.513CS..  trans-74.5129.6161.9-70.8167.9000108.3L275 E281 V292 L306L275-L277 HydrophobicContact CD2-CD1 4.21Å; L275-L277 HydrophobicContact CD2-CD2 4.04Å; L275-L277 HydrophobicContact CD2-CG 3.89Å; L275-L277 HydrophobicContact CG-CG 4.4Å; L275-L277 PolarHBondContact O-N 3.49Å; L277-E281 HydrophobicContact CB-CB 4.36Å; L277-E281 HydrophobicContact CD2-CB 4.1Å; L277-V292 HydrophobicContact CD1-CG1 4.38Å; L277-L306 HydrophobicContact CD2-CD1 3.43Å; L277-L306 VanDerWaalsContact CD2-CD1 3.43Å; L277-L306 HydrophobicContact CD2-CD2 3.79Å; L277-L306 HydrophobicContact CD2-CG 4.27Å
278T62.1Low55.8Low95 Ų9591.3 Ų91.358%0.58350%0.496SS*.  trans-60.9147.2170.9-27.70000108.8E280 E281 R282T278-E280 PolarHBondContact O-N 3.4Å; T278-E281 PolarHBondContact N-OE2 2.97Å; T278-E281 WeakPolarHBondContact O-CA 3.41Å; T278-E281 WeakPolarHBondContact O-CB 3.4Å; T278-E281 PolarHBondContact O-N 3.49Å; T278-E281 PolarHBondContact OG1-OE2 2.9Å; T278-R282 PolarHBondContact O-N 3.49Å
279E59.5Low56.7Low76 Ų7686.4 Ų86.436%0.35549%0.494SS..Hα-helixtrans-55.4-31.5-175.1175.260.7-17500113R282 R283E279-R282 VanDerWaalsContact CD-NH2 3.31Å; E279-R282 PolarHBondContact O-N 3.36Å; E279-R282 IonicContact OE1-CZ 2.86Å; E279-R282 IonicContact OE1-NH2 2.63Å; E279-R282 PolarHBondContact OE1-NH2 3.05Å; E279-R282 IonicContact OE2-CZ 3.25Å; E279-R282 VanDerWaalsContact OE2-CZ 3.27Å; E279-R282 IonicContact OE2-NE 2.75Å; E279-R282 PolarHBondContact OE2-NE 2.81Å; E279-R282 IonicContact OE2-NH2 2.63Å; E279-R282 PolarHBondContact OE2-NH2 3.04Å; E279-R283 VanDerWaalsContact O-CG 3.29Å; E279-R283 WeakPolarHBondContact O-CG 3.12Å; E279-R283 PolarHBondContact O-N 3.46Å; E279-R283 IonicContact OE1-CZ 3.01Å; E279-R283 VanDerWaalsContact OE1-CZ 3.25Å; E279-R283 IonicContact OE1-NE 2.76Å; E279-R283 PolarHBondContact OE1-NE 2.89Å; E279-R283 IonicContact OE1-NH2 4Å; E279-R283 PolarHBondContact OE1-NH2 3.49Å
280E57.1Low57.1Low97 Ų9783.1 Ų83.145%0.45347%0.47SS..Hα-helixtrans-69.5-37.3172.8-171.9175.3-162.300113.6T278 T284T278-E280 PolarHBondContact O-N 3.4Å; E280-T284 WeakPolarHBondContact O-CB 3.47Å; E280-T284 PolarHBondContact O-N 2.71Å; E280-T284 PolarHBondContact O-OG1 3.11Å
281E66Low57.4Low20 Ų2078.9 Ų78.99%0.09346%0.459CS..Hα-helixtrans-65.1-43.8173-59.3-175.9119.200110.2L277 T278 T284 L285 R310 I313L277-E281 HydrophobicContact CB-CB 4.36Å; L277-E281 HydrophobicContact CD2-CB 4.1Å; T278-E281 PolarHBondContact N-OE2 2.97Å; T278-E281 WeakPolarHBondContact O-CA 3.41Å; T278-E281 WeakPolarHBondContact O-CB 3.4Å; T278-E281 PolarHBondContact O-N 3.49Å; T278-E281 PolarHBondContact OG1-OE2 2.9Å; E281-T284 PolarHBondContact O-N 3.34Å; E281-L285 VanDerWaalsContact O-CB 3.25Å; E281-L285 WeakPolarHBondContact O-CB 3.46Å; E281-L285 PolarHBondContact O-N 2.79Å; E281-R310 WeakPolarHBondContact OE1-CG 3.45Å; E281-R310 IonicContact OE1-CZ 3.32Å; E281-R310 VanDerWaalsContact OE1-CZ 3.32Å; E281-R310 IonicContact OE1-NE 2.69Å; E281-R310 PolarHBondContact OE1-NE 3.42Å; E281-R310 IonicContact OE1-NH2 3.05Å; E281-R310 PolarHBondContact OE1-NH2 3.08Å; E281-R310 IonicContact OE2-NH2 3.53Å; E281-I313 HydrophobicContact CG-CD1 4.28Å
282R65.6Low58.4Low108 Ų10878.2 Ų78.241%0.40844%0.443SS..Hα-helixtrans-60-48.7177.4-168.6-178.772.695.62111.7T278 E279 L285 V286 V292T278-R282 PolarHBondContact O-N 3.49Å; E279-R282 VanDerWaalsContact CD-NH2 3.31Å; E279-R282 PolarHBondContact O-N 3.36Å; E279-R282 IonicContact OE1-CZ 2.86Å; E279-R282 IonicContact OE1-NH2 2.63Å; E279-R282 PolarHBondContact OE1-NH2 3.05Å; E279-R282 IonicContact OE2-CZ 3.25Å; E279-R282 VanDerWaalsContact OE2-CZ 3.27Å; E279-R282 IonicContact OE2-NE 2.75Å; E279-R282 PolarHBondContact OE2-NE 2.81Å; E279-R282 IonicContact OE2-NH2 2.63Å; E279-R282 PolarHBondContact OE2-NH2 3.04Å; R282-L285 PolarHBondContact O-N 2.92Å; R282-V286 WeakPolarHBondContact O-CG2 3.33Å; R282-V286 PolarHBondContact O-N 3.3Å; R282-V286 VanDerWaalsContact O-N 3.12Å; R282-V292 HydrophobicContact CG-CG1 3.92Å; R282-V292 HydrophobicContact CG-CG2 4.11Å
283R64.1Low58.9Low163 Ų16373.1 Ų73.162%0.61541%0.407SS*.Hα-helixtrans-61.1-44177.3-73.2175-170.2-166.14.1112.4E279 L285 A287E279-R283 VanDerWaalsContact O-CG 3.29Å; E279-R283 WeakPolarHBondContact O-CG 3.12Å; E279-R283 PolarHBondContact O-N 3.46Å; E279-R283 IonicContact OE1-CZ 3.01Å; E279-R283 VanDerWaalsContact OE1-CZ 3.25Å; E279-R283 IonicContact OE1-NE 2.76Å; E279-R283 PolarHBondContact OE1-NE 2.89Å; E279-R283 IonicContact OE1-NH2 4Å; E279-R283 PolarHBondContact OE1-NH2 3.49Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-L285 PolarHBondContact O-N 3.28Å; R283-A287 WeakPolarHBondContact O-CB 3.46Å; R283-A287 PolarHBondContact O-N 3.3Å
284T66Low59.3Low34 Ų3476.6 Ų76.621%0.20942%0.423CS..Hα-helixtrans-66.4-34.8179-51.30000111.8E280 E281 E288 I309 I313E280-T284 WeakPolarHBondContact O-CB 3.47Å; E280-T284 PolarHBondContact O-N 2.71Å; E280-T284 PolarHBondContact O-OG1 3.11Å; E281-T284 PolarHBondContact O-N 3.34Å; T284-E288 WeakPolarHBondContact O-CB 3.4Å; T284-E288 VanDerWaalsContact O-CG 3.27Å; T284-E288 WeakPolarHBondContact O-CG 3.4Å; T284-E288 PolarHBondContact O-N 2.99Å; T284-I309 HydrophobicContact CG2-CG2 3.78Å; T284-I313 HydrophobicContact CG2-CD1 4.38Å; T284-I313 HydrophobicContact CG2-CG1 4.15Å
285L66.8Low59.4Low4 Ų479.8 Ų79.82%0.02143%0.427CS..Hα-helixtrans-71-40.2-179.4-163.1148000112.1E281 R282 R283 Y290 P291 V292 L306 I309E281-L285 VanDerWaalsContact O-CB 3.25Å; E281-L285 WeakPolarHBondContact O-CB 3.46Å; E281-L285 PolarHBondContact O-N 2.79Å; R282-L285 PolarHBondContact O-N 2.92Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-L285 PolarHBondContact O-N 3.28Å; L285-Y290 WeakPolarHBondContact CD2-O 3.48Å; L285-Y290 PolarHBondContact O-N 3.42Å; L285-Y290 VanDerWaalsContact O-N 3.11Å; L285-P291 WeakPolarHBondContact CD2-O 3.43Å; L285-V292 HydrophobicContact CD2-CG2 4.22Å; L285-L306 HydrophobicContact CD1-CD1 4.45Å; L285-I309 HydrophobicContact CB-CD1 3.68Å; L285-I309 HydrophobicContact CD1-CD1 3.66Å; L285-I309 HydrophobicContact CG-CD1 3.45Å; L285-I309 VanDerWaalsContact CG-CD1 3.45Å
286V67.1Low59.5Low84 Ų8480.1 Ų80.151%0.50943%0.428SS..Hα-helixtrans-64-46.4171.51750000111.6R282 E288 G289 V292R282-V286 WeakPolarHBondContact O-CG2 3.33Å; R282-V286 PolarHBondContact O-N 3.3Å; R282-V286 VanDerWaalsContact O-N 3.12Å; V286-E288 PolarHBondContact O-N 2.88Å; V286-G289 PolarHBondContact O-N 3.19Å; V286-V292 HydrophobicContact CG2-CG2 3.33Å
287A71.9Confident59.9Low89 Ų8978.1 Ų78.174%0.73643%0.427SS*.Hα-helixtrans-63.9-25.7-17800000113.6R283 G289R283-A287 WeakPolarHBondContact O-CB 3.46Å; R283-A287 PolarHBondContact O-N 3.3Å; A287-G289 VanDerWaalsContact C-N 3.31Å
288E64.9Low60.1Low81 Ų8178.1 Ų78.138%0.37943%0.427SS..THydrogen-bonded Turntrans-88.36.3174.9-69.5-91.7157.700113.2T284 V286 Y290 K312T284-E288 WeakPolarHBondContact O-CB 3.4Å; T284-E288 VanDerWaalsContact O-CG 3.27Å; T284-E288 WeakPolarHBondContact O-CG 3.4Å; T284-E288 PolarHBondContact O-N 2.99Å; V286-E288 PolarHBondContact O-N 2.88Å; E288-Y290 VanDerWaalsContact C-N 3.35Å; E288-Y290 HydrophobicContact CB-CD2 3.82Å; E288-Y290 HydrophobicContact CB-CE2 4.08Å; E288-Y290 PolarHBondContact O-N 3.36Å; E288-K312 WeakPolarHBondContact OE1-CD 3.33Å; E288-K312 IonicContact OE1-NZ 2.95Å; E288-K312 PolarHBondContact OE1-NZ 2.94Å; E288-K312 IonicContact OE2-NZ 2.87Å; E288-K312 PolarHBondContact OE2-NZ 3.44Å
289G56.5Low60.5Low67 Ų6776.7 Ų76.769%0.69142%0.421SS*.THydrogen-bonded Turntrans76.714.2176.400000115.2V286 A287V286-G289 PolarHBondContact O-N 3.19Å; A287-G289 VanDerWaalsContact C-N 3.31Å
290Y58.8Low61.3Low94 Ų9481 Ų8137%0.36944%0.439SS..  trans-89.6140.6175.4-66.6-71.5000110.8L285 E288 A305 I309L285-Y290 WeakPolarHBondContact CD2-O 3.48Å; L285-Y290 PolarHBondContact O-N 3.42Å; L285-Y290 VanDerWaalsContact O-N 3.11Å; E288-Y290 VanDerWaalsContact C-N 3.35Å; E288-Y290 HydrophobicContact CB-CD2 3.82Å; E288-Y290 HydrophobicContact CB-CE2 4.08Å; E288-Y290 PolarHBondContact O-N 3.36Å; Y290-A305 HydrophobicContact CD1-CB 4.19Å; Y290-A305 HydrophobicContact CE1-CB 4.32Å; Y290-A305 HydrophobicContact CG-CB 4.32Å; Y290-I309 HydrophobicContact CD2-CD1 4.25Å
291P54.1Low62.2Low99 Ų9979.4 Ų79.464%0.64344%0.443SS*.  trans-68.9136.5174.228.8-33.9000110.2L285 P293L285-P291 WeakPolarHBondContact CD2-O 3.43Å; P291-P293 WeakPolarHBondContact O-CD 3.31Å
292V55.8Low62.7Low45 Ų4581.1 Ų81.127%0.27345%0.45SS..  trans-70.5113.3-179.3178.80000110.3L277 R282 L285 V286 T294L277-V292 HydrophobicContact CD1-CG1 4.38Å; R282-V292 HydrophobicContact CG-CG1 3.92Å; R282-V292 HydrophobicContact CG-CG2 4.11Å; L285-V292 HydrophobicContact CD2-CG2 4.22Å; V286-V292 HydrophobicContact CG2-CG2 3.33Å; V292-T294 PolarHBondContact O-N 2.87Å; V292-T294 PolarHBondContact O-OG1 3.32Å
293P57.2Low63.4Low11 Ų1181.1 Ų81.17%0.07146%0.455CS..  trans-75.399.5-176.4-1733.8000110.9P291 L298 E302P291-P293 WeakPolarHBondContact O-CD 3.31Å; P293-L298 HydrophobicContact CB-CD1 4.05Å; P293-L298 HydrophobicContact CB-CG 4.25Å; P293-E302 HydrophobicContact CG-CB 4.08Å; P293-E302 HydrophobicContact CG-CG 4.01Å
294T56Low64.4Low101 Ų10180.4 Ų80.462%0.6246%0.456SS*.  trans-88.9-8.5-175.1-16.40000114.4V292V292-T294 PolarHBondContact O-N 2.87Å; V292-T294 PolarHBondContact O-OG1 3.32Å
295K46.3Very low65.1Low168 Ų16879.2 Ų79.273%0.7345%0.45SS*.SBendtrans-140.6134.2-178.2-63.2-173.7-178.7179.70111.5
296L51.5Low65.7Low58 Ų5879.7 Ų79.730%0.30445%0.453SS..SBendtrans-70.6154167.9-77.5163.2000111.1L275 L298L275-L296 HydrophobicContact CD1-CD2 4.18Å; L296-L298 HydrophobicContact CD2-CD1 4.08Å
297P55.3Low66.7Low120 Ų12083.5 Ų83.578%0.77946%0.463SS*.SBendcis-80.4141.10.132.6-33.9000112.3S299P297-S299 PolarHBondContact O-N 3.18Å
298L59.2Low67.5Low26 Ų2684.9 Ų84.914%0.13645%0.452CS..PPolyproline II helixtrans-63.5135.8169.9-102.769.9000109.9L275 P293 L296 E302 E303L275-L298 HydrophobicContact CB-CD1 4.48Å; L275-L298 HydrophobicContact CD1-CD1 3.92Å; L275-L298 HydrophobicContact CD2-CD1 3.61Å; L275-L298 HydrophobicContact CD2-CD2 3.93Å; L275-L298 HydrophobicContact CD2-CG 4.4Å; L275-L298 HydrophobicContact CG-CD1 4.2Å; P293-L298 HydrophobicContact CB-CD1 4.05Å; P293-L298 HydrophobicContact CB-CG 4.25Å; L296-L298 HydrophobicContact CD2-CD1 4.08Å; L298-E302 WeakPolarHBondContact CA-OE2 3.44Å; L298-E302 HydrophobicContact CB-CB 4.31Å; L298-E302 HydrophobicContact CD2-CB 3.88Å; L298-E302 HydrophobicContact CG-CB 3.81Å; L298-E303 HydrophobicContact CB-CG 3.88Å; L298-E303 HydrophobicContact CD2-CG 4.1Å
299S70.7Confident68.6Low65 Ų6581.1 Ų81.146%0.45543%0.434SS..PPolyproline II helixtrans-62.7145.8164.2175.60000110P297 A301 E302 E303P297-S299 PolarHBondContact O-N 3.18Å; S299-A301 PolarHBondContact O-N 2.89Å; S299-A301 PolarHBondContact OG-N 2.89Å; S299-E302 PolarHBondContact N-OE2 2.79Å; S299-E302 WeakPolarHBondContact O-CB 3.46Å; S299-E302 PolarHBondContact O-N 3.28Å; S299-E303 PolarHBondContact O-N 3.5Å; S299-E303 VanDerWaalsContact O-N 3.14Å
300K76.4Confident70.1Confident167 Ų16783.7 Ų83.773%0.72642%0.423SS*.Hα-helixtrans-54.2-19.6171.9-74.3-178.8176.6175.30113.1K304K300-K304 WeakPolarHBondContact O-CD 3.39Å; K300-K304 VanDerWaalsContact O-CG 3.28Å; K300-K304 WeakPolarHBondContact O-CG 3.42Å
301A75.8Confident71.7Confident64 Ų6487.3 Ų87.353%0.52944%0.436SS..Hα-helixtrans-74.1-43.1171.800000112.4S299 K304 A305S299-A301 PolarHBondContact O-N 2.89Å; S299-A301 PolarHBondContact OG-N 2.89Å; A301-K304 PolarHBondContact O-N 3.33Å; A301-A305 PolarHBondContact O-N 3.32Å
302E76.3Confident73.5Confident55 Ų5587.4 Ų87.426%0.25743%0.426SS..Hα-helixtrans-69.1-39.4-179.5-63.7169.9136.400111.2P293 L298 S299 K304 A305 L306P293-E302 HydrophobicContact CG-CB 4.08Å; P293-E302 HydrophobicContact CG-CG 4.01Å; L298-E302 WeakPolarHBondContact CA-OE2 3.44Å; L298-E302 HydrophobicContact CB-CB 4.31Å; L298-E302 HydrophobicContact CD2-CB 3.88Å; L298-E302 HydrophobicContact CG-CB 3.81Å; S299-E302 PolarHBondContact N-OE2 2.79Å; S299-E302 WeakPolarHBondContact O-CB 3.46Å; S299-E302 PolarHBondContact O-N 3.28Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.94Å; E302-A305 PolarHBondContact O-N 3.08Å; E302-L306 WeakPolarHBondContact O-CB 3.38Å; E302-L306 PolarHBondContact O-N 3.32Å
303E80.8Confident75Confident108 Ų10886.2 Ų86.251%0.50542%0.419SS..Hα-helixtrans-60.1-41.4173.3-61.3-173.8138.500111.8L298 S299 K307L298-E303 HydrophobicContact CB-CG 3.88Å; L298-E303 HydrophobicContact CD2-CG 4.1Å; S299-E303 PolarHBondContact O-N 3.5Å; S299-E303 VanDerWaalsContact O-N 3.14Å; E303-K307 WeakPolarHBondContact O-CB 3.49Å; E303-K307 PolarHBondContact O-N 3.09Å
304K84.5Confident76.8Confident148 Ų14893.1 Ų93.164%0.64345%0.447SS*.Hα-helixtrans-66.9-38.1175.4-75176.3-178.8-177.10111.8K300 A301 E302 K308K300-K304 WeakPolarHBondContact O-CD 3.39Å; K300-K304 VanDerWaalsContact O-CG 3.28Å; K300-K304 WeakPolarHBondContact O-CG 3.42Å; A301-K304 PolarHBondContact O-N 3.33Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.94Å; K304-K308 WeakPolarHBondContact O-CG 3.37Å; K304-K308 PolarHBondContact O-N 3.35Å
305A80.8Confident78.7Confident10 Ų1092.9 Ų92.98%0.08344%0.442CS..Hα-helixtrans-65.3-49.3175.200000111.3Y290 A301 E302 K307 K308 I309Y290-A305 HydrophobicContact CD1-CB 4.19Å; Y290-A305 HydrophobicContact CE1-CB 4.32Å; Y290-A305 HydrophobicContact CG-CB 4.32Å; A301-A305 PolarHBondContact O-N 3.32Å; E302-A305 PolarHBondContact O-N 3.08Å; A305-K307 VanDerWaalsContact C-N 3.31Å; A305-K307 PolarHBondContact O-N 3.33Å; A305-K308 WeakPolarHBondContact O-CA 3.2Å; A305-K308 WeakPolarHBondContact O-CB 3.36Å; A305-K308 PolarHBondContact O-N 3.42Å; A305-I309 PolarHBondContact O-N 3.38Å
306L81Confident81.1Confident14 Ų1491.3 Ų91.37%0.07344%0.435CS..Hα-helixtrans-60.7-38.7178.2-175.557.4000112.1L275 L277 L285 E302 K308 I309 R310L275-L306 HydrophobicContact CD2-CD2 4.32Å; L277-L306 HydrophobicContact CD2-CD1 3.43Å; L277-L306 VanDerWaalsContact CD2-CD1 3.43Å; L277-L306 HydrophobicContact CD2-CD2 3.79Å; L277-L306 HydrophobicContact CD2-CG 4.27Å; L285-L306 HydrophobicContact CD1-CD1 4.45Å; E302-L306 WeakPolarHBondContact O-CB 3.38Å; E302-L306 PolarHBondContact O-N 3.32Å; L306-K308 PolarHBondContact O-N 2.99Å; L306-I309 PolarHBondContact O-N 3.3Å; L306-R310 HydrophobicContact CD1-CG 4.37Å; L306-R310 WeakPolarHBondContact O-CB 3.2Å; L306-R310 WeakPolarHBondContact O-CG 3.25Å; L306-R310 PolarHBondContact O-N 3.19Å
307K87.2Confident83Confident164 Ų16492.7 Ų92.771%0.71344%0.442SS*.Hα-helixtrans-61.6-39.9172.8-173.6173.7-178.3175.40112.5E303 A305 R311E303-K307 WeakPolarHBondContact O-CB 3.49Å; E303-K307 PolarHBondContact O-N 3.09Å; A305-K307 VanDerWaalsContact C-N 3.31Å; A305-K307 PolarHBondContact O-N 3.33Å; K307-R311 PolarHBondContact O-N 2.91Å
308K89.2Confident85Confident118 Ų11890.7 Ų90.751%0.51343%0.431SS..Hα-helixtrans-65.1-43.3174.2-72.5175.4177.8-176.90111.4K304 A305 L306 R311 K312K304-K308 WeakPolarHBondContact O-CG 3.37Å; K304-K308 PolarHBondContact O-N 3.35Å; A305-K308 WeakPolarHBondContact O-CA 3.2Å; A305-K308 WeakPolarHBondContact O-CB 3.36Å; A305-K308 PolarHBondContact O-N 3.42Å; L306-K308 PolarHBondContact O-N 2.99Å; K308-R311 WeakPolarHBondContact O-CB 3.39Å; K308-R311 PolarHBondContact O-N 3.31Å; K308-K312 PolarHBondContact O-N 3.28Å
309I87.1Confident86.8Confident2 Ų291.7 Ų91.71%0.0144%0.443CS..Hα-helixtrans-65.7-47.3-179.5-72.5157.6000111.4T284 L285 Y290 A305 L306 R311 K312 I313T284-I309 HydrophobicContact CG2-CG2 3.78Å; L285-I309 HydrophobicContact CB-CD1 3.68Å; L285-I309 HydrophobicContact CD1-CD1 3.66Å; L285-I309 HydrophobicContact CG-CD1 3.45Å; L285-I309 VanDerWaalsContact CG-CD1 3.45Å; Y290-I309 HydrophobicContact CD2-CD1 4.25Å; A305-I309 PolarHBondContact O-N 3.38Å; L306-I309 PolarHBondContact O-N 3.3Å; I309-R311 PolarHBondContact O-N 3.44Å; I309-K312 WeakPolarHBondContact O-CA 3.45Å; I309-K312 WeakPolarHBondContact O-CB 3.5Å; I309-K312 PolarHBondContact O-N 2.94Å; I309-I313 HydrophobicContact CG2-CD1 3.85Å; I309-I313 HydrophobicContact CG2-CG1 4.43Å; I309-I313 WeakPolarHBondContact O-CG1 3.3Å; I309-I313 PolarHBondContact O-N 3.38Å
310R88.4Confident88.1Confident121 Ų12193.8 Ų93.846%0.45745%0.446SS..Hα-helixtrans-55.5-38.7172.8-74.5175.7172.1172.6-0.5112.4E281 L306 K314E281-R310 WeakPolarHBondContact OE1-CG 3.45Å; E281-R310 IonicContact OE1-CZ 3.32Å; E281-R310 VanDerWaalsContact OE1-CZ 3.32Å; E281-R310 IonicContact OE1-NE 2.69Å; E281-R310 PolarHBondContact OE1-NE 3.42Å; E281-R310 IonicContact OE1-NH2 3.05Å; E281-R310 PolarHBondContact OE1-NH2 3.08Å; E281-R310 IonicContact OE2-NH2 3.53Å; L306-R310 HydrophobicContact CD1-CG 4.37Å; L306-R310 WeakPolarHBondContact O-CB 3.2Å; L306-R310 WeakPolarHBondContact O-CG 3.25Å; L306-R310 PolarHBondContact O-N 3.19Å; R310-K314 WeakPolarHBondContact O-CB 3.49Å; R310-K314 PolarHBondContact O-N 3.4Å; R310-K314 VanDerWaalsContact O-N 3.08Å
311R92.2Very high89.1Confident169 Ų16990.4 Ų90.464%0.63843%0.432SS*.Hα-helixtrans-67.7-43.4173.1-170.6177.970.9167.94.8112.1K307 K308 I309 K314 N315K307-R311 PolarHBondContact O-N 2.91Å; K308-R311 WeakPolarHBondContact O-CB 3.39Å; K308-R311 PolarHBondContact O-N 3.31Å; I309-R311 PolarHBondContact O-N 3.44Å; R311-K314 PolarHBondContact O-N 2.79Å; R311-N315 WeakPolarHBondContact O-CB 3.39Å; R311-N315 VanDerWaalsContact O-CG 3.31Å; R311-N315 PolarHBondContact O-N 3.5Å; R311-N315 PolarHBondContact O-OD1 3.29Å
312K92.6Very high90.1Very high101 Ų10191.2 Ų91.244%0.43943%0.434SS..Hα-helixtrans-59.8-46.4176-79.1-172.5165.1-169.60111.8E288 K308 I309 N315 K316E288-K312 WeakPolarHBondContact OE1-CD 3.33Å; E288-K312 IonicContact OE1-NZ 2.95Å; E288-K312 PolarHBondContact OE1-NZ 2.94Å; E288-K312 IonicContact OE2-NZ 2.87Å; E288-K312 PolarHBondContact OE2-NZ 3.44Å; K308-K312 PolarHBondContact O-N 3.28Å; I309-K312 WeakPolarHBondContact O-CA 3.45Å; I309-K312 WeakPolarHBondContact O-CB 3.5Å; I309-K312 PolarHBondContact O-N 2.94Å; K312-N315 PolarHBondContact O-N 3.43Å; K312-K316 WeakPolarHBondContact O-CB 3.21Å; K312-K316 PolarHBondContact O-N 2.85Å
313I87.4Confident91.2Very high21 Ų2197.8 Ų97.811%0.10846%0.457CS..Hα-helixtrans-61.1-50.6177-64.6167.8000110.6E281 T284 I309 N315 K316 I317E281-I313 HydrophobicContact CG-CD1 4.28Å; T284-I313 HydrophobicContact CG2-CD1 4.38Å; T284-I313 HydrophobicContact CG2-CG1 4.15Å; I309-I313 HydrophobicContact CG2-CD1 3.85Å; I309-I313 HydrophobicContact CG2-CG1 4.43Å; I309-I313 WeakPolarHBondContact O-CG1 3.3Å; I309-I313 PolarHBondContact O-N 3.38Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 2.89Å; I313-K316 WeakPolarHBondContact O-CB 3.34Å; I313-K316 PolarHBondContact O-N 3.22Å; I313-I317 HydrophobicContact CG2-CD1 3.86Å; I313-I317 WeakPolarHBondContact O-CG1 3.08Å; I313-I317 PolarHBondContact O-N 3.34Å
314K94.4Very high92Very high155 Ų15598.5 Ų98.567%0.67446%0.455SS*.Hα-helixtrans-58.3-42.7177.6-177.6174-69-166.30112.4R310 R311 S318R310-K314 WeakPolarHBondContact O-CB 3.49Å; R310-K314 PolarHBondContact O-N 3.4Å; R310-K314 VanDerWaalsContact O-N 3.08Å; R311-K314 PolarHBondContact O-N 2.79Å; K314-S318 WeakPolarHBondContact O-CB 3.33Å; K314-S318 PolarHBondContact O-N 3.3Å
315N96Very high92.7Very high97 Ų9798.7 Ų98.752%0.51946%0.456SS..Hα-helixtrans-67.6-38.8177.8-74.817000112.1R311 K312 I313 S318 A319R311-N315 WeakPolarHBondContact O-CB 3.39Å; R311-N315 VanDerWaalsContact O-CG 3.31Å; R311-N315 PolarHBondContact O-N 3.5Å; R311-N315 PolarHBondContact O-OD1 3.29Å; K312-N315 PolarHBondContact O-N 3.43Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 2.89Å; N315-S318 PolarHBondContact O-N 2.97Å; N315-A319 VanDerWaalsContact O-CB 3.3Å; N315-A319 WeakPolarHBondContact O-CB 3.25Å; N315-A319 PolarHBondContact O-N 3.42Å
316K95.8Very high93.6Very high134 Ų134105.3 Ų105.358%0.58348%0.482SS*.Hα-helixtrans-59.7-49.5175-178.1-168.7172-161.10111K312 I313 A319 Q320K312-K316 WeakPolarHBondContact O-CB 3.21Å; K312-K316 PolarHBondContact O-N 2.85Å; I313-K316 WeakPolarHBondContact O-CB 3.34Å; I313-K316 PolarHBondContact O-N 3.22Å; K316-A319 PolarHBondContact O-N 3.46Å; K316-Q320 WeakPolarHBondContact O-CB 3.36Å; K316-Q320 PolarHBondContact O-N 2.82Å
317I91.4Very high94.4Very high88 Ų88111 Ų11145%0.45151%0.507SS..Hα-helixtrans-62.5-47.8178.4-64.4168000110.5I313 A319 Q320 E321I313-I317 HydrophobicContact CG2-CD1 3.86Å; I313-I317 WeakPolarHBondContact O-CG1 3.08Å; I313-I317 PolarHBondContact O-N 3.34Å; I317-A319 PolarHBondContact O-N 3.25Å; I317-Q320 PolarHBondContact O-N 3.28Å; I317-E321 WeakPolarHBondContact O-CB 3.49Å; I317-E321 PolarHBondContact O-N 3.11Å
318S97.1Very high94.9Very high78 Ų78107.9 Ų107.955%0.54550%0.495SS..Hα-helixtrans-60-42.6178.7-176.80000112.8K314 N315 E321 S322K314-S318 WeakPolarHBondContact O-CB 3.33Å; K314-S318 PolarHBondContact O-N 3.3Å; N315-S318 PolarHBondContact O-N 2.97Å; S318-E321 PolarHBondContact O-N 3.02Å; S318-S322 WeakPolarHBondContact O-CB 3.44Å; S318-S322 PolarHBondContact O-N 3.02Å
319A97.6Very high95.4Very high46 Ų46109.4 Ų109.438%0.3850%0.498SS..Hα-helixtrans-67.6-37.7176.100000112.6N315 K316 I317 R323N315-A319 VanDerWaalsContact O-CB 3.3Å; N315-A319 WeakPolarHBondContact O-CB 3.25Å; N315-A319 PolarHBondContact O-N 3.42Å; K316-A319 PolarHBondContact O-N 3.46Å; I317-A319 PolarHBondContact O-N 3.25Å; A319-R323 VanDerWaalsContact O-CG 3.25Å; A319-R323 WeakPolarHBondContact O-CG 3.44Å; A319-R323 PolarHBondContact O-N 3.45Å; A319-R323 VanDerWaalsContact O-N 3.11Å
320Q97.9Very high95.9Very high110 Ų110113.2 Ų113.251%0.51452%0.517SS..Hα-helixtrans-65-44.3174.6-177.3175.41.800111.4K316 I317 R323 R324K316-Q320 WeakPolarHBondContact O-CB 3.36Å; K316-Q320 PolarHBondContact O-N 2.82Å; I317-Q320 PolarHBondContact O-N 3.28Å; Q320-R323 WeakPolarHBondContact O-CB 3.46Å; Q320-R323 PolarHBondContact O-N 3.44Å; Q320-R324 PolarHBondContact O-N 3.02Å
321E96.8Very high96.4Very high95 Ų95110.7 Ų110.744%0.44451%0.513SS..Hα-helixtrans-69.6-37.4-179.3-166.159-162.600112.1I317 S318 R323 R324 K325I317-E321 WeakPolarHBondContact O-CB 3.49Å; I317-E321 PolarHBondContact O-N 3.11Å; S318-E321 PolarHBondContact O-N 3.02Å; E321-R323 VanDerWaalsContact C-N 3.33Å; E321-R323 PolarHBondContact O-N 3.17Å; E321-R324 PolarHBondContact O-N 3.17Å; E321-R324 IonicContact OE1-NE 3.87Å; E321-R324 WeakPolarHBondContact OE2-CD 3.39Å; E321-R324 IonicContact OE2-NE 2.62Å; E321-R324 PolarHBondContact OE2-NE 3.47Å; E321-K325 WeakPolarHBondContact O-CB 3.26Å; E321-K325 PolarHBondContact O-N 2.99Å
322S98.5Very high96.7Very high82 Ų82105 Ų10557%0.57350%0.501SS*.Hα-helixtrans-59.1-42.8170176.70000112.1S318 K326S318-S322 WeakPolarHBondContact O-CB 3.44Å; S318-S322 PolarHBondContact O-N 3.02Å; S322-K326 WeakPolarHBondContact O-CB 3.29Å; S322-K326 PolarHBondContact O-N 2.89Å
323R98.6Very high97Very high192 Ų192103.2 Ų103.273%0.72550%0.497SS*.Hα-helixtrans-66.7-43175.4-71169-175.8-171.50.3112A319 Q320 E321 K326 K327A319-R323 VanDerWaalsContact O-CG 3.25Å; A319-R323 WeakPolarHBondContact O-CG 3.44Å; A319-R323 PolarHBondContact O-N 3.45Å; A319-R323 VanDerWaalsContact O-N 3.11Å; Q320-R323 WeakPolarHBondContact O-CB 3.46Å; Q320-R323 PolarHBondContact O-N 3.44Å; E321-R323 VanDerWaalsContact C-N 3.33Å; E321-R323 PolarHBondContact O-N 3.17Å; R323-K326 PolarHBondContact O-N 2.93Å; R323-K327 PolarHBondContact O-N 3.06Å
324R98.4Very high97.5Very high124 Ų124107.9 Ų107.947%0.46852%0.518SS..Hα-helixtrans-56.5-54.4174.7-177.1-160.5-67-85.4-0.6110.4Q320 E321 K326 K327 E328Q320-R324 PolarHBondContact O-N 3.02Å; E321-R324 PolarHBondContact O-N 3.17Å; E321-R324 IonicContact OE1-NE 3.87Å; E321-R324 WeakPolarHBondContact OE2-CD 3.39Å; E321-R324 IonicContact OE2-NE 2.62Å; E321-R324 PolarHBondContact OE2-NE 3.47Å; R324-K326 VanDerWaalsContact C-N 3.31Å; R324-K326 PolarHBondContact O-N 3.2Å; R324-K327 WeakPolarHBondContact O-CA 3.44Å; R324-K327 WeakPolarHBondContact O-CB 3.35Å; R324-K327 PolarHBondContact O-N 3.42Å; R324-E328 VanDerWaalsContact CD-OE1 3.25Å; R324-E328 WeakPolarHBondContact CD-OE1 3.5Å; R324-E328 HydrophobicContact CG-CG 4.44Å; R324-E328 VanDerWaalsContact CG-OE1 3.23Å; R324-E328 WeakPolarHBondContact CG-OE1 3.17Å; R324-E328 WeakPolarHBondContact O-CG 3.34Å; R324-E328 PolarHBondContact O-N 3.07Å
325K98.6Very high97.7Very high152 Ų152106.8 Ų106.866%0.66151%0.513SS*.Hα-helixtrans-62.9-34.5-179.1-171168.2-174.9170.70113.1E321 Y329E321-K325 WeakPolarHBondContact O-CB 3.26Å; E321-K325 PolarHBondContact O-N 2.99Å; K325-Y329 WeakPolarHBondContact O-CB 3.3Å; K325-Y329 PolarHBondContact O-N 3.39Å
326K98.5Very high97.9Very high148 Ų148108.9 Ų108.964%0.64352%0.517SS*.Hα-helixtrans-65.5-40.7171.5-176.1177.3178-178.30111.6S322 R323 R324 M330S322-K326 WeakPolarHBondContact O-CB 3.29Å; S322-K326 PolarHBondContact O-N 2.89Å; R323-K326 PolarHBondContact O-N 2.93Å; R324-K326 VanDerWaalsContact C-N 3.31Å; R324-K326 PolarHBondContact O-N 3.2Å; K326-M330 PolarHBondContact O-N 2.9Å; K326-M330 VanDerWaalsContact O-N 3.13Å
327K98.4Very high98Very high134 Ų134107.4 Ų107.458%0.58352%0.52SS*.Hα-helixtrans-62.8-54174.5-173.9-174.6176.8-164.20110.5R323 R324 Y329 M330 D331R323-K327 PolarHBondContact O-N 3.06Å; R324-K327 WeakPolarHBondContact O-CA 3.44Å; R324-K327 WeakPolarHBondContact O-CB 3.35Å; R324-K327 PolarHBondContact O-N 3.42Å; K327-Y329 PolarHBondContact O-N 3.24Å; K327-Y329 VanDerWaalsContact O-N 3.15Å; K327-M330 CarbonylContact O-C 3.59Å; K327-M330 WeakPolarHBondContact O-CA 3.34Å; K327-M330 WeakPolarHBondContact O-CB 3.26Å; K327-M330 PolarHBondContact O-N 2.92Å; K327-D331 WeakPolarHBondContact CE-OD1 3.03Å; K327-D331 VanDerWaalsContact CE-OD2 3.25Å; K327-D331 WeakPolarHBondContact CE-OD2 3.5Å; K327-D331 WeakPolarHBondContact CG-OD1 3.47Å; K327-D331 IonicContact NZ-OD2 3.28Å; K327-D331 VanDerWaalsContact O-CG 3.29Å; K327-D331 PolarHBondContact O-N 3.34Å
328E98.6Very high98.3Very high99 Ų99108.9 Ų108.946%0.46352%0.524SS..Hα-helixtrans-55.1-36.2179.3-70.2167.2179.800112.8R324 A332R324-E328 VanDerWaalsContact CD-OE1 3.25Å; R324-E328 WeakPolarHBondContact CD-OE1 3.5Å; R324-E328 HydrophobicContact CG-CG 4.44Å; R324-E328 VanDerWaalsContact CG-OE1 3.23Å; R324-E328 WeakPolarHBondContact CG-OE1 3.17Å; R324-E328 WeakPolarHBondContact O-CG 3.34Å; R324-E328 PolarHBondContact O-N 3.07Å; E328-A332 WeakPolarHBondContact O-CB 3.34Å; E328-A332 PolarHBondContact O-N 2.94Å
329Y98.7Very high98.4Very high149 Ų149109.4 Ų109.458%0.58452%0.521SS*.Hα-helixtrans-67.1-40.2172.5177-103.5000113K325 K327 L333K325-Y329 WeakPolarHBondContact O-CB 3.3Å; K325-Y329 PolarHBondContact O-N 3.39Å; K327-Y329 PolarHBondContact O-N 3.24Å; K327-Y329 VanDerWaalsContact O-N 3.15Å; Y329-L333 HydrophobicContact CD1-CD1 4.13Å; Y329-L333 HydrophobicContact CE1-CD1 3.46Å; Y329-L333 VanDerWaalsContact CE1-CD1 3.46Å; Y329-L333 HydrophobicContact CE1-CG 4.12Å; Y329-L333 HydrophobicContact CE2-CD1 4.44Å; Y329-L333 HydrophobicContact CE2-CD2 4.5Å; Y329-L333 HydrophobicContact CE2-CG 4.32Å; Y329-L333 WeakPolarHBondContact O-CG 3.43Å; Y329-L333 PolarHBondContact O-N 2.86Å
330M98.8Very high98.4Very high82 Ų82111 Ų11140%0.40453%0.529SS..Hα-helixtrans-66.1-52.3175.5-16070.57300110.9K326 K327 A332 L333 E334K326-M330 PolarHBondContact O-N 2.9Å; K326-M330 VanDerWaalsContact O-N 3.13Å; K327-M330 CarbonylContact O-C 3.59Å; K327-M330 WeakPolarHBondContact O-CA 3.34Å; K327-M330 WeakPolarHBondContact O-CB 3.26Å; K327-M330 PolarHBondContact O-N 2.92Å; M330-A332 PolarHBondContact O-N 2.84Å; M330-L333 WeakPolarHBondContact O-CA 3.33Å; M330-L333 WeakPolarHBondContact O-CB 3.45Å; M330-L333 PolarHBondContact O-N 3Å; M330-E334 WeakPolarHBondContact CG-OE1 3.49Å; M330-E334 WeakPolarHBondContact O-CG 3.4Å; M330-E334 PolarHBondContact O-N 3.28Å
331D98.3Very high98.5Very high69 Ų69109.3 Ų109.337%0.36953%0.529SS..Hα-helixtrans-53.8-38.6176.5-58.82.1000110.7K327 K335K327-D331 WeakPolarHBondContact CE-OD1 3.03Å; K327-D331 VanDerWaalsContact CE-OD2 3.25Å; K327-D331 WeakPolarHBondContact CE-OD2 3.5Å; K327-D331 WeakPolarHBondContact CG-OD1 3.47Å; K327-D331 IonicContact NZ-OD2 3.28Å; K327-D331 VanDerWaalsContact O-CG 3.29Å; K327-D331 PolarHBondContact O-N 3.34Å; D331-K335 VanDerWaalsContact O-CB 3.3Å; D331-K335 WeakPolarHBondContact O-CB 3.42Å; D331-K335 PolarHBondContact O-N 3.11Å
332A98.6Very high98.6Very high48 Ų48109 Ų10940%0.39753%0.531SS..Hα-helixtrans-74.1-2917600000114.5E328 M330 K336E328-A332 WeakPolarHBondContact O-CB 3.34Å; E328-A332 PolarHBondContact O-N 2.94Å; M330-A332 PolarHBondContact O-N 2.84Å; A332-K336 WeakPolarHBondContact O-CG 3.43Å; A332-K336 PolarHBondContact O-N 3.38Å
333L98.7Very high98.6Very high65 Ų65110.8 Ų110.834%0.3453%0.53SS..Hα-helixtrans-72.8-46170.9-77.2-177.8000111.1Y329 M330 K335 K336 V337Y329-L333 HydrophobicContact CD1-CD1 4.13Å; Y329-L333 HydrophobicContact CE1-CD1 3.46Å; Y329-L333 VanDerWaalsContact CE1-CD1 3.46Å; Y329-L333 HydrophobicContact CE1-CG 4.12Å; Y329-L333 HydrophobicContact CE2-CD1 4.44Å; Y329-L333 HydrophobicContact CE2-CD2 4.5Å; Y329-L333 HydrophobicContact CE2-CG 4.32Å; Y329-L333 WeakPolarHBondContact O-CG 3.43Å; Y329-L333 PolarHBondContact O-N 2.86Å; M330-L333 WeakPolarHBondContact O-CA 3.33Å; M330-L333 WeakPolarHBondContact O-CB 3.45Å; M330-L333 PolarHBondContact O-N 3Å; L333-K335 VanDerWaalsContact C-N 3.32Å; L333-K335 PolarHBondContact O-N 3.47Å; L333-K336 WeakPolarHBondContact O-CB 3.24Å; L333-K336 PolarHBondContact O-N 3.47Å; L333-K336 VanDerWaalsContact O-N 3.08Å; L333-V337 WeakPolarHBondContact O-CG2 3.37Å; L333-V337 PolarHBondContact O-N 3.48Å
334E98.6Very high98.6Very high119 Ų119105.4 Ų105.456%0.55652%0.515SS*.Hα-helixtrans-56.2-48.3175.9-71171.2-170.800110.3M330 K336 V337 E338M330-E334 WeakPolarHBondContact CG-OE1 3.49Å; M330-E334 WeakPolarHBondContact O-CG 3.4Å; M330-E334 PolarHBondContact O-N 3.28Å; E334-K336 VanDerWaalsContact C-N 3.34Å; E334-K336 PolarHBondContact O-N 2.84Å; E334-V337 PolarHBondContact O-N 3.23Å; E334-V337 VanDerWaalsContact O-N 3.14Å; E334-E338 PolarHBondContact O-N 3.07Å
335K98.7Very high98.6Very high131 Ų131102 Ų10257%0.5751%0.51SS*.Hα-helixtrans-59-40.4173.5-175.3167.9-175169.70113.2D331 L333 E338 N339D331-K335 VanDerWaalsContact O-CB 3.3Å; D331-K335 WeakPolarHBondContact O-CB 3.42Å; D331-K335 PolarHBondContact O-N 3.11Å; L333-K335 VanDerWaalsContact C-N 3.32Å; L333-K335 PolarHBondContact O-N 3.47Å; K335-E338 PolarHBondContact O-N 3.23Å; K335-N339 WeakPolarHBondContact CG-OD1 3.33Å; K335-N339 WeakPolarHBondContact O-CB 3.46Å; K335-N339 PolarHBondContact O-N 3.08Å; K335-N339 PolarHBondContact O-OD1 2.89Å
336K98.6Very high98.6Very high141 Ų14198.9 Ų98.961%0.61350%0.498SS*.Hα-helixtrans-63.6-40.7175.2-80.4176.7178.4-173.10112.1A332 L333 E334 N339 C340A332-K336 WeakPolarHBondContact O-CG 3.43Å; A332-K336 PolarHBondContact O-N 3.38Å; L333-K336 WeakPolarHBondContact O-CB 3.24Å; L333-K336 PolarHBondContact O-N 3.47Å; L333-K336 VanDerWaalsContact O-N 3.08Å; E334-K336 VanDerWaalsContact C-N 3.34Å; E334-K336 PolarHBondContact O-N 2.84Å; K336-N339 PolarHBondContact O-N 3.46Å; K336-C340 WeakPolarHBondContact O-CB 3.47Å; K336-C340 PolarHBondContact O-N 2.71Å; K336-C340 PolarHBondContact O-SG 2.89Å
337V98.7Very high98.6Very high104 Ų10496 Ų9663%0.6349%0.489SS*.Hα-helixtrans-64.2-44176172.90000110.7L333 E334 C340 S341L333-V337 WeakPolarHBondContact O-CG2 3.37Å; L333-V337 PolarHBondContact O-N 3.48Å; E334-V337 PolarHBondContact O-N 3.23Å; E334-V337 VanDerWaalsContact O-N 3.14Å; V337-C340 PolarHBondContact O-N 3.19Å; V337-S341 VanDerWaalsContact O-CB 3.24Å; V337-S341 WeakPolarHBondContact O-CB 3.25Å; V337-S341 PolarHBondContact O-N 3.22Å
338E98.6Very high98.6Very high118 Ų11897.8 Ų97.855%0.55149%0.492SS*.Hα-helixtrans-59.5-50.1174.1-179.6179.5-128.300111.7E334 K335 C340 S341 N342E334-E338 PolarHBondContact O-N 3.07Å; K335-E338 PolarHBondContact O-N 3.23Å; E338-C340 PolarHBondContact O-N 3.34Å; E338-S341 WeakPolarHBondContact O-CB 3.31Å; E338-S341 PolarHBondContact O-N 3.45Å; E338-N342 WeakPolarHBondContact O-CB 3.34Å; E338-N342 VanDerWaalsContact O-CG 3.23Å; E338-N342 PolarHBondContact O-N 3.46Å; E338-N342 PolarHBondContact O-ND2 3.48Å
339N98.5Very high98.6Very high90 Ų9099.8 Ų99.848%0.48150%0.496SS..Hα-helixtrans-55.9-49.7176.1-8990.7000112.2K335 K336 S341 N342 E343K335-N339 WeakPolarHBondContact CG-OD1 3.33Å; K335-N339 WeakPolarHBondContact O-CB 3.46Å; K335-N339 PolarHBondContact O-N 3.08Å; K335-N339 PolarHBondContact O-OD1 2.89Å; K336-N339 PolarHBondContact O-N 3.46Å; N339-S341 PolarHBondContact O-N 3.11Å; N339-N342 PolarHBondContact O-N 3.2Å; N339-E343 PolarHBondContact O-N 3.07Å
340C98.4Very high98.6Very high79 Ų7997.4 Ų97.453%0.53449%0.489SS..Hα-helixtrans-67.2-33.7178.5-690000112.9K336 V337 E338 N344K336-C340 WeakPolarHBondContact O-CB 3.47Å; K336-C340 PolarHBondContact O-N 2.71Å; K336-C340 PolarHBondContact O-SG 2.89Å; V337-C340 PolarHBondContact O-N 3.19Å; E338-C340 PolarHBondContact O-N 3.34Å; C340-N344 VanDerWaalsContact O-CB 3.26Å; C340-N344 WeakPolarHBondContact O-CB 3.36Å; C340-N344 PolarHBondContact O-N 3.33Å
341S98.6Very high98.6Very high74 Ų7498.5 Ų98.552%0.51750%0.495SS..Hα-helixtrans-64.7-45.8173.5-1740000111.4V337 E338 N339 N344 S345V337-S341 VanDerWaalsContact O-CB 3.24Å; V337-S341 WeakPolarHBondContact O-CB 3.25Å; V337-S341 PolarHBondContact O-N 3.22Å; E338-S341 WeakPolarHBondContact O-CB 3.31Å; E338-S341 PolarHBondContact O-N 3.45Å; N339-S341 PolarHBondContact O-N 3.11Å; S341-N344 PolarHBondContact O-N 2.98Å; S341-S345 PolarHBondContact O-N 3.17Å
342N98.6Very high98.6Very high90 Ų90101.4 Ų101.448%0.48151%0.507SS..Hα-helixtrans-62.2-47177.3-71-21.4000111.5E338 N339 N344 S345 E346E338-N342 WeakPolarHBondContact O-CB 3.34Å; E338-N342 VanDerWaalsContact O-CG 3.23Å; E338-N342 PolarHBondContact O-N 3.46Å; E338-N342 PolarHBondContact O-ND2 3.48Å; N339-N342 PolarHBondContact O-N 3.2Å; N342-N344 PolarHBondContact O-N 3.41Å; N342-S345 WeakPolarHBondContact O-CB 3.38Å; N342-S345 PolarHBondContact O-N 2.93Å; N342-S345 PolarHBondContact O-OG 3.41Å; N342-E346 PolarHBondContact O-N 3.46Å
343E98.6Very high98.6Very high118 Ų118103.7 Ų103.755%0.55151%0.512SS*.Hα-helixtrans-59.7-44.9175.2-174.7178.5179.700111.8N339 S345 E346 L347N339-E343 PolarHBondContact O-N 3.07Å; E343-S345 VanDerWaalsContact C-N 3.32Å; E343-S345 PolarHBondContact O-N 2.9Å; E343-E346 PolarHBondContact O-N 2.99Å; E343-L347 HydrophobicContact CG-CD1 4.18Å; E343-L347 WeakPolarHBondContact O-CG 3.44Å; E343-L347 PolarHBondContact O-N 3.21Å
344N98.4Very high98.6Very high79 Ų79106 Ų10642%0.42252%0.524SS..Hα-helixtrans-60.8-41.2175.8-163.2-39.9000111.4C340 S341 N342 E346 L347 R348C340-N344 VanDerWaalsContact O-CB 3.26Å; C340-N344 WeakPolarHBondContact O-CB 3.36Å; C340-N344 PolarHBondContact O-N 3.33Å; S341-N344 PolarHBondContact O-N 2.98Å; N342-N344 PolarHBondContact O-N 3.41Å; N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.31Å; N344-L347 PolarHBondContact O-N 3.44Å; N344-R348 VanDerWaalsContact O-CG 3.29Å; N344-R348 WeakPolarHBondContact O-CG 3.3Å; N344-R348 PolarHBondContact O-N 2.89Å; N344-R348 PolarHBondContact OD1-NE 3.31Å
345S98.4Very high98.6Very high52 Ų52105.3 Ų105.336%0.36452%0.521SS..Hα-helixtrans-63.5-37.7175.585.10000112.7S341 N342 E343 R349S341-S345 PolarHBondContact O-N 3.17Å; N342-S345 WeakPolarHBondContact O-CB 3.38Å; N342-S345 PolarHBondContact O-N 2.93Å; N342-S345 PolarHBondContact O-OG 3.41Å; E343-S345 VanDerWaalsContact C-N 3.32Å; E343-S345 PolarHBondContact O-N 2.9Å; S345-R349 PolarHBondContact O-N 2.86Å
346E98.5Very high98.6Very high88 Ų88102.5 Ų102.541%0.41152%0.517SS..Hα-helixtrans-71.9-40.4178.1-159.2-163149.700111.4N342 E343 N344 R349 K350N342-E346 PolarHBondContact O-N 3.46Å; E343-E346 PolarHBondContact O-N 2.99Å; N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.31Å; E346-R349 PolarHBondContact O-N 3.17Å; E346-K350 VanDerWaalsContact CD-NZ 3.35Å; E346-K350 WeakPolarHBondContact O-CG 3.44Å; E346-K350 PolarHBondContact O-N 3.03Å; E346-K350 WeakPolarHBondContact OE1-CE 3.45Å; E346-K350 IonicContact OE1-NZ 3.38Å; E346-K350 PolarHBondContact OE1-NZ 2.94Å
347L98.7Very high98.6Very high87 Ų8799.3 Ų99.346%0.45551%0.51SS..Hα-helixtrans-63-42.2173.9-70.7172.2000111.7E343 N344 K350 L351E343-L347 HydrophobicContact CG-CD1 4.18Å; E343-L347 WeakPolarHBondContact O-CG 3.44Å; E343-L347 PolarHBondContact O-N 3.21Å; N344-L347 PolarHBondContact O-N 3.44Å; L347-K350 WeakPolarHBondContact O-CB 3.41Å; L347-K350 PolarHBondContact O-N 3.44Å; L347-L351 WeakPolarHBondContact O-CG 3.47Å; L347-L351 PolarHBondContact O-N 3.34Å
348R98.6Very high98.5Very high171 Ų17198.7 Ų98.765%0.64550%0.503SS*.Hα-helixtrans-60.1-45.5173.2-73.3174.2-170.5-144.7-1.2112.1N344 K350 L351 E352N344-R348 VanDerWaalsContact O-CG 3.29Å; N344-R348 WeakPolarHBondContact O-CG 3.3Å; N344-R348 PolarHBondContact O-N 2.89Å; N344-R348 PolarHBondContact OD1-NE 3.31Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 3Å; R348-L351 WeakPolarHBondContact O-CB 3.34Å; R348-L351 PolarHBondContact O-N 3.42Å; R348-E352 WeakPolarHBondContact O-CB 3.1Å; R348-E352 PolarHBondContact O-N 3.05Å
349R98.7Very high98.5Very high142 Ų14299.2 Ų99.254%0.53650%0.503SS..Hα-helixtrans-62.2-37.4175.7-164.8-170.8-55.8136.87.3112.1S345 E346 N353S345-R349 PolarHBondContact O-N 2.86Å; E346-R349 PolarHBondContact O-N 3.17Å; R349-N353 WeakPolarHBondContact O-CB 3.49Å; R349-N353 PolarHBondContact O-N 2.62Å; R349-N353 PolarHBondContact O-ND2 2.98Å
350K98.6Very high98.5Very high99 Ų9997.8 Ų97.843%0.4350%0.498SS..Hα-helixtrans-65.7-42.1173.9-74.1168.1-175.6165.80111.8E346 L347 R348 L354E346-K350 VanDerWaalsContact CD-NZ 3.35Å; E346-K350 WeakPolarHBondContact O-CG 3.44Å; E346-K350 PolarHBondContact O-N 3.03Å; E346-K350 WeakPolarHBondContact OE1-CE 3.45Å; E346-K350 IonicContact OE1-NZ 3.38Å; E346-K350 PolarHBondContact OE1-NZ 2.94Å; L347-K350 WeakPolarHBondContact O-CB 3.41Å; L347-K350 PolarHBondContact O-N 3.44Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 3Å; K350-L354 WeakPolarHBondContact O-CB 3.39Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.25Å; K350-L354 PolarHBondContact O-N 3.46Å
351L98.7Very high98.5Very high104 Ų10498.6 Ų98.655%0.54550%0.497SS..Hα-helixtrans-61.9-49.6174.4-73.3170.3000111.3L347 R348 N353 L354 E355L347-L351 WeakPolarHBondContact O-CG 3.47Å; L347-L351 PolarHBondContact O-N 3.34Å; R348-L351 WeakPolarHBondContact O-CB 3.34Å; R348-L351 PolarHBondContact O-N 3.42Å; L351-N353 PolarHBondContact O-N 3.35Å; L351-L354 CarbonylContact O-C 3.57Å; L351-L354 PolarHBondContact O-N 2.86Å; L351-L354 VanDerWaalsContact O-N 3.11Å; L351-E355 WeakPolarHBondContact O-CG 3.47Å; L351-E355 PolarHBondContact O-N 3.23Å
352E98.6Very high98.5Very high131 Ų13198.9 Ų98.961%0.61249%0.491SS*.Hα-helixtrans-57.3-45.3177.1-179.2175.7-146.700112.3R348 L354 E355 C356R348-E352 WeakPolarHBondContact O-CB 3.1Å; R348-E352 PolarHBondContact O-N 3.05Å; E352-L354 PolarHBondContact O-N 2.78Å; E352-E355 PolarHBondContact O-N 3.45Å; E352-C356 WeakPolarHBondContact O-CB 3.35Å; E352-C356 PolarHBondContact O-N 2.86Å
353N98.6Very high98.5Very high95 Ų95101.3 Ų101.351%0.50850%0.5SS..Hα-helixtrans-61.4-43.9174.3-74.5-11.5000112R349 L351 C356 T357R349-N353 WeakPolarHBondContact O-CB 3.49Å; R349-N353 PolarHBondContact O-N 2.62Å; R349-N353 PolarHBondContact O-ND2 2.98Å; L351-N353 PolarHBondContact O-N 3.35Å; N353-C356 PolarHBondContact O-N 3.36Å; N353-T357 WeakPolarHBondContact O-CG2 3.33Å; N353-T357 PolarHBondContact O-N 2.88Å; N353-T357 PolarHBondContact O-OG1 3.49Å
354L98.6Very high98.4Very high114 Ų114101.4 Ų101.460%0.59750%0.5SS*.Hα-helixtrans-65.9-41.6177.7-74.9171.2000111.9K350 L351 E352 T357 N358K350-L354 WeakPolarHBondContact O-CB 3.39Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.25Å; K350-L354 PolarHBondContact O-N 3.46Å; L351-L354 CarbonylContact O-C 3.57Å; L351-L354 PolarHBondContact O-N 2.86Å; L351-L354 VanDerWaalsContact O-N 3.11Å; E352-L354 PolarHBondContact O-N 2.78Å; L354-T357 WeakPolarHBondContact CA-OG1 3.39Å; L354-T357 PolarHBondContact O-N 3.45Å; L354-T357 PolarHBondContact O-OG1 2.93Å; L354-N358 WeakPolarHBondContact O-CB 3.37Å; L354-N358 PolarHBondContact O-N 2.89Å
355E98.6Very high98.3Very high104 Ų104103.1 Ų103.149%0.48651%0.509SS..Hα-helixtrans-61.5-43.7173-74.8-177.6-152.200112L351 E352 N358 K359L351-E355 WeakPolarHBondContact O-CG 3.47Å; L351-E355 PolarHBondContact O-N 3.23Å; E352-E355 PolarHBondContact O-N 3.45Å; E355-N358 PolarHBondContact O-N 2.91Å; E355-K359 WeakPolarHBondContact O-CB 3.16Å; E355-K359 WeakPolarHBondContact O-CD 3.46Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 2.97Å; E355-K359 IonicContact OE2-NZ 3.18Å; E355-K359 PolarHBondContact OE2-NZ 3.06Å
356C98.4Very high98.2Very high73 Ų73106.4 Ų106.449%0.49352%0.518SS..Hα-helixtrans-61.8-46.7177.1-1760000111.7E352 N353 T360E352-C356 WeakPolarHBondContact O-CB 3.35Å; E352-C356 PolarHBondContact O-N 2.86Å; N353-C356 PolarHBondContact O-N 3.36Å; C356-T360 WeakPolarHBondContact O-CB 3.43Å; C356-T360 PolarHBondContact O-N 2.85Å; C356-T360 PolarHBondContact O-OG1 3.48Å
357T98.4Very high98.1Very high74 Ų74105.8 Ų105.845%0.45452%0.523SS..Hα-helixtrans-64.4-39.917557.10000112.3N353 L354 T360 L361N353-T357 WeakPolarHBondContact O-CG2 3.33Å; N353-T357 PolarHBondContact O-N 2.88Å; N353-T357 PolarHBondContact O-OG1 3.49Å; L354-T357 WeakPolarHBondContact CA-OG1 3.39Å; L354-T357 PolarHBondContact O-N 3.45Å; L354-T357 PolarHBondContact O-OG1 2.93Å; T357-T360 WeakPolarHBondContact O-CB 3.32Å; T357-T360 PolarHBondContact O-N 2.99Å; T357-L361 WeakPolarHBondContact O-CB 3.33Å; T357-L361 VanDerWaalsContact O-CG 3.3Å; T357-L361 WeakPolarHBondContact O-CG 3.38Å; T357-L361 PolarHBondContact O-N 3.34Å
358N98.3Very high97.9Very high91 Ų91106.8 Ų106.849%0.48753%0.529SS..Hα-helixtrans-64.3-47.4177.6-172.9-84.3000111.8L354 E355 T360 L361 I362L354-N358 WeakPolarHBondContact O-CB 3.37Å; L354-N358 PolarHBondContact O-N 2.89Å; E355-N358 PolarHBondContact O-N 2.91Å; N358-T360 VanDerWaalsContact C-N 3.29Å; N358-T360 PolarHBondContact O-N 3.4Å; N358-L361 PolarHBondContact O-N 3.39Å; N358-I362 WeakPolarHBondContact O-CG1 3.44Å; N358-I362 PolarHBondContact O-N 3.16Å; N358-I362 WeakPolarHBondContact OD1-CD1 3.41Å
359K98.4Very high97.6Very high128 Ų128104.8 Ų104.856%0.55753%0.527SS*.Hα-helixtrans-54.5-45.2172.2-73.1162.7-174.51600111.1E355 I362 Q363E355-K359 WeakPolarHBondContact O-CB 3.16Å; E355-K359 WeakPolarHBondContact O-CD 3.46Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 2.97Å; E355-K359 IonicContact OE2-NZ 3.18Å; E355-K359 PolarHBondContact OE2-NZ 3.06Å; K359-I362 PolarHBondContact O-N 3.42Å; K359-Q363 WeakPolarHBondContact O-CB 3.23Å; K359-Q363 PolarHBondContact O-N 2.68Å
360T98.4Very high97.2Very high60 Ų60101.3 Ų101.337%0.36853%0.528SS..Hα-helixtrans-62.9-45.1177.4-55.80000112.2C356 T357 N358 Q363 Q364C356-T360 WeakPolarHBondContact O-CB 3.43Å; C356-T360 PolarHBondContact O-N 2.85Å; C356-T360 PolarHBondContact O-OG1 3.48Å; T357-T360 WeakPolarHBondContact O-CB 3.32Å; T357-T360 PolarHBondContact O-N 2.99Å; N358-T360 VanDerWaalsContact C-N 3.29Å; N358-T360 PolarHBondContact O-N 3.4Å; T360-Q363 PolarHBondContact O-N 3.33Å; T360-Q364 WeakPolarHBondContact O-CG 3.25Å; T360-Q364 PolarHBondContact O-N 3.18Å
361L98.4Very high96.9Very high97 Ų9799.7 Ų99.751%0.50853%0.527SS..Hα-helixtrans-65.4-40.8178.2-72.3169.1000111.9T357 N358 Q364 L365T357-L361 WeakPolarHBondContact O-CB 3.33Å; T357-L361 VanDerWaalsContact O-CG 3.3Å; T357-L361 WeakPolarHBondContact O-CG 3.38Å; T357-L361 PolarHBondContact O-N 3.34Å; N358-L361 PolarHBondContact O-N 3.39Å; L361-Q364 PolarHBondContact O-N 3.39Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 3.36Å
362I98.1Very high96.4Very high80 Ų8098.3 Ų98.341%0.4152%0.522SS..Hα-helixtrans-61.1-45173.2-71.7173.3000110.3N358 K359 Q364 L365 H366N358-I362 WeakPolarHBondContact O-CG1 3.44Å; N358-I362 PolarHBondContact O-N 3.16Å; N358-I362 WeakPolarHBondContact OD1-CD1 3.41Å; K359-I362 PolarHBondContact O-N 3.42Å; I362-Q364 VanDerWaalsContact C-N 3.34Å; I362-Q364 PolarHBondContact O-N 3.01Å; I362-L365 PolarHBondContact O-N 3.44Å; I362-H366 PolarHBondContact O-CD2 3.04Å; I362-H366 PolarHBondContact O-N 2.93Å
363Q97.8Very high95.5Very high141 Ų14194.6 Ų94.666%0.65951%0.514SS*.Hα-helixtrans-61.9-40176.5-167.4179.819.500112.3K359 T360 H366 S367K359-Q363 WeakPolarHBondContact O-CB 3.23Å; K359-Q363 PolarHBondContact O-N 2.68Å; T360-Q363 PolarHBondContact O-N 3.33Å; Q363-H366 PolarHBondContact O-N 3.48Å; Q363-S367 WeakPolarHBondContact O-CB 3.5Å; Q363-S367 PolarHBondContact O-N 3.11Å
364Q97.5Very high93.9Very high119 Ų11993.3 Ų93.356%0.55652%0.523SS*.Hα-helixtrans-64.1-41.6173.2-73177.5-0.300112.2T360 L361 I362 S367 L368T360-Q364 WeakPolarHBondContact O-CG 3.25Å; T360-Q364 PolarHBondContact O-N 3.18Å; L361-Q364 PolarHBondContact O-N 3.39Å; I362-Q364 VanDerWaalsContact C-N 3.34Å; I362-Q364 PolarHBondContact O-N 3.01Å; Q364-S367 PolarHBondContact O-N 2.85Å; Q364-L368 WeakPolarHBondContact O-CB 3.43Å; Q364-L368 PolarHBondContact O-N 3.32Å
365L97.1Very high92.2Very high115 Ų11595.8 Ų95.860%0.60253%0.529SS*.Hα-helixtrans-63.7-44.7175.5-74.3172000111.9L361 I362 S367 L368 Q369L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 3.36Å; I362-L365 PolarHBondContact O-N 3.44Å; L365-S367 PolarHBondContact O-N 3.17Å; L365-L368 PolarHBondContact O-N 3.32Å; L365-Q369 VanDerWaalsContact O-CB 3.31Å; L365-Q369 WeakPolarHBondContact O-CB 3.47Å; L365-Q369 PolarHBondContact O-N 3.14Å
366H96.5Very high90Very high122 Ų12295 Ų9557%0.56553%0.531SS*.Hα-helixtrans-61.4-42.8174.4-85.7-79.1000112.2I362 Q363 Q369 A370I362-H366 PolarHBondContact O-CD2 3.04Å; I362-H366 PolarHBondContact O-N 2.93Å; Q363-H366 PolarHBondContact O-N 3.48Å; H366-Q369 PolarHBondContact O-N 3.38Å; H366-A370 WeakPolarHBondContact O-CB 3.48Å; H366-A370 PolarHBondContact O-N 3.08Å
367S94.8Very high87.6Confident74 Ų7496 Ų9652%0.51754%0.536SS..Hα-helixtrans-61.1-44.8175.3-176.10000111.8Q363 Q364 L365 A370 V371Q363-S367 WeakPolarHBondContact O-CB 3.5Å; Q363-S367 PolarHBondContact O-N 3.11Å; Q364-S367 PolarHBondContact O-N 2.85Å; L365-S367 PolarHBondContact O-N 3.17Å; S367-A370 PolarHBondContact O-N 3.45Å; S367-V371 WeakPolarHBondContact O-CG2 3.25Å; S367-V371 PolarHBondContact O-N 3.1Å
368L95.1Very high85.3Confident108 Ų108103.4 Ų103.457%0.56556%0.556SS**Hα-helixtrans-65.2-43.1176.6-167.772.2000111.6Q364 L365 A370 V371 V372Q364-L368 WeakPolarHBondContact O-CB 3.43Å; Q364-L368 PolarHBondContact O-N 3.32Å; L365-L368 PolarHBondContact O-N 3.32Å; L368-A370 VanDerWaalsContact C-N 3.33Å; L368-A370 PolarHBondContact O-N 3.17Å; L368-V371 PolarHBondContact O-N 3.38Å; L368-V372 HydrophobicContact CG-CG2 4.47Å; L368-V372 WeakPolarHBondContact O-CB 3.39Å; L368-V372 WeakPolarHBondContact O-CG2 3.3Å; L368-V372 PolarHBondContact O-N 3.44Å
369Q92.9Very high83Confident130 Ų130103.9 Ų103.961%0.60757%0.567SS**Hα-helixtrans-61.2-40.9176.4-175.8178.4-3.200111.4L365 H366 V372 A373L365-Q369 VanDerWaalsContact O-CB 3.31Å; L365-Q369 WeakPolarHBondContact O-CB 3.47Å; L365-Q369 PolarHBondContact O-N 3.14Å; H366-Q369 PolarHBondContact O-N 3.38Å; Q369-V372 PolarHBondContact O-N 3.41Å; Q369-A373 WeakPolarHBondContact O-CB 3.34Å; Q369-A373 PolarHBondContact O-N 3.37Å
370A90.8Very high80.3Confident68 Ų68103.1 Ų103.156%0.56258%0.576SS**Hα-helixtrans-62.6-44.9174.200000111.9H366 S367 L368 V372 G374H366-A370 WeakPolarHBondContact O-CB 3.48Å; H366-A370 PolarHBondContact O-N 3.08Å; S367-A370 PolarHBondContact O-N 3.45Å; L368-A370 VanDerWaalsContact C-N 3.33Å; L368-A370 PolarHBondContact O-N 3.17Å; A370-V372 PolarHBondContact O-N 3.43Å; A370-G374 PolarHBondContact O-N 3.13Å
371V91Very high77.6Confident66 Ų66108.7 Ų108.740%0.460%0.595SS.*Hα-helixtrans-65.6-37.7177.8172.90000112.2S367 L368 K375S367-V371 WeakPolarHBondContact O-CG2 3.25Å; S367-V371 PolarHBondContact O-N 3.1Å; L368-V371 PolarHBondContact O-N 3.38Å; V371-K375 HydrophobicContact CG1-CD 3.98Å; V371-K375 WeakPolarHBondContact O-CB 3.46Å; V371-K375 WeakPolarHBondContact O-CD 3.29Å; V371-K375 VanDerWaalsContact O-CG 3.29Å; V371-K375 WeakPolarHBondContact O-CG 3.42Å; V371-K375 PolarHBondContact O-N 3.39Å
372V88.4Confident75.1Confident75 Ų75110 Ų11046%0.45561%0.607SS.*Hα-helixtrans-74-44.8177.1173.10000110.9L368 Q369 A370 G374 K375 V376L368-V372 HydrophobicContact CG-CG2 4.47Å; L368-V372 WeakPolarHBondContact O-CB 3.39Å; L368-V372 WeakPolarHBondContact O-CG2 3.3Å; L368-V372 PolarHBondContact O-N 3.44Å; Q369-V372 PolarHBondContact O-N 3.41Å; A370-V372 PolarHBondContact O-N 3.43Å; V372-G374 PolarHBondContact O-N 3.31Å; V372-K375 PolarHBondContact O-N 3.35Å; V372-V376 HydrophobicContact CG1-CG2 3.89Å; V372-V376 WeakPolarHBondContact O-CG2 3.43Å; V372-V376 PolarHBondContact O-N 3.37Å
373A79.4Confident72.7Confident52 Ų52110.8 Ų110.843%0.4362%0.616SS.*Hα-helixtrans-63.6-26.2176.800000113.1Q369Q369-A373 WeakPolarHBondContact O-CB 3.34Å; Q369-A373 PolarHBondContact O-N 3.37Å
374G66.1Low70.7Confident68 Ų68107.7 Ų107.770%0.70162%0.621SS**Hα-helixtrans-80.9-17.8170.600000115A370 V372A370-G374 PolarHBondContact O-N 3.13Å; V372-G374 PolarHBondContact O-N 3.31Å
375K61.2Low68.4Low166 Ų166107.5 Ų107.572%0.72263%0.628SS**Hα-helixtrans-107.7-20.2-176.7-74.4174.3-178.5170.50114.4V371 V372 P377V371-K375 HydrophobicContact CG1-CD 3.98Å; V371-K375 WeakPolarHBondContact O-CB 3.46Å; V371-K375 WeakPolarHBondContact O-CD 3.29Å; V371-K375 VanDerWaalsContact O-CG 3.29Å; V371-K375 WeakPolarHBondContact O-CG 3.42Å; V371-K375 PolarHBondContact O-N 3.39Å; V372-K375 PolarHBondContact O-N 3.35Å; K375-P377 WeakPolarHBondContact O-CD 3.4Å
376V52.4Low66.4Low89 Ų89108.6 Ų108.654%0.53963%0.63SS.*SBendtrans-88.5111.4170.3-178.20000108V372 R378V372-V376 HydrophobicContact CG1-CG2 3.89Å; V372-V376 WeakPolarHBondContact O-CG2 3.43Å; V372-V376 PolarHBondContact O-N 3.37Å; V376-R378 PolarHBondContact O-N 2.68Å
377P49.2Very low64.3Low92 Ų92108 Ų10860%0.59764%0.635SS**  trans-59.5136.4170.925.7-32.8000108.8K375 S379K375-P377 WeakPolarHBondContact O-CD 3.4Å; P377-S379 PolarHBondContact O-N 3.48Å
378R50Low62.9Low231 Ų231107.8 Ų107.887%0.87263%0.634SS**  trans-71.558.1170.3-72.1-173178.787.4-7.7110.8V376V376-R378 PolarHBondContact O-N 2.68Å
379S49.4Very low61.8Low101 Ų101104.9 Ų104.971%0.70662%0.623SS**  trans-9514.7177.360.50000113P377 K381P377-S379 PolarHBondContact O-N 3.48Å; S379-K381 VanDerWaalsContact C-N 3.32Å
380C43.1Very low60.7Low112 Ų112102.7 Ų102.776%0.75762%0.621SS**  trans-96.960.8158.4-160.90000109.9V382C380-V382 PolarHBondContact O-N 2.99Å
381K40.1Very low60.4Low177 Ų177104.7 Ų104.777%0.7762%0.621SS**  trans-62.7118.1151.3171.3171.5173.6171.80105.4S379 T383S379-K381 VanDerWaalsContact C-N 3.32Å; K381-T383 PolarHBondContact O-N 3.15Å
382V47.5Very low59.9Low123 Ų123107.8 Ų107.875%0.74563%0.633SS**  trans-66.284.1173.6177.20000108.5C380 G384C380-V382 PolarHBondContact O-N 2.99Å; V382-G384 PolarHBondContact O-N 2.86Å
383T47.6Very low59.7Low98 Ų98108.5 Ų108.560%0.60164%0.637SS**  trans-70.7115.6152.8-62.40000105.3K381 T385K381-T383 PolarHBondContact O-N 3.15Å; T383-T385 VanDerWaalsContact C-N 3.34Å; T383-T385 HydrophobicContact CG2-CG2 4.46Å; T383-T385 PolarHBondContact O-N 2.83Å
384G53.8Low60.1Low75 Ų75109.3 Ų109.377%0.77364%0.637SS**  trans-67.781.8-16900000113.9V382V382-G384 PolarHBondContact O-N 2.86Å
385T49.8Very low61.2Low115 Ų115110.6 Ų110.671%0.70663%0.631SS**  trans-112.592.1173.855.20000111.2T383 T387T383-T385 VanDerWaalsContact C-N 3.34Å; T383-T385 HydrophobicContact CG2-CG2 4.46Å; T383-T385 PolarHBondContact O-N 2.83Å; T385-T387 PolarHBondContact O-N 3.13Å
386Q55.3Low62.3Low139 Ų139107.9 Ų107.965%0.6562%0.624SS**  trans62.742.2147.1-138-174.239.600118.6S388 S389Q386-S388 WeakPolarHBondContact CG-OG 3.42Å; Q386-S388 PolarHBondContact O-N 2.92Å; Q386-S388 VanDerWaalsContact O-N 3.08Å; Q386-S389 VanDerWaalsContact CG-OG 3.25Å; Q386-S389 WeakPolarHBondContact CG-OG 3.44Å; Q386-S389 PolarHBondContact O-N 3Å; Q386-S389 PolarHBondContact OE1-OG 3.18Å
387T52.8Low63.9Low108 Ų108107.6 Ų107.666%0.66363%0.625SS**Hα-helixtrans-53.3-25.9163.6-35.90000112.4T385 S389 C390 L391T385-T387 PolarHBondContact O-N 3.13Å; T387-S389 VanDerWaalsContact C-N 3.26Å; T387-S389 PolarHBondContact O-N 2.98Å; T387-C390 PolarHBondContact O-N 3.05Å; T387-L391 PolarHBondContact O-N 3.45Å
388S64.3Low65.6Low70 Ų70109.6 Ų109.649%0.4962%0.624SS.*Hα-helixtrans-55.3-34.1171.351.70000113.6Q386 L391 M392Q386-S388 WeakPolarHBondContact CG-OG 3.42Å; Q386-S388 PolarHBondContact O-N 2.92Å; Q386-S388 VanDerWaalsContact O-N 3.08Å; S388-L391 PolarHBondContact O-N 3.24Å; S388-M392 VanDerWaalsContact O-CB 3.25Å; S388-M392 WeakPolarHBondContact O-CB 3.27Å; S388-M392 WeakPolarHBondContact O-CG 3.33Å; S388-M392 PolarHBondContact O-N 2.9Å
389S72.6Confident67.2Low47 Ų47101.4 Ų101.433%0.32961%0.606SS.*Hα-helixtrans-66.8-40.3178.1-71.60000112.6Q386 T387 M392 V393Q386-S389 VanDerWaalsContact CG-OG 3.25Å; Q386-S389 WeakPolarHBondContact CG-OG 3.44Å; Q386-S389 PolarHBondContact O-N 3Å; Q386-S389 PolarHBondContact OE1-OG 3.18Å; T387-S389 VanDerWaalsContact C-N 3.26Å; T387-S389 PolarHBondContact O-N 2.98Å; S389-M392 PolarHBondContact O-N 3.31Å; S389-V393 WeakPolarHBondContact O-CG2 3.48Å; S389-V393 PolarHBondContact O-N 2.85Å
390C69.5Low68.8Low84 Ų84100.8 Ų100.857%0.56860%0.598SS**Hα-helixtrans-66.3-44.8176.9-1770000110.9T387 M392 V393 V394T387-C390 PolarHBondContact O-N 3.05Å; C390-M392 PolarHBondContact O-N 2.98Å; C390-V393 PolarHBondContact O-N 3.37Å; C390-V394 WeakPolarHBondContact O-CG2 3.36Å; C390-V394 PolarHBondContact O-N 3.02Å
391L84.6Confident70.7Confident110 Ų110101.7 Ų101.758%0.57659%0.589SS**Hα-helixtrans-63.1-40.3175.3-63.8175.7000112T387 S388 V393 V394 V395T387-L391 PolarHBondContact O-N 3.45Å; S388-L391 PolarHBondContact O-N 3.24Å; L391-V393 PolarHBondContact O-N 2.87Å; L391-V394 PolarHBondContact O-N 3.05Å; L391-V395 WeakPolarHBondContact O-CB 3.46Å; L391-V395 VanDerWaalsContact O-CG2 3.3Å; L391-V395 WeakPolarHBondContact O-CG2 3.41Å; L391-V395 PolarHBondContact O-N 2.96Å
392M80.6Confident72.6Confident132 Ų13298.1 Ų98.165%0.6558%0.578SS**Hα-helixtrans-61.8-39.4174.1-75.7-76.2-72.600112.2S388 S389 C390 L396S388-M392 VanDerWaalsContact O-CB 3.25Å; S388-M392 WeakPolarHBondContact O-CB 3.27Å; S388-M392 WeakPolarHBondContact O-CG 3.33Å; S388-M392 PolarHBondContact O-N 2.9Å; S389-M392 PolarHBondContact O-N 3.31Å; C390-M392 PolarHBondContact O-N 2.98Å; M392-L396 WeakPolarHBondContact O-CB 3.38Å; M392-L396 PolarHBondContact O-N 3.11Å
393V85.3Confident73.7Confident89 Ų8994.6 Ų94.654%0.53957%0.566SS.*Hα-helixtrans-66.4-41.9175169.80000111.3S389 C390 L391 L396 C397S389-V393 WeakPolarHBondContact O-CG2 3.48Å; S389-V393 PolarHBondContact O-N 2.85Å; C390-V393 PolarHBondContact O-N 3.37Å; L391-V393 PolarHBondContact O-N 2.87Å; V393-L396 PolarHBondContact O-N 3.01Å; V393-C397 PolarHBondContact O-N 3.34Å; V393-C397 PolarHBondContact O-SG 3.44Å
394V87.6Confident74.7Confident70 Ų7094 Ų9442%0.42457%0.566SS.*Hα-helixtrans-63.4-47.4175.5173.60000111C390 L391 L396 C397 F398C390-V394 WeakPolarHBondContact O-CG2 3.36Å; C390-V394 PolarHBondContact O-N 3.02Å; L391-V394 PolarHBondContact O-N 3.05Å; V394-L396 VanDerWaalsContact C-N 3.33Å; V394-L396 PolarHBondContact O-N 2.88Å; V394-C397 WeakPolarHBondContact O-CB 3.38Å; V394-C397 PolarHBondContact O-N 3.01Å; V394-F398 HydrophobicContact CG1-CD2 3.9Å; V394-F398 HydrophobicContact CG1-CE2 3.85Å; V394-F398 WeakPolarHBondContact O-CD2 3.42Å; V394-F398 PolarHBondContact O-N 2.88Å
395V88.1Confident75.2Confident95 Ų9596.8 Ų96.858%0.57656%0.557SS**Hα-helixtrans-61.2-40.7176.3170.40000111.4L391 F398 A399L391-V395 WeakPolarHBondContact O-CB 3.46Å; L391-V395 VanDerWaalsContact O-CG2 3.3Å; L391-V395 WeakPolarHBondContact O-CG2 3.41Å; L391-V395 PolarHBondContact O-N 2.96Å; V395-F398 PolarHBondContact O-N 2.91Å; V395-A399 WeakPolarHBondContact O-CB 3.47Å; V395-A399 PolarHBondContact O-N 3.21Å
396L84.6Confident75.9Confident109 Ų109100.4 Ų100.457%0.57156%0.559SS**Hα-helixtrans-64.4-41175.2-177.164000111.9M392 V393 V394 A399 V400M392-L396 WeakPolarHBondContact O-CB 3.38Å; M392-L396 PolarHBondContact O-N 3.11Å; V393-L396 PolarHBondContact O-N 3.01Å; V394-L396 VanDerWaalsContact C-N 3.33Å; V394-L396 PolarHBondContact O-N 2.88Å; L396-A399 PolarHBondContact O-N 3.44Å; L396-V400 HydrophobicContact CD1-CG2 4.21Å; L396-V400 HydrophobicContact CG-CG2 4.46Å; L396-V400 WeakPolarHBondContact O-CB 3.35Å; L396-V400 WeakPolarHBondContact O-CG2 3.44Å; L396-V400 PolarHBondContact O-N 2.93Å
397C86.1Confident75.9Confident83 Ų8399.6 Ų99.656%0.56157%0.566SS**Hα-helixtrans-59.8-45.5172.7-78.90000111.8V393 V394 F401V393-C397 PolarHBondContact O-N 3.34Å; V393-C397 PolarHBondContact O-SG 3.44Å; V394-C397 WeakPolarHBondContact O-CB 3.38Å; V394-C397 PolarHBondContact O-N 3.01Å; C397-F401 VanDerWaalsContact O-CB 3.25Å; C397-F401 WeakPolarHBondContact O-CB 3.43Å; C397-F401 PolarHBondContact O-N 3.06Å
398F84.9Confident75.9Confident134 Ų13499.3 Ų99.359%0.58857%0.568SS**Hα-helixtrans-63.7-41175-84.9-75.4000112.6V394 V395 F401 L402V394-F398 HydrophobicContact CG1-CD2 3.9Å; V394-F398 HydrophobicContact CG1-CE2 3.85Å; V394-F398 WeakPolarHBondContact O-CD2 3.42Å; V394-F398 PolarHBondContact O-N 2.88Å; V395-F398 PolarHBondContact O-N 2.91Å; F398-F401 PolarHBondContact O-N 3.45Å; F398-L402 WeakPolarHBondContact O-CB 3.25Å; F398-L402 WeakPolarHBondContact O-CG 3.46Å; F398-L402 PolarHBondContact O-N 3.38Å
399A82.9Confident75.2Confident58 Ų58104.2 Ų104.248%0.47959%0.588SS.*Hα-helixtrans-66.7-41.8178.900000112.8V395 L396 G403V395-A399 WeakPolarHBondContact O-CB 3.47Å; V395-A399 PolarHBondContact O-N 3.21Å; L396-A399 PolarHBondContact O-N 3.44Å; A399-G403 WeakPolarHBondContact O-CA 3.48Å; A399-G403 PolarHBondContact O-N 2.86Å
400V82.8Confident73.8Confident89 Ų89105.5 Ų105.554%0.53961%0.609SS.*Hα-helixtrans-68-39.3175.3172.10000110.9L396 S404L396-V400 HydrophobicContact CD1-CG2 4.21Å; L396-V400 HydrophobicContact CG-CG2 4.46Å; L396-V400 WeakPolarHBondContact O-CB 3.35Å; L396-V400 WeakPolarHBondContact O-CG2 3.44Å; L396-V400 PolarHBondContact O-N 2.93Å; V400-S404 VanDerWaalsContact O-CB 3.31Å; V400-S404 WeakPolarHBondContact O-CB 3.43Å; V400-S404 PolarHBondContact O-N 2.98Å; V400-S404 PolarHBondContact O-OG 3.25Å
401F84.6Confident72.6Confident130 Ų130107.3 Ų107.357%0.5762%0.62SS**Hα-helixtrans-62.4-60175.9-164.2-102.4000110.5C397 F398 G403 S404 F405C397-F401 VanDerWaalsContact O-CB 3.25Å; C397-F401 WeakPolarHBondContact O-CB 3.43Å; C397-F401 PolarHBondContact O-N 3.06Å; F398-F401 PolarHBondContact O-N 3.45Å; F401-G403 PolarHBondContact O-N 2.75Å; F401-S404 WeakPolarHBondContact O-CB 3.13Å; F401-S404 PolarHBondContact O-N 3.47Å; F401-S404 VanDerWaalsContact O-N 3.1Å; F401-F405 HydrophobicContact CD1-CD2 4.04Å; F401-F405 AromaticContact CD1-CE2 3.68Å; F401-F405 HydrophobicContact CD1-CE2 3.68Å; F401-F405 AromaticContact CD2-CE2 4Å; F401-F405 HydrophobicContact CD2-CE2 4Å; F401-F405 HydrophobicContact CE1-CD2 4.12Å; F401-F405 AromaticContact CE1-CE2 3.46Å; F401-F405 HydrophobicContact CE1-CE2 3.46Å; F401-F405 VanDerWaalsContact CE1-CE2 3.46Å; F401-F405 HydrophobicContact CE1-CZ 4.3Å; F401-F405 AromaticContact CE2-CE2 3.79Å; F401-F405 HydrophobicContact CE2-CE2 3.79Å; F401-F405 HydrophobicContact CE2-CZ 4.32Å; F401-F405 HydrophobicContact CG-CD2 4.43Å; F401-F405 AromaticContact CG-CE2 3.95Å; F401-F405 HydrophobicContact CG-CE2 3.95Å; F401-F405 AromaticContact CZ-CE2 3.52Å; F401-F405 HydrophobicContact CZ-CE2 3.52Å; F401-F405 HydrophobicContact CZ-CZ 4.02Å; F401-F405 WeakPolarHBondContact O-CD2 3.42Å; F401-F405 PolarHBondContact O-N 3.19Å
402L79.1Confident70.1Confident103 Ų103108 Ų10854%0.53963%0.632SS.*Hα-helixtrans-61.8-40.1-179.1-67.9169.1000112.9F398 S404 F405 Y406F398-L402 WeakPolarHBondContact O-CB 3.25Å; F398-L402 WeakPolarHBondContact O-CG 3.46Å; F398-L402 PolarHBondContact O-N 3.38Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 2.63Å; L402-F405 PolarHBondContact O-N 3.18Å; L402-Y406 PolarHBondContact O-N 3.03Å
403G70.6Confident67.8Low49 Ų49107.5 Ų107.551%0.50564%0.641SS.*Hα-helixtrans-64.5-29.3175.600000113.6A399 F401A399-G403 WeakPolarHBondContact O-CA 3.48Å; A399-G403 PolarHBondContact O-N 2.86Å; F401-G403 PolarHBondContact O-N 2.75Å
404S67.9Low65.2Low85 Ų85108.5 Ų108.559%0.59465%0.652SS**Hα-helixtrans-75.7-23.6174.7-58.90000113.1V400 F401 L402V400-S404 VanDerWaalsContact O-CB 3.31Å; V400-S404 WeakPolarHBondContact O-CB 3.43Å; V400-S404 PolarHBondContact O-N 2.98Å; V400-S404 PolarHBondContact O-OG 3.25Å; F401-S404 WeakPolarHBondContact O-CB 3.13Å; F401-S404 PolarHBondContact O-N 3.47Å; F401-S404 VanDerWaalsContact O-N 3.1Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 2.63Å
405F65.2Low62.7Low134 Ų134112 Ų11259%0.58867%0.667SS**Hα-helixtrans-84.2-10.9176.2-73.2-72.4000114F401 L402 P407F401-F405 HydrophobicContact CD1-CD2 4.04Å; F401-F405 AromaticContact CD1-CE2 3.68Å; F401-F405 HydrophobicContact CD1-CE2 3.68Å; F401-F405 AromaticContact CD2-CE2 4Å; F401-F405 HydrophobicContact CD2-CE2 4Å; F401-F405 HydrophobicContact CE1-CD2 4.12Å; F401-F405 AromaticContact CE1-CE2 3.46Å; F401-F405 HydrophobicContact CE1-CE2 3.46Å; F401-F405 VanDerWaalsContact CE1-CE2 3.46Å; F401-F405 HydrophobicContact CE1-CZ 4.3Å; F401-F405 AromaticContact CE2-CE2 3.79Å; F401-F405 HydrophobicContact CE2-CE2 3.79Å; F401-F405 HydrophobicContact CE2-CZ 4.32Å; F401-F405 HydrophobicContact CG-CD2 4.43Å; F401-F405 AromaticContact CG-CE2 3.95Å; F401-F405 HydrophobicContact CG-CE2 3.95Å; F401-F405 AromaticContact CZ-CE2 3.52Å; F401-F405 HydrophobicContact CZ-CE2 3.52Å; F401-F405 HydrophobicContact CZ-CZ 4.02Å; F401-F405 WeakPolarHBondContact O-CD2 3.42Å; F401-F405 PolarHBondContact O-N 3.19Å; L402-F405 PolarHBondContact O-N 3.18Å; F405-P407 VanDerWaalsContact C-CD 3.41Å; F405-P407 WeakPolarHBondContact O-CD 3.34Å
406Y63.8Low60.1Low191 Ų191113.2 Ų113.275%0.74968%0.675SS**  trans-121.167.8176.4-75-85.3000113.3L402 S408L402-Y406 PolarHBondContact O-N 3.03Å; Y406-S408 PolarHBondContact O-N 2.88Å
407P55.2Low57.6Low121 Ų121115.5 Ų115.579%0.78668%0.683SS**  trans-79.551.517736.7-37.9000112.1F405F405-P407 VanDerWaalsContact C-CD 3.41Å; F405-P407 WeakPolarHBondContact O-CD 3.34Å
408S53.2Low55Low102 Ų102117.8 Ų117.871%0.71369%0.694SS**  trans-151.238-176.1-169.10000116.3Y406Y406-S408 PolarHBondContact O-N 2.88Å
409L51Low52.5Low174 Ų174114.2 Ų114.291%0.91170%0.696SS**  trans-146.585.3152.3-78.5-173.1000109.7
410G42.1Very low50Low73 Ų73119.9 Ų119.975%0.75372%0.717SS**  trans-77.3156.216600000111.4
411P43.9Very low47.4Very low123 Ų123120.8 Ų120.880%0.79973%0.727SS**  -132.6127.5117.910.610.4000114.4
412C33Very low44.9Very low125 Ų125124.4 Ų124.485%0.84574%0.737SS**  trans27.4114.1145.1-57.30000121.5
413S32.7Very low42.4Very low120 Ų120124.5 Ų124.584%0.83974%0.738SS**  -174.5107.7122.1-77.80000108.7
414S30.4Very low40.5Very low110 Ų110130.6 Ų130.677%0.76976%0.756SS**  62.9104.686.8178.40000114.7
415I35.2Very low38.6Very low145 Ų145130.9 Ų130.974%0.74476%0.763SS**  161.7131.2115-158.1159.6000112.5
416T32.5Very low36.8Very low120 Ų120132.5 Ų132.574%0.73678%0.775SS**  trans50148.9153.651.80000122.1
417E31.9Very low35Very low157 Ų157130.7 Ų130.773%0.73477%0.773SS**  cis-174.5158.3-14.6-163.4-163.4145.900108.2
418T32.6Very low33.9Very low130 Ų130133.2 Ų133.280%0.79877%0.774SS**  trans65.3154.7168.174.90000118.2
419G31.1Very low33.3Very low60 Ų60132.4 Ų132.462%0.61977%0.769SS**  cis152.2124.6-9.100000113.6
420L31.2Very low32.4Very low176 Ų176134.3 Ų134.392%0.92177%0.765SS**  trans65.1136.2176.8-61.7121.1000116.7
421S27.3Very low32.1Very low108 Ų108137.5 Ų137.576%0.75577%0.77SS**  cis101115.219.2-168.60000115.2
422R32.6Very low31.4Very low206 Ų206135.5 Ų135.578%0.77776%0.764SS**  136.5131.8124.1-167.3164.2-174104.827.2118
423D28.1Very low31.6Very low105 Ų105136.7 Ų136.756%0.56177%0.768SS**  trans51.9124.4154.7-65-2.8000121.2
424M30.2Very low31.6Very low178 Ų178137.3 Ų137.388%0.87777%0.766SS**  91.5116.856.4-80.1-154.876.100115
425A28.2Very low32Very low91 Ų91141.9 Ų141.975%0.75277%0.772SS**  trans-175.5119.4151.700000108.9
426M27.2Very low32.5Very low168 Ų168139 Ų13983%0.82876%0.764SS**  88.6132.185.6-164.7-178.5-173.700111.8
427Q25.5Very low33.1Very low153 Ų153144.5 Ų144.572%0.71577%0.772SS**  cis-168.9159-7.9164.5174.5-18.800110
428E31Very low33Very low173 Ų173143 Ų14381%0.80878%0.779SS**  trans-80.4168.4178.1-59.6-176.9125.900115.7
429S40.9Very low33.1Very low86 Ų86144 Ų14460%0.60178%0.779SS**  trans134157.5148.4-550000112
430Y33.3Very low33.2Very low213 Ų213148.8 Ų148.884%0.83579%0.789SS**  cis-151.7177.122.4-41.2-100.8000112
431T34.4Very low33Very low141 Ų141146.2 Ų146.287%0.86579%0.786SS**  trans-116.8-177.2179.868.90000111.2
432A30.8Very low33.3Very low80 Ų80149.7 Ų149.766%0.66178%0.783SS**  cis-162.1162.23.500000110
433T37.1Very low33.1Very low151 Ų151149.4 Ų149.493%0.92679%0.791SS**  trans-150.4152.7151.728.20000114.4
434V31.5Very low33.4Very low132 Ų132151 Ų15180%0.880%0.795SS**  trans-135.5147.6-164.61710000111
435K39.3Very low33.3Very low206 Ų206154.1 Ų154.190%0.89680%0.797SS**  trans-151.9142.5148-153.4155.7-175.7170.40113.3
436S44.9Very low33.5Very low84 Ų84152.9 Ų152.959%0.58779%0.793SS**  trans-128.6-177.8-175.364.30000112.3
437R44.9Very low34Very low237 Ų237152.5 Ų152.589%0.89479%0.794SS**  trans97.9142.8174.1-53146.2-169.7-140.4-2.8113.1
438S30.2Very low34.5Very low126 Ų126152 Ų15288%0.88180%0.796SS**  cis-143.7172.612.8-162.40000113.7
439L34.5Very low34.7Very low151 Ų151152.4 Ų152.479%0.79180%0.798SS**  trans-106.5176.6-173-122.7169.3000112.9
440L34.8Very low34.7Very low160 Ų160153 Ų15384%0.83880%0.799SS**  trans82.1132.3169.3-62.8146.6000115.7
441S26.6Very low34.8Very low121 Ų121151.9 Ų151.985%0.84680%0.802SS**  cis-143.1-177.143.149.70000114.9
442Y33.3Very low34.6Very low181 Ų181153.4 Ų153.471%0.7180%0.803SS**  trans-131.4136.7-167.8-178.2-93.6000109.2E444Y442-E444 HydrophobicContact CD1-CB 4.3Å; Y442-E444 HydrophobicContact CE1-CB 3.54Å; Y442-E444 HydrophobicContact CE1-CG 4.43Å
443E27.8Very low35.3Very low200 Ų200157.6 Ų157.694%0.93581%0.814SS**  trans-142.7149.2149.7-167.6145-151.900109.7
444E34.8Very low35Very low138 Ų138153.8 Ų153.865%0.64581%0.805SS**  trans-120.4164-156.8155.5-177.4-161.900110.5Y442Y442-E444 HydrophobicContact CD1-CB 4.3Å; Y442-E444 HydrophobicContact CE1-CB 3.54Å; Y442-E444 HydrophobicContact CE1-CG 4.43Å
445R28.2Very low35Very low245 Ų245156.2 Ų156.293%0.92581%0.812SS**  trans90.9120.4173.6-158.9-173.6-53.6-167.62.7114.4
446G32.2Very low35Very low65 Ų65150.3 Ų150.367%0.6781%0.81SS**  cis148.6146.9-7.100000112.5
447L38.8Very low34.3Very low160 Ų160149.8 Ų149.884%0.83882%0.818SS**  trans68.1141.4171.4-90.950.3000117.9
448D34.3Very low33.8Very low143 Ų143146.4 Ų146.477%0.76582%0.817SS**  cis-172.8-175.9-20.5-116.85.9000111.1
449E35.4Very low34.1Very low180 Ų180151.5 Ų151.584%0.84182%0.819SS**  trans96.4143.5164.5-78.9-103.1104.800119.1
450P42.1Very low34.5Very low98 Ų98148.8 Ų148.864%0.63681%0.811SS**  -138.7-179.1-127.735.6-12.3000115.3
451H35.1Very low34.8Very low191 Ų191149.4 Ų149.488%0.88482%0.815SS**  trans-82.4138.2164-72.9-63.9000111.8
452L30.9Very low35.6Very low172 Ų172150 Ų15090%0.90180%0.804SS**  trans-141.1130.9157.4-114.2171.7000110.3
453L44.4Very low35.9Very low168 Ų168148.5 Ų148.588%0.8881%0.808SS**  trans-99.9147.3178.9-75168.6000110.9
454G30.2Very low36.7Very low72 Ų72147 Ų14774%0.74280%0.8SS**  trans95.8116.7153.500000116.4
455L32.6Very low37.3Very low182 Ų182149.2 Ų149.295%0.95380%0.803SS**  -172.2155.2116.4-95.2166.1000108.9
456G39.3Very low38.6Very low82 Ų82141 Ų14185%0.84578%0.781SS**  trans-72.5159.8-172.800000114.3
457G29.1Very low39.5Very low73 Ų73142.1 Ų142.175%0.75378%0.775SS**  trans-151.9139.717100000110.1
458D36.3Very low40.7Very low166 Ų166139.4 Ų139.489%0.88877%0.765SS**PPolyproline II helixtrans-67151.9-167.5-58.2-80.3000114.9
459Y35.3Very low42.3Very low233 Ų233137.5 Ų137.591%0.91476%0.758SS**PPolyproline II helixtrans-83.1125.2174.9-129.6-94.3000110.1
460P42.3Very low43.7Very low95 Ų95134.3 Ų134.362%0.61775%0.745SS**PPolyproline II helixtrans-90.1132.4170.532.8-30.2000111.5Q462P460-Q462 PolarHBondContact O-N 3.35Å
461D42.2Very low44.7Very low172 Ų172132 Ų13292%0.9273%0.734SS**  trans-54.6108.8172.4-85.8-59000112.2
462Q42.6Very low46.2Very low135 Ų135125.8 Ų125.863%0.63172%0.715SS**  trans-129.517.5178.1-162.316294.900113.3P460 E464 R465 P466P460-Q462 PolarHBondContact O-N 3.35Å; Q462-E464 VanDerWaalsContact C-N 3.34Å; Q462-E464 PolarHBondContact O-N 2.99Å; Q462-R465 HydrophobicContact CG-CB 4.42Å; Q462-P466 WeakPolarHBondContact O-CD 3.38Å
463L40Very low47.9Very low149 Ų149124.9 Ų124.978%0.7870%0.7SS**SBendtrans-73.7-20.8-177.8-156.767.5000114
464E45.2Very low48.8Very low167 Ų167125.6 Ų125.678%0.7869%0.691SS**Hα-helixtrans-81.6-27.9-178.7-63.4-166.514300114.3Q462 T467 V468Q462-E464 VanDerWaalsContact C-N 3.34Å; Q462-E464 PolarHBondContact O-N 2.99Å; E464-T467 PolarHBondContact O-N 3.36Å; E464-V468 PolarHBondContact O-N 3.46Å
465R47.8Very low50.2Low186 Ų186125.7 Ų125.770%0.70268%0.681SS**Hα-helixtrans-64.2-42.2-175.7-92-175.9155.884.72.2114.6Q462 T467 V468 V469Q462-R465 HydrophobicContact CG-CB 4.42Å; R465-T467 VanDerWaalsContact C-N 3.29Å; R465-T467 PolarHBondContact O-N 2.96Å; R465-V468 PolarHBondContact O-N 3.41Å; R465-V469 WeakPolarHBondContact O-CG2 3.46Å; R465-V469 PolarHBondContact O-N 2.63Å
466P54.9Low51.8Low71 Ų71123.1 Ų123.146%0.46166%0.664SS.*Hα-helixtrans-59.4-39.7176.4-24.834.5000112.8Q462 V469 M470Q462-P466 WeakPolarHBondContact O-CD 3.38Å; P466-V469 PolarHBondContact O-N 2.93Å; P466-M470 WeakPolarHBondContact O-CG 3.38Å; P466-M470 PolarHBondContact O-N 2.95Å
467T51.8Low52.7Low89 Ų89125.2 Ų125.255%0.54665%0.649SS.*Hα-helixtrans-66.1-42.7-176.8-490000112E464 R465 M470 A471E464-T467 PolarHBondContact O-N 3.36Å; R465-T467 VanDerWaalsContact C-N 3.29Å; R465-T467 PolarHBondContact O-N 2.96Å; T467-M470 PolarHBondContact O-N 2.87Å; T467-A471 WeakPolarHBondContact O-CB 3.45Å; T467-A471 PolarHBondContact O-N 2.75Å
468V64.1Low54Low103 Ų103130 Ų13062%0.62465%0.65SS**Hα-helixtrans-65-40.5177.7176.80000111.6E464 R465 A471 A472E464-V468 PolarHBondContact O-N 3.46Å; R465-V468 PolarHBondContact O-N 3.41Å; V468-A471 PolarHBondContact O-N 2.76Å; V468-A472 PolarHBondContact O-N 3Å
469V67.4Low54.8Low104 Ų104128.7 Ų128.763%0.6364%0.638SS**Hα-helixtrans-66.5-41.7177.7176.10000111.4R465 P466 A472 W473R465-V469 WeakPolarHBondContact O-CG2 3.46Å; R465-V469 PolarHBondContact O-N 2.63Å; P466-V469 PolarHBondContact O-N 2.93Å; V469-A472 PolarHBondContact O-N 3.04Å; V469-W473 PolarHBondContact O-N 2.99Å; V469-W473 VanDerWaalsContact O-N 3.17Å
470M64Low55.6Low113 Ų113124.4 Ų124.456%0.55763%0.626SS**Hα-helixtrans-67.2-34174.7-71.9-167.3-69.800113.1P466 T467 R474P466-M470 WeakPolarHBondContact O-CG 3.38Å; P466-M470 PolarHBondContact O-N 2.95Å; T467-M470 PolarHBondContact O-N 2.87Å; M470-R474 WeakPolarHBondContact O-CB 3.44Å; M470-R474 PolarHBondContact O-N 3.12Å; M470-R474 VanDerWaalsContact O-N 3.08Å
471A63.1Low55.6Low48 Ų48128 Ų12840%0.39763%0.632SS.*Hα-helixtrans-67.9-40.6175.700000112.1T467 V468 R474 S475T467-A471 WeakPolarHBondContact O-CB 3.45Å; T467-A471 PolarHBondContact O-N 2.75Å; V468-A471 PolarHBondContact O-N 2.76Å; A471-R474 PolarHBondContact O-N 3.11Å; A471-S475 PolarHBondContact O-N 2.95Å; A471-S475 VanDerWaalsContact O-N 3.11Å; A471-S475 PolarHBondContact O-OG 2.88Å
472A67.6Low55.5Low61 Ų61121.3 Ų121.350%0.50460%0.604SS.*Hα-helixtrans-59.8-51.7174.500000111.6V468 V469 R474 S475 E476V468-A472 PolarHBondContact O-N 3Å; V469-A472 PolarHBondContact O-N 3.04Å; A472-R474 VanDerWaalsContact C-N 3.32Å; A472-R474 PolarHBondContact O-N 3.31Å; A472-S475 WeakPolarHBondContact O-CB 3.49Å; A472-S475 PolarHBondContact O-N 3.49Å; A472-E476 PolarHBondContact O-N 3Å
473W65.3Low55.4Low153 Ų153121.7 Ų121.758%0.5861%0.606SS**Hα-helixtrans-62.3-35.8179.8-167.377000113.4V469 S475 K477V469-W473 PolarHBondContact O-N 2.99Å; V469-W473 VanDerWaalsContact O-N 3.17Å; W473-S475 VanDerWaalsContact C-N 3.29Å; W473-S475 PolarHBondContact O-N 2.83Å; W473-K477 HydrophobicContact CH2-CD 3.94Å; W473-K477 VanDerWaalsContact CH2-CE 3.46Å; W473-K477 HydrophobicContact CZ2-CD 4.28Å; W473-K477 HydrophobicContact CZ3-CD 4.09Å; W473-K477 PolarHBondContact O-N 3.28Å
474R63.5Low55.4Low184 Ų184122.4 Ų122.469%0.69461%0.605SS**Hα-helixtrans-68.1-28.9174.9-166.7-177-64.4167.2-0.9112.5M470 A471 A472 K478M470-R474 WeakPolarHBondContact O-CB 3.44Å; M470-R474 PolarHBondContact O-N 3.12Å; M470-R474 VanDerWaalsContact O-N 3.08Å; A471-R474 PolarHBondContact O-N 3.11Å; A472-R474 VanDerWaalsContact C-N 3.32Å; A472-R474 PolarHBondContact O-N 3.31Å; R474-K478 PolarHBondContact O-N 3.08Å
475S60.4Low55.1Low74 Ų74118.6 Ų118.652%0.51760%0.597SS.*Hα-helixtrans-76.5-43178.6-55.70000111.1A471 A472 W473 K477 K478 Q479A471-S475 PolarHBondContact O-N 2.95Å; A471-S475 VanDerWaalsContact O-N 3.11Å; A471-S475 PolarHBondContact O-OG 2.88Å; A472-S475 WeakPolarHBondContact O-CB 3.49Å; A472-S475 PolarHBondContact O-N 3.49Å; W473-S475 VanDerWaalsContact C-N 3.29Å; W473-S475 PolarHBondContact O-N 2.83Å; S475-K477 PolarHBondContact O-N 2.94Å; S475-K478 WeakPolarHBondContact O-CB 3.41Å; S475-K478 PolarHBondContact O-N 3.45Å; S475-Q479 PolarHBondContact O-N 2.87Å
476E65.8Low54.6Low128 Ų128117.8 Ų117.860%0.59860%0.601SS**Hα-helixtrans-58.2-47.2175.7-171.5168.7-135.200112.1A472 K478 Q479 Q480A472-E476 PolarHBondContact O-N 3Å; E476-K478 PolarHBondContact O-N 3.25Å; E476-Q479 PolarHBondContact O-N 2.86Å; E476-Q480 PolarHBondContact O-N 3.27Å; E476-Q480 VanDerWaalsContact O-N 3.11Å
477K58Low53.7Low125 Ų125125.7 Ų125.754%0.54362%0.622SS.*Hα-helixtrans-60.7-27.5172.8-87.1-159.6169.7-169.30114.4W473 S475W473-K477 HydrophobicContact CH2-CD 3.94Å; W473-K477 VanDerWaalsContact CH2-CE 3.46Å; W473-K477 HydrophobicContact CZ2-CD 4.28Å; W473-K477 HydrophobicContact CZ3-CD 4.09Å; W473-K477 PolarHBondContact O-N 3.28Å; S475-K477 PolarHBondContact O-N 2.94Å
478K56.7Low53Low174 Ų174125.8 Ų125.876%0.75763%0.632SS**Hα-helixtrans-80.4-31.7179.1-150.1179.1-175.1-172.50111.6R474 S475 E476 G482R474-K478 PolarHBondContact O-N 3.08Å; S475-K478 WeakPolarHBondContact O-CB 3.41Å; S475-K478 PolarHBondContact O-N 3.45Å; E476-K478 PolarHBondContact O-N 3.25Å; K478-G482 PolarHBondContact O-N 3.19Å
479Q52.9Low51.9Low138 Ų138129.5 Ų129.565%0.64564%0.642SS**Hα-helixtrans-70.1-44.5176-163.7164.14.100111.3S475 E476 K481 G482 E483S475-Q479 PolarHBondContact O-N 2.87Å; E476-Q479 PolarHBondContact O-N 2.86Å; Q479-K481 VanDerWaalsContact C-N 3.27Å; Q479-K481 PolarHBondContact O-N 3.29Å; Q479-G482 PolarHBondContact O-N 3.46Å; Q479-E483 PolarHBondContact O-N 3.25Å
480Q51.8Low50.1Low144 Ų144131.4 Ų131.467%0.67365%0.654SS**Hα-helixtrans-58.5-36.5175.7-130.2173.422.800113E476 G482E476-Q480 PolarHBondContact O-N 3.27Å; E476-Q480 VanDerWaalsContact O-N 3.11Å; Q480-G482 VanDerWaalsContact C-N 3.34Å
481K42.8Very low48.5Very low169 Ų169138 Ų13874%0.73567%0.673SS**Hα-helixtrans-77.3-16.3176.6-164.4170.7-177.3178.60113.7Q479Q479-K481 VanDerWaalsContact C-N 3.27Å; Q479-K481 PolarHBondContact O-N 3.29Å
482G40.7Very low46.8Very low32 Ų32140.8 Ų140.833%0.3369%0.69SS.*Hα-helixtrans-81-43.1177.500000113K478 Q479 Q480 E484 S485 H486K478-G482 PolarHBondContact O-N 3.19Å; Q479-G482 PolarHBondContact O-N 3.46Å; Q480-G482 VanDerWaalsContact C-N 3.34Å; G482-E484 VanDerWaalsContact C-N 3.29Å; G482-E484 PolarHBondContact O-N 3.05Å; G482-S485 PolarHBondContact O-N 2.69Å; G482-H486 PolarHBondContact O-CD2 3.01Å
483E39.8Very low45.7Very low144 Ų144142.9 Ų142.967%0.67370%0.698SS**Hα-helixtrans-66.5-29.3-177.6-68.5-175.8133.900113.2Q479 S485Q479-E483 PolarHBondContact O-N 3.25Å; E483-S485 PolarHBondContact O-N 2.85Å
484E40.4Very low44Very low163 Ų163144.4 Ų144.476%0.76271%0.709SS**THydrogen-bonded Turntrans-71-29.8179.9-156.9165.9-140.200112.6G482G482-E484 VanDerWaalsContact C-N 3.29Å; G482-E484 PolarHBondContact O-N 3.05Å
485S37.7Very low42.2Very low88 Ų88142.3 Ų142.362%0.61571%0.712SS**G310 helixtrans-78-25.9-179-164.80000113.8G482 E483G482-S485 PolarHBondContact O-N 2.69Å; E483-S485 PolarHBondContact O-N 2.85Å
486H39Very low40.8Very low169 Ų169145.9 Ų145.978%0.78273%0.725SS**G310 helixtrans-87.1-4.3-176.7-76.1-68.5000114.3G482G482-H486 PolarHBondContact O-CD2 3.01Å
487R35.5Very low39Very low236 Ų236145.5 Ų145.589%0.89174%0.736SS**G310 helixtrans-90.4-10.8-179.1-156.6173.9-172-173.63.1114.3
488A37.4Very low37.9Very low92 Ų92147.2 Ų147.276%0.7675%0.752SS**SBendtrans-92.4-13.3-169.400000115.3
489E39.3Very low36.6Very low180 Ų180143.9 Ų143.984%0.84176%0.756SS**  trans-124.869.8-163.6-156.3168-152.300113.6
490T31.2Very low35.7Very low145 Ų145144.3 Ų144.389%0.8976%0.763SS**  trans-149.994.7160.9-44.30000111.1
491R30.1Very low35.4Very low250 Ų250142.6 Ų142.694%0.94377%0.765SS**  trans-141.6116.7169.9-170.1174.6-175.2166.91.8110.3
492S27.1Very low35.1Very low108 Ų108142.1 Ų142.176%0.75577%0.765SS**  trans-94.3161.1168.965.20000111.4
493P44Very low35.1Very low104 Ų104149.6 Ų149.668%0.67579%0.789SS**  trans-113.9173.7-170.834.4-19.2000115.2
494F29.7Very low35.3Very low185 Ų185148.3 Ų148.381%0.81179%0.792SS**  trans75.4146.1177.8-61.6-84.7000115.9
495N26.6Very low35.4Very low141 Ų141149.1 Ų149.175%0.75480%0.801SS**  cis-150168.49.5-138.6-23.6000113.6
496N29.9Very low35.7Very low149 Ų149152.1 Ų152.180%0.79781%0.81SS**  trans-76.8148.2-177.5-71.7-49000115
497S28.9Very low36.2Very low119 Ų119151 Ų15183%0.83281%0.809SS**  -178.3159.612135.90000113.5
498D34.2Very low36.6Very low161 Ų161146.4 Ų146.486%0.86180%0.802SS**  trans-52.2143.4-162.1-55.2-89.5000120.6
499A30.3Very low37.1Very low104 Ų104149.1 Ų149.186%0.8680%0.802SS**  170.4138.4118.800000113.9
500N33.9Very low37.4Very low147 Ų147146.5 Ų146.579%0.78679%0.79SS**  trans-105.8135.7166.6176.455.8000107.1
501P44.8Very low38.4Very low109 Ų109148.2 Ų148.271%0.70878%0.78SS**  -151.9145.380.935.4-13.6000119.3
502Q36.9Very low39.2Very low159 Ų159140.1 Ų140.174%0.74376%0.762SS**  trans53.6121.8142.6-59.5-165.33.200123.5
503K40.3Very low40.3Very low189 Ų189140.3 Ų140.382%0.82275%0.754SS**  trans55.9130.3142.4-66-179.1178.2178.10119.3
504P44.2Very low40.6Very low116 Ų116140.6 Ų140.675%0.75375%0.746SS**  -146.7128.289.735.1-17.5000116.2
505L41.7Very low41.6Very low181 Ų181138.2 Ų138.295%0.94874%0.737SS**  trans-135.564.9163.5-84.9174.6000109
506L44.2Very low42.8Very low151 Ų151140.2 Ų140.279%0.79174%0.735SS**  trans-147.530.5-173.9-138.5172.2000113.1
507L49.1Very low43.9Very low145 Ų145137.2 Ų137.276%0.75972%0.721SS**SBendtrans-122.1-17.2-179.6-76.6171.5000115.6
508D44.8Very low44.8Very low139 Ų139136.1 Ų136.174%0.74371%0.706SS**Hα-helixtrans-91.2-25.4177.9-85-25.4000114.7H510D508-H510 PolarHBondContact O-N 3.33Å
509L47.8Very low45.7Very low149 Ų149132.7 Ų132.778%0.7869%0.688SS**Hα-helixtrans-71.9-25.2-177.8-97.2161.1000114
510H45.7Very low46.8Very low125 Ų125130.8 Ų130.858%0.57967%0.668SS**Hα-helixtrans-74.7-41.2-179.1-152.1-88.5000112.3D508 S512 L513 E514D508-H510 PolarHBondContact O-N 3.33Å; H510-S512 VanDerWaalsContact C-N 3.33Å; H510-S512 PolarHBondContact O-N 3.47Å; H510-L513 PolarHBondContact O-N 3.02Å; H510-E514 IonicContact CE1-OE1 3.27Å; H510-E514 PolarHBondContact CE1-OE1 3.16Å; H510-E514 IonicContact CE1-OE2 3.94Å; H510-E514 VanDerWaalsContact ND1-CD 3.32Å; H510-E514 IonicContact ND1-OE1 3.85Å; H510-E514 PolarHBondContact ND1-OE1 3.48Å; H510-E514 IonicContact ND1-OE2 3.3Å; H510-E514 PolarHBondContact ND1-OE2 3Å; H510-E514 PolarHBondContact O-N 3.43Å
511R51.3Low47.7Very low182 Ų182127.5 Ų127.569%0.68765%0.653SS**Hα-helixtrans-65.5-34.3-175.9-164.5-176.4-56.6-101.2-3.6112.9
512S47Very low48.1Very low79 Ų79128.5 Ų128.555%0.55265%0.647SS**Hα-helixtrans-74-29178.9-170.50000113H510H510-S512 VanDerWaalsContact C-N 3.33Å; H510-S512 PolarHBondContact O-N 3.47Å
513L50.1Low48.9Very low113 Ų113126.8 Ų126.859%0.59264%0.641SS**Hα-helixtrans-79.1-40-178.2-165.664000112.1H510 Q515 R516 V517H510-L513 PolarHBondContact O-N 3.02Å; L513-Q515 VanDerWaalsContact C-N 3.33Å; L513-Q515 PolarHBondContact O-N 2.95Å; L513-R516 PolarHBondContact O-N 3.18Å; L513-V517 PolarHBondContact O-N 3.08Å
514E51.1Low49.5Very low109 Ų109121 Ų12151%0.50962%0.619SS.*Hα-helixtrans-64.7-34.8178.6-69.9175.814000112.7H510 N518H510-E514 IonicContact CE1-OE1 3.27Å; H510-E514 PolarHBondContact CE1-OE1 3.16Å; H510-E514 IonicContact CE1-OE2 3.94Å; H510-E514 VanDerWaalsContact ND1-CD 3.32Å; H510-E514 IonicContact ND1-OE1 3.85Å; H510-E514 PolarHBondContact ND1-OE1 3.48Å; H510-E514 IonicContact ND1-OE2 3.3Å; H510-E514 PolarHBondContact ND1-OE2 3Å; H510-E514 PolarHBondContact O-N 3.43Å; E514-N518 PolarHBondContact O-N 3.02Å; E514-N518 PolarHBondContact O-ND2 2.82Å
515Q50.5Low49.7Very low135 Ų135122.2 Ų122.263%0.63161%0.614SS**Hα-helixtrans-61.4-45.2174.8-159.186.824.300111.4L513 V517L513-Q515 VanDerWaalsContact C-N 3.33Å; L513-Q515 PolarHBondContact O-N 2.95Å; Q515-V517 PolarHBondContact O-N 3.48Å
516R51.5Low50.1Low184 Ų184120 Ų12069%0.69460%0.603SS**Hα-helixtrans-68.6-34.3-176.9-170.6-171.4-65.7-122.42.2113L513L513-R516 PolarHBondContact O-N 3.18Å
517V53.4Low50.2Low85 Ų85120.6 Ų120.652%0.51560%0.602SS.*Hα-helixtrans-69.2-41.1-179.8173.40000111.2L513 Q515 D519 S520 T521L513-V517 PolarHBondContact O-N 3.08Å; Q515-V517 PolarHBondContact O-N 3.48Å; V517-D519 PolarHBondContact O-N 3.21Å; V517-S520 PolarHBondContact O-N 3.19Å; V517-T521 PolarHBondContact O-N 2.92Å; V517-T521 PolarHBondContact O-OG1 2.76Å
518N48.1Very low50.4Low96 Ų96123 Ų12351%0.51360%0.6SS.*Hα-helixtrans-67.7-31.7-176.5-79-29.7000114.6E514 T521 K522E514-N518 PolarHBondContact O-N 3.02Å; E514-N518 PolarHBondContact O-ND2 2.82Å; N518-T521 PolarHBondContact O-OG1 2.85Å; N518-K522 WeakPolarHBondContact O-CG 3.38Å
519D52.3Low50.6Low90 Ų90121.9 Ų121.948%0.48160%0.599SS.*Hα-helixtrans-75.4-33.8175.5-69-29.3000111.4V517 K522 I523V517-D519 PolarHBondContact O-N 3.21Å; D519-K522 PolarHBondContact O-N 3.14Å; D519-I523 WeakPolarHBondContact O-CG1 3.47Å; D519-I523 PolarHBondContact O-N 3.4Å
520S53.6Low50.8Low64 Ų64120.4 Ų120.445%0.44860%0.596SS.*Hα-helixtrans-68.4-35.3177.7-167.30000112.9V517 I524V517-S520 PolarHBondContact O-N 3.19Å; S520-I524 VanDerWaalsContact O-CD1 3.32Å; S520-I524 WeakPolarHBondContact O-CD1 3.47Å; S520-I524 VanDerWaalsContact O-CG1 3.24Å; S520-I524 WeakPolarHBondContact O-CG1 3.28Å; S520-I524 PolarHBondContact O-N 2.94Å
521T53.2Low50.9Low77 Ų77121.7 Ų121.747%0.47261%0.607SS.*Hα-helixtrans-67.4-39.9175.327.60000112.7V517 N518 I523 I524 E525V517-T521 PolarHBondContact O-N 2.92Å; V517-T521 PolarHBondContact O-OG1 2.76Å; N518-T521 PolarHBondContact O-OG1 2.85Å; T521-I523 PolarHBondContact O-N 3.18Å; T521-I524 PolarHBondContact O-N 3.35Å; T521-E525 PolarHBondContact O-N 3.31Å; T521-E525 VanDerWaalsContact O-N 3.09Å
522K52.5Low50.6Low131 Ų131122.6 Ų122.657%0.5762%0.619SS**Hα-helixtrans-65.8-37.1-180-70.6175.7-178176.20113.4N518 D519 I524 E525 L526N518-K522 WeakPolarHBondContact O-CG 3.38Å; D519-K522 PolarHBondContact O-N 3.14Å; K522-I524 VanDerWaalsContact C-N 3.35Å; K522-E525 PolarHBondContact O-N 3.15Å; K522-L526 PolarHBondContact O-N 2.99Å
523I54.6Low50.5Low122 Ų122125.3 Ų125.363%0.62663%0.632SS**Hα-helixtrans-67.5-38.9176.8-65.2166.3000110.6D519 T521 E525D519-I523 WeakPolarHBondContact O-CG1 3.47Å; D519-I523 PolarHBondContact O-N 3.4Å; T521-I523 PolarHBondContact O-N 3.18Å; I523-E525 VanDerWaalsContact C-N 3.33Å; I523-E525 PolarHBondContact O-N 3.46Å
524I52.1Low50Low69 Ų69129.5 Ų129.535%0.35467%0.671SS.*Hα-helixtrans-74.4-20.8-179.1-69.9170.3000112.8S520 T521 K522 R528S520-I524 VanDerWaalsContact O-CD1 3.32Å; S520-I524 WeakPolarHBondContact O-CD1 3.47Å; S520-I524 VanDerWaalsContact O-CG1 3.24Å; S520-I524 WeakPolarHBondContact O-CG1 3.28Å; S520-I524 PolarHBondContact O-N 2.94Å; T521-I524 PolarHBondContact O-N 3.35Å; K522-I524 VanDerWaalsContact C-N 3.35Å; I524-R528 VanDerWaalsContact CG2-CZ 3.46Å; I524-R528 VanDerWaalsContact CG2-NH1 3.26Å
525E50.3Low49.9Very low140 Ų140130.6 Ų130.665%0.65468%0.68SS**Hα-helixtrans-83.1-35.7177.7-165.3165.5-162.600112.6T521 K522 I523T521-E525 PolarHBondContact O-N 3.31Å; T521-E525 VanDerWaalsContact O-N 3.09Å; K522-E525 PolarHBondContact O-N 3.15Å; I523-E525 VanDerWaalsContact C-N 3.33Å; I523-E525 PolarHBondContact O-N 3.46Å
526L48.2Very low49.9Very low136 Ų136130.3 Ų130.371%0.71268%0.682SS**Hα-helixtrans-70.8-27.3176.7-99.279000114.1K522 R528K522-L526 PolarHBondContact O-N 2.99Å; L526-R528 PolarHBondContact O-N 3.25Å
527E48.1Very low49.8Very low163 Ų163127.3 Ų127.376%0.76268%0.681SS**THydrogen-bonded Turntrans-76.8-7.1-177.7-149.5-174.6168.500113.4
528R51.7Low49.6Very low194 Ų194129.8 Ų129.873%0.73269%0.691SS**THydrogen-bonded Turntrans-103.6-1.1-172.2-69-175.4179138.35.1115.7I524 L526I524-R528 VanDerWaalsContact CG2-CZ 3.46Å; I524-R528 VanDerWaalsContact CG2-NH1 3.26Å; L526-R528 PolarHBondContact O-N 3.25Å
529T50.4Low49.7Very low116 Ų116131.9 Ų131.971%0.71270%0.702SS**SBendtrans-113.412-171.554.30000115
530V51.1Low49.5Very low119 Ų119134.7 Ų134.772%0.72172%0.717SS**SBendtrans-110.72.1-174.6-1770000113.8
531N47.4Very low49.2Very low152 Ų152139.8 Ų139.881%0.81374%0.736SS**  trans-125.758.2-175.4-70.1-10.9000114.5
532E44.8Very low48.9Very low200 Ų200144.6 Ų144.694%0.93576%0.757SS**  trans-136.4141.8155.3-78.1-159.1134.200111.3
533T46.6Very low48.6Very low136 Ų136145.8 Ų145.883%0.83477%0.772SS**  trans-122.9131.5-175.541.10000111.6
534S37.8Very low48Very low202 Ų202147.9 Ų147.9100%1.41379%0.786SS**  trans-159.90149.4-76.90000109.6

Retrieved 534 of 534 residues in 1703.6 ms (Link to these results)