A0A096NVF2_PAPAN Loading...

Shieldin complex subunit 1

AlphaFold DB , UniProt , Accession A0A096NVF2, Species PAPAN (Papio anubis, Olive baboon), Gene SHLD1, Length 205 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
1M35.6Very low41.8Very low237 Ų237136.3 Ų136.3100%1.16784%0.838SS**  0119.50-88.3159-173.500106.4
2A39.4Very low42.3Very low101 Ų101133.8 Ų133.884%0.83583%0.831SS**  64.7130.754.100000111
3A39.9Very low43.1Very low91 Ų91137.2 Ų137.275%0.75283%0.831SS**  cis-130.1161.410.200000109.4
4R42.4Very low43.5Very low222 Ų222139.6 Ų139.684%0.83883%0.828SS**  53.1133.957.9-74.4-163.7177.4167.60.3114.2
5D43.4Very low44.2Very low143 Ų143137.6 Ų137.677%0.76582%0.824SS**  cis-144-159.3-24.5-70.9-54.3000104.6
6A41.5Very low45.2Very low88 Ų88135.9 Ų135.973%0.72782%0.821SS**  cis-159.6-160.4200000105.8
7T43.5Very low46.2Very low127 Ų127133.1 Ų133.178%0.77982%0.816SS**  cis-156.4132.71.6-55.40000108.5
8S39.7Very low47.3Very low129 Ų129134.4 Ų134.490%0.90282%0.816SS**  trans166.1129.8147.2-79.40000110.5
9G37Very low48.4Very low67 Ų67136 Ų13669%0.69182%0.819SS**  cis-168.9159.7-7.200000112
10S49.2Very low49.5Very low127 Ų127135.9 Ų135.989%0.88881%0.813SS**  trans45.6102.4166.8-540000118.6
11L48.4Very low50.3Low167 Ų167135 Ų13587%0.87481%0.811SS**  trans-62.7140.9159.6-163.674.5000109.5E13L11-E13 PolarHBondContact O-N 3.43Å
12S47.2Very low51.8Low107 Ų107129 Ų12975%0.74879%0.792SS**  trans-85.1106176.9-172.30000110.7E14S12-E14 VanDerWaalsContact C-N 3.3Å; S12-E14 PolarHBondContact O-N 3.39Å; S12-E14 VanDerWaalsContact O-N 3.1Å
13E52.9Low52.8Low178 Ų178130.6 Ų130.683%0.83279%0.791SS**  trans-79.974.7168.5-67.4-178.310000110.2L11 S15L11-E13 PolarHBondContact O-N 3.43Å; E13-S15 PolarHBondContact O-N 3.34Å
14E49.1Very low53.7Low171 Ų171130.5 Ų130.580%0.79978%0.784SS**  trans-72.795.9166.173.8178.6158.700109.6S12 S16S12-E14 VanDerWaalsContact C-N 3.3Å; S12-E14 PolarHBondContact O-N 3.39Å; S12-E14 VanDerWaalsContact O-N 3.1Å; E14-S16 PolarHBondContact O-N 3.5Å; E14-S16 VanDerWaalsContact O-N 3.08Å
15S54.2Low54.5Low109 Ų109123.1 Ų123.176%0.76276%0.761SS**  trans-72.799.2169.5-740000108.7E13 A17E13-S15 PolarHBondContact O-N 3.34Å; S15-A17 PolarHBondContact O-N 3.31Å
16S59.2Low55.3Low110 Ų110121.6 Ų121.677%0.76976%0.757SS**  trans-72.451.8175.950.90000112.9E14 L18E14-S16 PolarHBondContact O-N 3.5Å; E14-S16 VanDerWaalsContact O-N 3.08Å; S16-L18 PolarHBondContact O-N 2.9Å; S16-L18 VanDerWaalsContact O-N 3.12Å
17A63.3Low56.2Low89 Ų89125.5 Ų125.574%0.73675%0.753SS**  trans-66.8106.6168.600000108.9S15 D19S15-A17 PolarHBondContact O-N 3.31Å; A17-D19 PolarHBondContact O-N 2.63Å; A17-D19 VanDerWaalsContact O-N 3.12Å
18L64.7Low56.8Low156 Ų156124.6 Ų124.682%0.81774%0.743SS**  trans-69.8105.5170.6-64.6177.7000108.5S16 L20S16-L18 PolarHBondContact O-N 2.9Å; S16-L18 VanDerWaalsContact O-N 3.12Å; L18-L20 PolarHBondContact O-N 3.15Å
19D68.3Low57.5Low165 Ų165127.2 Ų127.288%0.88273%0.734SS**  trans-66.8102.2171.7-168.438.2000108.7A17A17-D19 PolarHBondContact O-N 2.63Å; A17-D19 VanDerWaalsContact O-N 3.12Å
20L70.4Confident58.4Low134 Ų134129.8 Ų129.870%0.70274%0.737SS**PPolyproline II helixtrans-76.4136.8179.2-65.9177.8000108.9L18 S22L18-L20 PolarHBondContact O-N 3.15Å; L20-S22 PolarHBondContact O-N 3.08Å; L20-S22 VanDerWaalsContact O-N 3.11Å
21P66.9Low58.6Low117 Ų117130.4 Ų130.476%0.7673%0.729SS**PPolyproline II helixtrans-57.5122.9176.424.8-33.7000109.4V23P21-V23 PolarHBondContact O-N 3.23Å
22S67.7Low58.5Low110 Ų110130.8 Ų130.877%0.76973%0.726SS**PPolyproline II helixtrans-50.8129.2-177.1-173.10000110.8L20 C24L20-S22 PolarHBondContact O-N 3.08Å; L20-S22 VanDerWaalsContact O-N 3.11Å; S22-C24 PolarHBondContact O-N 3.08Å
23V60.2Low58.8Low136 Ų136136.4 Ų136.482%0.82473%0.731SS**  trans-64.8105-173.3-177.30000109.2P21 D25P21-V23 PolarHBondContact O-N 3.23Å; V23-D25 PolarHBondContact O-N 3.06Å
24C58.9Low58.2Low89 Ų89133.5 Ų133.560%0.60173%0.728SS**  trans-65118173.6-58.50000108.6S22 V26S22-C24 PolarHBondContact O-N 3.08Å; C24-V26 PolarHBondContact O-N 3.46Å
25D58.9Low58.2Low67 Ų67130.9 Ų130.936%0.35873%0.728SS.*  trans-61.9121.8173.3-176.9-0.3000108.2V23 R27 D28V23-D25 PolarHBondContact O-N 3.06Å; D25-R27 PolarHBondContact O-N 3.02Å; D25-R27 WeakPolarHBondContact OD1-CG 3.48Å; D25-R27 PolarHBondContact OD1-N 3.19Å; D25-R27 VanDerWaalsContact OD1-N 3.13Å; D25-R27 IonicContact OD1-NE 3.15Å; D25-R27 IonicContact OD2-CZ 3.97Å; D25-R27 VanDerWaalsContact OD2-CZ 3.31Å; D25-R27 IonicContact OD2-NE 3.76Å; D25-R27 PolarHBondContact OD2-NE 3.03Å; D25-R27 IonicContact OD2-NH2 3.56Å; D25-R27 PolarHBondContact OD2-NH2 3.49Å; D25-D28 PolarHBondContact O-N 3.39Å; D25-D28 VanDerWaalsContact O-N 3.08Å
26V60.4Low57.8Low110 Ų110134.1 Ų134.167%0.66773%0.731SS**THydrogen-bonded Turntrans-56.5-21.9-178.7171.20000111.6C24 D28 Y29C24-V26 PolarHBondContact O-N 3.46Å; V26-D28 VanDerWaalsContact C-N 3.31Å; V26-D28 PolarHBondContact O-N 3.43Å; V26-Y29 PolarHBondContact O-N 3.42Å
27R59.2Low56.8Low171 Ų171136.8 Ų136.865%0.64573%0.732SS**THydrogen-bonded Turntrans-67.6-22.4178.8-60.1-173.2-55.2146.412.7114.5D25 Y29 V30D25-R27 PolarHBondContact O-N 3.02Å; D25-R27 WeakPolarHBondContact OD1-CG 3.48Å; D25-R27 PolarHBondContact OD1-N 3.19Å; D25-R27 VanDerWaalsContact OD1-N 3.13Å; D25-R27 IonicContact OD1-NE 3.15Å; D25-R27 IonicContact OD2-CZ 3.97Å; D25-R27 VanDerWaalsContact OD2-CZ 3.31Å; D25-R27 IonicContact OD2-NE 3.76Å; D25-R27 PolarHBondContact OD2-NE 3.03Å; D25-R27 IonicContact OD2-NH2 3.56Å; D25-R27 PolarHBondContact OD2-NH2 3.49Å; R27-Y29 VanDerWaalsContact C-N 3.27Å; R27-Y29 PolarHBondContact O-N 2.85Å; R27-V30 WeakPolarHBondContact O-CB 3.01Å; R27-V30 PolarHBondContact O-N 3.19Å
28D56.4Low55.6Low107 Ų107136.6 Ų136.657%0.57273%0.73SS**Hα-helixtrans-65.2-32.1176.9-75.9-20.6000112.2D25 V26 V30 L31 Q32D25-D28 PolarHBondContact O-N 3.39Å; D25-D28 VanDerWaalsContact O-N 3.08Å; V26-D28 VanDerWaalsContact C-N 3.31Å; V26-D28 PolarHBondContact O-N 3.43Å; D28-V30 PolarHBondContact O-N 2.9Å; D28-L31 PolarHBondContact O-N 3.17Å; D28-Q32 PolarHBondContact O-N 3.41Å
29Y54Low54.5Low184 Ų184136 Ų13672%0.72273%0.728SS**Hα-helixtrans-65.2-19.6174.1-67.2-85.7000113.5V26 R27V26-Y29 PolarHBondContact O-N 3.42Å; R27-Y29 VanDerWaalsContact C-N 3.27Å; R27-Y29 PolarHBondContact O-N 2.85Å
30V56.1Low53.2Low122 Ų122133.7 Ų133.774%0.73972%0.724SS**Hα-helixtrans-88.2-23.9180-174.70000111.7R27 D28R27-V30 WeakPolarHBondContact O-CB 3.01Å; R27-V30 PolarHBondContact O-N 3.19Å; D28-V30 PolarHBondContact O-N 2.9Å
31L55.2Low52Low140 Ų140136.4 Ų136.473%0.73373%0.733SS**Hα-helixtrans-97.1-12.7-175.7-73.5172.1000114.5D28 R33D28-L31 PolarHBondContact O-N 3.17Å; L31-R33 PolarHBondContact O-N 2.74Å
32Q46.2Very low51Low174 Ų174134.7 Ų134.781%0.81373%0.729SS**  trans-75.669.6178.9-163165.3104.700112.3D28D28-Q32 PolarHBondContact O-N 3.41Å
33R53.3Low49.3Very low226 Ų226138.6 Ų138.685%0.85373%0.733SS**  trans-54.4138.2163.8-82.8-173.8171.8-173.2-2.1109.6L31 S35L31-R33 PolarHBondContact O-N 2.74Å; R33-S35 PolarHBondContact O-N 3.46Å
34P39.2Very low48.2Very low117 Ų117137.1 Ų137.176%0.7673%0.728SS**  trans-57123.4163.4-22.433.6000110.1Q36P34-Q36 PolarHBondContact O-N 3.36Å; P34-Q36 VanDerWaalsContact O-N 3.11Å
35S49.8Very low47.6Very low116 Ų116138.3 Ų138.381%0.81174%0.738SS**  trans-73.297.1168.654.60000108.7R33R33-S35 PolarHBondContact O-N 3.46Å
36Q45.6Very low46.8Very low177 Ų177142.3 Ų142.383%0.82776%0.758SS**  trans-129.5105.1174.3-175.2171.1-11.600109.5P34P34-Q36 PolarHBondContact O-N 3.36Å; P34-Q36 VanDerWaalsContact O-N 3.11Å
37E38.6Very low45.8Very low166 Ų166144.9 Ų144.978%0.77676%0.763SS**  trans-58.9141.7177.4-93.364.7-15900114.1
38A37.7Very low44.9Very low84 Ų84145.2 Ų145.269%0.69477%0.769SS**  trans77.4135154.100000120.7
39N41.5Very low43.9Very low145 Ų145147.4 Ų147.478%0.77578%0.776SS**  trans60.5101.3157.971.593.5000120.5
40S41.9Very low43.3Very low116 Ų116144.1 Ų144.181%0.81178%0.78SS**  -178.8167.4104.9-76.40000111.1
41E43.3Very low42.8Very low190 Ų190146.2 Ų146.289%0.88879%0.786SS**  trans-100.6158.5-166.6-61.7173.7106.900114.9
42A46.1Very low42.7Very low81 Ų81145.6 Ų145.667%0.66979%0.79SS**  trans66154.5173.500000116.3
43F33.2Very low42.5Very low193 Ų193143.7 Ų143.785%0.84680%0.795SS**  cis-131.1137.39.8-65.6-98.9000109.8
44S37.6Very low41.8Very low105 Ų105138 Ų13873%0.73479%0.789SS**  66135.8101-158.50000117.9
45S44.6Very low42.4Very low114 Ų114137.4 Ų137.480%0.79779%0.788SS**  trans70.787.9160.3-51.20000118.4
46L43.7Very low42.4Very low151 Ų151139.5 Ų139.579%0.79179%0.79SS**  trans-106.2106.4157.7176.564.4000109F48L46-F48 HydrophobicContact CD2-CD2 4.08Å; L46-F48 HydrophobicContact CD2-CE2 3.86Å; L46-F48 HydrophobicContact CG-CD2 4.18Å; L46-F48 HydrophobicContact CG-CE2 4.43Å; L46-F48 PolarHBondContact O-N 3.14Å
47E38.9Very low42.9Very low163 Ų163137.6 Ų137.676%0.76279%0.791SS**  trans-95.887.3-172.5-159.1163.2-122.800111.5H49E47-H49 PolarHBondContact O-N 2.69Å; E47-H49 VanDerWaalsContact O-N 3.09Å; E47-H49 PolarHBondContact O-ND1 2.71Å; E47-H49 IonicContact OE2-CE1 3.84Å
48F40Very low43.1Very low178 Ų178137 Ų13778%0.78179%0.793SS**  trans-60.9108.7179.5-109.4-91.8000111.5L46 S50L46-F48 HydrophobicContact CD2-CD2 4.08Å; L46-F48 HydrophobicContact CD2-CE2 3.86Å; L46-F48 HydrophobicContact CG-CD2 4.18Å; L46-F48 HydrophobicContact CG-CE2 4.43Å; L46-F48 PolarHBondContact O-N 3.14Å; F48-S50 PolarHBondContact O-N 2.79Å
49H36Very low43.7Very low153 Ų153138.6 Ų138.671%0.70880%0.796SS**  trans-87.9105.2173.9-78.657.1000110.2E47E47-H49 PolarHBondContact O-N 2.69Å; E47-H49 VanDerWaalsContact O-N 3.09Å; E47-H49 PolarHBondContact O-ND1 2.71Å; E47-H49 IonicContact OE2-CE1 3.84Å
50S40.1Very low43.5Very low115 Ų115138.4 Ų138.480%0.80480%0.795SS**PPolyproline II helixtrans-68130.5178.3-58.60000112.1F48F48-S50 PolarHBondContact O-N 2.79Å
51L45.4Very low43.4Very low167 Ų167139.7 Ų139.787%0.87480%0.798SS**PPolyproline II helixtrans-80.2127.7167-63.3175.5000109.7
52P53.3Low43.6Very low127 Ų127135.5 Ų135.583%0.82579%0.789SS**PPolyproline II helixtrans-75.9132.1175.330.2-33000111.2
53C42.7Very low43.3Very low133 Ų133139.2 Ų139.290%0.89980%0.798SS**PPolyproline II helixtrans-100.6124.6173.8-1770000110.3
54S39.3Very low43.8Very low106 Ų106138 Ų13874%0.74180%0.8SS**  trans-166.7140.3175.3-159.20000108
55S51Low44Very low105 Ų105140.6 Ų140.673%0.73481%0.805SS**  cis-164.8166.7-8.733.30000109.4
56D50.7Low43.9Very low160 Ų160141.6 Ų141.686%0.85681%0.807SS**  trans-48.8146176.8-81.2-69.2000116
57V55.5Low43.6Very low138 Ų138142.7 Ų142.784%0.83681%0.808SS**  trans-138.4134.3146.8-72.60000109.7
58D42.1Very low44.1Very low154 Ų154143 Ų14382%0.82481%0.809SS**  trans-84.5133.9-170.5-171.733.2000112.2
59P51.1Low44.3Very low116 Ų116140.4 Ų140.475%0.75380%0.804SS**  trans-100.983.2-172.637.7-33.5000113.6
60D36.9Very low45.2Very low142 Ų142140 Ų14076%0.75981%0.807SS**  trans-153.1120161.1-136.2-21.7000114.6
61T40.5Very low45.3Very low142 Ų142138.4 Ų138.487%0.87180%0.795SS**  -179141.3128.522.10000110.6
62S46.3Very low45.5Very low102 Ų102140.9 Ų140.971%0.71379%0.793SS**  trans-86.6155-176.656.90000113.3
63N39.8Very low45.1Very low159 Ų159140.6 Ų140.685%0.8579%0.789SS**  -159.7159.4127-112.3-77.7000111.8
64L44.6Very low45.4Very low169 Ų169140.1 Ų140.189%0.88579%0.787SS**  trans-110.4120.6-175.1-73.4163.1000110.9
65N40.8Very low45.8Very low159 Ų159141.3 Ų141.385%0.8578%0.781SS**  trans-146.7125151.161.6-44.1000112
66T44.1Very low45.8Very low134 Ų134143.5 Ų143.582%0.82279%0.785SS**  trans-73.2128.2-179.4-51.30000111.5
67E37.4Very low45.7Very low175 Ų175145.8 Ų145.882%0.81879%0.788SS**  trans-151129134.5-123.8177.5152.900112.6N69E67-N69 PolarHBondContact O-N 2.68Å
68Q49.3Very low45.7Very low170 Ų170150.6 Ų150.679%0.79479%0.791SS**  trans-87.990.3-171.1-179.7-176.3-26.900110.3
69N43.3Very low46.2Very low123 Ų123149.2 Ų149.266%0.65878%0.783SS**  trans-116.893.7173.4-80.7-76.1000111.1E67 S71E67-N69 PolarHBondContact O-N 2.68Å; N69-S71 PolarHBondContact O-N 2.72Å
70N54.3Low45.8Very low145 Ų145149.3 Ų149.378%0.77578%0.777SS**  trans-74.161.5173.450.9-83.7000112.2
71S42Very low46.7Very low81 Ų81146.5 Ų146.557%0.56677%0.767SS**  trans-79.2120.4173.9-68.60000111N69 T73N69-S71 PolarHBondContact O-N 2.72Å; S71-T73 PolarHBondContact O-N 2.75Å
72W51.6Low47.1Very low218 Ų218144 Ų14483%0.82676%0.76SS**  trans-72.487.5171.9-178.9-83000109.7E75W72-E75 PolarHBondContact NE1-OE2 2.94Å
73T44.9Very low47.2Very low121 Ų121145.2 Ų145.274%0.74276%0.763SS**  trans-13056.1178.758.80000111.4S71S71-T73 PolarHBondContact O-N 2.75Å
74S47.6Very low47.8Very low123 Ų123142.9 Ų142.986%0.8675%0.745SS**  trans-127.828.5169.9-152.50000112.4
75E48.3Very low48.1Very low131 Ų131137.5 Ų137.561%0.61273%0.731SS**  trans-117.7168.4160-70.6179.4103.300108.2W72W72-E75 PolarHBondContact NE1-OE2 2.94Å
76N50.4Low48.5Very low152 Ų152138.3 Ų138.381%0.81373%0.729SS**  trans87.18.9-176.3-48.8-45.2000118.5W78N76-W78 PolarHBondContact O-N 3.11Å
77F48.9Very low49Very low208 Ų208135.1 Ų135.191%0.91271%0.712SS**THydrogen-bonded Turntrans-75.64.6166.6-106.3-73.2000114.6
78W55.6Low49.9Very low239 Ų239131.7 Ų131.791%0.90570%0.696SS**THydrogen-bonded Turntrans-111.1-0.7-173-82.5110.1000115.7N76N76-W78 PolarHBondContact O-N 3.11Å
79L52.5Low50.5Low125 Ų125131.9 Ų131.965%0.65470%0.695SS**  trans-140.894.3176.6-71.8175.8000111.1
80D42.7Very low51.8Low118 Ų118133 Ų13363%0.63170%0.696SS**  trans-100.6103.1144.7-174.6-3.4000108.7A82D80-A82 PolarHBondContact O-N 3.18Å; D80-A82 WeakPolarHBondContact OD1-CB 3.5Å; D80-A82 PolarHBondContact OD1-N 2.85Å
81P54.7Low52.6Low83 Ų83131.1 Ų131.154%0.53968%0.682SS.*G310 helixtrans-71.6-7.8176.6-17.532.9000114V83 K84P81-V83 PolarHBondContact O-N 3.13Å; P81-K84 WeakPolarHBondContact O-CB 3.14Å; P81-K84 PolarHBondContact O-N 3.45Å
82A49.7Very low54.5Low88 Ų88130.9 Ų130.973%0.72768%0.675SS**G310 helixtrans-68.3-19.2-173.400000114.2D80D80-A82 PolarHBondContact O-N 3.18Å; D80-A82 WeakPolarHBondContact OD1-CB 3.5Å; D80-A82 PolarHBondContact OD1-N 2.85Å
83V49.5Very low56.1Low128 Ų128124 Ų12478%0.77665%0.654SS**G310 helixtrans-98.42.2174.2-174.30000111.8P81 G85P81-V83 PolarHBondContact O-N 3.13Å; V83-G85 PolarHBondContact O-N 3.39Å
84K51.8Low58.4Low111 Ų111123.8 Ų123.848%0.48365%0.645SS.*THydrogen-bonded Turntrans-86.2100.4-174.4-169.7172-75.9-123.30111.8P81 E88P81-K84 WeakPolarHBondContact O-CB 3.14Å; P81-K84 PolarHBondContact O-N 3.45Å; K84-E88 VanDerWaalsContact CD-OE1 3.27Å; K84-E88 WeakPolarHBondContact CD-OE1 3.33Å; K84-E88 WeakPolarHBondContact CD-OE2 3.45Å; K84-E88 VanDerWaalsContact CE-OE1 3.31Å; K84-E88 WeakPolarHBondContact CE-OE1 3.49Å; K84-E88 HydrophobicContact CG-CG 4.13Å; K84-E88 WeakPolarHBondContact CG-OE2 3.28Å; K84-E88 IonicContact NZ-OE1 3.58Å; K84-E88 PolarHBondContact NZ-OE1 3.01Å
85G51.6Low60.4Low56 Ų56123.3 Ų123.358%0.57763%0.632SS**THydrogen-bonded Turntrans-175.6-9.1176.100000118V83V83-G85 PolarHBondContact O-N 3.39Å
86Q47.8Very low62.4Low176 Ų176121.6 Ų121.682%0.82262%0.62SS**SBendtrans-122.9-50.4176.4-64-70.9-102.900112.8E88Q86-E88 PolarHBondContact O-N 3.09Å
87S55Low64.4Low67 Ų67119.6 Ų119.647%0.46960%0.604SS.*Hα-helixtrans-62.9-41.2-169.7-155.10000115.3K89 E90 E91S87-K89 PolarHBondContact O-N 3.16Å; S87-E90 PolarHBondContact O-N 2.91Å; S87-E91 WeakPolarHBondContact CB-OE1 3.48Å; S87-E91 PolarHBondContact O-N 3.43Å; S87-E91 VanDerWaalsContact O-N 3.16Å; S87-E91 PolarHBondContact OG-OE1 3.29Å
88E57.3Low66.6Low102 Ų102112.3 Ų112.348%0.47758%0.579SS.*Hα-helixtrans-58.3-28.8-167.1-60.8-171.3117.800115.3K84 Q86 D92K84-E88 VanDerWaalsContact CD-OE1 3.27Å; K84-E88 WeakPolarHBondContact CD-OE1 3.33Å; K84-E88 WeakPolarHBondContact CD-OE2 3.45Å; K84-E88 VanDerWaalsContact CE-OE1 3.31Å; K84-E88 WeakPolarHBondContact CE-OE1 3.49Å; K84-E88 HydrophobicContact CG-CG 4.13Å; K84-E88 WeakPolarHBondContact CG-OE2 3.28Å; K84-E88 IonicContact NZ-OE1 3.58Å; K84-E88 PolarHBondContact NZ-OE1 3.01Å; Q86-E88 PolarHBondContact O-N 3.09Å; E88-D92 PolarHBondContact O-N 3.4Å
89K60.4Low68.4Low175 Ų175104.7 Ų104.776%0.76156%0.555SS**Hα-helixtrans-76.5-35.3176.4-80-173.3173.9-179.60112.7S87 D93S87-K89 PolarHBondContact O-N 3.16Å; K89-D93 WeakPolarHBondContact O-CB 3.15Å; K89-D93 PolarHBondContact O-N 2.95Å; K89-D93 VanDerWaalsContact O-N 3.09Å
90E70.8Confident70.3Confident147 Ų147102 Ų10269%0.68754%0.541SS*.Hα-helixtrans-72.2-39.8-178.8-172.2158.1-162.200110.6S87 D93 E94S87-E90 PolarHBondContact O-N 2.91Å; E90-D93 PolarHBondContact O-N 3.5Å; E90-E94 PolarHBondContact O-N 3.12Å
91E72.1Confident72.8Confident104 Ų104102.8 Ų102.849%0.48654%0.536SS..Hα-helixtrans-61.7-48.2173-68.5167.5-128.400112.6S87 D93 E94 L95S87-E91 WeakPolarHBondContact CB-OE1 3.48Å; S87-E91 PolarHBondContact O-N 3.43Å; S87-E91 VanDerWaalsContact O-N 3.16Å; S87-E91 PolarHBondContact OG-OE1 3.29Å; E91-D93 VanDerWaalsContact C-N 3.34Å; E91-D93 PolarHBondContact O-N 2.86Å; E91-E94 PolarHBondContact O-N 3.24Å; E91-L95 WeakPolarHBondContact O-CB 3.35Å; E91-L95 WeakPolarHBondContact O-CG 3.13Å; E91-L95 PolarHBondContact O-N 2.98Å
92D80.4Confident74.7Confident76 Ų76102.4 Ų102.441%0.40653%0.526SS..Hα-helixtrans-62.6-39.2176.2171.649000112.1E88 R96E88-D92 PolarHBondContact O-N 3.4Å; D92-R96 WeakPolarHBondContact O-CB 3.11Å; D92-R96 PolarHBondContact O-N 3.41Å; D92-R96 IonicContact OD1-CZ 2.74Å; D92-R96 IonicContact OD1-NH1 2.69Å; D92-R96 IonicContact OD1-NH2 3.38Å; D92-R96 PolarHBondContact OD1-NH2 3.33Å; D92-R96 IonicContact OD2-CZ 3.95Å; D92-R96 IonicContact OD2-NH1 2.79Å; D92-R96 PolarHBondContact OD2-NH1 2.73Å; D92-R96 IonicContact OD2-NH2 3.14Å; D92-R96 PolarHBondContact OD2-NH2 3.38Å
93D86.2Confident76.8Confident74 Ų7499.1 Ų99.140%0.39649%0.494SS..Hα-helixtrans-70.6-29.9173.7-92-20.5000113.3K89 E90 E91 R96 K97K89-D93 WeakPolarHBondContact O-CB 3.15Å; K89-D93 PolarHBondContact O-N 2.95Å; K89-D93 VanDerWaalsContact O-N 3.09Å; E90-D93 PolarHBondContact O-N 3.5Å; E91-D93 VanDerWaalsContact C-N 3.34Å; E91-D93 PolarHBondContact O-N 2.86Å; D93-R96 IonicContact OD1-CZ 3.36Å; D93-R96 IonicContact OD1-NH1 3.77Å; D93-R96 PolarHBondContact OD1-NH1 2.97Å; D93-K97 WeakPolarHBondContact O-CD 3.3Å; D93-K97 WeakPolarHBondContact O-CE 3.41Å; D93-K97 WeakPolarHBondContact O-CG 3.48Å; D93-K97 PolarHBondContact O-N 2.92Å; D93-K97 VanDerWaalsContact O-N 3.13Å
94E92.2Very high78.9Confident117 Ų11797.7 Ų97.755%0.54748%0.479SS..Hα-helixtrans-69.4-48.5169.1178.2159.5-147.100112.2E90 E91 R96 K97 S98E90-E94 PolarHBondContact O-N 3.12Å; E91-E94 PolarHBondContact O-N 3.24Å; E94-R96 PolarHBondContact O-N 2.99Å; E94-K97 CarbonylContact O-C 3.58Å; E94-K97 WeakPolarHBondContact O-CB 3.49Å; E94-K97 PolarHBondContact O-N 2.89Å; E94-K97 VanDerWaalsContact O-N 3.11Å; E94-S98 WeakPolarHBondContact O-CB 3.47Å; E94-S98 PolarHBondContact O-N 3.43Å
95L91.3Very high80.7Confident113 Ų11399.2 Ų99.259%0.59249%0.49SS*.Hα-helixtrans-56.2-41.8176.9-72.4171.1000111.1E91 S98 L99E91-L95 WeakPolarHBondContact O-CB 3.35Å; E91-L95 WeakPolarHBondContact O-CG 3.13Å; E91-L95 PolarHBondContact O-N 2.98Å; L95-S98 PolarHBondContact O-N 3.32Å; L95-L99 WeakPolarHBondContact O-CG 3.28Å; L95-L99 PolarHBondContact O-N 3.15Å
96R89.5Confident82.5Confident95 Ų95101.9 Ų101.936%0.35849%0.486SS..Hα-helixtrans-57.9-52.3173-178170.8-65.8117.114.3112.2D92 D93 E94 S98 L99 D100D92-R96 WeakPolarHBondContact O-CB 3.11Å; D92-R96 PolarHBondContact O-N 3.41Å; D92-R96 IonicContact OD1-CZ 2.74Å; D92-R96 IonicContact OD1-NH1 2.69Å; D92-R96 IonicContact OD1-NH2 3.38Å; D92-R96 PolarHBondContact OD1-NH2 3.33Å; D92-R96 IonicContact OD2-CZ 3.95Å; D92-R96 IonicContact OD2-NH1 2.79Å; D92-R96 PolarHBondContact OD2-NH1 2.73Å; D92-R96 IonicContact OD2-NH2 3.14Å; D92-R96 PolarHBondContact OD2-NH2 3.38Å; D93-R96 IonicContact OD1-CZ 3.36Å; D93-R96 IonicContact OD1-NH1 3.77Å; D93-R96 PolarHBondContact OD1-NH1 2.97Å; E94-R96 PolarHBondContact O-N 2.99Å; R96-S98 VanDerWaalsContact C-N 3.27Å; R96-S98 PolarHBondContact O-N 2.89Å; R96-L99 PolarHBondContact O-N 3.16Å; R96-D100 PolarHBondContact O-N 3.08Å
97K92.9Very high84.4Confident110 Ų11093.6 Ų93.648%0.47845%0.448SS..Hα-helixtrans-59.1-37.8174.6-66.3156-155.9153.20111.4D93 E94 D100 R101D93-K97 WeakPolarHBondContact O-CD 3.3Å; D93-K97 WeakPolarHBondContact O-CE 3.41Å; D93-K97 WeakPolarHBondContact O-CG 3.48Å; D93-K97 PolarHBondContact O-N 2.92Å; D93-K97 VanDerWaalsContact O-N 3.13Å; E94-K97 CarbonylContact O-C 3.58Å; E94-K97 WeakPolarHBondContact O-CB 3.49Å; E94-K97 PolarHBondContact O-N 2.89Å; E94-K97 VanDerWaalsContact O-N 3.11Å; K97-D100 PolarHBondContact O-N 3.1Å; K97-R101 WeakPolarHBondContact O-CG 3.38Å; K97-R101 PolarHBondContact O-N 3.24Å
98S95.1Very high85.8Confident54 Ų5495.1 Ų95.138%0.37845%0.447SS..Hα-helixtrans-68.1-42.4-180-142.40000112.6E94 L95 R96 R101 F102E94-S98 WeakPolarHBondContact O-CB 3.47Å; E94-S98 PolarHBondContact O-N 3.43Å; L95-S98 PolarHBondContact O-N 3.32Å; R96-S98 VanDerWaalsContact C-N 3.27Å; R96-S98 PolarHBondContact O-N 2.89Å; S98-R101 VanDerWaalsContact CB-NH2 3.32Å; S98-R101 PolarHBondContact O-N 2.95Å; S98-R101 PolarHBondContact OG-NH2 3.31Å; S98-F102 PolarHBondContact O-N 3.1Å
99L92.8Very high86.7Confident80 Ų8094.1 Ų94.142%0.41945%0.449SS..Hα-helixtrans-64.5-39.6172-72.4171.5000112L95 R96 F102 Y103L95-L99 WeakPolarHBondContact O-CG 3.28Å; L95-L99 PolarHBondContact O-N 3.15Å; R96-L99 PolarHBondContact O-N 3.16Å; L99-F102 WeakPolarHBondContact O-CB 3.21Å; L99-F102 PolarHBondContact O-N 2.93Å; L99-Y103 HydrophobicContact CB-CD2 4.43Å; L99-Y103 HydrophobicContact CB-CE2 4.12Å; L99-Y103 HydrophobicContact CD2-CE2 4.49Å; L99-Y103 WeakPolarHBondContact O-CD2 3.31Å; L99-Y103 PolarHBondContact O-N 3.17Å
100D92.8Very high87.2Confident67 Ų6792.8 Ų92.836%0.35845%0.446SS..Hα-helixtrans-64-40.3174.2-78.9-53.5000112.4R96 K97 F102 Y103 E104 R143R96-D100 PolarHBondContact O-N 3.08Å; K97-D100 PolarHBondContact O-N 3.1Å; D100-F102 VanDerWaalsContact C-N 3.34Å; D100-F102 PolarHBondContact O-N 3.23Å; D100-Y103 PolarHBondContact O-N 3.43Å; D100-E104 WeakPolarHBondContact O-CB 3.47Å; D100-E104 PolarHBondContact O-N 3.43Å; D100-E104 VanDerWaalsContact O-N 3.14Å; D100-R143 IonicContact OD1-CZ 3.92Å; D100-R143 IonicContact OD1-NH1 2.73Å; D100-R143 PolarHBondContact OD1-NH1 3.48Å; D100-R143 IonicContact OD1-NH2 2.66Å; D100-R143 PolarHBondContact OD1-NH2 2.9Å; D100-R143 VanDerWaalsContact OD1-NH2 3.14Å; D100-R143 IonicContact OD2-CZ 3.69Å; D100-R143 IonicContact OD2-NH1 2.82Å; D100-R143 IonicContact OD2-NH2 3.73Å; D100-R143 PolarHBondContact OD2-NH2 3.03Å
101R95.4Very high87Confident136 Ų13692.1 Ų92.151%0.51345%0.454SS..Hα-helixtrans-59.2-42.8170.5-70.6-179.7-60.3-125.36.3111.8K97 S98 E104 M105K97-R101 WeakPolarHBondContact O-CG 3.38Å; K97-R101 PolarHBondContact O-N 3.24Å; S98-R101 VanDerWaalsContact CB-NH2 3.32Å; S98-R101 PolarHBondContact O-N 2.95Å; S98-R101 PolarHBondContact OG-NH2 3.31Å; R101-E104 PolarHBondContact O-N 2.99Å; R101-M105 VanDerWaalsContact O-CB 3.3Å; R101-M105 WeakPolarHBondContact O-CB 3.49Å; R101-M105 PolarHBondContact O-N 3.14Å
102F94.6Very high86.6Confident75 Ų7591.1 Ų91.133%0.32947%0.472SS..Hα-helixtrans-62.6-50.5177.6173.3-90.3000112.5S98 L99 D100 E104 M105 F106 M147 V150S98-F102 PolarHBondContact O-N 3.1Å; L99-F102 WeakPolarHBondContact O-CB 3.21Å; L99-F102 PolarHBondContact O-N 2.93Å; D100-F102 VanDerWaalsContact C-N 3.34Å; D100-F102 PolarHBondContact O-N 3.23Å; F102-E104 PolarHBondContact O-N 3.27Å; F102-M105 PolarHBondContact O-N 3.46Å; F102-F106 AromaticContact CD2-CD2 3.4Å; F102-F106 HydrophobicContact CD2-CD2 3.4Å; F102-F106 VanDerWaalsContact CD2-CD2 3.4Å; F102-F106 AromaticContact CD2-CE2 3.58Å; F102-F106 HydrophobicContact CD2-CE2 3.58Å; F102-F106 AromaticContact CE2-CD2 3.47Å; F102-F106 HydrophobicContact CE2-CD2 3.47Å; F102-F106 VanDerWaalsContact CE2-CD2 3.47Å; F102-F106 AromaticContact CE2-CE2 3.76Å; F102-F106 HydrophobicContact CE2-CE2 3.76Å; F102-F106 HydrophobicContact CE2-CG 4.3Å; F102-F106 HydrophobicContact CG-CD2 4.05Å; F102-F106 HydrophobicContact CZ-CD2 4.18Å; F102-F106 WeakPolarHBondContact O-CD2 3.28Å; F102-F106 PolarHBondContact O-N 3.31Å; F102-M147 HydrophobicContact CE1-CE 4.22Å; F102-V150 HydrophobicContact CE1-CG1 4.27Å; F102-V150 HydrophobicContact CE1-CG2 4.18Å; F102-V150 HydrophobicContact CZ-CG1 4.12Å
103Y93.4Very high85.8Confident18 Ų1891 Ų917%0.07148%0.477CS..Hα-helixtrans-69.5-17-178.8-67.9-56.3000114.4L99 D100 G107 Q146 M147 R149 V150L99-Y103 HydrophobicContact CB-CD2 4.43Å; L99-Y103 HydrophobicContact CB-CE2 4.12Å; L99-Y103 HydrophobicContact CD2-CE2 4.49Å; L99-Y103 WeakPolarHBondContact O-CD2 3.31Å; L99-Y103 PolarHBondContact O-N 3.17Å; D100-Y103 PolarHBondContact O-N 3.43Å; Y103-G107 WeakPolarHBondContact O-CA 3.29Å; Y103-G107 PolarHBondContact O-N 3.48Å; Y103-Q146 HydrophobicContact CD1-CB 3.6Å; Y103-Q146 HydrophobicContact CD2-CB 4.2Å; Y103-Q146 HydrophobicContact CE1-CB 4.02Å; Y103-Q146 HydrophobicContact CG-CB 3.71Å; Y103-Q146 HydrophobicContact CG-CG 4.37Å; Y103-M147 HydrophobicContact CE1-CB 3.96Å; Y103-M147 HydrophobicContact CE1-CE 3.88Å; Y103-M147 HydrophobicContact CE1-SD 4.32Å; Y103-R149 PolarHBondContact O-NH2 3.45Å; Y103-V150 HydrophobicContact CD1-CG2 4.04Å
104E92.9Very high84.6Confident98 Ų9891.5 Ų91.546%0.45849%0.491SS..Hα-helixtrans-84.3-51.4169.4-164.557-15000110.7D100 R101 F102 F106 G107 H108D100-E104 WeakPolarHBondContact O-CB 3.47Å; D100-E104 PolarHBondContact O-N 3.43Å; D100-E104 VanDerWaalsContact O-N 3.14Å; R101-E104 PolarHBondContact O-N 2.99Å; F102-E104 PolarHBondContact O-N 3.27Å; E104-F106 PolarHBondContact O-N 3.48Å; E104-G107 PolarHBondContact O-N 2.93Å; E104-G107 VanDerWaalsContact O-N 3.17Å; E104-H108 PolarHBondContact O-CD2 3.23Å; E104-H108 PolarHBondContact O-NE2 2.97Å; E104-H108 IonicContact OE1-CD2 2.75Å; E104-H108 IonicContact OE1-CE1 2.63Å; E104-H108 PolarHBondContact OE1-CE1 2.94Å; E104-H108 IonicContact OE1-NE2 2.9Å; E104-H108 PolarHBondContact OE1-NE2 3.34Å
105M91.1Very high83.9Confident143 Ų14389.8 Ų89.870%0.70449%0.486SS*.Hα-helixtrans-58.1-48.8-178.5-170.76770.600113.2R101 F102R101-M105 VanDerWaalsContact O-CB 3.3Å; R101-M105 WeakPolarHBondContact O-CB 3.49Å; R101-M105 PolarHBondContact O-N 3.14Å; F102-M105 PolarHBondContact O-N 3.46Å
106F89.3Confident83.4Confident113 Ų11389.3 Ų89.350%0.49649%0.49SS..THydrogen-bonded Turntrans-94.22.4179.3-56.7-77.7000112.8F102 E104 H108 V150 N153F102-F106 AromaticContact CD2-CD2 3.4Å; F102-F106 HydrophobicContact CD2-CD2 3.4Å; F102-F106 VanDerWaalsContact CD2-CD2 3.4Å; F102-F106 AromaticContact CD2-CE2 3.58Å; F102-F106 HydrophobicContact CD2-CE2 3.58Å; F102-F106 AromaticContact CE2-CD2 3.47Å; F102-F106 HydrophobicContact CE2-CD2 3.47Å; F102-F106 VanDerWaalsContact CE2-CD2 3.47Å; F102-F106 AromaticContact CE2-CE2 3.76Å; F102-F106 HydrophobicContact CE2-CE2 3.76Å; F102-F106 HydrophobicContact CE2-CG 4.3Å; F102-F106 HydrophobicContact CG-CD2 4.05Å; F102-F106 HydrophobicContact CZ-CD2 4.18Å; F102-F106 WeakPolarHBondContact O-CD2 3.28Å; F102-F106 PolarHBondContact O-N 3.31Å; E104-F106 PolarHBondContact O-N 3.48Å; F106-H108 VanDerWaalsContact C-N 3.3Å; F106-H108 PolarHBondContact O-N 2.99Å; F106-V150 HydrophobicContact CB-CB 4.49Å; F106-V150 HydrophobicContact CB-CG1 3.81Å; F106-V150 HydrophobicContact CB-CG2 4Å; F106-N153 PolarHBondContact O-ND2 3Å; F106-N153 VanDerWaalsContact O-ND2 3.1Å
107G86.9Confident83Confident2 Ų286.2 Ų86.22%0.02148%0.481CS..SBendtrans-77.8-10.4-178.200000115.1Y103 E104 R149 N153Y103-G107 WeakPolarHBondContact O-CA 3.29Å; Y103-G107 PolarHBondContact O-N 3.48Å; E104-G107 PolarHBondContact O-N 2.93Å; E104-G107 VanDerWaalsContact O-N 3.17Å; G107-R149 WeakPolarHBondContact O-CD 3.3Å; G107-R149 WeakPolarHBondContact O-CG 3.47Å; G107-R149 PolarHBondContact O-NE 3.46Å; G107-R149 PolarHBondContact O-NH1 3.29Å; G107-N153 PolarHBondContact O-ND2 3.38Å
108H84.6Confident82.6Confident98 Ų9881.7 Ų81.745%0.45446%0.463SS..SBendtrans-108.1146.1-178.3-58.7-62.8000111.7E104 F106 N153E104-H108 PolarHBondContact O-CD2 3.23Å; E104-H108 PolarHBondContact O-NE2 2.97Å; E104-H108 IonicContact OE1-CD2 2.75Å; E104-H108 IonicContact OE1-CE1 2.63Å; E104-H108 PolarHBondContact OE1-CE1 2.94Å; E104-H108 IonicContact OE1-NE2 2.9Å; E104-H108 PolarHBondContact OE1-NE2 3.34Å; F106-H108 VanDerWaalsContact C-N 3.3Å; F106-H108 PolarHBondContact O-N 2.99Å; H108-N153 VanDerWaalsContact C-ND2 3.34Å; H108-N153 PolarHBondContact N-ND2 3.12Å; H108-N153 PolarHBondContact O-ND2 2.84Å
109P76Confident82.1Confident81 Ų8181.4 Ų81.453%0.52647%0.465SS..  trans-62.7141176.3-21.633.1000112.1
110Q72Confident81.9Confident148 Ų14880.5 Ų80.569%0.69247%0.465SS*.  trans-71.4133.8176.2-163.2171.818.300110.7G112 S113Q110-G112 PolarHBondContact O-N 2.9Å; Q110-S113 PolarHBondContact O-OG 3.34Å
111P65.6Low81.7Confident132 Ų13277.3 Ų77.386%0.85745%0.448SS*.THydrogen-bonded Turntrans-61.3112.3179.2-24.934.9000112.1
112G63.8Low81.4Confident83 Ų8371.2 Ų71.286%0.85643%0.426SS*.THydrogen-bonded Turntrans125.2-16.6173.200000116.4Q110Q110-G112 PolarHBondContact O-N 2.9Å
113S63.9Low81.2Confident73 Ų7375.1 Ų75.151%0.5144%0.443SS..  trans-101.717.4-173.260.10000115.4Q110 N115Q110-S113 PolarHBondContact O-OG 3.34Å; S113-N115 PolarHBondContact O-N 3.36Å
114A61.3Low81.1Confident85 Ų8575 Ų7570%0.70244%0.444SS*.  trans-74.483-164.800000115.1
115N77.6Confident81.2Confident81 Ų8170.3 Ų70.343%0.43342%0.423SS..  trans-65.8133.5160176.3-33.8000109.5S113 V117 S118 A119S113-N115 PolarHBondContact O-N 3.36Å; N115-V117 VanDerWaalsContact C-N 3.27Å; N115-V117 PolarHBondContact O-N 2.85Å; N115-V117 WeakPolarHBondContact OD1-CB 3.47Å; N115-V117 PolarHBondContact OD1-N 3.31Å; N115-S118 PolarHBondContact O-N 3.22Å; N115-S118 PolarHBondContact O-OG 2.8Å; N115-S118 VanDerWaalsContact O-OG 3.1Å; N115-A119 PolarHBondContact O-N 3.29Å
116P80.6Confident81.3Confident104 Ų10465.4 Ų65.468%0.67540%0.402SS*.Hα-helixtrans-59.9-32.5-178.723.6-34.5000113.9S120P116-S120 WeakPolarHBondContact O-CB 3.21Å; P116-S120 PolarHBondContact O-N 2.93Å
117V81.5Confident81.5Confident29 Ų2966.6 Ų66.618%0.17641%0.409CS..Hα-helixtrans-71.1-45.2179.4-172.30000110.7N115 A119 S120 V121 L205N115-V117 VanDerWaalsContact C-N 3.27Å; N115-V117 PolarHBondContact O-N 2.85Å; N115-V117 WeakPolarHBondContact OD1-CB 3.47Å; N115-V117 PolarHBondContact OD1-N 3.31Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 2.66Å; V117-S120 WeakPolarHBondContact O-CB 3.01Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 VanDerWaalsContact O-N 3.15Å; V117-V121 WeakPolarHBondContact O-CG2 3.21Å; V117-V121 PolarHBondContact O-N 3.37Å; V117-L205 HydrophobicContact CG1-CD1 4.23Å
118S83.2Confident81.8Confident15 Ų1568.7 Ų68.711%0.10542%0.418CS..Hα-helixtrans-67.9-35.1176.762.70000112.1N115 S120 V121 C122 C157N115-S118 PolarHBondContact O-N 3.22Å; N115-S118 PolarHBondContact O-OG 2.8Å; N115-S118 VanDerWaalsContact O-OG 3.1Å; S118-S120 VanDerWaalsContact C-N 3.31Å; S118-S120 PolarHBondContact O-N 2.86Å; S118-V121 PolarHBondContact O-N 3.47Å; S118-C122 WeakPolarHBondContact O-CB 3.43Å; S118-C122 PolarHBondContact O-N 2.95Å; S118-C122 PolarHBondContact O-SG 2.56Å; S118-C157 VanDerWaalsContact CA-SG 3.57Å
119A85.1Confident82.3Confident49 Ų4964.2 Ų64.241%0.40540%0.397SS..Hα-helixtrans-60.2-40.1170.600000112.1N115 V117 K123N115-A119 PolarHBondContact O-N 3.29Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 2.66Å; A119-K123 VanDerWaalsContact O-CB 3.28Å; A119-K123 WeakPolarHBondContact O-CB 3.3Å; A119-K123 PolarHBondContact O-N 3.01Å
120S87.7Confident83.2Confident60 Ų6064.5 Ų64.542%0.4240%0.398SS..Hα-helixtrans-65.1-44.7174.7-160.50000112.1P116 V117 S118 K123 C124P116-S120 WeakPolarHBondContact O-CB 3.21Å; P116-S120 PolarHBondContact O-N 2.93Å; V117-S120 WeakPolarHBondContact O-CB 3.01Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 VanDerWaalsContact O-N 3.15Å; S118-S120 VanDerWaalsContact C-N 3.31Å; S118-S120 PolarHBondContact O-N 2.86Å; S120-K123 PolarHBondContact O-N 3.33Å; S120-C124 WeakPolarHBondContact O-CB 3.45Å; S120-C124 PolarHBondContact O-N 2.91Å
121V89.3Confident84.2Confident1 Ų163.5 Ų63.51%0.00639%0.393CS..Hα-helixtrans-59.5-52.1174.4171.80000111.2V117 S118 K123 C124 L125 F152 L196 V201V117-V121 WeakPolarHBondContact O-CG2 3.21Å; V117-V121 PolarHBondContact O-N 3.37Å; S118-V121 PolarHBondContact O-N 3.47Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 2.73Å; V121-C124 WeakPolarHBondContact O-CB 3.46Å; V121-C124 PolarHBondContact O-N 3.02Å; V121-C124 VanDerWaalsContact O-N 3.12Å; V121-L125 HydrophobicContact CG1-CD1 3.69Å; V121-L125 HydrophobicContact CG1-CG 4.22Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 3.03Å; V121-F152 HydrophobicContact CG1-CB 4.27Å; V121-F152 HydrophobicContact CG1-CD1 3.81Å; V121-F152 HydrophobicContact CG1-CD2 3.75Å; V121-F152 HydrophobicContact CG1-CE1 4.02Å; V121-F152 HydrophobicContact CG1-CE2 3.99Å; V121-F152 HydrophobicContact CG1-CG 3.67Å; V121-F152 HydrophobicContact CG1-CZ 4.12Å; V121-L196 HydrophobicContact CG1-CD1 3.95Å; V121-L196 HydrophobicContact CG1-CD2 4.03Å; V121-V201 HydrophobicContact CB-CG1 4.39Å; V121-V201 HydrophobicContact CG2-CB 4.36Å; V121-V201 HydrophobicContact CG2-CG1 3.6Å
122C89.4Confident85.6Confident8 Ų857.8 Ų57.85%0.05436%0.355CS..Hα-helixtrans-65.5-31-178.7-69.50000113S118 S126 N153S118-C122 WeakPolarHBondContact O-CB 3.43Å; S118-C122 PolarHBondContact O-N 2.95Å; S118-C122 PolarHBondContact O-SG 2.56Å; C122-S126 VanDerWaalsContact O-CB 3.28Å; C122-S126 WeakPolarHBondContact O-CB 3.34Å; C122-S126 PolarHBondContact O-N 3.12Å; C122-S126 PolarHBondContact O-OG 3.29Å; C122-N153 PolarHBondContact SG-OD1 3.09Å
123K90.3Very high86.8Confident157 Ų15761.5 Ų61.568%0.68334%0.343SS*.Hα-helixtrans-64.7-48.8169.3-179.3-178176.5-175.80111.5A119 S120 V121 L125 S126 Q127A119-K123 VanDerWaalsContact O-CB 3.28Å; A119-K123 WeakPolarHBondContact O-CB 3.3Å; A119-K123 PolarHBondContact O-N 3.01Å; S120-K123 PolarHBondContact O-N 3.33Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 2.73Å; K123-L125 PolarHBondContact O-N 3.14Å; K123-S126 PolarHBondContact O-N 3.49Å; K123-Q127 PolarHBondContact O-N 3.27Å
124C92.2Very high87.9Confident15 Ų1561.8 Ų61.810%0.10136%0.358CS..Hα-helixtrans-61.4-43.5178.5-1720000112.2S120 V121 Q127 K128 L196 V201S120-C124 WeakPolarHBondContact O-CB 3.45Å; S120-C124 PolarHBondContact O-N 2.91Å; V121-C124 WeakPolarHBondContact O-CB 3.46Å; V121-C124 PolarHBondContact O-N 3.02Å; V121-C124 VanDerWaalsContact O-N 3.12Å; C124-Q127 PolarHBondContact O-N 3.37Å; C124-K128 PolarHBondContact O-N 2.97Å; C124-K128 VanDerWaalsContact O-N 3.08Å; C124-L196 HydrophobicContact CB-CD2 4.49Å; C124-V201 HydrophobicContact CB-CG2 4.09Å
125L93.2Very high89.2Confident0 Ų062.7 Ų62.70%035%0.347CS..Hα-helixtrans-63.3-42.9174.6-66.3170000111.3V121 K123 Q127 K128 I129 F145 A148 R149 F152 I192 L196V121-L125 HydrophobicContact CG1-CD1 3.69Å; V121-L125 HydrophobicContact CG1-CG 4.22Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 3.03Å; K123-L125 PolarHBondContact O-N 3.14Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.91Å; L125-K128 PolarHBondContact O-N 3.29Å; L125-K128 VanDerWaalsContact O-N 3.08Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 3.43Å; L125-F145 HydrophobicContact CD2-CD1 3.66Å; L125-F145 HydrophobicContact CD2-CE1 4.03Å; L125-A148 HydrophobicContact CD1-CB 4.35Å; L125-A148 HydrophobicContact CD2-CB 4.38Å; L125-R149 HydrophobicContact CB-CB 4.49Å; L125-R149 HydrophobicContact CD1-CB 4.49Å; L125-F152 HydrophobicContact CD1-CB 4.47Å; L125-F152 HydrophobicContact CD1-CD2 3.49Å; L125-F152 VanDerWaalsContact CD1-CD2 3.49Å; L125-F152 HydrophobicContact CD1-CE2 4.11Å; L125-F152 HydrophobicContact CD1-CG 4.27Å; L125-I192 HydrophobicContact CD2-CG2 4.01Å; L125-L196 HydrophobicContact CD2-CD1 4.35Å; L125-L196 HydrophobicContact CD2-CD2 4.09Å; L125-L196 HydrophobicContact CD2-CG 4.36Å; L125-L196 HydrophobicContact CG-CD2 4.25Å
126S93.1Very high89.5Confident39 Ų3965.3 Ų65.327%0.27336%0.357SS..Hα-helixtrans-63.9-37.6178.1-61.40000112.6C122 K123 K128 I129 T130 R149C122-S126 VanDerWaalsContact O-CB 3.28Å; C122-S126 WeakPolarHBondContact O-CB 3.34Å; C122-S126 PolarHBondContact O-N 3.12Å; C122-S126 PolarHBondContact O-OG 3.29Å; K123-S126 PolarHBondContact O-N 3.49Å; S126-K128 VanDerWaalsContact C-N 3.32Å; S126-I129 PolarHBondContact O-N 3.4Å; S126-T130 PolarHBondContact O-N 3.4Å; S126-T130 PolarHBondContact O-OG1 2.85Å; S126-R149 WeakPolarHBondContact OG-CD 3.49Å
127Q93.9Very high89.8Confident138 Ų13865.2 Ų65.265%0.64536%0.359SS*.Hα-helixtrans-64.9-34.5171.7-176.8176.2-11.600112.4K123 C124 L125 T130 Q131K123-Q127 PolarHBondContact O-N 3.27Å; C124-Q127 PolarHBondContact O-N 3.37Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.91Å; Q127-T130 PolarHBondContact O-OG1 3.16Å; Q127-T130 VanDerWaalsContact O-OG1 3.06Å; Q127-Q131 PolarHBondContact O-N 3.27Å; Q127-Q131 VanDerWaalsContact O-N 3.15Å
128K94.6Very high90.2Very high47 Ų4767.5 Ų67.520%0.20437%0.368CS..Hα-helixtrans-72.7-40.4175.1-167.757.9175.8-179.50112.2C124 L125 S126 T130 Q131 L132 F145 F195C124-K128 PolarHBondContact O-N 2.97Å; C124-K128 VanDerWaalsContact O-N 3.08Å; L125-K128 PolarHBondContact O-N 3.29Å; L125-K128 VanDerWaalsContact O-N 3.08Å; S126-K128 VanDerWaalsContact C-N 3.32Å; K128-T130 VanDerWaalsContact C-N 3.33Å; K128-T130 PolarHBondContact O-N 2.92Å; K128-Q131 PolarHBondContact O-N 3.03Å; K128-L132 HydrophobicContact CG-CD1 4.2Å; K128-L132 WeakPolarHBondContact O-CG 3.17Å; K128-L132 PolarHBondContact O-N 2.94Å; K128-F145 HydrophobicContact CB-CD1 4.25Å; K128-F145 HydrophobicContact CB-CE1 4.37Å; K128-F145 HydrophobicContact CG-CD1 3.94Å; K128-F145 HydrophobicContact CG-CD2 3.93Å; K128-F145 HydrophobicContact CG-CE1 3.8Å; K128-F145 HydrophobicContact CG-CE2 3.79Å; K128-F145 HydrophobicContact CG-CG 4.03Å; K128-F145 HydrophobicContact CG-CZ 3.74Å; K128-F195 HydrophobicContact CB-CE1 4.02Å; K128-F195 HydrophobicContact CB-CE2 4.5Å; K128-F195 HydrophobicContact CB-CZ 3.75Å; K128-F195 HydrophobicContact CD-CE2 3.81Å; K128-F195 HydrophobicContact CD-CZ 3.92Å; K128-F195 HydrophobicContact CG-CE1 4.19Å; K128-F195 HydrophobicContact CG-CE2 4.14Å; K128-F195 HydrophobicContact CG-CZ 3.84Å
129I94.3Very high90.6Very high4 Ų472.1 Ų72.12%0.02139%0.386CS..Hα-helixtrans-59.5-42.1174.2-70.2163.8000111L125 S126 L132 R133 L142 F145 Q146 R149L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 3.43Å; S126-I129 PolarHBondContact O-N 3.4Å; I129-L132 PolarHBondContact O-N 3.3Å; I129-R133 PolarHBondContact O-N 3.44Å; I129-L142 HydrophobicContact CB-CD1 4.42Å; I129-L142 HydrophobicContact CG2-CD1 3.89Å; I129-F145 HydrophobicContact CG1-CB 3.83Å; I129-Q146 HydrophobicContact CD1-CG 4.15Å; I129-Q146 HydrophobicContact CG1-CG 4.27Å; I129-Q146 HydrophobicContact CG2-CG 4.27Å; I129-R149 HydrophobicContact CD1-CB 4.08Å
130T94.2Very high90.9Very high87 Ų8778.1 Ų78.153%0.53440%0.399SS..Hα-helixtrans-70.8-33.6176.251.10000112.9S126 Q127 K128 L132 R133S126-T130 PolarHBondContact O-N 3.4Å; S126-T130 PolarHBondContact O-OG1 2.85Å; Q127-T130 PolarHBondContact O-OG1 3.16Å; Q127-T130 VanDerWaalsContact O-OG1 3.06Å; K128-T130 VanDerWaalsContact C-N 3.33Å; K128-T130 PolarHBondContact O-N 2.92Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 3.15Å; T130-R133 WeakPolarHBondContact O-CB 3.31Å; T130-R133 PolarHBondContact O-N 2.86Å
131Q94.3Very high91.2Very high126 Ų12676.3 Ų76.359%0.58939%0.388SS*.Hα-helixtrans-63.5-36.8171.6-171.1-174.440.700112.7Q127 K128 R133Q127-Q131 PolarHBondContact O-N 3.27Å; Q127-Q131 VanDerWaalsContact O-N 3.15Å; K128-Q131 PolarHBondContact O-N 3.03Å; Q131-R133 VanDerWaalsContact C-N 3.34Å
132L93.4Very high91.4Very high12 Ų1277.8 Ų77.86%0.06340%0.395CS..Hα-helixtrans-84.3-6.3-178.9-63174.2000113.5K128 I129 T130 G134 Q135 Q138 A141 L142 F145K128-L132 HydrophobicContact CG-CD1 4.2Å; K128-L132 WeakPolarHBondContact O-CG 3.17Å; K128-L132 PolarHBondContact O-N 2.94Å; I129-L132 PolarHBondContact O-N 3.3Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 3.15Å; L132-G134 PolarHBondContact O-N 3.1Å; L132-Q135 WeakPolarHBondContact O-CB 3.27Å; L132-Q135 PolarHBondContact O-N 3.02Å; L132-Q138 HydrophobicContact CD2-CB 4.04Å; L132-Q138 HydrophobicContact CD2-CG 4.24Å; L132-A141 HydrophobicContact CD1-CB 4.14Å; L132-L142 HydrophobicContact CB-CB 4.16Å; L132-L142 HydrophobicContact CB-CD1 4.05Å; L132-F145 HydrophobicContact CD1-CD2 3.48Å; L132-F145 VanDerWaalsContact CD1-CD2 3.48Å; L132-F145 HydrophobicContact CD1-CE2 4.02Å; L132-F145 HydrophobicContact CD1-CG 4.36Å
133R90.7Very high91.6Very high161 Ų16180.2 Ų80.261%0.60840%0.404SS*.THydrogen-bonded Turntrans-69.2130.9179-168.7-179.8-65.1-92.84.7110.4I129 T130 Q131 Q135I129-R133 PolarHBondContact O-N 3.44Å; T130-R133 WeakPolarHBondContact O-CB 3.31Å; T130-R133 PolarHBondContact O-N 2.86Å; Q131-R133 VanDerWaalsContact C-N 3.34Å; R133-Q135 VanDerWaalsContact C-N 3.26Å; R133-Q135 PolarHBondContact O-N 3.48Å
134G85.6Confident91.7Very high79 Ų7973.6 Ų73.681%0.81438%0.377SS*.THydrogen-bonded Turntrans79.4-0.7-177.600000115L132 E136L132-G134 PolarHBondContact O-N 3.1Å; G134-E136 PolarHBondContact O-N 3.32Å
135Q88.9Confident91.8Very high104 Ų10473.6 Ų73.649%0.48638%0.375SS..  trans-8692.1172.6-67-93.5-64.400109.5L132 R133 S137 Q138L132-Q135 WeakPolarHBondContact O-CB 3.27Å; L132-Q135 PolarHBondContact O-N 3.02Å; R133-Q135 VanDerWaalsContact C-N 3.26Å; R133-Q135 PolarHBondContact O-N 3.48Å; Q135-S137 PolarHBondContact O-N 3.47Å; Q135-S137 VanDerWaalsContact O-N 3.17Å; Q135-Q138 HydrophobicContact CB-CB 3.81Å; Q135-Q138 HydrophobicContact CB-CG 3.99Å; Q135-Q138 PolarHBondContact O-N 2.86Å
136E83.2Confident91.9Very high137 Ų13774.2 Ų74.264%0.6438%0.378SS*.G310 helixtrans-53.7-37.3-175.2-174.962.8-168.500113.5G134 Q138 K139G134-E136 PolarHBondContact O-N 3.32Å; E136-Q138 VanDerWaalsContact C-N 3.3Å; E136-Q138 PolarHBondContact O-N 3.29Å; E136-K139 WeakPolarHBondContact O-CG 3.17Å; E136-K139 WeakPolarHBondContact OE1-CE 3.19Å; E136-K139 IonicContact OE1-NZ 2.72Å; E136-K139 PolarHBondContact OE1-NZ 3.16Å; E136-K139 WeakPolarHBondContact OE2-CE 3.14Å; E136-K139 IonicContact OE2-NZ 3.68Å; E136-K139 PolarHBondContact OE2-NZ 3.09Å
137S88.7Confident92Very high102 Ų10275.1 Ų75.171%0.71338%0.379SS*.G310 helixtrans-74.9-11.2177.355.30000114.9Q135Q135-S137 PolarHBondContact O-N 3.47Å; Q135-S137 VanDerWaalsContact O-N 3.17Å
138Q90.1Very high91.9Very high77 Ų7768.6 Ų68.636%0.3635%0.348SS..G310 helixtrans-109.616.1-174.6-64.2-64.6-31.300113.2L132 Q135 E136 Y140 A141 L142L132-Q138 HydrophobicContact CD2-CB 4.04Å; L132-Q138 HydrophobicContact CD2-CG 4.24Å; Q135-Q138 HydrophobicContact CB-CB 3.81Å; Q135-Q138 HydrophobicContact CB-CG 3.99Å; Q135-Q138 PolarHBondContact O-N 2.86Å; E136-Q138 VanDerWaalsContact C-N 3.3Å; E136-Q138 PolarHBondContact O-N 3.29Å; Q138-Y140 VanDerWaalsContact C-N 3.28Å; Q138-Y140 PolarHBondContact O-N 3.49Å; Q138-A141 PolarHBondContact O-N 3.28Å; Q138-A141 VanDerWaalsContact O-N 3.15Å; Q138-L142 WeakPolarHBondContact O-CB 3.24Å; Q138-L142 PolarHBondContact O-N 3.49Å
139K90.9Very high91.8Very high112 Ų11267.4 Ų67.449%0.48734%0.343SS..Hα-helixtrans-51.1-41.7179-80.7174.3169172.60113.8E136 R143E136-K139 WeakPolarHBondContact O-CG 3.17Å; E136-K139 WeakPolarHBondContact OE1-CE 3.19Å; E136-K139 IonicContact OE1-NZ 2.72Å; E136-K139 PolarHBondContact OE1-NZ 3.16Å; E136-K139 WeakPolarHBondContact OE2-CE 3.14Å; E136-K139 IonicContact OE2-NZ 3.68Å; E136-K139 PolarHBondContact OE2-NZ 3.09Å; K139-R143 VanDerWaalsContact O-CG 3.29Å; K139-R143 WeakPolarHBondContact O-CG 3.16Å; K139-R143 PolarHBondContact O-N 2.93Å; K139-R143 VanDerWaalsContact O-N 3.1Å
140Y91.6Very high91.8Very high175 Ų17567.9 Ų67.969%0.68635%0.346SS*.Hα-helixtrans-62.7-55.1176179.4-96.4000111.5Q138 L142 R143 S144Q138-Y140 VanDerWaalsContact C-N 3.28Å; Q138-Y140 PolarHBondContact O-N 3.49Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 3.37Å; Y140-R143 WeakPolarHBondContact O-CB 3.37Å; Y140-R143 PolarHBondContact O-N 3.2Å; Y140-R143 VanDerWaalsContact O-N 3.08Å; Y140-S144 PolarHBondContact O-N 3.36Å; Y140-S144 PolarHBondContact O-OG 3.1Å
141A93.3Very high91.6Very high22 Ų2264.4 Ų64.418%0.18232%0.324CS..Hα-helixtrans-57.5-43179.400000112L132 Q138 R143 S144 F145L132-A141 HydrophobicContact CD1-CB 4.14Å; Q138-A141 PolarHBondContact O-N 3.28Å; Q138-A141 VanDerWaalsContact O-N 3.15Å; A141-R143 VanDerWaalsContact C-N 3.35Å; A141-R143 PolarHBondContact O-N 3Å; A141-S144 PolarHBondContact O-N 3.48Å; A141-F145 WeakPolarHBondContact O-CD2 3.37Å; A141-F145 PolarHBondContact O-N 3.34Å
142L93.9Very high91.3Very high31 Ų3158.5 Ų58.516%0.16230%0.296CS..Hα-helixtrans-55.4-47.9174.8175.861.8000111.6I129 L132 Q138 Y140 F145 Q146I129-L142 HydrophobicContact CB-CD1 4.42Å; I129-L142 HydrophobicContact CG2-CD1 3.89Å; L132-L142 HydrophobicContact CB-CB 4.16Å; L132-L142 HydrophobicContact CB-CD1 4.05Å; Q138-L142 WeakPolarHBondContact O-CB 3.24Å; Q138-L142 PolarHBondContact O-N 3.49Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 3.37Å; L142-F145 PolarHBondContact O-N 3.16Å; L142-Q146 HydrophobicContact CD1-CG 4.46Å; L142-Q146 VanDerWaalsContact O-CG 3.31Å; L142-Q146 WeakPolarHBondContact O-CG 3.5Å; L142-Q146 PolarHBondContact O-N 3.19Å
143R93.1Very high91.1Very high60 Ų6059 Ų5923%0.22630%0.299CS..Hα-helixtrans-64.2-41.5177.2-71.1-74.8-176.2-128.39112D100 K139 Y140 A141 Q146 M147D100-R143 IonicContact OD1-CZ 3.92Å; D100-R143 IonicContact OD1-NH1 2.73Å; D100-R143 PolarHBondContact OD1-NH1 3.48Å; D100-R143 IonicContact OD1-NH2 2.66Å; D100-R143 PolarHBondContact OD1-NH2 2.9Å; D100-R143 VanDerWaalsContact OD1-NH2 3.14Å; D100-R143 IonicContact OD2-CZ 3.69Å; D100-R143 IonicContact OD2-NH1 2.82Å; D100-R143 IonicContact OD2-NH2 3.73Å; D100-R143 PolarHBondContact OD2-NH2 3.03Å; K139-R143 VanDerWaalsContact O-CG 3.29Å; K139-R143 WeakPolarHBondContact O-CG 3.16Å; K139-R143 PolarHBondContact O-N 2.93Å; K139-R143 VanDerWaalsContact O-N 3.1Å; Y140-R143 WeakPolarHBondContact O-CB 3.37Å; Y140-R143 PolarHBondContact O-N 3.2Å; Y140-R143 VanDerWaalsContact O-N 3.08Å; A141-R143 VanDerWaalsContact C-N 3.35Å; A141-R143 PolarHBondContact O-N 3Å; R143-Q146 PolarHBondContact O-N 2.99Å; R143-M147 PolarHBondContact O-N 2.91Å
144S93.1Very high90.9Very high18 Ų1860.1 Ų60.113%0.12630%0.303CS..Hα-helixtrans-61.9-45.1175.3-52.70000111.7Y140 A141 Q146 M147 A148 I192Y140-S144 PolarHBondContact O-N 3.36Å; Y140-S144 PolarHBondContact O-OG 3.1Å; A141-S144 PolarHBondContact O-N 3.48Å; S144-Q146 PolarHBondContact O-N 3.38Å; S144-M147 PolarHBondContact O-N 3.27Å; S144-A148 PolarHBondContact O-N 3.14Å; S144-I192 VanDerWaalsContact C-CD1 3.4Å; S144-I192 WeakPolarHBondContact O-CD1 3.44Å
145F94.3Very high90.8Very high14 Ų1457.9 Ų57.96%0.06127%0.272CS..Hα-helixtrans-65.3-36.6176.1-83-70000112.7L125 K128 I129 L132 A141 L142 R149 I192 F195L125-F145 HydrophobicContact CD2-CD1 3.66Å; L125-F145 HydrophobicContact CD2-CE1 4.03Å; K128-F145 HydrophobicContact CB-CD1 4.25Å; K128-F145 HydrophobicContact CB-CE1 4.37Å; K128-F145 HydrophobicContact CG-CD1 3.94Å; K128-F145 HydrophobicContact CG-CD2 3.93Å; K128-F145 HydrophobicContact CG-CE1 3.8Å; K128-F145 HydrophobicContact CG-CE2 3.79Å; K128-F145 HydrophobicContact CG-CG 4.03Å; K128-F145 HydrophobicContact CG-CZ 3.74Å; I129-F145 HydrophobicContact CG1-CB 3.83Å; L132-F145 HydrophobicContact CD1-CD2 3.48Å; L132-F145 VanDerWaalsContact CD1-CD2 3.48Å; L132-F145 HydrophobicContact CD1-CE2 4.02Å; L132-F145 HydrophobicContact CD1-CG 4.36Å; A141-F145 WeakPolarHBondContact O-CD2 3.37Å; A141-F145 PolarHBondContact O-N 3.34Å; L142-F145 PolarHBondContact O-N 3.16Å; F145-R149 PolarHBondContact O-N 2.88Å; F145-R149 VanDerWaalsContact O-N 3.09Å; F145-I192 HydrophobicContact CD1-CD1 4.33Å; F145-I192 HydrophobicContact CD1-CG1 4.13Å; F145-I192 HydrophobicContact CD1-CG2 4.41Å; F145-I192 HydrophobicContact CE1-CB 4.36Å; F145-I192 HydrophobicContact CE1-CG1 3.88Å; F145-I192 HydrophobicContact CE1-CG2 4.14Å; F145-I192 HydrophobicContact CZ-CG1 4.08Å; F145-F195 HydrophobicContact CE1-CB 4.34Å; F145-F195 AromaticContact CE1-CD1 3.51Å; F145-F195 HydrophobicContact CE1-CD1 3.51Å; F145-F195 AromaticContact CE1-CE1 3.96Å; F145-F195 HydrophobicContact CE1-CE1 3.96Å; F145-F195 AromaticContact CE1-CG 3.97Å; F145-F195 HydrophobicContact CE1-CG 3.97Å; F145-F195 HydrophobicContact CZ-CB 4.1Å; F145-F195 AromaticContact CZ-CD1 3.97Å; F145-F195 HydrophobicContact CZ-CD1 3.97Å; F145-F195 HydrophobicContact CZ-CD2 4.49Å; F145-F195 AromaticContact CZ-CG 3.92Å; F145-F195 HydrophobicContact CZ-CG 3.92Å
146Q94.4Very high90.7Very high13 Ų1353.8 Ų53.86%0.06126%0.258CS..Hα-helixtrans-63.1-44.9171.8-74.4176.3-58.200112.1Y103 I129 L142 R143 S144 R149 V150Y103-Q146 HydrophobicContact CD1-CB 3.6Å; Y103-Q146 HydrophobicContact CD2-CB 4.2Å; Y103-Q146 HydrophobicContact CE1-CB 4.02Å; Y103-Q146 HydrophobicContact CG-CB 3.71Å; Y103-Q146 HydrophobicContact CG-CG 4.37Å; I129-Q146 HydrophobicContact CD1-CG 4.15Å; I129-Q146 HydrophobicContact CG1-CG 4.27Å; I129-Q146 HydrophobicContact CG2-CG 4.27Å; L142-Q146 HydrophobicContact CD1-CG 4.46Å; L142-Q146 VanDerWaalsContact O-CG 3.31Å; L142-Q146 WeakPolarHBondContact O-CG 3.5Å; L142-Q146 PolarHBondContact O-N 3.19Å; R143-Q146 PolarHBondContact O-N 2.99Å; S144-Q146 PolarHBondContact O-N 3.38Å; Q146-R149 WeakPolarHBondContact O-CB 3.42Å; Q146-R149 PolarHBondContact O-N 3.38Å; Q146-V150 PolarHBondContact O-N 3.32Å
147M94.8Very high90.7Very high59 Ų5947.7 Ų47.729%0.29123%0.231SC..Hα-helixtrans-63.7-43.1177-176.557.578.800111.9F102 Y103 R143 S144 R149 V150 I151F102-M147 HydrophobicContact CE1-CE 4.22Å; Y103-M147 HydrophobicContact CE1-CB 3.96Å; Y103-M147 HydrophobicContact CE1-CE 3.88Å; Y103-M147 HydrophobicContact CE1-SD 4.32Å; R143-M147 PolarHBondContact O-N 2.91Å; S144-M147 PolarHBondContact O-N 3.27Å; M147-R149 VanDerWaalsContact C-N 3.31Å; M147-R149 PolarHBondContact O-N 2.97Å; M147-V150 WeakPolarHBondContact O-CB 3.49Å; M147-V150 PolarHBondContact O-N 3.04Å; M147-V150 VanDerWaalsContact O-N 3.16Å; M147-I151 HydrophobicContact CG-CD1 3.99Å; M147-I151 WeakPolarHBondContact O-CG1 3.35Å; M147-I151 PolarHBondContact O-N 3.06Å; M147-I151 HydrophobicContact SD-CD1 4.45Å
148A93.4Very high90.3Very high0 Ų045.9 Ų45.90%022%0.218CC..Hα-helixtrans-58.6-42.517400000112.2L125 S144 V150 I151 F152 L188 I192L125-A148 HydrophobicContact CD1-CB 4.35Å; L125-A148 HydrophobicContact CD2-CB 4.38Å; S144-A148 PolarHBondContact O-N 3.14Å; A148-V150 VanDerWaalsContact C-N 3.31Å; A148-V150 PolarHBondContact O-N 3.16Å; A148-I151 PolarHBondContact O-N 3.36Å; A148-I151 VanDerWaalsContact O-N 3.14Å; A148-F152 HydrophobicContact CB-CD2 4.38Å; A148-F152 HydrophobicContact CB-CE2 4.43Å; A148-F152 WeakPolarHBondContact O-CD2 3.48Å; A148-F152 PolarHBondContact O-N 3.11Å; A148-L188 HydrophobicContact CB-CD2 3.46Å; A148-L188 VanDerWaalsContact CB-CD2 3.46Å; A148-I192 HydrophobicContact CB-CD1 3.68Å; A148-I192 HydrophobicContact CB-CG2 3.8Å
149R92.7Very high89.8Confident22 Ų2242.3 Ų42.38%0.08320%0.201CC..Hα-helixtrans-57.6-43.2175.7-173.9176.270.11527.8111.8Y103 G107 L125 S126 I129 F145 Q146 M147 F152 N153Y103-R149 PolarHBondContact O-NH2 3.45Å; G107-R149 WeakPolarHBondContact O-CD 3.3Å; G107-R149 WeakPolarHBondContact O-CG 3.47Å; G107-R149 PolarHBondContact O-NE 3.46Å; G107-R149 PolarHBondContact O-NH1 3.29Å; L125-R149 HydrophobicContact CB-CB 4.49Å; L125-R149 HydrophobicContact CD1-CB 4.49Å; S126-R149 WeakPolarHBondContact OG-CD 3.49Å; I129-R149 HydrophobicContact CD1-CB 4.08Å; F145-R149 PolarHBondContact O-N 2.88Å; F145-R149 VanDerWaalsContact O-N 3.09Å; Q146-R149 WeakPolarHBondContact O-CB 3.42Å; Q146-R149 PolarHBondContact O-N 3.38Å; M147-R149 VanDerWaalsContact C-N 3.31Å; M147-R149 PolarHBondContact O-N 2.97Å; R149-F152 PolarHBondContact O-N 2.93Å; R149-N153 WeakPolarHBondContact O-CB 3.41Å; R149-N153 PolarHBondContact O-N 2.99Å; R149-N153 PolarHBondContact O-ND2 3.25Å
150V92.8Very high89.1Confident15 Ų1538.4 Ų38.49%0.09119%0.186CC..Hα-helixtrans-60.7-46.6174.5173.60000111.4F102 Y103 F106 Q146 M147 A148 N153 R154F102-V150 HydrophobicContact CE1-CG1 4.27Å; F102-V150 HydrophobicContact CE1-CG2 4.18Å; F102-V150 HydrophobicContact CZ-CG1 4.12Å; Y103-V150 HydrophobicContact CD1-CG2 4.04Å; F106-V150 HydrophobicContact CB-CB 4.49Å; F106-V150 HydrophobicContact CB-CG1 3.81Å; F106-V150 HydrophobicContact CB-CG2 4Å; Q146-V150 PolarHBondContact O-N 3.32Å; M147-V150 WeakPolarHBondContact O-CB 3.49Å; M147-V150 PolarHBondContact O-N 3.04Å; M147-V150 VanDerWaalsContact O-N 3.16Å; A148-V150 VanDerWaalsContact C-N 3.31Å; A148-V150 PolarHBondContact O-N 3.16Å; V150-N153 PolarHBondContact O-N 2.9Å; V150-R154 PolarHBondContact O-N 3.12Å; V150-R154 VanDerWaalsContact O-N 3.12Å
151I90.9Very high88.1Confident13 Ų1335.2 Ų35.27%0.06718%0.177CC..Hα-helixtrans-62.1-46179.5-66.5166.6000111.2M147 A148 N153 R154 D155 V159 G187 L188M147-I151 HydrophobicContact CG-CD1 3.99Å; M147-I151 WeakPolarHBondContact O-CG1 3.35Å; M147-I151 PolarHBondContact O-N 3.06Å; M147-I151 HydrophobicContact SD-CD1 4.45Å; A148-I151 PolarHBondContact O-N 3.36Å; A148-I151 VanDerWaalsContact O-N 3.14Å; I151-N153 PolarHBondContact O-N 3.34Å; I151-R154 PolarHBondContact O-N 3.24Å; I151-D155 WeakPolarHBondContact O-CB 3.18Å; I151-D155 PolarHBondContact O-N 3.22Å; I151-V159 HydrophobicContact CG2-CB 4.3Å; I151-V159 HydrophobicContact CG2-CG1 4.29Å; I151-V159 HydrophobicContact CG2-CG2 3.88Å; I151-G187 VanDerWaalsContact CD1-C 3.5Å; I151-G187 WeakPolarHBondContact CD1-O 3.46Å; I151-L188 HydrophobicContact CB-CD2 4.43Å; I151-L188 HydrophobicContact CD1-CD2 4Å; I151-L188 HydrophobicContact CD1-CG 4.09Å; I151-L188 HydrophobicContact CG2-CD1 4.42Å; I151-L188 HydrophobicContact CG2-CD2 4.43Å; I151-L188 HydrophobicContact CG2-CG 4.37Å
152F88.6Confident86.6Confident2 Ų239.3 Ų39.31%0.00919%0.188CC..Hα-helixtrans-69.8-28.4178.7-77.7-70.3000113.8V121 L125 A148 R149 G156 V159 L160 L188 L196V121-F152 HydrophobicContact CG1-CB 4.27Å; V121-F152 HydrophobicContact CG1-CD1 3.81Å; V121-F152 HydrophobicContact CG1-CD2 3.75Å; V121-F152 HydrophobicContact CG1-CE1 4.02Å; V121-F152 HydrophobicContact CG1-CE2 3.99Å; V121-F152 HydrophobicContact CG1-CG 3.67Å; V121-F152 HydrophobicContact CG1-CZ 4.12Å; L125-F152 HydrophobicContact CD1-CB 4.47Å; L125-F152 HydrophobicContact CD1-CD2 3.49Å; L125-F152 VanDerWaalsContact CD1-CD2 3.49Å; L125-F152 HydrophobicContact CD1-CE2 4.11Å; L125-F152 HydrophobicContact CD1-CG 4.27Å; A148-F152 HydrophobicContact CB-CD2 4.38Å; A148-F152 HydrophobicContact CB-CE2 4.43Å; A148-F152 WeakPolarHBondContact O-CD2 3.48Å; A148-F152 PolarHBondContact O-N 3.11Å; R149-F152 PolarHBondContact O-N 2.93Å; F152-G156 WeakPolarHBondContact CD1-O 3.43Å; F152-G156 WeakPolarHBondContact O-CA 3.45Å; F152-G156 PolarHBondContact O-N 3.39Å; F152-G156 VanDerWaalsContact O-N 3.12Å; F152-V159 HydrophobicContact CD1-CG1 3.85Å; F152-V159 HydrophobicContact CE1-CG1 3.46Å; F152-V159 VanDerWaalsContact CE1-CG1 3.46Å; F152-V159 HydrophobicContact CZ-CG1 3.98Å; F152-L160 HydrophobicContact CE1-CD1 3.65Å; F152-L160 HydrophobicContact CE1-CD2 4.42Å; F152-L160 HydrophobicContact CE1-CG 3.76Å; F152-L160 HydrophobicContact CZ-CD1 3.87Å; F152-L160 HydrophobicContact CZ-CD2 4Å; F152-L160 HydrophobicContact CZ-CG 3.86Å; F152-L188 HydrophobicContact CE2-CD1 4.3Å; F152-L188 HydrophobicContact CE2-CD2 4Å; F152-L188 HydrophobicContact CZ-CD1 4.21Å; F152-L196 HydrophobicContact CE2-CD1 3.67Å; F152-L196 HydrophobicContact CZ-CD1 3.75Å
153N88.1Confident84.7Confident22 Ų2243.5 Ų43.512%0.11821%0.206CC..Hα-helixtrans-69.6-34.2171.5-70.9-24.5000112.5F106 G107 H108 C122 R149 V150 I151F106-N153 PolarHBondContact O-ND2 3Å; F106-N153 VanDerWaalsContact O-ND2 3.1Å; G107-N153 PolarHBondContact O-ND2 3.38Å; H108-N153 VanDerWaalsContact C-ND2 3.34Å; H108-N153 PolarHBondContact N-ND2 3.12Å; H108-N153 PolarHBondContact O-ND2 2.84Å; C122-N153 PolarHBondContact SG-OD1 3.09Å; R149-N153 WeakPolarHBondContact O-CB 3.41Å; R149-N153 PolarHBondContact O-N 2.99Å; R149-N153 PolarHBondContact O-ND2 3.25Å; V150-N153 PolarHBondContact O-N 2.9Å; I151-N153 PolarHBondContact O-N 3.34Å
154R86.7Confident82.7Confident185 Ų18542.6 Ų42.670%0.69821%0.209SC*.Hα-helixtrans-86.3-48.6-176.6-166.1-165.470.7-168.1-4.2113V150 I151V150-R154 PolarHBondContact O-N 3.12Å; V150-R154 VanDerWaalsContact O-N 3.12Å; I151-R154 PolarHBondContact O-N 3.24Å
155D84.6Confident80.7Confident32 Ų3249.8 Ų49.817%0.17124%0.238CC..Hα-helixtrans-98.8-8.3-173.1-63.91.9000112.6I151 S158 V159 R162I151-D155 WeakPolarHBondContact O-CB 3.18Å; I151-D155 PolarHBondContact O-N 3.22Å; D155-S158 WeakPolarHBondContact O-CB 3.49Å; D155-S158 PolarHBondContact O-OG 2.81Å; D155-V159 HydrophobicContact CB-CB 4.22Å; D155-R162 IonicContact OD2-CZ 3.31Å; D155-R162 IonicContact OD2-NH1 2.9Å; D155-R162 IonicContact OD2-NH2 3.45Å; D155-R162 PolarHBondContact OD2-NH2 3.14Å
156G85.6Confident78.6Confident19 Ų1953 Ų5320%0.19626%0.256CS..G310 helixtrans61-157.8-168.400000112F152 S158 V159F152-G156 WeakPolarHBondContact CD1-O 3.43Å; F152-G156 WeakPolarHBondContact O-CA 3.45Å; F152-G156 PolarHBondContact O-N 3.39Å; F152-G156 VanDerWaalsContact O-N 3.12Å; G156-S158 PolarHBondContact O-N 3.27Å; G156-V159 WeakPolarHBondContact O-CG1 3.31Å
157C83.8Confident76.6Confident9 Ų957.9 Ų57.96%0.06129%0.287CS..G310 helixtrans-75.1-4.6173.4-62.70000113.6S118 V159 L160 L205S118-C157 VanDerWaalsContact CA-SG 3.57Å; C157-V159 PolarHBondContact O-N 3.1Å; C157-V159 VanDerWaalsContact O-N 3.14Å; C157-L160 WeakPolarHBondContact O-CB 3.38Å; C157-L160 PolarHBondContact O-N 2.96Å; C157-L205 HydrophobicContact CB-CD1 3.62Å; C157-L205 HydrophobicContact CB-CD2 4.49Å
158S79.8Confident74.7Confident64 Ų6460 Ų6045%0.44830%0.296SS..G310 helixtrans-59.9-26.5179.277.10000112.8D155 G156 L160 Q161 R162D155-S158 WeakPolarHBondContact O-CB 3.49Å; D155-S158 PolarHBondContact O-OG 2.81Å; G156-S158 PolarHBondContact O-N 3.27Å; S158-L160 VanDerWaalsContact C-N 3.27Å; S158-L160 PolarHBondContact O-N 3.28Å; S158-Q161 PolarHBondContact O-N 2.79Å; S158-R162 PolarHBondContact O-N 3.27Å
159V79.3Confident72.9Confident1 Ų170.2 Ų70.21%0.00634%0.341CS..G310 helixtrans-55.2-40.6171.6660000112.1I151 F152 D155 G156 C157 R162 N185 L188I151-V159 HydrophobicContact CG2-CB 4.3Å; I151-V159 HydrophobicContact CG2-CG1 4.29Å; I151-V159 HydrophobicContact CG2-CG2 3.88Å; F152-V159 HydrophobicContact CD1-CG1 3.85Å; F152-V159 HydrophobicContact CE1-CG1 3.46Å; F152-V159 VanDerWaalsContact CE1-CG1 3.46Å; F152-V159 HydrophobicContact CZ-CG1 3.98Å; D155-V159 HydrophobicContact CB-CB 4.22Å; G156-V159 WeakPolarHBondContact O-CG1 3.31Å; C157-V159 PolarHBondContact O-N 3.1Å; C157-V159 VanDerWaalsContact O-N 3.14Å; V159-R162 VanDerWaalsContact O-CB 3.25Å; V159-R162 WeakPolarHBondContact O-CB 3.47Å; V159-R162 PolarHBondContact O-N 3.2Å; V159-N185 HydrophobicContact CG2-CB 3.97Å; V159-N185 VanDerWaalsContact CG2-OD1 3.31Å; V159-N185 WeakPolarHBondContact CG2-OD1 3.47Å; V159-N185 VanDerWaalsContact O-CG 3.32Å; V159-N185 PolarHBondContact O-ND2 3.45Å; V159-N185 PolarHBondContact O-OD1 3.36Å; V159-L188 HydrophobicContact CG1-CD1 4.03Å; V159-L188 HydrophobicContact CG2-CD1 3.59Å
160L77.2Confident70.9Confident30 Ų3078.3 Ų78.316%0.15737%0.373CS..THydrogen-bonded Turntrans-71.4-32.9179.9-66.5167.9000112.2F152 C157 S158 R162 I193 M202 L205F152-L160 HydrophobicContact CE1-CD1 3.65Å; F152-L160 HydrophobicContact CE1-CD2 4.42Å; F152-L160 HydrophobicContact CE1-CG 3.76Å; F152-L160 HydrophobicContact CZ-CD1 3.87Å; F152-L160 HydrophobicContact CZ-CD2 4Å; F152-L160 HydrophobicContact CZ-CG 3.86Å; C157-L160 WeakPolarHBondContact O-CB 3.38Å; C157-L160 PolarHBondContact O-N 2.96Å; S158-L160 VanDerWaalsContact C-N 3.27Å; S158-L160 PolarHBondContact O-N 3.28Å; L160-R162 PolarHBondContact O-N 3.31Å; L160-I193 HydrophobicContact CD2-CD1 3.6Å; L160-M202 HydrophobicContact CD1-CE 3.88Å; L160-M202 HydrophobicContact CD1-CG 4.15Å; L160-M202 HydrophobicContact CD1-SD 3.78Å; L160-M202 HydrophobicContact CD2-CE 3.69Å; L160-M202 HydrophobicContact CD2-SD 4.16Å; L160-M202 HydrophobicContact CG-CE 4.44Å; L160-L205 HydrophobicContact CB-CD2 4.09Å; L160-L205 HydrophobicContact CD1-CD2 3.91Å
161Q69.1Low68.9Low108 Ų10882.6 Ų82.651%0.50540%0.401SS..THydrogen-bonded Turntrans-82.2-0.3176.9-67.1178.4-14.200112.8S158 H163 L205S158-Q161 PolarHBondContact O-N 2.79Å; Q161-H163 PolarHBondContact O-N 3.14Å; Q161-H163 PolarHBondContact O-ND1 3.17Å; Q161-L205 PolarHBondContact NE2-OXT 3.4Å; Q161-L205 VanDerWaalsContact NE2-OXT 3.1Å
162R62.5Low67.3Low108 Ų10887.8 Ų87.841%0.40843%0.428SS..  trans-79.762.1-173.8-160.3-172-65.2143.6-9112.4D155 S158 V159 L160 S164 N185D155-R162 IonicContact OD2-CZ 3.31Å; D155-R162 IonicContact OD2-NH1 2.9Å; D155-R162 IonicContact OD2-NH2 3.45Å; D155-R162 PolarHBondContact OD2-NH2 3.14Å; S158-R162 PolarHBondContact O-N 3.27Å; V159-R162 VanDerWaalsContact O-CB 3.25Å; V159-R162 WeakPolarHBondContact O-CB 3.47Å; V159-R162 PolarHBondContact O-N 3.2Å; L160-R162 PolarHBondContact O-N 3.31Å; R162-S164 PolarHBondContact O-N 3.04Å; R162-N185 PolarHBondContact NH1-OD1 3.2Å
163H53.8Low65.6Low119 Ų11996.3 Ų96.355%0.55147%0.468SS*.  trans-51.1120.2168.852.9-82.9000109.9Q161 K165Q161-H163 PolarHBondContact O-N 3.14Å; Q161-H163 PolarHBondContact O-ND1 3.17Å; H163-K165 PolarHBondContact O-N 2.64Å
164S52Low64.1Low42 Ų42104.8 Ų104.829%0.29451%0.507SS..  trans-66101179.51670000110R162 D166 K183R162-S164 PolarHBondContact O-N 3.04Å; S164-D166 VanDerWaalsContact C-N 3.28Å; S164-D166 PolarHBondContact O-N 3.43Å; S164-K183 WeakPolarHBondContact OG-CD 3.18Å
165K51.1Low62.4Low168 Ų16899 Ų9973%0.7351%0.505SS*.  trans-76.287158.8-70.3-170.1178.6-176.70109.3H163 T167H163-K165 PolarHBondContact O-N 2.64Å; K165-T167 PolarHBondContact O-N 2.73Å
166D49.1Very low60.4Low81 Ų81103 Ų10343%0.43354%0.535SS..  trans22.968.7144.5-6412.9000116.2S164 H168S164-D166 VanDerWaalsContact C-N 3.28Å; S164-D166 PolarHBondContact O-N 3.43Å; D166-H168 PolarHBondContact O-N 3.23Å; D166-H168 IonicContact OD1-CD2 2.68Å; D166-H168 IonicContact OD1-NE2 2.71Å; D166-H168 IonicContact OD2-CD2 3.79Å; D166-H168 IonicContact OD2-NE2 3.64Å
167T52.7Low58.3Low116 Ų116109.4 Ų109.471%0.71257%0.571SS**  trans-76.360.9152.93.90000108.4K165K165-T167 PolarHBondContact O-N 2.73Å
168H54.9Low56.6Low105 Ų105112.5 Ų112.549%0.48659%0.593SS.*  trans-92.9133.3172.9-69-47.1000109.1D166 Y170D166-H168 PolarHBondContact O-N 3.23Å; D166-H168 IonicContact OD1-CD2 2.68Å; D166-H168 IonicContact OD1-NE2 2.71Å; D166-H168 IonicContact OD2-CD2 3.79Å; D166-H168 IonicContact OD2-NE2 3.64Å; H168-Y170 WeakPolarHBondContact CB-O 3.4Å; H168-Y170 PolarHBondContact O-N 3.06Å
169F56Low55.3Low213 Ų213117.3 Ų117.393%0.93461%0.612SS**SBendtrans-80.614172.6-72-87.8000112.7
170Y50Low54Low193 Ų193123 Ų12376%0.75764%0.643SS**SBendtrans-151.4148.8-179.2-157.1-101000110H168H168-Y170 WeakPolarHBondContact CB-O 3.4Å; H168-Y170 PolarHBondContact O-N 3.06Å
171P52.1Low52.8Low104 Ų104128.7 Ų128.768%0.67567%0.673SS**PPolyproline II helixtrans-60.7142.1175.7-24.135.1000113.1
172L57.4Low52.5Low123 Ų123129.1 Ų129.164%0.64468%0.675SS**PPolyproline II helixtrans-78.2119.5170.8-178.869000109.4
173E52.4Low52.6Low181 Ų181129.3 Ų129.385%0.84668%0.679SS**PPolyproline II helixtrans-75.5141.5161.6-76.1-156153.500110.1G175E173-G175 VanDerWaalsContact C-N 3.27Å; E173-G175 PolarHBondContact O-N 3.37Å
174E55.6Low52.9Low200 Ų200127.9 Ų127.994%0.93568%0.681SS**  trans-82.161.9-158.8-158162.5-165.200113.5S176E174-S176 PolarHBondContact O-N 3.38Å
175G50.8Low53.6Low64 Ų64127 Ų12766%0.6667%0.673SS**  trans-91.590.3-176.700000114.6E173E173-G175 VanDerWaalsContact C-N 3.27Å; E173-G175 PolarHBondContact O-N 3.37Å
176S44.1Very low54.3Low114 Ų114124.6 Ų124.680%0.79767%0.674SS**  trans32.498.6160.662.20000117.7E174 S178E174-S176 PolarHBondContact O-N 3.38Å; S176-S178 PolarHBondContact O-N 3.38Å
177T41.2Very low55.4Low155 Ų155123 Ų12395%0.95168%0.677SS**  trans-63.591.5178.438.90000113.9
178S48.3Very low57Low74 Ų74118.1 Ų118.152%0.51765%0.646SS.*  trans-68.5126.9164.2173.20000110.5S176 N180 D181S176-S178 PolarHBondContact O-N 3.38Å; S178-N180 PolarHBondContact O-N 3.16Å; S178-N180 PolarHBondContact OG-N 3.13Å; S178-D181 PolarHBondContact O-N 2.87Å; S178-D181 VanDerWaalsContact O-N 3.16Å
179L52.5Low58.5Low165 Ų165114.4 Ų114.486%0.86463%0.632SS**THydrogen-bonded Turntrans-64.15.1177-134172.2000113.9
180N50.6Low60Low121 Ų121110 Ų11065%0.64761%0.612SS**THydrogen-bonded Turntrans-110.9-9.7178.4-104.2-68.7000114.6S178 E182 K190S178-N180 PolarHBondContact O-N 3.16Å; S178-N180 PolarHBondContact OG-N 3.13Å; N180-E182 VanDerWaalsContact C-N 3.29Å; N180-K190 PolarHBondContact O-NZ 2.98Å
181D52.8Low61.9Low149 Ų149105.9 Ų105.980%0.79760%0.603SS**  trans-95.821.8-178.3-144.517.4000112.6S178 K183S178-D181 PolarHBondContact O-N 2.87Å; S178-D181 VanDerWaalsContact O-N 3.16Å; D181-K183 PolarHBondContact O-N 2.83Å
182E63.3Low63.7Low117 Ų117101 Ų10155%0.54757%0.571SS.*PPolyproline II helixtrans-68.4122.3173.9-173.6171.3-135.900110.4N180 P184N180-E182 VanDerWaalsContact C-N 3.29Å; E182-P184 VanDerWaalsContact O-N 3.16Å
183K63.3Low65.2Low112 Ų11297.4 Ų97.449%0.48755%0.553SS.*PPolyproline II helixtrans-55.5116.9-179.7-169.2-179.4-169.8172.80109.9S164 D181 N185S164-K183 WeakPolarHBondContact OG-CD 3.18Å; D181-K183 PolarHBondContact O-N 2.83Å; K183-N185 PolarHBondContact O-N 2.86Å
184P60.9Low66.9Low89 Ų8995.4 Ų95.458%0.57854%0.543SS*.PPolyproline II helixtrans-65.8135.1-169.225.4-34.5000111.5E182 P186E182-P184 VanDerWaalsContact O-N 3.16Å; P184-P186 WeakPolarHBondContact O-CD 3.18Å
185N66Low68.5Low24 Ų2487.1 Ų87.113%0.12850%0.504CS..PPolyproline II helixtrans-59.7121.6173.5-94.3-75.9000110.2V159 R162 K183 G187 L188V159-N185 HydrophobicContact CG2-CB 3.97Å; V159-N185 VanDerWaalsContact CG2-OD1 3.31Å; V159-N185 WeakPolarHBondContact CG2-OD1 3.47Å; V159-N185 VanDerWaalsContact O-CG 3.32Å; V159-N185 PolarHBondContact O-ND2 3.45Å; V159-N185 PolarHBondContact O-OD1 3.36Å; R162-N185 PolarHBondContact NH1-OD1 3.2Å; K183-N185 PolarHBondContact O-N 2.86Å; N185-G187 PolarHBondContact O-N 3.35Å; N185-G187 VanDerWaalsContact O-N 3.14Å; N185-L188 HydrophobicContact CB-CB 4.27Å; N185-L188 HydrophobicContact CB-CD1 4.11Å; N185-L188 HydrophobicContact CB-CG 4.46Å; N185-L188 PolarHBondContact O-N 2.76Å
186P65.9Low70.3Confident117 Ų11784.1 Ų84.176%0.7647%0.473SS*.THydrogen-bonded Turntrans-55.4121.2-178.4-28.236.2000112.1P184P184-P186 WeakPolarHBondContact O-CD 3.18Å
187G72.8Confident72.2Confident48 Ų4883 Ų8350%0.49546%0.457SS..THydrogen-bonded Turntrans91.3-4.4-178.700000116.3I151 N185I151-G187 VanDerWaalsContact CD1-C 3.5Å; I151-G187 WeakPolarHBondContact CD1-O 3.46Å; N185-G187 PolarHBondContact O-N 3.35Å; N185-G187 VanDerWaalsContact O-N 3.14Å
188L86.1Confident74.4Confident13 Ų1382.6 Ų82.67%0.06845%0.445CS..  trans-106.8118.3170.1-66.9-179.7000110.7A148 I151 F152 V159 N185 I193A148-L188 HydrophobicContact CB-CD2 3.46Å; A148-L188 VanDerWaalsContact CB-CD2 3.46Å; I151-L188 HydrophobicContact CB-CD2 4.43Å; I151-L188 HydrophobicContact CD1-CD2 4Å; I151-L188 HydrophobicContact CD1-CG 4.09Å; I151-L188 HydrophobicContact CG2-CD1 4.42Å; I151-L188 HydrophobicContact CG2-CD2 4.43Å; I151-L188 HydrophobicContact CG2-CG 4.37Å; F152-L188 HydrophobicContact CE2-CD1 4.3Å; F152-L188 HydrophobicContact CE2-CD2 4Å; F152-L188 HydrophobicContact CZ-CD1 4.21Å; V159-L188 HydrophobicContact CG1-CD1 4.03Å; V159-L188 HydrophobicContact CG2-CD1 3.59Å; N185-L188 HydrophobicContact CB-CB 4.27Å; N185-L188 HydrophobicContact CB-CD1 4.11Å; N185-L188 HydrophobicContact CB-CG 4.46Å; N185-L188 PolarHBondContact O-N 2.76Å; L188-I193 HydrophobicContact CB-CD1 4.33Å; L188-I193 HydrophobicContact CD1-CD1 4.17Å
189S87.4Confident75.9Confident26 Ų2683.4 Ų83.418%0.18244%0.44CS..  trans-79.9153174.579.20000111.9D191 I192 I193S189-D191 PolarHBondContact O-N 3.08Å; S189-D191 VanDerWaalsContact O-N 3.16Å; S189-D191 PolarHBondContact OG-OD2 3.2Å; S189-I192 PolarHBondContact O-N 3.25Å; S189-I193 PolarHBondContact O-N 2.9Å
190K87.4Confident76.6Confident120 Ų12079.4 Ų79.452%0.52242%0.42SS..Hα-helixtrans-55.7-33.8179.5-67.8-162.3173-161.80112.1N180 I192 I193 H194N180-K190 PolarHBondContact O-NZ 2.98Å; K190-I192 VanDerWaalsContact C-N 3.28Å; K190-I192 PolarHBondContact O-N 2.82Å; K190-I193 PolarHBondContact O-N 3.44Å; K190-H194 PolarHBondContact O-N 2.87Å
191D88.5Confident77.2Confident107 Ų10774.5 Ų74.557%0.57239%0.394SS*.Hα-helixtrans-61.1-34.1178.5-36.6-69.1000113.2S189 F195S189-D191 PolarHBondContact O-N 3.08Å; S189-D191 VanDerWaalsContact O-N 3.16Å; S189-D191 PolarHBondContact OG-OD2 3.2Å; D191-F195 VanDerWaalsContact O-CB 3.24Å; D191-F195 WeakPolarHBondContact O-CB 3.46Å; D191-F195 PolarHBondContact O-N 2.96Å
192I90.8Very high77.7Confident1 Ų168.9 Ų68.91%0.00536%0.364CS..Hα-helixtrans-76.3-39.6-179.1-60.4179.2000110.2L125 S144 F145 A148 S189 K190 F195 L196L125-I192 HydrophobicContact CD2-CG2 4.01Å; S144-I192 VanDerWaalsContact C-CD1 3.4Å; S144-I192 WeakPolarHBondContact O-CD1 3.44Å; F145-I192 HydrophobicContact CD1-CD1 4.33Å; F145-I192 HydrophobicContact CD1-CG1 4.13Å; F145-I192 HydrophobicContact CD1-CG2 4.41Å; F145-I192 HydrophobicContact CE1-CB 4.36Å; F145-I192 HydrophobicContact CE1-CG1 3.88Å; F145-I192 HydrophobicContact CE1-CG2 4.14Å; F145-I192 HydrophobicContact CZ-CG1 4.08Å; A148-I192 HydrophobicContact CB-CD1 3.68Å; A148-I192 HydrophobicContact CB-CG2 3.8Å; S189-I192 PolarHBondContact O-N 3.25Å; K190-I192 VanDerWaalsContact C-N 3.28Å; K190-I192 PolarHBondContact O-N 2.82Å; I192-F195 PolarHBondContact O-N 3.06Å; I192-L196 HydrophobicContact CG2-CD1 4.12Å; I192-L196 HydrophobicContact CG2-CG 4.48Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 WeakPolarHBondContact O-CG 3.48Å; I192-L196 PolarHBondContact O-N 3.46Å
193I87.8Confident77.5Confident49 Ų4970.7 Ų70.725%0.25137%0.369SS..Hα-helixtrans-59.5-50.3171.6-51.8-56.7000109.3L160 L188 S189 K190 F195 L196 L197 M202L160-I193 HydrophobicContact CD2-CD1 3.6Å; L188-I193 HydrophobicContact CB-CD1 4.33Å; L188-I193 HydrophobicContact CD1-CD1 4.17Å; S189-I193 PolarHBondContact O-N 2.9Å; K190-I193 PolarHBondContact O-N 3.44Å; I193-F195 PolarHBondContact O-N 2.98Å; I193-L196 PolarHBondContact O-N 2.96Å; I193-L197 HydrophobicContact CG2-CD1 4.09Å; I193-L197 WeakPolarHBondContact O-CB 3.25Å; I193-L197 VanDerWaalsContact O-CG 3.31Å; I193-L197 WeakPolarHBondContact O-CG 3.31Å; I193-L197 PolarHBondContact O-N 2.95Å; I193-M202 HydrophobicContact CG2-CE 4.19Å
194H88.4Confident76.9Confident138 Ų13872.1 Ų72.164%0.63938%0.382SS*.Hα-helixtrans-59.9-41.8177.8-121.6-72.5000113K190 Q198K190-H194 PolarHBondContact O-N 2.87Å; H194-Q198 WeakPolarHBondContact O-CB 3.37Å; H194-Q198 PolarHBondContact O-N 2.88Å
195F90.9Very high76.6Confident27 Ų2772.4 Ų72.412%0.11838%0.379CS..Hα-helixtrans-63-49175.6169.6-99.8000111.8K128 F145 D191 I192 I193 L197 Q198 Q199K128-F195 HydrophobicContact CB-CE1 4.02Å; K128-F195 HydrophobicContact CB-CE2 4.5Å; K128-F195 HydrophobicContact CB-CZ 3.75Å; K128-F195 HydrophobicContact CD-CE2 3.81Å; K128-F195 HydrophobicContact CD-CZ 3.92Å; K128-F195 HydrophobicContact CG-CE1 4.19Å; K128-F195 HydrophobicContact CG-CE2 4.14Å; K128-F195 HydrophobicContact CG-CZ 3.84Å; F145-F195 HydrophobicContact CE1-CB 4.34Å; F145-F195 AromaticContact CE1-CD1 3.51Å; F145-F195 HydrophobicContact CE1-CD1 3.51Å; F145-F195 AromaticContact CE1-CE1 3.96Å; F145-F195 HydrophobicContact CE1-CE1 3.96Å; F145-F195 AromaticContact CE1-CG 3.97Å; F145-F195 HydrophobicContact CE1-CG 3.97Å; F145-F195 HydrophobicContact CZ-CB 4.1Å; F145-F195 AromaticContact CZ-CD1 3.97Å; F145-F195 HydrophobicContact CZ-CD1 3.97Å; F145-F195 HydrophobicContact CZ-CD2 4.49Å; F145-F195 AromaticContact CZ-CG 3.92Å; F145-F195 HydrophobicContact CZ-CG 3.92Å; D191-F195 VanDerWaalsContact O-CB 3.24Å; D191-F195 WeakPolarHBondContact O-CB 3.46Å; D191-F195 PolarHBondContact O-N 2.96Å; I192-F195 PolarHBondContact O-N 3.06Å; I193-F195 PolarHBondContact O-N 2.98Å; F195-L197 VanDerWaalsContact C-N 3.33Å; F195-L197 PolarHBondContact O-N 2.95Å; F195-Q198 PolarHBondContact O-N 3.25Å; F195-Q198 VanDerWaalsContact O-N 3.16Å; F195-Q199 HydrophobicContact CD1-CG 4.43Å; F195-Q199 HydrophobicContact CD2-CG 4.07Å; F195-Q199 HydrophobicContact CE1-CG 4.07Å; F195-Q199 HydrophobicContact CE2-CG 3.64Å; F195-Q199 HydrophobicContact CG-CG 4.44Å; F195-Q199 HydrophobicContact CZ-CG 3.65Å; F195-Q199 VanDerWaalsContact O-CG 3.3Å; F195-Q199 WeakPolarHBondContact O-CG 3.36Å; F195-Q199 PolarHBondContact O-N 3.25Å
196L88.4Confident77.1Confident0 Ų074.8 Ų74.80%039%0.391CS..Hα-helixtrans-65.8-34.6-178.9-73.6174.7000112.5V121 C124 L125 F152 I192 I193 V201 M202V121-L196 HydrophobicContact CG1-CD1 3.95Å; V121-L196 HydrophobicContact CG1-CD2 4.03Å; C124-L196 HydrophobicContact CB-CD2 4.49Å; L125-L196 HydrophobicContact CD2-CD1 4.35Å; L125-L196 HydrophobicContact CD2-CD2 4.09Å; L125-L196 HydrophobicContact CD2-CG 4.36Å; L125-L196 HydrophobicContact CG-CD2 4.25Å; F152-L196 HydrophobicContact CE2-CD1 3.67Å; F152-L196 HydrophobicContact CZ-CD1 3.75Å; I192-L196 HydrophobicContact CG2-CD1 4.12Å; I192-L196 HydrophobicContact CG2-CG 4.48Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 WeakPolarHBondContact O-CG 3.48Å; I192-L196 PolarHBondContact O-N 3.46Å; I193-L196 PolarHBondContact O-N 2.96Å; L196-V201 PolarHBondContact O-N 2.8Å; L196-M202 HydrophobicContact CB-CE 3.39Å; L196-M202 HydrophobicContact CB-CG 4.47Å; L196-M202 HydrophobicContact CD1-CE 4.19Å; L196-M202 HydrophobicContact CG-CE 4.45Å
197L84.3Confident77.7Confident91 Ų9172.6 Ų72.648%0.47637%0.372SS..Hα-helixtrans-63-47.9169.3-71.7169.4000111.5I193 F195 Q199 N200 M202I193-L197 HydrophobicContact CG2-CD1 4.09Å; I193-L197 WeakPolarHBondContact O-CB 3.25Å; I193-L197 VanDerWaalsContact O-CG 3.31Å; I193-L197 WeakPolarHBondContact O-CG 3.31Å; I193-L197 PolarHBondContact O-N 2.95Å; F195-L197 VanDerWaalsContact C-N 3.33Å; F195-L197 PolarHBondContact O-N 2.95Å; L197-Q199 VanDerWaalsContact C-N 3.3Å; L197-Q199 PolarHBondContact O-N 3.11Å; L197-N200 PolarHBondContact O-N 3.29Å; L197-M202 HydrophobicContact CD2-CB 4.23Å; L197-M202 HydrophobicContact CD2-CE 4.36Å; L197-M202 HydrophobicContact CD2-CG 4.33Å; L197-M202 HydrophobicContact CD2-SD 3.65Å; L197-M202 HydrophobicContact CG-CE 4.04Å; L197-M202 HydrophobicContact CG-SD 4Å
198Q85.9Confident77.9Confident146 Ų14673.9 Ų73.968%0.68237%0.365SS*.Hα-helixtrans-62.4-35.3179-172.2-176.316.500112.7H194 F195 N200H194-Q198 WeakPolarHBondContact O-CB 3.37Å; H194-Q198 PolarHBondContact O-N 2.88Å; F195-Q198 PolarHBondContact O-N 3.25Å; F195-Q198 VanDerWaalsContact O-N 3.16Å; Q198-N200 PolarHBondContact O-N 2.82Å; Q198-N200 PolarHBondContact O-ND2 3.12Å
199Q80.6Confident77.5Confident92 Ų9277.5 Ų77.543%0.4338%0.382SS..THydrogen-bonded Turntrans-76.84.6175.8-63.4-59.7-40.200113.4F195 L197 V201F195-Q199 HydrophobicContact CD1-CG 4.43Å; F195-Q199 HydrophobicContact CD2-CG 4.07Å; F195-Q199 HydrophobicContact CE1-CG 4.07Å; F195-Q199 HydrophobicContact CE2-CG 3.64Å; F195-Q199 HydrophobicContact CG-CG 4.44Å; F195-Q199 HydrophobicContact CZ-CG 3.65Å; F195-Q199 VanDerWaalsContact O-CG 3.3Å; F195-Q199 WeakPolarHBondContact O-CG 3.36Å; F195-Q199 PolarHBondContact O-N 3.25Å; L197-Q199 VanDerWaalsContact C-N 3.3Å; L197-Q199 PolarHBondContact O-N 3.11Å; Q199-V201 HydrophobicContact CB-CG2 3.76Å; Q199-V201 PolarHBondContact O-N 3.1Å; Q199-V201 VanDerWaalsContact O-N 3.12Å
200N66.3Low76.8Confident81 Ų8180.8 Ų80.843%0.43340%0.395SS..THydrogen-bonded Turntrans63.44.8-179.5-55.7-80000115.7L197 Q198 M202 K203L197-N200 PolarHBondContact O-N 3.29Å; Q198-N200 PolarHBondContact O-N 2.82Å; Q198-N200 PolarHBondContact O-ND2 3.12Å; N200-M202 PolarHBondContact O-N 3.12Å; N200-M202 VanDerWaalsContact O-N 3.14Å; N200-K203 HydrophobicContact CB-CD 4.04Å; N200-K203 HydrophobicContact CB-CG 4.37Å; N200-K203 WeakPolarHBondContact O-CB 3.36Å; N200-K203 PolarHBondContact O-N 3.03Å; N200-K203 WeakPolarHBondContact OD1-CE 3.14Å; N200-K203 PolarHBondContact OD1-NZ 3.08Å
201V64.3Low76.1Confident18 Ų1878.1 Ų78.111%0.10939%0.386CS..THydrogen-bonded Turntrans-68.9-17.6-170.6-161.80000112.8V121 C124 L196 Q199V121-V201 HydrophobicContact CB-CG1 4.39Å; V121-V201 HydrophobicContact CG2-CB 4.36Å; V121-V201 HydrophobicContact CG2-CG1 3.6Å; C124-V201 HydrophobicContact CB-CG2 4.09Å; L196-V201 PolarHBondContact O-N 2.8Å; Q199-V201 HydrophobicContact CB-CG2 3.76Å; Q199-V201 PolarHBondContact O-N 3.1Å; Q199-V201 VanDerWaalsContact O-N 3.12Å
202M62.5Low75.3Confident31 Ų3176.1 Ų76.115%0.15337%0.373CS..THydrogen-bonded Turntrans-945.6174.2-51.9-168.2-159.700114.5L160 I193 L196 L197 N200 D204L160-M202 HydrophobicContact CD1-CE 3.88Å; L160-M202 HydrophobicContact CD1-CG 4.15Å; L160-M202 HydrophobicContact CD1-SD 3.78Å; L160-M202 HydrophobicContact CD2-CE 3.69Å; L160-M202 HydrophobicContact CD2-SD 4.16Å; L160-M202 HydrophobicContact CG-CE 4.44Å; I193-M202 HydrophobicContact CG2-CE 4.19Å; L196-M202 HydrophobicContact CB-CE 3.39Å; L196-M202 HydrophobicContact CB-CG 4.47Å; L196-M202 HydrophobicContact CD1-CE 4.19Å; L196-M202 HydrophobicContact CG-CE 4.45Å; L197-M202 HydrophobicContact CD2-CB 4.23Å; L197-M202 HydrophobicContact CD2-CE 4.36Å; L197-M202 HydrophobicContact CD2-CG 4.33Å; L197-M202 HydrophobicContact CD2-SD 3.65Å; L197-M202 HydrophobicContact CG-CE 4.04Å; L197-M202 HydrophobicContact CG-SD 4Å; N200-M202 PolarHBondContact O-N 3.12Å; N200-M202 VanDerWaalsContact O-N 3.14Å; M202-D204 PolarHBondContact O-N 3.02Å
203K59.3Low74.1Confident154 Ų15481.8 Ų81.867%0.6740%0.401SS*.THydrogen-bonded Turntrans-73.6-15.5-177.6-77.1-170.6171.2168.20114.4N200N200-K203 HydrophobicContact CB-CD 4.04Å; N200-K203 HydrophobicContact CB-CG 4.37Å; N200-K203 WeakPolarHBondContact O-CB 3.36Å; N200-K203 PolarHBondContact O-N 3.03Å; N200-K203 WeakPolarHBondContact OD1-CE 3.14Å; N200-K203 PolarHBondContact OD1-NZ 3.08Å
204D50.2Low72.9Confident142 Ų14284.6 Ų84.676%0.75941%0.414SS*.THydrogen-bonded Turntrans-113.730.2-178.4-48.4-45000111.7M202M202-D204 PolarHBondContact O-N 3.02Å
205L53.9Low71.5Confident95 Ų9579.7 Ų79.750%0.49739%0.393SS..  trans-110.80-173.3-175.568.2000113.6V117 C157 L160 Q161V117-L205 HydrophobicContact CG1-CD1 4.23Å; C157-L205 HydrophobicContact CB-CD1 3.62Å; C157-L205 HydrophobicContact CB-CD2 4.49Å; L160-L205 HydrophobicContact CB-CD2 4.09Å; L160-L205 HydrophobicContact CD1-CD2 3.91Å; Q161-L205 PolarHBondContact NE2-OXT 3.4Å; Q161-L205 VanDerWaalsContact NE2-OXT 3.1Å

Retrieved 205 of 205 residues in 163.8 ms (Link to these results)